A0A3Q0KTH7_SCHMA Loading...

Eukaryotic translation initiation factor 2A AlphaSync

Functions in the early steps of protein synthesis of a small number of specific mRNAs. Acts by directing the binding of methionyl-tRNAi to 40S ribosomal subunits. In contrast to the eIF-2 complex, it binds methionyl-tRNAi to 40S subunits in a codon-dependent manner, whereas the eIF-2 complex binds methionyl-tRNAi to 40S subunits in a GTP-dependent manner.

AlphaFold DB , UniProt , Accession A0A3Q0KTH7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 581 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
1M87.7Confident91.1Very high63 Ų6314.9 Ų14.931%0.318%0.076SC..  0140.20-70.1167.8-172.400109.2E15 L16 L374 D376M1-E15 CarbonylContact O-C 3.52Å; M1-E15 WeakPolarHBondContact O-CA 3.45Å; M1-L16 HydrophobicContact CB-CB 4.28Å; M1-L16 PolarHBondContact N-O 2.83Å; M1-L16 PolarHBondContact O-N 3.16Å; M1-L16 HydrophobicContact SD-CD2 4.49Å; M1-L374 HydrophobicContact SD-CB 3.98Å; M1-L374 HydrophobicContact SD-CD1 3.96Å; M1-L374 HydrophobicContact SD-CG 4.49Å; M1-D376 HydrophobicContact CE-CB 3.36Å; M1-D376 VanDerWaalsContact CE-CG 3.47Å; M1-D376 VanDerWaalsContact CE-OD2 3.31Å; M1-D376 WeakPolarHBondContact CE-OD2 3.5Å
2V90.3Very high91.2Very high19 Ų1914.5 Ų14.512%0.1157%0.073CC..EExtended strand (participates in β ladder)trans-112138.4-173.7-173.60000111.6I13 Y14 M43 V58 I437V2-I13 HydrophobicContact CG1-CG2 3.69Å; V2-Y14 WeakPolarHBondContact CA-O 3.27Å; V2-Y14 WeakPolarHBondContact CG1-O 3.44Å; V2-M43 HydrophobicContact CB-CE 4.15Å; V2-M43 HydrophobicContact CG2-CE 4.26Å; V2-V58 HydrophobicContact CB-CG1 4.49Å; V2-V58 HydrophobicContact CG1-CG1 3.42Å; V2-V58 VanDerWaalsContact CG1-CG1 3.42Å; V2-I437 HydrophobicContact CG1-CD1 4.42Å; V2-I437 PolarHBondContact O-N 3.49Å
3F93.1Very high91.3Very high1 Ų113.7 Ų13.70%0.0047%0.069CC..EExtended strand (participates in β ladder)trans-146.2162.3173.864.1-88.7000110.5Y14 I22 I381 F395 V434 S435 V436F3-Y14 AromaticContact CD2-CD2 3.83Å; F3-Y14 HydrophobicContact CD2-CD2 3.83Å; F3-Y14 HydrophobicContact CD2-CG 4.29Å; F3-Y14 VanDerWaalsContact CE2-CB 3.5Å; F3-Y14 AromaticContact CE2-CD2 3.41Å; F3-Y14 HydrophobicContact CE2-CD2 3.41Å; F3-Y14 VanDerWaalsContact CE2-CD2 3.41Å; F3-Y14 HydrophobicContact CE2-CE2 4.25Å; F3-Y14 AromaticContact CE2-CG 3.62Å; F3-Y14 HydrophobicContact CE2-CG 3.62Å; F3-Y14 HydrophobicContact CZ-CD2 4.11Å; F3-Y14 AromaticContact CZ-CG 3.83Å; F3-Y14 HydrophobicContact CZ-CG 3.83Å; F3-Y14 PolarHBondContact N-O 3.17Å; F3-Y14 PolarHBondContact O-N 3.49Å; F3-I22 HydrophobicContact CZ-CG1 4.09Å; F3-I22 HydrophobicContact CZ-CG2 3.8Å; F3-I381 HydrophobicContact CB-CD1 4.15Å; F3-I381 HydrophobicContact CD1-CD1 4.05Å; F3-I381 HydrophobicContact CD2-CD1 4Å; F3-I381 HydrophobicContact CE1-CD1 4.46Å; F3-I381 HydrophobicContact CE2-CD1 4.4Å; F3-I381 HydrophobicContact CG-CD1 3.8Å; F3-F395 HydrophobicContact CE2-CD2 4.13Å; F3-F395 AromaticContact CE2-CE2 3.45Å; F3-F395 HydrophobicContact CE2-CE2 3.45Å; F3-F395 VanDerWaalsContact CE2-CE2 3.45Å; F3-F395 HydrophobicContact CE2-CZ 4.02Å; F3-F395 AromaticContact CZ-CE2 3.89Å; F3-F395 HydrophobicContact CZ-CE2 3.89Å; F3-V434 HydrophobicContact CD2-CG1 4.05Å; F3-S435 CarbonylContact C-O 3.28Å; F3-S435 VanDerWaalsContact CA-O 3.31Å; F3-S435 WeakPolarHBondContact CA-O 3.42Å; F3-S435 WeakPolarHBondContact CB-O 3.24Å; F3-V436 HydrophobicContact CB-CG2 4.49Å
4V93.4Very high91.5Very high1 Ų113.5 Ų13.51%0.0067%0.067CC..EExtended strand (participates in β ladder)trans-122.8138-172.8-178.80000109.1L11 R12 I13 L36 M45 V434 S435 I437V4-L11 HydrophobicContact CG1-CD1 3.39Å; V4-L11 HydrophobicContact CG1-CG 4.11Å; V4-R12 VanDerWaalsContact CA-O 3.32Å; V4-R12 WeakPolarHBondContact CA-O 3.25Å; V4-R12 WeakPolarHBondContact CG1-O 3.32Å; V4-I13 HydrophobicContact CG2-CG1 4.43Å; V4-L36 HydrophobicContact CG1-CD2 4.13Å; V4-M45 HydrophobicContact CB-SD 4.33Å; V4-M45 HydrophobicContact CG1-SD 3.75Å; V4-M45 HydrophobicContact CG2-SD 3.77Å; V4-V434 CarbonylContact O-C 3.47Å; V4-V434 VanDerWaalsContact O-CA 3.29Å; V4-V434 WeakPolarHBondContact O-CA 3.3Å; V4-S435 PolarHBondContact N-O 2.92Å; V4-S435 PolarHBondContact O-N 3.4Å; V4-I437 HydrophobicContact CG2-CD1 3.91Å; V4-I437 HydrophobicContact CG2-CG1 4.35Å
5S93.9Very high91.6Very high2 Ų217.9 Ų17.91%0.0149%0.088CC..EExtended strand (participates in β ladder)trans-114139.5164.681.10000110.5L11 R12 Y14 Q433S5-L11 WeakPolarHBondContact O-CA 3.31Å; S5-R12 PolarHBondContact N-O 2.99Å; S5-R12 PolarHBondContact O-N 3.39Å; S5-Y14 VanDerWaalsContact OG-CE2 3.31Å; S5-Y14 WeakPolarHBondContact OG-CE2 3.39Å; S5-Y14 PolarHBondContact OG-OH 3.34Å; S5-Q433 CarbonylContact C-O 3.54Å; S5-Q433 WeakPolarHBondContact CA-O 3.49Å
6W92.7Very high91.7Very high41 Ų4117.3 Ų17.316%0.1559%0.085CC..EExtended strand (participates in β ladder)trans-117.6120.9169.4177.534.7000109.6L11 K34 Y432 Q433W6-L11 HydrophobicContact CB-CD1 3.97Å; W6-L11 HydrophobicContact CG-CD1 4.48Å; W6-K34 VanDerWaalsContact CH2-O 3.27Å; W6-K34 WeakPolarHBondContact CH2-O 3.37Å; W6-Y432 HydrophobicContact CD2-CD2 4Å; W6-Y432 AromaticContact CE2-CD2 3.84Å; W6-Y432 HydrophobicContact CE3-CD2 4.45Å; W6-Y432 HydrophobicContact CG-CD2 4.34Å; W6-Y432 HydrophobicContact CZ2-CD2 4.17Å; W6-Y432 WeakPolarHBondContact O-CA 3.5Å; W6-Y432 WeakPolarHBondContact O-CB 3.31Å; W6-Y432 PolarHBondContact O-N 3Å; W6-Q433 HydrophobicContact CE3-CB 4.49Å; W6-Q433 PolarHBondContact N-O 3.44Å; W6-Q433 PolarHBondContact O-N 3.36Å; W6-Q433 VanDerWaalsContact O-N 3.12Å
7A92.3Very high91.6Very high2 Ų218.4 Ų18.42%0.0179%0.091CC..EExtended strand (participates in β ladder)trans-132.6172.1178.400000110.4D9 G10 E430 L431A7-D9 WeakPolarHBondContact CB-OD1 3.2Å; A7-D9 PolarHBondContact O-N 3.24Å; A7-G10 PolarHBondContact N-O 2.89Å; A7-G10 PolarHBondContact O-N 2.88Å; A7-E430 CarbonylContact C-O 3.57Å; A7-E430 WeakPolarHBondContact CA-O 3.01Å; A7-E430 VanDerWaalsContact CB-O 3.29Å; A7-E430 WeakPolarHBondContact CB-O 3.31Å; A7-L431 HydrophobicContact CB-CD1 4.13Å
8S89.2Confident91.4Very high18 Ų1827.8 Ų27.813%0.12614%0.135CC..SBendtrans-66.3-11.1-179.267.30000115.4S30 R413 H429 E430 Y432S8-S30 WeakPolarHBondContact O-CB 3.42Å; S8-S30 PolarHBondContact O-OG 3.02Å; S8-S30 VanDerWaalsContact O-OG 3.08Å; S8-R413 PolarHBondContact OG-NH2 3.35Å; S8-H429 WeakPolarHBondContact OG-CA 3.5Å; S8-H429 WeakPolarHBondContact OG-CB 2.95Å; S8-H429 PolarHBondContact OG-ND1 2.86Å; S8-E430 WeakPolarHBondContact CB-OE2 3.41Å; S8-E430 PolarHBondContact N-O 3.06Å; S8-E430 PolarHBondContact OG-N 3.03Å; S8-E430 PolarHBondContact OG-OE2 2.74Å; S8-E430 VanDerWaalsContact OG-OE2 3.07Å; S8-Y432 WeakPolarHBondContact CB-OH 3.42Å
9D88.5Confident91.3Very high12 Ų1232.9 Ų32.96%0.06416%0.163CC..SBendtrans-98.4-28.917353.2-4.1000112.9A7 R12 Y27 S29 S30 H429A7-D9 WeakPolarHBondContact CB-OD1 3.2Å; A7-D9 PolarHBondContact O-N 3.24Å; D9-R12 IonicContact OD1-CZ 3.98Å; D9-R12 IonicContact OD1-NH1 3.62Å; D9-R12 PolarHBondContact OD1-NH1 3Å; D9-R12 IonicContact OD1-NH2 3.76Å; D9-R12 IonicContact OD2-CZ 3.54Å; D9-R12 VanDerWaalsContact OD2-CZ 3.24Å; D9-R12 IonicContact OD2-NH1 3.58Å; D9-R12 PolarHBondContact OD2-NH1 2.98Å; D9-R12 IonicContact OD2-NH2 2.7Å; D9-R12 PolarHBondContact OD2-NH2 3.31Å; D9-Y27 PolarHBondContact O-OH 2.79Å; D9-S29 CarbonylContact O-C 3.52Å; D9-S29 WeakPolarHBondContact O-CA 3.3Å; D9-S30 VanDerWaalsContact O-CB 3.31Å; D9-S30 WeakPolarHBondContact O-CB 3.41Å; D9-S30 PolarHBondContact O-N 3Å; D9-H429 HydrophobicContact CB-CB 4.42Å; D9-H429 IonicContact OD2-CD2 3.08Å; D9-H429 IonicContact OD2-CG 3.6Å
10G89.6Confident91.2Very high0 Ų033.7 Ų33.70%017%0.165CC..EExtended strand (participates in β ladder)trans176.1-179.8173.800000116A7 K28 S30A7-G10 PolarHBondContact N-O 2.89Å; A7-G10 PolarHBondContact O-N 2.88Å; G10-K28 CarbonylContact C-O 3.47Å; G10-K28 WeakPolarHBondContact CA-O 3.32Å; G10-S30 VanDerWaalsContact N-CB 3.26Å
11L91.2Very high91.2Very high5 Ų537.3 Ų37.33%0.02618%0.182CC..EExtended strand (participates in β ladder)trans-93.4131.9165.1-17268.1000108.4V4 S5 W6 K28 V33 L36 M45 Y47V4-L11 HydrophobicContact CG1-CD1 3.39Å; V4-L11 HydrophobicContact CG1-CG 4.11Å; S5-L11 WeakPolarHBondContact O-CA 3.31Å; W6-L11 HydrophobicContact CB-CD1 3.97Å; W6-L11 HydrophobicContact CG-CD1 4.48Å; L11-K28 HydrophobicContact CB-CB 4.45Å; L11-K28 PolarHBondContact N-O 2.9Å; L11-K28 PolarHBondContact O-N 2.72Å; L11-V33 HydrophobicContact CB-CG2 4.43Å; L11-L36 HydrophobicContact CD1-CD1 3.96Å; L11-L36 HydrophobicContact CD1-CD2 4.05Å; L11-L36 HydrophobicContact CD2-CD1 4.13Å; L11-M45 HydrophobicContact CD2-CE 3.53Å; L11-M45 HydrophobicContact CD2-SD 4.1Å; L11-M45 HydrophobicContact CG-CE 4.37Å; L11-Y47 HydrophobicContact CD2-CD1 3.94Å; L11-Y47 HydrophobicContact CD2-CE1 4.42Å; L11-Y47 HydrophobicContact CD2-CG 4.22Å
12R92.4Very high91.5Very high10 Ų1034.6 Ų34.64%0.03817%0.169CC..EExtended strand (participates in β ladder)trans-127.9142.5177-69.8174.8179.888.3-9.4110.6V4 S5 D9 Y14 Q24 E26 Y27 E411V4-R12 VanDerWaalsContact CA-O 3.32Å; V4-R12 WeakPolarHBondContact CA-O 3.25Å; V4-R12 WeakPolarHBondContact CG1-O 3.32Å; S5-R12 PolarHBondContact N-O 2.99Å; S5-R12 PolarHBondContact O-N 3.39Å; D9-R12 IonicContact OD1-CZ 3.98Å; D9-R12 IonicContact OD1-NH1 3.62Å; D9-R12 PolarHBondContact OD1-NH1 3Å; D9-R12 IonicContact OD1-NH2 3.76Å; D9-R12 IonicContact OD2-CZ 3.54Å; D9-R12 VanDerWaalsContact OD2-CZ 3.24Å; D9-R12 IonicContact OD2-NH1 3.58Å; D9-R12 PolarHBondContact OD2-NH1 2.98Å; D9-R12 IonicContact OD2-NH2 2.7Å; D9-R12 PolarHBondContact OD2-NH2 3.31Å; R12-Y14 HydrophobicContact CB-CD2 4.34Å; R12-Y14 HydrophobicContact CB-CE1 4.39Å; R12-Y14 HydrophobicContact CB-CE2 3.55Å; R12-Y14 WeakPolarHBondContact CD-OH 3.08Å; R12-Q24 VanDerWaalsContact CD-OE1 3.3Å; R12-E26 VanDerWaalsContact CA-O 3.31Å; R12-E26 WeakPolarHBondContact CA-O 3.25Å; R12-Y27 HydrophobicContact CG-CD2 3.62Å; R12-Y27 HydrophobicContact CG-CE2 4.5Å; R12-Y27 HydrophobicContact CG-CG 4.43Å; R12-E411 IonicContact CZ-OE1 2.73Å; R12-E411 IonicContact NE-OE1 2.67Å; R12-E411 IonicContact NH2-OE1 2.8Å; R12-E411 PolarHBondContact NH2-OE1 3.06Å; R12-E411 IonicContact NH2-OE2 3.89Å
13I92.9Very high91.6Very high4 Ų436.9 Ų36.92%0.02118%0.179CC..EExtended strand (participates in β ladder)trans-109.7132.4172.8-56.2-178.2000107.4V2 V4 L25 E26 M45 L56 V58V2-I13 HydrophobicContact CG1-CG2 3.69Å; V4-I13 HydrophobicContact CG2-CG1 4.43Å; I13-L25 HydrophobicContact CG2-CB 4.5Å; I13-L25 HydrophobicContact CG2-CD1 4.39Å; I13-L25 PolarHBondContact O-N 3.47Å; I13-E26 HydrophobicContact CB-CB 4.12Å; I13-E26 HydrophobicContact CD1-CB 4.34Å; I13-E26 WeakPolarHBondContact CD1-OE2 3.26Å; I13-E26 HydrophobicContact CG1-CB 4.32Å; I13-E26 PolarHBondContact N-O 3.5Å; I13-E26 PolarHBondContact O-N 3.31Å; I13-M45 HydrophobicContact CD1-CE 4.05Å; I13-M45 HydrophobicContact CG1-CE 4.44Å; I13-L56 HydrophobicContact CD1-CD2 3.38Å; I13-V58 HydrophobicContact CD1-CG1 4.15Å; I13-V58 HydrophobicContact CG2-CG1 3.77Å
14Y94.1Very high91.6Very high11 Ų1140.6 Ų40.64%0.04320%0.197CC..EExtended strand (participates in β ladder)trans-124.4148.5-179.3-58.5-84.4000111.4V2 F3 S5 R12 I22 I23 Q24 F395V2-Y14 WeakPolarHBondContact CA-O 3.27Å; V2-Y14 WeakPolarHBondContact CG1-O 3.44Å; F3-Y14 AromaticContact CD2-CD2 3.83Å; F3-Y14 HydrophobicContact CD2-CD2 3.83Å; F3-Y14 HydrophobicContact CD2-CG 4.29Å; F3-Y14 VanDerWaalsContact CE2-CB 3.5Å; F3-Y14 AromaticContact CE2-CD2 3.41Å; F3-Y14 HydrophobicContact CE2-CD2 3.41Å; F3-Y14 VanDerWaalsContact CE2-CD2 3.41Å; F3-Y14 HydrophobicContact CE2-CE2 4.25Å; F3-Y14 AromaticContact CE2-CG 3.62Å; F3-Y14 HydrophobicContact CE2-CG 3.62Å; F3-Y14 HydrophobicContact CZ-CD2 4.11Å; F3-Y14 AromaticContact CZ-CG 3.83Å; F3-Y14 HydrophobicContact CZ-CG 3.83Å; F3-Y14 PolarHBondContact N-O 3.17Å; F3-Y14 PolarHBondContact O-N 3.49Å; S5-Y14 VanDerWaalsContact OG-CE2 3.31Å; S5-Y14 WeakPolarHBondContact OG-CE2 3.39Å; S5-Y14 PolarHBondContact OG-OH 3.34Å; R12-Y14 HydrophobicContact CB-CD2 4.34Å; R12-Y14 HydrophobicContact CB-CE1 4.39Å; R12-Y14 HydrophobicContact CB-CE2 3.55Å; R12-Y14 WeakPolarHBondContact CD-OH 3.08Å; Y14-I22 HydrophobicContact CD1-CG2 3.44Å; Y14-I22 VanDerWaalsContact CD1-CG2 3.44Å; Y14-I22 HydrophobicContact CE1-CG2 4.03Å; Y14-I22 HydrophobicContact CG-CG2 3.95Å; Y14-I23 CarbonylContact C-O 3.6Å; Y14-I23 WeakPolarHBondContact CA-O 3.49Å; Y14-I23 WeakPolarHBondContact CB-O 3.44Å; Y14-Q24 HydrophobicContact CD1-CB 3.91Å; Y14-Q24 HydrophobicContact CD1-CG 4.29Å; Y14-Q24 HydrophobicContact CE1-CB 3.84Å; Y14-Q24 HydrophobicContact CE1-CG 3.99Å; Y14-F395 HydrophobicContact CD2-CZ 4.21Å; Y14-F395 HydrophobicContact CE1-CZ 4.23Å; Y14-F395 HydrophobicContact CE2-CE1 4.22Å; Y14-F395 AromaticContact CE2-CZ 3.66Å; Y14-F395 HydrophobicContact CE2-CZ 3.66Å; Y14-F395 AromaticContact CZ-CZ 3.66Å
15E92.6Very high91.3Very high80 Ų8043 Ų4337%0.37421%0.209SC..EExtended strand (participates in β ladder)trans-113.8138.9165.1175.4169.4-130.500110M1 I23 L25M1-E15 CarbonylContact O-C 3.52Å; M1-E15 WeakPolarHBondContact O-CA 3.45Å; E15-I23 PolarHBondContact N-O 2.77Å; E15-I23 PolarHBondContact O-N 3.09Å; E15-L25 HydrophobicContact CB-CD1 3.66Å; E15-L25 HydrophobicContact CB-CD2 4.03Å; E15-L25 HydrophobicContact CB-CG 3.86Å
16L92.7Very high90.9Very high8 Ų844.6 Ų44.64%0.04222%0.217CC..EExtended strand (participates in β ladder)trans-90.6116.5166.6-166.767.4000108.9M1 K20 I22 L374 I397M1-L16 HydrophobicContact CB-CB 4.28Å; M1-L16 PolarHBondContact N-O 2.83Å; M1-L16 PolarHBondContact O-N 3.16Å; M1-L16 HydrophobicContact SD-CD2 4.49Å; L16-K20 HydrophobicContact CD1-CB 4.23Å; L16-K20 VanDerWaalsContact CD1-O 3.31Å; L16-K20 WeakPolarHBondContact CD1-O 3.18Å; L16-K20 HydrophobicContact CD2-CD 3.69Å; L16-K20 HydrophobicContact CG-CB 4.46Å; L16-K20 HydrophobicContact CG-CD 4.14Å; L16-I22 HydrophobicContact CD1-CG1 4.45Å; L16-L374 HydrophobicContact CD2-CD1 3.43Å; L16-L374 VanDerWaalsContact CD2-CD1 3.43Å; L16-I397 HydrophobicContact CD1-CD1 4.36Å; L16-I397 HydrophobicContact CD1-CG1 3.81Å; L16-I397 HydrophobicContact CD2-CG2 4.33Å
17N90.9Very high90.5Very high36 Ų3647.6 Ų47.619%0.19323%0.228CC..  trans-75.1176.8176.173.26.1000111.9N19 K20 E21 I23N17-N19 PolarHBondContact O-N 3.36Å; N17-N19 VanDerWaalsContact OD1-C 3.31Å; N17-N19 WeakPolarHBondContact OD1-CA 3.29Å; N17-N19 WeakPolarHBondContact OD1-CB 3.25Å; N17-N19 PolarHBondContact OD1-N 2.82Å; N17-K20 PolarHBondContact O-N 3.27Å; N17-K20 PolarHBondContact OD1-N 3.39Å; N17-E21 PolarHBondContact N-O 3.1Å; N17-E21 PolarHBondContact ND2-OE2 3.23Å; N17-E21 VanDerWaalsContact ND2-OE2 3.15Å; N17-E21 WeakPolarHBondContact OD1-CB 3.35Å; N17-E21 PolarHBondContact OD1-N 2.64Å; N17-E21 PolarHBondContact OD1-O 2.61Å; N17-I23 HydrophobicContact CB-CD1 3.7Å; N17-I23 HydrophobicContact CB-CG1 4.35Å
18E88.1Confident89.9Confident187 Ų18749.2 Ų49.287%0.87424%0.235SC*.THydrogen-bonded Turntrans-58.5-33.7178.6-63.1-176170.200112.6K20E18-K20 PolarHBondContact O-N 3.17Å
19N89.2Confident89.3Confident126 Ų12651.1 Ų51.167%0.67425%0.249SC*.THydrogen-bonded Turntrans-79.35.2176.9-63.5-26.6000113.8N17 E21N17-N19 PolarHBondContact O-N 3.36Å; N17-N19 VanDerWaalsContact OD1-C 3.31Å; N17-N19 WeakPolarHBondContact OD1-CA 3.29Å; N17-N19 WeakPolarHBondContact OD1-CB 3.25Å; N17-N19 PolarHBondContact OD1-N 2.82Å; N19-E21 HydrophobicContact CB-CG 4.15Å; N19-E21 PolarHBondContact O-N 3.45Å
20K89.6Confident88.1Confident47 Ų4751.6 Ų51.620%0.20425%0.253CS..  trans59.727.8-177.5-48.3-66.3177.1173.40113.6L16 N17 E18 D376 H379 L405 S406L16-K20 HydrophobicContact CD1-CB 4.23Å; L16-K20 VanDerWaalsContact CD1-O 3.31Å; L16-K20 WeakPolarHBondContact CD1-O 3.18Å; L16-K20 HydrophobicContact CD2-CD 3.69Å; L16-K20 HydrophobicContact CG-CB 4.46Å; L16-K20 HydrophobicContact CG-CD 4.14Å; N17-K20 PolarHBondContact O-N 3.27Å; N17-K20 PolarHBondContact OD1-N 3.39Å; E18-K20 PolarHBondContact O-N 3.17Å; K20-D376 IonicContact NZ-OD2 3.93Å; K20-D376 PolarHBondContact NZ-OD2 2.99Å; K20-D376 VanDerWaalsContact NZ-OD2 3.08Å; K20-H379 WeakPolarHBondContact CE-CE1 3.17Å; K20-L405 HydrophobicContact CB-CB 4.29Å; K20-L405 HydrophobicContact CB-CD1 3.66Å; K20-L405 HydrophobicContact CG-CD1 3.83Å; K20-S406 PolarHBondContact O-OG 3.49Å
21E91.8Very high86.8Confident110 Ų11056.6 Ų56.651%0.51428%0.284SS..  trans-88.1141.5169.2-56.1178.7139.300110.4N17 N19 I23N17-E21 PolarHBondContact N-O 3.1Å; N17-E21 PolarHBondContact ND2-OE2 3.23Å; N17-E21 VanDerWaalsContact ND2-OE2 3.15Å; N17-E21 WeakPolarHBondContact OD1-CB 3.35Å; N17-E21 PolarHBondContact OD1-N 2.64Å; N17-E21 PolarHBondContact OD1-O 2.61Å; N19-E21 HydrophobicContact CB-CG 4.15Å; N19-E21 PolarHBondContact O-N 3.45Å; E21-I23 PolarHBondContact O-N 3.42Å
22I94Very high85.4Confident7 Ų758.8 Ų58.84%0.03630%0.297CS..EExtended strand (participates in β ladder)trans-82.1113.9179.8-61.4159.8000108.5F3 Y14 L16 F395 I397 S406 R408F3-I22 HydrophobicContact CZ-CG1 4.09Å; F3-I22 HydrophobicContact CZ-CG2 3.8Å; Y14-I22 HydrophobicContact CD1-CG2 3.44Å; Y14-I22 VanDerWaalsContact CD1-CG2 3.44Å; Y14-I22 HydrophobicContact CE1-CG2 4.03Å; Y14-I22 HydrophobicContact CG-CG2 3.95Å; L16-I22 HydrophobicContact CD1-CG1 4.45Å; I22-F395 HydrophobicContact CD1-CD2 4.24Å; I22-F395 HydrophobicContact CD1-CE2 3.81Å; I22-F395 HydrophobicContact CG2-CE2 4.28Å; I22-I397 HydrophobicContact CD1-CG1 4.06Å; I22-I397 HydrophobicContact CG1-CD1 4.49Å; I22-I397 HydrophobicContact CG1-CG1 3.94Å; I22-S406 WeakPolarHBondContact CD1-OG 3.33Å; I22-R408 HydrophobicContact CB-CG 4.18Å; I22-R408 HydrophobicContact CD1-CB 4.33Å; I22-R408 HydrophobicContact CD1-CG 3.61Å; I22-R408 HydrophobicContact CG2-CG 4.08Å; I22-R408 PolarHBondContact O-NH2 2.75Å
23I92.7Very high84.7Confident67 Ų6758.8 Ų58.834%0.34430%0.298SS..EExtended strand (participates in β ladder)trans-102.6127173.8-56.9-176.6000108.3Y14 E15 N17 E21 L25Y14-I23 CarbonylContact C-O 3.6Å; Y14-I23 WeakPolarHBondContact CA-O 3.49Å; Y14-I23 WeakPolarHBondContact CB-O 3.44Å; E15-I23 PolarHBondContact N-O 2.77Å; E15-I23 PolarHBondContact O-N 3.09Å; N17-I23 HydrophobicContact CB-CD1 3.7Å; N17-I23 HydrophobicContact CB-CG1 4.35Å; E21-I23 PolarHBondContact O-N 3.42Å; I23-L25 HydrophobicContact CG2-CD2 4.25Å
24Q91.6Very high84.2Confident79 Ų7963 Ų6337%0.36932%0.317SS..EExtended strand (participates in β ladder)trans-83.7121.6173.1-175.5179.9-65.100109.1R12 Y14R12-Q24 VanDerWaalsContact CD-OE1 3.3Å; Y14-Q24 HydrophobicContact CD1-CB 3.91Å; Y14-Q24 HydrophobicContact CD1-CG 4.29Å; Y14-Q24 HydrophobicContact CE1-CB 3.84Å; Y14-Q24 HydrophobicContact CE1-CG 3.99Å
25L87.9Confident83.9Confident50 Ų5063.3 Ų63.326%0.26232%0.32SS..EExtended strand (participates in β ladder)trans-94.1-38.9179.6-61.7-177000112.5I13 E15 I23I13-L25 HydrophobicContact CG2-CB 4.5Å; I13-L25 HydrophobicContact CG2-CD1 4.39Å; I13-L25 PolarHBondContact O-N 3.47Å; E15-L25 HydrophobicContact CB-CD1 3.66Å; E15-L25 HydrophobicContact CB-CD2 4.03Å; E15-L25 HydrophobicContact CB-CG 3.86Å; I23-L25 HydrophobicContact CG2-CD2 4.25Å
26E84.5Confident83.8Confident37 Ų3760.3 Ų60.317%0.17331%0.306CS..EExtended strand (participates in β ladder)trans-146.2150.5-175.8-159.7-177.7168.400111.1R12 I13 K28 R61R12-E26 VanDerWaalsContact CA-O 3.31Å; R12-E26 WeakPolarHBondContact CA-O 3.25Å; I13-E26 HydrophobicContact CB-CB 4.12Å; I13-E26 HydrophobicContact CD1-CB 4.34Å; I13-E26 WeakPolarHBondContact CD1-OE2 3.26Å; I13-E26 HydrophobicContact CG1-CB 4.32Å; I13-E26 PolarHBondContact N-O 3.5Å; I13-E26 PolarHBondContact O-N 3.31Å; E26-K28 WeakPolarHBondContact OE1-CE 3.37Å; E26-K28 IonicContact OE1-NZ 3.02Å; E26-R61 HydrophobicContact CB-CG 4.34Å; E26-R61 VanDerWaalsContact OE2-CB 3.27Å; E26-R61 WeakPolarHBondContact OE2-CB 3.28Å; E26-R61 WeakPolarHBondContact OE2-CG 3.4Å
27Y84.1Confident83.9Confident103 Ų10360.8 Ų60.840%0.40431%0.31SS..EExtended strand (participates in β ladder)trans-136.9128.4172.1169.2-113.3000110.4D9 R12D9-Y27 PolarHBondContact O-OH 2.79Å; R12-Y27 HydrophobicContact CG-CD2 3.62Å; R12-Y27 HydrophobicContact CG-CE2 4.5Å; R12-Y27 HydrophobicContact CG-CG 4.43Å
28K81.6Confident83.9Confident36 Ų3660.9 Ų60.916%0.15731%0.31CS..EExtended strand (participates in β ladder)trans-123123.4171.7-61.5-163-178.7-159.80110G10 L11 E26 Y47G10-K28 CarbonylContact C-O 3.47Å; G10-K28 WeakPolarHBondContact CA-O 3.32Å; L11-K28 HydrophobicContact CB-CB 4.45Å; L11-K28 PolarHBondContact N-O 2.9Å; L11-K28 PolarHBondContact O-N 2.72Å; E26-K28 WeakPolarHBondContact OE1-CE 3.37Å; E26-K28 IonicContact OE1-NZ 3.02Å; K28-Y47 HydrophobicContact CD-CE1 4.2Å; K28-Y47 VanDerWaalsContact CD-OH 3.29Å; K28-Y47 WeakPolarHBondContact CD-OH 3.37Å; K28-Y47 PolarHBondContact NZ-OH 3.25Å
29S75.5Confident84.1Confident59 Ų5952 Ų5241%0.41327%0.269SS..EExtended strand (participates in β ladder)trans-63.6140.6-175.8178.70000114.2D9 T31 T32D9-S29 CarbonylContact O-C 3.52Å; D9-S29 WeakPolarHBondContact O-CA 3.3Å; S29-T31 PolarHBondContact O-N 2.79Å; S29-T32 PolarHBondContact O-OG1 3.09Å
30S64.1Low83.8Confident21 Ų2153.9 Ų53.915%0.14727%0.271CS..THydrogen-bonded Turntrans-77.2-8.2-170.21730000114.9S8 D9 G10 T32 V33S8-S30 WeakPolarHBondContact O-CB 3.42Å; S8-S30 PolarHBondContact O-OG 3.02Å; S8-S30 VanDerWaalsContact O-OG 3.08Å; D9-S30 VanDerWaalsContact O-CB 3.31Å; D9-S30 WeakPolarHBondContact O-CB 3.41Å; D9-S30 PolarHBondContact O-N 3Å; G10-S30 VanDerWaalsContact N-CB 3.26Å; S30-T32 PolarHBondContact O-N 2.85Å; S30-V33 PolarHBondContact O-N 2.85Å
31T60.9Low83.4Confident106 Ų10653.6 Ų53.665%0.6528%0.275SS*.THydrogen-bonded Turntrans-56.1-14.217449.70000111.9S29 Q50S29-T31 PolarHBondContact O-N 2.79Å; T31-Q50 WeakPolarHBondContact O-CG 3.4Å; T31-Q50 PolarHBondContact O-NE2 2.95Å
32T62.1Low83Confident50 Ų5049.3 Ų49.331%0.30726%0.257SS..SBendtrans-101.6-43.1-179.459.30000114.7S29 S30 K34 D49 Q50S29-T32 PolarHBondContact O-OG1 3.09Å; S30-T32 PolarHBondContact O-N 2.85Å; T32-K34 PolarHBondContact O-N 2.89Å; T32-D49 HydrophobicContact CG2-CB 4.44Å; T32-D49 CarbonylContact O-C 3.52Å; T32-D49 WeakPolarHBondContact O-CA 2.97Å; T32-Q50 PolarHBondContact O-N 3.21Å
33V77.7Confident82.7Confident10 Ų1050.5 Ų50.56%0.06126%0.263CS..  trans-84.7115.7-159.5-1730000114.6L11 S30 Y47 L48L11-V33 HydrophobicContact CB-CG2 4.43Å; S30-V33 PolarHBondContact O-N 2.85Å; V33-Y47 HydrophobicContact CG1-CD2 4.45Å; V33-Y47 HydrophobicContact CG2-CD2 3.89Å; V33-Y47 HydrophobicContact CG2-CE2 4.3Å; V33-L48 CarbonylContact C-O 3.45Å; V33-L48 VanDerWaalsContact CA-O 3.24Å; V33-L48 WeakPolarHBondContact CA-O 3.36Å
34K82.3Confident82.6Confident94 Ų9449.4 Ų49.441%0.40925%0.254SS..  trans-98.1-32.4178.2-68173.6-178.2161.60114.4W6 T32 L48 Q50W6-K34 VanDerWaalsContact CH2-O 3.27Å; W6-K34 WeakPolarHBondContact CH2-O 3.37Å; T32-K34 PolarHBondContact O-N 2.89Å; K34-L48 HydrophobicContact CB-CB 4.24Å; K34-L48 PolarHBondContact N-O 3.28Å; K34-Q50 PolarHBondContact NZ-O 2.86Å; K34-Q50 VanDerWaalsContact NZ-O 3.09Å
35C88.3Confident82.6Confident16 Ų1645.7 Ų45.711%0.10824%0.237CC..EExtended strand (participates in β ladder)trans-155.9149.4-174.1-169.30000110.1Y47 L48 I75C35-Y47 CarbonylContact O-C 3.53Å; C35-Y47 VanDerWaalsContact O-CA 3.25Å; C35-Y47 WeakPolarHBondContact O-CA 3.38Å; C35-L48 HydrophobicContact CB-CB 4.27Å; C35-L48 HydrophobicContact CB-CD1 3.84Å; C35-L48 HydrophobicContact CB-CG 4.11Å; C35-L48 PolarHBondContact O-N 2.76Å; C35-I75 HydrophobicContact CB-CG2 4.41Å
36L91.5Very high82.9Confident18 Ų1843.3 Ų43.39%0.09423%0.225CC..EExtended strand (participates in β ladder)trans-126.9140.1-179.5-17268.6000109.8V4 L11 I38 M45 G46V4-L36 HydrophobicContact CG1-CD2 4.13Å; L11-L36 HydrophobicContact CD1-CD1 3.96Å; L11-L36 HydrophobicContact CD1-CD2 4.05Å; L11-L36 HydrophobicContact CD2-CD1 4.13Å; L36-I38 HydrophobicContact CD2-CD1 4.43Å; L36-M45 HydrophobicContact CD1-CG 3.51Å; L36-M45 HydrophobicContact CD1-SD 3.55Å; L36-M45 VanDerWaalsContact CD1-SD 3.55Å; L36-M45 HydrophobicContact CG-CG 4.38Å; L36-M45 HydrophobicContact CG-SD 4.47Å; L36-G46 CarbonylContact C-O 3.53Å
37S93.6Very high83.2Confident17 Ų1742.2 Ų42.212%0.11922%0.219CC..EExtended strand (participates in β ladder)trans-138.4128.2169.2179.70000109.4G46 L77S37-G46 PolarHBondContact N-O 2.85Å; S37-G46 PolarHBondContact O-N 2.92Å; S37-L77 PolarHBondContact OG-N 2.99Å
38I92.2Very high83.6Confident39 Ų3937.3 Ų37.320%0.220%0.2CC..EExtended strand (participates in β ladder)trans-104.3132.9177.8-64.6167.7000108.6L36 M45 S435 I437L36-I38 HydrophobicContact CD2-CD1 4.43Å; I38-M45 HydrophobicContact CG1-CG 4.12Å; I38-S435 VanDerWaalsContact CD1-CB 3.43Å; I38-I437 HydrophobicContact CG2-CG1 4.2Å
39A91.7Very high83.8Confident1 Ų136.9 Ų36.91%0.00820%0.199CC..  trans-74.2132.1171.800000109S42 W44 L77 P79A39-S42 WeakPolarHBondContact CB-OG 3.35Å; A39-W44 HydrophobicContact CB-CB 4.2Å; A39-W44 WeakPolarHBondContact CB-O 3.5Å; A39-W44 PolarHBondContact N-O 2.79Å; A39-L77 HydrophobicContact CB-CD1 4.37Å; A39-P79 CarbonylContact C-O 3.55Å; A39-P79 WeakPolarHBondContact CB-O 3.33Å
40K82.6Confident84Confident165 Ų16539.3 Ų39.372%0.71720%0.204SC*.SBendtrans-79.9-29.8-172.5-68.6-174.4178.6-177.60113.9P79K40-P79 HydrophobicContact CB-CB 4.45Å; K40-P79 PolarHBondContact N-O 3.22Å
41S81.4Confident85.2Confident41 Ų4141.8 Ų41.829%0.28722%0.218SC..SBendtrans-110.8-3.4-173.776.20000113P79 C80S41-P79 PolarHBondContact N-O 3.12Å; S41-P79 PolarHBondContact OG-O 3.17Å; S41-C80 VanDerWaalsContact OG-CA 3.31Å; S41-C80 WeakPolarHBondContact OG-CA 3.43Å; S41-C80 PolarHBondContact OG-N 2.94Å
42S83.5Confident86.6Confident20 Ų2037.1 Ų37.114%0.1419%0.19CC..SBendtrans-124.7159.9170.462.10000109.9A39 W44 P79 C80A39-S42 WeakPolarHBondContact CB-OG 3.35Å; S42-W44 PolarHBondContact O-N 2.87Å; S42-P79 PolarHBondContact N-O 2.84Å; S42-C80 WeakPolarHBondContact CB-O 3.45Å; S42-C80 VanDerWaalsContact OG-C 3.24Å; S42-C80 PolarHBondContact OG-O 3.07Å
43M86.2Confident88.1Confident32 Ų3234.8 Ų34.816%0.15818%0.176CC..SBendtrans-81.235.2174.9-65.9-65.6-66.800111V2 V58 N59 I437V2-M43 HydrophobicContact CB-CE 4.15Å; V2-M43 HydrophobicContact CG2-CE 4.26Å; M43-V58 WeakPolarHBondContact O-CB 3.26Å; M43-V58 WeakPolarHBondContact O-CG2 3.38Å; M43-V58 PolarHBondContact O-N 2.9Å; M43-N59 WeakPolarHBondContact CB-ND2 3.46Å; M43-N59 WeakPolarHBondContact CE-OD1 3.5Å; M43-N59 WeakPolarHBondContact CG-ND2 3.34Å; M43-N59 WeakPolarHBondContact CG-OD1 3.38Å; M43-I437 HydrophobicContact CE-CB 4.3Å; M43-I437 HydrophobicContact CE-CG2 3.79Å; M43-I437 HydrophobicContact SD-CB 4.43Å; M43-I437 HydrophobicContact SD-CG2 3.39Å; M43-I437 WeakPolarHBondContact SD-CG2 3.36Å
44W91.3Very high88.8Confident43 Ų4334.5 Ų34.516%0.16317%0.174CC..EExtended strand (participates in β ladder)trans-107.1148.9-175.5-66.1-6.9000112.1A39 S42 L55 L56 D57 K82 I109A39-W44 HydrophobicContact CB-CB 4.2Å; A39-W44 WeakPolarHBondContact CB-O 3.5Å; A39-W44 PolarHBondContact N-O 2.79Å; S42-W44 PolarHBondContact O-N 2.87Å; W44-L55 HydrophobicContact CB-CD1 4.09Å; W44-L55 HydrophobicContact CD2-CD2 4.41Å; W44-L55 HydrophobicContact CE3-CD1 4.49Å; W44-L55 HydrophobicContact CE3-CD2 3.85Å; W44-L55 HydrophobicContact CZ3-CD2 4.2Å; W44-L56 WeakPolarHBondContact CA-O 3.48Å; W44-D57 PolarHBondContact NE1-OD2 2.92Å; W44-K82 HydrophobicContact CH2-CG 4.23Å; W44-K82 HydrophobicContact CZ3-CG 3.74Å; W44-I109 HydrophobicContact CE3-CD1 4.47Å; W44-I109 HydrophobicContact CH2-CD1 3.47Å; W44-I109 VanDerWaalsContact CH2-CD1 3.47Å; W44-I109 HydrophobicContact CH2-CG1 4.16Å; W44-I109 HydrophobicContact CZ2-CD1 4.35Å; W44-I109 HydrophobicContact CZ3-CD1 3.55Å; W44-I109 HydrophobicContact CZ3-CG1 4.18Å
45M92.5Very high89.4Confident1 Ų130 Ų301%0.00516%0.155CC..EExtended strand (participates in β ladder)trans-138.2126.4-177.8179.1-178.266.700109.6V4 L11 I13 L36 I38 L56 V58V4-M45 HydrophobicContact CB-SD 4.33Å; V4-M45 HydrophobicContact CG1-SD 3.75Å; V4-M45 HydrophobicContact CG2-SD 3.77Å; L11-M45 HydrophobicContact CD2-CE 3.53Å; L11-M45 HydrophobicContact CD2-SD 4.1Å; L11-M45 HydrophobicContact CG-CE 4.37Å; I13-M45 HydrophobicContact CD1-CE 4.05Å; I13-M45 HydrophobicContact CG1-CE 4.44Å; L36-M45 HydrophobicContact CD1-CG 3.51Å; L36-M45 HydrophobicContact CD1-SD 3.55Å; L36-M45 VanDerWaalsContact CD1-SD 3.55Å; L36-M45 HydrophobicContact CG-CG 4.38Å; L36-M45 HydrophobicContact CG-SD 4.47Å; I38-M45 HydrophobicContact CG1-CG 4.12Å; M45-L56 HydrophobicContact CE-CB 4.4Å; M45-L56 HydrophobicContact CE-CD2 3.61Å; M45-L56 PolarHBondContact N-O 2.8Å; M45-L56 PolarHBondContact O-N 3.18Å; M45-V58 HydrophobicContact CB-CG2 3.63Å; M45-V58 HydrophobicContact CE-CG2 4.37Å
46G92.8Very high89.6Confident0 Ų029.2 Ų29.20%015%0.15CC..EExtended strand (participates in β ladder)trans-101133.1174.200000110L36 S37 V54 L77L36-G46 CarbonylContact C-O 3.53Å; S37-G46 PolarHBondContact N-O 2.85Å; S37-G46 PolarHBondContact O-N 2.92Å; G46-V54 CarbonylContact C-O 3.56Å; G46-V54 VanDerWaalsContact CA-O 3.29Å; G46-V54 WeakPolarHBondContact CA-O 3.4Å; G46-L77 VanDerWaalsContact N-CD1 3.33Å
47Y92.1Very high89.6Confident14 Ų1429.8 Ų29.86%0.05515%0.152CC..EExtended strand (participates in β ladder)trans-134.2149.5170.166.6-92.3000111.3L11 K28 V33 C35 D49 V54L11-Y47 HydrophobicContact CD2-CD1 3.94Å; L11-Y47 HydrophobicContact CD2-CE1 4.42Å; L11-Y47 HydrophobicContact CD2-CG 4.22Å; K28-Y47 HydrophobicContact CD-CE1 4.2Å; K28-Y47 VanDerWaalsContact CD-OH 3.29Å; K28-Y47 WeakPolarHBondContact CD-OH 3.37Å; K28-Y47 PolarHBondContact NZ-OH 3.25Å; V33-Y47 HydrophobicContact CG1-CD2 4.45Å; V33-Y47 HydrophobicContact CG2-CD2 3.89Å; V33-Y47 HydrophobicContact CG2-CE2 4.3Å; C35-Y47 CarbonylContact O-C 3.53Å; C35-Y47 VanDerWaalsContact O-CA 3.25Å; C35-Y47 WeakPolarHBondContact O-CA 3.38Å; Y47-D49 HydrophobicContact CE2-CB 4.46Å; Y47-V54 HydrophobicContact CD1-CB 4.22Å; Y47-V54 HydrophobicContact CD2-CB 4.3Å; Y47-V54 HydrophobicContact CE1-CB 3.7Å; Y47-V54 HydrophobicContact CE1-CG1 3.73Å; Y47-V54 HydrophobicContact CE2-CB 3.78Å; Y47-V54 HydrophobicContact CE2-CG1 4.45Å; Y47-V54 HydrophobicContact CE2-CG2 3.83Å; Y47-V54 VanDerWaalsContact CZ-CB 3.45Å; Y47-V54 PolarHBondContact N-O 2.98Å; Y47-V54 PolarHBondContact O-N 3.28Å; Y47-V54 WeakPolarHBondContact OH-CG1 3.41Å
48L91Very high89.4Confident0 Ų029 Ų290%015%0.147CC..EExtended strand (participates in β ladder)trans-91.9119.5173.6-67.3-175000109.2V33 K34 C35 V53 A72 R74 I75V33-L48 CarbonylContact C-O 3.45Å; V33-L48 VanDerWaalsContact CA-O 3.24Å; V33-L48 WeakPolarHBondContact CA-O 3.36Å; K34-L48 HydrophobicContact CB-CB 4.24Å; K34-L48 PolarHBondContact N-O 3.28Å; C35-L48 HydrophobicContact CB-CB 4.27Å; C35-L48 HydrophobicContact CB-CD1 3.84Å; C35-L48 HydrophobicContact CB-CG 4.11Å; C35-L48 PolarHBondContact O-N 2.76Å; L48-V53 HydrophobicContact CD2-CB 4.07Å; L48-V53 HydrophobicContact CD2-CG1 4.33Å; L48-V53 HydrophobicContact CD2-CG2 3.19Å; L48-A72 HydrophobicContact CD1-CB 3.94Å; L48-A72 HydrophobicContact CD2-CB 3.81Å; L48-R74 VanDerWaalsContact CD1-N 3.3Å; L48-I75 HydrophobicContact CD1-CB 4.49Å; L48-I75 HydrophobicContact CD2-CB 4.15Å; L48-I75 HydrophobicContact CD2-CG2 4.4Å; L48-I75 HydrophobicContact CG-CB 4.11Å; L48-I75 HydrophobicContact CG-CG2 3.93Å
49D86.2Confident89Confident28 Ų2831.7 Ų31.715%0.1516%0.162CC..  trans-84.3-162.116569.143.4000111.4T32 Y47 T51 S52T32-D49 HydrophobicContact CG2-CB 4.44Å; T32-D49 CarbonylContact O-C 3.52Å; T32-D49 WeakPolarHBondContact O-CA 2.97Å; Y47-D49 HydrophobicContact CE2-CB 4.46Å; D49-T51 PolarHBondContact OD1-N 2.6Å; D49-T51 PolarHBondContact OD1-OG1 2.71Å; D49-S52 VanDerWaalsContact CG-OG 3.22Å; D49-S52 PolarHBondContact N-O 3.38Å; D49-S52 WeakPolarHBondContact OD1-CA 3.27Å; D49-S52 WeakPolarHBondContact OD1-CB 3.38Å; D49-S52 PolarHBondContact OD1-N 3.02Å; D49-S52 PolarHBondContact OD1-OG 3.2Å; D49-S52 PolarHBondContact OD2-OG 3.28Å
50Q80.9Confident88.8Confident109 Ų10935.9 Ų35.951%0.50918%0.184SC..SBendtrans-66.8-38.2177.5-78.5-174.32.200112.8T31 T32 K34T31-Q50 WeakPolarHBondContact O-CG 3.4Å; T31-Q50 PolarHBondContact O-NE2 2.95Å; T32-Q50 PolarHBondContact O-N 3.21Å; K34-Q50 PolarHBondContact NZ-O 2.86Å; K34-Q50 VanDerWaalsContact NZ-O 3.09Å
51T87.6Confident89.1Confident73 Ų7333 Ų3345%0.44817%0.169SC..SBendtrans-125.5-7.5-165.4570000113.8D49 I69D49-T51 PolarHBondContact OD1-N 2.6Å; D49-T51 PolarHBondContact OD1-OG1 2.71Å; T51-I69 CarbonylContact O-C 3.5Å; T51-I69 PolarHBondContact O-N 2.82Å
52S91.7Very high89.6Confident9 Ų933.2 Ų33.26%0.06317%0.17CC..EExtended strand (participates in β ladder)trans-152.8160.6-166.71030000113D49 T66 I67D49-S52 VanDerWaalsContact CG-OG 3.22Å; D49-S52 PolarHBondContact N-O 3.38Å; D49-S52 WeakPolarHBondContact OD1-CA 3.27Å; D49-S52 WeakPolarHBondContact OD1-CB 3.38Å; D49-S52 PolarHBondContact OD1-N 3.02Å; D49-S52 PolarHBondContact OD1-OG 3.2Å; D49-S52 PolarHBondContact OD2-OG 3.28Å; S52-T66 VanDerWaalsContact OG-CG2 3.3Å; S52-T66 WeakPolarHBondContact OG-CG2 3.34Å; S52-I67 CarbonylContact C-O 3.59Å; S52-I67 VanDerWaalsContact CA-O 3.26Å; S52-I67 WeakPolarHBondContact CA-O 3.4Å; S52-I67 WeakPolarHBondContact CB-O 3.32Å
53V93.3Very high90Very high0 Ų036.7 Ų36.70%019%0.186CC..EExtended strand (participates in β ladder)trans-101.9127.9166.81790000108.2L48 T66 I67 I69 I75 I86 M108L48-V53 HydrophobicContact CD2-CB 4.07Å; L48-V53 HydrophobicContact CD2-CG1 4.33Å; L48-V53 HydrophobicContact CD2-CG2 3.19Å; V53-T66 CarbonylContact O-C 3.48Å; V53-T66 WeakPolarHBondContact O-CA 3.48Å; V53-I67 HydrophobicContact CB-CB 4.48Å; V53-I67 PolarHBondContact N-O 2.94Å; V53-I67 PolarHBondContact O-N 2.88Å; V53-I69 HydrophobicContact CB-CG2 4.42Å; V53-I69 HydrophobicContact CG2-CG2 3.37Å; V53-I75 HydrophobicContact CG1-CD1 3.32Å; V53-I86 HydrophobicContact CB-CD1 4.28Å; V53-I86 HydrophobicContact CG2-CD1 3.44Å; V53-I86 VanDerWaalsContact CG2-CD1 3.44Å; V53-I86 HydrophobicContact CG2-CG1 3.84Å; V53-I86 HydrophobicContact CG2-CG2 4.32Å; V53-M108 HydrophobicContact CB-CE 4.45Å; V53-M108 HydrophobicContact CG1-CE 3.52Å
54V92.8Very high90.4Very high4 Ų437.3 Ų37.32%0.02419%0.192CC..EExtended strand (participates in β ladder)trans-111.7128.3175.9-175.10000109.5G46 Y47 I63 S65 T66G46-V54 CarbonylContact C-O 3.56Å; G46-V54 VanDerWaalsContact CA-O 3.29Å; G46-V54 WeakPolarHBondContact CA-O 3.4Å; Y47-V54 HydrophobicContact CD1-CB 4.22Å; Y47-V54 HydrophobicContact CD2-CB 4.3Å; Y47-V54 HydrophobicContact CE1-CB 3.7Å; Y47-V54 HydrophobicContact CE1-CG1 3.73Å; Y47-V54 HydrophobicContact CE2-CB 3.78Å; Y47-V54 HydrophobicContact CE2-CG1 4.45Å; Y47-V54 HydrophobicContact CE2-CG2 3.83Å; Y47-V54 VanDerWaalsContact CZ-CB 3.45Å; Y47-V54 PolarHBondContact N-O 2.98Å; Y47-V54 PolarHBondContact O-N 3.28Å; Y47-V54 WeakPolarHBondContact OH-CG1 3.41Å; V54-I63 HydrophobicContact CG1-CD1 4.5Å; V54-I63 HydrophobicContact CG1-CG1 4.26Å; V54-I63 HydrophobicContact CG1-CG2 3.94Å; V54-S65 WeakPolarHBondContact CA-O 3.35Å; V54-T66 HydrophobicContact CG2-CG2 4.26Å
55L94.5Very high90.5Very high0 Ų035.4 Ų35.40%019%0.185CC..EExtended strand (participates in β ladder)trans-100.1123.1166.7-174.868.8000108.6W44 V64 S65 L77 M108 I109W44-L55 HydrophobicContact CB-CD1 4.09Å; W44-L55 HydrophobicContact CD2-CD2 4.41Å; W44-L55 HydrophobicContact CE3-CD1 4.49Å; W44-L55 HydrophobicContact CE3-CD2 3.85Å; W44-L55 HydrophobicContact CZ3-CD2 4.2Å; L55-V64 HydrophobicContact CB-CB 4.37Å; L55-V64 HydrophobicContact CD2-CB 3.96Å; L55-V64 HydrophobicContact CD2-CG1 3.82Å; L55-V64 HydrophobicContact CG-CB 4.07Å; L55-V64 HydrophobicContact CG-CG1 4.48Å; L55-V64 PolarHBondContact O-N 2.87Å; L55-S65 WeakPolarHBondContact CB-OG 3.24Å; L55-S65 PolarHBondContact N-O 2.88Å; L55-S65 PolarHBondContact O-N 3.29Å; L55-L77 HydrophobicContact CD1-CD1 3.82Å; L55-L77 HydrophobicContact CD1-CD2 4.37Å; L55-M108 HydrophobicContact CB-CE 4.32Å; L55-M108 HydrophobicContact CD2-CB 3.76Å; L55-I109 HydrophobicContact CD2-CD1 3.84Å
56L92.7Very high90.6Very high0 Ų037.9 Ų37.90%020%0.2CC..EExtended strand (participates in β ladder)trans-115138.7179.7-170.8100.8000109.8I13 W44 M45 V58 S62 I63I13-L56 HydrophobicContact CD1-CD2 3.38Å; W44-L56 WeakPolarHBondContact CA-O 3.48Å; M45-L56 HydrophobicContact CE-CB 4.4Å; M45-L56 HydrophobicContact CE-CD2 3.61Å; M45-L56 PolarHBondContact N-O 2.8Å; M45-L56 PolarHBondContact O-N 3.18Å; L56-V58 HydrophobicContact CD2-CG2 4.28Å; L56-S62 WeakPolarHBondContact CA-O 3.14Å; L56-I63 HydrophobicContact CD1-CG1 4.19Å
57D91.4Very high90.7Very high29 Ų2938.1 Ų38.116%0.15520%0.202CC..EExtended strand (participates in β ladder)trans-86.2122162-168-39.2000108.7W44 N59 D60 R61 S62 V64W44-D57 PolarHBondContact NE1-OD2 2.92Å; D57-N59 WeakPolarHBondContact OD1-CB 3.18Å; D57-N59 PolarHBondContact OD1-N 2.87Å; D57-D60 WeakPolarHBondContact CB-OD1 3.28Å; D57-R61 CarbonylContact O-C 3.58Å; D57-R61 WeakPolarHBondContact O-CA 3.27Å; D57-R61 PolarHBondContact O-N 3.01Å; D57-S62 PolarHBondContact N-O 2.95Å; D57-S62 PolarHBondContact O-N 2.93Å; D57-V64 HydrophobicContact CB-CG2 3.76Å
58V88.6Confident90.7Very high0 Ų042.7 Ų42.70%023%0.233CC..THydrogen-bonded Turntrans-80.2-21.4-173.3179.10000111.8V2 I13 M43 M45 L56 I437V2-V58 HydrophobicContact CB-CG1 4.49Å; V2-V58 HydrophobicContact CG1-CG1 3.42Å; V2-V58 VanDerWaalsContact CG1-CG1 3.42Å; I13-V58 HydrophobicContact CD1-CG1 4.15Å; I13-V58 HydrophobicContact CG2-CG1 3.77Å; M43-V58 WeakPolarHBondContact O-CB 3.26Å; M43-V58 WeakPolarHBondContact O-CG2 3.38Å; M43-V58 PolarHBondContact O-N 2.9Å; M45-V58 HydrophobicContact CB-CG2 3.63Å; M45-V58 HydrophobicContact CE-CG2 4.37Å; L56-V58 HydrophobicContact CD2-CG2 4.28Å; V58-I437 HydrophobicContact CB-CD1 3.86Å; V58-I437 HydrophobicContact CG1-CD1 3.49Å; V58-I437 VanDerWaalsContact CG1-CD1 3.49Å; V58-I437 HydrophobicContact CG2-CD1 3.72Å
59N84.5Confident90.5Very high97 Ų9743.5 Ų43.552%0.51924%0.237SC..THydrogen-bonded Turntrans-68.9-51.4178.3-74.2-29.8000111.5M43 D57M43-N59 WeakPolarHBondContact CB-ND2 3.46Å; M43-N59 WeakPolarHBondContact CE-OD1 3.5Å; M43-N59 WeakPolarHBondContact CG-ND2 3.34Å; M43-N59 WeakPolarHBondContact CG-OD1 3.38Å; D57-N59 WeakPolarHBondContact OD1-CB 3.18Å; D57-N59 PolarHBondContact OD1-N 2.87Å
60D87.5Confident90.3Very high89 Ų8948.9 Ų48.948%0.47626%0.261SS..THydrogen-bonded Turntrans-102.9-4.9-175.969.63.8000113.3D57 S62D57-D60 WeakPolarHBondContact CB-OD1 3.28Å; D60-S62 VanDerWaalsContact CG-OG 3.24Å; D60-S62 PolarHBondContact O-N 2.92Å; D60-S62 WeakPolarHBondContact OD1-CB 3.41Å; D60-S62 PolarHBondContact OD1-N 2.96Å; D60-S62 PolarHBondContact OD1-OG 3.48Å; D60-S62 PolarHBondContact OD2-OG 3.12Å
61R88.9Confident90.5Very high103 Ų10346.7 Ų46.739%0.38926%0.257SS..  trans64.718.9-178.5-57.6163.1-67.3-95.1-3.2113.1E26 D57E26-R61 HydrophobicContact CB-CG 4.34Å; E26-R61 VanDerWaalsContact OE2-CB 3.27Å; E26-R61 WeakPolarHBondContact OE2-CB 3.28Å; E26-R61 WeakPolarHBondContact OE2-CG 3.4Å; D57-R61 CarbonylContact O-C 3.58Å; D57-R61 WeakPolarHBondContact O-CA 3.27Å; D57-R61 PolarHBondContact O-N 3.01Å
62S91.2Very high90.7Very high46 Ų4643.6 Ų43.632%0.32224%0.238SC..  trans-79.6148.117970.70000111.3L56 D57 D60 V64L56-S62 WeakPolarHBondContact CA-O 3.14Å; D57-S62 PolarHBondContact N-O 2.95Å; D57-S62 PolarHBondContact O-N 2.93Å; D60-S62 VanDerWaalsContact CG-OG 3.24Å; D60-S62 PolarHBondContact O-N 2.92Å; D60-S62 WeakPolarHBondContact OD1-CB 3.41Å; D60-S62 PolarHBondContact OD1-N 2.96Å; D60-S62 PolarHBondContact OD1-OG 3.48Å; D60-S62 PolarHBondContact OD2-OG 3.12Å; S62-V64 PolarHBondContact O-N 3.42Å
63I92Very high90.6Very high93 Ų9345 Ų4548%0.47725%0.248SC..EExtended strand (participates in β ladder)trans-81.2111.8168.8-64.3173.9000107.3V54 L56V54-I63 HydrophobicContact CG1-CD1 4.5Å; V54-I63 HydrophobicContact CG1-CG1 4.26Å; V54-I63 HydrophobicContact CG1-CG2 3.94Å; L56-I63 HydrophobicContact CD1-CG1 4.19Å
64V94Very high90.6Very high46 Ų4651.4 Ų51.428%0.27927%0.272SS..EExtended strand (participates in β ladder)trans-72.8-44.3175.4-178.40000109.7L55 D57 S62 I109L55-V64 HydrophobicContact CB-CB 4.37Å; L55-V64 HydrophobicContact CD2-CB 3.96Å; L55-V64 HydrophobicContact CD2-CG1 3.82Å; L55-V64 HydrophobicContact CG-CB 4.07Å; L55-V64 HydrophobicContact CG-CG1 4.48Å; L55-V64 PolarHBondContact O-N 2.87Å; D57-V64 HydrophobicContact CB-CG2 3.76Å; S62-V64 PolarHBondContact O-N 3.42Å; V64-I109 HydrophobicContact CG1-CD1 3.35Å
65S94.7Very high90.7Very high2 Ų251.7 Ų51.71%0.01427%0.274CS..EExtended strand (participates in β ladder)trans-158.2159.417873.90000113.8V54 L55 M108V54-S65 WeakPolarHBondContact CA-O 3.35Å; L55-S65 WeakPolarHBondContact CB-OG 3.24Å; L55-S65 PolarHBondContact N-O 2.88Å; L55-S65 PolarHBondContact O-N 3.29Å; S65-M108 WeakPolarHBondContact CB-O 3.37Å; S65-M108 PolarHBondContact OG-O 3.41Å
66T94.4Very high90.7Very high54 Ų5454 Ų5433%0.33129%0.285SS..EExtended strand (participates in β ladder)trans-136.7127.4173.4-55.80000108S52 V53 V54S52-T66 VanDerWaalsContact OG-CG2 3.3Å; S52-T66 WeakPolarHBondContact OG-CG2 3.34Å; V53-T66 CarbonylContact O-C 3.48Å; V53-T66 WeakPolarHBondContact O-CA 3.48Å; V54-T66 HydrophobicContact CG2-CG2 4.26Å
67I94.6Very high90.9Very high5 Ų554.5 Ų54.53%0.02629%0.287CS..EExtended strand (participates in β ladder)trans-122.3112.9-178.5-57.5176.6000107.9S52 V53 I69 Y106 M108 K111S52-I67 CarbonylContact C-O 3.59Å; S52-I67 VanDerWaalsContact CA-O 3.26Å; S52-I67 WeakPolarHBondContact CA-O 3.4Å; S52-I67 WeakPolarHBondContact CB-O 3.32Å; V53-I67 HydrophobicContact CB-CB 4.48Å; V53-I67 PolarHBondContact N-O 2.94Å; V53-I67 PolarHBondContact O-N 2.88Å; I67-I69 PolarHBondContact O-N 2.81Å; I67-Y106 HydrophobicContact CD1-CD1 3.82Å; I67-Y106 HydrophobicContact CD1-CG 4.11Å; I67-Y106 HydrophobicContact CG2-CD1 3.98Å; I67-Y106 HydrophobicContact CG2-CE1 3.64Å; I67-M108 HydrophobicContact CD1-CE 3.8Å; I67-M108 HydrophobicContact CD1-SD 3.87Å; I67-K111 HydrophobicContact CG1-CB 4.18Å; I67-K111 HydrophobicContact CG1-CG 4.18Å
68P92.6Very high91.1Very high109 Ų10953.1 Ų53.171%0.70828%0.28SS*.EExtended strand (participates in β ladder)trans-69121.1176.928-32.1000109.8
69I86.9Confident91.3Very high17 Ų1753.9 Ų53.99%0.08728%0.284CS..  trans-153116.5177.9-172.9160.1000110.7T51 V53 I67 A72 I86 F104 Y106T51-I69 CarbonylContact O-C 3.5Å; T51-I69 PolarHBondContact O-N 2.82Å; V53-I69 HydrophobicContact CB-CG2 4.42Å; V53-I69 HydrophobicContact CG2-CG2 3.37Å; I67-I69 PolarHBondContact O-N 2.81Å; I69-A72 HydrophobicContact CG2-CB 3.9Å; I69-I86 HydrophobicContact CD1-CB 4.35Å; I69-I86 HydrophobicContact CD1-CD1 4.39Å; I69-I86 HydrophobicContact CD1-CG2 3.87Å; I69-I86 HydrophobicContact CG2-CD1 4.37Å; I69-I86 HydrophobicContact CG2-CG2 4.25Å; I69-F104 HydrophobicContact CD1-CB 4.29Å; I69-F104 HydrophobicContact CD1-CD2 3.8Å; I69-F104 HydrophobicContact CD1-CE2 4.42Å; I69-F104 HydrophobicContact CD1-CG 4.13Å; I69-Y106 HydrophobicContact CD1-CE2 3.94Å
70E80.5Confident91.6Very high142 Ų14250.5 Ų50.566%0.66427%0.268SS*.THydrogen-bonded Turntrans-133.2132.7-178.8-165.7175.1174.900110.4
71P86.8Confident91.9Very high63 Ų6346.2 Ų46.241%0.40925%0.245SC..THydrogen-bonded Turncis-95.5103.7-3.634-29.3000112.8T88P71-T88 WeakPolarHBondContact O-CB 3.37Å; P71-T88 WeakPolarHBondContact O-CG2 3.36Å
72A90.5Very high92.2Very high7 Ų746.4 Ų46.46%0.05825%0.249CC..EExtended strand (participates in β ladder)trans-77.2142.4167.200000111.9L48 I69 I86L48-A72 HydrophobicContact CD1-CB 3.94Å; L48-A72 HydrophobicContact CD2-CB 3.81Å; I69-A72 HydrophobicContact CG2-CB 3.9Å; A72-I86 HydrophobicContact CB-CG2 3.6Å
73S90.3Very high92.4Very high39 Ų3945.6 Ų45.627%0.27324%0.24SC..EExtended strand (participates in β ladder)trans-127.5-28.5-178.864.60000113.7Y87S73-Y87 PolarHBondContact N-O 3.19Å; S73-Y87 WeakPolarHBondContact OG-CD1 3.38Å; S73-Y87 PolarHBondContact OG-O 2.82Å
74R92.7Very high92.6Very high135 Ų13541.2 Ų41.251%0.50922%0.217SC..EExtended strand (participates in β ladder)trans-140.4152.9173.3-59-170-176.9-840.1111.7L48 Y87 W125L48-R74 VanDerWaalsContact CD1-N 3.3Å; R74-Y87 HydrophobicContact CB-CD1 4.4Å; R74-Y87 HydrophobicContact CG-CD1 4.42Å; R74-Y87 PolarHBondContact N-O 3.27Å; R74-Y87 PolarHBondContact O-N 2.73Å; R74-W125 HydrophobicContact CB-CH2 4.09Å; R74-W125 HydrophobicContact CB-CZ2 3.62Å; R74-W125 HydrophobicContact CG-CZ2 4.44Å
75I94.6Very high92.7Very high10 Ų1039 Ų395%0.05120%0.204CC..EExtended strand (participates in β ladder)trans-131.9144.8173.8-177.8169.4000109.6C35 L48 V53 L77 F85 I86C35-I75 HydrophobicContact CB-CG2 4.41Å; L48-I75 HydrophobicContact CD1-CB 4.49Å; L48-I75 HydrophobicContact CD2-CB 4.15Å; L48-I75 HydrophobicContact CD2-CG2 4.4Å; L48-I75 HydrophobicContact CG-CB 4.11Å; L48-I75 HydrophobicContact CG-CG2 3.93Å; V53-I75 HydrophobicContact CG1-CD1 3.32Å; I75-L77 HydrophobicContact CD1-CD2 4.13Å; I75-F85 CarbonylContact C-O 3.59Å; I75-F85 WeakPolarHBondContact CA-O 3.38Å; I75-I86 HydrophobicContact CG1-CG1 4.42Å
76Q95.3Very high92.7Very high49 Ų4938.9 Ų38.923%0.22920%0.203CC..EExtended strand (participates in β ladder)trans-135.6122.1165.7-172.3176.8-12.300110.1G84 F85 W125 P127 W129Q76-G84 WeakPolarHBondContact O-CA 3.39Å; Q76-F85 PolarHBondContact N-O 3.12Å; Q76-F85 PolarHBondContact O-N 3.25Å; Q76-W125 HydrophobicContact CB-CH2 4.29Å; Q76-W125 HydrophobicContact CB-CZ3 4.49Å; Q76-P127 HydrophobicContact CG-CG 4.37Å; Q76-P127 PolarHBondContact NE2-O 2.87Å; Q76-W129 HydrophobicContact CG-CZ3 4.38Å
77L95.9Very high92.7Very high10 Ų1037.6 Ų37.65%0.05219%0.192CC..EExtended strand (participates in β ladder)trans-86.2146.6174.5-66.8-178.2000111.2S37 A39 G46 L55 I75 F83 M108S37-L77 PolarHBondContact OG-N 2.99Å; A39-L77 HydrophobicContact CB-CD1 4.37Å; G46-L77 VanDerWaalsContact N-CD1 3.33Å; L55-L77 HydrophobicContact CD1-CD1 3.82Å; L55-L77 HydrophobicContact CD1-CD2 4.37Å; I75-L77 HydrophobicContact CD1-CD2 4.13Å; L77-F83 WeakPolarHBondContact CA-O 3.27Å; L77-M108 HydrophobicContact CD2-CG 4.06Å
78S95.7Very high92.6Very high0 Ų038.1 Ų38.10%020%0.195CC..  trans-57.6154.116053.70000110.8C80 G81 K82 F83S78-C80 PolarHBondContact O-N 3.36Å; S78-C80 VanDerWaalsContact O-N 3.13Å; S78-G81 WeakPolarHBondContact O-CA 3.34Å; S78-G81 PolarHBondContact O-N 2.93Å; S78-G81 PolarHBondContact OG-N 3.41Å; S78-K82 PolarHBondContact OG-N 2.94Å; S78-F83 PolarHBondContact N-O 2.88Å; S78-F83 PolarHBondContact OG-N 2.96Å; S78-F83 PolarHBondContact OG-O 3.1Å
79P93Very high92.4Very high15 Ų1536 Ų3610%0.09718%0.183CC..THydrogen-bonded Turntrans-50.8-37.8176.8-3136.5000113.8A39 K40 S41 S42 G81 W129 N130 S133A39-P79 CarbonylContact C-O 3.55Å; A39-P79 WeakPolarHBondContact CB-O 3.33Å; K40-P79 HydrophobicContact CB-CB 4.45Å; K40-P79 PolarHBondContact N-O 3.22Å; S41-P79 PolarHBondContact N-O 3.12Å; S41-P79 PolarHBondContact OG-O 3.17Å; S42-P79 PolarHBondContact N-O 2.84Å; P79-G81 VanDerWaalsContact C-N 3.32Å; P79-W129 VanDerWaalsContact CD-CB 3.43Å; P79-W129 HydrophobicContact CG-CB 3.72Å; P79-W129 HydrophobicContact CG-CG 4.43Å; P79-N130 WeakPolarHBondContact CG-O 3.36Å; P79-S133 WeakPolarHBondContact CB-OG 3.49Å; P79-S133 VanDerWaalsContact CD-OG 3.31Å; P79-S133 WeakPolarHBondContact CD-OG 3.45Å
80C92.5Very high92.6Very high26 Ų2637.7 Ų37.718%0.17619%0.19CC..THydrogen-bonded Turntrans-80.7-8177.168.30000114.4S41 S42 S78 K82 S133S41-C80 VanDerWaalsContact OG-CA 3.31Å; S41-C80 WeakPolarHBondContact OG-CA 3.43Å; S41-C80 PolarHBondContact OG-N 2.94Å; S42-C80 WeakPolarHBondContact CB-O 3.45Å; S42-C80 VanDerWaalsContact OG-C 3.24Å; S42-C80 PolarHBondContact OG-O 3.07Å; S78-C80 PolarHBondContact O-N 3.36Å; S78-C80 VanDerWaalsContact O-N 3.13Å; C80-K82 PolarHBondContact O-N 3.1Å; C80-S133 WeakPolarHBondContact CB-OG 3.25Å; C80-S133 PolarHBondContact N-OG 2.84Å; C80-S133 VanDerWaalsContact SG-CB 3.53Å; C80-S133 PolarHBondContact SG-OG 3.26Å
81G93.1Very high93Very high0 Ų036.4 Ų36.40%018%0.182CC..SBendtrans76.3-9.3177.800000115.8S78 P79 F83S78-G81 WeakPolarHBondContact O-CA 3.34Å; S78-G81 PolarHBondContact O-N 2.93Å; S78-G81 PolarHBondContact OG-N 3.41Å; P79-G81 VanDerWaalsContact C-N 3.32Å; G81-F83 VanDerWaalsContact C-N 3.35Å; G81-F83 PolarHBondContact O-N 2.85Å
82K94.5Very high93.1Very high107 Ų10738.3 Ų38.347%0.46519%0.188SC..SBendtrans-70.4-29-177-66.2-178.9179.1-178.10113.7W44 S78 C80 M108 I109W44-K82 HydrophobicContact CH2-CG 4.23Å; W44-K82 HydrophobicContact CZ3-CG 3.74Å; S78-K82 PolarHBondContact OG-N 2.94Å; C80-K82 PolarHBondContact O-N 3.1Å; K82-M108 WeakPolarHBondContact O-CB 3.23Å; K82-M108 PolarHBondContact O-N 2.8Å; K82-I109 HydrophobicContact CG-CG1 4.44Å
83F95.8Very high92.9Very high29 Ų2941.2 Ų41.213%0.12720%0.202CC..EExtended strand (participates in β ladder)trans-114.8139.9179.6-53.9-79.2000110.8L77 S78 G81 Y106 L114 W129 N150 F152L77-F83 WeakPolarHBondContact CA-O 3.27Å; S78-F83 PolarHBondContact N-O 2.88Å; S78-F83 PolarHBondContact OG-N 2.96Å; S78-F83 PolarHBondContact OG-O 3.1Å; G81-F83 VanDerWaalsContact C-N 3.35Å; G81-F83 PolarHBondContact O-N 2.85Å; F83-Y106 WeakPolarHBondContact CA-O 3.4Å; F83-L114 HydrophobicContact CD1-CD1 3.84Å; F83-L114 HydrophobicContact CE1-CD1 3.94Å; F83-W129 HydrophobicContact CB-CZ2 4.5Å; F83-N150 HydrophobicContact CD1-CB 4.18Å; F83-N150 HydrophobicContact CD2-CB 3.64Å; F83-N150 VanDerWaalsContact CD2-CG 3.43Å; F83-N150 HydrophobicContact CE1-CB 3.86Å; F83-N150 HydrophobicContact CE2-CB 3.3Å; F83-N150 VanDerWaalsContact CE2-ND2 3.28Å; F83-N150 WeakPolarHBondContact CE2-ND2 3.39Å; F83-N150 HydrophobicContact CG-CB 4.07Å; F83-N150 HydrophobicContact CZ-CB 3.41Å; F83-N150 VanDerWaalsContact CZ-CB 3.41Å; F83-F152 HydrophobicContact CB-CE2 4.28Å; F83-F152 HydrophobicContact CD1-CD2 4.44Å; F83-F152 HydrophobicContact CD1-CE2 4.12Å; F83-F152 HydrophobicContact CG-CE2 4.14Å
84G95.6Very high92.8Very high0 Ų047.6 Ų47.60%023%0.234CC..EExtended strand (participates in β ladder)trans-130.5133.5179.100000111.7Q76 Y106Q76-G84 WeakPolarHBondContact O-CA 3.39Å; G84-Y106 PolarHBondContact N-O 2.92Å; G84-Y106 PolarHBondContact O-N 2.88Å
85F96.3Very high92.5Very high0 Ų049.3 Ų49.30%025%0.247CC..EExtended strand (participates in β ladder)trans-100.4122168.2-82.1-119.4000108.6I75 Q76 I103 F104 V105 Y117 W125 P127 W129 L138 F152I75-F85 CarbonylContact C-O 3.59Å; I75-F85 WeakPolarHBondContact CA-O 3.38Å; Q76-F85 PolarHBondContact N-O 3.12Å; Q76-F85 PolarHBondContact O-N 3.25Å; F85-I103 HydrophobicContact CD1-CG2 3.73Å; F85-I103 HydrophobicContact CE1-CG2 4.32Å; F85-F104 WeakPolarHBondContact CA-O 3.14Å; F85-V105 HydrophobicContact CD1-CG2 3.88Å; F85-V105 HydrophobicContact CD2-CG1 4.08Å; F85-V105 HydrophobicContact CD2-CG2 4.27Å; F85-V105 HydrophobicContact CE1-CG2 3.33Å; F85-V105 HydrophobicContact CE2-CB 4.23Å; F85-V105 HydrophobicContact CE2-CG1 3.5Å; F85-V105 HydrophobicContact CE2-CG2 3.81Å; F85-V105 HydrophobicContact CG-CG2 4.3Å; F85-V105 HydrophobicContact CZ-CB 4.15Å; F85-V105 HydrophobicContact CZ-CG1 3.77Å; F85-V105 HydrophobicContact CZ-CG2 3.28Å; F85-Y117 HydrophobicContact CE1-CE2 4.3Å; F85-W125 HydrophobicContact CB-CZ3 3.89Å; F85-P127 HydrophobicContact CB-CG 3.95Å; F85-P127 HydrophobicContact CD1-CB 4.44Å; F85-P127 HydrophobicContact CD1-CG 3.99Å; F85-P127 HydrophobicContact CD2-CB 4.27Å; F85-P127 HydrophobicContact CD2-CG 3.74Å; F85-P127 HydrophobicContact CE1-CB 4.47Å; F85-P127 HydrophobicContact CE1-CG 4.49Å; F85-P127 HydrophobicContact CE2-CB 4.27Å; F85-P127 HydrophobicContact CE2-CG 4.24Å; F85-P127 HydrophobicContact CG-CB 4.36Å; F85-P127 HydrophobicContact CG-CG 3.6Å; F85-P127 HydrophobicContact CZ-CB 4.4Å; F85-W129 AromaticContact CD2-CH2 3.66Å; F85-W129 HydrophobicContact CD2-CH2 3.66Å; F85-W129 HydrophobicContact CD2-CZ2 4Å; F85-W129 AromaticContact CE2-CH2 3.96Å; F85-W129 HydrophobicContact CE2-CH2 3.96Å; F85-W129 AromaticContact CE2-CZ2 3.83Å; F85-W129 HydrophobicContact CE2-CZ2 3.83Å; F85-L138 HydrophobicContact CD1-CD2 4.05Å; F85-L138 HydrophobicContact CE1-CD1 3.82Å; F85-L138 HydrophobicContact CE1-CD2 3.29Å; F85-L138 HydrophobicContact CE1-CG 4.18Å; F85-L138 HydrophobicContact CZ-CD1 3.61Å; F85-L138 HydrophobicContact CZ-CD2 3.73Å; F85-L138 HydrophobicContact CZ-CG 4.21Å; F85-F152 HydrophobicContact CE2-CE1 4.22Å; F85-F152 HydrophobicContact CE2-CE2 4.27Å; F85-F152 AromaticContact CE2-CZ 3.94Å; F85-F152 HydrophobicContact CE2-CZ 3.94Å; F85-F152 HydrophobicContact CZ-CD1 4.42Å; F85-F152 HydrophobicContact CZ-CE1 4.06Å; F85-F152 HydrophobicContact CZ-CZ 4.25Å
86I95.4Very high92Very high0 Ų052 Ų520%026%0.262CS..EExtended strand (participates in β ladder)trans-113.5127-177.7-61.1156.1000108.3V53 I69 A72 I75 I103 F104 Y106V53-I86 HydrophobicContact CB-CD1 4.28Å; V53-I86 HydrophobicContact CG2-CD1 3.44Å; V53-I86 VanDerWaalsContact CG2-CD1 3.44Å; V53-I86 HydrophobicContact CG2-CG1 3.84Å; V53-I86 HydrophobicContact CG2-CG2 4.32Å; I69-I86 HydrophobicContact CD1-CB 4.35Å; I69-I86 HydrophobicContact CD1-CD1 4.39Å; I69-I86 HydrophobicContact CD1-CG2 3.87Å; I69-I86 HydrophobicContact CG2-CD1 4.37Å; I69-I86 HydrophobicContact CG2-CG2 4.25Å; A72-I86 HydrophobicContact CB-CG2 3.6Å; I75-I86 HydrophobicContact CG1-CG1 4.42Å; I86-I103 WeakPolarHBondContact O-CA 3.25Å; I86-F104 PolarHBondContact N-O 2.89Å; I86-F104 PolarHBondContact O-N 2.81Å; I86-Y106 HydrophobicContact CD1-CD2 3.59Å; I86-Y106 HydrophobicContact CD1-CE2 3.96Å; I86-Y106 HydrophobicContact CD1-CG 4.29Å
87Y94.3Very high91.6Very high27 Ų2754.2 Ų54.211%0.10628%0.281CS..EExtended strand (participates in β ladder)trans-108.9130.1-178.8171.1-90.3000111.1S73 R74 N102 I103 W125S73-Y87 PolarHBondContact N-O 3.19Å; S73-Y87 WeakPolarHBondContact OG-CD1 3.38Å; S73-Y87 PolarHBondContact OG-O 2.82Å; R74-Y87 HydrophobicContact CB-CD1 4.4Å; R74-Y87 HydrophobicContact CG-CD1 4.42Å; R74-Y87 PolarHBondContact N-O 3.27Å; R74-Y87 PolarHBondContact O-N 2.73Å; Y87-N102 WeakPolarHBondContact CA-O 3.42Å; Y87-N102 WeakPolarHBondContact CE2-ND2 3.43Å; Y87-I103 HydrophobicContact CD2-CG1 4.19Å; Y87-W125 AromaticContact CD2-CD1 3.96Å; Y87-W125 HydrophobicContact CD2-CD2 4.08Å; Y87-W125 HydrophobicContact CD2-CG 4.04Å; Y87-W125 AromaticContact CD2-NE1 3.99Å; Y87-W125 HydrophobicContact CG-CD2 4.24Å; Y87-W125 AromaticContact CG-CE2 3.87Å; Y87-W125 HydrophobicContact CG-CZ2 4.15Å; Y87-W125 AromaticContact CG-NE1 3.98Å
88T92.3Very high91.1Very high15 Ų1557.6 Ų57.69%0.09231%0.305CS..EExtended strand (participates in β ladder)trans-112.8160170.271.80000109.3P71 F90 N102 F104P71-T88 WeakPolarHBondContact O-CB 3.37Å; P71-T88 WeakPolarHBondContact O-CG2 3.36Å; T88-F90 PolarHBondContact O-N 3.41Å; T88-N102 PolarHBondContact N-O 2.89Å; T88-N102 WeakPolarHBondContact O-CB 3.06Å; T88-N102 PolarHBondContact O-ND2 3.19Å; T88-N102 VanDerWaalsContact OG1-CA 3.27Å; T88-N102 WeakPolarHBondContact OG1-CA 3.17Å; T88-N102 WeakPolarHBondContact OG1-CB 3.31Å; T88-N102 PolarHBondContact OG1-O 3.17Å; T88-F104 HydrophobicContact CG2-CD2 4.09Å; T88-F104 HydrophobicContact CG2-CE2 3.67Å
89S89.4Confident90.8Very high65 Ų6557.8 Ų57.846%0.45531%0.307SS..  trans-65.2129.1177.1-62.40000110.5K91S89-K91 PolarHBondContact O-N 2.88Å
90F90.2Very high90.7Very high53 Ų5358.3 Ų58.323%0.23231%0.311CS..  trans-57.5132.5172.2177.4-105.4000110.9T88 I92 I118 R120T88-F90 PolarHBondContact O-N 3.41Å; F90-I92 HydrophobicContact CE1-CD1 3.78Å; F90-I92 HydrophobicContact CE1-CG1 3.58Å; F90-I92 HydrophobicContact CZ-CD1 3.92Å; F90-I92 HydrophobicContact CZ-CG1 3.56Å; F90-I118 HydrophobicContact CD2-CG2 4.33Å; F90-I118 HydrophobicContact CE2-CG2 3.78Å; F90-R120 HydrophobicContact CD2-CG 4.37Å; F90-R120 HydrophobicContact CE1-CG 4.21Å; F90-R120 HydrophobicContact CE2-CG 3.84Å; F90-R120 HydrophobicContact CZ-CG 3.76Å
91K88.8Confident90.7Very high115 Ų11558.8 Ų58.850%0.531%0.314SS..  trans-135.6146.7178.7-67.3177.7-173.7178.90109.9S89 G99 S100S89-K91 PolarHBondContact O-N 2.88Å; K91-G99 WeakPolarHBondContact O-CA 3.32Å; K91-S100 PolarHBondContact O-N 3.45Å; K91-S100 VanDerWaalsContact O-N 3.15Å; K91-S100 PolarHBondContact O-OG 3.01Å
92I88.7Confident90.7Very high103 Ų10358.9 Ų58.953%0.52831%0.314SS..  trans-118.1129.8168.3-59.2175.7000105.7F90F90-I92 HydrophobicContact CE1-CD1 3.78Å; F90-I92 HydrophobicContact CE1-CG1 3.58Å; F90-I92 HydrophobicContact CZ-CD1 3.92Å; F90-I92 HydrophobicContact CZ-CG1 3.56Å
93D87.5Confident90.7Very high67 Ų6754 Ų5436%0.35829%0.294SS..  trans-128.4174.5174.750.832.3000109.5E95 N96D93-E95 PolarHBondContact O-N 2.84Å; D93-E95 PolarHBondContact OD1-N 3.37Å; D93-N96 CarbonylContact O-C 3.54Å; D93-N96 VanDerWaalsContact O-C 3.28Å; D93-N96 PolarHBondContact O-N 3.26Å; D93-N96 WeakPolarHBondContact OD1-CA 3.5Å; D93-N96 VanDerWaalsContact OD1-CB 3.22Å; D93-N96 WeakPolarHBondContact OD1-CB 3.16Å; D93-N96 PolarHBondContact OD1-N 3.01Å; D93-N96 PolarHBondContact OD1-ND2 2.88Å; D93-N96 VanDerWaalsContact OD1-ND2 3.14Å
94N86.6Confident90.7Very high173 Ų17354.1 Ų54.193%0.92529%0.294SS*.SBendtrans-64.7-26-178.1-69.5-13.4000112.3
95E87.1Confident90.8Very high171 Ų17154.1 Ų54.180%0.79929%0.294SS*.SBendtrans-80.1-36.4178.7-63.9-176.9174.400112D93 P97D93-E95 PolarHBondContact O-N 2.84Å; D93-E95 PolarHBondContact OD1-N 3.37Å; E95-P97 VanDerWaalsContact C-CD 3.43Å; E95-P97 VanDerWaalsContact O-CD 3.25Å; E95-P97 WeakPolarHBondContact O-CD 3.34Å
96N84.9Confident90.7Very high66 Ų6655.4 Ų55.435%0.35330%0.299SS..  trans-119.974.4-179.4-55.3-74.7000110.6D93 S98 G99D93-N96 CarbonylContact O-C 3.54Å; D93-N96 VanDerWaalsContact O-C 3.28Å; D93-N96 PolarHBondContact O-N 3.26Å; D93-N96 WeakPolarHBondContact OD1-CA 3.5Å; D93-N96 VanDerWaalsContact OD1-CB 3.22Å; D93-N96 WeakPolarHBondContact OD1-CB 3.16Å; D93-N96 PolarHBondContact OD1-N 3.01Å; D93-N96 PolarHBondContact OD1-ND2 2.88Å; D93-N96 VanDerWaalsContact OD1-ND2 3.14Å; N96-S98 PolarHBondContact O-N 2.84Å; N96-S98 VanDerWaalsContact O-N 3.1Å; N96-G99 WeakPolarHBondContact O-CA 3.19Å; N96-G99 PolarHBondContact O-N 3.06Å
97P86.6Confident90.8Very high97 Ų9756.5 Ų56.563%0.6331%0.305SS*.THydrogen-bonded Turntrans-62.4-21.8179.122.6-32.1000113E95 G99E95-P97 VanDerWaalsContact C-CD 3.43Å; E95-P97 VanDerWaalsContact O-CD 3.25Å; E95-P97 WeakPolarHBondContact O-CD 3.34Å; P97-G99 VanDerWaalsContact C-N 3.31Å
98S84.9Confident90.8Very high80 Ų8055.2 Ų55.256%0.55930%0.3SS*.THydrogen-bonded Turntrans-83.2-6.6173.9-66.20000114N96 R120N96-S98 PolarHBondContact O-N 2.84Å; N96-S98 VanDerWaalsContact O-N 3.1Å; S98-R120 PolarHBondContact O-NH2 2.88Å
99G90Very high91Very high4 Ų457.6 Ų57.64%0.04131%0.311CS..  trans93.1147.6-174.500000113.2K91 N96 P97 I118K91-G99 WeakPolarHBondContact O-CA 3.32Å; N96-G99 WeakPolarHBondContact O-CA 3.19Å; N96-G99 PolarHBondContact O-N 3.06Å; P97-G99 VanDerWaalsContact C-N 3.31Å; G99-I118 VanDerWaalsContact O-CD1 3.32Å; G99-I118 WeakPolarHBondContact O-CD1 3.39Å
100S91Very high91.2Very high27 Ų2759.7 Ų59.719%0.18932%0.317CS..  trans-84.2155.1177.850.60000112.2K91 N102K91-S100 PolarHBondContact O-N 3.45Å; K91-S100 VanDerWaalsContact O-N 3.15Å; K91-S100 PolarHBondContact O-OG 3.01Å; S100-N102 PolarHBondContact O-N 3Å
101P92.3Very high91.5Very high36 Ų3662.7 Ų62.723%0.23433%0.33CS..  trans-57.3134.8173.1-22.732.9000111F104 E116 Y117 I118P101-F104 HydrophobicContact CB-CE1 4.13Å; P101-F104 HydrophobicContact CB-CZ 4.34Å; P101-F104 VanDerWaalsContact O-CZ 3.25Å; P101-F104 WeakPolarHBondContact O-CZ 3.5Å; P101-E116 HydrophobicContact CB-CB 3.93Å; P101-E116 HydrophobicContact CB-CG 3.95Å; P101-E116 HydrophobicContact CG-CG 4.1Å; P101-Y117 WeakPolarHBondContact CA-O 3.35Å; P101-I118 HydrophobicContact CB-CG1 4.47Å; P101-I118 HydrophobicContact CG-CG1 4.26Å
102N93.6Very high91.8Very high1 Ų160.2 Ų60.21%0.00533%0.325CS..  trans-137.10.8-174.671.4-56.5000113.7Y87 T88 S100 Y117 F119Y87-N102 WeakPolarHBondContact CA-O 3.42Å; Y87-N102 WeakPolarHBondContact CE2-ND2 3.43Å; T88-N102 PolarHBondContact N-O 2.89Å; T88-N102 WeakPolarHBondContact O-CB 3.06Å; T88-N102 PolarHBondContact O-ND2 3.19Å; T88-N102 VanDerWaalsContact OG1-CA 3.27Å; T88-N102 WeakPolarHBondContact OG1-CA 3.17Å; T88-N102 WeakPolarHBondContact OG1-CB 3.31Å; T88-N102 PolarHBondContact OG1-O 3.17Å; S100-N102 PolarHBondContact O-N 3Å; N102-Y117 PolarHBondContact N-O 2.85Å; N102-F119 PolarHBondContact ND2-O 2.94Å; N102-F119 PolarHBondContact OD1-N 2.96Å; N102-F119 PolarHBondContact OD1-O 3.18Å
103I94.7Very high92.1Very high6 Ų660.5 Ų60.53%0.03132%0.322CS..EExtended strand (participates in β ladder)trans-118129.3163.8-59.2168.8000107.2F85 I86 Y87 E116 Y117 F119 W125F85-I103 HydrophobicContact CD1-CG2 3.73Å; F85-I103 HydrophobicContact CE1-CG2 4.32Å; I86-I103 WeakPolarHBondContact O-CA 3.25Å; Y87-I103 HydrophobicContact CD2-CG1 4.19Å; I103-E116 CarbonylContact O-C 3.26Å; I103-E116 VanDerWaalsContact O-CA 3.25Å; I103-E116 WeakPolarHBondContact O-CA 3.49Å; I103-Y117 HydrophobicContact CB-CD2 4.49Å; I103-Y117 HydrophobicContact CG2-CD2 4.22Å; I103-Y117 PolarHBondContact N-O 3.39Å; I103-Y117 VanDerWaalsContact N-O 3.11Å; I103-Y117 PolarHBondContact O-N 2.93Å; I103-F119 HydrophobicContact CD1-CB 3.32Å; I103-F119 HydrophobicContact CD1-CD1 4.35Å; I103-F119 HydrophobicContact CD1-CD2 4.06Å; I103-F119 HydrophobicContact CD1-CG 3.68Å; I103-F119 HydrophobicContact CG1-CB 3.97Å; I103-W125 HydrophobicContact CD1-CB 3.5Å; I103-W125 VanDerWaalsContact CD1-CB 3.5Å; I103-W125 HydrophobicContact CD1-CG 4.42Å; I103-W125 HydrophobicContact CG1-CB 4.26Å
104F95.3Very high92.4Very high31 Ų3159.3 Ų59.314%0.13632%0.316CS..EExtended strand (participates in β ladder)trans-123131.3178.3-54.8-82.6000110I69 F85 I86 T88 P101 Y106 K113 E116I69-F104 HydrophobicContact CD1-CB 4.29Å; I69-F104 HydrophobicContact CD1-CD2 3.8Å; I69-F104 HydrophobicContact CD1-CE2 4.42Å; I69-F104 HydrophobicContact CD1-CG 4.13Å; F85-F104 WeakPolarHBondContact CA-O 3.14Å; I86-F104 PolarHBondContact N-O 2.89Å; I86-F104 PolarHBondContact O-N 2.81Å; T88-F104 HydrophobicContact CG2-CD2 4.09Å; T88-F104 HydrophobicContact CG2-CE2 3.67Å; P101-F104 HydrophobicContact CB-CE1 4.13Å; P101-F104 HydrophobicContact CB-CZ 4.34Å; P101-F104 VanDerWaalsContact O-CZ 3.25Å; P101-F104 WeakPolarHBondContact O-CZ 3.5Å; F104-Y106 HydrophobicContact CB-CD2 3.97Å; F104-Y106 HydrophobicContact CB-CE2 3.49Å; F104-Y106 VanDerWaalsContact CB-CE2 3.49Å; F104-Y106 HydrophobicContact CG-CE2 4.4Å; F104-K113 HydrophobicContact CD1-CD 3.91Å; F104-E116 HydrophobicContact CD1-CB 3.85Å; F104-E116 HydrophobicContact CE1-CB 4.13Å
105V96.2Very high92.8Very high0 Ų054.5 Ų54.50%029%0.287CS..EExtended strand (participates in β ladder)trans-103.3123.8177.9-171.50000108.5F85 L114 K115 Y117 F152F85-V105 HydrophobicContact CD1-CG2 3.88Å; F85-V105 HydrophobicContact CD2-CG1 4.08Å; F85-V105 HydrophobicContact CD2-CG2 4.27Å; F85-V105 HydrophobicContact CE1-CG2 3.33Å; F85-V105 HydrophobicContact CE2-CB 4.23Å; F85-V105 HydrophobicContact CE2-CG1 3.5Å; F85-V105 HydrophobicContact CE2-CG2 3.81Å; F85-V105 HydrophobicContact CG-CG2 4.3Å; F85-V105 HydrophobicContact CZ-CB 4.15Å; F85-V105 HydrophobicContact CZ-CG1 3.77Å; F85-V105 HydrophobicContact CZ-CG2 3.28Å; V105-L114 HydrophobicContact CG1-CB 4.38Å; V105-L114 HydrophobicContact CG1-CD1 4.46Å; V105-L114 PolarHBondContact O-N 3.12Å; V105-K115 HydrophobicContact CB-CB 4.08Å; V105-K115 HydrophobicContact CG2-CB 4.06Å; V105-K115 PolarHBondContact N-O 2.88Å; V105-K115 PolarHBondContact O-N 2.96Å; V105-Y117 HydrophobicContact CG2-CD2 4.23Å; V105-Y117 HydrophobicContact CG2-CE2 3.7Å; V105-F152 HydrophobicContact CG1-CB 4.28Å; V105-F152 HydrophobicContact CG1-CD2 3.58Å; V105-F152 HydrophobicContact CG1-CE2 3.99Å; V105-F152 HydrophobicContact CG1-CG 3.91Å
106Y96Very high93.1Very high27 Ų2750.4 Ų50.411%0.10627%0.268CS..EExtended strand (participates in β ladder)trans-120.6142.4-179.1-79.5-95.4000111.6I67 I69 F83 G84 I86 F104 M108 T112 K113I67-Y106 HydrophobicContact CD1-CD1 3.82Å; I67-Y106 HydrophobicContact CD1-CG 4.11Å; I67-Y106 HydrophobicContact CG2-CD1 3.98Å; I67-Y106 HydrophobicContact CG2-CE1 3.64Å; I69-Y106 HydrophobicContact CD1-CE2 3.94Å; F83-Y106 WeakPolarHBondContact CA-O 3.4Å; G84-Y106 PolarHBondContact N-O 2.92Å; G84-Y106 PolarHBondContact O-N 2.88Å; I86-Y106 HydrophobicContact CD1-CD2 3.59Å; I86-Y106 HydrophobicContact CD1-CE2 3.96Å; I86-Y106 HydrophobicContact CD1-CG 4.29Å; F104-Y106 HydrophobicContact CB-CD2 3.97Å; F104-Y106 HydrophobicContact CB-CE2 3.49Å; F104-Y106 VanDerWaalsContact CB-CE2 3.49Å; F104-Y106 HydrophobicContact CG-CE2 4.4Å; Y106-M108 PolarHBondContact O-N 2.85Å; Y106-T112 WeakPolarHBondContact CA-O 3.34Å; Y106-T112 WeakPolarHBondContact CD1-O 3.35Å; Y106-K113 HydrophobicContact CD1-CB 4.18Å; Y106-K113 HydrophobicContact CE1-CB 3.7Å; Y106-K113 HydrophobicContact CE1-CG 4.39Å; Y106-K113 HydrophobicContact CE2-CG 4.34Å
107D95.8Very high93.5Very high23 Ų2348.4 Ų48.412%0.12326%0.255CS..EExtended strand (participates in β ladder)trans-75.1110.8150.5-174.7-35.3000107I109 N110 K111 T112 L114D107-I109 PolarHBondContact O-N 3.17Å; D107-I109 PolarHBondContact OD1-N 2.75Å; D107-N110 HydrophobicContact CB-CB 4.29Å; D107-N110 PolarHBondContact OD1-N 2.94Å; D107-N110 PolarHBondContact OD2-ND2 2.7Å; D107-K111 WeakPolarHBondContact O-CA 3.46Å; D107-K111 PolarHBondContact O-N 3.18Å; D107-T112 WeakPolarHBondContact CB-OG1 3.28Å; D107-T112 PolarHBondContact N-O 2.96Å; D107-T112 PolarHBondContact O-N 3.42Å; D107-L114 HydrophobicContact CB-CD1 4.13Å; D107-L114 HydrophobicContact CB-CD2 4.27Å; D107-L114 HydrophobicContact CB-CG 4.25Å
108M95.5Very high93.8Very high0 Ų047 Ų470%024%0.242CC..THydrogen-bonded Turntrans-70-25-175.6-61.3-56.5-59.500111.8V53 L55 S65 I67 L77 K82 Y106V53-M108 HydrophobicContact CB-CE 4.45Å; V53-M108 HydrophobicContact CG1-CE 3.52Å; L55-M108 HydrophobicContact CB-CE 4.32Å; L55-M108 HydrophobicContact CD2-CB 3.76Å; S65-M108 WeakPolarHBondContact CB-O 3.37Å; S65-M108 PolarHBondContact OG-O 3.41Å; I67-M108 HydrophobicContact CD1-CE 3.8Å; I67-M108 HydrophobicContact CD1-SD 3.87Å; L77-M108 HydrophobicContact CD2-CG 4.06Å; K82-M108 WeakPolarHBondContact O-CB 3.23Å; K82-M108 PolarHBondContact O-N 2.8Å; Y106-M108 PolarHBondContact O-N 2.85Å
109I94.9Very high94.1Very high64 Ų6444 Ų4433%0.32822%0.219SC..THydrogen-bonded Turntrans-84.2-51.6-177.7-55.7-56.8000110.2W44 L55 V64 K82 D107 K111W44-I109 HydrophobicContact CE3-CD1 4.47Å; W44-I109 HydrophobicContact CH2-CD1 3.47Å; W44-I109 VanDerWaalsContact CH2-CD1 3.47Å; W44-I109 HydrophobicContact CH2-CG1 4.16Å; W44-I109 HydrophobicContact CZ2-CD1 4.35Å; W44-I109 HydrophobicContact CZ3-CD1 3.55Å; W44-I109 HydrophobicContact CZ3-CG1 4.18Å; L55-I109 HydrophobicContact CD2-CD1 3.84Å; V64-I109 HydrophobicContact CG1-CD1 3.35Å; K82-I109 HydrophobicContact CG-CG1 4.44Å; D107-I109 PolarHBondContact O-N 3.17Å; D107-I109 PolarHBondContact OD1-N 2.75Å; I109-K111 PolarHBondContact O-N 2.78Å
110N95Very high94.1Very high110 Ų11051.6 Ų51.659%0.58825%0.246SC*.THydrogen-bonded Turntrans-78.3-7.9-179-65-50.8000112.8D107 T112D107-N110 HydrophobicContact CB-CB 4.29Å; D107-N110 PolarHBondContact OD1-N 2.94Å; D107-N110 PolarHBondContact OD2-ND2 2.7Å; N110-T112 HydrophobicContact CB-CG2 4.16Å; N110-T112 PolarHBondContact O-N 3.41Å
111K95.1Very high93.7Very high115 Ų11555.8 Ų55.850%0.526%0.258SS..THydrogen-bonded Turntrans58.829.4-178.4-52.4175.9-174.4179.60112.6I67 D107 I109I67-K111 HydrophobicContact CG1-CB 4.18Å; I67-K111 HydrophobicContact CG1-CG 4.18Å; D107-K111 WeakPolarHBondContact O-CA 3.46Å; D107-K111 PolarHBondContact O-N 3.18Å; I109-K111 PolarHBondContact O-N 2.78Å
112T95.1Very high93.1Very high64 Ų6456.6 Ų56.639%0.39327%0.273SS..EExtended strand (participates in β ladder)trans-101.7135.9-177.955.90000110.8Y106 D107 N110 L114Y106-T112 WeakPolarHBondContact CA-O 3.34Å; Y106-T112 WeakPolarHBondContact CD1-O 3.35Å; D107-T112 WeakPolarHBondContact CB-OG1 3.28Å; D107-T112 PolarHBondContact N-O 2.96Å; D107-T112 PolarHBondContact O-N 3.42Å; N110-T112 HydrophobicContact CB-CG2 4.16Å; N110-T112 PolarHBondContact O-N 3.41Å; T112-L114 PolarHBondContact O-N 2.75Å
113K95.4Very high92.6Very high108 Ų10861.6 Ų61.647%0.4730%0.299SS..EExtended strand (participates in β ladder)trans-77.2115.3170.3-174.7175.362168.90108.4F104 Y106 E116F104-K113 HydrophobicContact CD1-CD 3.91Å; Y106-K113 HydrophobicContact CD1-CB 4.18Å; Y106-K113 HydrophobicContact CE1-CB 3.7Å; Y106-K113 HydrophobicContact CE1-CG 4.39Å; Y106-K113 HydrophobicContact CE2-CG 4.34Å; K113-E116 IonicContact NZ-OE2 3.53Å; K113-E116 PolarHBondContact NZ-OE2 2.87Å
114L95.2Very high92.3Very high43 Ų4363 Ų6323%0.22532%0.315CS..EExtended strand (participates in β ladder)trans-87.3-38.7-178.4-59.5178.1000112.2F83 V105 D107 T112 F152F83-L114 HydrophobicContact CD1-CD1 3.84Å; F83-L114 HydrophobicContact CE1-CD1 3.94Å; V105-L114 HydrophobicContact CG1-CB 4.38Å; V105-L114 HydrophobicContact CG1-CD1 4.46Å; V105-L114 PolarHBondContact O-N 3.12Å; D107-L114 HydrophobicContact CB-CD1 4.13Å; D107-L114 HydrophobicContact CB-CD2 4.27Å; D107-L114 HydrophobicContact CB-CG 4.25Å; T112-L114 PolarHBondContact O-N 2.75Å; L114-F152 HydrophobicContact CB-CB 4.34Å; L114-F152 HydrophobicContact CD1-CD2 4.03Å
115K94.2Very high92.1Very high72 Ų7261.8 Ų61.831%0.31331%0.31SS..EExtended strand (participates in β ladder)trans-158.6159.9-175.7-150.263.5166.4-163.20111.7V105 Y117 F152 S153V105-K115 HydrophobicContact CB-CB 4.08Å; V105-K115 HydrophobicContact CG2-CB 4.06Å; V105-K115 PolarHBondContact N-O 2.88Å; V105-K115 PolarHBondContact O-N 2.96Å; K115-Y117 HydrophobicContact CB-CE2 4.26Å; K115-Y117 HydrophobicContact CG-CE1 4.21Å; K115-Y117 HydrophobicContact CG-CE2 4.05Å; K115-F152 HydrophobicContact CB-CB 4.38Å; K115-F152 WeakPolarHBondContact CD-O 3.49Å; K115-S153 PolarHBondContact NZ-O 3.13Å
116E94.3Very high92Very high85 Ų8565.2 Ų65.240%0.39733%0.326SS..EExtended strand (participates in β ladder)trans-138.4148171.366.4-168.4-164.500110.9P101 I103 F104 K113P101-E116 HydrophobicContact CB-CB 3.93Å; P101-E116 HydrophobicContact CB-CG 3.95Å; P101-E116 HydrophobicContact CG-CG 4.1Å; I103-E116 CarbonylContact O-C 3.26Å; I103-E116 VanDerWaalsContact O-CA 3.25Å; I103-E116 WeakPolarHBondContact O-CA 3.49Å; F104-E116 HydrophobicContact CD1-CB 3.85Å; F104-E116 HydrophobicContact CE1-CB 4.13Å; K113-E116 IonicContact NZ-OE2 3.53Å; K113-E116 PolarHBondContact NZ-OE2 2.87Å
117Y93.3Very high92Very high23 Ų2364 Ų649%0.0932%0.321CS..EExtended strand (participates in β ladder)trans-133.1149-180-55.4-82000110.8F85 P101 N102 I103 V105 K115 L138 V140 Y147F85-Y117 HydrophobicContact CE1-CE2 4.3Å; P101-Y117 WeakPolarHBondContact CA-O 3.35Å; N102-Y117 PolarHBondContact N-O 2.85Å; I103-Y117 HydrophobicContact CB-CD2 4.49Å; I103-Y117 HydrophobicContact CG2-CD2 4.22Å; I103-Y117 PolarHBondContact N-O 3.39Å; I103-Y117 VanDerWaalsContact N-O 3.11Å; I103-Y117 PolarHBondContact O-N 2.93Å; V105-Y117 HydrophobicContact CG2-CD2 4.23Å; V105-Y117 HydrophobicContact CG2-CE2 3.7Å; K115-Y117 HydrophobicContact CB-CE2 4.26Å; K115-Y117 HydrophobicContact CG-CE1 4.21Å; K115-Y117 HydrophobicContact CG-CE2 4.05Å; Y117-L138 HydrophobicContact CE2-CD1 4.48Å; Y117-V140 HydrophobicContact CD1-CG1 3.74Å; Y117-V140 HydrophobicContact CD1-CG2 3.99Å; Y117-V140 HydrophobicContact CE1-CG1 4.11Å; Y117-V140 HydrophobicContact CE1-CG2 3.96Å; Y117-Y147 PolarHBondContact OH-OH 3.11Å
118I92.7Very high92Very high68 Ų6865.1 Ų65.135%0.34933%0.326SS..  trans-94.9121.7167.3-58.8166.4000107.5F90 G99 P101F90-I118 HydrophobicContact CD2-CG2 4.33Å; F90-I118 HydrophobicContact CE2-CG2 3.78Å; G99-I118 VanDerWaalsContact O-CD1 3.32Å; G99-I118 WeakPolarHBondContact O-CD1 3.39Å; P101-I118 HydrophobicContact CB-CG1 4.47Å; P101-I118 HydrophobicContact CG-CG1 4.26Å
119F91.1Very high92Very high17 Ų1766 Ų668%0.07533%0.329CS..  trans-136.4109.9-177.7-163.6-91.3000110.7N102 I103 R121 D123 W125 F139N102-F119 PolarHBondContact ND2-O 2.94Å; N102-F119 PolarHBondContact OD1-N 2.96Å; N102-F119 PolarHBondContact OD1-O 3.18Å; I103-F119 HydrophobicContact CD1-CB 3.32Å; I103-F119 HydrophobicContact CD1-CD1 4.35Å; I103-F119 HydrophobicContact CD1-CD2 4.06Å; I103-F119 HydrophobicContact CD1-CG 3.68Å; I103-F119 HydrophobicContact CG1-CB 3.97Å; F119-R121 HydrophobicContact CD1-CB 4.32Å; F119-R121 WeakPolarHBondContact CD1-O 3.5Å; F119-R121 HydrophobicContact CE1-CB 3.65Å; F119-R121 VanDerWaalsContact CE1-O 3.25Å; F119-R121 WeakPolarHBondContact CE1-O 3.37Å; F119-R121 HydrophobicContact CZ-CB 4.2Å; F119-D123 VanDerWaalsContact CE1-O 3.26Å; F119-D123 WeakPolarHBondContact CE1-O 3.21Å; F119-D123 WeakPolarHBondContact CZ-O 3.48Å; F119-W125 HydrophobicContact CD1-CB 3.69Å; F119-W125 HydrophobicContact CD2-CB 4.46Å; F119-W125 HydrophobicContact CE1-CB 3.68Å; F119-W125 HydrophobicContact CE2-CB 4.45Å; F119-W125 HydrophobicContact CG-CB 4.09Å; F119-W125 HydrophobicContact CZ-CB 4.09Å; F119-F139 HydrophobicContact CE2-CD1 4.14Å; F119-F139 WeakPolarHBondContact CE2-O 3.42Å
120R88.5Confident91.9Very high164 Ų16463 Ų6362%0.61931%0.314SS*.  trans-82.2-24-170.5-60.7-174.2176.3-162.5-2.3114.1F90 S98F90-R120 HydrophobicContact CD2-CG 4.37Å; F90-R120 HydrophobicContact CE1-CG 4.21Å; F90-R120 HydrophobicContact CE2-CG 3.84Å; F90-R120 HydrophobicContact CZ-CG 3.76Å; S98-R120 PolarHBondContact O-NH2 2.88Å
121R84.5Confident91.6Very high114 Ų11461 Ų6143%0.4331%0.308SS..SBendtrans-83150.7-179.1-61.8-178.9-1771713.2109.6F119 D123F119-R121 HydrophobicContact CD1-CB 4.32Å; F119-R121 WeakPolarHBondContact CD1-O 3.5Å; F119-R121 HydrophobicContact CE1-CB 3.65Å; F119-R121 VanDerWaalsContact CE1-O 3.25Å; F119-R121 WeakPolarHBondContact CE1-O 3.37Å; F119-R121 HydrophobicContact CZ-CB 4.2Å; R121-D123 VanDerWaalsContact C-N 3.29Å
122G77.9Confident91.3Very high53 Ų5359.4 Ų59.455%0.54631%0.305SS..SBendtrans-76.2-18.217600000113.7
123D83.9Confident91.2Very high106 Ų10656.5 Ų56.557%0.56729%0.288SS*.SBendtrans-130.6155.2-172.563.1-24.9000112.3F119 R121 W125F119-D123 VanDerWaalsContact CE1-O 3.26Å; F119-D123 WeakPolarHBondContact CE1-O 3.21Å; F119-D123 WeakPolarHBondContact CZ-O 3.48Å; R121-D123 VanDerWaalsContact C-N 3.29Å; D123-W125 VanDerWaalsContact C-N 3.35Å
124G88.1Confident91.1Very high35 Ų3552.8 Ų52.836%0.36128%0.275SS..SBendtrans83.28177.900000114.9
125W91.1Very high91Very high7 Ų751.6 Ų51.63%0.02727%0.269CS..  trans-75.5-18.1172.166-93.8000112.9R74 Q76 F85 Y87 I103 F119 D123R74-W125 HydrophobicContact CB-CH2 4.09Å; R74-W125 HydrophobicContact CB-CZ2 3.62Å; R74-W125 HydrophobicContact CG-CZ2 4.44Å; Q76-W125 HydrophobicContact CB-CH2 4.29Å; Q76-W125 HydrophobicContact CB-CZ3 4.49Å; F85-W125 HydrophobicContact CB-CZ3 3.89Å; Y87-W125 AromaticContact CD2-CD1 3.96Å; Y87-W125 HydrophobicContact CD2-CD2 4.08Å; Y87-W125 HydrophobicContact CD2-CG 4.04Å; Y87-W125 AromaticContact CD2-NE1 3.99Å; Y87-W125 HydrophobicContact CG-CD2 4.24Å; Y87-W125 AromaticContact CG-CE2 3.87Å; Y87-W125 HydrophobicContact CG-CZ2 4.15Å; Y87-W125 AromaticContact CG-NE1 3.98Å; I103-W125 HydrophobicContact CD1-CB 3.5Å; I103-W125 VanDerWaalsContact CD1-CB 3.5Å; I103-W125 HydrophobicContact CD1-CG 4.42Å; I103-W125 HydrophobicContact CG1-CB 4.26Å; F119-W125 HydrophobicContact CD1-CB 3.69Å; F119-W125 HydrophobicContact CD2-CB 4.46Å; F119-W125 HydrophobicContact CE1-CB 3.68Å; F119-W125 HydrophobicContact CE2-CB 4.45Å; F119-W125 HydrophobicContact CG-CB 4.09Å; F119-W125 HydrophobicContact CZ-CB 4.09Å; D123-W125 VanDerWaalsContact C-N 3.35Å
126Q94.7Very high91.1Very high72 Ų7248.1 Ų48.134%0.33625%0.254SS..  trans-61124.1-172.8-72.290.5-6.900111.5
127P95.5Very high91.2Very high1 Ų144.1 Ų44.11%0.00624%0.235CC..  trans-60.1151.1167.424.1-35.6000111.8Q76 F85 W129 L138Q76-P127 HydrophobicContact CG-CG 4.37Å; Q76-P127 PolarHBondContact NE2-O 2.87Å; F85-P127 HydrophobicContact CB-CG 3.95Å; F85-P127 HydrophobicContact CD1-CB 4.44Å; F85-P127 HydrophobicContact CD1-CG 3.99Å; F85-P127 HydrophobicContact CD2-CB 4.27Å; F85-P127 HydrophobicContact CD2-CG 3.74Å; F85-P127 HydrophobicContact CE1-CB 4.47Å; F85-P127 HydrophobicContact CE1-CG 4.49Å; F85-P127 HydrophobicContact CE2-CB 4.27Å; F85-P127 HydrophobicContact CE2-CG 4.24Å; F85-P127 HydrophobicContact CG-CB 4.36Å; F85-P127 HydrophobicContact CG-CG 3.6Å; F85-P127 HydrophobicContact CZ-CB 4.4Å; P127-W129 HydrophobicContact CB-CD2 4.42Å; P127-W129 HydrophobicContact CB-CE3 3.9Å; P127-W129 HydrophobicContact CB-CH2 3.51Å; P127-W129 HydrophobicContact CB-CZ2 4.02Å; P127-W129 HydrophobicContact CB-CZ3 3.46Å; P127-W129 VanDerWaalsContact CB-CZ3 3.46Å; P127-W129 HydrophobicContact CG-CE3 4.06Å; P127-W129 HydrophobicContact CG-CH2 3.23Å; P127-W129 HydrophobicContact CG-CZ2 4.19Å; P127-W129 HydrophobicContact CG-CZ3 3.16Å; P127-L138 HydrophobicContact CB-CD2 3.72Å
128Q96.2Very high91.3Very high47 Ų4743.2 Ų43.222%0.2223%0.232CC..EExtended strand (participates in β ladder)trans-121.6128.2167.3-53.3-177.622.800109.1C136 S137 F168 S169 M170Q128-C136 CarbonylContact O-C 3.57Å; Q128-C136 WeakPolarHBondContact O-CA 3.41Å; Q128-S137 PolarHBondContact N-O 3.43Å; Q128-S137 PolarHBondContact O-N 2.8Å; Q128-S137 PolarHBondContact O-OG 3.15Å; Q128-F168 HydrophobicContact CG-CE2 4.33Å; Q128-F168 HydrophobicContact CG-CZ 4.43Å; Q128-F168 PolarHBondContact NE2-O 2.86Å; Q128-S169 VanDerWaalsContact OE1-CA 3.28Å; Q128-M170 HydrophobicContact CB-CB 4.22Å; Q128-M170 WeakPolarHBondContact O-CE 3.31Å
129W95.3Very high91.4Very high19 Ų1941.1 Ų41.17%0.07222%0.221CC..EExtended strand (participates in β ladder)trans-112.6154.3176.6-74.6-89.9000111.1Q76 P79 F83 F85 P127 V135 C136 N150 F152Q76-W129 HydrophobicContact CG-CZ3 4.38Å; P79-W129 VanDerWaalsContact CD-CB 3.43Å; P79-W129 HydrophobicContact CG-CB 3.72Å; P79-W129 HydrophobicContact CG-CG 4.43Å; F83-W129 HydrophobicContact CB-CZ2 4.5Å; F85-W129 AromaticContact CD2-CH2 3.66Å; F85-W129 HydrophobicContact CD2-CH2 3.66Å; F85-W129 HydrophobicContact CD2-CZ2 4Å; F85-W129 AromaticContact CE2-CH2 3.96Å; F85-W129 HydrophobicContact CE2-CH2 3.96Å; F85-W129 AromaticContact CE2-CZ2 3.83Å; F85-W129 HydrophobicContact CE2-CZ2 3.83Å; P127-W129 HydrophobicContact CB-CD2 4.42Å; P127-W129 HydrophobicContact CB-CE3 3.9Å; P127-W129 HydrophobicContact CB-CH2 3.51Å; P127-W129 HydrophobicContact CB-CZ2 4.02Å; P127-W129 HydrophobicContact CB-CZ3 3.46Å; P127-W129 VanDerWaalsContact CB-CZ3 3.46Å; P127-W129 HydrophobicContact CG-CE3 4.06Å; P127-W129 HydrophobicContact CG-CH2 3.23Å; P127-W129 HydrophobicContact CG-CZ2 4.19Å; P127-W129 HydrophobicContact CG-CZ3 3.16Å; W129-V135 VanDerWaalsContact CA-O 3.31Å; W129-V135 WeakPolarHBondContact CA-O 3.25Å; W129-C136 VanDerWaalsContact CE2-SG 3.53Å; W129-C136 HydrophobicContact CG-CB 4.27Å; W129-N150 PolarHBondContact NE1-OD1 2.87Å; W129-F152 HydrophobicContact CZ2-CZ 4.26Å
130N93.4Very high91.4Very high1 Ų140.9 Ų40.91%0.00522%0.221CC..  trans-72.7170.1160.361.7-10.8000111.2P79 D132 S133 S134 V135 M170 S173 S174 P176P79-N130 WeakPolarHBondContact CG-O 3.36Å; N130-D132 PolarHBondContact ND2-OD1 2.9Å; N130-D132 PolarHBondContact O-N 2.96Å; N130-D132 PolarHBondContact OD1-OD1 3.11Å; N130-S133 PolarHBondContact O-N 2.84Å; N130-S133 VanDerWaalsContact O-N 3.12Å; N130-S133 PolarHBondContact OD1-N 3.13Å; N130-S134 PolarHBondContact ND2-OG 2.93Å; N130-S134 PolarHBondContact OD1-N 2.88Å; N130-V135 PolarHBondContact N-O 3.11Å; N130-V135 PolarHBondContact OD1-N 2.84Å; N130-V135 PolarHBondContact OD1-O 2.61Å; N130-M170 VanDerWaalsContact N-CE 3.28Å; N130-S173 WeakPolarHBondContact CB-O 3.39Å; N130-S174 PolarHBondContact ND2-O 3.5Å; N130-S174 VanDerWaalsContact ND2-O 3.17Å; N130-P176 HydrophobicContact CB-CB 4.42Å; N130-P176 HydrophobicContact CB-CG 4.42Å
131S88.8Confident91.3Very high68 Ų6839.7 Ų39.748%0.47623%0.227SC..THydrogen-bonded Turntrans-59.9-30.1-171.258.50000114.6T172S131-T172 WeakPolarHBondContact CB-O 3.48Å; S131-T172 PolarHBondContact N-O 2.95Å; S131-T172 PolarHBondContact OG-O 2.94Å; S131-T172 VanDerWaalsContact OG-O 3.06Å
132D88.7Confident91.6Very high81 Ų8136 Ų3643%0.43322%0.224SC..THydrogen-bonded Turntrans-96.25-178.165.77.3000113.7N130 S134N130-D132 PolarHBondContact ND2-OD1 2.9Å; N130-D132 PolarHBondContact O-N 2.96Å; N130-D132 PolarHBondContact OD1-OD1 3.11Å; D132-S134 VanDerWaalsContact CG-OG 3.26Å; D132-S134 PolarHBondContact O-N 2.98Å; D132-S134 VanDerWaalsContact OD1-CB 3.24Å; D132-S134 WeakPolarHBondContact OD1-CB 3.26Å; D132-S134 PolarHBondContact OD1-N 2.84Å; D132-S134 PolarHBondContact OD1-OG 2.74Å; D132-S134 PolarHBondContact OD2-OG 2.96Å
133S92.7Very high92.4Very high3 Ų335.9 Ų35.92%0.02121%0.209CC..SBendtrans59.511.5-173.2-54.90000115.3P79 C80 N130 V135 N150P79-S133 WeakPolarHBondContact CB-OG 3.49Å; P79-S133 VanDerWaalsContact CD-OG 3.31Å; P79-S133 WeakPolarHBondContact CD-OG 3.45Å; C80-S133 WeakPolarHBondContact CB-OG 3.25Å; C80-S133 PolarHBondContact N-OG 2.84Å; C80-S133 VanDerWaalsContact SG-CB 3.53Å; C80-S133 PolarHBondContact SG-OG 3.26Å; N130-S133 PolarHBondContact O-N 2.84Å; N130-S133 VanDerWaalsContact O-N 3.12Å; N130-S133 PolarHBondContact OD1-N 3.13Å; S133-V135 VanDerWaalsContact C-N 3.33Å; S133-N150 PolarHBondContact O-ND2 3.1Å; S133-N150 PolarHBondContact O-OD1 3.03Å
134S92.6Very high93Very high30 Ų3030.8 Ų30.821%0.2118%0.182CC..SBendtrans-73-26.7-178.161.80000112.9N130 D132 S148 N149N130-S134 PolarHBondContact ND2-OG 2.93Å; N130-S134 PolarHBondContact OD1-N 2.88Å; D132-S134 VanDerWaalsContact CG-OG 3.26Å; D132-S134 PolarHBondContact O-N 2.98Å; D132-S134 VanDerWaalsContact OD1-CB 3.24Å; D132-S134 WeakPolarHBondContact OD1-CB 3.26Å; D132-S134 PolarHBondContact OD1-N 2.84Å; D132-S134 PolarHBondContact OD1-OG 2.74Å; D132-S134 PolarHBondContact OD2-OG 2.96Å; S134-S148 CarbonylContact O-C 3.5Å; S134-N149 PolarHBondContact O-N 2.78Å
135V94.3Very high93.3Very high17 Ų1729.8 Ų29.810%0.10317%0.168CC..EExtended strand (participates in β ladder)trans-125.4133179.8-178.10000109.9W129 N130 S133 M146 Y147 M170 P176W129-V135 VanDerWaalsContact CA-O 3.31Å; W129-V135 WeakPolarHBondContact CA-O 3.25Å; N130-V135 PolarHBondContact N-O 3.11Å; N130-V135 PolarHBondContact OD1-N 2.84Å; N130-V135 PolarHBondContact OD1-O 2.61Å; S133-V135 VanDerWaalsContact C-N 3.33Å; V135-M146 HydrophobicContact CG1-CE 3.59Å; V135-Y147 WeakPolarHBondContact CA-O 3.1Å; V135-M170 HydrophobicContact CG1-SD 4.21Å; V135-P176 HydrophobicContact CB-CG 3.93Å; V135-P176 HydrophobicContact CG1-CG 3.82Å; V135-P176 HydrophobicContact CG2-CG 4.21Å
136C96.1Very high93.6Very high0 Ų029.5 Ų29.50%017%0.167CC..EExtended strand (participates in β ladder)trans-124.6136.4176.3-174.40000110.5Q128 W129 M146 Y147 F152Q128-C136 CarbonylContact O-C 3.57Å; Q128-C136 WeakPolarHBondContact O-CA 3.41Å; W129-C136 VanDerWaalsContact CE2-SG 3.53Å; W129-C136 HydrophobicContact CG-CB 4.27Å; C136-M146 CarbonylContact O-C 3.5Å; C136-M146 WeakPolarHBondContact O-CA 3.41Å; C136-Y147 PolarHBondContact N-O 3.16Å; C136-Y147 PolarHBondContact O-N 3.23Å; C136-F152 HydrophobicContact CB-CE1 3.94Å; C136-F152 HydrophobicContact CB-CZ 3.98Å
137S96.4Very high93.6Very high0 Ų026.5 Ų26.50%015%0.153CC..EExtended strand (participates in β ladder)trans-117.3139.4173.660.40000111.1Q128 H145 M146 M170Q128-S137 PolarHBondContact N-O 3.43Å; Q128-S137 PolarHBondContact O-N 2.8Å; Q128-S137 PolarHBondContact O-OG 3.15Å; S137-H145 WeakPolarHBondContact CA-O 3.33Å; S137-M146 WeakPolarHBondContact CB-SD 3.22Å; S137-M170 PolarHBondContact OG-SD 3.28Å; S137-M170 VanDerWaalsContact OG-SD 3.37Å
138L95.4Very high93.5Very high4 Ų428.3 Ų28.32%0.02117%0.165CC..EExtended strand (participates in β ladder)trans-138.6139.2-174.5-73.9162.4000110.5F85 Y117 P127 V140 I144 H145 Y147 F152F85-L138 HydrophobicContact CD1-CD2 4.05Å; F85-L138 HydrophobicContact CE1-CD1 3.82Å; F85-L138 HydrophobicContact CE1-CD2 3.29Å; F85-L138 HydrophobicContact CE1-CG 4.18Å; F85-L138 HydrophobicContact CZ-CD1 3.61Å; F85-L138 HydrophobicContact CZ-CD2 3.73Å; F85-L138 HydrophobicContact CZ-CG 4.21Å; Y117-L138 HydrophobicContact CE2-CD1 4.48Å; P127-L138 HydrophobicContact CB-CD2 3.72Å; L138-V140 HydrophobicContact CB-CG2 4.06Å; L138-I144 CarbonylContact O-C 3.56Å; L138-I144 WeakPolarHBondContact O-CA 3.44Å; L138-H145 PolarHBondContact N-O 3.5Å; L138-H145 PolarHBondContact O-N 3.05Å; L138-Y147 HydrophobicContact CD1-CD2 3.96Å; L138-Y147 HydrophobicContact CD1-CE2 3.83Å; L138-F152 HydrophobicContact CD1-CD1 4.36Å; L138-F152 HydrophobicContact CD1-CE1 4.14Å
139F94.4Very high93.3Very high24 Ų2431.5 Ų31.511%0.10518%0.183CC..EExtended strand (participates in β ladder)trans-94.1112.2170.9-171.9-106.2000110.3F119 E143 I144 I165 F168F119-F139 HydrophobicContact CE2-CD1 4.14Å; F119-F139 WeakPolarHBondContact CE2-O 3.42Å; F139-E143 CarbonylContact C-O 3.53Å; F139-E143 WeakPolarHBondContact CA-O 3.33Å; F139-E143 WeakPolarHBondContact CD2-O 3.47Å; F139-I144 HydrophobicContact CD2-CG1 4Å; F139-I165 HydrophobicContact CD2-CG2 4.34Å; F139-I165 HydrophobicContact CE2-CB 3.97Å; F139-I165 HydrophobicContact CE2-CD1 4.41Å; F139-I165 HydrophobicContact CE2-CG2 3.75Å; F139-I165 HydrophobicContact CZ-CB 4.5Å; F139-I165 HydrophobicContact CZ-CG2 4.47Å; F139-F168 HydrophobicContact CB-CD1 4.26Å; F139-F168 HydrophobicContact CB-CE1 3.61Å; F139-F168 HydrophobicContact CB-CZ 4.35Å; F139-F168 HydrophobicContact CG-CE1 4.48Å
140V91Very high93.1Very high12 Ų1231.2 Ų31.27%0.07318%0.184CC..EExtended strand (participates in β ladder)trans-134.6127.1-175.1-176.20000108.7Y117 L138 G142 E143Y117-V140 HydrophobicContact CD1-CG1 3.74Å; Y117-V140 HydrophobicContact CD1-CG2 3.99Å; Y117-V140 HydrophobicContact CE1-CG1 4.11Å; Y117-V140 HydrophobicContact CE1-CG2 3.96Å; L138-V140 HydrophobicContact CB-CG2 4.06Å; V140-G142 PolarHBondContact O-N 2.73Å; V140-G142 VanDerWaalsContact O-N 3.1Å; V140-E143 PolarHBondContact N-O 3.48Å; V140-E143 PolarHBondContact O-N 3.35Å
141N87.3Confident93Very high140 Ų14034.6 Ų34.675%0.74920%0.201SC*.THydrogen-bonded Turntrans52.733175.2-61.3-19.7000115.2E143N141-E143 VanDerWaalsContact C-N 3.33Å
142G89.7Confident93.2Very high36 Ų3631.4 Ų31.437%0.37118%0.179SC..THydrogen-bonded Turntrans87.6-1.3-179.800000114.7V140V140-G142 PolarHBondContact O-N 2.73Å; V140-G142 VanDerWaalsContact O-N 3.1Å
143E94.9Very high93.2Very high50 Ų5031.1 Ų31.123%0.23418%0.183CC..EExtended strand (participates in β ladder)trans-114.5158.1178.8-54.9-173.1137.400110.8F139 V140 N141 H145 S161F139-E143 CarbonylContact C-O 3.53Å; F139-E143 WeakPolarHBondContact CA-O 3.33Å; F139-E143 WeakPolarHBondContact CD2-O 3.47Å; V140-E143 PolarHBondContact N-O 3.48Å; V140-E143 PolarHBondContact O-N 3.35Å; N141-E143 VanDerWaalsContact C-N 3.33Å; E143-H145 IonicContact OE2-CD2 3.24Å; E143-H145 IonicContact OE2-NE2 3.88Å; E143-H145 PolarHBondContact OE2-NE2 3.3Å; E143-S161 WeakPolarHBondContact OE1-CB 3.48Å; E143-S161 PolarHBondContact OE1-OG 2.93Å
144I96.2Very high93.1Very high0 Ų036.3 Ų36.30%021%0.207CC..EExtended strand (participates in β ladder)trans-99118.5168.4-57.6165.7000107.7L138 F139 M146 K159 L160 I165 F168 L178 V180L138-I144 CarbonylContact O-C 3.56Å; L138-I144 WeakPolarHBondContact O-CA 3.44Å; F139-I144 HydrophobicContact CD2-CG1 4Å; I144-M146 HydrophobicContact CG2-SD 4.38Å; I144-K159 CarbonylContact O-C 3.58Å; I144-K159 WeakPolarHBondContact O-CA 3.42Å; I144-L160 HydrophobicContact CB-CB 4.31Å; I144-L160 HydrophobicContact CD1-CD2 4.38Å; I144-L160 PolarHBondContact N-O 3.4Å; I144-L160 PolarHBondContact O-N 3.45Å; I144-I165 HydrophobicContact CD1-CD1 4.05Å; I144-I165 HydrophobicContact CD1-CG2 4.48Å; I144-I165 HydrophobicContact CG1-CD1 4.17Å; I144-F168 HydrophobicContact CD1-CB 3.59Å; I144-F168 HydrophobicContact CD1-CD1 4.3Å; I144-F168 HydrophobicContact CD1-CD2 4.11Å; I144-F168 HydrophobicContact CD1-CG 3.72Å; I144-F168 HydrophobicContact CG1-CD1 4.33Å; I144-F168 HydrophobicContact CG1-CD2 4.5Å; I144-F168 HydrophobicContact CG1-CG 4.17Å; I144-F168 HydrophobicContact CG2-CD2 4.34Å; I144-F168 HydrophobicContact CG2-CE2 4.27Å; I144-L178 HydrophobicContact CD1-CD2 4.06Å; I144-L178 HydrophobicContact CG2-CD1 4.36Å; I144-L178 HydrophobicContact CG2-CD2 4.05Å; I144-V180 HydrophobicContact CD1-CG1 4.39Å; I144-V180 HydrophobicContact CD1-CG2 3.66Å
145H95.7Very high93.1Very high14 Ų1444.1 Ų44.17%0.06524%0.237CC..EExtended strand (participates in β ladder)trans-100.5134.5177.5-69.7-169.2000109.2S137 L138 E143 Y147 P156S137-H145 WeakPolarHBondContact CA-O 3.33Å; L138-H145 PolarHBondContact N-O 3.5Å; L138-H145 PolarHBondContact O-N 3.05Å; E143-H145 IonicContact OE2-CD2 3.24Å; E143-H145 IonicContact OE2-NE2 3.88Å; E143-H145 PolarHBondContact OE2-NE2 3.3Å; H145-Y147 HydrophobicContact CB-CE2 3.87Å; H145-P156 HydrophobicContact CB-CB 3.95Å; H145-P156 HydrophobicContact CB-CG 4.08Å
146M95.7Very high93.1Very high1 Ų144.2 Ų44.21%0.00524%0.238CC..EExtended strand (participates in β ladder)trans-112.2132.5178.2-57-71.4-6500110.1V135 C136 S137 I144 P156 Y157 T158 M170 L202V135-M146 HydrophobicContact CG1-CE 3.59Å; C136-M146 CarbonylContact O-C 3.5Å; C136-M146 WeakPolarHBondContact O-CA 3.41Å; S137-M146 WeakPolarHBondContact CB-SD 3.22Å; I144-M146 HydrophobicContact CG2-SD 4.38Å; M146-P156 CarbonylContact O-C 3.43Å; M146-P156 VanDerWaalsContact O-CA 3.25Å; M146-P156 WeakPolarHBondContact O-CA 3.25Å; M146-P156 WeakPolarHBondContact O-CB 3.31Å; M146-Y157 VanDerWaalsContact C-CE1 3.47Å; M146-Y157 HydrophobicContact CB-CD1 4.19Å; M146-Y157 HydrophobicContact CB-CE1 3.5Å; M146-Y157 VanDerWaalsContact CB-CE1 3.5Å; M146-Y157 HydrophobicContact CB-CE2 4.17Å; M146-Y157 VanDerWaalsContact CB-CZ 3.49Å; M146-Y157 WeakPolarHBondContact CE-OH 3.37Å; M146-Y157 WeakPolarHBondContact O-CD1 3.49Å; M146-Y157 PolarHBondContact O-N 3.13Å; M146-T158 HydrophobicContact CB-CG2 3.64Å; M146-T158 HydrophobicContact CG-CG2 3.58Å; M146-T158 PolarHBondContact N-O 3.01Å; M146-M170 HydrophobicContact CE-SD 3.81Å; M146-L202 HydrophobicContact CG-CD1 3.9Å; M146-L202 HydrophobicContact CG-CG 4.48Å
147Y95.3Very high93.1Very high9 Ų946.6 Ų46.64%0.03525%0.247CC..EExtended strand (participates in β ladder)trans-120135.5179-70.3-90.6000110.2Y117 V135 C136 L138 H145 L151 F152 P156 Y157Y117-Y147 PolarHBondContact OH-OH 3.11Å; V135-Y147 WeakPolarHBondContact CA-O 3.1Å; C136-Y147 PolarHBondContact N-O 3.16Å; C136-Y147 PolarHBondContact O-N 3.23Å; L138-Y147 HydrophobicContact CD1-CD2 3.96Å; L138-Y147 HydrophobicContact CD1-CE2 3.83Å; H145-Y147 HydrophobicContact CB-CE2 3.87Å; Y147-L151 WeakPolarHBondContact CD1-O 3.38Å; Y147-F152 AromaticContact CD1-CD1 3.95Å; Y147-F152 HydrophobicContact CD1-CD1 3.95Å; Y147-F152 HydrophobicContact CD2-CD1 4.02Å; Y147-F152 HydrophobicContact CD2-CE1 4.16Å; Y147-F152 HydrophobicContact CE1-CD1 4.33Å; Y147-F152 HydrophobicContact CE2-CD1 4.41Å; Y147-F152 AromaticContact CG-CD1 3.77Å; Y147-F152 HydrophobicContact CG-CD1 3.77Å; Y147-F152 HydrophobicContact CG-CE1 4.01Å; Y147-P156 HydrophobicContact CD1-CB 4.42Å; Y147-P156 HydrophobicContact CD2-CB 4.36Å; Y147-P156 HydrophobicContact CE1-CB 4.09Å; Y147-P156 HydrophobicContact CE2-CB 4.01Å; Y147-Y157 VanDerWaalsContact C-CE1 3.45Å
148S93Very high93Very high38 Ų3847.7 Ų47.727%0.26625%0.254SS..EExtended strand (participates in β ladder)trans-102.9141.7175.154.50000109.1S134 N150 L151 Y157S134-S148 CarbonylContact O-C 3.5Å; S148-N150 PolarHBondContact O-N 3.16Å; S148-L151 PolarHBondContact O-N 3.2Å; S148-Y157 VanDerWaalsContact N-CD1 3.33Å
149N91.9Very high93Very high114 Ų11452.6 Ų52.661%0.6128%0.275SS*.THydrogen-bonded Turntrans51.927.3178.4-57.6-38.3000113.9S134 L151S134-N149 PolarHBondContact O-N 2.78Å; N149-L151 HydrophobicContact CB-CG 4.44Å; N149-L151 PolarHBondContact O-N 3.16Å
150N90.9Very high93.1Very high14 Ų1452.1 Ų52.18%0.07527%0.274CS..THydrogen-bonded Turntrans56.328.4-179.2-55.2-71.5000114.8F83 W129 S133 S148 F152F83-N150 HydrophobicContact CD1-CB 4.18Å; F83-N150 HydrophobicContact CD2-CB 3.64Å; F83-N150 VanDerWaalsContact CD2-CG 3.43Å; F83-N150 HydrophobicContact CE1-CB 3.86Å; F83-N150 HydrophobicContact CE2-CB 3.3Å; F83-N150 VanDerWaalsContact CE2-ND2 3.28Å; F83-N150 WeakPolarHBondContact CE2-ND2 3.39Å; F83-N150 HydrophobicContact CG-CB 4.07Å; F83-N150 HydrophobicContact CZ-CB 3.41Å; F83-N150 VanDerWaalsContact CZ-CB 3.41Å; W129-N150 PolarHBondContact NE1-OD1 2.87Å; S133-N150 PolarHBondContact O-ND2 3.1Å; S133-N150 PolarHBondContact O-OD1 3.03Å; S148-N150 PolarHBondContact O-N 3.16Å; N150-F152 HydrophobicContact CB-CD2 4.22Å; N150-F152 HydrophobicContact CB-CE2 3.62Å; N150-F152 HydrophobicContact CB-CZ 4.1Å; N150-F152 WeakPolarHBondContact O-CD2 3.31Å; N150-F152 PolarHBondContact O-N 2.83Å
151L93.2Very high93.3Very high72 Ų7255.4 Ų55.438%0.37730%0.298SS..  trans-76.165.8176.4-64.1173.1000111.5Y147 S148 N149 S153 E154Y147-L151 WeakPolarHBondContact CD1-O 3.38Å; S148-L151 PolarHBondContact O-N 3.2Å; N149-L151 HydrophobicContact CB-CG 4.44Å; N149-L151 PolarHBondContact O-N 3.16Å; L151-S153 VanDerWaalsContact C-N 3.29Å; L151-S153 PolarHBondContact O-N 2.94Å; L151-E154 HydrophobicContact CB-CG 4.44Å; L151-E154 PolarHBondContact O-N 2.82Å
152F93.1Very high93.5Very high1 Ų150.3 Ų50.30%0.00427%0.27CS..THydrogen-bonded Turntrans-71.4-20.4-174.6-60.2-66.7000114.5F83 F85 V105 L114 K115 W129 C136 L138 Y147 N150 E154F83-F152 HydrophobicContact CB-CE2 4.28Å; F83-F152 HydrophobicContact CD1-CD2 4.44Å; F83-F152 HydrophobicContact CD1-CE2 4.12Å; F83-F152 HydrophobicContact CG-CE2 4.14Å; F85-F152 HydrophobicContact CE2-CE1 4.22Å; F85-F152 HydrophobicContact CE2-CE2 4.27Å; F85-F152 AromaticContact CE2-CZ 3.94Å; F85-F152 HydrophobicContact CE2-CZ 3.94Å; F85-F152 HydrophobicContact CZ-CD1 4.42Å; F85-F152 HydrophobicContact CZ-CE1 4.06Å; F85-F152 HydrophobicContact CZ-CZ 4.25Å; V105-F152 HydrophobicContact CG1-CB 4.28Å; V105-F152 HydrophobicContact CG1-CD2 3.58Å; V105-F152 HydrophobicContact CG1-CE2 3.99Å; V105-F152 HydrophobicContact CG1-CG 3.91Å; L114-F152 HydrophobicContact CB-CB 4.34Å; L114-F152 HydrophobicContact CD1-CD2 4.03Å; K115-F152 HydrophobicContact CB-CB 4.38Å; K115-F152 WeakPolarHBondContact CD-O 3.49Å; W129-F152 HydrophobicContact CZ2-CZ 4.26Å; C136-F152 HydrophobicContact CB-CE1 3.94Å; C136-F152 HydrophobicContact CB-CZ 3.98Å; L138-F152 HydrophobicContact CD1-CD1 4.36Å; L138-F152 HydrophobicContact CD1-CE1 4.14Å; Y147-F152 AromaticContact CD1-CD1 3.95Å; Y147-F152 HydrophobicContact CD1-CD1 3.95Å; Y147-F152 HydrophobicContact CD2-CD1 4.02Å; Y147-F152 HydrophobicContact CD2-CE1 4.16Å; Y147-F152 HydrophobicContact CE1-CD1 4.33Å; Y147-F152 HydrophobicContact CE2-CD1 4.41Å; Y147-F152 AromaticContact CG-CD1 3.77Å; Y147-F152 HydrophobicContact CG-CD1 3.77Å; Y147-F152 HydrophobicContact CG-CE1 4.01Å; N150-F152 HydrophobicContact CB-CD2 4.22Å; N150-F152 HydrophobicContact CB-CE2 3.62Å; N150-F152 HydrophobicContact CB-CZ 4.1Å; N150-F152 WeakPolarHBondContact O-CD2 3.31Å; N150-F152 PolarHBondContact O-N 2.83Å; F152-E154 VanDerWaalsContact C-N 3.27Å
153S88.3Confident93.7Very high74 Ų7457.2 Ų57.252%0.51729%0.29SS..THydrogen-bonded Turntrans-66-34.1174.746.70000111.3K115 L151K115-S153 PolarHBondContact NZ-O 3.13Å; L151-S153 VanDerWaalsContact C-N 3.29Å; L151-S153 PolarHBondContact O-N 2.94Å
154E90.8Very high93.5Very high113 Ų11357.1 Ų57.153%0.52830%0.302SS..SBendtrans-79.6176.7-179.7-61-176.8-170.100112.6L151 F152L151-E154 HydrophobicContact CB-CG 4.44Å; L151-E154 PolarHBondContact O-N 2.82Å; F152-E154 VanDerWaalsContact C-N 3.27Å
155K92.3Very high93.4Very high193 Ų19357.7 Ų57.784%0.83931%0.305SS*.  trans-72.5145.5169.8-68.6179.7-1781750108.7Y157K155-Y157 PolarHBondContact O-N 3Å
156P94.3Very high93.3Very high20 Ų2064.7 Ų64.713%0.1333%0.331CS..  trans-58.7141172.727.4-35.1000109.7H145 M146 Y147 T158 K159H145-P156 HydrophobicContact CB-CB 3.95Å; H145-P156 HydrophobicContact CB-CG 4.08Å; M146-P156 CarbonylContact O-C 3.43Å; M146-P156 VanDerWaalsContact O-CA 3.25Å; M146-P156 WeakPolarHBondContact O-CA 3.25Å; M146-P156 WeakPolarHBondContact O-CB 3.31Å; Y147-P156 HydrophobicContact CD1-CB 4.42Å; Y147-P156 HydrophobicContact CD2-CB 4.36Å; Y147-P156 HydrophobicContact CE1-CB 4.09Å; Y147-P156 HydrophobicContact CE2-CB 4.01Å; P156-T158 PolarHBondContact O-N 2.84Å; P156-K159 HydrophobicContact CB-CG 4.41Å; P156-K159 HydrophobicContact CG-CD 4.09Å; P156-K159 HydrophobicContact CG-CG 3.7Å
157Y94.4Very high93.2Very high49 Ų4968.6 Ų68.619%0.19235%0.349CS..SBendtrans-67.3-26.4-178.771.6-95000111.5M146 Y147 S148 K155 C197 N200M146-Y157 VanDerWaalsContact C-CE1 3.47Å; M146-Y157 HydrophobicContact CB-CD1 4.19Å; M146-Y157 HydrophobicContact CB-CE1 3.5Å; M146-Y157 VanDerWaalsContact CB-CE1 3.5Å; M146-Y157 HydrophobicContact CB-CE2 4.17Å; M146-Y157 VanDerWaalsContact CB-CZ 3.49Å; M146-Y157 WeakPolarHBondContact CE-OH 3.37Å; M146-Y157 WeakPolarHBondContact O-CD1 3.49Å; M146-Y157 PolarHBondContact O-N 3.13Å; Y147-Y157 VanDerWaalsContact C-CE1 3.45Å; S148-Y157 VanDerWaalsContact N-CD1 3.33Å; K155-Y157 PolarHBondContact O-N 3Å; Y157-C197 PolarHBondContact OH-SG 2.99Å; Y157-N200 HydrophobicContact CD2-CB 3.56Å; Y157-N200 HydrophobicContact CE2-CB 4.2Å; Y157-N200 HydrophobicContact CG-CB 4.41Å
158T95.1Very high93.2Very high23 Ų2368.6 Ų68.614%0.14135%0.349CS..EExtended strand (participates in β ladder)trans-150.2158.4171.8-158.10000112.1M146 P156 N200 L202M146-T158 HydrophobicContact CB-CG2 3.64Å; M146-T158 HydrophobicContact CG-CG2 3.58Å; M146-T158 PolarHBondContact N-O 3.01Å; P156-T158 PolarHBondContact O-N 2.84Å; T158-N200 VanDerWaalsContact CB-O 3.27Å; T158-N200 WeakPolarHBondContact CB-O 3.21Å; T158-N200 PolarHBondContact OG1-O 2.89Å; T158-L202 HydrophobicContact CG2-CD1 3.94Å; T158-L202 HydrophobicContact CG2-CG 3.8Å
159K95.5Very high93.4Very high107 Ų10767.7 Ų67.747%0.46534%0.343SS..EExtended strand (participates in β ladder)trans-136.7142.4179.6-61.1-179.3177-176.60109.7I144 P156I144-K159 CarbonylContact O-C 3.58Å; I144-K159 WeakPolarHBondContact O-CA 3.42Å; P156-K159 HydrophobicContact CB-CG 4.41Å; P156-K159 HydrophobicContact CG-CD 4.09Å; P156-K159 HydrophobicContact CG-CG 3.7Å
160L96.6Very high93.6Very high15 Ų1562.7 Ų62.78%0.07932%0.316CS..EExtended strand (participates in β ladder)trans-113109.9170.7-177.260.9000109.6I144 L162 L178 V180 Y195 L202I144-L160 HydrophobicContact CB-CB 4.31Å; I144-L160 HydrophobicContact CD1-CD2 4.38Å; I144-L160 PolarHBondContact N-O 3.4Å; I144-L160 PolarHBondContact O-N 3.45Å; L160-L162 HydrophobicContact CD1-CD1 3.96Å; L160-L162 HydrophobicContact CD1-CD2 4.29Å; L160-L162 HydrophobicContact CD1-CG 3.86Å; L160-L162 HydrophobicContact CD2-CD1 3.89Å; L160-L162 HydrophobicContact CG-CD1 3.89Å; L160-L162 HydrophobicContact CG-CG 3.97Å; L160-L178 HydrophobicContact CD2-CD2 3.8Å; L160-V180 HydrophobicContact CD2-CG2 3.75Å; L160-Y195 HydrophobicContact CD1-CD1 4.3Å; L160-Y195 HydrophobicContact CD1-CE1 3.82Å; L160-Y195 HydrophobicContact CD1-CE2 4.5Å; L160-Y195 HydrophobicContact CD2-CD1 4.37Å; L160-Y195 HydrophobicContact CD2-CD2 3.77Å; L160-Y195 HydrophobicContact CD2-CE1 4.33Å; L160-Y195 HydrophobicContact CD2-CE2 3.74Å; L160-Y195 HydrophobicContact CD2-CG 4.12Å; L160-L202 HydrophobicContact CB-CD1 3.68Å; L160-L202 HydrophobicContact CD2-CD1 4.41Å
161S94.5Very high93.9Very high81 Ų8162 Ų6257%0.56631%0.313SS*.EExtended strand (participates in β ladder)trans-102.9105.8175.3-153.70000108.5E143E143-S161 WeakPolarHBondContact OE1-CB 3.48Å; E143-S161 PolarHBondContact OE1-OG 2.93Å
162L93Very high93.8Very high33 Ų3361.2 Ų61.217%0.17331%0.311CS..  trans-128.3136.4173.1-60.5167.3000108.7L160 G164 I165 V180 I182 Y195L160-L162 HydrophobicContact CD1-CD1 3.96Å; L160-L162 HydrophobicContact CD1-CD2 4.29Å; L160-L162 HydrophobicContact CD1-CG 3.86Å; L160-L162 HydrophobicContact CD2-CD1 3.89Å; L160-L162 HydrophobicContact CG-CD1 3.89Å; L160-L162 HydrophobicContact CG-CG 3.97Å; L162-G164 PolarHBondContact O-N 2.84Å; L162-I165 HydrophobicContact CB-CD1 3.89Å; L162-I165 HydrophobicContact CB-CG1 3.82Å; L162-I165 WeakPolarHBondContact O-CG1 3.46Å; L162-V180 HydrophobicContact CD1-CG1 4.22Å; L162-I182 HydrophobicContact CB-CD1 3.97Å; L162-I182 HydrophobicContact CD1-CD1 3.94Å; L162-Y195 HydrophobicContact CD1-CE2 4.01Å; L162-Y195 WeakPolarHBondContact CD1-OH 3.46Å
163K92.4Very high93.6Very high181 Ų18161.9 Ų61.979%0.78732%0.316SS*.THydrogen-bonded Turntrans-67.4132.8175.8-169.3-177.8177.1-165.30109.6
164G92.2Very high93.4Very high48 Ų4862.3 Ų62.350%0.49532%0.318SS..THydrogen-bonded Turntrans83.115.2169.800000116L162 R166 P183L162-G164 PolarHBondContact O-N 2.84Å; G164-R166 PolarHBondContact O-N 3.05Å; G164-R166 VanDerWaalsContact O-N 3.12Å; G164-P183 WeakPolarHBondContact O-CD 3.49Å
165I93.9Very high93.3Very high12 Ų1263.2 Ų63.26%0.06232%0.323CS..  trans-53.8121.5174.4-60.9172.5000109.9F139 I144 L162 V180 I182F139-I165 HydrophobicContact CD2-CG2 4.34Å; F139-I165 HydrophobicContact CE2-CB 3.97Å; F139-I165 HydrophobicContact CE2-CD1 4.41Å; F139-I165 HydrophobicContact CE2-CG2 3.75Å; F139-I165 HydrophobicContact CZ-CB 4.5Å; F139-I165 HydrophobicContact CZ-CG2 4.47Å; I144-I165 HydrophobicContact CD1-CD1 4.05Å; I144-I165 HydrophobicContact CD1-CG2 4.48Å; I144-I165 HydrophobicContact CG1-CD1 4.17Å; L162-I165 HydrophobicContact CB-CD1 3.89Å; L162-I165 HydrophobicContact CB-CG1 3.82Å; L162-I165 WeakPolarHBondContact O-CG1 3.46Å; I165-V180 HydrophobicContact CB-CG1 4.32Å; I165-V180 HydrophobicContact CD1-CG1 4.15Å; I165-V180 HydrophobicContact CG1-CG1 3.74Å; I165-V180 HydrophobicContact CG2-CG1 3.87Å; I165-I182 HydrophobicContact CG1-CG1 4.41Å
166R92.1Very high93.3Very high161 Ų16154.2 Ų54.261%0.60828%0.284SS*.  trans-105.7-36.5177.4-173.465.1-175.6-173.26.6112.4G164 Y181 P183G164-R166 PolarHBondContact O-N 3.05Å; G164-R166 VanDerWaalsContact O-N 3.12Å; R166-Y181 HydrophobicContact CB-CD1 3.92Å; R166-Y181 HydrophobicContact CB-CE1 4.11Å; R166-Y181 HydrophobicContact CG-CD1 4.31Å; R166-Y181 HydrophobicContact CG-CE1 4.2Å; R166-Y181 PolarHBondContact N-O 2.57Å; R166-P183 HydrophobicContact CB-CG 4.1Å
167H93.6Very high93.4Very high82 Ų8253.8 Ų53.838%0.3828%0.28SS..EExtended strand (participates in β ladder)trans-151.1153.6179.7-169.952.6000110.2Y181H167-Y181 HydrophobicContact CB-CD1 4.15Å; H167-Y181 PolarHBondContact N-O 3.26Å; H167-Y181 PolarHBondContact O-N 3.35Å
168F96.1Very high93.5Very high10 Ų1051.5 Ų51.54%0.04427%0.271CS..EExtended strand (participates in β ladder)trans-147.2154.7174.879.7-79.3000110.4Q128 F139 I144 L178 A179 V180Q128-F168 HydrophobicContact CG-CE2 4.33Å; Q128-F168 HydrophobicContact CG-CZ 4.43Å; Q128-F168 PolarHBondContact NE2-O 2.86Å; F139-F168 HydrophobicContact CB-CD1 4.26Å; F139-F168 HydrophobicContact CB-CE1 3.61Å; F139-F168 HydrophobicContact CB-CZ 4.35Å; F139-F168 HydrophobicContact CG-CE1 4.48Å; I144-F168 HydrophobicContact CD1-CB 3.59Å; I144-F168 HydrophobicContact CD1-CD1 4.3Å; I144-F168 HydrophobicContact CD1-CD2 4.11Å; I144-F168 HydrophobicContact CD1-CG 3.72Å; I144-F168 HydrophobicContact CG1-CD1 4.33Å; I144-F168 HydrophobicContact CG1-CD2 4.5Å; I144-F168 HydrophobicContact CG1-CG 4.17Å; I144-F168 HydrophobicContact CG2-CD2 4.34Å; I144-F168 HydrophobicContact CG2-CE2 4.27Å; F168-L178 HydrophobicContact CD2-CD1 3.64Å; F168-L178 HydrophobicContact CE2-CD1 4.29Å; F168-A179 CarbonylContact C-O 3.58Å; F168-A179 WeakPolarHBondContact CA-O 3.45Å; F168-A179 WeakPolarHBondContact CB-O 3.27Å; F168-V180 HydrophobicContact CB-CG2 4.36Å
169S97.1Very high93.6Very high19 Ų1950.4 Ų50.413%0.13327%0.265CS..EExtended strand (participates in β ladder)trans-143.7128.3177.3178.60000110.6Q128 A179 W220Q128-S169 VanDerWaalsContact OE1-CA 3.28Å; S169-A179 PolarHBondContact N-O 2.97Å; S169-A179 PolarHBondContact O-N 3.36Å; S169-W220 PolarHBondContact O-NE1 2.92Å; S169-W220 VanDerWaalsContact O-NE1 3.1Å
170M96.7Very high93.6Very high8 Ų845.3 Ų45.34%0.03924%0.243CC..EExtended strand (participates in β ladder)trans-97.3137.5174.4-167.7173.276.500109.8Q128 N130 V135 S137 M146 P176 N177 L178Q128-M170 HydrophobicContact CB-CB 4.22Å; Q128-M170 WeakPolarHBondContact O-CE 3.31Å; N130-M170 VanDerWaalsContact N-CE 3.28Å; V135-M170 HydrophobicContact CG1-SD 4.21Å; S137-M170 PolarHBondContact OG-SD 3.28Å; S137-M170 VanDerWaalsContact OG-SD 3.37Å; M146-M170 HydrophobicContact CE-SD 3.81Å; M170-P176 HydrophobicContact CE-CB 4.37Å; M170-P176 HydrophobicContact CG-CB 3.56Å; M170-P176 HydrophobicContact CG-CG 4.35Å; M170-P176 HydrophobicContact SD-CB 3.86Å; M170-P176 HydrophobicContact SD-CG 4.01Å; M170-N177 CarbonylContact C-O 3.58Å; M170-N177 WeakPolarHBondContact CA-O 2.98Å; M170-L178 HydrophobicContact CB-CD1 4.19Å
171S95.8Very high93.6Very high1 Ų144.9 Ų44.91%0.00724%0.24CC..  trans-69.6156.3173.669.20000111.3S173 P176 N177S171-S173 VanDerWaalsContact C-N 3.31Å; S171-S173 PolarHBondContact OG-OG 3.18Å; S171-P176 WeakPolarHBondContact O-CB 3.36Å; S171-P176 WeakPolarHBondContact OG-CA 3.37Å; S171-N177 PolarHBondContact N-O 3.46Å; S171-N177 PolarHBondContact OG-N 2.81Å
172T91.7Very high93.7Very high55 Ų5541.5 Ų41.534%0.33722%0.216SC..  trans-86.81.8-178.950.20000113.9S131S131-T172 WeakPolarHBondContact CB-O 3.48Å; S131-T172 PolarHBondContact N-O 2.95Å; S131-T172 PolarHBondContact OG-O 2.94Å; S131-T172 VanDerWaalsContact OG-O 3.06Å
173S89Confident93.7Very high15 Ų1542.3 Ų42.311%0.10522%0.223CC..SBendtrans-66.6154.7-179.650.70000113N130 S171 Q175 R223N130-S173 WeakPolarHBondContact CB-O 3.39Å; S171-S173 VanDerWaalsContact C-N 3.31Å; S171-S173 PolarHBondContact OG-OG 3.18Å; S173-Q175 CarbonylContact O-C 3.57Å; S173-Q175 PolarHBondContact O-N 2.82Å; S173-Q175 PolarHBondContact OG-O 3.46Å; S173-R223 WeakPolarHBondContact CB-O 3.38Å
174S85.2Confident93.7Very high82 Ų8235 Ų3557%0.57320%0.198SC*.SBendtrans-53.8-39.9176.955.30000112.6N130 P176N130-S174 PolarHBondContact ND2-O 3.5Å; N130-S174 VanDerWaalsContact ND2-O 3.17Å; S174-P176 VanDerWaalsContact O-CD 3.27Å; S174-P176 WeakPolarHBondContact O-CD 3.32Å
175Q88Confident93.4Very high133 Ų13339.4 Ų39.462%0.62121%0.206SC*.SBendtrans-10296.2164.7-66.9-174.9-9.800109.1S173S173-Q175 CarbonylContact O-C 3.57Å; S173-Q175 PolarHBondContact O-N 2.82Å; S173-Q175 PolarHBondContact OG-O 3.46Å
176P93.1Very high93Very high4 Ų448 Ų483%0.02624%0.243CC..  trans-76143.9-173.628.6-34.5000112.5N130 V135 M170 S171 S174 C197N130-P176 HydrophobicContact CB-CB 4.42Å; N130-P176 HydrophobicContact CB-CG 4.42Å; V135-P176 HydrophobicContact CB-CG 3.93Å; V135-P176 HydrophobicContact CG1-CG 3.82Å; V135-P176 HydrophobicContact CG2-CG 4.21Å; M170-P176 HydrophobicContact CE-CB 4.37Å; M170-P176 HydrophobicContact CG-CB 3.56Å; M170-P176 HydrophobicContact CG-CG 4.35Å; M170-P176 HydrophobicContact SD-CB 3.86Å; M170-P176 HydrophobicContact SD-CG 4.01Å; S171-P176 WeakPolarHBondContact O-CB 3.36Å; S171-P176 WeakPolarHBondContact OG-CA 3.37Å; S174-P176 VanDerWaalsContact O-CD 3.27Å; S174-P176 WeakPolarHBondContact O-CD 3.32Å; P176-C197 VanDerWaalsContact O-CB 3.26Å; P176-C197 WeakPolarHBondContact O-CB 3.42Å
177N95.2Very high92.7Very high10 Ų1047.5 Ų47.55%0.05325%0.252CS..EExtended strand (participates in β ladder)trans-100.5152.3164.8-67-47.2000109.4M170 S171 Y195 Q196 W220 G224 A251M170-N177 CarbonylContact C-O 3.58Å; M170-N177 WeakPolarHBondContact CA-O 2.98Å; S171-N177 PolarHBondContact N-O 3.46Å; S171-N177 PolarHBondContact OG-N 2.81Å; N177-Y195 CarbonylContact C-O 3.56Å; N177-Y195 WeakPolarHBondContact CA-O 3.3Å; N177-Q196 VanDerWaalsContact OD1-CA 3.3Å; N177-Q196 WeakPolarHBondContact OD1-CA 3.42Å; N177-Q196 WeakPolarHBondContact OD1-CB 3.44Å; N177-Q196 VanDerWaalsContact OD1-CG 3.31Å; N177-Q196 WeakPolarHBondContact OD1-CG 3.38Å; N177-W220 HydrophobicContact CB-CH2 3.52Å; N177-W220 HydrophobicContact CB-CZ2 4Å; N177-W220 HydrophobicContact CB-CZ3 4.05Å; N177-G224 PolarHBondContact ND2-O 3.39Å; N177-A251 HydrophobicContact CB-CB 4.15Å; N177-A251 WeakPolarHBondContact ND2-CB 3.21Å
178L96.4Very high92.6Very high1 Ų149.7 Ų49.71%0.00526%0.263CS..EExtended strand (participates in β ladder)trans-119.3121.9-176.1-176.374000109.7I144 L160 F168 M170 V180 V194 Y195 L202I144-L178 HydrophobicContact CD1-CD2 4.06Å; I144-L178 HydrophobicContact CG2-CD1 4.36Å; I144-L178 HydrophobicContact CG2-CD2 4.05Å; L160-L178 HydrophobicContact CD2-CD2 3.8Å; F168-L178 HydrophobicContact CD2-CD1 3.64Å; F168-L178 HydrophobicContact CE2-CD1 4.29Å; M170-L178 HydrophobicContact CB-CD1 4.19Å; L178-V180 HydrophobicContact CD2-CG2 4.18Å; L178-V180 HydrophobicContact CG-CG2 4.15Å; L178-V194 CarbonylContact O-C 3.58Å; L178-V194 WeakPolarHBondContact O-CA 3.33Å; L178-Y195 PolarHBondContact N-O 3.41Å; L178-Y195 PolarHBondContact O-N 2.96Å; L178-L202 HydrophobicContact CB-CD2 4.32Å; L178-L202 HydrophobicContact CD2-CD1 3.92Å; L178-L202 HydrophobicContact CD2-CD2 4.18Å
179A97.2Very high92.5Very high0 Ų050.8 Ų50.80%027%0.271CS..EExtended strand (participates in β ladder)trans-102.4135.3172.200000110.1F168 S169 V192 R193 V194 L218 W220 L227F168-A179 CarbonylContact C-O 3.58Å; F168-A179 WeakPolarHBondContact CA-O 3.45Å; F168-A179 WeakPolarHBondContact CB-O 3.27Å; S169-A179 PolarHBondContact N-O 2.97Å; S169-A179 PolarHBondContact O-N 3.36Å; A179-V192 HydrophobicContact CB-CG1 4.32Å; A179-R193 CarbonylContact C-O 3.54Å; A179-R193 WeakPolarHBondContact CA-O 3.28Å; A179-V194 HydrophobicContact CB-CG2 4.46Å; A179-L218 HydrophobicContact CB-CD1 3.98Å; A179-W220 HydrophobicContact CB-CZ2 3.65Å; A179-L227 HydrophobicContact CB-CD1 4.43Å; A179-L227 HydrophobicContact CB-CD2 3.53Å
180V97Very high92.4Very high0 Ų050.3 Ų50.30%027%0.268CS..EExtended strand (participates in β ladder)trans-128.7124.7-177.8-174.90000109.7I144 L160 L162 I165 F168 L178 I182 V192 R193 Y195I144-V180 HydrophobicContact CD1-CG1 4.39Å; I144-V180 HydrophobicContact CD1-CG2 3.66Å; L160-V180 HydrophobicContact CD2-CG2 3.75Å; L162-V180 HydrophobicContact CD1-CG1 4.22Å; I165-V180 HydrophobicContact CB-CG1 4.32Å; I165-V180 HydrophobicContact CD1-CG1 4.15Å; I165-V180 HydrophobicContact CG1-CG1 3.74Å; I165-V180 HydrophobicContact CG2-CG1 3.87Å; F168-V180 HydrophobicContact CB-CG2 4.36Å; L178-V180 HydrophobicContact CD2-CG2 4.18Å; L178-V180 HydrophobicContact CG-CG2 4.15Å; V180-I182 HydrophobicContact CG1-CD1 4.31Å; V180-I182 HydrophobicContact CG1-CG1 4.25Å; V180-V192 CarbonylContact O-C 3.59Å; V180-V192 VanDerWaalsContact O-CA 3.28Å; V180-V192 WeakPolarHBondContact O-CA 3.45Å; V180-R193 PolarHBondContact N-O 2.87Å; V180-R193 PolarHBondContact O-N 2.95Å; V180-Y195 HydrophobicContact CG2-CD2 4.25Å; V180-Y195 HydrophobicContact CG2-CE2 4.28Å
181Y96.5Very high92.3Very high6 Ų652.2 Ų52.22%0.02428%0.276CS..EExtended strand (participates in β ladder)trans-96.8124.9174.8171.1-123.1000111R166 H167 P183 V192 F210 A213 V216R166-Y181 HydrophobicContact CB-CD1 3.92Å; R166-Y181 HydrophobicContact CB-CE1 4.11Å; R166-Y181 HydrophobicContact CG-CD1 4.31Å; R166-Y181 HydrophobicContact CG-CE1 4.2Å; R166-Y181 PolarHBondContact N-O 2.57Å; H167-Y181 HydrophobicContact CB-CD1 4.15Å; H167-Y181 PolarHBondContact N-O 3.26Å; H167-Y181 PolarHBondContact O-N 3.35Å; Y181-P183 HydrophobicContact CE1-CB 4.41Å; Y181-V192 HydrophobicContact CD2-CG2 4.14Å; Y181-F210 HydrophobicContact CD2-CZ 4.17Å; Y181-F210 AromaticContact CE2-CE2 3.96Å; Y181-F210 HydrophobicContact CE2-CE2 3.96Å; Y181-F210 HydrophobicContact CE2-CZ 4.07Å; Y181-A213 PolarHBondContact OH-O 2.88Å; Y181-V216 HydrophobicContact CD1-CB 4.16Å; Y181-V216 HydrophobicContact CD1-CG2 4.11Å; Y181-V216 HydrophobicContact CD2-CB 4.22Å; Y181-V216 HydrophobicContact CD2-CG2 3.63Å; Y181-V216 HydrophobicContact CE1-CB 4.35Å; Y181-V216 HydrophobicContact CE1-CG2 3.93Å; Y181-V216 HydrophobicContact CE2-CB 4.4Å; Y181-V216 HydrophobicContact CE2-CG2 3.42Å; Y181-V216 VanDerWaalsContact CE2-CG2 3.42Å; Y181-V216 HydrophobicContact CG-CB 4.09Å; Y181-V216 HydrophobicContact CG-CG2 3.97Å
182I95.3Very high92.4Very high11 Ų1152.2 Ų52.26%0.05628%0.276CS..EExtended strand (participates in β ladder)trans-124.2115.4174.4-65160.1000107.7L162 I165 V180 F191L162-I182 HydrophobicContact CB-CD1 3.97Å; L162-I182 HydrophobicContact CD1-CD1 3.94Å; I165-I182 HydrophobicContact CG1-CG1 4.41Å; V180-I182 HydrophobicContact CG1-CD1 4.31Å; V180-I182 HydrophobicContact CG1-CG1 4.25Å; I182-F191 HydrophobicContact CB-CD2 3.95Å; I182-F191 HydrophobicContact CB-CE1 4.36Å; I182-F191 HydrophobicContact CB-CE2 3.49Å; I182-F191 VanDerWaalsContact CB-CE2 3.49Å; I182-F191 HydrophobicContact CB-CZ 3.7Å; I182-F191 HydrophobicContact CD1-CD2 4.27Å; I182-F191 HydrophobicContact CD1-CE2 3.42Å; I182-F191 VanDerWaalsContact CD1-CE2 3.42Å; I182-F191 HydrophobicContact CD1-CZ 4.06Å; I182-F191 HydrophobicContact CG1-CE2 3.99Å; I182-F191 HydrophobicContact CG1-CZ 4.47Å; I182-F191 HydrophobicContact CG2-CE1 4.04Å; I182-F191 HydrophobicContact CG2-CE2 3.83Å; I182-F191 HydrophobicContact CG2-CZ 3.47Å; I182-F191 VanDerWaalsContact CG2-CZ 3.47Å; I182-F191 PolarHBondContact N-O 2.85Å; I182-F191 PolarHBondContact O-N 2.98Å
183P94.3Very high92.5Very high50 Ų5053.4 Ų53.433%0.32527%0.274SS..  trans-66.5142.4176.226.9-31.7000110.1G164 R166 Y181G164-P183 WeakPolarHBondContact O-CD 3.49Å; R166-P183 HydrophobicContact CB-CG 4.1Å; Y181-P183 HydrophobicContact CE1-CB 4.41Å
184G90.7Very high92.9Very high26 Ų2652.7 Ų52.727%0.26827%0.269SS..  trans-66.8144.6174.100000111.1P189 S190G184-P189 VanDerWaalsContact CA-O 3.26Å; G184-P189 WeakPolarHBondContact CA-O 3.49Å; G184-S190 VanDerWaalsContact N-CA 3.34Å; G184-S190 PolarHBondContact N-OG 2.98Å
185E87.7Confident93.3Very high141 Ų14149.5 Ų49.566%0.65925%0.245SC*.  trans-75.5179166.8-64.1-174.7178.100110.3N187 Q188E185-N187 PolarHBondContact O-N 3.15Å; E185-N187 VanDerWaalsContact O-N 3.13Å; E185-Q188 PolarHBondContact O-N 3.29Å
186K85.3Confident93.5Very high193 Ų19344.4 Ų44.484%0.83922%0.221SC*.THydrogen-bonded Turntrans-52.6122.1-176.8-168.5177.1-178.7-178.50111Q188K186-Q188 PolarHBondContact O-N 3.4Å
187N84.5Confident93.3Very high150 Ų15045.1 Ų45.180%0.80223%0.225SC*.THydrogen-bonded Turntrans6312.9-176.4-56.6-22.6000116E185E185-N187 PolarHBondContact O-N 3.15Å; E185-N187 VanDerWaalsContact O-N 3.13Å
188Q91.7Very high92.9Very high128 Ų12850.8 Ų50.860%0.59825%0.246SC*.SBendtrans-105.7146.7172.6-68.8-73.8-17.900109.7E185 K186E185-Q188 PolarHBondContact O-N 3.29Å; K186-Q188 PolarHBondContact O-N 3.4Å
189P94.1Very high92.3Very high33 Ų3358 Ų5821%0.21429%0.285CS..  trans-68.3150174.828.8-33.2000110.9G184 F211G184-P189 VanDerWaalsContact CA-O 3.26Å; G184-P189 WeakPolarHBondContact CA-O 3.49Å; P189-F211 HydrophobicContact CB-CD1 4.08Å; P189-F211 HydrophobicContact CB-CE1 3.71Å; P189-F211 HydrophobicContact CB-CE2 4.2Å; P189-F211 HydrophobicContact CB-CG 4.48Å; P189-F211 HydrophobicContact CB-CZ 3.78Å; P189-F211 HydrophobicContact CG-CE1 4.31Å; P189-F211 HydrophobicContact CG-CZ 4.2Å
190S95.3Very high91.7Very high10 Ų1062.7 Ų62.77%0.0731%0.31CS..EExtended strand (participates in β ladder)trans-75.9157.1162.5-62.80000109.8G184 S209 F210G184-S190 VanDerWaalsContact N-CA 3.34Å; G184-S190 PolarHBondContact N-OG 2.98Å; S190-S209 CarbonylContact O-C 3.58Å; S190-S209 VanDerWaalsContact O-CA 3.28Å; S190-S209 WeakPolarHBondContact O-CA 3.35Å; S190-F210 PolarHBondContact N-O 3.42Å; S190-F210 PolarHBondContact O-N 3.31Å; S190-F210 VanDerWaalsContact O-O 3.12Å
191F94.7Very high91.3Very high48 Ų4868.6 Ų68.621%0.21134%0.338CS..EExtended strand (participates in β ladder)trans-144.2149.4177.649.5-90000113.3I182 R193 K208I182-F191 HydrophobicContact CB-CD2 3.95Å; I182-F191 HydrophobicContact CB-CE1 4.36Å; I182-F191 HydrophobicContact CB-CE2 3.49Å; I182-F191 VanDerWaalsContact CB-CE2 3.49Å; I182-F191 HydrophobicContact CB-CZ 3.7Å; I182-F191 HydrophobicContact CD1-CD2 4.27Å; I182-F191 HydrophobicContact CD1-CE2 3.42Å; I182-F191 VanDerWaalsContact CD1-CE2 3.42Å; I182-F191 HydrophobicContact CD1-CZ 4.06Å; I182-F191 HydrophobicContact CG1-CE2 3.99Å; I182-F191 HydrophobicContact CG1-CZ 4.47Å; I182-F191 HydrophobicContact CG2-CE1 4.04Å; I182-F191 HydrophobicContact CG2-CE2 3.83Å; I182-F191 HydrophobicContact CG2-CZ 3.47Å; I182-F191 VanDerWaalsContact CG2-CZ 3.47Å; I182-F191 PolarHBondContact N-O 2.85Å; I182-F191 PolarHBondContact O-N 2.98Å; F191-R193 HydrophobicContact CD2-CG 3.96Å; F191-R193 HydrophobicContact CE2-CG 4.45Å; F191-R193 VanDerWaalsContact CE2-NE 3.29Å; F191-K208 CarbonylContact C-O 3.57Å; F191-K208 VanDerWaalsContact CA-O 3.27Å; F191-K208 WeakPolarHBondContact CA-O 3.46Å
192V96.6Very high91.2Very high0 Ų069.6 Ų69.60%034%0.343CS..EExtended strand (participates in β ladder)trans-108.3128.9163.31720000108.1A179 V180 Y181 N207 K208 F210 V216 L218 L227 I229A179-V192 HydrophobicContact CB-CG1 4.32Å; V180-V192 CarbonylContact O-C 3.59Å; V180-V192 VanDerWaalsContact O-CA 3.28Å; V180-V192 WeakPolarHBondContact O-CA 3.45Å; Y181-V192 HydrophobicContact CD2-CG2 4.14Å; V192-N207 CarbonylContact O-C 3.59Å; V192-N207 WeakPolarHBondContact O-CA 3.22Å; V192-K208 PolarHBondContact N-O 3.38Å; V192-K208 PolarHBondContact O-N 2.86Å; V192-F210 HydrophobicContact CB-CE1 4.3Å; V192-F210 HydrophobicContact CG2-CE1 3.81Å; V192-F210 HydrophobicContact CG2-CZ 3.76Å; V192-V216 HydrophobicContact CG2-CG1 4.41Å; V192-L218 HydrophobicContact CG1-CD2 4.15Å; V192-L218 HydrophobicContact CG2-CD2 3.88Å; V192-L227 HydrophobicContact CG1-CD2 4.03Å; V192-I229 HydrophobicContact CB-CD1 3.65Å; V192-I229 HydrophobicContact CB-CG1 4.4Å; V192-I229 HydrophobicContact CG1-CD1 3.78Å; V192-I229 HydrophobicContact CG1-CG1 4.27Å; V192-I229 HydrophobicContact CG2-CD1 3.95Å; V192-I229 HydrophobicContact CG2-CG1 4.28Å; V192-I229 HydrophobicContact CG2-CG2 3.96Å
193R95.3Very high91Very high81 Ų8172.8 Ų72.831%0.30636%0.359SS..EExtended strand (participates in β ladder)trans-111.6141.1173.1-71.2177.8-171.1-177.61.1109.8A179 V180 F191 Y195 N207A179-R193 CarbonylContact C-O 3.54Å; A179-R193 WeakPolarHBondContact CA-O 3.28Å; V180-R193 PolarHBondContact N-O 2.87Å; V180-R193 PolarHBondContact O-N 2.95Å; F191-R193 HydrophobicContact CD2-CG 3.96Å; F191-R193 HydrophobicContact CE2-CG 4.45Å; F191-R193 VanDerWaalsContact CE2-NE 3.29Å; R193-Y195 HydrophobicContact CB-CD2 4.36Å; R193-Y195 HydrophobicContact CB-CE2 3.58Å; R193-Y195 WeakPolarHBondContact CD-OH 3.31Å; R193-N207 HydrophobicContact CG-CB 4.15Å
194V96Very high91Very high0 Ų074.5 Ų74.50%036%0.363CS..EExtended strand (participates in β ladder)trans-112.4131.6176.8176.30000108.9L178 A179 T205 A206 W220 L227 I249 A251L178-V194 CarbonylContact O-C 3.58Å; L178-V194 WeakPolarHBondContact O-CA 3.33Å; A179-V194 HydrophobicContact CB-CG2 4.46Å; V194-T205 PolarHBondContact O-N 3.43Å; V194-A206 HydrophobicContact CB-CB 4.34Å; V194-A206 PolarHBondContact N-O 3.46Å; V194-A206 PolarHBondContact O-N 3.43Å; V194-W220 HydrophobicContact CG1-CH2 3.81Å; V194-W220 HydrophobicContact CG2-CH2 4.37Å; V194-L227 HydrophobicContact CG2-CD2 4.18Å; V194-I249 HydrophobicContact CG2-CD1 3.91Å; V194-I249 HydrophobicContact CG2-CG1 4.33Å; V194-I249 HydrophobicContact CG2-CG2 3.99Å; V194-A251 HydrophobicContact CG1-CB 3.65Å
195Y94.8Very high91Very high15 Ų1574.3 Ų74.36%0.05936%0.356CS..EExtended strand (participates in β ladder)trans-120.2134.3178-64.3-98.3000109.2L160 L162 N177 L178 V180 R193 L202 I203 H204L160-Y195 HydrophobicContact CD1-CD1 4.3Å; L160-Y195 HydrophobicContact CD1-CE1 3.82Å; L160-Y195 HydrophobicContact CD1-CE2 4.5Å; L160-Y195 HydrophobicContact CD2-CD1 4.37Å; L160-Y195 HydrophobicContact CD2-CD2 3.77Å; L160-Y195 HydrophobicContact CD2-CE1 4.33Å; L160-Y195 HydrophobicContact CD2-CE2 3.74Å; L160-Y195 HydrophobicContact CD2-CG 4.12Å; L162-Y195 HydrophobicContact CD1-CE2 4.01Å; L162-Y195 WeakPolarHBondContact CD1-OH 3.46Å; N177-Y195 CarbonylContact C-O 3.56Å; N177-Y195 WeakPolarHBondContact CA-O 3.3Å; L178-Y195 PolarHBondContact N-O 3.41Å; L178-Y195 PolarHBondContact O-N 2.96Å; V180-Y195 HydrophobicContact CG2-CD2 4.25Å; V180-Y195 HydrophobicContact CG2-CE2 4.28Å; R193-Y195 HydrophobicContact CB-CD2 4.36Å; R193-Y195 HydrophobicContact CB-CE2 3.58Å; R193-Y195 WeakPolarHBondContact CD-OH 3.31Å; Y195-L202 HydrophobicContact CD1-CB 4.25Å; Y195-I203 CarbonylContact C-O 3.46Å; Y195-I203 WeakPolarHBondContact CA-O 3.41Å; Y195-H204 HydrophobicContact CD1-CB 3.93Å; Y195-H204 HydrophobicContact CE1-CB 3.64Å
196Q92.4Very high91.3Very high25 Ų2567.8 Ų67.812%0.11733%0.327CS..EExtended strand (participates in β ladder)trans-94.5132.9171.7-178.6161.325.700110.3N177 R198 I203 T205N177-Q196 VanDerWaalsContact OD1-CA 3.3Å; N177-Q196 WeakPolarHBondContact OD1-CA 3.42Å; N177-Q196 WeakPolarHBondContact OD1-CB 3.44Å; N177-Q196 VanDerWaalsContact OD1-CG 3.31Å; N177-Q196 WeakPolarHBondContact OD1-CG 3.38Å; Q196-R198 HydrophobicContact CG-CG 3.98Å; Q196-R198 VanDerWaalsContact NE2-NE 3.12Å; Q196-R198 VanDerWaalsContact NE2-NH2 3.19Å; Q196-R198 PolarHBondContact O-N 2.78Å; Q196-I203 PolarHBondContact N-O 2.88Å; Q196-I203 PolarHBondContact O-N 3.03Å; Q196-T205 WeakPolarHBondContact CB-OG1 3.19Å
197C88.8Confident91.7Very high19 Ų1962.8 Ų62.813%0.12831%0.309CS..EExtended strand (participates in β ladder)trans-82.8105.3171.8-171.60000109.6Y157 P176 Q201 L202Y157-C197 PolarHBondContact OH-SG 2.99Å; P176-C197 VanDerWaalsContact O-CB 3.26Å; P176-C197 WeakPolarHBondContact O-CB 3.42Å; C197-Q201 WeakPolarHBondContact CA-O 3.46Å; C197-L202 HydrophobicContact CB-CD2 4.24Å
198R85.8Confident92.2Very high129 Ų12957.2 Ų57.249%0.48728%0.278SS..EExtended strand (participates in β ladder)trans-135.2138.3176-86.2175.3-170.6-176.87.7109.5Q196 N200 Q201 I203Q196-R198 HydrophobicContact CG-CG 3.98Å; Q196-R198 VanDerWaalsContact NE2-NE 3.12Å; Q196-R198 VanDerWaalsContact NE2-NH2 3.19Å; Q196-R198 PolarHBondContact O-N 2.78Å; R198-N200 PolarHBondContact O-N 2.91Å; R198-N200 VanDerWaalsContact O-N 3.16Å; R198-Q201 PolarHBondContact N-O 2.8Å; R198-Q201 WeakPolarHBondContact O-CA 3.48Å; R198-Q201 PolarHBondContact O-N 2.79Å; R198-Q201 VanDerWaalsContact O-O 3.07Å; R198-I203 HydrophobicContact CB-CD1 3.94Å
199D84.2Confident92.3Very high152 Ų15254.2 Ų54.281%0.81327%0.271SS*.THydrogen-bonded Turntrans48.944.6175.3-53.8-38000113.5Q201D199-Q201 PolarHBondContact O-N 3.26Å
200N84.1Confident92.3Very high99 Ų9952.9 Ų52.953%0.52926%0.262SS..THydrogen-bonded Turntrans58.126.2-177.2-65.9-21000114.3Y157 T158 R198Y157-N200 HydrophobicContact CD2-CB 3.56Å; Y157-N200 HydrophobicContact CE2-CB 4.2Å; Y157-N200 HydrophobicContact CG-CB 4.41Å; T158-N200 VanDerWaalsContact CB-O 3.27Å; T158-N200 WeakPolarHBondContact CB-O 3.21Å; T158-N200 PolarHBondContact OG1-O 2.89Å; R198-N200 PolarHBondContact O-N 2.91Å; R198-N200 VanDerWaalsContact O-N 3.16Å
201Q89.9Confident92Very high125 Ų12558.8 Ų58.858%0.58429%0.287SS*.EExtended strand (participates in β ladder)trans-129.4154175.4-62.8-171.51.900111.2C197 R198 D199C197-Q201 WeakPolarHBondContact CA-O 3.46Å; R198-Q201 PolarHBondContact N-O 2.8Å; R198-Q201 WeakPolarHBondContact O-CA 3.48Å; R198-Q201 PolarHBondContact O-N 2.79Å; R198-Q201 VanDerWaalsContact O-O 3.07Å; D199-Q201 PolarHBondContact O-N 3.26Å
202L93Very high91.5Very high26 Ų2665.8 Ų65.814%0.13631%0.311CS..EExtended strand (participates in β ladder)trans-99.5103172-72.2169.1000109.1M146 T158 L160 L178 Y195 C197M146-L202 HydrophobicContact CG-CD1 3.9Å; M146-L202 HydrophobicContact CG-CG 4.48Å; T158-L202 HydrophobicContact CG2-CD1 3.94Å; T158-L202 HydrophobicContact CG2-CG 3.8Å; L160-L202 HydrophobicContact CB-CD1 3.68Å; L160-L202 HydrophobicContact CD2-CD1 4.41Å; L178-L202 HydrophobicContact CB-CD2 4.32Å; L178-L202 HydrophobicContact CD2-CD1 3.92Å; L178-L202 HydrophobicContact CD2-CD2 4.18Å; Y195-L202 HydrophobicContact CD1-CB 4.25Å; C197-L202 HydrophobicContact CB-CD2 4.24Å
203I92.6Very high91.1Very high78 Ų7866.3 Ų66.340%0.432%0.316SS..EExtended strand (participates in β ladder)trans-94.3122.6-178.6-54.5177.2000108.3Y195 Q196 R198 T205Y195-I203 CarbonylContact C-O 3.46Å; Y195-I203 WeakPolarHBondContact CA-O 3.41Å; Q196-I203 PolarHBondContact N-O 2.88Å; Q196-I203 PolarHBondContact O-N 3.03Å; R198-I203 HydrophobicContact CB-CD1 3.94Å; I203-T205 PolarHBondContact O-N 3.38Å; I203-T205 PolarHBondContact O-OG1 3.34Å
204H92.9Very high90.8Very high86 Ų8666.3 Ų66.340%0.39832%0.322SS..EExtended strand (participates in β ladder)trans-66.6123.4175.3173.6-100.2000110.6Y195 A206Y195-H204 HydrophobicContact CD1-CB 3.93Å; Y195-H204 HydrophobicContact CE1-CB 3.64Å; H204-A206 PolarHBondContact NE2-O 3.14Å
205T92.1Very high90.7Very high22 Ų2269.9 Ų69.914%0.13534%0.344CS..EExtended strand (participates in β ladder)trans-113.9-34.8-173.9-41.60000113.2V194 Q196 I203 A251 S254V194-T205 PolarHBondContact O-N 3.43Å; Q196-T205 WeakPolarHBondContact CB-OG1 3.19Å; I203-T205 PolarHBondContact O-N 3.38Å; I203-T205 PolarHBondContact O-OG1 3.34Å; T205-A251 VanDerWaalsContact CG2-O 3.25Å; T205-A251 WeakPolarHBondContact CG2-O 3.27Å; T205-S254 PolarHBondContact O-OG 3.23Å
206A93.7Very high90.7Very high4 Ų469.9 Ų69.93%0.03335%0.346CS..EExtended strand (participates in β ladder)trans-154.2154.9-175.800000111.8V194 H204 I249V194-A206 HydrophobicContact CB-CB 4.34Å; V194-A206 PolarHBondContact N-O 3.46Å; V194-A206 PolarHBondContact O-N 3.43Å; H204-A206 PolarHBondContact NE2-O 3.14Å; A206-I249 HydrophobicContact CB-CD1 3.58Å; A206-I249 HydrophobicContact CB-CG1 3.7Å
207N93.4Very high90.9Very high88 Ų8877 Ų7747%0.47137%0.371SS..EExtended strand (participates in β ladder)trans-140.5148.4174.174.998.3000111V192 R193V192-N207 CarbonylContact O-C 3.59Å; V192-N207 WeakPolarHBondContact O-CA 3.22Å; R193-N207 HydrophobicContact CG-CB 4.15Å
208K95Very high91.3Very high33 Ų3376.9 Ų76.914%0.14337%0.369CS..EExtended strand (participates in β ladder)trans-134.2122170.1-174.658.4161.5-165.70110F191 V192 F210 I229 Y247 I249 S257F191-K208 CarbonylContact C-O 3.57Å; F191-K208 VanDerWaalsContact CA-O 3.27Å; F191-K208 WeakPolarHBondContact CA-O 3.46Å; V192-K208 PolarHBondContact N-O 3.38Å; V192-K208 PolarHBondContact O-N 2.86Å; K208-F210 HydrophobicContact CG-CD1 4.35Å; K208-I229 HydrophobicContact CB-CD1 4.22Å; K208-Y247 HydrophobicContact CG-CD1 4.36Å; K208-Y247 HydrophobicContact CG-CG 4.46Å; K208-I249 HydrophobicContact CB-CD1 4.11Å; K208-S257 PolarHBondContact NZ-OG 2.84Å
209S94.6Very high91.8Very high65 Ų6573.4 Ų73.446%0.45536%0.36SS..EExtended strand (participates in β ladder)trans-95.4145.4172.957.80000111.6S190S190-S209 CarbonylContact O-C 3.58Å; S190-S209 VanDerWaalsContact O-CA 3.28Å; S190-S209 WeakPolarHBondContact O-CA 3.35Å
210F94Very high92.4Very high6 Ų667.7 Ų67.73%0.02633%0.327CS..EExtended strand (participates in β ladder)trans-152.5152.4175.742.7-99.7000110.6Y181 S190 V192 K208 A213 V216 I229 T231 Y247Y181-F210 HydrophobicContact CD2-CZ 4.17Å; Y181-F210 AromaticContact CE2-CE2 3.96Å; Y181-F210 HydrophobicContact CE2-CE2 3.96Å; Y181-F210 HydrophobicContact CE2-CZ 4.07Å; S190-F210 PolarHBondContact N-O 3.42Å; S190-F210 PolarHBondContact O-N 3.31Å; S190-F210 VanDerWaalsContact O-O 3.12Å; V192-F210 HydrophobicContact CB-CE1 4.3Å; V192-F210 HydrophobicContact CG2-CE1 3.81Å; V192-F210 HydrophobicContact CG2-CZ 3.76Å; K208-F210 HydrophobicContact CG-CD1 4.35Å; F210-A213 HydrophobicContact CD2-CB 3.53Å; F210-A213 HydrophobicContact CE2-CB 3.41Å; F210-A213 VanDerWaalsContact CE2-CB 3.41Å; F210-V216 HydrophobicContact CE2-CG2 4.05Å; F210-V216 HydrophobicContact CZ-CG2 4.02Å; F210-I229 HydrophobicContact CE1-CG2 3.88Å; F210-I229 HydrophobicContact CZ-CG2 4.1Å; F210-T231 HydrophobicContact CD1-CG2 4.17Å; F210-T231 HydrophobicContact CD2-CG2 3.53Å; F210-T231 HydrophobicContact CE1-CG2 4.13Å; F210-T231 HydrophobicContact CE2-CG2 3.45Å; F210-T231 VanDerWaalsContact CE2-CG2 3.45Å; F210-T231 HydrophobicContact CG-CG2 3.88Å; F210-T231 HydrophobicContact CZ-CG2 3.76Å; F210-Y247 HydrophobicContact CB-CE1 3.97Å; F210-Y247 HydrophobicContact CB-CE2 3.93Å; F210-Y247 WeakPolarHBondContact CB-OH 3.36Å; F210-Y247 HydrophobicContact CD1-CD2 4.23Å; F210-Y247 HydrophobicContact CD1-CE2 4.25Å; F210-Y247 HydrophobicContact CG-CE2 4.12Å
211F88.8Confident92.9Very high134 Ų13463 Ų6359%0.58830%0.302SS*.SBendtrans-97.6166.4172.8-66.3-81.6000110.2P189P189-F211 HydrophobicContact CB-CD1 4.08Å; P189-F211 HydrophobicContact CB-CE1 3.71Å; P189-F211 HydrophobicContact CB-CE2 4.2Å; P189-F211 HydrophobicContact CB-CG 4.48Å; P189-F211 HydrophobicContact CB-CZ 3.78Å; P189-F211 HydrophobicContact CG-CE1 4.31Å; P189-F211 HydrophobicContact CG-CZ 4.2Å
212R83Confident92.9Very high194 Ų19459 Ų5973%0.73228%0.284SS*.SBendtrans56.656.6173.3-57.4-177.6177.3176.7-0.7113.3T233R212-T233 HydrophobicContact CB-CG2 3.82Å; R212-T233 VanDerWaalsContact O-CG2 3.23Å; R212-T233 WeakPolarHBondContact O-CG2 3.22Å
213A88.7Confident92.8Very high11 Ų1161.8 Ų61.89%0.09129%0.293CS..  trans-128.9105.8175.200000110.2Y181 F210 V216 T231Y181-A213 PolarHBondContact OH-O 2.88Å; F210-A213 HydrophobicContact CD2-CB 3.53Å; F210-A213 HydrophobicContact CE2-CB 3.41Å; F210-A213 VanDerWaalsContact CE2-CB 3.41Å; A213-V216 HydrophobicContact CB-CG2 4.36Å; A213-T231 HydrophobicContact CB-CG2 3.92Å
214D89.9Confident92.8Very high82 Ų8258 Ų5844%0.43927%0.274SS..SBendtrans-85-35.9170.6-73.4-52.5000111.1S232 T233 K234D214-S232 PolarHBondContact N-O 3.04Å; D214-T233 WeakPolarHBondContact OD2-CA 3.28Å; D214-K234 HydrophobicContact CB-CD 4.27Å; D214-K234 HydrophobicContact CB-CG 3.82Å; D214-K234 PolarHBondContact OD2-N 2.99Å
215T92.2Very high92.7Very high74 Ų7455.7 Ų55.745%0.45427%0.266SS..EExtended strand (participates in β ladder)trans-132.3152.2179.8640000110.4T231 S232T215-T231 WeakPolarHBondContact O-CA 3.23Å; T215-S232 PolarHBondContact N-O 3.11Å; T215-S232 PolarHBondContact O-N 2.77Å; T215-S232 PolarHBondContact OG1-O 2.79Å
216V95.6Very high92.8Very high16 Ų1654.8 Ų54.810%0.09726%0.26CS..EExtended strand (participates in β ladder)trans-137.2136.8179.4176.90000109.4Y181 V192 F210 A213 L218 I229 L230 T231Y181-V216 HydrophobicContact CD1-CB 4.16Å; Y181-V216 HydrophobicContact CD1-CG2 4.11Å; Y181-V216 HydrophobicContact CD2-CB 4.22Å; Y181-V216 HydrophobicContact CD2-CG2 3.63Å; Y181-V216 HydrophobicContact CE1-CB 4.35Å; Y181-V216 HydrophobicContact CE1-CG2 3.93Å; Y181-V216 HydrophobicContact CE2-CB 4.4Å; Y181-V216 HydrophobicContact CE2-CG2 3.42Å; Y181-V216 VanDerWaalsContact CE2-CG2 3.42Å; Y181-V216 HydrophobicContact CG-CB 4.09Å; Y181-V216 HydrophobicContact CG-CG2 3.97Å; V192-V216 HydrophobicContact CG2-CG1 4.41Å; F210-V216 HydrophobicContact CE2-CG2 4.05Å; F210-V216 HydrophobicContact CZ-CG2 4.02Å; A213-V216 HydrophobicContact CB-CG2 4.36Å; V216-L218 HydrophobicContact CG1-CD2 3.5Å; V216-L218 HydrophobicContact CG1-CG 4.09Å; V216-I229 HydrophobicContact CG1-CG2 3.57Å; V216-L230 CarbonylContact C-O 3.55Å; V216-L230 VanDerWaalsContact CA-O 3.28Å; V216-L230 WeakPolarHBondContact CA-O 3.38Å; V216-T231 HydrophobicContact CG2-CG2 4.2Å
217R96.6Very high93Very high173 Ų17354.6 Ų54.665%0.65326%0.259SS*.EExtended strand (participates in β ladder)trans-109.6133.4162.4-61.7-172.3-176.2-173.42.2109.4I229 L230R217-I229 WeakPolarHBondContact O-CA 3.47Å; R217-L230 HydrophobicContact CB-CB 4.31Å; R217-L230 PolarHBondContact N-O 3.01Å; R217-L230 PolarHBondContact O-N 3.43Å
218L97.3Very high93.2Very high17 Ų1750.4 Ų50.49%0.08924%0.236CC..EExtended strand (participates in β ladder)trans-109.5119.8-179.7-57.9178.4000107.7A179 V192 V216 L227 I229A179-L218 HydrophobicContact CB-CD1 3.98Å; V192-L218 HydrophobicContact CG1-CD2 4.15Å; V192-L218 HydrophobicContact CG2-CD2 3.88Å; V216-L218 HydrophobicContact CG1-CD2 3.5Å; V216-L218 HydrophobicContact CG1-CG 4.09Å; L218-L227 HydrophobicContact CB-CD1 4.01Å; L218-L227 HydrophobicContact CD2-CD2 4.3Å; L218-I229 HydrophobicContact CD2-CG1 4.06Å; L218-I229 HydrophobicContact CD2-CG2 4.19Å
219L97.4Very high93.3Very high56 Ų5648.9 Ų48.929%0.29323%0.23SC..EExtended strand (participates in β ladder)trans-123.6104.9-173.8-65.1163.1000108.8L227 L228 I271 F273L219-L227 WeakPolarHBondContact O-CA 3.36Å; L219-L227 WeakPolarHBondContact O-CD1 3.48Å; L219-L228 HydrophobicContact CB-CB 4.17Å; L219-L228 PolarHBondContact N-O 2.77Å; L219-L228 PolarHBondContact O-N 2.87Å; L219-I271 HydrophobicContact CD1-CB 3.84Å; L219-I271 HydrophobicContact CD1-CD1 3.99Å; L219-I271 HydrophobicContact CD1-CG2 3.9Å; L219-F273 HydrophobicContact CB-CE2 4.49Å; L219-F273 WeakPolarHBondContact O-CE2 3.45Å
220W96.2Very high93.4Very high32 Ų3246.4 Ų46.412%0.12121%0.211CC..EExtended strand (participates in β ladder)trans-81146.4174.8-73.1104.7000110.8S169 N177 A179 V194 G224 L227 A251S169-W220 PolarHBondContact O-NE1 2.92Å; S169-W220 VanDerWaalsContact O-NE1 3.1Å; N177-W220 HydrophobicContact CB-CH2 3.52Å; N177-W220 HydrophobicContact CB-CZ2 4Å; N177-W220 HydrophobicContact CB-CZ3 4.05Å; A179-W220 HydrophobicContact CB-CZ2 3.65Å; V194-W220 HydrophobicContact CG1-CH2 3.81Å; V194-W220 HydrophobicContact CG2-CH2 4.37Å; W220-G224 VanDerWaalsContact CZ3-O 3.27Å; W220-G224 WeakPolarHBondContact CZ3-O 3.34Å; W220-L227 HydrophobicContact CD2-CB 4.17Å; W220-L227 HydrophobicContact CD2-CD1 3.66Å; W220-L227 HydrophobicContact CD2-CG 4.49Å; W220-L227 HydrophobicContact CE3-CB 3.86Å; W220-L227 HydrophobicContact CE3-CD1 4.24Å; W220-L227 HydrophobicContact CG-CD1 3.82Å; W220-L227 HydrophobicContact CH2-CB 4.21Å; W220-L227 HydrophobicContact CZ2-CD1 4.28Å; W220-L227 HydrophobicContact CZ2-CD2 4.44Å; W220-L227 HydrophobicContact CZ3-CB 3.88Å; W220-A251 HydrophobicContact CH2-CB 4.05Å; W220-A251 HydrophobicContact CZ3-CB 3.93Å
221N94.3Very high93.6Very high2 Ų246.2 Ų46.21%0.01121%0.211CC..  trans-69.1162.5160.373.1-29.4000110.5R223 G224 T225 D226 F273 E293N221-R223 PolarHBondContact O-N 2.9Å; N221-G224 WeakPolarHBondContact O-CA 3.38Å; N221-G224 PolarHBondContact O-N 2.86Å; N221-G224 WeakPolarHBondContact OD1-CA 3.13Å; N221-G224 PolarHBondContact OD1-N 3.21Å; N221-T225 PolarHBondContact ND2-OG1 3.06Å; N221-T225 PolarHBondContact OD1-N 3.01Å; N221-D226 PolarHBondContact N-O 3.07Å; N221-D226 PolarHBondContact OD1-N 3.5Å; N221-D226 PolarHBondContact OD1-O 2.93Å; N221-D226 VanDerWaalsContact OD1-O 3.12Å; N221-F273 HydrophobicContact CB-CD1 3.74Å; N221-F273 HydrophobicContact CB-CD2 4.32Å; N221-F273 HydrophobicContact CB-CE1 3.8Å; N221-F273 HydrophobicContact CB-CE2 4.37Å; N221-F273 HydrophobicContact CB-CG 4.01Å; N221-F273 HydrophobicContact CB-CZ 4.1Å; N221-E293 PolarHBondContact ND2-OE1 2.87Å
222D90.5Very high93.9Very high39 Ų3940.5 Ų40.521%0.20919%0.187CC..THydrogen-bonded Turntrans-53.1-38.6-179.7-89.92.2000113.5G224 P275 T276 N277D222-G224 VanDerWaalsContact C-N 3.26Å; D222-G224 PolarHBondContact O-N 3.21Å; D222-P275 VanDerWaalsContact OD2-CA 3.31Å; D222-P275 WeakPolarHBondContact OD2-CA 3.38Å; D222-T276 WeakPolarHBondContact CB-OG1 3.36Å; D222-T276 PolarHBondContact OD2-N 3.33Å; D222-N277 WeakPolarHBondContact CB-ND2 3.42Å; D222-N277 WeakPolarHBondContact CB-OD1 3.26Å; D222-N277 VanDerWaalsContact CG-CG 3.45Å; D222-N277 PolarHBondContact OD1-ND2 2.83Å; D222-N277 VanDerWaalsContact OD2-CG 3.3Å; D222-N277 PolarHBondContact OD2-N 2.64Å; D222-N277 VanDerWaalsContact OD2-N 3.11Å; D222-N277 PolarHBondContact OD2-ND2 3.31Å; D222-N277 VanDerWaalsContact OD2-ND2 3.16Å
223R89.5Confident94.4Very high85 Ų8532 Ų3232%0.32116%0.157SC..THydrogen-bonded Turntrans-76.3-10.9177.8-63-174.5171.2156.5-2.8114.4S173 N221 T225 I291 E293S173-R223 WeakPolarHBondContact CB-O 3.38Å; N221-R223 PolarHBondContact O-N 2.9Å; R223-T225 HydrophobicContact CB-CG2 4.1Å; R223-T225 PolarHBondContact O-N 3.39Å; R223-I291 VanDerWaalsContact NH2-CB 3.28Å; R223-E293 WeakPolarHBondContact CD-OE2 3.15Å; R223-E293 IonicContact CZ-OE2 3.72Å; R223-E293 IonicContact NE-OE2 2.68Å; R223-E293 IonicContact NH1-OE2 3.99Å; R223-E293 PolarHBondContact NH1-OE2 3.46Å
224G92.4Very high94.3Very high0 Ų039 Ų390%019%0.185CC..SBendtrans6616.6-175.600000114.8N177 W220 N221 D222N177-G224 PolarHBondContact ND2-O 3.39Å; W220-G224 VanDerWaalsContact CZ3-O 3.27Å; W220-G224 WeakPolarHBondContact CZ3-O 3.34Å; N221-G224 WeakPolarHBondContact O-CA 3.38Å; N221-G224 PolarHBondContact O-N 2.86Å; N221-G224 WeakPolarHBondContact OD1-CA 3.13Å; N221-G224 PolarHBondContact OD1-N 3.21Å; D222-G224 VanDerWaalsContact C-N 3.26Å; D222-G224 PolarHBondContact O-N 3.21Å
225T92.1Very high94.2Very high36 Ų3642.4 Ų42.422%0.22120%0.203CC..SBendtrans-88.5-22.5-178.852.50000113.1N221 R223 S250 A251 S252N221-T225 PolarHBondContact ND2-OG1 3.06Å; N221-T225 PolarHBondContact OD1-N 3.01Å; R223-T225 HydrophobicContact CB-CG2 4.1Å; R223-T225 PolarHBondContact O-N 3.39Å; T225-S250 PolarHBondContact O-OG 3Å; T225-A251 WeakPolarHBondContact O-CA 3.48Å; T225-A251 WeakPolarHBondContact O-CB 3.49Å; T225-A251 PolarHBondContact O-N 2.98Å; T225-S252 PolarHBondContact O-N 3.05Å
226D94.4Very high93.9Very high4 Ų440.2 Ų40.22%0.02119%0.191CC..EExtended strand (participates in β ladder)trans-141.4143.1-170.2-58-76.4000110.3N221 F248 S250 R253 L311N221-D226 PolarHBondContact N-O 3.07Å; N221-D226 PolarHBondContact OD1-N 3.5Å; N221-D226 PolarHBondContact OD1-O 2.93Å; N221-D226 VanDerWaalsContact OD1-O 3.12Å; D226-F248 HydrophobicContact CB-CE2 3.71Å; D226-F248 HydrophobicContact CB-CZ 3.78Å; D226-F248 VanDerWaalsContact OD1-CZ 3.32Å; D226-F248 WeakPolarHBondContact OD1-CZ 3.41Å; D226-S250 VanDerWaalsContact OD1-CB 3.25Å; D226-S250 WeakPolarHBondContact OD1-CB 3.34Å; D226-S250 PolarHBondContact OD1-OG 3.1Å; D226-R253 IonicContact OD1-NH2 2.85Å; D226-L311 HydrophobicContact CB-CD2 4.41Å
227L96.7Very high93.4Very high0 Ų047.8 Ų47.80%023%0.231CC..EExtended strand (participates in β ladder)trans-131.3130.7-172.1176.779.3000110.3A179 V192 V194 L218 L219 W220 I229 F248 I249A179-L227 HydrophobicContact CB-CD1 4.43Å; A179-L227 HydrophobicContact CB-CD2 3.53Å; V192-L227 HydrophobicContact CG1-CD2 4.03Å; V194-L227 HydrophobicContact CG2-CD2 4.18Å; L218-L227 HydrophobicContact CB-CD1 4.01Å; L218-L227 HydrophobicContact CD2-CD2 4.3Å; L219-L227 WeakPolarHBondContact O-CA 3.36Å; L219-L227 WeakPolarHBondContact O-CD1 3.48Å; W220-L227 HydrophobicContact CD2-CB 4.17Å; W220-L227 HydrophobicContact CD2-CD1 3.66Å; W220-L227 HydrophobicContact CD2-CG 4.49Å; W220-L227 HydrophobicContact CE3-CB 3.86Å; W220-L227 HydrophobicContact CE3-CD1 4.24Å; W220-L227 HydrophobicContact CG-CD1 3.82Å; W220-L227 HydrophobicContact CH2-CB 4.21Å; W220-L227 HydrophobicContact CZ2-CD1 4.28Å; W220-L227 HydrophobicContact CZ2-CD2 4.44Å; W220-L227 HydrophobicContact CZ3-CB 3.88Å; L227-I229 HydrophobicContact CD2-CD1 4.39Å; L227-I229 HydrophobicContact CD2-CG1 3.95Å; L227-I229 HydrophobicContact CG-CG1 4.22Å; L227-F248 WeakPolarHBondContact O-CA 3.36Å; L227-I249 HydrophobicContact CB-CG2 3.69Å; L227-I249 HydrophobicContact CD2-CG2 3.68Å; L227-I249 HydrophobicContact CG-CG2 4.08Å; L227-I249 PolarHBondContact N-O 3.47Å; L227-I249 PolarHBondContact O-N 2.94Å
228L97.8Very high92.8Very high0 Ų045.4 Ų45.40%023%0.227CC..EExtended strand (participates in β ladder)trans-95.8137.7164.7-69.9169.1000110.2L219 L246 Y247 F248 V260 I271 F273 F295L219-L228 HydrophobicContact CB-CB 4.17Å; L219-L228 PolarHBondContact N-O 2.77Å; L219-L228 PolarHBondContact O-N 2.87Å; L228-L246 HydrophobicContact CB-CD1 4.15Å; L228-L246 HydrophobicContact CD2-CD1 4.15Å; L228-L246 HydrophobicContact CD2-CG 4.39Å; L228-Y247 CarbonylContact C-O 3.52Å; L228-Y247 WeakPolarHBondContact CA-O 3.34Å; L228-F248 HydrophobicContact CD2-CB 4.13Å; L228-F248 HydrophobicContact CD2-CD2 3.95Å; L228-V260 HydrophobicContact CD2-CG2 4.02Å; L228-I271 HydrophobicContact CD1-CG2 3.5Å; L228-I271 VanDerWaalsContact CD1-CG2 3.5Å; L228-F273 HydrophobicContact CB-CE2 4.16Å; L228-F273 HydrophobicContact CB-CZ 4.43Å; L228-F273 HydrophobicContact CD1-CD2 4.27Å; L228-F273 HydrophobicContact CD1-CE1 4.29Å; L228-F273 HydrophobicContact CD1-CE2 3.52Å; L228-F273 HydrophobicContact CD1-CZ 3.56Å; L228-F273 HydrophobicContact CG-CE2 3.75Å; L228-F273 HydrophobicContact CG-CZ 3.61Å; L228-F295 HydrophobicContact CD1-CB 3.97Å; L228-F295 HydrophobicContact CD1-CD1 4.17Å; L228-F295 HydrophobicContact CD1-CD2 3.6Å; L228-F295 HydrophobicContact CD1-CE2 4.06Å; L228-F295 HydrophobicContact CD1-CG 3.66Å; L228-F295 HydrophobicContact CD2-CD2 4.47Å; L228-F295 HydrophobicContact CD2-CE1 4.32Å; L228-F295 HydrophobicContact CD2-CE2 4.1Å; L228-F295 HydrophobicContact CD2-CZ 4.01Å
229I97.7Very high92.2Very high0 Ų045.5 Ų45.50%023%0.229CC..EExtended strand (participates in β ladder)trans-119.5109.4179.9-55.3161.2000106.9V192 K208 F210 V216 R217 L218 L227 T231 Y247 I249V192-I229 HydrophobicContact CB-CD1 3.65Å; V192-I229 HydrophobicContact CB-CG1 4.4Å; V192-I229 HydrophobicContact CG1-CD1 3.78Å; V192-I229 HydrophobicContact CG1-CG1 4.27Å; V192-I229 HydrophobicContact CG2-CD1 3.95Å; V192-I229 HydrophobicContact CG2-CG1 4.28Å; V192-I229 HydrophobicContact CG2-CG2 3.96Å; K208-I229 HydrophobicContact CB-CD1 4.22Å; F210-I229 HydrophobicContact CE1-CG2 3.88Å; F210-I229 HydrophobicContact CZ-CG2 4.1Å; V216-I229 HydrophobicContact CG1-CG2 3.57Å; R217-I229 WeakPolarHBondContact O-CA 3.47Å; L218-I229 HydrophobicContact CD2-CG1 4.06Å; L218-I229 HydrophobicContact CD2-CG2 4.19Å; L227-I229 HydrophobicContact CD2-CD1 4.39Å; L227-I229 HydrophobicContact CD2-CG1 3.95Å; L227-I229 HydrophobicContact CG-CG1 4.22Å; I229-T231 HydrophobicContact CG2-CG2 4.15Å; I229-Y247 PolarHBondContact N-O 2.75Å; I229-Y247 PolarHBondContact O-N 3.13Å; I229-I249 HydrophobicContact CD1-CG2 3.88Å; I229-I249 HydrophobicContact CG1-CG2 4.45Å
230L97.4Very high91.5Very high13 Ų1353.6 Ų53.67%0.06826%0.257CS..EExtended strand (participates in β ladder)trans-95.3113171176.766.6000108.5V216 R217 Q244 G245 L246 I268 I271V216-L230 CarbonylContact C-O 3.55Å; V216-L230 VanDerWaalsContact CA-O 3.28Å; V216-L230 WeakPolarHBondContact CA-O 3.38Å; R217-L230 HydrophobicContact CB-CB 4.31Å; R217-L230 PolarHBondContact N-O 3.01Å; R217-L230 PolarHBondContact O-N 3.43Å; L230-Q244 HydrophobicContact CD1-CB 4.15Å; L230-G245 WeakPolarHBondContact CA-O 3.46Å; L230-L246 HydrophobicContact CB-CD1 4.5Å; L230-I268 HydrophobicContact CD1-CB 4.18Å; L230-I268 HydrophobicContact CD1-CD1 3.78Å; L230-I268 HydrophobicContact CD1-CG2 4.34Å; L230-I271 HydrophobicContact CB-CD1 3.96Å; L230-I271 HydrophobicContact CD1-CD1 4.2Å; L230-I271 HydrophobicContact CD2-CD1 4.11Å; L230-I271 HydrophobicContact CG-CD1 4.31Å
231T96.3Very high90.9Very high3 Ų357.4 Ų57.42%0.01827%0.272CS..EExtended strand (participates in β ladder)trans-93.2148.9172.466.20000109.9F210 A213 T215 V216 I229 Q244 G245 Y247F210-T231 HydrophobicContact CD1-CG2 4.17Å; F210-T231 HydrophobicContact CD2-CG2 3.53Å; F210-T231 HydrophobicContact CE1-CG2 4.13Å; F210-T231 HydrophobicContact CE2-CG2 3.45Å; F210-T231 VanDerWaalsContact CE2-CG2 3.45Å; F210-T231 HydrophobicContact CG-CG2 3.88Å; F210-T231 HydrophobicContact CZ-CG2 3.76Å; A213-T231 HydrophobicContact CB-CG2 3.92Å; T215-T231 WeakPolarHBondContact O-CA 3.23Å; V216-T231 HydrophobicContact CG2-CG2 4.2Å; I229-T231 HydrophobicContact CG2-CG2 4.15Å; T231-Q244 VanDerWaalsContact O-CA 3.22Å; T231-Q244 WeakPolarHBondContact O-CA 3.29Å; T231-G245 PolarHBondContact N-O 3.06Å; T231-G245 PolarHBondContact O-N 2.84Å; T231-G245 VanDerWaalsContact O-N 3.15Å; T231-G245 WeakPolarHBondContact OG1-CA 3.44Å; T231-G245 PolarHBondContact OG1-N 3.42Å; T231-G245 PolarHBondContact OG1-O 2.74Å; T231-Y247 HydrophobicContact CG2-CD2 3.91Å; T231-Y247 HydrophobicContact CG2-CE2 3.55Å; T231-Y247 WeakPolarHBondContact OG1-CE2 3.42Å
232S95.1Very high90.7Very high13 Ų1357.5 Ų57.59%0.09127%0.274CS..EExtended strand (participates in β ladder)trans-145.6141171.5-48.40000111.1D214 T215 D243 Q244D214-S232 PolarHBondContact N-O 3.04Å; T215-S232 PolarHBondContact N-O 3.11Å; T215-S232 PolarHBondContact O-N 2.77Å; T215-S232 PolarHBondContact OG1-O 2.79Å; S232-D243 WeakPolarHBondContact CA-O 3.43Å; S232-Q244 WeakPolarHBondContact OG-CG 3.28Å; S232-Q244 PolarHBondContact OG-NE2 3.48Å; S232-Q244 VanDerWaalsContact OG-NE2 3.11Å
233T93.7Very high90.7Very high17 Ų1758.9 Ų58.910%0.10428%0.281CS..  trans-83.3160.2166.563.30000110.6R212 D214 L235 G242 D243R212-T233 HydrophobicContact CB-CG2 3.82Å; R212-T233 VanDerWaalsContact O-CG2 3.23Å; R212-T233 WeakPolarHBondContact O-CG2 3.22Å; D214-T233 WeakPolarHBondContact OD2-CA 3.28Å; T233-L235 PolarHBondContact OG1-O 3.03Å; T233-G242 WeakPolarHBondContact O-CA 3.43Å; T233-D243 HydrophobicContact CG2-CB 4.14Å; T233-D243 PolarHBondContact N-O 2.81Å; T233-D243 VanDerWaalsContact N-O 3.07Å; T233-D243 PolarHBondContact OG1-N 3.47Å
234K88.3Confident91Very high157 Ų15757.1 Ų57.168%0.68328%0.276SS*.SBendtrans-75.7-27.4174-74.3171.5-178.2171.50113.3D214D214-K234 HydrophobicContact CB-CD 4.27Å; D214-K234 HydrophobicContact CB-CG 3.82Å; D214-K234 PolarHBondContact OD2-N 2.99Å
235L86.5Confident91.1Very high153 Ų15357.8 Ų57.880%0.80128%0.283SS*.  trans-129136.7-173.6-64167000108.4T233T233-L235 PolarHBondContact OG1-O 3.03Å
236S86.8Confident91.3Very high29 Ų2956.2 Ų56.220%0.20327%0.274CS..  trans-151.1145.8170.5173.40000107.6E238 S239 G242 D243S236-E238 VanDerWaalsContact C-N 3.28Å; S236-E238 PolarHBondContact OG-N 2.95Å; S236-S239 PolarHBondContact OG-N 2.91Å; S236-G242 VanDerWaalsContact CB-C 3.46Å; S236-G242 VanDerWaalsContact CB-CA 3.48Å; S236-D243 VanDerWaalsContact CB-OD1 3.22Å; S236-D243 WeakPolarHBondContact CB-OD1 3.43Å; S236-D243 PolarHBondContact OG-OD1 3.39Å
237D84.1Confident91.4Very high175 Ų17557.6 Ų57.694%0.93628%0.279SS*.SBendtrans-76-21.9177.7-60.3-31.3000111.5
238E85.3Confident91.4Very high123 Ų12357.7 Ų57.758%0.57528%0.279SS*.SBendtrans-104.8-24.9-172.5-54.2-172162.500113.7S236 F301S236-E238 VanDerWaalsContact C-N 3.28Å; S236-E238 PolarHBondContact OG-N 2.95Å; E238-F301 HydrophobicContact CB-CZ 3.87Å; E238-F301 WeakPolarHBondContact O-CE1 3.36Å
239S84.5Confident91.3Very high18 Ų1857.7 Ų57.713%0.12628%0.279CS..  trans-141.6133.5-169.2173.90000112.9S236 Y241 G242S236-S239 PolarHBondContact OG-N 2.91Å; S239-Y241 PolarHBondContact O-N 3.38Å; S239-Y241 PolarHBondContact OG-N 3.13Å; S239-G242 PolarHBondContact O-N 3.32Å
240Y82.4Confident91.2Very high226 Ų22657.7 Ų57.789%0.88628%0.279SS*.THydrogen-bonded Turntrans-60.9-23.7170.1-179.7-99.4000113G242Y240-G242 PolarHBondContact O-N 2.87Å
241Y84Confident90.8Very high113 Ų11357.1 Ų57.144%0.44328%0.276SS..THydrogen-bonded Turntrans-81.41.5177.3-63.4-83.2000113.5S239 P267 Y269S239-Y241 PolarHBondContact O-N 3.38Å; S239-Y241 PolarHBondContact OG-N 3.13Å; Y241-P267 HydrophobicContact CD2-CB 3.73Å; Y241-P267 HydrophobicContact CD2-CG 4.26Å; Y241-P267 HydrophobicContact CG-CB 4.24Å; Y241-Y269 HydrophobicContact CE2-CD1 4.14Å; Y241-Y269 HydrophobicContact CE2-CE1 4.01Å
242G89.5Confident90.3Very high4 Ų460.5 Ų60.54%0.04130%0.3CS..  trans75.2-177.6-171.700000112.6T233 S236 S239 Y240 Q244T233-G242 WeakPolarHBondContact O-CA 3.43Å; S236-G242 VanDerWaalsContact CB-C 3.46Å; S236-G242 VanDerWaalsContact CB-CA 3.48Å; S239-G242 PolarHBondContact O-N 3.32Å; Y240-G242 PolarHBondContact O-N 2.87Å; G242-Q244 PolarHBondContact O-N 2.69Å
243D91.1Very high89.7Confident68 Ų6863.4 Ų63.436%0.36431%0.309SS..SBendtrans-77.1121.7169.9-70.9-8.8000107.6S232 T233 S236S232-D243 WeakPolarHBondContact CA-O 3.43Å; T233-D243 HydrophobicContact CG2-CB 4.14Å; T233-D243 PolarHBondContact N-O 2.81Å; T233-D243 VanDerWaalsContact N-O 3.07Å; T233-D243 PolarHBondContact OG1-N 3.47Å; S236-D243 VanDerWaalsContact CB-OD1 3.22Å; S236-D243 WeakPolarHBondContact CB-OD1 3.43Å; S236-D243 PolarHBondContact OG-OD1 3.39Å
244Q94.9Very high88.7Confident48 Ų4867.1 Ų67.122%0.22434%0.336CS..EExtended strand (participates in β ladder)trans-111.8142.5-175.6-59-173.4-60.600111.4L230 T231 S232 G242 I268L230-Q244 HydrophobicContact CD1-CB 4.15Å; T231-Q244 VanDerWaalsContact O-CA 3.22Å; T231-Q244 WeakPolarHBondContact O-CA 3.29Å; S232-Q244 WeakPolarHBondContact OG-CG 3.28Å; S232-Q244 PolarHBondContact OG-NE2 3.48Å; S232-Q244 VanDerWaalsContact OG-NE2 3.11Å; G242-Q244 PolarHBondContact O-N 2.69Å; Q244-I268 PolarHBondContact OE1-O 2.79Å
245G94.9Very high88Confident14 Ų1462.7 Ų62.714%0.14433%0.334CS..EExtended strand (participates in β ladder)trans-128.8136.6173.600000109.6L230 T231L230-G245 WeakPolarHBondContact CA-O 3.46Å; T231-G245 PolarHBondContact N-O 3.06Å; T231-G245 PolarHBondContact O-N 2.84Å; T231-G245 VanDerWaalsContact O-N 3.15Å; T231-G245 WeakPolarHBondContact OG1-CA 3.44Å; T231-G245 PolarHBondContact OG1-N 3.42Å; T231-G245 PolarHBondContact OG1-O 2.74Å
246L97Very high87.9Confident3 Ų357.7 Ų57.72%0.01631%0.309CS..EExtended strand (participates in β ladder)trans-111.5122.2174.9-175.257.5000109.6L228 L230 V260 M262 I268 I271 V297L228-L246 HydrophobicContact CB-CD1 4.15Å; L228-L246 HydrophobicContact CD2-CD1 4.15Å; L228-L246 HydrophobicContact CD2-CG 4.39Å; L230-L246 HydrophobicContact CB-CD1 4.5Å; L246-V260 HydrophobicContact CB-CB 4.11Å; L246-V260 HydrophobicContact CB-CG2 4.43Å; L246-V260 HydrophobicContact CD2-CB 3.85Å; L246-V260 HydrophobicContact CD2-CG1 3.99Å; L246-V260 HydrophobicContact CD2-CG2 4.01Å; L246-V260 HydrophobicContact CG-CB 3.81Å; L246-V260 HydrophobicContact CG-CG1 4.5Å; L246-V260 HydrophobicContact CG-CG2 3.72Å; L246-V260 PolarHBondContact O-N 2.92Å; L246-M262 HydrophobicContact CD2-CE 4.18Å; L246-I268 HydrophobicContact CB-CD1 3.76Å; L246-I268 HydrophobicContact CD2-CD1 4.48Å; L246-I271 HydrophobicContact CD1-CD1 3.52Å; L246-I271 HydrophobicContact CD1-CG1 4.47Å; L246-I271 HydrophobicContact CD2-CD1 4.14Å; L246-I271 HydrophobicContact CD2-CG1 4.29Å; L246-I271 HydrophobicContact CG-CD1 4.43Å; L246-V297 HydrophobicContact CD2-CG1 4.19Å; L246-V297 HydrophobicContact CD2-CG2 3.77Å
247Y96.6Very high88.1Confident33 Ų3358.3 Ų58.313%0.12931%0.313CS..EExtended strand (participates in β ladder)trans-121.9151.4179.5-49.1-95.2000109.9K208 F210 L228 I229 T231 A258 I259K208-Y247 HydrophobicContact CG-CD1 4.36Å; K208-Y247 HydrophobicContact CG-CG 4.46Å; F210-Y247 HydrophobicContact CB-CE1 3.97Å; F210-Y247 HydrophobicContact CB-CE2 3.93Å; F210-Y247 WeakPolarHBondContact CB-OH 3.36Å; F210-Y247 HydrophobicContact CD1-CD2 4.23Å; F210-Y247 HydrophobicContact CD1-CE2 4.25Å; F210-Y247 HydrophobicContact CG-CE2 4.12Å; L228-Y247 CarbonylContact C-O 3.52Å; L228-Y247 WeakPolarHBondContact CA-O 3.34Å; I229-Y247 PolarHBondContact N-O 2.75Å; I229-Y247 PolarHBondContact O-N 3.13Å; T231-Y247 HydrophobicContact CG2-CD2 3.91Å; T231-Y247 HydrophobicContact CG2-CE2 3.55Å; T231-Y247 WeakPolarHBondContact OG1-CE2 3.42Å; Y247-A258 WeakPolarHBondContact CA-O 3.39Å; Y247-I259 HydrophobicContact CD1-CG1 3.67Å; Y247-I259 HydrophobicContact CE1-CD1 4.36Å; Y247-I259 HydrophobicContact CE1-CG1 3.72Å
248F96.4Very high88.6Confident1 Ų151.2 Ų51.20%0.00428%0.279CS..EExtended strand (participates in β ladder)trans-117.1142.9175.6176.3-92000109.5D226 L227 L228 S257 A258 V260 L311 C313D226-F248 HydrophobicContact CB-CE2 3.71Å; D226-F248 HydrophobicContact CB-CZ 3.78Å; D226-F248 VanDerWaalsContact OD1-CZ 3.32Å; D226-F248 WeakPolarHBondContact OD1-CZ 3.41Å; L227-F248 WeakPolarHBondContact O-CA 3.36Å; L228-F248 HydrophobicContact CD2-CB 4.13Å; L228-F248 HydrophobicContact CD2-CD2 3.95Å; F248-S257 CarbonylContact O-C 3.02Å; F248-S257 WeakPolarHBondContact O-CA 3.49Å; F248-S257 WeakPolarHBondContact O-CB 3.31Å; F248-A258 HydrophobicContact CB-CB 4.45Å; F248-A258 PolarHBondContact N-O 2.83Å; F248-A258 PolarHBondContact O-N 2.88Å; F248-V260 HydrophobicContact CB-CG2 4.23Å; F248-L311 WeakPolarHBondContact CE1-O 3.37Å; F248-L311 HydrophobicContact CE2-CD2 4.04Å; F248-L311 HydrophobicContact CZ-CB 4.25Å; F248-L311 HydrophobicContact CZ-CD2 4.39Å; F248-L311 WeakPolarHBondContact CZ-O 3.37Å; F248-C313 WeakPolarHBondContact CB-SG 3.25Å
249I95.7Very high89Confident1 Ų150.8 Ų50.81%0.00528%0.279CS..EExtended strand (participates in β ladder)trans-144.5132.5172.1-170.9168.4000109.8V194 A206 K208 L227 I229 D256V194-I249 HydrophobicContact CG2-CD1 3.91Å; V194-I249 HydrophobicContact CG2-CG1 4.33Å; V194-I249 HydrophobicContact CG2-CG2 3.99Å; A206-I249 HydrophobicContact CB-CD1 3.58Å; A206-I249 HydrophobicContact CB-CG1 3.7Å; K208-I249 HydrophobicContact CB-CD1 4.11Å; L227-I249 HydrophobicContact CB-CG2 3.69Å; L227-I249 HydrophobicContact CD2-CG2 3.68Å; L227-I249 HydrophobicContact CG-CG2 4.08Å; L227-I249 PolarHBondContact N-O 3.47Å; L227-I249 PolarHBondContact O-N 2.94Å; I229-I249 HydrophobicContact CD1-CG2 3.88Å; I229-I249 HydrophobicContact CG1-CG2 4.45Å; I249-D256 WeakPolarHBondContact CA-O 3.4Å
250S93.8Very high89.6Confident0 Ų050.1 Ų50.10%027%0.274CS..EExtended strand (participates in β ladder)trans-93.3132173.9-161.50000110.6T225 D226 S252 R253 D256T225-S250 PolarHBondContact O-OG 3Å; D226-S250 VanDerWaalsContact OD1-CB 3.25Å; D226-S250 WeakPolarHBondContact OD1-CB 3.34Å; D226-S250 PolarHBondContact OD1-OG 3.1Å; S250-S252 PolarHBondContact OG-OG 2.96Å; S250-R253 PolarHBondContact OG-N 3.08Å; S250-D256 PolarHBondContact N-O 2.79Å
251A90.7Very high90.1Very high1 Ų142.5 Ų42.51%0.00825%0.253CS..SBendtrans-80.3-24.2170.700000112.2N177 V194 T205 W220 T225N177-A251 HydrophobicContact CB-CB 4.15Å; N177-A251 WeakPolarHBondContact ND2-CB 3.21Å; V194-A251 HydrophobicContact CG1-CB 3.65Å; T205-A251 VanDerWaalsContact CG2-O 3.25Å; T205-A251 WeakPolarHBondContact CG2-O 3.27Å; W220-A251 HydrophobicContact CH2-CB 4.05Å; W220-A251 HydrophobicContact CZ3-CB 3.93Å; T225-A251 WeakPolarHBondContact O-CA 3.48Å; T225-A251 WeakPolarHBondContact O-CB 3.49Å; T225-A251 PolarHBondContact O-N 2.98Å
252S84.8Confident90.6Very high74 Ų7439.6 Ų39.652%0.51724%0.244SC..SBendtrans-90.3-34.6-177.365.90000113.2T225 S250T225-S252 PolarHBondContact O-N 3.05Å; S250-S252 PolarHBondContact OG-OG 2.96Å
253R81.9Confident90.6Very high73 Ų7343.8 Ų43.828%0.27527%0.27SS..SBendtrans-102.397.2178.9-61.9178.5-74164.4-4109D226 S250 G255 D256 L311D226-R253 IonicContact OD1-NH2 2.85Å; S250-R253 PolarHBondContact OG-N 3.08Å; R253-G255 PolarHBondContact O-N 3.01Å; R253-D256 HydrophobicContact CB-CB 3.66Å; R253-D256 WeakPolarHBondContact CD-OD2 3.41Å; R253-D256 IonicContact CZ-OD2 3.45Å; R253-D256 IonicContact NE-OD2 3.78Å; R253-D256 PolarHBondContact NE-OD2 2.79Å; R253-D256 VanDerWaalsContact NE-OD2 3.17Å; R253-D256 IonicContact NH1-OD2 3.97Å; R253-D256 PolarHBondContact NH1-OD2 3.03Å; R253-D256 IonicContact NH2-OD2 2.68Å; R253-D256 VanDerWaalsContact O-CB 3.29Å; R253-D256 WeakPolarHBondContact O-CB 3.42Å; R253-D256 PolarHBondContact O-N 3.25Å; R253-D256 VanDerWaalsContact O-N 3.09Å; R253-L311 PolarHBondContact NH2-O 3.14Å
254S73.8Confident90.7Very high96 Ų9644.4 Ų44.467%0.67127%0.267SS*.THydrogen-bonded Turntrans-57.3133.7-178.9-170.70000111.2T205 D256T205-S254 PolarHBondContact O-OG 3.23Å; S254-D256 PolarHBondContact O-N 3.46Å
255G73.8Confident90.6Very high63 Ų6350 Ų5065%0.64929%0.29SS*.THydrogen-bonded Turntrans80.6-8.3-178.700000115.3R253 S257R253-G255 PolarHBondContact O-N 3.01Å; G255-S257 PolarHBondContact O-N 2.89Å; G255-S257 VanDerWaalsContact O-N 3.1Å
256D83.2Confident90.5Very high49 Ų4950.8 Ų50.826%0.26230%0.299SS..  trans-78.3101.1179.9-156.1-23.6000110.4I249 S250 R253 S254I249-D256 WeakPolarHBondContact CA-O 3.4Å; S250-D256 PolarHBondContact N-O 2.79Å; R253-D256 HydrophobicContact CB-CB 3.66Å; R253-D256 WeakPolarHBondContact CD-OD2 3.41Å; R253-D256 IonicContact CZ-OD2 3.45Å; R253-D256 IonicContact NE-OD2 3.78Å; R253-D256 PolarHBondContact NE-OD2 2.79Å; R253-D256 VanDerWaalsContact NE-OD2 3.17Å; R253-D256 IonicContact NH1-OD2 3.97Å; R253-D256 PolarHBondContact NH1-OD2 3.03Å; R253-D256 IonicContact NH2-OD2 2.68Å; R253-D256 VanDerWaalsContact O-CB 3.29Å; R253-D256 WeakPolarHBondContact O-CB 3.42Å; R253-D256 PolarHBondContact O-N 3.25Å; R253-D256 VanDerWaalsContact O-N 3.09Å; S254-D256 PolarHBondContact O-N 3.46Å
257S91.6Very high90.3Very high41 Ų4150.9 Ų50.929%0.28730%0.3SS..EExtended strand (participates in β ladder)trans-142.2141.8175.577.50000110.3K208 F248 G255K208-S257 PolarHBondContact NZ-OG 2.84Å; F248-S257 CarbonylContact O-C 3.02Å; F248-S257 WeakPolarHBondContact O-CA 3.49Å; F248-S257 WeakPolarHBondContact O-CB 3.31Å; G255-S257 PolarHBondContact O-N 2.89Å; G255-S257 VanDerWaalsContact O-N 3.1Å
258A93.7Very high90.3Very high27 Ų2749.6 Ų49.622%0.22330%0.295CS..EExtended strand (participates in β ladder)trans-138.4160.6-177.500000110.9Y247 F248 C313Y247-A258 WeakPolarHBondContact CA-O 3.39Å; F248-A258 HydrophobicContact CB-CB 4.45Å; F248-A258 PolarHBondContact N-O 2.83Å; F248-A258 PolarHBondContact O-N 2.88Å; A258-C313 HydrophobicContact CB-CB 4.31Å
259I94.9Very high90.2Very high114 Ų11451.9 Ų51.959%0.58530%0.304SS*.EExtended strand (participates in β ladder)trans-91.2132160.1-65.8161.5000105.4Y247 P261Y247-I259 HydrophobicContact CD1-CG1 3.67Å; Y247-I259 HydrophobicContact CE1-CD1 4.36Å; Y247-I259 HydrophobicContact CE1-CG1 3.72Å; I259-P261 WeakPolarHBondContact O-CD 3.29Å
260V96.1Very high90.2Very high4 Ų454.5 Ų54.52%0.02432%0.316CS..  trans-80.7114.6174-172.50000107.5L228 L246 F248 M262 F295 F309 C313L228-V260 HydrophobicContact CD2-CG2 4.02Å; L246-V260 HydrophobicContact CB-CB 4.11Å; L246-V260 HydrophobicContact CB-CG2 4.43Å; L246-V260 HydrophobicContact CD2-CB 3.85Å; L246-V260 HydrophobicContact CD2-CG1 3.99Å; L246-V260 HydrophobicContact CD2-CG2 4.01Å; L246-V260 HydrophobicContact CG-CB 3.81Å; L246-V260 HydrophobicContact CG-CG1 4.5Å; L246-V260 HydrophobicContact CG-CG2 3.72Å; L246-V260 PolarHBondContact O-N 2.92Å; F248-V260 HydrophobicContact CB-CG2 4.23Å; V260-M262 HydrophobicContact CB-CE 4.21Å; V260-M262 HydrophobicContact CG1-CE 3.55Å; V260-M262 PolarHBondContact O-N 2.9Å; V260-F295 HydrophobicContact CG1-CE2 3.98Å; V260-F295 HydrophobicContact CG1-CZ 4.1Å; V260-F295 HydrophobicContact CG2-CE2 4.33Å; V260-F295 HydrophobicContact CG2-CZ 4.06Å; V260-F309 HydrophobicContact CG1-CD1 3.95Å; V260-F309 HydrophobicContact CG1-CD2 4.49Å; V260-F309 HydrophobicContact CG1-CE1 3.89Å; V260-F309 HydrophobicContact CG1-CE2 4.44Å; V260-F309 HydrophobicContact CG1-CG 4.26Å; V260-F309 HydrophobicContact CG1-CZ 4.15Å; V260-C313 HydrophobicContact CG2-CB 4.23Å
261P93.9Very high90.4Very high66 Ų6655.3 Ų55.343%0.42932%0.32SS..  trans-69130.5-178.328.8-33000109.4I259 P263 C313I259-P261 WeakPolarHBondContact O-CD 3.29Å; P261-P263 VanDerWaalsContact O-CD 3.27Å; P261-P263 WeakPolarHBondContact O-CD 3.33Å; P261-C313 WeakPolarHBondContact CD-O 3.49Å
262M93.6Very high90.7Very high52 Ų5256.1 Ų56.126%0.25633%0.327SS..  trans-100.2105.7169.9-62.3-68.295.300108.4L246 V260 R264 I268 V297 Y299 F309L246-M262 HydrophobicContact CD2-CE 4.18Å; V260-M262 HydrophobicContact CB-CE 4.21Å; V260-M262 HydrophobicContact CG1-CE 3.55Å; V260-M262 PolarHBondContact O-N 2.9Å; M262-R264 PolarHBondContact O-N 2.86Å; M262-I268 HydrophobicContact CG-CD1 4.3Å; M262-I268 HydrophobicContact SD-CD1 4.06Å; M262-I268 HydrophobicContact SD-CG1 4.12Å; M262-V297 HydrophobicContact CE-CB 4.48Å; M262-V297 HydrophobicContact CE-CG1 4.21Å; M262-V297 HydrophobicContact CE-CG2 4.45Å; M262-V297 HydrophobicContact SD-CG1 3.88Å; M262-Y299 HydrophobicContact CB-CD2 3.98Å; M262-Y299 HydrophobicContact CB-CE2 4.19Å; M262-Y299 HydrophobicContact CG-CD2 4.37Å; M262-Y299 HydrophobicContact SD-CD1 3.74Å; M262-Y299 HydrophobicContact SD-CD2 3.82Å; M262-Y299 HydrophobicContact SD-CE1 4.27Å; M262-Y299 HydrophobicContact SD-CE2 4.33Å; M262-Y299 HydrophobicContact SD-CG 3.51Å; M262-Y299 VanDerWaalsContact SD-CG 3.51Å; M262-F309 HydrophobicContact CE-CE2 4.02Å; M262-F309 HydrophobicContact CE-CZ 3.75Å
263P89.5Confident91.2Very high91 Ų9153.9 Ų53.959%0.59131%0.308SS*.SBendtrans-54.5-23.7179.2-29.231.5000115.3P261 Y299P261-P263 VanDerWaalsContact O-CD 3.27Å; P261-P263 WeakPolarHBondContact O-CD 3.33Å; P263-Y299 VanDerWaalsContact CD-OH 3.28Å; P263-Y299 WeakPolarHBondContact CD-OH 3.18Å; P263-Y299 WeakPolarHBondContact CG-OH 3.34Å
264R93.3Very high91.8Very high82 Ų8251 Ų5131%0.30930%0.298SS..SBendtrans-123.5139.4-179.3-67178.867.5-152-5110.2M262 Y299 F301 P303 S305M262-R264 PolarHBondContact O-N 2.86Å; R264-Y299 HydrophobicContact CB-CD2 4.38Å; R264-Y299 HydrophobicContact CB-CE2 4.01Å; R264-F301 PolarHBondContact NH2-O 2.86Å; R264-P303 VanDerWaalsContact CZ-O 3.29Å; R264-P303 PolarHBondContact NH1-O 2.74Å; R264-P303 PolarHBondContact NH2-O 2.64Å; R264-S305 WeakPolarHBondContact CD-OG 3.38Å; R264-S305 PolarHBondContact NH1-OG 3.14Å
265K92.3Very high92.6Very high164 Ų16447.5 Ų47.571%0.71327%0.273SS*.  trans-69.6146.6172.3-69.4-169.2175.5-170.70111.4G300 F301K265-G300 VanDerWaalsContact O-CA 3.29Å; K265-G300 WeakPolarHBondContact O-CA 3.27Å; K265-F301 HydrophobicContact CB-CE2 4.44Å; K265-F301 VanDerWaalsContact O-CD2 3.3Å; K265-F301 WeakPolarHBondContact O-CD2 3.22Å; K265-F301 PolarHBondContact O-N 2.91Å
266G93.1Very high93.1Very high31 Ų3145.2 Ų45.232%0.3225%0.246SC..SBendtrans135-173.7175.200000112.2F301G266-F301 VanDerWaalsContact CA-CE2 3.47Å
267P94.2Very high92.6Very high5 Ų547.2 Ų47.23%0.03226%0.257CS..  trans-70.2159.6-179.430.3-36000111.9Y241 Y269 Y299 G300Y241-P267 HydrophobicContact CD2-CB 3.73Å; Y241-P267 HydrophobicContact CD2-CG 4.26Å; Y241-P267 HydrophobicContact CG-CB 4.24Å; P267-Y269 HydrophobicContact CB-CE1 4.49Å; P267-Y269 HydrophobicContact CG-CD1 4.44Å; P267-Y269 HydrophobicContact CG-CE1 3.76Å; P267-Y269 HydrophobicContact CG-CE2 4.02Å; P267-Y299 CarbonylContact O-C 3.43Å; P267-Y299 WeakPolarHBondContact O-CA 3.46Å; P267-Y299 WeakPolarHBondContact O-CB 3.23Å; P267-G300 PolarHBondContact O-N 3.29Å
268I95.9Very high91.3Very high7 Ų749.7 Ų49.74%0.03626%0.261CS..EExtended strand (participates in β ladder)trans-98.9110.9163.7-61.3171.1000107.1L230 Q244 L246 M262 I271 V297L230-I268 HydrophobicContact CD1-CB 4.18Å; L230-I268 HydrophobicContact CD1-CD1 3.78Å; L230-I268 HydrophobicContact CD1-CG2 4.34Å; Q244-I268 PolarHBondContact OE1-O 2.79Å; L246-I268 HydrophobicContact CB-CD1 3.76Å; L246-I268 HydrophobicContact CD2-CD1 4.48Å; M262-I268 HydrophobicContact CG-CD1 4.3Å; M262-I268 HydrophobicContact SD-CD1 4.06Å; M262-I268 HydrophobicContact SD-CG1 4.12Å; I268-I271 HydrophobicContact CG2-CD1 3.93Å; I268-I271 HydrophobicContact CG2-CG1 3.73Å; I268-V297 HydrophobicContact CG2-CG1 3.75Å
269Y94.8Very high89.4Confident49 Ų4948.8 Ų48.819%0.19225%0.252CS..EExtended strand (participates in β ladder)trans-77.9-47.2-178-61.5-74.4000111.9Y241 P267 C298 G300 T302 A304 N325Y241-Y269 HydrophobicContact CE2-CD1 4.14Å; Y241-Y269 HydrophobicContact CE2-CE1 4.01Å; P267-Y269 HydrophobicContact CB-CE1 4.49Å; P267-Y269 HydrophobicContact CG-CD1 4.44Å; P267-Y269 HydrophobicContact CG-CE1 3.76Å; P267-Y269 HydrophobicContact CG-CE2 4.02Å; Y269-C298 PolarHBondContact N-O 2.9Å; Y269-G300 WeakPolarHBondContact CE2-O 3.43Å; Y269-G300 PolarHBondContact OH-O 2.88Å; Y269-T302 PolarHBondContact OH-OG1 2.86Å; Y269-A304 HydrophobicContact CD2-CB 3.95Å; Y269-A304 HydrophobicContact CE2-CB 3.63Å; Y269-N325 WeakPolarHBondContact CB-O 3.36Å; Y269-N325 HydrophobicContact CD1-CB 4.03Å; Y269-N325 HydrophobicContact CG-CB 3.95Å
270Q95.9Very high87.2Confident56 Ų5649.2 Ų49.226%0.26227%0.266SS..EExtended strand (participates in β ladder)trans-152.4150.9179.3-169.7168.2-3.300111.7C298 I327Q270-C298 PolarHBondContact O-N 2.57Å; Q270-I327 HydrophobicContact CB-CD1 4.44Å; Q270-I327 HydrophobicContact CG-CB 4.49Å; Q270-I327 PolarHBondContact NE2-O 2.91Å
271I97.5Very high84.8Confident17 Ų1753.7 Ų53.79%0.08730%0.297CS..EExtended strand (participates in β ladder)trans-127.5136.8173-60.5152.7000106.9L219 L228 L230 L246 I268 V296 V297L219-I271 HydrophobicContact CD1-CB 3.84Å; L219-I271 HydrophobicContact CD1-CD1 3.99Å; L219-I271 HydrophobicContact CD1-CG2 3.9Å; L228-I271 HydrophobicContact CD1-CG2 3.5Å; L228-I271 VanDerWaalsContact CD1-CG2 3.5Å; L230-I271 HydrophobicContact CB-CD1 3.96Å; L230-I271 HydrophobicContact CD1-CD1 4.2Å; L230-I271 HydrophobicContact CD2-CD1 4.11Å; L230-I271 HydrophobicContact CG-CD1 4.31Å; L246-I271 HydrophobicContact CD1-CD1 3.52Å; L246-I271 HydrophobicContact CD1-CG1 4.47Å; L246-I271 HydrophobicContact CD2-CD1 4.14Å; L246-I271 HydrophobicContact CD2-CG1 4.29Å; L246-I271 HydrophobicContact CG-CD1 4.43Å; I268-I271 HydrophobicContact CG2-CD1 3.93Å; I268-I271 HydrophobicContact CG2-CG1 3.73Å; I271-V296 WeakPolarHBondContact CA-O 3.49Å; I271-V297 HydrophobicContact CG1-CG1 4.11Å; I271-V297 HydrophobicContact CG1-CG2 4.45Å
272A96.6Very high82.7Confident18 Ų1852.5 Ų52.515%0.14929%0.287CS..EExtended strand (participates in β ladder)trans-141129.1174.900000110.8F295 V296 I327 F329A272-F295 CarbonylContact O-C 3.32Å; A272-F295 VanDerWaalsContact O-CA 3.3Å; A272-F295 WeakPolarHBondContact O-CA 3.44Å; A272-V296 PolarHBondContact N-O 3.01Å; A272-V296 PolarHBondContact O-N 2.9Å; A272-I327 HydrophobicContact CB-CB 4.35Å; A272-I327 HydrophobicContact CB-CG2 3.97Å; A272-F329 HydrophobicContact CB-CD2 4Å; A272-F329 HydrophobicContact CB-CE2 4.06Å
273F95.6Very high80.8Confident26 Ų2651 Ų5111%0.11428%0.28CS..EExtended strand (participates in β ladder)trans-73.4144.6164.2-83.5-79.5000109.8L219 N221 L228 P275 F295 L311 F329L219-F273 HydrophobicContact CB-CE2 4.49Å; L219-F273 WeakPolarHBondContact O-CE2 3.45Å; N221-F273 HydrophobicContact CB-CD1 3.74Å; N221-F273 HydrophobicContact CB-CD2 4.32Å; N221-F273 HydrophobicContact CB-CE1 3.8Å; N221-F273 HydrophobicContact CB-CE2 4.37Å; N221-F273 HydrophobicContact CB-CG 4.01Å; N221-F273 HydrophobicContact CB-CZ 4.1Å; L228-F273 HydrophobicContact CB-CE2 4.16Å; L228-F273 HydrophobicContact CB-CZ 4.43Å; L228-F273 HydrophobicContact CD1-CD2 4.27Å; L228-F273 HydrophobicContact CD1-CE1 4.29Å; L228-F273 HydrophobicContact CD1-CE2 3.52Å; L228-F273 HydrophobicContact CD1-CZ 3.56Å; L228-F273 HydrophobicContact CG-CE2 3.75Å; L228-F273 HydrophobicContact CG-CZ 3.61Å; F273-P275 WeakPolarHBondContact O-CD 3.3Å; F273-F295 HydrophobicContact CD1-CB 3.75Å; F273-F295 HydrophobicContact CE1-CB 3.95Å; F273-F295 HydrophobicContact CE1-CD1 4.06Å; F273-F295 HydrophobicContact CE1-CG 4.35Å; F273-F295 HydrophobicContact CG-CB 4.2Å; F273-L311 HydrophobicContact CE1-CD2 4.23Å; F273-F329 WeakPolarHBondContact O-CD2 3.4Å
274Q94.3Very high79.1Confident12 Ų1252.6 Ų52.66%0.05628%0.278CS..PPolyproline II helixtrans-65.5127.3167.7-174.3-170.711.200108.9T276 Y294 F329 G333 F354Q274-T276 PolarHBondContact O-N 2.66Å; Q274-Y294 WeakPolarHBondContact CB-O 3.38Å; Q274-Y294 PolarHBondContact N-O 3.36Å; Q274-F329 HydrophobicContact CB-CE1 4.08Å; Q274-F329 HydrophobicContact CB-CE2 4.37Å; Q274-F329 HydrophobicContact CB-CZ 3.88Å; Q274-F329 HydrophobicContact CG-CD1 4.34Å; Q274-F329 HydrophobicContact CG-CE1 3.86Å; Q274-F329 HydrophobicContact CG-CZ 4.19Å; Q274-G333 PolarHBondContact NE2-O 2.87Å; Q274-F354 HydrophobicContact CB-CE1 4.33Å; Q274-F354 HydrophobicContact CB-CZ 4.5Å; Q274-F354 HydrophobicContact CG-CD1 4.26Å; Q274-F354 HydrophobicContact CG-CE1 4Å; Q274-F354 VanDerWaalsContact NE2-CD1 3.29Å
275P91.6Very high77.4Confident23 Ų2354.5 Ų54.515%0.14929%0.289CS..PPolyproline II helixtrans-60.3133.1174.7-25.735.6000111.7D222 F273 F329D222-P275 VanDerWaalsContact OD2-CA 3.31Å; D222-P275 WeakPolarHBondContact OD2-CA 3.38Å; F273-P275 WeakPolarHBondContact O-CD 3.3Å; P275-F329 VanDerWaalsContact CD-CB 3.41Å; P275-F329 VanDerWaalsContact CD-CG 3.44Å; P275-F329 HydrophobicContact CG-CB 3.67Å; P275-F329 HydrophobicContact CG-CG 4.27Å
276T84.4Confident76.1Confident15 Ų1549.1 Ų49.19%0.09227%0.268CS..  trans-121.8-16.7176.559.90000113.1D222 Q274 Y278 S279 T283 E293D222-T276 WeakPolarHBondContact CB-OG1 3.36Å; D222-T276 PolarHBondContact OD2-N 3.33Å; Q274-T276 PolarHBondContact O-N 2.66Å; T276-Y278 PolarHBondContact O-N 3.44Å; T276-Y278 VanDerWaalsContact O-N 3.16Å; T276-S279 PolarHBondContact O-N 3.17Å; T276-T283 HydrophobicContact CG2-CG2 4.23Å; T276-E293 HydrophobicContact CG2-CG 4.1Å
277N71.8Confident74.6Confident91 Ų9157.9 Ų57.949%0.48730%0.297SS..THydrogen-bonded Turntrans-57.8-32.2-175.6-74.7-30000114.3D222D222-N277 WeakPolarHBondContact CB-ND2 3.42Å; D222-N277 WeakPolarHBondContact CB-OD1 3.26Å; D222-N277 VanDerWaalsContact CG-CG 3.45Å; D222-N277 PolarHBondContact OD1-ND2 2.83Å; D222-N277 VanDerWaalsContact OD2-CG 3.3Å; D222-N277 PolarHBondContact OD2-N 2.64Å; D222-N277 VanDerWaalsContact OD2-N 3.11Å; D222-N277 PolarHBondContact OD2-ND2 3.31Å; D222-N277 VanDerWaalsContact OD2-ND2 3.16Å
278Y63.8Low73.3Confident94 Ų9464.2 Ų64.237%0.36933%0.331SS..THydrogen-bonded Turntrans-112.9-1.8-178-56.3-74.4000113.4T276 S280 L442T276-Y278 PolarHBondContact O-N 3.44Å; T276-Y278 VanDerWaalsContact O-N 3.16Å; Y278-S280 PolarHBondContact O-N 3.28Å; Y278-L442 HydrophobicContact CD1-CB 4.2Å; Y278-L442 HydrophobicContact CD1-CD1 3.74Å; Y278-L442 HydrophobicContact CD1-CG 3.57Å; Y278-L442 HydrophobicContact CD2-CD1 3.66Å; Y278-L442 HydrophobicContact CD2-CG 4.36Å; Y278-L442 HydrophobicContact CE1-CD1 4.28Å; Y278-L442 HydrophobicContact CE1-CG 3.93Å; Y278-L442 HydrophobicContact CE2-CD1 4.22Å; Y278-L442 HydrophobicContact CG-CB 4.49Å; Y278-L442 HydrophobicContact CG-CD1 3.38Å; Y278-L442 HydrophobicContact CG-CG 3.8Å
279S55.3Low71.8Confident7 Ų769.4 Ų69.45%0.04936%0.358CS..  trans-95.268.7-171.3-156.70000110.3T276 S281 I282 T283 H332T276-S279 PolarHBondContact O-N 3.17Å; S279-S281 VanDerWaalsContact C-N 3.26Å; S279-S281 PolarHBondContact O-N 3.49Å; S279-I282 WeakPolarHBondContact OG-CB 3.37Å; S279-T283 PolarHBondContact O-OG1 2.75Å; S279-T283 VanDerWaalsContact O-OG1 3.05Å; S279-H332 WeakPolarHBondContact CB-O 3.23Å; S279-H332 PolarHBondContact OG-O 2.74Å
280S47.4Very low70.4Confident124 Ų12473.7 Ų73.787%0.86738%0.378SS*.THydrogen-bonded Turntrans-72.9-18.617657.90000113Y278Y278-S280 PolarHBondContact O-N 3.28Å
281S45Very low69.2Low97 Ų9773.4 Ų73.468%0.67838%0.378SS*.THydrogen-bonded Turntrans-111.5-22.8-175.778.40000116.2S279S279-S281 VanDerWaalsContact C-N 3.26Å; S279-S281 PolarHBondContact O-N 3.49Å
282I50.5Low68.3Low41 Ų4175.6 Ų75.621%0.2139%0.388CS..THydrogen-bonded Turntrans-99.1-13.5-170.5-65.8135.3000113.4S279 K284 H332 N334 A445S279-I282 WeakPolarHBondContact OG-CB 3.37Å; I282-K284 PolarHBondContact O-N 3.19Å; I282-H332 HydrophobicContact CD1-CB 4.44Å; I282-N334 HydrophobicContact CD1-CB 3.7Å; I282-N334 HydrophobicContact CG1-CB 4.28Å; I282-N334 HydrophobicContact CG2-CB 4.16Å; I282-A445 HydrophobicContact CD1-CB 3.37Å
283T53Low68Low20 Ų2075.5 Ų75.512%0.12338%0.384CS..  trans-69.299.817923.20000110.3T276 S279 K285 I291T276-T283 HydrophobicContact CG2-CG2 4.23Å; S279-T283 PolarHBondContact O-OG1 2.75Å; S279-T283 VanDerWaalsContact O-OG1 3.05Å; T283-K285 PolarHBondContact O-N 3.4Å; T283-I291 VanDerWaalsContact CB-CG2 3.43Å; T283-I291 HydrophobicContact CG2-CG2 3.28Å
284K55.2Low67.9Low126 Ų12676.2 Ų76.255%0.54839%0.386SS..  trans-49.3117.2170.3-80.8178.8-177.9165.40107.1I282 E292 S355I282-K284 PolarHBondContact O-N 3.19Å; K284-E292 PolarHBondContact O-N 3.21Å; K284-E292 VanDerWaalsContact O-N 3.12Å; K284-S355 PolarHBondContact NZ-O 3.04Å
285K57.6Low68Low122 Ų12275.7 Ų75.753%0.5338%0.384SS..BIsolated β-bridgetrans-81.5127.1169.1-65.9-170.7-175.8177.90106.8T283 N289 K290 I291T283-K285 PolarHBondContact O-N 3.4Å; K285-N289 WeakPolarHBondContact CD-OD1 3.3Å; K285-K290 WeakPolarHBondContact CA-O 3.18Å; K285-I291 HydrophobicContact CG-CG1 4.29Å
286N64.2Low68.3Low51 Ų5174.6 Ų74.627%0.27338%0.377SS..  trans-65.6178.4174.571.37000110.8N288 N289 K290 E292N286-N288 PolarHBondContact O-N 2.82Å; N286-N288 WeakPolarHBondContact OD1-CA 3.22Å; N286-N288 WeakPolarHBondContact OD1-CB 3.29Å; N286-N288 PolarHBondContact OD1-N 3.2Å; N286-N289 PolarHBondContact O-N 2.83Å; N286-N289 PolarHBondContact OD1-N 2.81Å; N286-K290 PolarHBondContact N-O 3.06Å; N286-K290 WeakPolarHBondContact OD1-CB 3.17Å; N286-K290 PolarHBondContact OD1-N 2.9Å; N286-K290 PolarHBondContact OD1-O 2.91Å; N286-E292 HydrophobicContact CB-CG 3.91Å; N286-E292 VanDerWaalsContact CB-OE1 3.23Å; N286-E292 WeakPolarHBondContact CB-OE1 3.07Å
287K62.9Low68.9Low215 Ų21573.9 Ų73.994%0.93537%0.372SS*.THydrogen-bonded Turntrans-51.8-21.5176.8-67.5-174.8-179.8178.20114
288N66.8Low70.1Confident138 Ų13869.5 Ų69.574%0.73835%0.349SS*.THydrogen-bonded Turntrans-100.117.7180-60.5-7.8000112.9N286 K290N286-N288 PolarHBondContact O-N 2.82Å; N286-N288 WeakPolarHBondContact OD1-CA 3.22Å; N286-N288 WeakPolarHBondContact OD1-CB 3.29Å; N286-N288 PolarHBondContact OD1-N 3.2Å; N288-K290 PolarHBondContact O-N 2.82Å; N288-K290 VanDerWaalsContact O-N 3.09Å
289N64.4Low71.6Confident116 Ų11665.1 Ų65.162%0.6233%0.332SS*.SBendtrans61.315.6-179.2-136.513.8000114K285 N286K285-N289 WeakPolarHBondContact CD-OD1 3.3Å; N286-N289 PolarHBondContact O-N 2.83Å; N286-N289 PolarHBondContact OD1-N 2.81Å
290K64.9Low73.5Confident138 Ų13864.8 Ų64.860%0.633%0.33SS*.PPolyproline II helixtrans-91.1131.6179.8-160.3177.7-177.2-176.70108.9K285 N286 N288 E292K285-K290 WeakPolarHBondContact CA-O 3.18Å; N286-K290 PolarHBondContact N-O 3.06Å; N286-K290 WeakPolarHBondContact OD1-CB 3.17Å; N286-K290 PolarHBondContact OD1-N 2.9Å; N286-K290 PolarHBondContact OD1-O 2.91Å; N288-K290 PolarHBondContact O-N 2.82Å; N288-K290 VanDerWaalsContact O-N 3.09Å; K290-E292 PolarHBondContact O-N 3.24Å
291I70Confident75.7Confident50 Ų5062.9 Ų62.926%0.25631%0.306SS..BIsolated β-bridgetrans-63.3120.2175.9-72.4165.5000108.7R223 T283 K285 E293R223-I291 VanDerWaalsContact NH2-CB 3.28Å; T283-I291 VanDerWaalsContact CB-CG2 3.43Å; T283-I291 HydrophobicContact CG2-CG2 3.28Å; K285-I291 HydrophobicContact CG-CG1 4.29Å; I291-E293 HydrophobicContact CG2-CG 4.36Å
292E79.6Confident77.8Confident64 Ų6462 Ų6230%0.29930%0.296SS..PPolyproline II helixtrans-76.4134.7172.3-65.4-179.3160.600109.8K284 N286 K290 Y294K284-E292 PolarHBondContact O-N 3.21Å; K284-E292 VanDerWaalsContact O-N 3.12Å; N286-E292 HydrophobicContact CB-CG 3.91Å; N286-E292 VanDerWaalsContact CB-OE1 3.23Å; N286-E292 WeakPolarHBondContact CB-OE1 3.07Å; K290-E292 PolarHBondContact O-N 3.24Å; E292-Y294 HydrophobicContact CB-CE2 3.71Å; E292-Y294 PolarHBondContact OE2-OH 2.86Å
293E89.3Confident79.8Confident15 Ų1563 Ų637%0.0731%0.305CS..  trans-120.4142.7176.9-62.9178.973.100108.7N221 R223 T276 I291 L311N221-E293 PolarHBondContact ND2-OE1 2.87Å; R223-E293 WeakPolarHBondContact CD-OE2 3.15Å; R223-E293 IonicContact CZ-OE2 3.72Å; R223-E293 IonicContact NE-OE2 2.68Å; R223-E293 IonicContact NH1-OE2 3.99Å; R223-E293 PolarHBondContact NH1-OE2 3.46Å; T276-E293 HydrophobicContact CG2-CG 4.1Å; I291-E293 HydrophobicContact CG2-CG 4.36Å; E293-L311 HydrophobicContact CB-CD1 3.93Å; E293-L311 HydrophobicContact CB-CD2 4.15Å; E293-L311 HydrophobicContact CB-CG 4.01Å
294Y94.4Very high81.8Confident42 Ų4262 Ų6217%0.16530%0.299CS..EExtended strand (participates in β ladder)trans-130155-174.3-62.2-79.6000110.5Q274 E292 I308 F309 N310 V316 F354Q274-Y294 WeakPolarHBondContact CB-O 3.38Å; Q274-Y294 PolarHBondContact N-O 3.36Å; E292-Y294 HydrophobicContact CB-CE2 3.71Å; E292-Y294 PolarHBondContact OE2-OH 2.86Å; Y294-I308 HydrophobicContact CD1-CG2 3.78Å; Y294-I308 HydrophobicContact CG-CG2 4.09Å; Y294-F309 WeakPolarHBondContact CA-O 3.31Å; Y294-N310 HydrophobicContact CD1-CB 4.32Å; Y294-N310 HydrophobicContact CE1-CB 4.22Å; Y294-V316 HydrophobicContact CD1-CG2 4.16Å; Y294-V316 HydrophobicContact CE1-CB 4.49Å; Y294-V316 HydrophobicContact CE1-CG1 4.18Å; Y294-V316 HydrophobicContact CE1-CG2 3.87Å; Y294-F354 HydrophobicContact CD2-CE1 4.11Å; Y294-F354 HydrophobicContact CG-CE1 4.27Å; Y294-F354 HydrophobicContact CG-CZ 4.43Å
295F96.2Very high83.7Confident0 Ų056.2 Ų56.20%028%0.275CS..EExtended strand (participates in β ladder)trans-132.8152.7166.162.1-90.2000110.1L228 V260 A272 F273 V297 F309 N310L228-F295 HydrophobicContact CD1-CB 3.97Å; L228-F295 HydrophobicContact CD1-CD1 4.17Å; L228-F295 HydrophobicContact CD1-CD2 3.6Å; L228-F295 HydrophobicContact CD1-CE2 4.06Å; L228-F295 HydrophobicContact CD1-CG 3.66Å; L228-F295 HydrophobicContact CD2-CD2 4.47Å; L228-F295 HydrophobicContact CD2-CE1 4.32Å; L228-F295 HydrophobicContact CD2-CE2 4.1Å; L228-F295 HydrophobicContact CD2-CZ 4.01Å; V260-F295 HydrophobicContact CG1-CE2 3.98Å; V260-F295 HydrophobicContact CG1-CZ 4.1Å; V260-F295 HydrophobicContact CG2-CE2 4.33Å; V260-F295 HydrophobicContact CG2-CZ 4.06Å; A272-F295 CarbonylContact O-C 3.32Å; A272-F295 VanDerWaalsContact O-CA 3.3Å; A272-F295 WeakPolarHBondContact O-CA 3.44Å; F273-F295 HydrophobicContact CD1-CB 3.75Å; F273-F295 HydrophobicContact CE1-CB 3.95Å; F273-F295 HydrophobicContact CE1-CD1 4.06Å; F273-F295 HydrophobicContact CE1-CG 4.35Å; F273-F295 HydrophobicContact CG-CB 4.2Å; F295-V297 HydrophobicContact CD2-CG2 3.78Å; F295-V297 HydrophobicContact CE2-CG2 3.87Å; F295-F309 HydrophobicContact CD1-CB 4.23Å; F295-F309 HydrophobicContact CD2-CB 3.93Å; F295-F309 HydrophobicContact CD2-CD2 4.33Å; F295-F309 HydrophobicContact CD2-CG 4.47Å; F295-F309 HydrophobicContact CE1-CB 3.76Å; F295-F309 HydrophobicContact CE2-CB 3.42Å; F295-F309 VanDerWaalsContact CE2-CB 3.42Å; F295-F309 AromaticContact CE2-CD2 3.89Å; F295-F309 HydrophobicContact CE2-CD2 3.89Å; F295-F309 AromaticContact CE2-CG 3.78Å; F295-F309 HydrophobicContact CE2-CG 3.78Å; F295-F309 HydrophobicContact CG-CB 4.32Å; F295-F309 HydrophobicContact CZ-CB 3.32Å; F295-F309 AromaticContact CZ-CG 3.99Å; F295-F309 HydrophobicContact CZ-CG 3.99Å; F295-F309 PolarHBondContact N-O 3.22Å; F295-F309 PolarHBondContact O-N 3.06Å; F295-N310 WeakPolarHBondContact CE1-O 3.48Å
296V97.5Very high85.6Confident0 Ų050.4 Ų50.40%025%0.25CC..EExtended strand (participates in β ladder)trans-117.4137-176.9-170.50000108.5I271 A272 V306 T307 I308 I327 F329 L336 F354I271-V296 WeakPolarHBondContact CA-O 3.49Å; A272-V296 PolarHBondContact N-O 3.01Å; A272-V296 PolarHBondContact O-N 2.9Å; V296-V306 HydrophobicContact CG1-CG1 3.38Å; V296-T307 WeakPolarHBondContact CA-O 3.38Å; V296-I308 HydrophobicContact CG2-CG1 4.19Å; V296-I327 HydrophobicContact CB-CD1 4.16Å; V296-I327 HydrophobicContact CB-CG2 4.35Å; V296-I327 HydrophobicContact CG1-CD1 3.79Å; V296-I327 HydrophobicContact CG1-CG2 4.35Å; V296-F329 HydrophobicContact CB-CE2 4.43Å; V296-F329 HydrophobicContact CG2-CE2 3.74Å; V296-F329 HydrophobicContact CG2-CZ 3.5Å; V296-F329 VanDerWaalsContact CG2-CZ 3.5Å; V296-L336 HydrophobicContact CG1-CD2 4.32Å; V296-L336 HydrophobicContact CG2-CD2 4.31Å; V296-F354 HydrophobicContact CG2-CE2 3.73Å; V296-F354 HydrophobicContact CG2-CZ 4.2Å
297V97.9Very high87.2Confident0 Ų048.1 Ų48.10%024%0.238CC..EExtended strand (participates in β ladder)trans-124.3129.4178.6-168.10000109.1L246 M262 I268 I271 F295 Y299 V306 T307 F309L246-V297 HydrophobicContact CD2-CG1 4.19Å; L246-V297 HydrophobicContact CD2-CG2 3.77Å; M262-V297 HydrophobicContact CE-CB 4.48Å; M262-V297 HydrophobicContact CE-CG1 4.21Å; M262-V297 HydrophobicContact CE-CG2 4.45Å; M262-V297 HydrophobicContact SD-CG1 3.88Å; I268-V297 HydrophobicContact CG2-CG1 3.75Å; I271-V297 HydrophobicContact CG1-CG1 4.11Å; I271-V297 HydrophobicContact CG1-CG2 4.45Å; F295-V297 HydrophobicContact CD2-CG2 3.78Å; F295-V297 HydrophobicContact CE2-CG2 3.87Å; V297-Y299 HydrophobicContact CB-CD1 4.02Å; V297-Y299 HydrophobicContact CG1-CD1 3.81Å; V297-Y299 HydrophobicContact CG1-CG 4.41Å; V297-Y299 WeakPolarHBondContact O-CD1 3.34Å; V297-V306 WeakPolarHBondContact O-CA 3.15Å; V297-T307 PolarHBondContact N-O 2.81Å; V297-T307 PolarHBondContact O-N 2.78Å; V297-F309 HydrophobicContact CB-CD2 4.44Å; V297-F309 HydrophobicContact CB-CE2 4.09Å; V297-F309 HydrophobicContact CG2-CD2 3.86Å; V297-F309 HydrophobicContact CG2-CE2 3.89Å
298C96.8Very high88.8Confident0 Ų038 Ų380%019%0.193CC..EExtended strand (participates in β ladder)trans-103.3116.1170.51800000108.5Y269 Q270 S305 V306 W324 I327Y269-C298 PolarHBondContact N-O 2.9Å; Q270-C298 PolarHBondContact O-N 2.57Å; C298-S305 WeakPolarHBondContact CA-O 3.44Å; C298-V306 HydrophobicContact CB-CG2 4.04Å; C298-W324 PolarHBondContact SG-O 2.95Å; C298-W324 VanDerWaalsContact SG-O 3.36Å; C298-I327 HydrophobicContact CB-CD1 3.61Å; C298-I327 HydrophobicContact CB-CG1 3.95Å
299Y95.9Very high90.2Very high2 Ų231.4 Ų31.41%0.00816%0.158CC..EExtended strand (participates in β ladder)trans-152.1169.7-169.565.6-82.3000113.8M262 P263 R264 P267 V297 A304 S305 T307M262-Y299 HydrophobicContact CB-CD2 3.98Å; M262-Y299 HydrophobicContact CB-CE2 4.19Å; M262-Y299 HydrophobicContact CG-CD2 4.37Å; M262-Y299 HydrophobicContact SD-CD1 3.74Å; M262-Y299 HydrophobicContact SD-CD2 3.82Å; M262-Y299 HydrophobicContact SD-CE1 4.27Å; M262-Y299 HydrophobicContact SD-CE2 4.33Å; M262-Y299 HydrophobicContact SD-CG 3.51Å; M262-Y299 VanDerWaalsContact SD-CG 3.51Å; P263-Y299 VanDerWaalsContact CD-OH 3.28Å; P263-Y299 WeakPolarHBondContact CD-OH 3.18Å; P263-Y299 WeakPolarHBondContact CG-OH 3.34Å; R264-Y299 HydrophobicContact CB-CD2 4.38Å; R264-Y299 HydrophobicContact CB-CE2 4.01Å; P267-Y299 CarbonylContact O-C 3.43Å; P267-Y299 WeakPolarHBondContact O-CA 3.46Å; P267-Y299 WeakPolarHBondContact O-CB 3.23Å; V297-Y299 HydrophobicContact CB-CD1 4.02Å; V297-Y299 HydrophobicContact CG1-CD1 3.81Å; V297-Y299 HydrophobicContact CG1-CG 4.41Å; V297-Y299 WeakPolarHBondContact O-CD1 3.34Å; Y299-A304 CarbonylContact O-C 3.55Å; Y299-A304 WeakPolarHBondContact O-CA 3.15Å; Y299-S305 PolarHBondContact N-O 2.9Å; Y299-S305 PolarHBondContact O-N 2.86Å; Y299-T307 VanDerWaalsContact CE1-OG1 3.28Å; Y299-T307 WeakPolarHBondContact CE1-OG1 3.27Å; Y299-T307 PolarHBondContact OH-OG1 3.33Å
300G95.1Very high91.6Very high0 Ų027.3 Ų27.30%014%0.136CC..SBendtrans89157.2176.400000113K265 P267 Y269 T302K265-G300 VanDerWaalsContact O-CA 3.29Å; K265-G300 WeakPolarHBondContact O-CA 3.27Å; P267-G300 PolarHBondContact O-N 3.29Å; Y269-G300 WeakPolarHBondContact CE2-O 3.43Å; Y269-G300 PolarHBondContact OH-O 2.88Å; G300-T302 PolarHBondContact O-N 3.36Å
301F92.9Very high92.9Very high83 Ų8322.1 Ų22.136%0.36412%0.115SC..SBendtrans-60.2138.8178.1-65.9-69.4000111.6E238 R264 K265 G266 P303E238-F301 HydrophobicContact CB-CZ 3.87Å; E238-F301 WeakPolarHBondContact O-CE1 3.36Å; R264-F301 PolarHBondContact NH2-O 2.86Å; K265-F301 HydrophobicContact CB-CE2 4.44Å; K265-F301 VanDerWaalsContact O-CD2 3.3Å; K265-F301 WeakPolarHBondContact O-CD2 3.22Å; K265-F301 PolarHBondContact O-N 2.91Å; G266-F301 VanDerWaalsContact CA-CE2 3.47Å; F301-P303 CarbonylContact O-C 3.55Å; F301-P303 VanDerWaalsContact O-C 3.26Å
302T89.3Confident93.9Very high78 Ų7824.2 Ų24.248%0.47913%0.127SC..SBendtrans-51.5128.8-179.7-49.70000111Y269 G300Y269-T302 PolarHBondContact OH-OG1 2.86Å; G300-T302 PolarHBondContact O-N 3.36Å
303P93.1Very high94.6Very high62 Ų6221.5 Ų21.540%0.40312%0.115SC..SBendcis-71.4126.72.930.8-35.2000112.4R264 F301 G322R264-P303 VanDerWaalsContact CZ-O 3.29Å; R264-P303 PolarHBondContact NH1-O 2.74Å; R264-P303 PolarHBondContact NH2-O 2.64Å; F301-P303 CarbonylContact O-C 3.55Å; F301-P303 VanDerWaalsContact O-C 3.26Å; P303-G322 CarbonylContact C-O 3.59Å; P303-G322 VanDerWaalsContact CA-O 3.3Å; P303-G322 WeakPolarHBondContact CA-O 3.46Å
304A94.1Very high94.9Very high0 Ų025.8 Ų25.80%014%0.135CC..EExtended strand (participates in β ladder)trans-72.2146.9-177.500000111.1Y269 Y299 T321 G322 W324Y269-A304 HydrophobicContact CD2-CB 3.95Å; Y269-A304 HydrophobicContact CE2-CB 3.63Å; Y299-A304 CarbonylContact O-C 3.55Å; Y299-A304 WeakPolarHBondContact O-CA 3.15Å; A304-T321 CarbonylContact O-C 3.5Å; A304-T321 VanDerWaalsContact O-CA 3.23Å; A304-T321 WeakPolarHBondContact O-CA 3.05Å; A304-G322 PolarHBondContact N-O 2.94Å; A304-G322 PolarHBondContact O-N 2.83Å; A304-W324 VanDerWaalsContact CB-O 3.26Å; A304-W324 WeakPolarHBondContact CB-O 3.4Å
305S95.9Very high94.9Very high5 Ų527.5 Ų27.54%0.03515%0.151CC..EExtended strand (participates in β ladder)trans-89.8149.3168.8-79.30000110.5R264 C298 Y299R264-S305 WeakPolarHBondContact CD-OG 3.38Å; R264-S305 PolarHBondContact NH1-OG 3.14Å; C298-S305 WeakPolarHBondContact CA-O 3.44Å; Y299-S305 PolarHBondContact N-O 2.9Å; Y299-S305 PolarHBondContact O-N 2.86Å
306V97.1Very high94.8Very high0 Ų030.6 Ų30.60%017%0.17CC..EExtended strand (participates in β ladder)trans-125.9119172-173.40000108.9V296 V297 C298 F319 G320 W324 I327 L338V296-V306 HydrophobicContact CG1-CG1 3.38Å; V297-V306 WeakPolarHBondContact O-CA 3.15Å; C298-V306 HydrophobicContact CB-CG2 4.04Å; V306-F319 HydrophobicContact CB-CB 4.32Å; V306-F319 HydrophobicContact CB-CD2 4.25Å; V306-F319 HydrophobicContact CG1-CD2 3.91Å; V306-F319 PolarHBondContact O-N 3.03Å; V306-G320 PolarHBondContact N-O 2.8Å; V306-W324 HydrophobicContact CG2-CB 4.04Å; V306-W324 HydrophobicContact CG2-CG 4.17Å; V306-I327 HydrophobicContact CG1-CD1 4.33Å; V306-L338 HydrophobicContact CB-CD1 4.19Å; V306-L338 HydrophobicContact CG1-CD1 4.28Å; V306-L338 HydrophobicContact CG1-CD2 3.84Å; V306-L338 HydrophobicContact CG2-CD1 4.12Å; V306-L338 HydrophobicContact CG2-CD2 4.35Å
307T97.2Very high94.7Very high3 Ų333.2 Ų33.22%0.01818%0.182CC..EExtended strand (participates in β ladder)trans-127.5137.4-173.7-44.50000110.4V296 V297 Y299 F309 P315 H317 D318V296-T307 WeakPolarHBondContact CA-O 3.38Å; V297-T307 PolarHBondContact N-O 2.81Å; V297-T307 PolarHBondContact O-N 2.78Å; Y299-T307 VanDerWaalsContact CE1-OG1 3.28Å; Y299-T307 WeakPolarHBondContact CE1-OG1 3.27Å; Y299-T307 PolarHBondContact OH-OG1 3.33Å; T307-F309 HydrophobicContact CG2-CD2 4.39Å; T307-F309 HydrophobicContact CG2-CE2 3.87Å; T307-F309 HydrophobicContact CG2-CZ 4Å; T307-P315 HydrophobicContact CG2-CB 3.82Å; T307-H317 CarbonylContact C-O 3.53Å; T307-H317 WeakPolarHBondContact CA-O 3.41Å; T307-H317 VanDerWaalsContact CG2-O 3.29Å; T307-H317 WeakPolarHBondContact CG2-O 3.37Å; T307-D318 PolarHBondContact OG1-OD2 2.93Å
308I96.6Very high94.5Very high1 Ų136.4 Ų36.41%0.00520%0.199CC..EExtended strand (participates in β ladder)trans-85.4133.5170.2-56.6170000108.4Y294 V296 V316 H317 F319 F354Y294-I308 HydrophobicContact CD1-CG2 3.78Å; Y294-I308 HydrophobicContact CG-CG2 4.09Å; V296-I308 HydrophobicContact CG2-CG1 4.19Å; I308-V316 HydrophobicContact CB-CB 4.38Å; I308-V316 HydrophobicContact CG2-CB 4.22Å; I308-V316 PolarHBondContact O-N 3.09Å; I308-H317 HydrophobicContact CB-CB 4.43Å; I308-H317 HydrophobicContact CD1-CB 3.98Å; I308-H317 HydrophobicContact CG1-CB 4.46Å; I308-H317 PolarHBondContact N-O 3.08Å; I308-F319 HydrophobicContact CD1-CE1 4.49Å; I308-F319 HydrophobicContact CD1-CE2 3.54Å; I308-F319 HydrophobicContact CD1-CZ 3.46Å; I308-F319 VanDerWaalsContact CD1-CZ 3.46Å; I308-F319 HydrophobicContact CG1-CD2 4.39Å; I308-F319 HydrophobicContact CG1-CE2 3.48Å; I308-F319 VanDerWaalsContact CG1-CE2 3.48Å; I308-F319 HydrophobicContact CG1-CZ 3.97Å; I308-F354 HydrophobicContact CD1-CD2 4.2Å; I308-F354 HydrophobicContact CD1-CE2 3.59Å; I308-F354 HydrophobicContact CD1-CZ 3.96Å; I308-F354 HydrophobicContact CG1-CE2 3.86Å; I308-F354 HydrophobicContact CG1-CZ 4.19Å; I308-F354 HydrophobicContact CG2-CE2 4.45Å; I308-F354 HydrophobicContact CG2-CZ 3.92Å
309F96.2Very high94.4Very high0 Ų037.2 Ų37.20%020%0.202CC..EExtended strand (participates in β ladder)trans-121.4146.9173.6-66.4-95.2000110.5V260 M262 Y294 F295 V297 T307 E314 P315V260-F309 HydrophobicContact CG1-CD1 3.95Å; V260-F309 HydrophobicContact CG1-CD2 4.49Å; V260-F309 HydrophobicContact CG1-CE1 3.89Å; V260-F309 HydrophobicContact CG1-CE2 4.44Å; V260-F309 HydrophobicContact CG1-CG 4.26Å; V260-F309 HydrophobicContact CG1-CZ 4.15Å; M262-F309 HydrophobicContact CE-CE2 4.02Å; M262-F309 HydrophobicContact CE-CZ 3.75Å; Y294-F309 WeakPolarHBondContact CA-O 3.31Å; F295-F309 HydrophobicContact CD1-CB 4.23Å; F295-F309 HydrophobicContact CD2-CB 3.93Å; F295-F309 HydrophobicContact CD2-CD2 4.33Å; F295-F309 HydrophobicContact CD2-CG 4.47Å; F295-F309 HydrophobicContact CE1-CB 3.76Å; F295-F309 HydrophobicContact CE2-CB 3.42Å; F295-F309 VanDerWaalsContact CE2-CB 3.42Å; F295-F309 AromaticContact CE2-CD2 3.89Å; F295-F309 HydrophobicContact CE2-CD2 3.89Å; F295-F309 AromaticContact CE2-CG 3.78Å; F295-F309 HydrophobicContact CE2-CG 3.78Å; F295-F309 HydrophobicContact CG-CB 4.32Å; F295-F309 HydrophobicContact CZ-CB 3.32Å; F295-F309 AromaticContact CZ-CG 3.99Å; F295-F309 HydrophobicContact CZ-CG 3.99Å; F295-F309 PolarHBondContact N-O 3.22Å; F295-F309 PolarHBondContact O-N 3.06Å; V297-F309 HydrophobicContact CB-CD2 4.44Å; V297-F309 HydrophobicContact CB-CE2 4.09Å; V297-F309 HydrophobicContact CG2-CD2 3.86Å; V297-F309 HydrophobicContact CG2-CE2 3.89Å; T307-F309 HydrophobicContact CG2-CD2 4.39Å; T307-F309 HydrophobicContact CG2-CE2 3.87Å; T307-F309 HydrophobicContact CG2-CZ 4Å; F309-E314 VanDerWaalsContact CA-O 3.31Å; F309-E314 WeakPolarHBondContact CA-O 3.31Å; F309-P315 HydrophobicContact CD1-CB 4.31Å; F309-P315 HydrophobicContact CE1-CB 4.01Å
310N93.6Very high94.2Very high30 Ų3038.4 Ų38.416%0.1622%0.215CC..EExtended strand (participates in β ladder)trans-84.8175168.569.115.5000111.2Y294 F295 N312 C313 E314 V316Y294-N310 HydrophobicContact CD1-CB 4.32Å; Y294-N310 HydrophobicContact CE1-CB 4.22Å; F295-N310 WeakPolarHBondContact CE1-O 3.48Å; N310-N312 PolarHBondContact O-N 2.79Å; N310-N312 VanDerWaalsContact O-N 3.11Å; N310-N312 WeakPolarHBondContact OD1-CA 3.31Å; N310-N312 WeakPolarHBondContact OD1-CB 3.24Å; N310-N312 PolarHBondContact OD1-N 2.8Å; N310-C313 PolarHBondContact O-N 2.86Å; N310-C313 PolarHBondContact OD1-N 2.83Å; N310-E314 PolarHBondContact N-O 2.99Å; N310-E314 VanDerWaalsContact N-O 3.13Å; N310-E314 PolarHBondContact ND2-OE2 3.43Å; N310-E314 PolarHBondContact OD1-N 2.82Å; N310-V316 HydrophobicContact CB-CG2 3.87Å
311L92Very high94.1Very high30 Ų3042.4 Ų42.416%0.15724%0.24CC..THydrogen-bonded Turntrans-68.5-2.9176.6-61.7-173.8000115.2D226 F248 R253 F273 E293 C313D226-L311 HydrophobicContact CB-CD2 4.41Å; F248-L311 WeakPolarHBondContact CE1-O 3.37Å; F248-L311 HydrophobicContact CE2-CD2 4.04Å; F248-L311 HydrophobicContact CZ-CB 4.25Å; F248-L311 HydrophobicContact CZ-CD2 4.39Å; F248-L311 WeakPolarHBondContact CZ-O 3.37Å; R253-L311 PolarHBondContact NH2-O 3.14Å; F273-L311 HydrophobicContact CE1-CD2 4.23Å; E293-L311 HydrophobicContact CB-CD1 3.93Å; E293-L311 HydrophobicContact CB-CD2 4.15Å; E293-L311 HydrophobicContact CB-CG 4.01Å; L311-C313 VanDerWaalsContact C-N 3.33Å
312N91.7Very high94.1Very high94 Ų9439.1 Ų39.150%0.50323%0.229SC..THydrogen-bonded Turntrans-94.95.4169.3-59.8-27.7000111.6N310 E314N310-N312 PolarHBondContact O-N 2.79Å; N310-N312 VanDerWaalsContact O-N 3.11Å; N310-N312 WeakPolarHBondContact OD1-CA 3.31Å; N310-N312 WeakPolarHBondContact OD1-CB 3.24Å; N310-N312 PolarHBondContact OD1-N 2.8Å; N312-E314 HydrophobicContact CB-CG 4.18Å; N312-E314 PolarHBondContact O-N 2.91Å
313C94.6Very high94.2Very high6 Ų637.7 Ų37.74%0.04122%0.223CC..  trans63.725.1-176.8-51.80000113.9F248 A258 V260 P261 N310 L311F248-C313 WeakPolarHBondContact CB-SG 3.25Å; A258-C313 HydrophobicContact CB-CB 4.31Å; V260-C313 HydrophobicContact CG2-CB 4.23Å; P261-C313 WeakPolarHBondContact CD-O 3.49Å; N310-C313 PolarHBondContact O-N 2.86Å; N310-C313 PolarHBondContact OD1-N 2.83Å; L311-C313 VanDerWaalsContact C-N 3.33Å
314E94.5Very high94.2Very high105 Ų10536.5 Ų36.549%0.49121%0.21SC..  trans-91135.5174.6-58.7167.1145.400109.5F309 N310 N312 V316F309-E314 VanDerWaalsContact CA-O 3.31Å; F309-E314 WeakPolarHBondContact CA-O 3.31Å; N310-E314 PolarHBondContact N-O 2.99Å; N310-E314 VanDerWaalsContact N-O 3.13Å; N310-E314 PolarHBondContact ND2-OE2 3.43Å; N310-E314 PolarHBondContact OD1-N 2.82Å; N312-E314 HydrophobicContact CB-CG 4.18Å; N312-E314 PolarHBondContact O-N 2.91Å; E314-V316 PolarHBondContact O-N 2.67Å
315P95.1Very high94.2Very high78 Ų7837.6 Ų37.651%0.50622%0.216SC..EExtended strand (participates in β ladder)trans-68.2127.7174.728.9-33.4000109.8T307 F309T307-P315 HydrophobicContact CG2-CB 3.82Å; F309-P315 HydrophobicContact CD1-CB 4.31Å; F309-P315 HydrophobicContact CE1-CB 4.01Å
316V94Very high94.2Very high65 Ų6538.2 Ų38.239%0.39422%0.218SC..EExtended strand (participates in β ladder)trans-100.4-44.2-177.3178.40000110.6Y294 I308 N310 E314Y294-V316 HydrophobicContact CD1-CG2 4.16Å; Y294-V316 HydrophobicContact CE1-CB 4.49Å; Y294-V316 HydrophobicContact CE1-CG1 4.18Å; Y294-V316 HydrophobicContact CE1-CG2 3.87Å; I308-V316 HydrophobicContact CB-CB 4.38Å; I308-V316 HydrophobicContact CG2-CB 4.22Å; I308-V316 PolarHBondContact O-N 3.09Å; N310-V316 HydrophobicContact CB-CG2 3.87Å; E314-V316 PolarHBondContact O-N 2.67Å
317H95Very high94.1Very high56 Ų5638.3 Ų38.326%0.25922%0.219SC..EExtended strand (participates in β ladder)trans-154.3145.5-179-176.970.6000110.8T307 I308 F319 H357T307-H317 CarbonylContact C-O 3.53Å; T307-H317 WeakPolarHBondContact CA-O 3.41Å; T307-H317 VanDerWaalsContact CG2-O 3.29Å; T307-H317 WeakPolarHBondContact CG2-O 3.37Å; I308-H317 HydrophobicContact CB-CB 4.43Å; I308-H317 HydrophobicContact CD1-CB 3.98Å; I308-H317 HydrophobicContact CG1-CB 4.46Å; I308-H317 PolarHBondContact N-O 3.08Å; H317-F319 AromaticContact CD2-CD1 3.89Å; H317-F319 AromaticContact CD2-CE1 3.9Å; H317-F319 AromaticContact NE2-CD1 3.89Å; H317-H357 AromaticContact CD2-CG 3.67Å; H317-H357 AromaticContact CD2-ND1 3.75Å; H317-H357 AromaticContact CG-CE1 3.8Å; H317-H357 AromaticContact CG-CG 3.73Å; H317-H357 AromaticContact CG-ND1 3.3Å; H317-H357 VanDerWaalsContact CG-ND1 3.3Å; H317-H357 AromaticContact ND1-ND1 3.5Å; H317-H357 AromaticContact NE2-CG 3.99Å
318D94.3Very high94.1Very high67 Ų6739.9 Ų39.936%0.35823%0.226SC..EExtended strand (participates in β ladder)trans-117.4124175.2-169.6-86000109.2T307 G320T307-D318 PolarHBondContact OG1-OD2 2.93Å; D318-G320 PolarHBondContact O-N 3.21Å; D318-G320 WeakPolarHBondContact OD1-CA 3.32Å; D318-G320 PolarHBondContact OD1-N 3.45Å
319F93.8Very high94Very high16 Ų1641 Ų417%0.0723%0.23CC..EExtended strand (participates in β ladder)trans-78.87.2179.5-67.4-75.1000113V306 I308 H317 L336 L338 W352 H357V306-F319 HydrophobicContact CB-CB 4.32Å; V306-F319 HydrophobicContact CB-CD2 4.25Å; V306-F319 HydrophobicContact CG1-CD2 3.91Å; V306-F319 PolarHBondContact O-N 3.03Å; I308-F319 HydrophobicContact CD1-CE1 4.49Å; I308-F319 HydrophobicContact CD1-CE2 3.54Å; I308-F319 HydrophobicContact CD1-CZ 3.46Å; I308-F319 VanDerWaalsContact CD1-CZ 3.46Å; I308-F319 HydrophobicContact CG1-CD2 4.39Å; I308-F319 HydrophobicContact CG1-CE2 3.48Å; I308-F319 VanDerWaalsContact CG1-CE2 3.48Å; I308-F319 HydrophobicContact CG1-CZ 3.97Å; H317-F319 AromaticContact CD2-CD1 3.89Å; H317-F319 AromaticContact CD2-CE1 3.9Å; H317-F319 AromaticContact NE2-CD1 3.89Å; F319-L336 HydrophobicContact CD2-CD2 4.33Å; F319-L336 HydrophobicContact CE2-CD2 3.47Å; F319-L336 VanDerWaalsContact CE2-CD2 3.47Å; F319-L336 HydrophobicContact CZ-CD2 3.6Å; F319-L338 HydrophobicContact CB-CD1 4.1Å; F319-L338 HydrophobicContact CG-CD1 4.31Å; F319-W352 HydrophobicContact CB-CZ2 4.43Å; F319-W352 AromaticContact CD1-CD2 3.5Å; F319-W352 HydrophobicContact CD1-CD2 3.5Å; F319-W352 AromaticContact CD1-CE2 3.8Å; F319-W352 AromaticContact CD1-CE3 3.56Å; F319-W352 HydrophobicContact CD1-CE3 3.56Å; F319-W352 AromaticContact CD1-CG 3.97Å; F319-W352 HydrophobicContact CD1-CG 3.97Å; F319-W352 HydrophobicContact CD1-CH2 4.2Å; F319-W352 HydrophobicContact CD1-CZ2 4.16Å; F319-W352 AromaticContact CD1-CZ3 3.91Å; F319-W352 HydrophobicContact CD1-CZ3 3.91Å; F319-W352 HydrophobicContact CE1-CB 3.98Å; F319-W352 AromaticContact CE1-CD2 3.73Å; F319-W352 HydrophobicContact CE1-CD2 3.73Å; F319-W352 AromaticContact CE1-CE3 3.73Å; F319-W352 HydrophobicContact CE1-CE3 3.73Å; F319-W352 AromaticContact CE1-CG 3.84Å; F319-W352 HydrophobicContact CE1-CG 3.84Å; F319-W352 HydrophobicContact CE1-CZ3 4.44Å; F319-H357 HydrophobicContact CE1-CB 4.49Å
320G91.6Very high94Very high27 Ų2741 Ų4128%0.27823%0.23SC..EExtended strand (participates in β ladder)trans82-165.2-174.100000112.8V306 D318V306-G320 PolarHBondContact N-O 2.8Å; D318-G320 PolarHBondContact O-N 3.21Å; D318-G320 WeakPolarHBondContact OD1-CA 3.32Å; D318-G320 PolarHBondContact OD1-N 3.45Å
321T93.3Very high93.9Very high85 Ų8540.1 Ų40.152%0.52123%0.227SC..EExtended strand (participates in β ladder)trans-107.1141.6-177.963.90000111.7A304A304-T321 CarbonylContact O-C 3.5Å; A304-T321 VanDerWaalsContact O-CA 3.23Å; A304-T321 WeakPolarHBondContact O-CA 3.05Å
322G92.4Very high93.9Very high13 Ų1338.8 Ų38.813%0.13422%0.22CC..EExtended strand (participates in β ladder)trans-161-178.3170.900000112P303 A304 W324P303-G322 CarbonylContact C-O 3.59Å; P303-G322 VanDerWaalsContact CA-O 3.3Å; P303-G322 WeakPolarHBondContact CA-O 3.46Å; A304-G322 PolarHBondContact N-O 2.94Å; A304-G322 PolarHBondContact O-N 2.83Å; G322-W324 PolarHBondContact O-N 3.36Å
323S92Very high93.9Very high49 Ų4934.3 Ų34.334%0.34320%0.196SC..SBendtrans-76.137.8176.6-60.20000112.2A340S323-A340 WeakPolarHBondContact O-CA 3.35Å; S323-A340 WeakPolarHBondContact O-CB 3.41Å
324W93.9Very high93.8Very high37 Ų3734.2 Ų34.214%0.1420%0.195CC..  trans-81.2144.7-174.4-46.4126.6000111.4C298 A304 V306 G322 L338 A340 D348 C350C298-W324 PolarHBondContact SG-O 2.95Å; C298-W324 VanDerWaalsContact SG-O 3.36Å; A304-W324 VanDerWaalsContact CB-O 3.26Å; A304-W324 WeakPolarHBondContact CB-O 3.4Å; V306-W324 HydrophobicContact CG2-CB 4.04Å; V306-W324 HydrophobicContact CG2-CG 4.17Å; G322-W324 PolarHBondContact O-N 3.36Å; W324-L338 HydrophobicContact CD2-CB 4.08Å; W324-L338 HydrophobicContact CE3-CB 4.14Å; W324-L338 HydrophobicContact CG-CB 4.44Å; W324-A340 HydrophobicContact CE3-CB 3.99Å; W324-A340 HydrophobicContact CZ3-CB 4.12Å; W324-D348 HydrophobicContact CZ3-CB 4.31Å; W324-D348 WeakPolarHBondContact CZ3-O 3.32Å; W324-C350 HydrophobicContact CH2-CB 3.86Å; W324-C350 HydrophobicContact CZ2-CB 4.26Å
325N93.7Very high93.7Very high22 Ų2229.3 Ų29.312%0.11817%0.172CC..  trans-146.9-9.1168.967-26.8000112.7Y269 L339 G341 L345Y269-N325 WeakPolarHBondContact CB-O 3.36Å; Y269-N325 HydrophobicContact CD1-CB 4.03Å; Y269-N325 HydrophobicContact CG-CB 3.95Å; N325-L339 PolarHBondContact N-O 3.48Å; N325-L339 VanDerWaalsContact N-O 3.16Å; N325-L339 PolarHBondContact OD1-O 3.01Å; N325-L339 VanDerWaalsContact OD1-O 3.13Å; N325-G341 PolarHBondContact ND2-O 2.78Å; N325-G341 PolarHBondContact OD1-N 2.86Å; N325-G341 PolarHBondContact OD1-O 3.36Å; N325-L345 HydrophobicContact CB-CD1 4.02Å; N325-L345 WeakPolarHBondContact ND2-CD1 2.83Å; N325-L345 WeakPolarHBondContact OD1-CD1 3.01Å
326E95Very high93.7Very high18 Ų1825.6 Ų25.68%0.08415%0.148CC..EExtended strand (participates in β ladder)trans-122.2140.3179-76-177.9-117.400113.2H328 L339 G341 L342E326-H328 IonicContact OE2-CD2 2.61Å; E326-H328 IonicContact OE2-CE1 3.57Å; E326-H328 IonicContact OE2-NE2 3.17Å; E326-H328 PolarHBondContact OE2-NE2 2.9Å; E326-L339 HydrophobicContact CB-CB 3.93Å; E326-L339 HydrophobicContact CB-CD2 4.22Å; E326-L339 HydrophobicContact CB-CG 4.08Å; E326-L339 PolarHBondContact N-O 2.68Å; E326-L339 PolarHBondContact O-N 2.9Å; E326-G341 VanDerWaalsContact OE1-C 3.32Å; E326-G341 WeakPolarHBondContact OE1-CA 3.29Å; E326-L342 HydrophobicContact CG-CD1 4.2Å; E326-L342 WeakPolarHBondContact OE1-CD1 3.27Å; E326-L342 WeakPolarHBondContact OE1-CG 3.38Å
327I96.4Very high93.7Very high2 Ų222.5 Ų22.51%0.0113%0.129CC..EExtended strand (participates in β ladder)trans-127.1124.9178.3-56.7167000108.8Q270 A272 V296 C298 V306 L336 L338Q270-I327 HydrophobicContact CB-CD1 4.44Å; Q270-I327 HydrophobicContact CG-CB 4.49Å; Q270-I327 PolarHBondContact NE2-O 2.91Å; A272-I327 HydrophobicContact CB-CB 4.35Å; A272-I327 HydrophobicContact CB-CG2 3.97Å; V296-I327 HydrophobicContact CB-CD1 4.16Å; V296-I327 HydrophobicContact CB-CG2 4.35Å; V296-I327 HydrophobicContact CG1-CD1 3.79Å; V296-I327 HydrophobicContact CG1-CG2 4.35Å; C298-I327 HydrophobicContact CB-CD1 3.61Å; C298-I327 HydrophobicContact CB-CG1 3.95Å; V306-I327 HydrophobicContact CG1-CD1 4.33Å; I327-L336 HydrophobicContact CG2-CD1 3.37Å; I327-L336 HydrophobicContact CG2-CG 4.37Å; I327-L338 HydrophobicContact CG1-CD2 4.2Å; I327-L338 HydrophobicContact CG2-CD2 4.46Å
328H96Very high93.5Very high37 Ų3719.8 Ų19.817%0.17112%0.117CC..EExtended strand (participates in β ladder)trans-133.2110.2179-63.9-83.2000111.3E326 L337 W373E326-H328 IonicContact OE2-CD2 2.61Å; E326-H328 IonicContact OE2-CE1 3.57Å; E326-H328 IonicContact OE2-NE2 3.17Å; E326-H328 PolarHBondContact OE2-NE2 2.9Å; H328-L337 HydrophobicContact CB-CB 4.21Å; H328-L337 HydrophobicContact CB-CD2 4.41Å; H328-L337 PolarHBondContact N-O 3.13Å; H328-L337 PolarHBondContact O-N 3.25Å; H328-W373 PolarHBondContact O-NE1 3.45Å; H328-W373 VanDerWaalsContact O-NE1 3.14Å
329F95.9Very high93.2Very high23 Ų2316.7 Ų16.710%0.10110%0.1CC..EExtended strand (participates in β ladder)trans-77.2143.8168.4-80.6-79.9000111.3A272 F273 Q274 P275 V296 L335 L336 F354 W373A272-F329 HydrophobicContact CB-CD2 4Å; A272-F329 HydrophobicContact CB-CE2 4.06Å; F273-F329 WeakPolarHBondContact O-CD2 3.4Å; Q274-F329 HydrophobicContact CB-CE1 4.08Å; Q274-F329 HydrophobicContact CB-CE2 4.37Å; Q274-F329 HydrophobicContact CB-CZ 3.88Å; Q274-F329 HydrophobicContact CG-CD1 4.34Å; Q274-F329 HydrophobicContact CG-CE1 3.86Å; Q274-F329 HydrophobicContact CG-CZ 4.19Å; P275-F329 VanDerWaalsContact CD-CB 3.41Å; P275-F329 VanDerWaalsContact CD-CG 3.44Å; P275-F329 HydrophobicContact CG-CB 3.67Å; P275-F329 HydrophobicContact CG-CG 4.27Å; V296-F329 HydrophobicContact CB-CE2 4.43Å; V296-F329 HydrophobicContact CG2-CE2 3.74Å; V296-F329 HydrophobicContact CG2-CZ 3.5Å; V296-F329 VanDerWaalsContact CG2-CZ 3.5Å; F329-L335 WeakPolarHBondContact CA-O 3.39Å; F329-L336 HydrophobicContact CD1-CD1 3.84Å; F329-L336 HydrophobicContact CD2-CD1 3.87Å; F329-L336 HydrophobicContact CE1-CB 4.37Å; F329-L336 HydrophobicContact CE1-CD1 3.73Å; F329-L336 HydrophobicContact CE2-CD1 3.75Å; F329-L336 HydrophobicContact CG-CD1 3.92Å; F329-L336 HydrophobicContact CZ-CD1 3.69Å; F329-F354 HydrophobicContact CE1-CD1 4.29Å; F329-F354 AromaticContact CE1-CD2 3.5Å; F329-F354 HydrophobicContact CE1-CD2 3.5Å; F329-F354 VanDerWaalsContact CE1-CD2 3.5Å; F329-F354 HydrophobicContact CE1-CE1 4.37Å; F329-F354 AromaticContact CE1-CE2 3.58Å; F329-F354 HydrophobicContact CE1-CE2 3.58Å; F329-F354 AromaticContact CE1-CG 3.86Å; F329-F354 HydrophobicContact CE1-CG 3.86Å; F329-F354 HydrophobicContact CE1-CZ 4.03Å; F329-F354 AromaticContact CZ-CD2 3.9Å; F329-F354 HydrophobicContact CZ-CD2 3.9Å; F329-F354 AromaticContact CZ-CE2 3.47Å; F329-F354 HydrophobicContact CZ-CE2 3.47Å; F329-F354 VanDerWaalsContact CZ-CE2 3.47Å; F329-F354 AromaticContact CZ-CZ 3.83Å; F329-F354 HydrophobicContact CZ-CZ 3.83Å; F329-W373 VanDerWaalsContact C-CD1 3.5Å; F329-W373 PolarHBondContact O-NE1 3.18Å
330N94.9Very high92.9Very high0 Ų015.9 Ų15.90%010%0.096CC..  trans-70163.5163.682.8-24.8000110.7H332 G333 N334 L335 W373 G377N330-H332 PolarHBondContact O-N 2.92Å; N330-H332 VanDerWaalsContact O-N 3.08Å; N330-G333 PolarHBondContact O-N 3.17Å; N330-G333 PolarHBondContact OD1-N 2.86Å; N330-N334 PolarHBondContact ND2-OD1 3.09Å; N330-N334 PolarHBondContact OD1-N 3.16Å; N330-N334 VanDerWaalsContact OD1-N 3.1Å; N330-N334 PolarHBondContact OD1-OD1 3.18Å; N330-N334 VanDerWaalsContact OD1-OD1 3.13Å; N330-L335 HydrophobicContact CB-CB 4.08Å; N330-L335 PolarHBondContact N-O 2.87Å; N330-L335 PolarHBondContact OD1-N 3.38Å; N330-L335 PolarHBondContact OD1-O 3.05Å; N330-W373 HydrophobicContact CB-CD2 3.57Å; N330-W373 HydrophobicContact CB-CE3 3.69Å; N330-W373 HydrophobicContact CB-CG 3.99Å; N330-W373 HydrophobicContact CB-CH2 4.27Å; N330-W373 HydrophobicContact CB-CZ2 4.17Å; N330-W373 HydrophobicContact CB-CZ3 4.04Å; N330-G377 PolarHBondContact ND2-O 2.75Å
331P92.7Very high92Very high13 Ų1314.8 Ų14.88%0.0849%0.085CC..THydrogen-bonded Turntrans-61.2-24.5-172.5-25.436.7000114.5W373 L374 F438 L442P331-W373 HydrophobicContact CG-CB 4.29Å; P331-L374 WeakPolarHBondContact CG-O 3.48Å; P331-F438 HydrophobicContact CB-CE1 4.05Å; P331-F438 HydrophobicContact CG-CE1 3.59Å; P331-F438 HydrophobicContact CG-CZ 4.13Å; P331-L442 HydrophobicContact CB-CD1 3.47Å; P331-L442 VanDerWaalsContact CB-CD1 3.47Å
332H91.4Very high90.7Very high2 Ų213.4 Ų13.41%0.0097%0.074CC..THydrogen-bonded Turntrans-89.2-11.5178.9-50.3-79.1000113.6S279 I282 N330 N334 E443 A445S279-H332 WeakPolarHBondContact CB-O 3.23Å; S279-H332 PolarHBondContact OG-O 2.74Å; I282-H332 HydrophobicContact CD1-CB 4.44Å; N330-H332 PolarHBondContact O-N 2.92Å; N330-H332 VanDerWaalsContact O-N 3.08Å; H332-N334 VanDerWaalsContact C-N 3.28Å; H332-N334 WeakPolarHBondContact CB-OD1 3.26Å; H332-N334 PolarHBondContact O-N 3.46Å; H332-E443 PolarHBondContact CE1-O 3.49Å; H332-E443 VanDerWaalsContact CE1-O 3.25Å; H332-A445 HydrophobicContact CB-CB 3.68Å
333G92.1Very high89.7Confident0 Ų015.9 Ų15.90%010%0.1CC..SBendtrans71.613.3-179.600000115.3Q274 N330Q274-G333 PolarHBondContact NE2-O 2.87Å; N330-G333 PolarHBondContact O-N 3.17Å; N330-G333 PolarHBondContact OD1-N 2.86Å
334N91.2Very high88.9Confident4 Ų421.1 Ų21.12%0.02112%0.124CC..SBendtrans-92-22174.862.9-38.6000113.6I282 N330 H332 F354 P446I282-N334 HydrophobicContact CD1-CB 3.7Å; I282-N334 HydrophobicContact CG1-CB 4.28Å; I282-N334 HydrophobicContact CG2-CB 4.16Å; N330-N334 PolarHBondContact ND2-OD1 3.09Å; N330-N334 PolarHBondContact OD1-N 3.16Å; N330-N334 VanDerWaalsContact OD1-N 3.1Å; N330-N334 PolarHBondContact OD1-OD1 3.18Å; N330-N334 VanDerWaalsContact OD1-OD1 3.13Å; H332-N334 VanDerWaalsContact C-N 3.28Å; H332-N334 WeakPolarHBondContact CB-OD1 3.26Å; H332-N334 PolarHBondContact O-N 3.46Å; N334-F354 WeakPolarHBondContact O-CB 3.48Å; N334-F354 PolarHBondContact O-N 3.05Å; N334-P446 PolarHBondContact ND2-O 2.69Å
335L93.9Very high88.4Confident1 Ų121.9 Ų21.91%0.00513%0.13CC..EExtended strand (participates in β ladder)trans-113.3137176.3-56.8-175.2000110.8F329 N330 V351 W352 L360 W373 G377 Y400 P448F329-L335 WeakPolarHBondContact CA-O 3.39Å; N330-L335 HydrophobicContact CB-CB 4.08Å; N330-L335 PolarHBondContact N-O 2.87Å; N330-L335 PolarHBondContact OD1-N 3.38Å; N330-L335 PolarHBondContact OD1-O 3.05Å; L335-V351 HydrophobicContact CB-CG1 4.29Å; L335-W352 WeakPolarHBondContact CA-O 3.5Å; L335-L360 HydrophobicContact CD2-CD1 3.46Å; L335-L360 VanDerWaalsContact CD2-CD1 3.46Å; L335-W373 HydrophobicContact CB-CH2 4.06Å; L335-W373 HydrophobicContact CB-CZ2 4.35Å; L335-W373 HydrophobicContact CD1-CH2 4.04Å; L335-W373 HydrophobicContact CD1-CZ3 4.23Å; L335-G377 WeakPolarHBondContact CD1-O 3.21Å; L335-Y400 HydrophobicContact CD1-CD1 4.16Å; L335-Y400 HydrophobicContact CD1-CD2 4.39Å; L335-Y400 HydrophobicContact CD1-CE1 4.31Å; L335-Y400 HydrophobicContact CD1-CG 4.19Å; L335-P448 HydrophobicContact CD2-CB 4.04Å; L335-P448 HydrophobicContact CD2-CG 4.08Å
336L94.6Very high88Confident0 Ų023 Ų230%014%0.14CC..EExtended strand (participates in β ladder)trans-120.7116.1176.7-175.867.7000109.8V296 F319 I327 F329 L338 V351 W352 F354V296-L336 HydrophobicContact CG1-CD2 4.32Å; V296-L336 HydrophobicContact CG2-CD2 4.31Å; F319-L336 HydrophobicContact CD2-CD2 4.33Å; F319-L336 HydrophobicContact CE2-CD2 3.47Å; F319-L336 VanDerWaalsContact CE2-CD2 3.47Å; F319-L336 HydrophobicContact CZ-CD2 3.6Å; I327-L336 HydrophobicContact CG2-CD1 3.37Å; I327-L336 HydrophobicContact CG2-CG 4.37Å; F329-L336 HydrophobicContact CD1-CD1 3.84Å; F329-L336 HydrophobicContact CD2-CD1 3.87Å; F329-L336 HydrophobicContact CE1-CB 4.37Å; F329-L336 HydrophobicContact CE1-CD1 3.73Å; F329-L336 HydrophobicContact CE2-CD1 3.75Å; F329-L336 HydrophobicContact CG-CD1 3.92Å; F329-L336 HydrophobicContact CZ-CD1 3.69Å; L336-L338 HydrophobicContact CD2-CD2 4.01Å; L336-L338 HydrophobicContact CG-CD2 4.11Å; L336-V351 CarbonylContact O-C 3.55Å; L336-V351 WeakPolarHBondContact O-CA 3.45Å; L336-W352 HydrophobicContact CB-CB 4.43Å; L336-W352 PolarHBondContact N-O 3.12Å; L336-W352 PolarHBondContact O-N 2.97Å; L336-F354 HydrophobicContact CB-CD2 4.17Å; L336-F354 HydrophobicContact CD2-CD2 4.14Å; L336-F354 HydrophobicContact CD2-CE2 4.31Å
337L93.1Very high87.8Confident0 Ų022.6 Ų22.60%014%0.141CC..EExtended strand (participates in β ladder)trans-91.1123169.2171.168.5000109.7H328 M349 C350 V351 V371 W373 L380 F382H328-L337 HydrophobicContact CB-CB 4.21Å; H328-L337 HydrophobicContact CB-CD2 4.41Å; H328-L337 PolarHBondContact N-O 3.13Å; H328-L337 PolarHBondContact O-N 3.25Å; L337-M349 HydrophobicContact CD1-CB 4Å; L337-M349 HydrophobicContact CD1-CG 4.28Å; L337-C350 WeakPolarHBondContact CA-O 3.13Å; L337-V351 HydrophobicContact CB-CG2 4.39Å; L337-V351 HydrophobicContact CD1-CG2 3.77Å; L337-V371 HydrophobicContact CD2-CG1 4Å; L337-W373 HydrophobicContact CB-CZ2 3.85Å; L337-L380 HydrophobicContact CD2-CD2 3.6Å; L337-F382 HydrophobicContact CD2-CE1 4.41Å
338L91.7Very high87.6Confident0 Ų025.1 Ų25.10%015%0.154CC..EExtended strand (participates in β ladder)trans-98.2131.6164-55.8-173.9000109.1V306 F319 W324 I327 L336 M349 C350V306-L338 HydrophobicContact CB-CD1 4.19Å; V306-L338 HydrophobicContact CG1-CD1 4.28Å; V306-L338 HydrophobicContact CG1-CD2 3.84Å; V306-L338 HydrophobicContact CG2-CD1 4.12Å; V306-L338 HydrophobicContact CG2-CD2 4.35Å; F319-L338 HydrophobicContact CB-CD1 4.1Å; F319-L338 HydrophobicContact CG-CD1 4.31Å; W324-L338 HydrophobicContact CD2-CB 4.08Å; W324-L338 HydrophobicContact CE3-CB 4.14Å; W324-L338 HydrophobicContact CG-CB 4.44Å; I327-L338 HydrophobicContact CG1-CD2 4.2Å; I327-L338 HydrophobicContact CG2-CD2 4.46Å; L336-L338 HydrophobicContact CD2-CD2 4.01Å; L336-L338 HydrophobicContact CG-CD2 4.11Å; L338-M349 WeakPolarHBondContact O-CA 3.4Å; L338-C350 PolarHBondContact N-O 2.61Å; L338-C350 PolarHBondContact O-N 2.87Å
339L88.6Confident87.6Confident1 Ų123.3 Ų23.31%0.00515%0.146CC..EExtended strand (participates in β ladder)trans-131.5129.7-174.5163.160.5000109.9N325 E326 G341 M349 V371N325-L339 PolarHBondContact N-O 3.48Å; N325-L339 VanDerWaalsContact N-O 3.16Å; N325-L339 PolarHBondContact OD1-O 3.01Å; N325-L339 VanDerWaalsContact OD1-O 3.13Å; E326-L339 HydrophobicContact CB-CB 3.93Å; E326-L339 HydrophobicContact CB-CD2 4.22Å; E326-L339 HydrophobicContact CB-CG 4.08Å; E326-L339 PolarHBondContact N-O 2.68Å; E326-L339 PolarHBondContact O-N 2.9Å; L339-G341 VanDerWaalsContact CD1-CA 3.49Å; L339-G341 VanDerWaalsContact CG-CA 3.48Å; L339-G341 PolarHBondContact O-N 2.81Å; L339-M349 HydrophobicContact CB-CG 4.36Å; L339-M349 HydrophobicContact CD1-CE 3.49Å; L339-M349 VanDerWaalsContact CD1-CE 3.49Å; L339-M349 HydrophobicContact CD1-CG 3.46Å; L339-M349 VanDerWaalsContact CD1-CG 3.46Å; L339-M349 HydrophobicContact CD1-SD 4.27Å; L339-M349 HydrophobicContact CD2-CE 4.03Å; L339-M349 HydrophobicContact CG-CE 4.36Å; L339-M349 HydrophobicContact CG-CG 4.43Å; L339-V371 HydrophobicContact CD2-CG2 3.6Å
340A87Confident87.5Confident0 Ų022.3 Ų22.30%014%0.142CC..  trans-85.561.2164.300000108.7S323 W324 L345 G347 D348S323-A340 WeakPolarHBondContact O-CA 3.35Å; S323-A340 WeakPolarHBondContact O-CB 3.41Å; W324-A340 HydrophobicContact CE3-CB 3.99Å; W324-A340 HydrophobicContact CZ3-CB 4.12Å; A340-L345 HydrophobicContact CB-CB 4.39Å; A340-L345 WeakPolarHBondContact O-CB 3.4Å; A340-G347 WeakPolarHBondContact O-CA 3.42Å; A340-G347 PolarHBondContact O-N 3.25Å; A340-D348 HydrophobicContact CB-CB 4.16Å; A340-D348 WeakPolarHBondContact CB-O 3.32Å; A340-D348 PolarHBondContact N-O 3.06Å
341G73.5Confident87.6Confident4 Ų422.3 Ų22.34%0.04114%0.142CC..  trans-102.5167-16800000112N325 E326 L339N325-G341 PolarHBondContact ND2-O 2.78Å; N325-G341 PolarHBondContact OD1-N 2.86Å; N325-G341 PolarHBondContact OD1-O 3.36Å; E326-G341 VanDerWaalsContact OE1-C 3.32Å; E326-G341 WeakPolarHBondContact OE1-CA 3.29Å; L339-G341 VanDerWaalsContact CD1-CA 3.49Å; L339-G341 VanDerWaalsContact CG-CA 3.48Å; L339-G341 PolarHBondContact O-N 2.81Å
342L65.7Low87.8Confident55 Ų5523.4 Ų23.429%0.28814%0.144SC..SBendtrans62.6142.6175.6-60.7166.1000116.3E326 R388E326-L342 HydrophobicContact CG-CD1 4.2Å; E326-L342 WeakPolarHBondContact OE1-CD1 3.27Å; E326-L342 WeakPolarHBondContact OE1-CG 3.38Å; L342-R388 HydrophobicContact CD2-CG 4.48Å
343G69.9Low87.9Confident65 Ų6523.9 Ų23.967%0.6715%0.147SC*.THydrogen-bonded Turntrans76.1-130.5176.900000111.6
344N75.2Confident88Confident159 Ų15924.3 Ų24.385%0.8515%0.149SC*.THydrogen-bonded Turntrans-102.810.1-175.963.9-27.1000113.5
345L84.3Confident87.9Confident53 Ų5326.2 Ų26.228%0.27716%0.162SC..SBendtrans-73.1159.1179.4-62.9179.6000111.6N325 A340 G347N325-L345 HydrophobicContact CB-CD1 4.02Å; N325-L345 WeakPolarHBondContact ND2-CD1 2.83Å; N325-L345 WeakPolarHBondContact OD1-CD1 3.01Å; A340-L345 HydrophobicContact CB-CB 4.39Å; A340-L345 WeakPolarHBondContact O-CB 3.4Å; L345-G347 PolarHBondContact O-N 3.05Å
346S85.9Confident87.8Confident45 Ų4530 Ų3032%0.31519%0.186SC..  trans-67.2-19.8-169.245.50000114.5D348 K364S346-D348 VanDerWaalsContact C-N 3.33Å; S346-D348 VanDerWaalsContact CB-OD2 3.31Å; S346-D348 WeakPolarHBondContact CB-OD2 3.4Å; S346-D348 PolarHBondContact OG-OD2 2.78Å; S346-K364 WeakPolarHBondContact O-CE 3.34Å
347G89.5Confident87.8Confident10 Ų1032.5 Ų32.510%0.10320%0.197CC..  trans77.919.7-17200000113.6A340 L345 T365A340-G347 WeakPolarHBondContact O-CA 3.42Å; A340-G347 PolarHBondContact O-N 3.25Å; L345-G347 PolarHBondContact O-N 3.05Å; G347-T365 VanDerWaalsContact CA-O 3.3Å; G347-T365 WeakPolarHBondContact CA-O 2.98Å; G347-T365 PolarHBondContact O-N 2.8Å
348D93.3Very high87.8Confident55 Ų5536.7 Ų36.729%0.29422%0.217SC..EExtended strand (participates in β ladder)trans-66.9140.8172-58.5-37.7000109.6W324 A340 S346 K364W324-D348 HydrophobicContact CZ3-CB 4.31Å; W324-D348 WeakPolarHBondContact CZ3-O 3.32Å; A340-D348 HydrophobicContact CB-CB 4.16Å; A340-D348 WeakPolarHBondContact CB-O 3.32Å; A340-D348 PolarHBondContact N-O 3.06Å; S346-D348 VanDerWaalsContact C-N 3.33Å; S346-D348 VanDerWaalsContact CB-OD2 3.31Å; S346-D348 WeakPolarHBondContact CB-OD2 3.4Å; S346-D348 PolarHBondContact OG-OD2 2.78Å; D348-K364 WeakPolarHBondContact OD1-CD 3.33Å; D348-K364 WeakPolarHBondContact OD1-CE 3.44Å; D348-K364 IonicContact OD1-NZ 2.65Å
349M94.4Very high88Confident0 Ų043.3 Ų43.30%024%0.242CC..EExtended strand (participates in β ladder)trans-135.4144.1-175.1-76.3174.8177.600110.1L337 L338 L339 S362 F363 T365 V368 F382L337-M349 HydrophobicContact CD1-CB 4Å; L337-M349 HydrophobicContact CD1-CG 4.28Å; L338-M349 WeakPolarHBondContact O-CA 3.4Å; L339-M349 HydrophobicContact CB-CG 4.36Å; L339-M349 HydrophobicContact CD1-CE 3.49Å; L339-M349 VanDerWaalsContact CD1-CE 3.49Å; L339-M349 HydrophobicContact CD1-CG 3.46Å; L339-M349 VanDerWaalsContact CD1-CG 3.46Å; L339-M349 HydrophobicContact CD1-SD 4.27Å; L339-M349 HydrophobicContact CD2-CE 4.03Å; L339-M349 HydrophobicContact CG-CE 4.36Å; L339-M349 HydrophobicContact CG-CG 4.43Å; M349-S362 WeakPolarHBondContact O-CA 3.39Å; M349-S362 PolarHBondContact O-OG 2.84Å; M349-F363 HydrophobicContact CB-CD1 4.5Å; M349-F363 HydrophobicContact CB-CD2 3.94Å; M349-F363 HydrophobicContact CB-CE1 4.29Å; M349-F363 HydrophobicContact CB-CE2 3.73Å; M349-F363 HydrophobicContact CB-CG 4.33Å; M349-F363 HydrophobicContact CB-CZ 3.91Å; M349-F363 HydrophobicContact CG-CE2 4.17Å; M349-F363 PolarHBondContact N-O 3.32Å; M349-F363 PolarHBondContact O-N 3.07Å; M349-F363 VanDerWaalsContact O-O 3.08Å; M349-F363 HydrophobicContact SD-CD2 3.97Å; M349-F363 HydrophobicContact SD-CE2 3.29Å; M349-F363 WeakPolarHBondContact SD-CE2 3.22Å; M349-F363 HydrophobicContact SD-CZ 3.97Å; M349-T365 HydrophobicContact CE-CG2 4.22Å; M349-T365 WeakPolarHBondContact CE-OG1 3.29Å; M349-T365 HydrophobicContact SD-CG2 3.87Å; M349-T365 PolarHBondContact SD-OG1 2.83Å; M349-V368 HydrophobicContact CE-CB 4.41Å; M349-V368 HydrophobicContact CE-CG1 4.32Å; M349-V368 HydrophobicContact CE-CG2 4.13Å; M349-F382 HydrophobicContact CE-CD1 4.19Å; M349-F382 HydrophobicContact CE-CD2 4.3Å; M349-F382 HydrophobicContact CE-CE1 3.77Å; M349-F382 HydrophobicContact CE-CE2 3.93Å; M349-F382 HydrophobicContact CE-CG 4.44Å; M349-F382 HydrophobicContact CE-CZ 3.64Å; M349-F382 HydrophobicContact SD-CE1 4.18Å; M349-F382 HydrophobicContact SD-CE2 3.76Å; M349-F382 HydrophobicContact SD-CZ 3.48Å; M349-F382 WeakPolarHBondContact SD-CZ 3.21Å
350C95.2Very high88.4Confident2 Ų243.5 Ų43.51%0.01424%0.243CC..EExtended strand (participates in β ladder)trans-146.1125.6-179.3-1730000111.2W324 L337 L338 W352 R359 S361W324-C350 HydrophobicContact CH2-CB 3.86Å; W324-C350 HydrophobicContact CZ2-CB 4.26Å; L337-C350 WeakPolarHBondContact CA-O 3.13Å; L338-C350 PolarHBondContact N-O 2.61Å; L338-C350 PolarHBondContact O-N 2.87Å; C350-W352 PolarHBondContact SG-NE1 2.85Å; C350-R359 WeakPolarHBondContact SG-CD 3.28Å; C350-R359 WeakPolarHBondContact SG-CG 3.39Å; C350-S361 WeakPolarHBondContact CA-O 3.36Å; C350-S361 PolarHBondContact SG-O 3.26Å; C350-S361 VanDerWaalsContact SG-O 3.38Å
351V96.7Very high88.8Confident0 Ų043.7 Ų43.70%024%0.244CC..EExtended strand (participates in β ladder)trans-104133.7177.5-176.70000109.3L335 L336 L337 L360 S361 F363 W373 Y400L335-V351 HydrophobicContact CB-CG1 4.29Å; L336-V351 CarbonylContact O-C 3.55Å; L336-V351 WeakPolarHBondContact O-CA 3.45Å; L337-V351 HydrophobicContact CB-CG2 4.39Å; L337-V351 HydrophobicContact CD1-CG2 3.77Å; V351-L360 HydrophobicContact CG1-CD1 4.45Å; V351-L360 PolarHBondContact O-N 3.26Å; V351-S361 WeakPolarHBondContact CB-OG 3.42Å; V351-S361 PolarHBondContact N-O 3.03Å; V351-S361 PolarHBondContact O-N 3.26Å; V351-F363 HydrophobicContact CG2-CE1 3.98Å; V351-F363 HydrophobicContact CG2-CZ 4.47Å; V351-W373 HydrophobicContact CG1-CH2 4.34Å; V351-Y400 HydrophobicContact CG1-CD2 4.19Å
352W96.2Very high89.9Confident35 Ų3545.3 Ų45.313%0.13326%0.255CS..EExtended strand (participates in β ladder)trans-119.1144.1179.6-63.179.6000110.6F319 L335 L336 C350 F354 H357 E358 R359F319-W352 HydrophobicContact CB-CZ2 4.43Å; F319-W352 AromaticContact CD1-CD2 3.5Å; F319-W352 HydrophobicContact CD1-CD2 3.5Å; F319-W352 AromaticContact CD1-CE2 3.8Å; F319-W352 AromaticContact CD1-CE3 3.56Å; F319-W352 HydrophobicContact CD1-CE3 3.56Å; F319-W352 AromaticContact CD1-CG 3.97Å; F319-W352 HydrophobicContact CD1-CG 3.97Å; F319-W352 HydrophobicContact CD1-CH2 4.2Å; F319-W352 HydrophobicContact CD1-CZ2 4.16Å; F319-W352 AromaticContact CD1-CZ3 3.91Å; F319-W352 HydrophobicContact CD1-CZ3 3.91Å; F319-W352 HydrophobicContact CE1-CB 3.98Å; F319-W352 AromaticContact CE1-CD2 3.73Å; F319-W352 HydrophobicContact CE1-CD2 3.73Å; F319-W352 AromaticContact CE1-CE3 3.73Å; F319-W352 HydrophobicContact CE1-CE3 3.73Å; F319-W352 AromaticContact CE1-CG 3.84Å; F319-W352 HydrophobicContact CE1-CG 3.84Å; F319-W352 HydrophobicContact CE1-CZ3 4.44Å; L335-W352 WeakPolarHBondContact CA-O 3.5Å; L336-W352 HydrophobicContact CB-CB 4.43Å; L336-W352 PolarHBondContact N-O 3.12Å; L336-W352 PolarHBondContact O-N 2.97Å; C350-W352 PolarHBondContact SG-NE1 2.85Å; W352-F354 PolarHBondContact O-N 2.83Å; W352-H357 VanDerWaalsContact CE3-O 3.24Å; W352-H357 VanDerWaalsContact CZ3-O 3.23Å; W352-H357 WeakPolarHBondContact CZ3-O 3.28Å; W352-E358 CarbonylContact C-O 3.57Å; W352-E358 WeakPolarHBondContact CA-O 3.23Å; W352-E358 VanDerWaalsContact CE3-C 3.42Å; W352-R359 HydrophobicContact CD2-CB 4.02Å; W352-R359 HydrophobicContact CE3-CB 3.83Å; W352-R359 HydrophobicContact CH2-CB 3.85Å; W352-R359 HydrophobicContact CZ2-CB 4.01Å; W352-R359 HydrophobicContact CZ2-CG 4.42Å; W352-R359 HydrophobicContact CZ3-CB 3.75Å
353D94.9Very high91.2Very high13 Ų1343.6 Ų43.67%0.0725%0.245CC..EExtended strand (participates in β ladder)trans-75.3118.1160.5175.8-6.5000107.8S355 T356 H357 E358 L360 P448D353-S355 VanDerWaalsContact C-N 3.26Å; D353-S355 PolarHBondContact O-N 2.87Å; D353-S355 WeakPolarHBondContact OD1-CB 3.48Å; D353-S355 PolarHBondContact OD1-N 2.84Å; D353-S355 PolarHBondContact OD1-OG 2.98Å; D353-S355 PolarHBondContact OD2-OG 2.86Å; D353-T356 VanDerWaalsContact CB-OG1 3.27Å; D353-T356 WeakPolarHBondContact CB-OG1 3.48Å; D353-T356 PolarHBondContact OD1-N 2.94Å; D353-T356 VanDerWaalsContact OD2-CG2 3.31Å; D353-T356 WeakPolarHBondContact OD2-CG2 3.46Å; D353-T356 PolarHBondContact OD2-OG1 3.5Å; D353-H357 WeakPolarHBondContact O-CA 3.42Å; D353-H357 PolarHBondContact O-N 2.81Å; D353-E358 PolarHBondContact N-O 3.4Å; D353-L360 HydrophobicContact CB-CD1 3.98Å; D353-L360 HydrophobicContact CB-CD2 3.96Å; D353-L360 HydrophobicContact CB-CG 4Å; D353-P448 HydrophobicContact CB-CB 4.12Å; D353-P448 HydrophobicContact CB-CG 4.49Å
354F93.1Very high92.3Very high9 Ų945.8 Ų45.84%0.03924%0.236CC..THydrogen-bonded Turntrans-71.8-21.9-176.4-164.7-101.4000112.9Q274 Y294 V296 I308 F329 N334 L336 W352 H357Q274-F354 HydrophobicContact CB-CE1 4.33Å; Q274-F354 HydrophobicContact CB-CZ 4.5Å; Q274-F354 HydrophobicContact CG-CD1 4.26Å; Q274-F354 HydrophobicContact CG-CE1 4Å; Q274-F354 VanDerWaalsContact NE2-CD1 3.29Å; Y294-F354 HydrophobicContact CD2-CE1 4.11Å; Y294-F354 HydrophobicContact CG-CE1 4.27Å; Y294-F354 HydrophobicContact CG-CZ 4.43Å; V296-F354 HydrophobicContact CG2-CE2 3.73Å; V296-F354 HydrophobicContact CG2-CZ 4.2Å; I308-F354 HydrophobicContact CD1-CD2 4.2Å; I308-F354 HydrophobicContact CD1-CE2 3.59Å; I308-F354 HydrophobicContact CD1-CZ 3.96Å; I308-F354 HydrophobicContact CG1-CE2 3.86Å; I308-F354 HydrophobicContact CG1-CZ 4.19Å; I308-F354 HydrophobicContact CG2-CE2 4.45Å; I308-F354 HydrophobicContact CG2-CZ 3.92Å; F329-F354 HydrophobicContact CE1-CD1 4.29Å; F329-F354 AromaticContact CE1-CD2 3.5Å; F329-F354 HydrophobicContact CE1-CD2 3.5Å; F329-F354 VanDerWaalsContact CE1-CD2 3.5Å; F329-F354 HydrophobicContact CE1-CE1 4.37Å; F329-F354 AromaticContact CE1-CE2 3.58Å; F329-F354 HydrophobicContact CE1-CE2 3.58Å; F329-F354 AromaticContact CE1-CG 3.86Å; F329-F354 HydrophobicContact CE1-CG 3.86Å; F329-F354 HydrophobicContact CE1-CZ 4.03Å; F329-F354 AromaticContact CZ-CD2 3.9Å; F329-F354 HydrophobicContact CZ-CD2 3.9Å; F329-F354 AromaticContact CZ-CE2 3.47Å; F329-F354 HydrophobicContact CZ-CE2 3.47Å; F329-F354 VanDerWaalsContact CZ-CE2 3.47Å; F329-F354 AromaticContact CZ-CZ 3.83Å; F329-F354 HydrophobicContact CZ-CZ 3.83Å; N334-F354 WeakPolarHBondContact O-CB 3.48Å; N334-F354 PolarHBondContact O-N 3.05Å; L336-F354 HydrophobicContact CB-CD2 4.17Å; L336-F354 HydrophobicContact CD2-CD2 4.14Å; L336-F354 HydrophobicContact CD2-CE2 4.31Å; W352-F354 PolarHBondContact O-N 2.83Å; F354-H357 PolarHBondContact O-CD2 3.31Å; F354-H357 PolarHBondContact O-NE2 2.85Å
355S89Confident92.9Very high44 Ų4438.9 Ų38.931%0.30820%0.199SC..THydrogen-bonded Turntrans-85.4-35.4-176.472.70000113.4K284 D353K284-S355 PolarHBondContact NZ-O 3.04Å; D353-S355 VanDerWaalsContact C-N 3.26Å; D353-S355 PolarHBondContact O-N 2.87Å; D353-S355 WeakPolarHBondContact OD1-CB 3.48Å; D353-S355 PolarHBondContact OD1-N 2.84Å; D353-S355 PolarHBondContact OD1-OG 2.98Å; D353-S355 PolarHBondContact OD2-OG 2.86Å
356T92.1Very high93Very high80 Ų8041.2 Ų41.249%0.49122%0.216SC..THydrogen-bonded Turntrans-101.4-14.918060.20000112.7D353 E358D353-T356 VanDerWaalsContact CB-OG1 3.27Å; D353-T356 WeakPolarHBondContact CB-OG1 3.48Å; D353-T356 PolarHBondContact OD1-N 2.94Å; D353-T356 VanDerWaalsContact OD2-CG2 3.31Å; D353-T356 WeakPolarHBondContact OD2-CG2 3.46Å; D353-T356 PolarHBondContact OD2-OG1 3.5Å; T356-E358 PolarHBondContact O-N 2.88Å; T356-E358 PolarHBondContact OG1-N 2.82Å
357H93.7Very high93.1Very high53 Ų5342.2 Ų42.225%0.24522%0.218CC..  trans58.226.6-171.1-45.9150000113.1H317 F319 W352 D353 F354H317-H357 AromaticContact CD2-CG 3.67Å; H317-H357 AromaticContact CD2-ND1 3.75Å; H317-H357 AromaticContact CG-CE1 3.8Å; H317-H357 AromaticContact CG-CG 3.73Å; H317-H357 AromaticContact CG-ND1 3.3Å; H317-H357 VanDerWaalsContact CG-ND1 3.3Å; H317-H357 AromaticContact ND1-ND1 3.5Å; H317-H357 AromaticContact NE2-CG 3.99Å; F319-H357 HydrophobicContact CE1-CB 4.49Å; W352-H357 VanDerWaalsContact CE3-O 3.24Å; W352-H357 VanDerWaalsContact CZ3-O 3.23Å; W352-H357 WeakPolarHBondContact CZ3-O 3.28Å; D353-H357 WeakPolarHBondContact O-CA 3.42Å; D353-H357 PolarHBondContact O-N 2.81Å; F354-H357 PolarHBondContact O-CD2 3.31Å; F354-H357 PolarHBondContact O-NE2 2.85Å
358E94.8Very high93.1Very high87 Ų8742.6 Ų42.641%0.40722%0.219SC..  trans-88.5137.4175.6-171.6173.8-173.100111.1W352 D353 T356 L360 K450W352-E358 CarbonylContact C-O 3.57Å; W352-E358 WeakPolarHBondContact CA-O 3.23Å; W352-E358 VanDerWaalsContact CE3-C 3.42Å; D353-E358 PolarHBondContact N-O 3.4Å; T356-E358 PolarHBondContact O-N 2.88Å; T356-E358 PolarHBondContact OG1-N 2.82Å; E358-L360 PolarHBondContact O-N 2.75Å; E358-K450 WeakPolarHBondContact OE1-CD 3.28Å; E358-K450 WeakPolarHBondContact OE1-CE 3.39Å; E358-K450 IonicContact OE1-NZ 3.87Å; E358-K450 PolarHBondContact OE1-NZ 3.31Å
359R95.7Very high93.1Very high139 Ų13941.2 Ų41.253%0.52521%0.212SC..EExtended strand (participates in β ladder)trans-71.6114.8170.1179.6168.869.2179.64.7109.8C350 W352C350-R359 WeakPolarHBondContact SG-CD 3.28Å; C350-R359 WeakPolarHBondContact SG-CG 3.39Å; W352-R359 HydrophobicContact CD2-CB 4.02Å; W352-R359 HydrophobicContact CE3-CB 3.83Å; W352-R359 HydrophobicContact CH2-CB 3.85Å; W352-R359 HydrophobicContact CZ2-CB 4.01Å; W352-R359 HydrophobicContact CZ2-CG 4.42Å; W352-R359 HydrophobicContact CZ3-CB 3.75Å
360L96.3Very high93Very high6 Ų642.5 Ų42.53%0.03122%0.221CC..EExtended strand (participates in β ladder)trans-85.2-40-179.4-60.7179.7000112.6L335 V351 D353 E358 Y400 P448 K450 F451L335-L360 HydrophobicContact CD2-CD1 3.46Å; L335-L360 VanDerWaalsContact CD2-CD1 3.46Å; V351-L360 HydrophobicContact CG1-CD1 4.45Å; V351-L360 PolarHBondContact O-N 3.26Å; D353-L360 HydrophobicContact CB-CD1 3.98Å; D353-L360 HydrophobicContact CB-CD2 3.96Å; D353-L360 HydrophobicContact CB-CG 4Å; E358-L360 PolarHBondContact O-N 2.75Å; L360-Y400 HydrophobicContact CD1-CE2 4.16Å; L360-P448 HydrophobicContact CD1-CB 3.8Å; L360-P448 HydrophobicContact CD2-CB 4.33Å; L360-K450 HydrophobicContact CD2-CB 4.42Å; L360-F451 PolarHBondContact O-N 2.96Å; L360-F451 VanDerWaalsContact O-O 3.08Å
361S96.4Very high93Very high3 Ų343 Ų432%0.02122%0.224CC..EExtended strand (participates in β ladder)trans-152.4157.6-178.671.70000111.7C350 V351 Y400C350-S361 WeakPolarHBondContact CA-O 3.36Å; C350-S361 PolarHBondContact SG-O 3.26Å; C350-S361 VanDerWaalsContact SG-O 3.38Å; V351-S361 WeakPolarHBondContact CB-OG 3.42Å; V351-S361 PolarHBondContact N-O 3.03Å; V351-S361 PolarHBondContact O-N 3.26Å; S361-Y400 WeakPolarHBondContact CB-O 3.29Å; S361-Y400 PolarHBondContact OG-O 3.19Å
362S94.9Very high92.9Very high38 Ų3845.5 Ų45.527%0.26624%0.236SC..EExtended strand (participates in β ladder)trans-142.5127.5171.1-166.50000109M349 S453M349-S362 WeakPolarHBondContact O-CA 3.39Å; M349-S362 PolarHBondContact O-OG 2.84Å; S362-S453 PolarHBondContact O-OG 2.82Å; S362-S453 VanDerWaalsContact O-OG 3.08Å
363F94.5Very high92.9Very high19 Ų1944.4 Ų44.48%0.08323%0.232CC..EExtended strand (participates in β ladder)trans-150.7177.6-177.757.5-85.7000110.2M349 V351 T365 F382 Y400 G402M349-F363 HydrophobicContact CB-CD1 4.5Å; M349-F363 HydrophobicContact CB-CD2 3.94Å; M349-F363 HydrophobicContact CB-CE1 4.29Å; M349-F363 HydrophobicContact CB-CE2 3.73Å; M349-F363 HydrophobicContact CB-CG 4.33Å; M349-F363 HydrophobicContact CB-CZ 3.91Å; M349-F363 HydrophobicContact CG-CE2 4.17Å; M349-F363 PolarHBondContact N-O 3.32Å; M349-F363 PolarHBondContact O-N 3.07Å; M349-F363 VanDerWaalsContact O-O 3.08Å; M349-F363 HydrophobicContact SD-CD2 3.97Å; M349-F363 HydrophobicContact SD-CE2 3.29Å; M349-F363 WeakPolarHBondContact SD-CE2 3.22Å; M349-F363 HydrophobicContact SD-CZ 3.97Å; V351-F363 HydrophobicContact CG2-CE1 3.98Å; V351-F363 HydrophobicContact CG2-CZ 4.47Å; F363-T365 HydrophobicContact CD2-CG2 4.2Å; F363-T365 HydrophobicContact CE2-CG2 4.31Å; F363-F382 AromaticContact CE2-CE2 3.98Å; F363-F382 HydrophobicContact CE2-CE2 3.98Å; F363-F382 HydrophobicContact CE2-CZ 4.06Å; F363-F382 HydrophobicContact CZ-CZ 4.36Å; F363-Y400 WeakPolarHBondContact CE1-O 3.33Å; F363-G402 VanDerWaalsContact CD1-CA 3.41Å
364K92.4Very high92.8Very high111 Ų11143.8 Ų43.848%0.48323%0.228SC..EExtended strand (participates in β ladder)trans-137.9136.9-175.8-173.5174.2-1681570110.4S346 D348S346-K364 WeakPolarHBondContact O-CE 3.34Å; D348-K364 WeakPolarHBondContact OD1-CD 3.33Å; D348-K364 WeakPolarHBondContact OD1-CE 3.44Å; D348-K364 IonicContact OD1-NZ 2.65Å
365T86.7Confident92.8Very high14 Ų1443.8 Ų43.89%0.08623%0.229CC..  trans-131.7152.8172.965.30000109.6G347 M349 F363 V368 F382G347-T365 VanDerWaalsContact CA-O 3.3Å; G347-T365 WeakPolarHBondContact CA-O 2.98Å; G347-T365 PolarHBondContact O-N 2.8Å; M349-T365 HydrophobicContact CE-CG2 4.22Å; M349-T365 WeakPolarHBondContact CE-OG1 3.29Å; M349-T365 HydrophobicContact SD-CG2 3.87Å; M349-T365 PolarHBondContact SD-OG1 2.83Å; F363-T365 HydrophobicContact CD2-CG2 4.2Å; F363-T365 HydrophobicContact CE2-CG2 4.31Å; T365-V368 WeakPolarHBondContact OG1-CG2 3.34Å; T365-F382 HydrophobicContact CG2-CD2 3.99Å; T365-F382 HydrophobicContact CG2-CE2 3.86Å
366T87.3Confident92.9Very high103 Ų10342.5 Ų42.563%0.63222%0.219SC*.SBendtrans-108.7157177.553.90000110.6V368T366-V368 PolarHBondContact O-N 3.16Å; T366-V368 VanDerWaalsContact O-N 3.08Å
367D87.3Confident92.9Very high65 Ų6538.7 Ų38.735%0.34820%0.195SC..SBendtrans64.39.9169-60.1-21000116.3T369 T384 L389 N392D367-T369 PolarHBondContact O-N 3.18Å; D367-T384 HydrophobicContact CB-CG2 4.19Å; D367-T384 VanDerWaalsContact O-CG2 3.31Å; D367-T384 WeakPolarHBondContact O-CG2 3.39Å; D367-T384 PolarHBondContact O-OG1 2.83Å; D367-L389 HydrophobicContact CB-CD2 3.56Å; D367-N392 PolarHBondContact OD2-ND2 3.24Å
368V91.3Very high93Very high19 Ų1938.5 Ų38.512%0.11520%0.195CC..  trans-69.8125.4-179.1-179.10000111.4M349 T365 T366 V371 F382M349-V368 HydrophobicContact CE-CB 4.41Å; M349-V368 HydrophobicContact CE-CG1 4.32Å; M349-V368 HydrophobicContact CE-CG2 4.13Å; T365-V368 WeakPolarHBondContact OG1-CG2 3.34Å; T366-V368 PolarHBondContact O-N 3.16Å; T366-V368 VanDerWaalsContact O-N 3.08Å; V368-V371 HydrophobicContact CG1-CG2 3.57Å; V368-F382 HydrophobicContact CG1-CB 4.08Å; V368-F382 HydrophobicContact CG1-CD1 4.28Å; V368-F382 HydrophobicContact CG1-CG 4.34Å; V368-F382 HydrophobicContact CG2-CB 3.96Å; V368-F382 HydrophobicContact CG2-CG 4.25Å
369T92.9Very high93Very high25 Ų2535 Ų3515%0.15318%0.178CC..  trans-118.3-12.9175.965.20000113.5D367 A383 T385 R388 L389D367-T369 PolarHBondContact O-N 3.18Å; T369-A383 PolarHBondContact N-O 3.3Å; T369-A383 PolarHBondContact OG1-O 3.02Å; T369-T385 PolarHBondContact OG1-N 3.44Å; T369-T385 PolarHBondContact OG1-OG1 3.27Å; T369-R388 HydrophobicContact CG2-CB 4Å; T369-R388 HydrophobicContact CG2-CG 3.77Å; T369-L389 HydrophobicContact CG2-CB 3.84Å
370S92.7Very high93Very high28 Ų2828.4 Ų28.420%0.19615%0.153CC..EExtended strand (participates in β ladder)trans-143.8134.9178.4170.40000109.8F382 A383S370-F382 WeakPolarHBondContact O-CA 3.41Å; S370-A383 PolarHBondContact N-O 2.94Å; S370-A383 PolarHBondContact O-N 3.36Å
371V94.5Very high93Very high13 Ų1328.2 Ų28.28%0.07915%0.152CC..EExtended strand (participates in β ladder)trans-129.6130177.9178.50000109.3L337 L339 V368 L380 I381 F382L337-V371 HydrophobicContact CD2-CG1 4Å; L339-V371 HydrophobicContact CD2-CG2 3.6Å; V368-V371 HydrophobicContact CG1-CG2 3.57Å; V371-L380 HydrophobicContact CG1-CD2 4.04Å; V371-I381 WeakPolarHBondContact CA-O 3.43Å; V371-F382 HydrophobicContact CB-CD1 4.21Å; V371-F382 HydrophobicContact CB-CE1 4.35Å; V371-F382 HydrophobicContact CG1-CD1 3.93Å; V371-F382 HydrophobicContact CG1-CE1 3.65Å; V371-F382 HydrophobicContact CG2-CD1 3.73Å; V371-F382 HydrophobicContact CG2-CE1 3.96Å
372Q94.8Very high92.9Very high52 Ų5228.2 Ų28.224%0.24315%0.152CC..EExtended strand (participates in β ladder)trans-140.5130.3173.6-70.5173.239.900109.8L380 I381 V434 V436Q372-L380 CarbonylContact O-C 3.57Å; Q372-L380 WeakPolarHBondContact O-CA 3.31Å; Q372-I381 PolarHBondContact N-O 2.99Å; Q372-I381 PolarHBondContact O-N 3.14Å; Q372-V434 PolarHBondContact NE2-O 3.03Å; Q372-V436 HydrophobicContact CB-CG2 4.02Å
373W95.1Very high92.9Very high12 Ų1226.5 Ų26.55%0.04514%0.14CC..EExtended strand (participates in β ladder)trans-71.6144.2167.5-7394.5000110.6H328 F329 N330 P331 L335 L337 V351 G377 L380 F438H328-W373 PolarHBondContact O-NE1 3.45Å; H328-W373 VanDerWaalsContact O-NE1 3.14Å; F329-W373 VanDerWaalsContact C-CD1 3.5Å; F329-W373 PolarHBondContact O-NE1 3.18Å; N330-W373 HydrophobicContact CB-CD2 3.57Å; N330-W373 HydrophobicContact CB-CE3 3.69Å; N330-W373 HydrophobicContact CB-CG 3.99Å; N330-W373 HydrophobicContact CB-CH2 4.27Å; N330-W373 HydrophobicContact CB-CZ2 4.17Å; N330-W373 HydrophobicContact CB-CZ3 4.04Å; P331-W373 HydrophobicContact CG-CB 4.29Å; L335-W373 HydrophobicContact CB-CH2 4.06Å; L335-W373 HydrophobicContact CB-CZ2 4.35Å; L335-W373 HydrophobicContact CD1-CH2 4.04Å; L335-W373 HydrophobicContact CD1-CZ3 4.23Å; L337-W373 HydrophobicContact CB-CZ2 3.85Å; V351-W373 HydrophobicContact CG1-CH2 4.34Å; W373-G377 WeakPolarHBondContact CZ3-O 3.5Å; W373-L380 HydrophobicContact CD2-CD1 4.43Å; W373-L380 HydrophobicContact CD2-CD2 3.67Å; W373-L380 HydrophobicContact CD2-CG 3.76Å; W373-L380 HydrophobicContact CE3-CD1 3.96Å; W373-L380 HydrophobicContact CE3-CD2 4.05Å; W373-L380 HydrophobicContact CE3-CG 3.65Å; W373-L380 HydrophobicContact CG-CD2 4.14Å; W373-L380 HydrophobicContact CG-CG 4.38Å; W373-L380 HydrophobicContact CH2-CD1 3.92Å; W373-L380 HydrophobicContact CH2-CD2 4.26Å; W373-L380 HydrophobicContact CH2-CG 4.28Å; W373-L380 HydrophobicContact CZ2-CD1 4.39Å; W373-L380 HydrophobicContact CZ2-CD2 3.9Å; W373-L380 HydrophobicContact CZ2-CG 4.39Å; W373-L380 HydrophobicContact CZ3-CD1 3.68Å; W373-L380 HydrophobicContact CZ3-CD2 4.32Å; W373-L380 HydrophobicContact CZ3-CG 3.92Å; W373-F438 WeakPolarHBondContact O-CZ 3.31Å
374L94.5Very high92.9Very high0 Ų026 Ų260%014%0.139CC..  trans-79.4160.3170-67.6-166.8000111.2M1 L16 P331 D376 G377 H379 I381 I397 V436M1-L374 HydrophobicContact SD-CB 3.98Å; M1-L374 HydrophobicContact SD-CD1 3.96Å; M1-L374 HydrophobicContact SD-CG 4.49Å; L16-L374 HydrophobicContact CD2-CD1 3.43Å; L16-L374 VanDerWaalsContact CD2-CD1 3.43Å; P331-L374 WeakPolarHBondContact CG-O 3.48Å; L374-D376 PolarHBondContact O-N 3.44Å; L374-D376 VanDerWaalsContact O-N 3.14Å; L374-G377 PolarHBondContact O-N 3.45Å; L374-H379 HydrophobicContact CB-CB 4.09Å; L374-H379 WeakPolarHBondContact CB-O 3.31Å; L374-H379 HydrophobicContact CD1-CB 3.64Å; L374-H379 HydrophobicContact CG-CB 4.01Å; L374-H379 PolarHBondContact N-O 3.3Å; L374-I381 HydrophobicContact CD2-CD1 3.78Å; L374-I381 HydrophobicContact CD2-CG1 3.59Å; L374-I381 HydrophobicContact CG-CG1 4.27Å; L374-I397 HydrophobicContact CD1-CG2 4.38Å; L374-V436 HydrophobicContact CD2-CG1 4.08Å; L374-V436 HydrophobicContact CD2-CG2 3.67Å
375P91.5Very high93Very high8 Ų821.6 Ų21.65%0.05212%0.121CC..THydrogen-bonded Turntrans-62-18.4-178-25.637000115.5V436 F438 P439 L442P375-V436 HydrophobicContact CG-CG1 4.06Å; P375-F438 HydrophobicContact CB-CD1 4.13Å; P375-F438 HydrophobicContact CB-CE1 4.26Å; P375-F438 HydrophobicContact CG-CD1 3.88Å; P375-F438 HydrophobicContact CG-CE1 4.01Å; P375-F438 HydrophobicContact CG-CG 4.38Å; P375-P439 HydrophobicContact CB-CG 4.17Å; P375-L442 HydrophobicContact CB-CD2 3.72Å
376D92Very high93.3Very high17 Ų1721.5 Ų21.59%0.09112%0.12CC..THydrogen-bonded Turntrans-75.1-14173.754.921.9000113.4M1 K20 L374 E378 H379 P446M1-D376 HydrophobicContact CE-CB 3.36Å; M1-D376 VanDerWaalsContact CE-CG 3.47Å; M1-D376 VanDerWaalsContact CE-OD2 3.31Å; M1-D376 WeakPolarHBondContact CE-OD2 3.5Å; K20-D376 IonicContact NZ-OD2 3.93Å; K20-D376 PolarHBondContact NZ-OD2 2.99Å; K20-D376 VanDerWaalsContact NZ-OD2 3.08Å; L374-D376 PolarHBondContact O-N 3.44Å; L374-D376 VanDerWaalsContact O-N 3.14Å; D376-E378 PolarHBondContact O-N 3.5Å; D376-E378 PolarHBondContact OD1-N 2.97Å; D376-H379 VanDerWaalsContact CG-ND1 3.35Å; D376-H379 IonicContact OD1-CG 3.58Å; D376-H379 PolarHBondContact OD1-N 3.15Å; D376-H379 IonicContact OD1-ND1 3.51Å; D376-H379 PolarHBondContact OD1-ND1 3.47Å; D376-H379 IonicContact OD2-CE1 2.83Å; D376-H379 IonicContact OD2-CG 2.93Å; D376-H379 IonicContact OD2-ND1 2.86Å; D376-H379 PolarHBondContact OD2-ND1 2.92Å; D376-P446 WeakPolarHBondContact O-CD 2.92Å
377G92.8Very high93.4Very high0 Ų021 Ų210%012%0.119CC..SBendtrans69.59.1-17900000115.7N330 L335 W373 L374N330-G377 PolarHBondContact ND2-O 2.75Å; L335-G377 WeakPolarHBondContact CD1-O 3.21Å; W373-G377 WeakPolarHBondContact CZ3-O 3.5Å; L374-G377 PolarHBondContact O-N 3.45Å
378E94.2Very high93.6Very high50 Ų5025.3 Ų25.323%0.23413%0.13CC..SBendtrans-111.5-28.7175-64.3-167.2133.700112.3D376 Y400 P446D376-E378 PolarHBondContact O-N 3.5Å; D376-E378 PolarHBondContact OD1-N 2.97Å; E378-Y400 HydrophobicContact CB-CD1 3.94Å; E378-Y400 HydrophobicContact CB-CE1 4.05Å; E378-Y400 HydrophobicContact CG-CD1 4.36Å; E378-Y400 HydrophobicContact CG-CE1 4.01Å; E378-Y400 WeakPolarHBondContact O-CB 3.48Å; E378-Y400 VanDerWaalsContact O-CD1 3.28Å; E378-Y400 WeakPolarHBondContact O-CD1 3.39Å; E378-Y400 PolarHBondContact O-N 3.25Å; E378-P446 HydrophobicContact CG-CB 3.27Å; E378-P446 HydrophobicContact CG-CG 3.49Å; E378-P446 VanDerWaalsContact CG-CG 3.49Å; E378-P446 VanDerWaalsContact OE1-CB 3.31Å; E378-P446 WeakPolarHBondContact OE1-CB 3.32Å
379H95.4Very high93.6Very high13 Ų1326.8 Ų26.86%0.0614%0.137CC..EExtended strand (participates in β ladder)trans-107.2153.1-173.9-62.189.6000111.6K20 L374 D376 I397 W398 H399 L405K20-H379 WeakPolarHBondContact CE-CE1 3.17Å; L374-H379 HydrophobicContact CB-CB 4.09Å; L374-H379 WeakPolarHBondContact CB-O 3.31Å; L374-H379 HydrophobicContact CD1-CB 3.64Å; L374-H379 HydrophobicContact CG-CB 4.01Å; L374-H379 PolarHBondContact N-O 3.3Å; D376-H379 VanDerWaalsContact CG-ND1 3.35Å; D376-H379 IonicContact OD1-CG 3.58Å; D376-H379 PolarHBondContact OD1-N 3.15Å; D376-H379 IonicContact OD1-ND1 3.51Å; D376-H379 PolarHBondContact OD1-ND1 3.47Å; D376-H379 IonicContact OD2-CE1 2.83Å; D376-H379 IonicContact OD2-CG 2.93Å; D376-H379 IonicContact OD2-ND1 2.86Å; D376-H379 PolarHBondContact OD2-ND1 2.92Å; H379-I397 HydrophobicContact CB-CG2 4.27Å; H379-W398 CarbonylContact C-O 3.54Å; H379-W398 VanDerWaalsContact CA-O 3.28Å; H379-W398 WeakPolarHBondContact CA-O 3.38Å; H379-H399 AromaticContact NE2-CD2 3.65Å; H379-L405 VanDerWaalsContact CD2-CD1 3.41Å; H379-L405 WeakPolarHBondContact CD2-CD1 3.48Å
380L95.7Very high93.4Very high0 Ų031.1 Ų31.10%015%0.151CC..EExtended strand (participates in β ladder)trans-129144.8178.4-58.1100.6000110.7L337 V371 Q372 W373 F382 I397 W398L337-L380 HydrophobicContact CD2-CD2 3.6Å; V371-L380 HydrophobicContact CG1-CD2 4.04Å; Q372-L380 CarbonylContact O-C 3.57Å; Q372-L380 WeakPolarHBondContact O-CA 3.31Å; W373-L380 HydrophobicContact CD2-CD1 4.43Å; W373-L380 HydrophobicContact CD2-CD2 3.67Å; W373-L380 HydrophobicContact CD2-CG 3.76Å; W373-L380 HydrophobicContact CE3-CD1 3.96Å; W373-L380 HydrophobicContact CE3-CD2 4.05Å; W373-L380 HydrophobicContact CE3-CG 3.65Å; W373-L380 HydrophobicContact CG-CD2 4.14Å; W373-L380 HydrophobicContact CG-CG 4.38Å; W373-L380 HydrophobicContact CH2-CD1 3.92Å; W373-L380 HydrophobicContact CH2-CD2 4.26Å; W373-L380 HydrophobicContact CH2-CG 4.28Å; W373-L380 HydrophobicContact CZ2-CD1 4.39Å; W373-L380 HydrophobicContact CZ2-CD2 3.9Å; W373-L380 HydrophobicContact CZ2-CG 4.39Å; W373-L380 HydrophobicContact CZ3-CD1 3.68Å; W373-L380 HydrophobicContact CZ3-CD2 4.32Å; W373-L380 HydrophobicContact CZ3-CG 3.92Å; L380-F382 HydrophobicContact CB-CD1 4.43Å; L380-F382 HydrophobicContact CB-CE1 3.92Å; L380-F382 HydrophobicContact CB-CZ 4.15Å; L380-F382 HydrophobicContact CD2-CE1 3.92Å; L380-F382 HydrophobicContact CD2-CZ 4.24Å; L380-F382 HydrophobicContact CG-CE1 4.5Å; L380-I397 WeakPolarHBondContact O-CA 3.31Å; L380-W398 PolarHBondContact N-O 2.94Å; L380-W398 PolarHBondContact O-N 3.37Å
381I95.5Very high93.3Very high3 Ų333.7 Ų33.72%0.01517%0.165CC..EExtended strand (participates in β ladder)trans-95.7121.5162.1-53.7-163.8000108.4F3 V371 Q372 L374 F395 G396 I397 V434 V436F3-I381 HydrophobicContact CB-CD1 4.15Å; F3-I381 HydrophobicContact CD1-CD1 4.05Å; F3-I381 HydrophobicContact CD2-CD1 4Å; F3-I381 HydrophobicContact CE1-CD1 4.46Å; F3-I381 HydrophobicContact CE2-CD1 4.4Å; F3-I381 HydrophobicContact CG-CD1 3.8Å; V371-I381 WeakPolarHBondContact CA-O 3.43Å; Q372-I381 PolarHBondContact N-O 2.99Å; Q372-I381 PolarHBondContact O-N 3.14Å; L374-I381 HydrophobicContact CD2-CD1 3.78Å; L374-I381 HydrophobicContact CD2-CG1 3.59Å; L374-I381 HydrophobicContact CG-CG1 4.27Å; I381-F395 HydrophobicContact CG2-CB 4.36Å; I381-G396 WeakPolarHBondContact CA-O 3.38Å; I381-I397 HydrophobicContact CD1-CD1 4Å; I381-I397 HydrophobicContact CG1-CD1 3.67Å; I381-V434 HydrophobicContact CD1-CG1 4.32Å; I381-V434 HydrophobicContact CG2-CG1 3.97Å; I381-V436 HydrophobicContact CD1-CG2 3.71Å; I381-V436 HydrophobicContact CG1-CG2 4.19Å
382F95.2Very high93.1Very high3 Ų337.6 Ų37.61%0.01319%0.185CC..EExtended strand (participates in β ladder)trans-103.8138161.9-54.4-39.4000109.6L337 M349 F363 T365 V368 S370 V371 L380 F395 G396 W398L337-F382 HydrophobicContact CD2-CE1 4.41Å; M349-F382 HydrophobicContact CE-CD1 4.19Å; M349-F382 HydrophobicContact CE-CD2 4.3Å; M349-F382 HydrophobicContact CE-CE1 3.77Å; M349-F382 HydrophobicContact CE-CE2 3.93Å; M349-F382 HydrophobicContact CE-CG 4.44Å; M349-F382 HydrophobicContact CE-CZ 3.64Å; M349-F382 HydrophobicContact SD-CE1 4.18Å; M349-F382 HydrophobicContact SD-CE2 3.76Å; M349-F382 HydrophobicContact SD-CZ 3.48Å; M349-F382 WeakPolarHBondContact SD-CZ 3.21Å; F363-F382 AromaticContact CE2-CE2 3.98Å; F363-F382 HydrophobicContact CE2-CE2 3.98Å; F363-F382 HydrophobicContact CE2-CZ 4.06Å; F363-F382 HydrophobicContact CZ-CZ 4.36Å; T365-F382 HydrophobicContact CG2-CD2 3.99Å; T365-F382 HydrophobicContact CG2-CE2 3.86Å; V368-F382 HydrophobicContact CG1-CB 4.08Å; V368-F382 HydrophobicContact CG1-CD1 4.28Å; V368-F382 HydrophobicContact CG1-CG 4.34Å; V368-F382 HydrophobicContact CG2-CB 3.96Å; V368-F382 HydrophobicContact CG2-CG 4.25Å; S370-F382 WeakPolarHBondContact O-CA 3.41Å; V371-F382 HydrophobicContact CB-CD1 4.21Å; V371-F382 HydrophobicContact CB-CE1 4.35Å; V371-F382 HydrophobicContact CG1-CD1 3.93Å; V371-F382 HydrophobicContact CG1-CE1 3.65Å; V371-F382 HydrophobicContact CG2-CD1 3.73Å; V371-F382 HydrophobicContact CG2-CE1 3.96Å; L380-F382 HydrophobicContact CB-CD1 4.43Å; L380-F382 HydrophobicContact CB-CE1 3.92Å; L380-F382 HydrophobicContact CB-CZ 4.15Å; L380-F382 HydrophobicContact CD2-CE1 3.92Å; L380-F382 HydrophobicContact CD2-CZ 4.24Å; L380-F382 HydrophobicContact CG-CE1 4.5Å; F382-F395 CarbonylContact O-C 3.54Å; F382-F395 WeakPolarHBondContact O-CA 3.3Å; F382-F395 WeakPolarHBondContact O-CB 3.4Å; F382-G396 PolarHBondContact N-O 3.02Å; F382-G396 PolarHBondContact O-N 2.91Å; F382-W398 HydrophobicContact CB-CE3 3.83Å; F382-W398 HydrophobicContact CB-CH2 4.16Å; F382-W398 HydrophobicContact CB-CZ3 3.55Å; F382-W398 HydrophobicContact CD2-CB 4.25Å; F382-W398 AromaticContact CD2-CD2 3.34Å; F382-W398 HydrophobicContact CD2-CD2 3.34Å; F382-W398 AromaticContact CD2-CE2 3.8Å; F382-W398 AromaticContact CD2-CE3 3.36Å; F382-W398 HydrophobicContact CD2-CE3 3.36Å; F382-W398 AromaticContact CD2-CG 3.71Å; F382-W398 HydrophobicContact CD2-CG 3.71Å; F382-W398 HydrophobicContact CD2-CH2 4.32Å; F382-W398 HydrophobicContact CD2-CZ2 4.31Å; F382-W398 AromaticContact CD2-CZ3 3.85Å; F382-W398 HydrophobicContact CD2-CZ3 3.85Å; F382-W398 HydrophobicContact CE2-CB 3.85Å; F382-W398 AromaticContact CE2-CD2 3.8Å; F382-W398 HydrophobicContact CE2-CD2 3.8Å; F382-W398 HydrophobicContact CE2-CE3 4.17Å; F382-W398 AromaticContact CE2-CG 3.61Å; F382-W398 HydrophobicContact CE2-CG 3.61Å; F382-W398 HydrophobicContact CG-CD2 4.27Å; F382-W398 AromaticContact CG-CE3 3.84Å; F382-W398 HydrophobicContact CG-CE3 3.84Å; F382-W398 HydrophobicContact CG-CZ3 4.08Å
383A95.2Very high93.1Very high1 Ų135.5 Ų35.51%0.00818%0.176CC..EExtended strand (participates in β ladder)trans-136.1148.9176.800000111.7T369 S370 T385 G394 F395 L431 V434T369-A383 PolarHBondContact N-O 3.3Å; T369-A383 PolarHBondContact OG1-O 3.02Å; S370-A383 PolarHBondContact N-O 2.94Å; S370-A383 PolarHBondContact O-N 3.36Å; A383-T385 HydrophobicContact CB-CG2 4.02Å; A383-G394 CarbonylContact C-O 3.45Å; A383-G394 WeakPolarHBondContact CA-O 3.37Å; A383-F395 HydrophobicContact CB-CB 3.71Å; A383-L431 HydrophobicContact CB-CD2 4.4Å; A383-V434 HydrophobicContact CB-CB 4.3Å; A383-V434 HydrophobicContact CB-CG2 3.86Å
384T94.8Very high93.1Very high10 Ų1035 Ų356%0.06117%0.174CC..EExtended strand (participates in β ladder)trans-109.3110.8171.9-54.90000108.1D367 L389 V391 N392 N393 G394D367-T384 HydrophobicContact CB-CG2 4.19Å; D367-T384 VanDerWaalsContact O-CG2 3.31Å; D367-T384 WeakPolarHBondContact O-CG2 3.39Å; D367-T384 PolarHBondContact O-OG1 2.83Å; T384-L389 HydrophobicContact CG2-CB 4.07Å; T384-L389 HydrophobicContact CG2-CD2 3.75Å; T384-L389 HydrophobicContact CG2-CG 4.16Å; T384-V391 WeakPolarHBondContact CG2-O 3.19Å; T384-N392 VanDerWaalsContact CB-O 3.28Å; T384-N392 WeakPolarHBondContact CB-O 3.44Å; T384-N392 WeakPolarHBondContact CG2-O 3.34Å; T384-N393 WeakPolarHBondContact O-CA 2.95Å; T384-G394 PolarHBondContact N-O 2.84Å; T384-G394 PolarHBondContact O-N 2.93Å
385T94.5Very high93.2Very high18 Ų1835.3 Ų35.311%0.1118%0.176CC..  trans-123.4142.8-16864.90000113.3T369 A383 R388 L389 L431T369-T385 PolarHBondContact OG1-N 3.44Å; T369-T385 PolarHBondContact OG1-OG1 3.27Å; A383-T385 HydrophobicContact CB-CG2 4.02Å; T385-R388 PolarHBondContact O-N 3.08Å; T385-L389 CarbonylContact C-O 3.57Å; T385-L389 PolarHBondContact O-N 2.84Å; T385-L389 VanDerWaalsContact O-O 3.11Å; T385-L431 CarbonylContact C-O 3.47Å; T385-L431 VanDerWaalsContact CA-O 3.23Å; T385-L431 WeakPolarHBondContact CA-O 3.4Å; T385-L431 WeakPolarHBondContact CB-O 3.47Å; T385-L431 HydrophobicContact CG2-CD2 4.18Å; T385-L431 HydrophobicContact CG2-CG 4.12Å
386T92.4Very high93.4Very high11 Ų1135 Ų357%0.06717%0.173CC..THydrogen-bonded Turntrans-78.3143.2167.5-72.10000109.5L389 R390 N393 E430 L431 Y432T386-L389 PolarHBondContact N-O 3.01Å; T386-L389 PolarHBondContact OG1-O 3.5Å; T386-R390 HydrophobicContact CG2-CG 4.21Å; T386-N393 PolarHBondContact OG1-OD1 3.48Å; T386-E430 HydrophobicContact CG2-CB 3.86Å; T386-E430 HydrophobicContact CG2-CG 3.94Å; T386-L431 PolarHBondContact N-O 3.14Å; T386-Y432 HydrophobicContact CG2-CD1 4.25Å; T386-Y432 HydrophobicContact CG2-CE1 4.03Å
387P90.1Very high93.6Very high92 Ų9234.1 Ų34.160%0.59717%0.169SC*.THydrogen-bonded Turncis-90.8-2.210.336-36.5000115.1R390P387-R390 PolarHBondContact O-NH1 3.08Å
388R89.9Confident93.7Very high157 Ų15735.1 Ų35.159%0.59217%0.173SC*.THydrogen-bonded Turntrans-60.9-51.5-176-172.984.2-180-174.83110.9L342 T369 T385L342-R388 HydrophobicContact CD2-CG 4.48Å; T369-R388 HydrophobicContact CG2-CB 4Å; T369-R388 HydrophobicContact CG2-CG 3.77Å; T385-R388 PolarHBondContact O-N 3.08Å
389L91Very high93.8Very high49 Ų4934 Ų3426%0.25717%0.168SC..  trans-132125.5174.5-165.361.3000109.1D367 T369 T384 T385 T386 V391 N393D367-L389 HydrophobicContact CB-CD2 3.56Å; T369-L389 HydrophobicContact CG2-CB 3.84Å; T384-L389 HydrophobicContact CG2-CB 4.07Å; T384-L389 HydrophobicContact CG2-CD2 3.75Å; T384-L389 HydrophobicContact CG2-CG 4.16Å; T385-L389 CarbonylContact C-O 3.57Å; T385-L389 PolarHBondContact O-N 2.84Å; T385-L389 VanDerWaalsContact O-O 3.11Å; T386-L389 PolarHBondContact N-O 3.01Å; T386-L389 PolarHBondContact OG1-O 3.5Å; L389-V391 HydrophobicContact CD1-CG2 3.77Å; L389-V391 HydrophobicContact CD2-CG2 4.25Å; L389-V391 HydrophobicContact CG-CG2 3.8Å; L389-N393 PolarHBondContact O-ND2 3.02Å
390R89.7Confident93.8Very high117 Ų11733.5 Ų33.544%0.44217%0.165SC..  trans-100.73.7-176.3-70.9-178.9172.880-5.3113.7T386 P387T386-R390 HydrophobicContact CG2-CG 4.21Å; P387-R390 PolarHBondContact O-NH1 3.08Å
391V89.7Confident93.8Very high82 Ų8234.2 Ų34.250%0.49717%0.17SC..SBendtrans-113.1152.5177.1-65.90000108.8T384 L389 N393T384-V391 WeakPolarHBondContact CG2-O 3.19Å; L389-V391 HydrophobicContact CD1-CG2 3.77Å; L389-V391 HydrophobicContact CD2-CG2 4.25Å; L389-V391 HydrophobicContact CG-CG2 3.8Å; V391-N393 PolarHBondContact O-N 3.22Å; V391-N393 VanDerWaalsContact O-N 3.11Å; V391-N393 PolarHBondContact O-ND2 2.83Å
392N90.6Very high93.7Very high95 Ų9534.9 Ų34.951%0.50818%0.178SC..SBendtrans51.936.3176.9-56.6-24.5000113.4D367 T384D367-N392 PolarHBondContact OD2-ND2 3.24Å; T384-N392 VanDerWaalsContact CB-O 3.28Å; T384-N392 WeakPolarHBondContact CB-O 3.44Å; T384-N392 WeakPolarHBondContact CG2-O 3.34Å
393N94.7Very high93.7Very high8 Ų841.4 Ų41.44%0.04321%0.206CC..  trans-61.9140177.1-80.9-159.9000109.9T384 T386 L389 V391 V410 L431T384-N393 WeakPolarHBondContact O-CA 2.95Å; T386-N393 PolarHBondContact OG1-OD1 3.48Å; L389-N393 PolarHBondContact O-ND2 3.02Å; V391-N393 PolarHBondContact O-N 3.22Å; V391-N393 VanDerWaalsContact O-N 3.11Å; V391-N393 PolarHBondContact O-ND2 2.83Å; N393-V410 HydrophobicContact CB-CG1 3.85Å; N393-V410 HydrophobicContact CB-CG2 3.9Å; N393-V410 VanDerWaalsContact O-CG2 3.3Å; N393-V410 WeakPolarHBondContact O-CG2 3.12Å; N393-V410 PolarHBondContact O-N 3.36Å; N393-V410 VanDerWaalsContact O-N 3.13Å; N393-L431 HydrophobicContact CB-CB 4Å; N393-L431 PolarHBondContact OD1-N 3.47Å
394G95.9Very high93.6Very high1 Ų146.3 Ų46.31%0.0123%0.229CC..EExtended strand (participates in β ladder)trans159.2176.5-171.400000111A383 T384 R408 L431A383-G394 CarbonylContact C-O 3.45Å; A383-G394 WeakPolarHBondContact CA-O 3.37Å; T384-G394 PolarHBondContact N-O 2.84Å; T384-G394 PolarHBondContact O-N 2.93Å; G394-R408 VanDerWaalsContact CA-O 3.28Å; G394-R408 WeakPolarHBondContact CA-O 3.13Å; G394-L431 WeakPolarHBondContact O-CD2 3.46Å
395F96.4Very high93.7Very high7 Ų748.8 Ų48.83%0.03124%0.241CC..EExtended strand (participates in β ladder)trans-150.4163.2177.564.1-89.4000110.7F3 Y14 I22 I381 F382 A383 Y407 R408 L431 V434F3-F395 HydrophobicContact CE2-CD2 4.13Å; F3-F395 AromaticContact CE2-CE2 3.45Å; F3-F395 HydrophobicContact CE2-CE2 3.45Å; F3-F395 VanDerWaalsContact CE2-CE2 3.45Å; F3-F395 HydrophobicContact CE2-CZ 4.02Å; F3-F395 AromaticContact CZ-CE2 3.89Å; F3-F395 HydrophobicContact CZ-CE2 3.89Å; Y14-F395 HydrophobicContact CD2-CZ 4.21Å; Y14-F395 HydrophobicContact CE1-CZ 4.23Å; Y14-F395 HydrophobicContact CE2-CE1 4.22Å; Y14-F395 AromaticContact CE2-CZ 3.66Å; Y14-F395 HydrophobicContact CE2-CZ 3.66Å; Y14-F395 AromaticContact CZ-CZ 3.66Å; I22-F395 HydrophobicContact CD1-CD2 4.24Å; I22-F395 HydrophobicContact CD1-CE2 3.81Å; I22-F395 HydrophobicContact CG2-CE2 4.28Å; I381-F395 HydrophobicContact CG2-CB 4.36Å; F382-F395 CarbonylContact O-C 3.54Å; F382-F395 WeakPolarHBondContact O-CA 3.3Å; F382-F395 WeakPolarHBondContact O-CB 3.4Å; A383-F395 HydrophobicContact CB-CB 3.71Å; F395-Y407 WeakPolarHBondContact O-CD2 3.4Å; F395-R408 HydrophobicContact CE1-CB 4.16Å; F395-R408 HydrophobicContact CE2-CB 4.08Å; F395-R408 HydrophobicContact CE2-CG 4.35Å; F395-R408 HydrophobicContact CZ-CB 3.88Å; F395-R408 HydrophobicContact CZ-CG 4.29Å; F395-R408 PolarHBondContact N-O 2.79Å; F395-R408 PolarHBondContact O-N 3.38Å; F395-L431 HydrophobicContact CB-CD2 4.49Å; F395-L431 HydrophobicContact CD1-CD2 4.07Å; F395-V434 HydrophobicContact CB-CG2 4Å; F395-V434 HydrophobicContact CD1-CG2 3.95Å; F395-V434 HydrophobicContact CG-CG2 4.03Å
396G95.2Very high93.7Very high0 Ų048.9 Ų48.90%024%0.243CC..EExtended strand (participates in β ladder)trans-157.2176.9176.800000112.5I381 F382 W398 S406I381-G396 WeakPolarHBondContact CA-O 3.38Å; F382-G396 PolarHBondContact N-O 3.02Å; F382-G396 PolarHBondContact O-N 2.91Å; G396-W398 VanDerWaalsContact O-CE3 3.26Å; G396-W398 WeakPolarHBondContact O-CZ3 2.97Å; G396-S406 CarbonylContact C-O 3.34Å; G396-S406 WeakPolarHBondContact CA-O 3.2Å
397I96.2Very high93.8Very high0 Ų052.9 Ų52.90%026%0.257CS..EExtended strand (participates in β ladder)trans-111.3128.9178.6-49-58.8000108.8L16 I22 L374 H379 L380 I381 L405 S406L16-I397 HydrophobicContact CD1-CD1 4.36Å; L16-I397 HydrophobicContact CD1-CG1 3.81Å; L16-I397 HydrophobicContact CD2-CG2 4.33Å; I22-I397 HydrophobicContact CD1-CG1 4.06Å; I22-I397 HydrophobicContact CG1-CD1 4.49Å; I22-I397 HydrophobicContact CG1-CG1 3.94Å; L374-I397 HydrophobicContact CD1-CG2 4.38Å; H379-I397 HydrophobicContact CB-CG2 4.27Å; L380-I397 WeakPolarHBondContact O-CA 3.31Å; I381-I397 HydrophobicContact CD1-CD1 4Å; I381-I397 HydrophobicContact CG1-CD1 3.67Å; I397-L405 HydrophobicContact CG2-CD1 4.34Å; I397-L405 PolarHBondContact O-N 3.35Å; I397-S406 WeakPolarHBondContact CB-OG 3.45Å; I397-S406 VanDerWaalsContact CG1-OG 3.3Å; I397-S406 WeakPolarHBondContact CG1-OG 3.42Å; I397-S406 PolarHBondContact N-O 2.99Å; I397-S406 PolarHBondContact O-N 3.19Å
398W95.4Very high94Very high21 Ų2153.1 Ų53.18%0.0825%0.246CC..EExtended strand (participates in β ladder)trans-118.6145.4173.9-75.8-106.1000109.9H379 L380 F382 G396 K403 Q404 Y407H379-W398 CarbonylContact C-O 3.54Å; H379-W398 VanDerWaalsContact CA-O 3.28Å; H379-W398 WeakPolarHBondContact CA-O 3.38Å; L380-W398 PolarHBondContact N-O 2.94Å; L380-W398 PolarHBondContact O-N 3.37Å; F382-W398 HydrophobicContact CB-CE3 3.83Å; F382-W398 HydrophobicContact CB-CH2 4.16Å; F382-W398 HydrophobicContact CB-CZ3 3.55Å; F382-W398 HydrophobicContact CD2-CB 4.25Å; F382-W398 AromaticContact CD2-CD2 3.34Å; F382-W398 HydrophobicContact CD2-CD2 3.34Å; F382-W398 AromaticContact CD2-CE2 3.8Å; F382-W398 AromaticContact CD2-CE3 3.36Å; F382-W398 HydrophobicContact CD2-CE3 3.36Å; F382-W398 AromaticContact CD2-CG 3.71Å; F382-W398 HydrophobicContact CD2-CG 3.71Å; F382-W398 HydrophobicContact CD2-CH2 4.32Å; F382-W398 HydrophobicContact CD2-CZ2 4.31Å; F382-W398 AromaticContact CD2-CZ3 3.85Å; F382-W398 HydrophobicContact CD2-CZ3 3.85Å; F382-W398 HydrophobicContact CE2-CB 3.85Å; F382-W398 AromaticContact CE2-CD2 3.8Å; F382-W398 HydrophobicContact CE2-CD2 3.8Å; F382-W398 HydrophobicContact CE2-CE3 4.17Å; F382-W398 AromaticContact CE2-CG 3.61Å; F382-W398 HydrophobicContact CE2-CG 3.61Å; F382-W398 HydrophobicContact CG-CD2 4.27Å; F382-W398 AromaticContact CG-CE3 3.84Å; F382-W398 HydrophobicContact CG-CE3 3.84Å; F382-W398 HydrophobicContact CG-CZ3 4.08Å; G396-W398 VanDerWaalsContact O-CE3 3.26Å; G396-W398 WeakPolarHBondContact O-CZ3 2.97Å; W398-K403 WeakPolarHBondContact CA-O 3.23Å; W398-Q404 HydrophobicContact CD2-CG 4.31Å; W398-Q404 HydrophobicContact CH2-CG 4.46Å; W398-Q404 HydrophobicContact CZ2-CB 4.34Å; W398-Q404 HydrophobicContact CZ2-CG 3.7Å; W398-Y407 AromaticContact CH2-CD2 3.9Å; W398-Y407 HydrophobicContact CH2-CD2 3.9Å; W398-Y407 HydrophobicContact CH2-CE2 4.43Å
399H95.8Very high94.3Very high27 Ų2749.7 Ų49.713%0.12524%0.244CC..EExtended strand (participates in β ladder)trans-84.4148.1161.9-177.8-105000109.2H379 S401 G402 K403 L405 F451H379-H399 AromaticContact NE2-CD2 3.65Å; H399-S401 WeakPolarHBondContact ND1-CB 3.21Å; H399-S401 PolarHBondContact ND1-N 3.33Å; H399-S401 VanDerWaalsContact ND1-N 3.19Å; H399-S401 PolarHBondContact ND1-OG 2.82Å; H399-S401 PolarHBondContact O-N 2.75Å; H399-G402 PolarHBondContact O-N 3.03Å; H399-K403 PolarHBondContact N-O 3.31Å; H399-L405 HydrophobicContact CB-CD1 4.27Å; H399-L405 HydrophobicContact CB-CG 4.46Å; H399-F451 AromaticContact CE1-CE2 3.71Å; H399-F451 AromaticContact CE1-CZ 3.5Å
400Y95.7Very high94.3Very high1 Ų148.5 Ų48.50%0.00424%0.239CC..THydrogen-bonded Turntrans-59.6-14.5-178.975-95000114.6L335 V351 L360 S361 F363 E378 G402 K449 F451L335-Y400 HydrophobicContact CD1-CD1 4.16Å; L335-Y400 HydrophobicContact CD1-CD2 4.39Å; L335-Y400 HydrophobicContact CD1-CE1 4.31Å; L335-Y400 HydrophobicContact CD1-CG 4.19Å; V351-Y400 HydrophobicContact CG1-CD2 4.19Å; L360-Y400 HydrophobicContact CD1-CE2 4.16Å; S361-Y400 WeakPolarHBondContact CB-O 3.29Å; S361-Y400 PolarHBondContact OG-O 3.19Å; F363-Y400 WeakPolarHBondContact CE1-O 3.33Å; E378-Y400 HydrophobicContact CB-CD1 3.94Å; E378-Y400 HydrophobicContact CB-CE1 4.05Å; E378-Y400 HydrophobicContact CG-CD1 4.36Å; E378-Y400 HydrophobicContact CG-CE1 4.01Å; E378-Y400 WeakPolarHBondContact O-CB 3.48Å; E378-Y400 VanDerWaalsContact O-CD1 3.28Å; E378-Y400 WeakPolarHBondContact O-CD1 3.39Å; E378-Y400 PolarHBondContact O-N 3.25Å; Y400-G402 PolarHBondContact O-N 2.84Å; Y400-K449 WeakPolarHBondContact CE2-O 3.44Å; Y400-K449 WeakPolarHBondContact OH-CB 3.31Å; Y400-K449 PolarHBondContact OH-N 3Å; Y400-F451 HydrophobicContact CD2-CD2 4.31Å; Y400-F451 HydrophobicContact CD2-CE2 4.15Å; Y400-F451 HydrophobicContact CE1-CE2 4.37Å; Y400-F451 AromaticContact CE2-CD2 3.81Å; Y400-F451 HydrophobicContact CE2-CD2 3.81Å; Y400-F451 AromaticContact CE2-CE2 3.39Å; Y400-F451 HydrophobicContact CE2-CE2 3.39Å; Y400-F451 AromaticContact CZ-CE2 3.53Å
401S95.4Very high94.4Very high16 Ų1648 Ų4811%0.11224%0.241CC..THydrogen-bonded Turntrans-60.7-17.9165.962.50000114.9H399 K403 F451H399-S401 WeakPolarHBondContact ND1-CB 3.21Å; H399-S401 PolarHBondContact ND1-N 3.33Å; H399-S401 VanDerWaalsContact ND1-N 3.19Å; H399-S401 PolarHBondContact ND1-OG 2.82Å; H399-S401 PolarHBondContact O-N 2.75Å; S401-K403 PolarHBondContact OG-N 2.82Å; S401-F451 VanDerWaalsContact CB-CG 3.4Å
402G93.7Very high94.5Very high17 Ų1753.8 Ų53.818%0.17526%0.255CS..SBendtrans97.8-8-171.200000114.8F363 H399 Y400 Q404F363-G402 VanDerWaalsContact CD1-CA 3.41Å; H399-G402 PolarHBondContact O-N 3.03Å; Y400-G402 PolarHBondContact O-N 2.84Å; G402-Q404 PolarHBondContact O-N 2.77Å
403K94.9Very high94.5Very high139 Ų13951.6 Ų51.660%0.60424%0.239SC*.  trans-67.4121.6175.9-171.8-177.3177.3-176.20111.1W398 H399 S401 L405W398-K403 WeakPolarHBondContact CA-O 3.23Å; H399-K403 PolarHBondContact N-O 3.31Å; S401-K403 PolarHBondContact OG-N 2.82Å; K403-L405 HydrophobicContact CD-CD2 3.95Å; K403-L405 HydrophobicContact CG-CD2 4.11Å; K403-L405 PolarHBondContact O-N 2.97Å
404Q94.6Very high94.3Very high105 Ų10556.2 Ų56.249%0.49128%0.279SS..EExtended strand (participates in β ladder)trans-73.5121.3167.9-172.9179.1-44.800109.5W398 G402W398-Q404 HydrophobicContact CD2-CG 4.31Å; W398-Q404 HydrophobicContact CH2-CG 4.46Å; W398-Q404 HydrophobicContact CZ2-CB 4.34Å; W398-Q404 HydrophobicContact CZ2-CG 3.7Å; G402-Q404 PolarHBondContact O-N 2.77Å
405L95.6Very high94Very high61 Ų6161.8 Ų61.832%0.31931%0.312SS..EExtended strand (participates in β ladder)trans-94.1-43.4-178.7-58.2-177.5000111.5K20 H379 I397 H399 K403K20-L405 HydrophobicContact CB-CB 4.29Å; K20-L405 HydrophobicContact CB-CD1 3.66Å; K20-L405 HydrophobicContact CG-CD1 3.83Å; H379-L405 VanDerWaalsContact CD2-CD1 3.41Å; H379-L405 WeakPolarHBondContact CD2-CD1 3.48Å; I397-L405 HydrophobicContact CG2-CD1 4.34Å; I397-L405 PolarHBondContact O-N 3.35Å; H399-L405 HydrophobicContact CB-CD1 4.27Å; H399-L405 HydrophobicContact CB-CG 4.46Å; K403-L405 HydrophobicContact CD-CD2 3.95Å; K403-L405 HydrophobicContact CG-CD2 4.11Å; K403-L405 PolarHBondContact O-N 2.97Å
406S95Very high93.8Very high20 Ų2065.2 Ų65.214%0.1434%0.335CS..EExtended strand (participates in β ladder)trans-151155.1179.157.20000110.8K20 I22 G396 I397K20-S406 PolarHBondContact O-OG 3.49Å; I22-S406 WeakPolarHBondContact CD1-OG 3.33Å; G396-S406 CarbonylContact C-O 3.34Å; G396-S406 WeakPolarHBondContact CA-O 3.2Å; I397-S406 WeakPolarHBondContact CB-OG 3.45Å; I397-S406 VanDerWaalsContact CG1-OG 3.3Å; I397-S406 WeakPolarHBondContact CG1-OG 3.42Å; I397-S406 PolarHBondContact N-O 2.99Å; I397-S406 PolarHBondContact O-N 3.19Å
407Y94.6Very high93.5Very high95 Ų9567.2 Ų67.237%0.37334%0.343SS..EExtended strand (participates in β ladder)trans-148.9139.9177.9-179.1-100.5000110.8F395 W398 P409F395-Y407 WeakPolarHBondContact O-CD2 3.4Å; W398-Y407 AromaticContact CH2-CD2 3.9Å; W398-Y407 HydrophobicContact CH2-CD2 3.9Å; W398-Y407 HydrophobicContact CH2-CE2 4.43Å; Y407-P409 HydrophobicContact CE1-CB 4.09Å; Y407-P409 HydrophobicContact CE1-CG 4.48Å
408R94.4Very high93.3Very high97 Ų9770.7 Ų70.737%0.36637%0.371SS..EExtended strand (participates in β ladder)trans-128.7102.7-178.6-74.9-78.6-176.8137.8-4.1108.3I22 G394 F395I22-R408 HydrophobicContact CB-CG 4.18Å; I22-R408 HydrophobicContact CD1-CB 4.33Å; I22-R408 HydrophobicContact CD1-CG 3.61Å; I22-R408 HydrophobicContact CG2-CG 4.08Å; I22-R408 PolarHBondContact O-NH2 2.75Å; G394-R408 VanDerWaalsContact CA-O 3.28Å; G394-R408 WeakPolarHBondContact CA-O 3.13Å; F395-R408 HydrophobicContact CE1-CB 4.16Å; F395-R408 HydrophobicContact CE2-CB 4.08Å; F395-R408 HydrophobicContact CE2-CG 4.35Å; F395-R408 HydrophobicContact CZ-CB 3.88Å; F395-R408 HydrophobicContact CZ-CG 4.29Å; F395-R408 PolarHBondContact N-O 2.79Å; F395-R408 PolarHBondContact O-N 3.38Å
409P94.8Very high93.1Very high85 Ų8573.1 Ų73.155%0.55240%0.395SS*.EExtended strand (participates in β ladder)trans-66.7154.6165.930.4-33.3000109.7Y407Y407-P409 HydrophobicContact CE1-CB 4.09Å; Y407-P409 HydrophobicContact CE1-CG 4.48Å
410V93Very high92.8Very high25 Ų2575 Ų7515%0.15241%0.409CS..PPolyproline II helixtrans-62.7152.7167.3-65.60000111.1N393 D428 H429 L431N393-V410 HydrophobicContact CB-CG1 3.85Å; N393-V410 HydrophobicContact CB-CG2 3.9Å; N393-V410 VanDerWaalsContact O-CG2 3.3Å; N393-V410 WeakPolarHBondContact O-CG2 3.12Å; N393-V410 PolarHBondContact O-N 3.36Å; N393-V410 VanDerWaalsContact O-N 3.13Å; V410-D428 HydrophobicContact CG2-CB 3.88Å; V410-H429 WeakPolarHBondContact CG2-O 3.34Å; V410-L431 HydrophobicContact CG1-CB 3.72Å
411E90.4Very high92.5Very high105 Ų10581.4 Ų81.449%0.49145%0.451SS..PPolyproline II helixtrans-69.2150.5175.3-68.8176.3-150.700111.4R12 H429R12-E411 IonicContact CZ-OE1 2.73Å; R12-E411 IonicContact NE-OE1 2.67Å; R12-E411 IonicContact NH2-OE1 2.8Å; R12-E411 PolarHBondContact NH2-OE1 3.06Å; R12-E411 IonicContact NH2-OE2 3.89Å; E411-H429 PolarHBondContact O-CD2 2.82Å; E411-H429 PolarHBondContact O-N 2.81Å
412R92.1Very high92Very high205 Ų20587.7 Ų87.777%0.77448%0.483SS*.EExtended strand (participates in β ladder)trans-73.1143.2169.9-70.7-160.9174.31523.3110A414 D428R412-A414 PolarHBondContact O-N 2.87Å; R412-D428 WeakPolarHBondContact CG-OD1 3.3Å; R412-D428 IonicContact NE-OD1 3.98Å
413R90.7Very high91.6Very high49 Ų4990.3 Ų90.319%0.18549%0.493CS..EExtended strand (participates in β ladder)trans-65.6132.3171.5-69.3168.7166.1-87.2-2.6109.5S8 V415 A426 V427 D428 E430S8-R413 PolarHBondContact OG-NH2 3.35Å; R413-V415 WeakPolarHBondContact CB-O 3.43Å; R413-V415 PolarHBondContact O-N 2.96Å; R413-A426 WeakPolarHBondContact CD-O 3.14Å; R413-V427 WeakPolarHBondContact CB-O 3.14Å; R413-V427 PolarHBondContact N-O 2.98Å; R413-D428 WeakPolarHBondContact CD-O 3.47Å; R413-D428 PolarHBondContact NE-O 3.26Å; R413-E430 IonicContact CZ-OE2 3.71Å; R413-E430 IonicContact NE-OE2 2.74Å; R413-E430 IonicContact NH2-OE1 3.86Å; R413-E430 IonicContact NH2-OE2 3.45Å; R413-E430 PolarHBondContact NH2-OE2 3.15Å
414A90.1Very high91.3Very high105 Ų10586.7 Ų86.787%0.86848%0.484SS*.EExtended strand (participates in β ladder)trans-57.7-38170.300000111.3R412R412-A414 PolarHBondContact O-N 2.87Å
415V90.4Very high91.1Very high118 Ų11885 Ų8572%0.71549%0.488SS*.EExtended strand (participates in β ladder)trans-124.1112.9170.9-177.10000108.6R413 R417R413-V415 WeakPolarHBondContact CB-O 3.43Å; R413-V415 PolarHBondContact O-N 2.96Å; V415-R417 PolarHBondContact O-N 2.76Å
416P91.1Very high90.9Very high78 Ų7883 Ų8351%0.50648%0.48SS..EExtended strand (participates in β ladder)trans-53.2135.7176.1-28.436000111.7A418 A426 V427P416-A418 PolarHBondContact O-N 2.98Å; P416-A426 CarbonylContact C-O 3.53Å; P416-A426 WeakPolarHBondContact CA-O 3.19Å; P416-V427 HydrophobicContact CB-CG1 4.23Å; P416-V427 HydrophobicContact CG-CG1 4.37Å
417R89.9Confident90.7Very high43 Ų4386.3 Ų86.316%0.16250%0.499CS..EExtended strand (participates in β ladder)trans-75.9123.4176.8-171177.255.964.50.2108.6V415 L423 P424 A425 A426 E430V415-R417 PolarHBondContact O-N 2.76Å; R417-L423 VanDerWaalsContact NH1-CB 3.32Å; R417-L423 PolarHBondContact NH1-O 3.08Å; R417-P424 PolarHBondContact NH1-O 2.83Å; R417-P424 PolarHBondContact NH2-O 2.86Å; R417-A425 CarbonylContact O-C 3.59Å; R417-A425 VanDerWaalsContact O-CA 3.29Å; R417-A425 WeakPolarHBondContact O-CA 3.29Å; R417-A426 HydrophobicContact CB-CB 4.41Å; R417-A426 PolarHBondContact N-O 2.73Å; R417-A426 PolarHBondContact O-N 2.93Å; R417-E430 IonicContact CZ-OE1 3.27Å; R417-E430 IonicContact NE-OE1 3.99Å; R417-E430 PolarHBondContact NE-OE1 3.44Å; R417-E430 IonicContact NH2-OE1 3.75Å; R417-E430 PolarHBondContact NH2-OE1 3.42Å
418A92.3Very high90.6Very high73 Ų7384.5 Ų84.560%0.60350%0.495SS*.PPolyproline II helixtrans-63.3157170.700000111.1P416 T420P416-A418 PolarHBondContact O-N 2.98Å; A418-T420 PolarHBondContact O-N 2.84Å
419A91.3Very high90.5Very high71 Ų7181.2 Ų81.259%0.58748%0.484SS*.PPolyproline II helixtrans-63.5137.1170.300000109.7L423 A425A419-L423 WeakPolarHBondContact CA-O 3.43Å; A419-A425 HydrophobicContact CB-CB 4.14Å
420T89.1Confident90.4Very high67 Ų6777.8 Ų77.841%0.41146%0.461SS..  trans-118.5165.8170.859.80000107.9A418 D422 L423A418-T420 PolarHBondContact O-N 2.84Å; T420-D422 PolarHBondContact O-N 3.23Å; T420-D422 VanDerWaalsContact O-N 3.1Å; T420-L423 PolarHBondContact N-O 2.98Å; T420-L423 PolarHBondContact O-N 3.2Å; T420-L423 VanDerWaalsContact O-O 3.05Å; T420-L423 WeakPolarHBondContact OG1-CB 3.16Å; T420-L423 PolarHBondContact OG1-N 2.93Å; T420-L423 VanDerWaalsContact OG1-N 3.12Å; T420-L423 PolarHBondContact OG1-O 2.68Å
421P89.5Confident90.5Very high136 Ų13676.7 Ų76.788%0.88345%0.454SS*.SBendtrans-52.4-33.3176.4-28.136.4000113.5
422D85.3Confident90.6Very high147 Ų14775.8 Ų75.879%0.78645%0.447SS*.SBendtrans-96.2-19.9-174.8-56.5-46000113.8T420T420-D422 PolarHBondContact O-N 3.23Å; T420-D422 VanDerWaalsContact O-N 3.1Å
423L85.6Confident90.6Very high72 Ų7269.5 Ų69.538%0.37743%0.426SS..SBendtrans-140130.6-172.2-63.7170.2000112.3R417 A419 T420R417-L423 VanDerWaalsContact NH1-CB 3.32Å; R417-L423 PolarHBondContact NH1-O 3.08Å; A419-L423 WeakPolarHBondContact CA-O 3.43Å; T420-L423 PolarHBondContact N-O 2.98Å; T420-L423 PolarHBondContact O-N 3.2Å; T420-L423 VanDerWaalsContact O-O 3.05Å; T420-L423 WeakPolarHBondContact OG1-CB 3.16Å; T420-L423 PolarHBondContact OG1-N 2.93Å; T420-L423 VanDerWaalsContact OG1-N 3.12Å; T420-L423 PolarHBondContact OG1-O 2.68Å
424P88Confident90.8Very high64 Ų6467.2 Ų67.242%0.41642%0.418SS..  trans-65.4161.4177.330.6-36.1000111.1R417R417-P424 PolarHBondContact NH1-O 2.83Å; R417-P424 PolarHBondContact NH2-O 2.86Å
425A90.3Very high91Very high70 Ų7062.9 Ų62.958%0.57938%0.381SS*.  trans-58.6146.3173.900000111.5R417 A419R417-A425 CarbonylContact O-C 3.59Å; R417-A425 VanDerWaalsContact O-CA 3.29Å; R417-A425 WeakPolarHBondContact O-CA 3.29Å; A419-A425 HydrophobicContact CB-CB 4.14Å
426A90.2Very high91.1Very high18 Ų1857.9 Ų57.915%0.14935%0.351CS..EExtended strand (participates in β ladder)trans-140.4127.8-178.600000111.7R413 P416 R417R413-A426 WeakPolarHBondContact CD-O 3.14Å; P416-A426 CarbonylContact C-O 3.53Å; P416-A426 WeakPolarHBondContact CA-O 3.19Å; R417-A426 HydrophobicContact CB-CB 4.41Å; R417-A426 PolarHBondContact N-O 2.73Å; R417-A426 PolarHBondContact O-N 2.93Å
427V92Very high90.9Very high89 Ų8954.4 Ų54.454%0.53933%0.328SS..EExtended strand (participates in β ladder)trans-91.4-30.7172.8-74.40000112.1R413 P416R413-V427 WeakPolarHBondContact CB-O 3.14Å; R413-V427 PolarHBondContact N-O 2.98Å; P416-V427 HydrophobicContact CB-CG1 4.23Å; P416-V427 HydrophobicContact CG-CG1 4.37Å
428D92.9Very high90.8Very high57 Ų5755.3 Ų55.331%0.30533%0.333SS..EExtended strand (participates in β ladder)trans-101.6158.2179.2-55.1-40.4000109.9V410 R412 R413V410-D428 HydrophobicContact CG2-CB 3.88Å; R412-D428 WeakPolarHBondContact CG-OD1 3.3Å; R412-D428 IonicContact NE-OD1 3.98Å; R413-D428 WeakPolarHBondContact CD-O 3.47Å; R413-D428 PolarHBondContact NE-O 3.26Å
429H92.6Very high90.3Very high29 Ų2954.5 Ų54.513%0.13432%0.322CS..PPolyproline II helixtrans-70.2140.4170.2-79-71.1000111S8 D9 V410 E411S8-H429 WeakPolarHBondContact OG-CA 3.5Å; S8-H429 WeakPolarHBondContact OG-CB 2.95Å; S8-H429 PolarHBondContact OG-ND1 2.86Å; D9-H429 HydrophobicContact CB-CB 4.42Å; D9-H429 IonicContact OD2-CD2 3.08Å; D9-H429 IonicContact OD2-CG 3.6Å; V410-H429 WeakPolarHBondContact CG2-O 3.34Å; E411-H429 PolarHBondContact O-CD2 2.82Å; E411-H429 PolarHBondContact O-N 2.81Å
430E92.2Very high89.6Confident13 Ų1356.4 Ų56.46%0.06133%0.326CS..PPolyproline II helixtrans-78.7126.7176.2-62.792.2159.500110.9A7 S8 T386 R413 R417 Y432A7-E430 CarbonylContact C-O 3.57Å; A7-E430 WeakPolarHBondContact CA-O 3.01Å; A7-E430 VanDerWaalsContact CB-O 3.29Å; A7-E430 WeakPolarHBondContact CB-O 3.31Å; S8-E430 WeakPolarHBondContact CB-OE2 3.41Å; S8-E430 PolarHBondContact N-O 3.06Å; S8-E430 PolarHBondContact OG-N 3.03Å; S8-E430 PolarHBondContact OG-OE2 2.74Å; S8-E430 VanDerWaalsContact OG-OE2 3.07Å; T386-E430 HydrophobicContact CG2-CB 3.86Å; T386-E430 HydrophobicContact CG2-CG 3.94Å; R413-E430 IonicContact CZ-OE2 3.71Å; R413-E430 IonicContact NE-OE2 2.74Å; R413-E430 IonicContact NH2-OE1 3.86Å; R413-E430 IonicContact NH2-OE2 3.45Å; R413-E430 PolarHBondContact NH2-OE2 3.15Å; R417-E430 IonicContact CZ-OE1 3.27Å; R417-E430 IonicContact NE-OE1 3.99Å; R417-E430 PolarHBondContact NE-OE1 3.44Å; R417-E430 IonicContact NH2-OE1 3.75Å; R417-E430 PolarHBondContact NH2-OE1 3.42Å; E430-Y432 HydrophobicContact CB-CD1 4.46Å; E430-Y432 HydrophobicContact CB-CE1 3.76Å
431L94.4Very high89.2Confident2 Ų261.7 Ų61.71%0.0134%0.344CS..EExtended strand (participates in β ladder)trans-88.1119.1172.2-178.762.6000109.2A7 A383 T385 T386 N393 G394 F395 V410 V434A7-L431 HydrophobicContact CB-CD1 4.13Å; A383-L431 HydrophobicContact CB-CD2 4.4Å; T385-L431 CarbonylContact C-O 3.47Å; T385-L431 VanDerWaalsContact CA-O 3.23Å; T385-L431 WeakPolarHBondContact CA-O 3.4Å; T385-L431 WeakPolarHBondContact CB-O 3.47Å; T385-L431 HydrophobicContact CG2-CD2 4.18Å; T385-L431 HydrophobicContact CG2-CG 4.12Å; T386-L431 PolarHBondContact N-O 3.14Å; N393-L431 HydrophobicContact CB-CB 4Å; N393-L431 PolarHBondContact OD1-N 3.47Å; G394-L431 WeakPolarHBondContact O-CD2 3.46Å; F395-L431 HydrophobicContact CB-CD2 4.49Å; F395-L431 HydrophobicContact CD1-CD2 4.07Å; V410-L431 HydrophobicContact CG1-CB 3.72Å; L431-V434 HydrophobicContact CD1-CG2 4.11Å; L431-V434 HydrophobicContact CD2-CG2 3.9Å; L431-V434 HydrophobicContact CG-CG2 4.33Å
432Y92.5Very high89.1Confident85 Ų8556 Ų5633%0.33331%0.306SS..EExtended strand (participates in β ladder)trans-92.2-42.5-178.1-57.7-52000112.4W6 S8 T386 E430W6-Y432 HydrophobicContact CD2-CD2 4Å; W6-Y432 AromaticContact CE2-CD2 3.84Å; W6-Y432 HydrophobicContact CE3-CD2 4.45Å; W6-Y432 HydrophobicContact CG-CD2 4.34Å; W6-Y432 HydrophobicContact CZ2-CD2 4.17Å; W6-Y432 WeakPolarHBondContact O-CA 3.5Å; W6-Y432 WeakPolarHBondContact O-CB 3.31Å; W6-Y432 PolarHBondContact O-N 3Å; S8-Y432 WeakPolarHBondContact CB-OH 3.42Å; T386-Y432 HydrophobicContact CG2-CD1 4.25Å; T386-Y432 HydrophobicContact CG2-CE1 4.03Å; E430-Y432 HydrophobicContact CB-CD1 4.46Å; E430-Y432 HydrophobicContact CB-CE1 3.76Å
433Q93Very high89.1Confident73 Ų7356.2 Ų56.234%0.34130%0.302SS..EExtended strand (participates in β ladder)trans-153.7144.4-173.1-175.1171-9.700111.2S5 W6 S435S5-Q433 CarbonylContact C-O 3.54Å; S5-Q433 WeakPolarHBondContact CA-O 3.49Å; W6-Q433 HydrophobicContact CE3-CB 4.49Å; W6-Q433 PolarHBondContact N-O 3.44Å; W6-Q433 PolarHBondContact O-N 3.36Å; W6-Q433 VanDerWaalsContact O-N 3.12Å; Q433-S435 WeakPolarHBondContact CG-OG 3.46Å; Q433-S435 PolarHBondContact NE2-OG 2.86Å
434V94.5Very high89.2Confident2 Ų258.1 Ų58.11%0.01232%0.321CS..EExtended strand (participates in β ladder)trans-122.8136.8161.4-175.10000106.8F3 V4 Q372 I381 A383 F395 L431F3-V434 HydrophobicContact CD2-CG1 4.05Å; V4-V434 CarbonylContact O-C 3.47Å; V4-V434 VanDerWaalsContact O-CA 3.29Å; V4-V434 WeakPolarHBondContact O-CA 3.3Å; Q372-V434 PolarHBondContact NE2-O 3.03Å; I381-V434 HydrophobicContact CD1-CG1 4.32Å; I381-V434 HydrophobicContact CG2-CG1 3.97Å; A383-V434 HydrophobicContact CB-CB 4.3Å; A383-V434 HydrophobicContact CB-CG2 3.86Å; F395-V434 HydrophobicContact CB-CG2 4Å; F395-V434 HydrophobicContact CD1-CG2 3.95Å; F395-V434 HydrophobicContact CG-CG2 4.03Å; L431-V434 HydrophobicContact CD1-CG2 4.11Å; L431-V434 HydrophobicContact CD2-CG2 3.9Å; L431-V434 HydrophobicContact CG-CG2 4.33Å
435S93.4Very high89.1Confident14 Ų1456.3 Ų56.310%0.09831%0.312CS..EExtended strand (participates in β ladder)trans-143.3124.6-177.3-66.30000111.5F3 V4 I38 Q433F3-S435 CarbonylContact C-O 3.28Å; F3-S435 VanDerWaalsContact CA-O 3.31Å; F3-S435 WeakPolarHBondContact CA-O 3.42Å; F3-S435 WeakPolarHBondContact CB-O 3.24Å; V4-S435 PolarHBondContact N-O 2.92Å; V4-S435 PolarHBondContact O-N 3.4Å; I38-S435 VanDerWaalsContact CD1-CB 3.43Å; Q433-S435 WeakPolarHBondContact CG-OG 3.46Å; Q433-S435 PolarHBondContact NE2-OG 2.86Å
436V92.3Very high89.1Confident12 Ų1253.8 Ų53.87%0.07329%0.289CS..EExtended strand (participates in β ladder)trans-76.1135.2174.71800000109.3F3 Q372 L374 P375 I381 F438F3-V436 HydrophobicContact CB-CG2 4.49Å; Q372-V436 HydrophobicContact CB-CG2 4.02Å; L374-V436 HydrophobicContact CD2-CG1 4.08Å; L374-V436 HydrophobicContact CD2-CG2 3.67Å; P375-V436 HydrophobicContact CG-CG1 4.06Å; I381-V436 HydrophobicContact CD1-CG2 3.71Å; I381-V436 HydrophobicContact CG1-CG2 4.19Å; V436-F438 HydrophobicContact CB-CD2 4.48Å; V436-F438 HydrophobicContact CB-CE2 4.04Å; V436-F438 HydrophobicContact CG1-CD2 4.1Å; V436-F438 HydrophobicContact CG1-CE2 3.83Å; V436-F438 HydrophobicContact CG1-CZ 4.27Å
437I88.8Confident89Confident5 Ų560.3 Ų60.33%0.02632%0.317CS..PPolyproline II helixtrans-96.7120170-51.8-173.6000107.7V2 V4 I38 M43 V58V2-I437 HydrophobicContact CG1-CD1 4.42Å; V2-I437 PolarHBondContact O-N 3.49Å; V4-I437 HydrophobicContact CG2-CD1 3.91Å; V4-I437 HydrophobicContact CG2-CG1 4.35Å; I38-I437 HydrophobicContact CG2-CG1 4.2Å; M43-I437 HydrophobicContact CE-CB 4.3Å; M43-I437 HydrophobicContact CE-CG2 3.79Å; M43-I437 HydrophobicContact SD-CB 4.43Å; M43-I437 HydrophobicContact SD-CG2 3.39Å; M43-I437 WeakPolarHBondContact SD-CG2 3.36Å; V58-I437 HydrophobicContact CB-CD1 3.86Å; V58-I437 HydrophobicContact CG1-CD1 3.49Å; V58-I437 VanDerWaalsContact CG1-CD1 3.49Å; V58-I437 HydrophobicContact CG2-CD1 3.72Å
438F86.1Confident89Confident63 Ų6358.3 Ų58.328%0.27631%0.306SS..PPolyproline II helixtrans-85.3133.9180-80.2-96.5000110.2P331 W373 P375 V436 L442P331-F438 HydrophobicContact CB-CE1 4.05Å; P331-F438 HydrophobicContact CG-CE1 3.59Å; P331-F438 HydrophobicContact CG-CZ 4.13Å; W373-F438 WeakPolarHBondContact O-CZ 3.31Å; P375-F438 HydrophobicContact CB-CD1 4.13Å; P375-F438 HydrophobicContact CB-CE1 4.26Å; P375-F438 HydrophobicContact CG-CD1 3.88Å; P375-F438 HydrophobicContact CG-CE1 4.01Å; P375-F438 HydrophobicContact CG-CG 4.38Å; V436-F438 HydrophobicContact CB-CD2 4.48Å; V436-F438 HydrophobicContact CB-CE2 4.04Å; V436-F438 HydrophobicContact CG1-CD2 4.1Å; V436-F438 HydrophobicContact CG1-CE2 3.83Å; V436-F438 HydrophobicContact CG1-CZ 4.27Å; F438-L442 HydrophobicContact CD1-CD2 4.23Å
439P82.6Confident89.1Confident55 Ų5561.3 Ų61.336%0.35732%0.316SS..PPolyproline II helixtrans-68.6157.4170.331-33.1000110P375 K441 L442P375-P439 HydrophobicContact CB-CG 4.17Å; P439-K441 WeakPolarHBondContact CG-O 3.42Å; P439-K441 PolarHBondContact O-N 3.33Å; P439-L442 HydrophobicContact CG-CD2 3.97Å
440T77.2Confident89.2Confident112 Ų11266.4 Ų66.469%0.68734%0.338SS*.SBendtrans-60.9-29.6179.6-43.30000112.7
441K81Confident89.3Confident178 Ų17869 Ų6977%0.77435%0.349SS*.SBendtrans-128.3131.4177.7-173.5178.2178.7-175.10109.1P439P439-K441 WeakPolarHBondContact CG-O 3.42Å; P439-K441 PolarHBondContact O-N 3.33Å
442L85.7Confident88.8Confident17 Ų1777.8 Ų77.89%0.08939%0.39CS..  trans-85.9154.1171.7-59.6-170.3000111.1Y278 P331 P375 F438 P439Y278-L442 HydrophobicContact CD1-CB 4.2Å; Y278-L442 HydrophobicContact CD1-CD1 3.74Å; Y278-L442 HydrophobicContact CD1-CG 3.57Å; Y278-L442 HydrophobicContact CD2-CD1 3.66Å; Y278-L442 HydrophobicContact CD2-CG 4.36Å; Y278-L442 HydrophobicContact CE1-CD1 4.28Å; Y278-L442 HydrophobicContact CE1-CG 3.93Å; Y278-L442 HydrophobicContact CE2-CD1 4.22Å; Y278-L442 HydrophobicContact CG-CB 4.49Å; Y278-L442 HydrophobicContact CG-CD1 3.38Å; Y278-L442 HydrophobicContact CG-CG 3.8Å; P331-L442 HydrophobicContact CB-CD1 3.47Å; P331-L442 VanDerWaalsContact CB-CD1 3.47Å; P375-L442 HydrophobicContact CB-CD2 3.72Å; F438-L442 HydrophobicContact CD1-CD2 4.23Å; P439-L442 HydrophobicContact CG-CD2 3.97Å
443E86.5Confident87.6Confident150 Ų15077.2 Ų77.270%0.70140%0.398SS*.  trans-68.9176.4167.9-66177.7-172.100110.7H332H332-E443 PolarHBondContact CE1-O 3.49Å; H332-E443 VanDerWaalsContact CE1-O 3.25Å
444S86.4Confident85.8Confident112 Ų11277.9 Ų77.978%0.78342%0.416SS*.PPolyproline II helixtrans-61.6143.2174.449.60000110.9
445A87.5Confident83.5Confident26 Ų2682.7 Ų82.722%0.21544%0.442CS..PPolyproline II helixtrans-58.7139.3177.600000111.2I282 H332I282-A445 HydrophobicContact CD1-CB 3.37Å; H332-A445 HydrophobicContact CB-CB 3.68Å
446P88.4Confident80.8Confident17 Ų1791 Ų9111%0.1148%0.479CS..PPolyproline II helixtrans-69.8148.4178.629.7-35.8000111.1N334 D376 E378 P448N334-P446 PolarHBondContact ND2-O 2.69Å; D376-P446 WeakPolarHBondContact O-CD 2.92Å; E378-P446 HydrophobicContact CG-CB 3.27Å; E378-P446 HydrophobicContact CG-CG 3.49Å; E378-P446 VanDerWaalsContact CG-CG 3.49Å; E378-P446 VanDerWaalsContact OE1-CB 3.31Å; E378-P446 WeakPolarHBondContact OE1-CB 3.32Å; P446-P448 WeakPolarHBondContact O-CD 3.3Å
447E89.6Confident77.9Confident155 Ų15598 Ų9872%0.72452%0.517SS*.PPolyproline II helixtrans-71.5123.9171.3-73-172.6168.300110.3K449E447-K449 PolarHBondContact O-N 2.91Å
448P91.8Very high75.3Confident48 Ų48102.1 Ų102.131%0.31255%0.546SS..PPolyproline II helixtrans-58.8128.3175.4-23.934.7000111.6L335 D353 L360 P446L335-P448 HydrophobicContact CD2-CB 4.04Å; L335-P448 HydrophobicContact CD2-CG 4.08Å; D353-P448 HydrophobicContact CB-CB 4.12Å; D353-P448 HydrophobicContact CB-CG 4.49Å; L360-P448 HydrophobicContact CD1-CB 3.8Å; L360-P448 HydrophobicContact CD2-CB 4.33Å; P446-P448 WeakPolarHBondContact O-CD 3.3Å
449K94.4Very high72.7Confident119 Ų119105.4 Ų105.452%0.51757%0.571SS.*  trans-122.6138.4175-65.2173.6-175.4168.80110.2Y400 E447 F451Y400-K449 WeakPolarHBondContact CE2-O 3.44Å; Y400-K449 WeakPolarHBondContact OH-CB 3.31Å; Y400-K449 PolarHBondContact OH-N 3Å; E447-K449 PolarHBondContact O-N 2.91Å; K449-F451 HydrophobicContact CB-CE2 3.78Å; K449-F451 HydrophobicContact CB-CZ 3.94Å; K449-F451 WeakPolarHBondContact O-CD2 3.48Å; K449-F451 VanDerWaalsContact O-CE2 3.22Å; K449-F451 WeakPolarHBondContact O-CE2 3.41Å
450K95Very high70.3Confident137 Ų137110.5 Ų110.560%0.59660%0.595SS**  trans-82.1137.7174.8-167.8175.9-170.9172.20110.2E358 L360E358-K450 WeakPolarHBondContact OE1-CD 3.28Å; E358-K450 WeakPolarHBondContact OE1-CE 3.39Å; E358-K450 IonicContact OE1-NZ 3.87Å; E358-K450 PolarHBondContact OE1-NZ 3.31Å; L360-K450 HydrophobicContact CD2-CB 4.42Å
451F94.3Very high68.2Low68 Ų68114.6 Ų114.630%0.29860%0.603SS.*  trans-125.5134.3177.5-63.9-85.7000109.7L360 H399 Y400 S401 K449L360-F451 PolarHBondContact O-N 2.96Å; L360-F451 VanDerWaalsContact O-O 3.08Å; H399-F451 AromaticContact CE1-CE2 3.71Å; H399-F451 AromaticContact CE1-CZ 3.5Å; Y400-F451 HydrophobicContact CD2-CD2 4.31Å; Y400-F451 HydrophobicContact CD2-CE2 4.15Å; Y400-F451 HydrophobicContact CE1-CE2 4.37Å; Y400-F451 AromaticContact CE2-CD2 3.81Å; Y400-F451 HydrophobicContact CE2-CD2 3.81Å; Y400-F451 AromaticContact CE2-CE2 3.39Å; Y400-F451 HydrophobicContact CE2-CE2 3.39Å; Y400-F451 AromaticContact CZ-CE2 3.53Å; S401-F451 VanDerWaalsContact CB-CG 3.4Å; K449-F451 HydrophobicContact CB-CE2 3.78Å; K449-F451 HydrophobicContact CB-CZ 3.94Å; K449-F451 WeakPolarHBondContact O-CD2 3.48Å; K449-F451 VanDerWaalsContact O-CE2 3.22Å; K449-F451 WeakPolarHBondContact O-CE2 3.41Å
452E84.2Confident66Low186 Ų186117.4 Ų117.487%0.86961%0.609SS**  trans-71.4145.5169.8-66.7-178168.700110.3A454E452-A454 PolarHBondContact O-N 3.31Å; E452-A454 VanDerWaalsContact O-N 3.12Å
453S66.9Low63.8Low72 Ų72121.2 Ų121.250%0.50364%0.643SS.*  trans-61.5115.7-178.1-71.30000111S362 N455S362-S453 PolarHBondContact O-OG 2.82Å; S362-S453 VanDerWaalsContact O-OG 3.08Å; S453-N455 PolarHBondContact O-N 3.02Å
454A54.3Low62.1Low87 Ų87119.4 Ų119.472%0.71965%0.647SS**THydrogen-bonded Turntrans-70.822.7-175.200000115.5E452E452-A454 PolarHBondContact O-N 3.31Å; E452-A454 VanDerWaalsContact O-N 3.12Å
455N46.7Very low60.2Low103 Ų103120.2 Ų120.255%0.55165%0.647SS**THydrogen-bonded Turntrans-110.58.9-166-96.8-2.7000117.2S453S453-N455 PolarHBondContact O-N 3.02Å
456E36.1Very low59Low188 Ų188126.9 Ų126.988%0.87967%0.668SS**SBendtrans-83.8-13174.4-69.7-167163.300114.8
457N32.5Very low57.6Low161 Ų161129 Ų12986%0.86168%0.68SS**  trans-112.415.2-173.7-78.3-24.9000116.5V459N457-V459 PolarHBondContact O-N 3.46Å
458S34.7Very low55.7Low91 Ų91124.1 Ų124.164%0.63666%0.662SS**SBendtrans-87.7101.7166.869.80000110.1N460S458-N460 PolarHBondContact O-N 3.42Å
459V31.1Very low54.1Low132 Ų132126.4 Ų126.480%0.868%0.677SS**  trans-37.8124.8169.3174.30000109.7N457 K461N457-V459 PolarHBondContact O-N 3.46Å; V459-K461 PolarHBondContact O-N 3.49Å
460N32Very low52.4Low162 Ų162125.8 Ų125.887%0.86668%0.683SS**  trans-42.981168.8-85.4-38.5000111.8S458 R462S458-N460 PolarHBondContact O-N 3.42Å; N460-R462 VanDerWaalsContact C-N 3.31Å; N460-R462 PolarHBondContact O-N 3.04Å
461K32.7Very low50.6Low198 Ų198121.8 Ų121.886%0.86167%0.667SS**  trans-72.198.6160.2-91.4-177.2177.1174.70104.7V459 A463V459-K461 PolarHBondContact O-N 3.49Å; K461-A463 PolarHBondContact O-N 3.2Å
462R34.2Very low49.2Very low236 Ų236125.6 Ų125.689%0.89168%0.68SS**  trans-40125.5170.3-73.9-179.9175.4174.2-1.1108.1N460 S464N460-R462 VanDerWaalsContact C-N 3.31Å; N460-R462 PolarHBondContact O-N 3.04Å; R462-S464 PolarHBondContact O-N 2.95Å
463A39.4Very low48Very low97 Ų97125 Ų12580%0.80268%0.682SS**  trans-43.4117.9175.600000108.9K461 V465K461-A463 PolarHBondContact O-N 3.2Å; A463-V465 PolarHBondContact O-N 2.98Å
464S50.8Low47.4Very low113 Ų113128.1 Ų128.179%0.7968%0.683SS**  trans-58.1123.5178.753.90000108.3R462 Y466R462-S464 PolarHBondContact O-N 2.95Å; S464-Y466 PolarHBondContact O-N 3.38Å
465V47.2Very low47.8Very low129 Ų129127.6 Ų127.678%0.78268%0.675SS**  trans-47.8125.7176.7175.30000109.1A463 V467A463-V465 PolarHBondContact O-N 2.98Å; V465-V467 PolarHBondContact O-N 3.26Å
466Y63.3Low48.7Very low166 Ų166126.5 Ų126.565%0.65168%0.679SS**  trans-57.8112.3179.2175.4-96.1000109.8S464 P468S464-Y466 PolarHBondContact O-N 3.38Å; Y466-P468 HydrophobicContact CD1-CG 4.35Å; Y466-P468 HydrophobicContact CE1-CB 4.27Å; Y466-P468 HydrophobicContact CE1-CG 4.1Å; Y466-P468 WeakPolarHBondContact O-CD 3.32Å
467V59.2Low50Low61 Ų61122.8 Ų122.837%0.3767%0.669SS.*  trans-94116.5171.4-1770000107.8V465 L471 R472V465-V467 PolarHBondContact O-N 3.26Å; V467-L471 HydrophobicContact CG1-CB 3.48Å; V467-L471 VanDerWaalsContact CG1-CB 3.48Å; V467-R472 HydrophobicContact CB-CG 4.35Å; V467-R472 HydrophobicContact CG1-CG 4.05Å; V467-R472 PolarHBondContact O-NE 2.82Å; V467-R472 PolarHBondContact O-NH2 3.49Å
468P48.9Very low51.1Low53 Ų53116.4 Ų116.434%0.34464%0.639SS.*  trans-57.8153.2177-21.530.3000111.8Y466 V470 L471Y466-P468 HydrophobicContact CD1-CG 4.35Å; Y466-P468 HydrophobicContact CE1-CB 4.27Å; Y466-P468 HydrophobicContact CE1-CG 4.1Å; Y466-P468 WeakPolarHBondContact O-CD 3.32Å; P468-V470 PolarHBondContact O-N 3.13Å; P468-L471 PolarHBondContact O-N 2.99Å
469P58.1Low52.4Low96 Ų96113.8 Ų113.862%0.62362%0.619SS**G310 helixtrans-51.8-33.2-175.9-28.234.8000114.8L471 R472P469-L471 PolarHBondContact O-N 2.95Å; P469-R472 PolarHBondContact O-N 3.13Å
470V57.9Low54.1Low106 Ų106114 Ų11464%0.64261%0.612SS**G310 helixtrans-65.8-20.9-178.9-170.50000112.8P468P468-V470 PolarHBondContact O-N 3.13Å
471L57.2Low55.4Low53 Ų53109.1 Ų109.128%0.27759%0.59SS.*G310 helixtrans-108.1-0-174.5-68.4175.5000113.9V467 P468 P469 V479 L482V467-L471 HydrophobicContact CG1-CB 3.48Å; V467-L471 VanDerWaalsContact CG1-CB 3.48Å; P468-L471 PolarHBondContact O-N 2.99Å; P469-L471 PolarHBondContact O-N 2.95Å; L471-V479 HydrophobicContact CD2-CG1 4.34Å; L471-V479 HydrophobicContact CD2-CG2 4.39Å; L471-L482 HydrophobicContact CD2-CD1 4.37Å
472R66.1Low56.6Low147 Ų147102.7 Ų102.756%0.55557%0.565SS**THydrogen-bonded Turntrans-82135176.1-63.4-176.2-172.9-173.8-0.2109.7V467 P469V467-R472 HydrophobicContact CB-CG 4.35Å; V467-R472 HydrophobicContact CG1-CG 4.05Å; V467-R472 PolarHBondContact O-NE 2.82Å; V467-R472 PolarHBondContact O-NH2 3.49Å; P469-R472 PolarHBondContact O-N 3.13Å
473N58.5Low57.8Low173 Ų17398.5 Ų98.593%0.92555%0.553SS**THydrogen-bonded Turntrans72.918-178.8-57.1-21000118
474R53.7Low58.5Low138 Ų13897.3 Ų97.352%0.52154%0.539SS..  trans-99.3143.7169.7-67.2-168.3-179.2-155.80.3111A478 V479R474-A478 HydrophobicContact CB-CB 4.1Å; R474-V479 HydrophobicContact CB-CG2 4.19Å
475S62.8Low58.4Low77 Ų7795.3 Ų95.354%0.53853%0.525SS..  trans-60.1153.5175.769.50000110.8V477 A478 V479S475-V477 PolarHBondContact O-N 3.27Å; S475-A478 PolarHBondContact O-N 2.56Å; S475-V479 PolarHBondContact O-N 2.96Å
476A66.2Low58.4Low79 Ų7996 Ų9665%0.65352%0.524SS*.Hα-helixtrans-53.5-32.9-179.200000113V479 Q480A476-V479 PolarHBondContact O-N 3.1Å; A476-Q480 PolarHBondContact O-N 2.78Å
477V62.8Low57.4Low110 Ų11096.2 Ų96.267%0.66753%0.533SS*.Hα-helixtrans-66.5-41.4176.3-177.40000111.9S475 V479 Q480 S481S475-V477 PolarHBondContact O-N 3.27Å; V477-V479 VanDerWaalsContact C-N 3.33Å; V477-V479 PolarHBondContact O-N 2.93Å; V477-Q480 PolarHBondContact O-N 3.46Å; V477-S481 PolarHBondContact O-N 3.45Å; V477-S481 VanDerWaalsContact O-N 3.16Å
478A57.2Low56.4Low27 Ų27100.3 Ų100.322%0.22355%0.551CS.*Hα-helixtrans-73.7-22.317900000113.4R474 S475 S481R474-A478 HydrophobicContact CB-CB 4.1Å; S475-A478 PolarHBondContact O-N 2.56Å; A478-S481 PolarHBondContact O-OG 3.24Å
479V61.6Low55.6Low37 Ų37104.8 Ų104.822%0.22457%0.572CS.*Hα-helixtrans-77.5-33172.7177.40000111.1L471 R474 S475 A476 V477L471-V479 HydrophobicContact CD2-CG1 4.34Å; L471-V479 HydrophobicContact CD2-CG2 4.39Å; R474-V479 HydrophobicContact CB-CG2 4.19Å; S475-V479 PolarHBondContact O-N 2.96Å; A476-V479 PolarHBondContact O-N 3.1Å; V477-V479 VanDerWaalsContact C-N 3.33Å; V477-V479 PolarHBondContact O-N 2.93Å
480Q65.7Low54.4Low137 Ų137110 Ų11064%0.6459%0.588SS**Hα-helixtrans-71.9-39175.7-80.7176.5-23.100112.6A476 V477 L482 K483 S484A476-Q480 PolarHBondContact O-N 2.78Å; V477-Q480 PolarHBondContact O-N 3.46Å; Q480-L482 PolarHBondContact O-N 3.39Å; Q480-K483 PolarHBondContact O-N 3.12Å; Q480-S484 PolarHBondContact O-N 3.25Å; Q480-S484 VanDerWaalsContact O-N 3.13Å; Q480-S484 PolarHBondContact O-OG 3.12Å; Q480-S484 VanDerWaalsContact O-OG 3.13Å
481S61.1Low53.2Low59 Ų59108.6 Ų108.641%0.41360%0.595SS.*Hα-helixtrans-65.3-34.5-179.962.90000113.7V477 A478 S484 S485V477-S481 PolarHBondContact O-N 3.45Å; V477-S481 VanDerWaalsContact O-N 3.16Å; A478-S481 PolarHBondContact O-OG 3.24Å; S481-S484 WeakPolarHBondContact CA-OG 3.28Å; S481-S484 PolarHBondContact O-N 2.84Å; S481-S484 PolarHBondContact O-OG 3.32Å; S481-S485 PolarHBondContact O-N 3.34Å; S481-S485 VanDerWaalsContact O-N 3.07Å; S481-S485 PolarHBondContact O-OG 2.83Å
482L57.6Low52.2Low62 Ų62115.6 Ų115.633%0.32562%0.624SS.*Hα-helixtrans-71.9-30.9174.8-81.1162.5000112.8L471 Q480 N486L471-L482 HydrophobicContact CD2-CD1 4.37Å; Q480-L482 PolarHBondContact O-N 3.39Å; L482-N486 PolarHBondContact O-N 3.3Å
483K57.8Low50.5Low148 Ų148115.9 Ų115.964%0.64364%0.635SS**Hα-helixtrans-70.7-35.1174.2-78.7-176.4175.9-176.60112.2Q480Q480-K483 PolarHBondContact O-N 3.12Å
484S54.1Low49.3Very low72 Ų72112.4 Ų112.450%0.50362%0.624SS.*Hα-helixtrans-76.5-27.7175.442.50000113.3Q480 S481 N486 M487Q480-S484 PolarHBondContact O-N 3.25Å; Q480-S484 VanDerWaalsContact O-N 3.13Å; Q480-S484 PolarHBondContact O-OG 3.12Å; Q480-S484 VanDerWaalsContact O-OG 3.13Å; S481-S484 WeakPolarHBondContact CA-OG 3.28Å; S481-S484 PolarHBondContact O-N 2.84Å; S481-S484 PolarHBondContact O-OG 3.32Å; S484-N486 VanDerWaalsContact C-N 3.32Å; S484-N486 PolarHBondContact O-N 3.11Å; S484-M487 PolarHBondContact O-N 2.65Å
485S50.1Low48.4Very low71 Ų71111.5 Ų111.550%0.49763%0.633SS.*Hα-helixtrans-66.9-32176.5-53.80000112.9S481 M487S481-S485 PolarHBondContact O-N 3.34Å; S481-S485 VanDerWaalsContact O-N 3.07Å; S481-S485 PolarHBondContact O-OG 2.83Å; S485-M487 VanDerWaalsContact C-N 3.29Å; S485-M487 PolarHBondContact O-N 3.07Å
486N46.2Very low46.9Very low144 Ų144116.6 Ų116.677%0.7765%0.649SS**THydrogen-bonded Turntrans-84.14.7-179.9-74.7-2.7000114.2L482 S484L482-N486 PolarHBondContact O-N 3.3Å; S484-N486 VanDerWaalsContact C-N 3.32Å; S484-N486 PolarHBondContact O-N 3.11Å
487M42.8Very low45.3Very low171 Ų171117.7 Ų117.784%0.84265%0.652SS**THydrogen-bonded Turntrans-102.17173.4-60.8-153.396.200113.3S484 S485S484-M487 PolarHBondContact O-N 2.65Å; S485-M487 VanDerWaalsContact C-N 3.29Å; S485-M487 PolarHBondContact O-N 3.07Å
488I38.5Very low43.8Very low146 Ų146118.1 Ų118.175%0.74965%0.654SS**SBendtrans-120.362.8176.5-47.2176.9000108.6
489D31.7Very low42.4Very low147 Ų147123.8 Ų123.879%0.78668%0.681SS**  trans-159.575.6158-138.4-3.9000110.8
490H33.8Very low41Very low205 Ų205128.8 Ų128.895%0.94971%0.706SS**  trans-172.4101.6153.5-92-43.9000108.8
491G32.7Very low39.3Very low78 Ų78128.7 Ų128.780%0.80471%0.71SS**  trans170.683.5172.200000114
492K34.6Very low37.9Very low200 Ų200133.1 Ų133.187%0.8773%0.729SS**  trans-57.6133.6165.6-75.6173.5172.1176.50111.1
493I31.4Very low36.6Very low153 Ų153134.4 Ų134.479%0.78574%0.743SS**  trans45.2106.5130.7-56.6164.9000117.8
494S33.9Very low35.2Very low99 Ų99134.1 Ų134.169%0.69275%0.749SS**  142.2113.2119.173.70000116.1
495T32.8Very low34.2Very low119 Ų119138.4 Ų138.473%0.7376%0.764SS**  trans55.1117132.760.20000123.7
496H33.1Very low33.3Very low185 Ų185138 Ų13886%0.85677%0.771SS**  trans72.8127.6134.3-80.1-63.5000124.3
497S31.1Very low32.4Very low102 Ų102140.9 Ų140.971%0.71378%0.777SS**  trans89.399.2135.8-172.90000119.4
498V31Very low31.9Very low119 Ų119141.3 Ų141.372%0.72178%0.782SS**  94.9121.890.4169.70000115
499N29.2Very low31.5Very low146 Ų146141.8 Ų141.878%0.78179%0.786SS**  trans55.1147.5156.4-69.1-6.6000118.7
500N30.9Very low31.8Very low141 Ų141140.6 Ų140.675%0.75479%0.786SS**  cis-163.7167.324.2-140.3-7.1000110.7
501N30.2Very low31.8Very low136 Ų136136 Ų13673%0.72778%0.777SS**  trans-53.8146.1177-63.9-38.4000116.1
502N31.9Very low31.5Very low151 Ų151141.7 Ų141.781%0.80778%0.779SS**  161.4133.995.1-114.1-7.5000115.3
503S31.3Very low31.4Very low90 Ų90138.3 Ų138.363%0.62978%0.775SS**  trans47.7121.914366.60000124.1
504N28.5Very low31.2Very low142 Ų142139.2 Ų139.276%0.75978%0.78SS**  105.6131.2114.8-93.5-2.7000122.6
505I33Very low31.1Very low161 Ų161138.2 Ų138.283%0.82679%0.785SS**  trans74.4133.4147.5-57.9155000115.2
506G30.3Very low31Very low62 Ų62137.6 Ų137.664%0.63979%0.786SS**  cis148.4121.77.600000108.7
507K28.3Very low30.6Very low206 Ų206135.9 Ų135.990%0.89678%0.783SS**  trans57.1126159.5-66.5178.6177.9176.40120.2
508L31.5Very low30.8Very low180 Ų180140.1 Ų140.194%0.94279%0.791SS**  -169.7144115-98.5153.7000112.4
509N31.3Very low30.5Very low156 Ų156143.8 Ų143.883%0.83480%0.798SS**  trans-78.1167-174.3-87.8-24.4000114
510P36.8Very low30.5Very low122 Ų122143.4 Ų143.479%0.79280%0.801SS**  trans-101.2152.5-178.338.3-31.1000114.1
511S33.4Very low30.2Very low107 Ų107143.3 Ų143.375%0.74881%0.806SS**  trans-156.6112.4165.452.10000110.3
512K28Very low30.2Very low199 Ų199144.9 Ų144.987%0.86581%0.813SS**  64115.4104-78.9-172.4177.9179.10116.3
513T31.6Very low30Very low128 Ų128142.4 Ų142.479%0.78581%0.807SS**  175.9119123.723.70000109.5
514I27.9Very low29.7Very low172 Ų172143 Ų14388%0.88281%0.812SS**  64.3119.899.4-59.8176.6000114.3
515G31Very low29.6Very low78 Ų78144.3 Ų144.380%0.80482%0.818SS**  trans174.4110165.400000112.9
516S30Very low29.2Very low106 Ų106145.2 Ų145.274%0.74182%0.819SS**  trans-83.4154.6-173.854.90000115.2
517N26.5Very low29.1Very low150 Ų150148 Ų14880%0.80283%0.829SS**  trans48.3116.4143.1-69.7-14.6000120.3
518H34.2Very low28.9Very low190 Ų190142.9 Ų142.988%0.8883%0.825SS**  trans-146.5126.4130.1-114.6-72000111.5
519K25.5Very low28.8Very low197 Ų197142 Ų14286%0.85782%0.82SS**  trans-68.4138.2161.9-84.2172.7169.8175.10109.2
520T28.7Very low28.6Very low137 Ų137140.7 Ų140.784%0.8482%0.818SS**  trans-143.3109.9149.418.90000108.9
521T25.1Very low28Very low140 Ų140139 Ų13986%0.85982%0.823SS**  trans-66.6129.9157.136.70000109.3
522L29.9Very low27.7Very low169 Ų169137.8 Ų137.889%0.88583%0.827SS**  trans-135142.4156.3-98162.8000109.1
523S28.3Very low27.5Very low98 Ų98134.1 Ų134.169%0.68582%0.822SS**  trans-76.6156-16443.80000115
524S24.4Very low27.3Very low103 Ų103138.7 Ų138.772%0.7283%0.826SS**  trans-15.6137.6149.350.90000118.1
525N26.8Very low27.4Very low169 Ų169136.6 Ų136.690%0.90482%0.824SS**  trans-143.7119.8138.3-100.7-10.5000109.4
526E23.8Very low27.3Very low181 Ų181137.1 Ų137.185%0.84682%0.821SS**  trans-83.8145.3153.5-77.4179137.900108.6
527S27.4Very low27.1Very low121 Ų121137.8 Ų137.885%0.84683%0.825SS**  trans163.2117.6130.2-69.60000112.7
528A25.3Very low27.2Very low97 Ų97139.5 Ų139.580%0.80283%0.826SS**  trans3142152.200000122.1
529L29.6Very low26.7Very low162 Ų162137.9 Ų137.985%0.84882%0.824SS**  -163.7114.1127.4-98.7161000111.6
530T25.5Very low26.8Very low129 Ų129135.4 Ų135.479%0.79182%0.82SS**  trans14.8138.7141.958.10000123.4
531G24.7Very low26.7Very low87 Ų87138.3 Ų138.390%0.89782%0.824SS**  trans129.9115130.700000116.6
532G27.5Very low26.7Very low81 Ų81136 Ų13684%0.83581%0.813SS**  trans155.383.7164.500000116.2
533T23.8Very low26.7Very low122 Ų122132.6 Ų132.675%0.74881%0.808SS**  trans-56.5142.216329.40000113.8
534Y27.3Very low27.3Very low224 Ų224133 Ų13388%0.87880%0.799SS**  173.2130.8124.1-85.4-65.1000109.9
535P29.8Very low27.9Very low127 Ų127132.7 Ų132.783%0.82580%0.795SS**  trans-97.3135.3164.334.2-24.5000110
536A29.6Very low28.6Very low90 Ų90130.6 Ų130.674%0.74479%0.788SS**  trans-133.3114.4167.400000109.9
537S25Very low29.5Very low120 Ų120123.5 Ų123.584%0.83976%0.761SS**  trans-55.8123.7172.4-430000110.9
538F27.9Very low30.6Very low185 Ų185124 Ų12481%0.81176%0.764SS**  trans-107.8101.1159.4-98.2-85000108.6N540F538-N540 PolarHBondContact O-N 2.74Å
539N25.3Very low31.8Very low157 Ų157123.6 Ų123.684%0.8475%0.748SS**  trans-65.9112.4153.7-83.6-13.3000107
540N26.9Very low33.4Very low144 Ų144120.9 Ų120.977%0.7774%0.741SS**  trans-122.699.7156.7-103.8-9.5000107F538 C542F538-N540 PolarHBondContact O-N 2.74Å; N540-C542 PolarHBondContact O-N 3.27Å; N540-C542 VanDerWaalsContact O-N 3.07Å
541E25.6Very low35Very low198 Ų198123.2 Ų123.293%0.92574%0.74SS**  trans-61.2102.2160.4-76.9178.4143.900107.7
542C25.6Very low37.4Very low93 Ų93122.7 Ų122.763%0.62872%0.717SS**  trans-91.5110.1168.6-142.70000107.6N540 H544N540-C542 PolarHBondContact O-N 3.27Å; N540-C542 VanDerWaalsContact O-N 3.07Å; C542-H544 PolarHBondContact O-N 3.13Å
543A30.7Very low39.9Very low96 Ų96121.1 Ų121.179%0.79369%0.687SS**PPolyproline II helixtrans-51.4122176.300000111
544H40.5Very low42.6Very low106 Ų106123.3 Ų123.349%0.49169%0.686SS.*PPolyproline II helixtrans-79.5132.9176.2-72.4-77.3000110.7C542 V546 Y560C542-H544 PolarHBondContact O-N 3.13Å; H544-V546 PolarHBondContact O-N 3Å; H544-Y560 AromaticContact CE1-CD1 3.62Å; H544-Y560 AromaticContact CE1-CD2 3.68Å; H544-Y560 AromaticContact CE1-CE1 3.36Å; H544-Y560 WeakPolarHBondContact CE1-CE1 3.47Å; H544-Y560 AromaticContact CE1-CE2 3.42Å; H544-Y560 VanDerWaalsContact CE1-CE2 3.42Å; H544-Y560 WeakPolarHBondContact CE1-CE2 3.46Å; H544-Y560 AromaticContact CE1-CG 3.76Å; H544-Y560 AromaticContact CE1-CZ 3.23Å; H544-Y560 AromaticContact ND1-CD2 3.63Å; H544-Y560 AromaticContact ND1-CE2 3.24Å; H544-Y560 WeakPolarHBondContact ND1-CE2 3.38Å; H544-Y560 AromaticContact ND1-CZ 3.46Å
545P37.8Very low45.1Very low97 Ų97118.5 Ų118.563%0.6367%0.672SS**PPolyproline II helixtrans-69.6120170.227.4-29.4000109A547P545-A547 PolarHBondContact O-N 3.01Å
546V39.9Very low47.8Very low125 Ų125114.6 Ų114.676%0.75865%0.646SS**PPolyproline II helixtrans-77.4118.3172.9-179.70000107.7H544H544-V546 PolarHBondContact O-N 3Å
547A42.9Very low50.5Low33 Ų33114.5 Ų114.527%0.27363%0.633SS.*PPolyproline II helixtrans-77.8138.7172.500000109.2P545 D549 N552P545-A547 PolarHBondContact O-N 3.01Å; A547-D549 PolarHBondContact O-N 3.22Å; A547-N552 HydrophobicContact CB-CB 3.97Å
548S51.8Low53.5Low132 Ų132115.1 Ų115.192%0.92362%0.623SS**SBendtrans-68.51-174.946.30000115.5
549D49.2Very low56.4Low87 Ų87111.3 Ų111.347%0.46561%0.609SS.*SBendtrans-135.4124.4-174.6-155.8-20.8000111.4A547 K551 N552 Q553A547-D549 PolarHBondContact O-N 3.22Å; D549-K551 PolarHBondContact O-N 2.9Å; D549-K551 VanDerWaalsContact O-N 3.09Å; D549-N552 PolarHBondContact O-N 3.34Å; D549-Q553 PolarHBondContact O-N 3.21Å
550P63.4Low59.4Low106 Ų106108 Ų10869%0.68859%0.586SS**Hα-helixtrans-57.4-28.1-172.3-26.533.2000115.5
551K60.1Low62.5Low177 Ų177108.9 Ų108.977%0.7758%0.583SS**Hα-helixtrans-69.7-36.1176.4-85.8-178.7176.8174.20112.2D549D549-K551 PolarHBondContact O-N 2.9Å; D549-K551 VanDerWaalsContact O-N 3.09Å
552N74.9Confident65.6Low77 Ų77106.3 Ų106.341%0.41257%0.568SS.*Hα-helixtrans-72-33179-71.3-19.3000111.4A547 D549 K554 Q555 V556A547-N552 HydrophobicContact CB-CB 3.97Å; D549-N552 PolarHBondContact O-N 3.34Å; N552-K554 VanDerWaalsContact C-N 3.29Å; N552-K554 PolarHBondContact O-N 2.87Å; N552-Q555 PolarHBondContact O-N 3.01Å; N552-Q555 VanDerWaalsContact O-N 3.15Å; N552-V556 WeakPolarHBondContact O-CG2 3.3Å; N552-V556 PolarHBondContact O-N 3.39Å
553Q80Confident68.7Low47 Ų47106.4 Ų106.422%0.2256%0.562CS.*Hα-helixtrans-61.1-35.8178.6-157.167.422.500112.8D549 V556 N557D549-Q553 PolarHBondContact O-N 3.21Å; Q553-V556 PolarHBondContact O-N 3.41Å; Q553-N557 WeakPolarHBondContact O-CB 3.22Å; Q553-N557 PolarHBondContact O-N 2.98Å; Q553-N557 PolarHBondContact O-ND2 2.88Å
554K80Confident71.5Confident168 Ų168105.6 Ų105.673%0.7355%0.548SS*.Hα-helixtrans-65-42.2175.2-83.1-174.7176.8178.10112.4N552 N557 Q558N552-K554 VanDerWaalsContact C-N 3.29Å; N552-K554 PolarHBondContact O-N 2.87Å; K554-N557 PolarHBondContact O-N 2.76Å; K554-Q558 PolarHBondContact O-N 2.7Å
555Q80.8Confident73.9Confident123 Ų123107 Ų10758%0.57555%0.554SS**Hα-helixtrans-66.1-43.7176.9-102.7178-1400111.6N552 N557 Q558 I559N552-Q555 PolarHBondContact O-N 3.01Å; N552-Q555 VanDerWaalsContact O-N 3.15Å; Q555-N557 VanDerWaalsContact C-N 3.34Å; Q555-N557 PolarHBondContact O-N 3.24Å; Q555-Q558 WeakPolarHBondContact O-CB 3.34Å; Q555-Q558 PolarHBondContact O-N 2.72Å; Q555-Q558 VanDerWaalsContact O-N 3.14Å; Q555-I559 WeakPolarHBondContact O-CG1 3.38Å; Q555-I559 PolarHBondContact O-N 2.83Å
556V85Confident76.4Confident46 Ų46106.6 Ų106.628%0.27955%0.546SS..Hα-helixtrans-57.3-47.6175.3172.30000110.6N552 Q553 Q558 I559 Y560N552-V556 WeakPolarHBondContact O-CG2 3.3Å; N552-V556 PolarHBondContact O-N 3.39Å; Q553-V556 PolarHBondContact O-N 3.41Å; V556-Q558 VanDerWaalsContact C-N 3.3Å; V556-Q558 PolarHBondContact O-N 3.48Å; V556-I559 PolarHBondContact O-N 2.94Å; V556-Y560 PolarHBondContact O-N 2.92Å
557N86.4Confident78.7Confident88 Ų88107 Ų10747%0.47154%0.54SS..Hα-helixtrans-63.4-34.9177.7-70.4-10.6000112.8Q553 K554 Q555 K561Q553-N557 WeakPolarHBondContact O-CB 3.22Å; Q553-N557 PolarHBondContact O-N 2.98Å; Q553-N557 PolarHBondContact O-ND2 2.88Å; K554-N557 PolarHBondContact O-N 2.76Å; Q555-N557 VanDerWaalsContact C-N 3.34Å; Q555-N557 PolarHBondContact O-N 3.24Å; N557-K561 PolarHBondContact O-N 3.43Å
558Q87.8Confident81Confident133 Ų133111.6 Ų111.662%0.62155%0.554SS**Hα-helixtrans-68.6-41.2176.6-122.8176400112.2K554 Q555 V556 K562K554-Q558 PolarHBondContact O-N 2.7Å; Q555-Q558 WeakPolarHBondContact O-CB 3.34Å; Q555-Q558 PolarHBondContact O-N 2.72Å; Q555-Q558 VanDerWaalsContact O-N 3.14Å; V556-Q558 VanDerWaalsContact C-N 3.3Å; V556-Q558 PolarHBondContact O-N 3.48Å; Q558-K562 PolarHBondContact O-N 3.35Å
559I89.4Confident82.7Confident104 Ų104109.3 Ų109.353%0.53353%0.53SS..Hα-helixtrans-65.1-44.2175.4-68.1169.6000109.9Q555 V556 K561 K562 L563Q555-I559 WeakPolarHBondContact O-CG1 3.38Å; Q555-I559 PolarHBondContact O-N 2.83Å; V556-I559 PolarHBondContact O-N 2.94Å; I559-K561 PolarHBondContact O-N 2.9Å; I559-K562 PolarHBondContact O-N 3.41Å; I559-K562 VanDerWaalsContact O-N 3.16Å; I559-L563 HydrophobicContact CG2-CD1 4.03Å; I559-L563 PolarHBondContact O-N 3.34Å
560Y88Confident84.6Confident88 Ų88111.8 Ų111.835%0.34554%0.537SS..Hα-helixtrans-59.5-46.7177.8-125.1-77.7000111.5H544 V556 K562 L563 T564H544-Y560 AromaticContact CE1-CD1 3.62Å; H544-Y560 AromaticContact CE1-CD2 3.68Å; H544-Y560 AromaticContact CE1-CE1 3.36Å; H544-Y560 WeakPolarHBondContact CE1-CE1 3.47Å; H544-Y560 AromaticContact CE1-CE2 3.42Å; H544-Y560 VanDerWaalsContact CE1-CE2 3.42Å; H544-Y560 WeakPolarHBondContact CE1-CE2 3.46Å; H544-Y560 AromaticContact CE1-CG 3.76Å; H544-Y560 AromaticContact CE1-CZ 3.23Å; H544-Y560 AromaticContact ND1-CD2 3.63Å; H544-Y560 AromaticContact ND1-CE2 3.24Å; H544-Y560 WeakPolarHBondContact ND1-CE2 3.38Å; H544-Y560 AromaticContact ND1-CZ 3.46Å; V556-Y560 PolarHBondContact O-N 2.92Å; Y560-K562 VanDerWaalsContact C-N 3.29Å; Y560-K562 PolarHBondContact O-N 3.44Å; Y560-L563 PolarHBondContact O-N 3.36Å; Y560-L563 VanDerWaalsContact O-N 3.13Å; Y560-T564 PolarHBondContact O-N 3.07Å; Y560-T564 PolarHBondContact O-OG1 3.35Å
561K91.9Very high85.8Confident162 Ų162111.1 Ų111.170%0.70453%0.531SS*.Hα-helixtrans-55.6-42.2175.1-107.2-177.4175.6179.80112.9N557 I559 Q565N557-K561 PolarHBondContact O-N 3.43Å; I559-K561 PolarHBondContact O-N 2.9Å; K561-Q565 PolarHBondContact O-N 3.23Å; K561-Q565 VanDerWaalsContact O-N 3.13Å
562K91.4Very high87.2Confident144 Ų144105.4 Ų105.463%0.62651%0.507SS*.Hα-helixtrans-67.3-41.1177.6-74.3-171.6176.9-172.30112Q558 I559 Y560 Q565 I566Q558-K562 PolarHBondContact O-N 3.35Å; I559-K562 PolarHBondContact O-N 3.41Å; I559-K562 VanDerWaalsContact O-N 3.16Å; Y560-K562 VanDerWaalsContact C-N 3.29Å; Y560-K562 PolarHBondContact O-N 3.44Å; K562-Q565 PolarHBondContact O-N 2.63Å; K562-I566 WeakPolarHBondContact O-CG1 3.3Å; K562-I566 VanDerWaalsContact O-CG1 3.3Å; K562-I566 PolarHBondContact O-N 3.23Å
563L90.3Very high87.7Confident95 Ų95108.2 Ų108.250%0.49752%0.518SS..Hα-helixtrans-61.5-44.2176.6-79.4166.1000111.6I559 Y560 Q565 I566 E567I559-L563 HydrophobicContact CG2-CD1 4.03Å; I559-L563 PolarHBondContact O-N 3.34Å; Y560-L563 PolarHBondContact O-N 3.36Å; Y560-L563 VanDerWaalsContact O-N 3.13Å; L563-Q565 VanDerWaalsContact C-N 3.29Å; L563-Q565 PolarHBondContact O-N 3.02Å; L563-I566 PolarHBondContact O-N 3.18Å; L563-E567 PolarHBondContact O-N 3.18Å
564T90.9Very high88Confident80 Ų80110.3 Ų110.349%0.49154%0.543SS..Hα-helixtrans-63.9-36.3176.9-26.60000111.8Y560 E567 K568Y560-T564 PolarHBondContact O-N 3.07Å; Y560-T564 PolarHBondContact O-OG1 3.35Å; T564-E567 PolarHBondContact O-N 3.03Å; T564-K568 WeakPolarHBondContact O-CB 3.34Å; T564-K568 PolarHBondContact O-N 3.07Å
565Q90.4Very high88.3Confident134 Ų134106.4 Ų106.463%0.62654%0.537SS*.Hα-helixtrans-66.7-39.1176-129.9171.1-0.600112K561 K562 L563 K568 L569K561-Q565 PolarHBondContact O-N 3.23Å; K561-Q565 VanDerWaalsContact O-N 3.13Å; K562-Q565 PolarHBondContact O-N 2.63Å; L563-Q565 VanDerWaalsContact C-N 3.29Å; L563-Q565 PolarHBondContact O-N 3.02Å; Q565-K568 PolarHBondContact O-N 2.85Å; Q565-L569 WeakPolarHBondContact O-CG 3.29Å; Q565-L569 PolarHBondContact O-N 3.22Å
566I89.7Confident88.3Confident89 Ų89103.8 Ų103.846%0.45654%0.543SS..Hα-helixtrans-66.9-42.8176-68.9165.1000111.1K562 L563 K568 L569 K570K562-I566 WeakPolarHBondContact O-CG1 3.3Å; K562-I566 VanDerWaalsContact O-CG1 3.3Å; K562-I566 PolarHBondContact O-N 3.23Å; L563-I566 PolarHBondContact O-N 3.18Å; I566-K568 VanDerWaalsContact C-N 3.31Å; I566-K568 PolarHBondContact O-N 3.03Å; I566-L569 PolarHBondContact O-N 3.43Å; I566-K570 PolarHBondContact O-N 3.19Å
567E89.3Confident87.6Confident135 Ų135108.3 Ų108.363%0.63156%0.559SS**Hα-helixtrans-61.9-39.9175.3-95.6-177.7157.700112.3L563 T564 K570 T571L563-E567 PolarHBondContact O-N 3.18Å; T564-E567 PolarHBondContact O-N 3.03Å; E567-K570 PolarHBondContact O-N 3.44Å; E567-T571 PolarHBondContact O-N 3.15Å; E567-T571 PolarHBondContact O-OG1 2.93Å
568K89.5Confident86.6Confident129 Ų129109.9 Ų109.956%0.56158%0.577SS**Hα-helixtrans-64-42.5175.8-161.6-180-179.9-174.90112T564 Q565 I566 T571 E572T564-K568 WeakPolarHBondContact O-CB 3.34Å; T564-K568 PolarHBondContact O-N 3.07Å; Q565-K568 PolarHBondContact O-N 2.85Å; I566-K568 VanDerWaalsContact C-N 3.31Å; I566-K568 PolarHBondContact O-N 3.03Å; K568-T571 WeakPolarHBondContact CA-OG1 3.44Å; K568-T571 PolarHBondContact O-N 2.95Å; K568-T571 PolarHBondContact O-OG1 3.02Å; K568-E572 WeakPolarHBondContact O-CB 3.4Å; K568-E572 WeakPolarHBondContact O-CG 3.43Å; K568-E572 PolarHBondContact O-N 3.07Å
569L88.9Confident85.9Confident83 Ų83106.4 Ų106.444%0.43556%0.562SS.*Hα-helixtrans-64.9-39.2175-73.6168.8000112Q565 I566 T571 E572 Q573 L579Q565-L569 WeakPolarHBondContact O-CG 3.29Å; Q565-L569 PolarHBondContact O-N 3.22Å; I566-L569 PolarHBondContact O-N 3.43Å; L569-T571 PolarHBondContact O-N 3.47Å; L569-E572 PolarHBondContact O-N 3.38Å; L569-Q573 PolarHBondContact O-N 3.07Å; L569-Q573 WeakPolarHBondContact O-CB 3.4Å; L569-Q573 VanDerWaalsContact O-CB 3.31Å; L569-L579 HydrophobicContact CD2-CD1 4.17Å; L569-L579 HydrophobicContact CD2-CD2 3.49Å; L569-L579 VanDerWaalsContact CD2-CD2 3.49Å; L569-L579 HydrophobicContact CD2-CG 4.45Å
570K88.8Confident84.9Confident140 Ų140106.4 Ų106.461%0.60958%0.578SS**Hα-helixtrans-63.7-38.8175.1-80.5-175.6174.8-177.40112.5I566 E567 A574I566-K570 PolarHBondContact O-N 3.19Å; E567-K570 PolarHBondContact O-N 3.44Å; K570-A574 VanDerWaalsContact O-CB 3.3Å; K570-A574 WeakPolarHBondContact O-CB 3.4Å; K570-A574 PolarHBondContact O-N 3.49Å
571T88.6Confident83.1Confident91 Ų91116.6 Ų116.656%0.55862%0.618SS**Hα-helixtrans-72.6-36.9176.729.70000112.3E567 K568 L569 A574 S575E567-T571 PolarHBondContact O-N 3.15Å; E567-T571 PolarHBondContact O-OG1 2.93Å; K568-T571 WeakPolarHBondContact CA-OG1 3.44Å; K568-T571 PolarHBondContact O-N 2.95Å; K568-T571 PolarHBondContact O-OG1 3.02Å; L569-T571 PolarHBondContact O-N 3.47Å; T571-A574 PolarHBondContact O-N 3.13Å; T571-S575 WeakPolarHBondContact O-CB 3.48Å; T571-S575 PolarHBondContact O-N 3.19Å; T571-S575 PolarHBondContact O-OG 2.66Å
572E88.9Confident82.6Confident57 Ų57114.4 Ų114.427%0.26661%0.614SS.*Hα-helixtrans-65.4-39.8172.1-74.6176.6-179.500111.7K568 L569 S575 G576 K577 L579K568-E572 WeakPolarHBondContact O-CB 3.4Å; K568-E572 WeakPolarHBondContact O-CG 3.43Å; K568-E572 PolarHBondContact O-N 3.07Å; L569-E572 PolarHBondContact O-N 3.38Å; E572-S575 PolarHBondContact O-OG 3.46Å; E572-S575 PolarHBondContact O-N 3.41Å; E572-S575 WeakPolarHBondContact CA-OG 3.4Å; E572-G576 PolarHBondContact O-N 3.5Å; E572-K577 PolarHBondContact O-N 3.33Å; E572-K577 VanDerWaalsContact O-N 3.14Å; E572-L579 HydrophobicContact CB-CD2 4.15Å
573Q86.1Confident82.2Confident137 Ų137112.8 Ų112.864%0.6461%0.613SS**Hα-helixtrans-65.3-42.9174-168.717911.500111.9L569 S575 G576 L579L569-Q573 PolarHBondContact O-N 3.07Å; L569-Q573 WeakPolarHBondContact O-CB 3.4Å; L569-Q573 VanDerWaalsContact O-CB 3.31Å; Q573-S575 VanDerWaalsContact C-N 3.27Å; Q573-S575 PolarHBondContact O-N 3Å; Q573-G576 PolarHBondContact O-N 3.23Å; Q573-L579 HydrophobicContact CB-CD1 4.11Å
574A85.3Confident81.7Confident90 Ų90113.8 Ų113.874%0.74462%0.619SS**Hα-helixtrans-68.1-24.517800000113.4K570 T571 G576K570-A574 VanDerWaalsContact O-CB 3.3Å; K570-A574 WeakPolarHBondContact O-CB 3.4Å; K570-A574 PolarHBondContact O-N 3.49Å; T571-A574 PolarHBondContact O-N 3.13Å; A574-G576 VanDerWaalsContact C-N 3.31Å
575S86.6Confident81.2Confident86 Ų86115.8 Ų115.860%0.60163%0.627SS**THydrogen-bonded Turntrans-88.26.1175.453.80000113.8T571 E572 Q573 K577T571-S575 WeakPolarHBondContact O-CB 3.48Å; T571-S575 PolarHBondContact O-N 3.19Å; T571-S575 PolarHBondContact O-OG 2.66Å; E572-S575 PolarHBondContact O-OG 3.46Å; E572-S575 PolarHBondContact O-N 3.41Å; E572-S575 WeakPolarHBondContact CA-OG 3.4Å; Q573-S575 VanDerWaalsContact C-N 3.27Å; Q573-S575 PolarHBondContact O-N 3Å; S575-K577 VanDerWaalsContact C-N 3.33Å; S575-K577 PolarHBondContact O-N 3.42Å
576G80.7Confident80.6Confident69 Ų69114.6 Ų114.671%0.71163%0.627SS**THydrogen-bonded Turntrans77.413175.100000114.7E572 Q573 A574E572-G576 PolarHBondContact O-N 3.5Å; Q573-G576 PolarHBondContact O-N 3.23Å; A574-G576 VanDerWaalsContact C-N 3.31Å
577K71.6Confident80Confident141 Ų141116.3 Ų116.361%0.61364%0.638SS**PPolyproline II helixtrans-73.3129.5173.2-92.7179.6174.1177.40110.5E572 S575 L579E572-K577 PolarHBondContact O-N 3.33Å; E572-K577 VanDerWaalsContact O-N 3.14Å; S575-K577 VanDerWaalsContact C-N 3.33Å; S575-K577 PolarHBondContact O-N 3.42Å; K577-L579 PolarHBondContact O-N 3.16Å
578S63.8Low79.3Confident121 Ų121115 Ų11585%0.84664%0.639SS**PPolyproline II helixtrans-62.6117.2168170.80000109.4
579L74.6Confident78.6Confident60 Ų60113.9 Ų113.931%0.31465%0.645SS.*PPolyproline II helixtrans-85.6128.6174.1-70.3169000108.9L569 E572 Q573 K577 Y581L569-L579 HydrophobicContact CD2-CD1 4.17Å; L569-L579 HydrophobicContact CD2-CD2 3.49Å; L569-L579 VanDerWaalsContact CD2-CD2 3.49Å; L569-L579 HydrophobicContact CD2-CG 4.45Å; E572-L579 HydrophobicContact CB-CD2 4.15Å; Q573-L579 HydrophobicContact CB-CD1 4.11Å; K577-L579 PolarHBondContact O-N 3.16Å; L579-Y581 PolarHBondContact O-N 3.13Å
580A67.1Low77.7Confident104 Ų104116.5 Ų116.586%0.8666%0.662SS**PPolyproline II helixtrans-68.6126.5172.100000109.2
581Y50.3Low76.7Confident302 Ų302114.4 Ų114.4100%1.18467%0.667SS**  trans-70.70-179.3-96.5-88.6000113.1L579L579-Y581 PolarHBondContact O-N 3.13Å

Retrieved 581 of 581 residues in 1167.8 ms (Link to these results)

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