A0A3Q0KVL1_SCHMA Loading...

Williams-beuren syndrome critical region protein, putative

AlphaFold DB , UniProt , Accession A0A3Q0KVL1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 602 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
1M58.4Low83.3Confident177 Ų17770.8 Ų70.887%0.87237%0.365SS*.  0-63.20-75.3-160.986.500114.2D4 L5M1-D4 WeakPolarHBondContact CA-OD2 3.09Å; M1-D4 PolarHBondContact N-OD2 3.43Å; M1-D4 PolarHBondContact O-N 3.18Å; M1-L5 PolarHBondContact O-N 2.8Å; M1-L5 VanDerWaalsContact O-N 3.11Å
2K62.9Low84.2Confident151 Ų15164.9 Ų64.966%0.65733%0.334SS*.Hα-helixtrans-61.2-44.8-178.7-75.1-173.9179.9179.20112.5L5 S6K2-L5 PolarHBondContact O-N 3.12Å; K2-S6 PolarHBondContact O-N 2.83Å
3N75Confident84.9Confident126 Ų12659.9 Ų59.967%0.67431%0.309SS*.Hα-helixtrans-62.3-46.9177.1-69.64.5000111.8L5 S6 I7N3-L5 VanDerWaalsContact C-N 3.31Å; N3-L5 PolarHBondContact O-N 2.71Å; N3-S6 WeakPolarHBondContact O-CB 3.39Å; N3-S6 PolarHBondContact O-N 3.23Å; N3-S6 VanDerWaalsContact O-N 3.15Å; N3-I7 WeakPolarHBondContact O-CG1 3.46Å; N3-I7 PolarHBondContact O-N 2.81Å
4D84Confident85.5Confident99 Ų9958.3 Ų58.353%0.52930%0.297SS..Hα-helixtrans-60.5-39-179.6-42.5-47.2000112.7M1 L8M1-D4 WeakPolarHBondContact CA-OD2 3.09Å; M1-D4 PolarHBondContact N-OD2 3.43Å; M1-D4 PolarHBondContact O-N 3.18Å; D4-L8 WeakPolarHBondContact O-CB 3.48Å; D4-L8 PolarHBondContact O-N 3Å; D4-L8 VanDerWaalsContact O-N 3.13Å
5L87Confident85.9Confident41 Ų4154.4 Ų54.422%0.21528%0.277CS..Hα-helixtrans-66.7-48.2175.1-74.5171.4000110.7M1 K2 N3 I7 L8 Y9 F113M1-L5 PolarHBondContact O-N 2.8Å; M1-L5 VanDerWaalsContact O-N 3.11Å; K2-L5 PolarHBondContact O-N 3.12Å; N3-L5 VanDerWaalsContact C-N 3.31Å; N3-L5 PolarHBondContact O-N 2.71Å; L5-I7 VanDerWaalsContact C-N 3.29Å; L5-I7 PolarHBondContact O-N 2.89Å; L5-L8 WeakPolarHBondContact O-CB 3.31Å; L5-L8 PolarHBondContact O-N 3.31Å; L5-L8 VanDerWaalsContact O-N 3.11Å; L5-Y9 HydrophobicContact CB-CD2 4.38Å; L5-Y9 HydrophobicContact CB-CE2 4.26Å; L5-Y9 HydrophobicContact CD2-CE2 4.16Å; L5-Y9 WeakPolarHBondContact O-CD2 3.5Å; L5-Y9 PolarHBondContact O-N 3.06Å; L5-F113 HydrophobicContact CB-CD1 4.17Å; L5-F113 HydrophobicContact CB-CD2 4.36Å; L5-F113 HydrophobicContact CB-CE1 4.07Å; L5-F113 HydrophobicContact CB-CE2 4.24Å; L5-F113 HydrophobicContact CB-CG 4.34Å; L5-F113 HydrophobicContact CB-CZ 4.1Å; L5-F113 HydrophobicContact CD1-CB 4.23Å; L5-F113 HydrophobicContact CD1-CD1 4.42Å; L5-F113 HydrophobicContact CD1-CG 4.12Å
6S87Confident86.2Confident42 Ų4251 Ų5129%0.29426%0.26SS..Hα-helixtrans-54.4-45.7179.4-171.40000112.3K2 N3 Y9 T10K2-S6 PolarHBondContact O-N 2.83Å; N3-S6 WeakPolarHBondContact O-CB 3.39Å; N3-S6 PolarHBondContact O-N 3.23Å; N3-S6 VanDerWaalsContact O-N 3.15Å; S6-Y9 PolarHBondContact O-N 3.37Å; S6-T10 WeakPolarHBondContact O-CB 3.48Å; S6-T10 PolarHBondContact O-N 2.8Å; S6-T10 PolarHBondContact O-OG1 2.98Å
7I90.6Very high86.4Confident69 Ų6948 Ų4835%0.35424%0.244SC..Hα-helixtrans-62.6-47.5176.9-61.6165.4000110.5N3 L5 Y9 T10 E11 T36 C37N3-I7 WeakPolarHBondContact O-CG1 3.46Å; N3-I7 PolarHBondContact O-N 2.81Å; L5-I7 VanDerWaalsContact C-N 3.29Å; L5-I7 PolarHBondContact O-N 2.89Å; I7-Y9 PolarHBondContact O-N 3.01Å; I7-T10 PolarHBondContact O-N 2.88Å; I7-E11 HydrophobicContact CG2-CG 4.2Å; I7-E11 WeakPolarHBondContact O-CB 3.23Å; I7-E11 WeakPolarHBondContact O-CG 3.24Å; I7-E11 PolarHBondContact O-N 3.26Å; I7-T36 VanDerWaalsContact CG2-OG1 3.23Å; I7-T36 WeakPolarHBondContact CG2-OG1 3.46Å; I7-C37 VanDerWaalsContact CG2-SG 3.59Å
8L91.7Very high86.4Confident26 Ų2645.6 Ų45.614%0.13623%0.232CC..Hα-helixtrans-57.6-45.5179175.364.5000112.8D4 L5 A12 C37 K41 I42 L45D4-L8 WeakPolarHBondContact O-CB 3.48Å; D4-L8 PolarHBondContact O-N 3Å; D4-L8 VanDerWaalsContact O-N 3.13Å; L5-L8 WeakPolarHBondContact O-CB 3.31Å; L5-L8 PolarHBondContact O-N 3.31Å; L5-L8 VanDerWaalsContact O-N 3.11Å; L8-A12 VanDerWaalsContact O-CB 3.3Å; L8-A12 WeakPolarHBondContact O-CB 3.49Å; L8-A12 PolarHBondContact O-N 2.9Å; L8-C37 HydrophobicContact CD1-CB 4.16Å; L8-K41 HydrophobicContact CD1-CB 3.84Å; L8-K41 HydrophobicContact CD2-CB 4.45Å; L8-I42 HydrophobicContact CD1-CG1 3.8Å; L8-L45 HydrophobicContact CG-CD2 4.44Å
9Y93.2Very high86.2Confident2 Ų243.9 Ų43.91%0.00822%0.224CC..Hα-helixtrans-66.6-39178.6-76.3-76.8000111.6L5 S6 I7 A13 L45 V97 L98 D101 S110 F113 L114L5-Y9 HydrophobicContact CB-CD2 4.38Å; L5-Y9 HydrophobicContact CB-CE2 4.26Å; L5-Y9 HydrophobicContact CD2-CE2 4.16Å; L5-Y9 WeakPolarHBondContact O-CD2 3.5Å; L5-Y9 PolarHBondContact O-N 3.06Å; S6-Y9 PolarHBondContact O-N 3.37Å; I7-Y9 PolarHBondContact O-N 3.01Å; Y9-A13 WeakPolarHBondContact O-CB 3.29Å; Y9-A13 PolarHBondContact O-N 3.2Å; Y9-L45 HydrophobicContact CD1-CD2 3.88Å; Y9-L45 HydrophobicContact CE1-CD2 3.93Å; Y9-V97 HydrophobicContact CD1-CG1 3.8Å; Y9-V97 HydrophobicContact CE1-CG1 4.43Å; Y9-L98 HydrophobicContact CD1-CD2 3.75Å; Y9-L98 HydrophobicContact CD2-CD2 4.4Å; Y9-L98 HydrophobicContact CE1-CD2 4.24Å; Y9-L98 HydrophobicContact CG-CD2 3.88Å; Y9-D101 HydrophobicContact CE1-CB 3.76Å; Y9-D101 PolarHBondContact OH-OD2 3.18Å; Y9-S110 PolarHBondContact OH-OG 2.92Å; Y9-S110 VanDerWaalsContact OH-OG 3.12Å; Y9-F113 HydrophobicContact CD2-CD1 4.15Å; Y9-F113 AromaticContact CD2-CE1 3.45Å; Y9-F113 HydrophobicContact CD2-CE1 3.45Å; Y9-F113 VanDerWaalsContact CD2-CE1 3.45Å; Y9-F113 HydrophobicContact CD2-CZ 4.31Å; Y9-F113 AromaticContact CE2-CD1 3.85Å; Y9-F113 HydrophobicContact CE2-CD1 3.85Å; Y9-F113 AromaticContact CE2-CE1 3.64Å; Y9-F113 HydrophobicContact CE2-CE1 3.64Å; Y9-F113 HydrophobicContact CG-CE1 4.42Å; Y9-L114 HydrophobicContact CE1-CD2 3.74Å; Y9-L114 HydrophobicContact CE2-CD2 4.24Å
10T92.8Very high86Confident40 Ų4043.1 Ų43.125%0.24522%0.219CC..Hα-helixtrans-66-45.9178.2-57.90000111.5S6 I7 A13 Y14S6-T10 WeakPolarHBondContact O-CB 3.48Å; S6-T10 PolarHBondContact O-N 2.8Å; S6-T10 PolarHBondContact O-OG1 2.98Å; I7-T10 PolarHBondContact O-N 2.88Å; T10-A13 WeakPolarHBondContact O-CB 3.45Å; T10-A13 PolarHBondContact O-N 2.79Å; T10-Y14 WeakPolarHBondContact O-CB 3.5Å; T10-Y14 PolarHBondContact O-N 2.75Å
11E93.8Very high85.6Confident6 Ų641.8 Ų41.83%0.02822%0.216CC..Hα-helixtrans-66.7-41178-75.7-173.1169.600112.5I7 A13 Y14 L15 F35 T36 C37 I42 V87I7-E11 HydrophobicContact CG2-CG 4.2Å; I7-E11 WeakPolarHBondContact O-CB 3.23Å; I7-E11 WeakPolarHBondContact O-CG 3.24Å; I7-E11 PolarHBondContact O-N 3.26Å; E11-A13 VanDerWaalsContact C-N 3.33Å; E11-A13 PolarHBondContact O-N 2.56Å; E11-Y14 PolarHBondContact O-N 3Å; E11-L15 PolarHBondContact O-N 2.81Å; E11-F35 HydrophobicContact CB-CD1 3.82Å; E11-F35 HydrophobicContact CB-CE1 4.26Å; E11-F35 HydrophobicContact CG-CD1 3.99Å; E11-T36 WeakPolarHBondContact OE1-CB 3.48Å; E11-T36 PolarHBondContact OE1-N 2.83Å; E11-T36 PolarHBondContact OE1-OG1 2.8Å; E11-T36 PolarHBondContact OE2-N 3.47Å; E11-C37 WeakPolarHBondContact OE2-CB 3.49Å; E11-C37 PolarHBondContact OE2-N 2.79Å; E11-I42 HydrophobicContact CB-CD1 4.18Å; E11-I42 HydrophobicContact CB-CG1 4.41Å; E11-I42 WeakPolarHBondContact OE2-CD1 3.2Å; E11-V87 HydrophobicContact CG-CG1 4.41Å
12A93.7Very high86.3Confident0 Ų039.1 Ų39.10%020%0.202CC..Hα-helixtrans-62.9-41.6173.100000111.4L8 L15 V16 I42 L45 A46 V97L8-A12 VanDerWaalsContact O-CB 3.3Å; L8-A12 WeakPolarHBondContact O-CB 3.49Å; L8-A12 PolarHBondContact O-N 2.9Å; A12-L15 PolarHBondContact O-N 2.92Å; A12-V16 VanDerWaalsContact O-CG2 3.31Å; A12-V16 WeakPolarHBondContact O-CG2 3.48Å; A12-V16 PolarHBondContact O-N 3.33Å; A12-I42 HydrophobicContact CB-CG2 4.44Å; A12-L45 HydrophobicContact CB-CB 4.15Å; A12-L45 HydrophobicContact CB-CD2 3.75Å; A12-L45 HydrophobicContact CB-CG 3.9Å; A12-A46 HydrophobicContact CB-CB 4.48Å; A12-V97 HydrophobicContact CB-CG1 4.11Å
13A93.9Very high86.7Confident0 Ų034.4 Ų34.40%019%0.186CC..Hα-helixtrans-65.8-37.7176.900000112.9Y9 T10 E11 L15 V16 C17 S89 C93 Y94 V97Y9-A13 WeakPolarHBondContact O-CB 3.29Å; Y9-A13 PolarHBondContact O-N 3.2Å; T10-A13 WeakPolarHBondContact O-CB 3.45Å; T10-A13 PolarHBondContact O-N 2.79Å; E11-A13 VanDerWaalsContact C-N 3.33Å; E11-A13 PolarHBondContact O-N 2.56Å; A13-L15 VanDerWaalsContact C-N 3.33Å; A13-V16 PolarHBondContact O-N 3.43Å; A13-C17 VanDerWaalsContact O-CB 3.3Å; A13-C17 WeakPolarHBondContact O-CB 3.25Å; A13-C17 PolarHBondContact O-N 3.29Å; A13-S89 WeakPolarHBondContact CB-OG 3.46Å; A13-C93 HydrophobicContact CB-CB 4.49Å; A13-C93 WeakPolarHBondContact O-CB 3.5Å; A13-Y94 VanDerWaalsContact CB-CA 3.42Å; A13-Y94 HydrophobicContact CB-CD2 4.01Å; A13-V97 HydrophobicContact CB-CG2 4.05Å
14Y93.6Very high86.5Confident37 Ų3729.5 Ų29.515%0.14516%0.161CC..Hα-helixtrans-60.5-46.9173.7176-108.7000110.8T10 E11 V16 C17 L18 H33 F35 L74 V87 H88 S89T10-Y14 WeakPolarHBondContact O-CB 3.5Å; T10-Y14 PolarHBondContact O-N 2.75Å; E11-Y14 PolarHBondContact O-N 3Å; Y14-V16 PolarHBondContact O-N 3.33Å; Y14-C17 WeakPolarHBondContact O-CA 3.5Å; Y14-C17 WeakPolarHBondContact O-CB 3.46Å; Y14-C17 PolarHBondContact O-N 3Å; Y14-C17 VanDerWaalsContact O-N 3.07Å; Y14-L18 HydrophobicContact CD1-CD1 3.92Å; Y14-L18 HydrophobicContact CD1-CG 4.4Å; Y14-L18 HydrophobicContact CE1-CD1 3.47Å; Y14-L18 VanDerWaalsContact CE1-CD1 3.47Å; Y14-L18 HydrophobicContact CE1-CG 4.1Å; Y14-L18 HydrophobicContact CE2-CD2 4.35Å; Y14-L18 HydrophobicContact CE2-CG 4.39Å; Y14-L18 WeakPolarHBondContact O-CG 3.41Å; Y14-L18 PolarHBondContact O-N 2.86Å; Y14-H33 HydrophobicContact CE1-CB 4.16Å; Y14-H33 AromaticContact CE1-CG 3.96Å; Y14-H33 AromaticContact CE1-ND1 3.65Å; Y14-H33 AromaticContact CZ-ND1 3.76Å; Y14-H33 PolarHBondContact OH-CE1 3.47Å; Y14-H33 PolarHBondContact OH-ND1 3.04Å; Y14-F35 HydrophobicContact CD1-CE1 4Å; Y14-F35 HydrophobicContact CD1-CZ 4.26Å; Y14-L74 HydrophobicContact CD2-CD1 3.69Å; Y14-L74 HydrophobicContact CE2-CD1 3.4Å; Y14-L74 VanDerWaalsContact CE2-CD1 3.4Å; Y14-V87 HydrophobicContact CD1-CG1 3.54Å; Y14-V87 HydrophobicContact CD2-CG1 3.79Å; Y14-V87 HydrophobicContact CE1-CG1 4.18Å; Y14-V87 HydrophobicContact CE2-CG1 4.4Å; Y14-V87 HydrophobicContact CG-CG1 3.3Å; Y14-H88 WeakPolarHBondContact CD2-O 2.99Å; Y14-S89 VanDerWaalsContact CA-CB 3.43Å; Y14-S89 VanDerWaalsContact N-CB 3.27Å
15L90.9Very high86.1Confident0 Ų029.6 Ų29.60%015%0.154CC..Hα-helixtrans-63.3-40.4177.5-173.959.2000112.3E11 A12 A13 C17 V19 L26 L30 F35 I42 A46E11-L15 PolarHBondContact O-N 2.81Å; A12-L15 PolarHBondContact O-N 2.92Å; A13-L15 VanDerWaalsContact C-N 3.33Å; L15-C17 VanDerWaalsContact C-N 3.32Å; L15-C17 PolarHBondContact O-N 3.49Å; L15-V19 WeakPolarHBondContact O-CG2 3.44Å; L15-V19 PolarHBondContact O-N 3.35Å; L15-L26 HydrophobicContact CD1-CD1 4.08Å; L15-L26 HydrophobicContact CD2-CD1 3.46Å; L15-L26 VanDerWaalsContact CD2-CD1 3.46Å; L15-L26 HydrophobicContact CG-CD1 3.48Å; L15-L26 VanDerWaalsContact CG-CD1 3.48Å; L15-L30 HydrophobicContact CD2-CB 4.26Å; L15-L30 HydrophobicContact CD2-CD1 3.77Å; L15-F35 HydrophobicContact CB-CE1 4.38Å; L15-F35 HydrophobicContact CB-CZ 4.19Å; L15-F35 HydrophobicContact CD1-CZ 4.13Å; L15-F35 HydrophobicContact CG-CZ 4.5Å; L15-I42 HydrophobicContact CD2-CG2 3.93Å; L15-A46 HydrophobicContact CB-CB 4.32Å; L15-A46 HydrophobicContact CD2-CB 3.96Å; L15-A46 HydrophobicContact CG-CB 4.25Å
16V90.6Very high85.8Confident0 Ų027.7 Ų27.70%014%0.144CC..Hα-helixtrans-60.6-41.7171.2172.10000111.2A12 A13 Y14 V19 K20 A46 T49 L50 Y53 C93 V97A12-V16 VanDerWaalsContact O-CG2 3.31Å; A12-V16 WeakPolarHBondContact O-CG2 3.48Å; A12-V16 PolarHBondContact O-N 3.33Å; A13-V16 PolarHBondContact O-N 3.43Å; Y14-V16 PolarHBondContact O-N 3.33Å; V16-V19 PolarHBondContact O-N 3.13Å; V16-K20 HydrophobicContact CG1-CG 4.38Å; V16-K20 WeakPolarHBondContact O-CG 3.45Å; V16-K20 PolarHBondContact O-N 3.22Å; V16-A46 HydrophobicContact CG2-CB 3.89Å; V16-T49 HydrophobicContact CG2-CG2 4.32Å; V16-L50 HydrophobicContact CB-CD2 4.45Å; V16-L50 HydrophobicContact CG1-CD2 3.91Å; V16-L50 HydrophobicContact CG1-CG 4.5Å; V16-L50 HydrophobicContact CG2-CD2 4.41Å; V16-L50 HydrophobicContact CG2-CG 4.16Å; V16-Y53 HydrophobicContact CG1-CE2 4.28Å; V16-C93 HydrophobicContact CB-CB 4.42Å; V16-C93 HydrophobicContact CG1-CB 4.14Å; V16-V97 HydrophobicContact CG2-CG2 3.97Å
17C89.6Confident85.3Confident0 Ų031.2 Ų31.20%015%0.154CC..Hα-helixtrans-65.5-43.2-179.4-166.20000112.1A13 Y14 L15 V19 K20 G21 L74 C93A13-C17 VanDerWaalsContact O-CB 3.3Å; A13-C17 WeakPolarHBondContact O-CB 3.25Å; A13-C17 PolarHBondContact O-N 3.29Å; Y14-C17 WeakPolarHBondContact O-CA 3.5Å; Y14-C17 WeakPolarHBondContact O-CB 3.46Å; Y14-C17 PolarHBondContact O-N 3Å; Y14-C17 VanDerWaalsContact O-N 3.07Å; L15-C17 VanDerWaalsContact C-N 3.32Å; L15-C17 PolarHBondContact O-N 3.49Å; C17-V19 VanDerWaalsContact C-N 3.31Å; C17-V19 PolarHBondContact O-N 3.34Å; C17-K20 PolarHBondContact O-N 3.48Å; C17-G21 PolarHBondContact O-N 2.91Å; C17-L74 HydrophobicContact CB-CD1 4.38Å; C17-L74 PolarHBondContact SG-N 3.42Å; C17-L74 VanDerWaalsContact SG-N 3.42Å; C17-C93 VanDerWaalsContact CA-SG 3.56Å; C17-C93 HydrophobicContact CB-CB 4.04Å
18L86Confident84.4Confident5 Ų530.9 Ų30.93%0.02616%0.155CC..Hα-helixtrans-59-43.1174.4-70.7176.3000111.9Y14 Q22 V23 L74Y14-L18 HydrophobicContact CD1-CD1 3.92Å; Y14-L18 HydrophobicContact CD1-CG 4.4Å; Y14-L18 HydrophobicContact CE1-CD1 3.47Å; Y14-L18 VanDerWaalsContact CE1-CD1 3.47Å; Y14-L18 HydrophobicContact CE1-CG 4.1Å; Y14-L18 HydrophobicContact CE2-CD2 4.35Å; Y14-L18 HydrophobicContact CE2-CG 4.39Å; Y14-L18 WeakPolarHBondContact O-CG 3.41Å; Y14-L18 PolarHBondContact O-N 2.86Å; L18-Q22 PolarHBondContact O-N 2.83Å; L18-V23 HydrophobicContact CB-CB 4.41Å; L18-V23 HydrophobicContact CD2-CB 4.02Å; L18-V23 HydrophobicContact CD2-CG1 4Å; L18-V23 HydrophobicContact CD2-CG2 4.11Å; L18-V23 WeakPolarHBondContact O-CB 3.42Å; L18-V23 PolarHBondContact O-N 2.95Å; L18-L74 HydrophobicContact CD2-CB 4.42Å; L18-L74 HydrophobicContact CD2-CD1 3.86Å; L18-L74 HydrophobicContact CG-CD1 4.37Å
19V83.5Confident83.8Confident13 Ų1329.7 Ų29.78%0.07915%0.149CC..Hα-helixtrans-65.8-50.8179168.80000111.1L15 V16 C17 G21 Q22 L26 L50 D375L15-V19 WeakPolarHBondContact O-CG2 3.44Å; L15-V19 PolarHBondContact O-N 3.35Å; V16-V19 PolarHBondContact O-N 3.13Å; C17-V19 VanDerWaalsContact C-N 3.31Å; C17-V19 PolarHBondContact O-N 3.34Å; V19-G21 VanDerWaalsContact C-N 3.29Å; V19-G21 PolarHBondContact O-N 3.35Å; V19-Q22 PolarHBondContact O-N 2.97Å; V19-L26 HydrophobicContact CG2-CB 3.98Å; V19-L26 HydrophobicContact CG2-CD1 4.15Å; V19-L50 HydrophobicContact CB-CD1 4.29Å; V19-L50 HydrophobicContact CB-CD2 4.26Å; V19-L50 HydrophobicContact CG1-CD1 4.01Å; V19-L50 HydrophobicContact CG1-CD2 3.82Å; V19-L50 HydrophobicContact CG2-CD1 4.25Å; V19-D375 HydrophobicContact CG1-CB 3.36Å; V19-D375 HydrophobicContact CG2-CB 4.33Å
20K82.6Confident83.4Confident27 Ų2729.9 Ų29.912%0.11715%0.15CC..Hα-helixtrans-69.6-27.8-179.3-68.5-63.3178.8-172.60113.5V16 C17 Q22 L50 Y53 E379V16-K20 HydrophobicContact CG1-CG 4.38Å; V16-K20 WeakPolarHBondContact O-CG 3.45Å; V16-K20 PolarHBondContact O-N 3.22Å; C17-K20 PolarHBondContact O-N 3.48Å; K20-Q22 PolarHBondContact O-N 3.16Å; K20-L50 HydrophobicContact CD-CD2 4.29Å; K20-L50 VanDerWaalsContact CE-CD2 3.45Å; K20-L50 HydrophobicContact CG-CD2 4.17Å; K20-Y53 HydrophobicContact CD-CD1 4.33Å; K20-Y53 HydrophobicContact CD-CD2 4.33Å; K20-Y53 HydrophobicContact CD-CE1 3.96Å; K20-Y53 HydrophobicContact CD-CE2 3.96Å; K20-Y53 HydrophobicContact CD-CG 4.49Å; K20-Y53 VanDerWaalsContact CE-CE2 3.47Å; K20-Y53 HydrophobicContact CG-CD2 4.39Å; K20-Y53 HydrophobicContact CG-CE1 4.47Å; K20-Y53 HydrophobicContact CG-CE2 3.72Å; K20-E379 WeakPolarHBondContact CD-OE2 3.39Å; K20-E379 WeakPolarHBondContact CE-OE2 3.33Å; K20-E379 IonicContact NZ-OE1 3.24Å; K20-E379 PolarHBondContact NZ-OE1 2.87Å; K20-E379 IonicContact NZ-OE2 2.68Å; K20-E379 PolarHBondContact NZ-OE2 2.95Å
21G77.6Confident82.7Confident16 Ų1635.6 Ų35.617%0.16517%0.168CC..THydrogen-bonded Turntrans-78.23.6170.400000114.7C17 V19 V23 L74C17-G21 PolarHBondContact O-N 2.91Å; V19-G21 VanDerWaalsContact C-N 3.29Å; V19-G21 PolarHBondContact O-N 3.35Å; G21-V23 PolarHBondContact O-N 2.97Å; G21-V23 VanDerWaalsContact O-N 3.15Å; G21-L74 WeakPolarHBondContact CA-O 3.48Å
22Q71.8Confident81.7Confident121 Ų12139.3 Ų39.357%0.56519%0.192SC*.THydrogen-bonded Turntrans56.825.9180-56.9-179.9-23.600113.8L18 V19 K20L18-Q22 PolarHBondContact O-N 2.83Å; V19-Q22 PolarHBondContact O-N 2.97Å; K20-Q22 PolarHBondContact O-N 3.16Å
23V71.8Confident81.1Confident52 Ų5241.9 Ų41.932%0.31520%0.204SC..SBendtrans-71.2-44177.1-176.60000110L18 G21 L74L18-V23 HydrophobicContact CB-CB 4.41Å; L18-V23 HydrophobicContact CD2-CB 4.02Å; L18-V23 HydrophobicContact CD2-CG1 4Å; L18-V23 HydrophobicContact CD2-CG2 4.11Å; L18-V23 WeakPolarHBondContact O-CB 3.42Å; L18-V23 PolarHBondContact O-N 2.95Å; G21-V23 PolarHBondContact O-N 2.97Å; G21-V23 VanDerWaalsContact O-N 3.15Å; V23-L74 HydrophobicContact CG2-CB 4.4Å; V23-L74 WeakPolarHBondContact CG2-O 3.32Å
24C70.6Confident80.4Confident24 Ų2448.4 Ų48.416%0.16224%0.239CC..SBendtrans-158.8164.8179.962.80000111.7T28 G29C24-T28 HydrophobicContact CB-CG2 4.11Å; C24-G29 WeakPolarHBondContact SG-CA 3.23Å
25R75.9Confident80.1Confident101 Ų10148 Ų4838%0.38124%0.238SC..  trans-72.9156.5168.8-71.9-172.7176.4167.6-3.2110.9K27 T28 G29 D375R25-K27 PolarHBondContact O-N 3.05Å; R25-T28 WeakPolarHBondContact O-CA 3.42Å; R25-T28 WeakPolarHBondContact O-CB 3.36Å; R25-T28 PolarHBondContact O-N 3.2Å; R25-G29 PolarHBondContact O-N 3.21Å; R25-D375 WeakPolarHBondContact CA-OD2 3.36Å; R25-D375 WeakPolarHBondContact CB-OD2 3.15Å
26L80.4Confident79.9Confident1 Ų153.4 Ų53.41%0.00527%0.271CS..Hα-helixtrans-53.8-48.1-173.5179.564.8000113L15 V19 L30 Y43 A46 L50 P374 D375L15-L26 HydrophobicContact CD1-CD1 4.08Å; L15-L26 HydrophobicContact CD2-CD1 3.46Å; L15-L26 VanDerWaalsContact CD2-CD1 3.46Å; L15-L26 HydrophobicContact CG-CD1 3.48Å; L15-L26 VanDerWaalsContact CG-CD1 3.48Å; V19-L26 HydrophobicContact CG2-CB 3.98Å; V19-L26 HydrophobicContact CG2-CD1 4.15Å; L26-L30 WeakPolarHBondContact O-CB 3.33Å; L26-L30 PolarHBondContact O-N 2.91Å; L26-Y43 HydrophobicContact CD2-CD2 3.82Å; L26-Y43 HydrophobicContact CD2-CE2 3.38Å; L26-Y43 HydrophobicContact CG-CD2 3.91Å; L26-Y43 HydrophobicContact CG-CE2 3.67Å; L26-A46 HydrophobicContact CD1-CB 4.01Å; L26-L50 HydrophobicContact CD1-CD1 3.85Å; L26-L50 HydrophobicContact CD2-CD1 4.1Å; L26-L50 HydrophobicContact CG-CD1 4.38Å; L26-P374 HydrophobicContact CD2-CG 3.5Å; L26-P374 VanDerWaalsContact CD2-CG 3.5Å; L26-D375 HydrophobicContact CB-CB 3.96Å; L26-D375 PolarHBondContact N-OD2 3.35Å
27K76.5Confident79.8Confident116 Ų11654.8 Ų54.850%0.50428%0.28SS..Hα-helixtrans-67.9-38.7178.5-73.8-174.1178.5179.20112R25 L30 Y31 Y43R25-K27 PolarHBondContact O-N 3.05Å; K27-L30 PolarHBondContact O-N 2.92Å; K27-Y31 WeakPolarHBondContact O-CD2 3.46Å; K27-Y31 PolarHBondContact O-N 3.02Å; K27-Y43 HydrophobicContact CG-CE2 3.84Å
28T71.5Confident79.6Confident62 Ų6259 Ų5938%0.3830%0.303SS..Hα-helixtrans-61-52.1176.6-57.50000109.3C24 R25 L30 Y31 T32C24-T28 HydrophobicContact CB-CG2 4.11Å; R25-T28 WeakPolarHBondContact O-CA 3.42Å; R25-T28 WeakPolarHBondContact O-CB 3.36Å; R25-T28 PolarHBondContact O-N 3.2Å; T28-L30 VanDerWaalsContact C-N 3.31Å; T28-L30 PolarHBondContact O-N 3.04Å; T28-Y31 PolarHBondContact O-N 3.17Å; T28-T32 HydrophobicContact CG2-CG2 3.86Å; T28-T32 WeakPolarHBondContact O-CB 3.42Å; T28-T32 WeakPolarHBondContact O-CG2 3.11Å; T28-T32 PolarHBondContact O-N 2.96Å; T28-T32 PolarHBondContact O-OG1 3.38Å
29G80.3Confident79.7Confident0 Ų062 Ų620%032%0.318CS..Hα-helixtrans-55.3-44.2177.700000113.2C24 R25 Y31 T32 H33 F35C24-G29 WeakPolarHBondContact SG-CA 3.23Å; R25-G29 PolarHBondContact O-N 3.21Å; G29-Y31 VanDerWaalsContact C-N 3.25Å; G29-Y31 PolarHBondContact O-N 3.38Å; G29-T32 PolarHBondContact O-N 3.23Å; G29-H33 PolarHBondContact O-CD2 2.95Å; G29-H33 PolarHBondContact O-N 2.84Å; G29-F35 WeakPolarHBondContact O-CE2 3.27Å
30L84.1Confident79.6Confident7 Ų769.6 Ų69.64%0.03735%0.345CS..Hα-helixtrans-58.2-34.8178.3-17075.5000113.2L15 L26 K27 T28 F35 L39 I42 Y43L15-L30 HydrophobicContact CD2-CB 4.26Å; L15-L30 HydrophobicContact CD2-CD1 3.77Å; L26-L30 WeakPolarHBondContact O-CB 3.33Å; L26-L30 PolarHBondContact O-N 2.91Å; K27-L30 PolarHBondContact O-N 2.92Å; T28-L30 VanDerWaalsContact C-N 3.31Å; T28-L30 PolarHBondContact O-N 3.04Å; L30-F35 HydrophobicContact CD1-CD2 4.5Å; L30-F35 HydrophobicContact CD1-CE2 4.4Å; L30-F35 WeakPolarHBondContact O-CE2 3.23Å; L30-L39 HydrophobicContact CD1-CB 4.3Å; L30-L39 HydrophobicContact CD1-CD2 4.11Å; L30-L39 HydrophobicContact CD2-CB 4.43Å; L30-L39 HydrophobicContact CG-CB 4.45Å; L30-L39 HydrophobicContact CG-CD2 4.36Å; L30-I42 HydrophobicContact CD1-CB 4.29Å; L30-I42 HydrophobicContact CD1-CG2 4.14Å; L30-Y43 HydrophobicContact CD2-CD2 3.83Å; L30-Y43 HydrophobicContact CD2-CG 4.11Å
31Y77.4Confident79.9Confident159 Ų15974.7 Ų74.762%0.62437%0.368SS*.Hα-helixtrans-102.2-14.7-174.9-68.7-62.4000114.4K27 T28 G29K27-Y31 WeakPolarHBondContact O-CD2 3.46Å; K27-Y31 PolarHBondContact O-N 3.02Å; T28-Y31 PolarHBondContact O-N 3.17Å; G29-Y31 VanDerWaalsContact C-N 3.25Å; G29-Y31 PolarHBondContact O-N 3.38Å
32T73Confident80.5Confident85 Ų8574 Ų7452%0.52136%0.36SS..Hα-helixtrans-97.8-19.717957.90000113.3T28 G29T28-T32 HydrophobicContact CG2-CG2 3.86Å; T28-T32 WeakPolarHBondContact O-CB 3.42Å; T28-T32 WeakPolarHBondContact O-CG2 3.11Å; T28-T32 PolarHBondContact O-N 2.96Å; T28-T32 PolarHBondContact O-OG1 3.38Å; G29-T32 PolarHBondContact O-N 3.23Å
33H80.9Confident81.3Confident54 Ų5471 Ų7125%0.2534%0.344CS..SBendtrans-103.5150.6177.5-66-100000111.1Y14 G29 F35Y14-H33 HydrophobicContact CE1-CB 4.16Å; Y14-H33 AromaticContact CE1-CG 3.96Å; Y14-H33 AromaticContact CE1-ND1 3.65Å; Y14-H33 AromaticContact CZ-ND1 3.76Å; Y14-H33 PolarHBondContact OH-CE1 3.47Å; Y14-H33 PolarHBondContact OH-ND1 3.04Å; G29-H33 PolarHBondContact O-CD2 2.95Å; G29-H33 PolarHBondContact O-N 2.84Å; H33-F35 HydrophobicContact CB-CE2 3.83Å; H33-F35 HydrophobicContact CB-CZ 4.04Å; H33-F35 WeakPolarHBondContact O-CD2 3.32Å; H33-F35 PolarHBondContact O-N 3.18Å
34N80.8Confident82Confident137 Ų13770.4 Ų70.473%0.73335%0.345SS*.  trans-82.6116.8178.2-67-28.6000109.5
35F86.4Confident83Confident29 Ų2969.9 Ų69.913%0.12734%0.34CS..  trans-113.6141.9173.3-62.9-78.7000109.7E11 Y14 L15 G29 L30 H33 L39 I42E11-F35 HydrophobicContact CB-CD1 3.82Å; E11-F35 HydrophobicContact CB-CE1 4.26Å; E11-F35 HydrophobicContact CG-CD1 3.99Å; Y14-F35 HydrophobicContact CD1-CE1 4Å; Y14-F35 HydrophobicContact CD1-CZ 4.26Å; L15-F35 HydrophobicContact CB-CE1 4.38Å; L15-F35 HydrophobicContact CB-CZ 4.19Å; L15-F35 HydrophobicContact CD1-CZ 4.13Å; L15-F35 HydrophobicContact CG-CZ 4.5Å; G29-F35 WeakPolarHBondContact O-CE2 3.27Å; L30-F35 HydrophobicContact CD1-CD2 4.5Å; L30-F35 HydrophobicContact CD1-CE2 4.4Å; L30-F35 WeakPolarHBondContact O-CE2 3.23Å; H33-F35 HydrophobicContact CB-CE2 3.83Å; H33-F35 HydrophobicContact CB-CZ 4.04Å; H33-F35 WeakPolarHBondContact O-CD2 3.32Å; H33-F35 PolarHBondContact O-N 3.18Å; F35-L39 HydrophobicContact CB-CD2 3.76Å; F35-L39 HydrophobicContact CD2-CD2 3.81Å; F35-L39 HydrophobicContact CG-CD2 4.12Å; F35-I42 HydrophobicContact CB-CD1 3.51Å; F35-I42 HydrophobicContact CD1-CD1 3.79Å; F35-I42 HydrophobicContact CD1-CG2 4.4Å; F35-I42 HydrophobicContact CE1-CG2 4.36Å; F35-I42 HydrophobicContact CG-CD1 3.73Å
36T87.7Confident83.7Confident113 Ų11365.1 Ų65.169%0.69332%0.322SS*.SBendtrans-90.4-32.117865.30000111.7I7 E11I7-T36 VanDerWaalsContact CG2-OG1 3.23Å; I7-T36 WeakPolarHBondContact CG2-OG1 3.46Å; E11-T36 WeakPolarHBondContact OE1-CB 3.48Å; E11-T36 PolarHBondContact OE1-N 2.83Å; E11-T36 PolarHBondContact OE1-OG1 2.8Å; E11-T36 PolarHBondContact OE2-N 3.47Å
37C86.8Confident84Confident29 Ų2965.9 Ų65.920%0.19633%0.328CS..SBendtrans-79.6168.9178.1-71.90000112.6I7 L8 E11 L39 I42I7-C37 VanDerWaalsContact CG2-SG 3.59Å; L8-C37 HydrophobicContact CD1-CB 4.16Å; E11-C37 WeakPolarHBondContact OE2-CB 3.49Å; E11-C37 PolarHBondContact OE2-N 2.79Å; C37-L39 PolarHBondContact O-N 3.17Å; C37-L39 VanDerWaalsContact O-N 3.1Å; C37-I42 HydrophobicContact CB-CD1 3.84Å; C37-I42 HydrophobicContact CB-CG1 3.98Å
38N86Confident84.5Confident89 Ų8965.9 Ų65.948%0.47633%0.328SS..  trans-59.9115.9175.2-176.3-68.7000111.4R40 K41 I42N38-R40 PolarHBondContact O-N 2.8Å; N38-R40 VanDerWaalsContact O-N 3.1Å; N38-R40 VanDerWaalsContact OD1-CB 3.29Å; N38-R40 WeakPolarHBondContact OD1-CB 2.84Å; N38-R40 PolarHBondContact OD1-N 2.62Å; N38-K41 HydrophobicContact CB-CB 4.4Å; N38-K41 HydrophobicContact CB-CD 4.23Å; N38-K41 HydrophobicContact CB-CG 4.17Å; N38-K41 WeakPolarHBondContact O-CB 2.99Å; N38-K41 PolarHBondContact O-N 2.85Å; N38-K41 PolarHBondContact OD1-N 2.65Å; N38-I42 PolarHBondContact O-N 3Å; N38-I42 VanDerWaalsContact O-N 3.14Å
39L87.4Confident85.5Confident68 Ų6862.9 Ų62.936%0.35631%0.31SS..Hα-helixtrans-53.2-34.6-177.4-61.6-179000113.8L30 F35 C37 I42 Y43L30-L39 HydrophobicContact CD1-CB 4.3Å; L30-L39 HydrophobicContact CD1-CD2 4.11Å; L30-L39 HydrophobicContact CD2-CB 4.43Å; L30-L39 HydrophobicContact CG-CB 4.45Å; L30-L39 HydrophobicContact CG-CD2 4.36Å; F35-L39 HydrophobicContact CB-CD2 3.76Å; F35-L39 HydrophobicContact CD2-CD2 3.81Å; F35-L39 HydrophobicContact CG-CD2 4.12Å; C37-L39 PolarHBondContact O-N 3.17Å; C37-L39 VanDerWaalsContact O-N 3.1Å; L39-I42 HydrophobicContact CD2-CD1 4.41Å; L39-Y43 VanDerWaalsContact O-CB 3.23Å; L39-Y43 WeakPolarHBondContact O-CB 3.49Å; L39-Y43 PolarHBondContact O-N 2.7Å
40R82.1Confident85.8Confident171 Ų17163.3 Ų63.365%0.64531%0.312SS*.Hα-helixtrans-66.6-40.4177.8-60.7-176.8-178.4-170.7-2.2111.1N38 A44 D229N38-R40 PolarHBondContact O-N 2.8Å; N38-R40 VanDerWaalsContact O-N 3.1Å; N38-R40 VanDerWaalsContact OD1-CB 3.29Å; N38-R40 WeakPolarHBondContact OD1-CB 2.84Å; N38-R40 PolarHBondContact OD1-N 2.62Å; R40-A44 VanDerWaalsContact O-CB 3.23Å; R40-A44 WeakPolarHBondContact O-CB 3.22Å; R40-A44 PolarHBondContact O-N 2.61Å; R40-D229 IonicContact NH1-OD1 3.59Å; R40-D229 IonicContact NH2-OD1 2.65Å
41K88.7Confident85.6Confident135 Ų13568 Ų6859%0.58734%0.337SS*.Hα-helixtrans-66.6-45.6177.8-67.2-175.2179.9176.20110.9L8 N38 A44 L45L8-K41 HydrophobicContact CD1-CB 3.84Å; L8-K41 HydrophobicContact CD2-CB 4.45Å; N38-K41 HydrophobicContact CB-CB 4.4Å; N38-K41 HydrophobicContact CB-CD 4.23Å; N38-K41 HydrophobicContact CB-CG 4.17Å; N38-K41 WeakPolarHBondContact O-CB 2.99Å; N38-K41 PolarHBondContact O-N 2.85Å; N38-K41 PolarHBondContact OD1-N 2.65Å; K41-A44 PolarHBondContact O-N 3.29Å; K41-L45 WeakPolarHBondContact O-CB 3.18Å; K41-L45 PolarHBondContact O-N 3.29Å
42I89.9Confident86Confident0 Ų061.3 Ų61.30%031%0.314CS..Hα-helixtrans-59.4-52.7176.9-59169.5000109.8L8 E11 A12 L15 L30 F35 C37 N38 L39 A44 L45 A46L8-I42 HydrophobicContact CD1-CG1 3.8Å; E11-I42 HydrophobicContact CB-CD1 4.18Å; E11-I42 HydrophobicContact CB-CG1 4.41Å; E11-I42 WeakPolarHBondContact OE2-CD1 3.2Å; A12-I42 HydrophobicContact CB-CG2 4.44Å; L15-I42 HydrophobicContact CD2-CG2 3.93Å; L30-I42 HydrophobicContact CD1-CB 4.29Å; L30-I42 HydrophobicContact CD1-CG2 4.14Å; F35-I42 HydrophobicContact CB-CD1 3.51Å; F35-I42 HydrophobicContact CD1-CD1 3.79Å; F35-I42 HydrophobicContact CD1-CG2 4.4Å; F35-I42 HydrophobicContact CE1-CG2 4.36Å; F35-I42 HydrophobicContact CG-CD1 3.73Å; C37-I42 HydrophobicContact CB-CD1 3.84Å; C37-I42 HydrophobicContact CB-CG1 3.98Å; N38-I42 PolarHBondContact O-N 3Å; N38-I42 VanDerWaalsContact O-N 3.14Å; L39-I42 HydrophobicContact CD2-CD1 4.41Å; I42-A44 PolarHBondContact O-N 2.88Å; I42-L45 PolarHBondContact O-N 3.23Å; I42-A46 VanDerWaalsContact O-CB 3.31Å; I42-A46 WeakPolarHBondContact O-CB 3.26Å; I42-A46 PolarHBondContact O-N 3.1Å
43Y88.4Confident86.7Confident58 Ų5857.8 Ų57.823%0.22729%0.291CS..Hα-helixtrans-58.2-47.5179.6-178.5-98.2000111.9L26 K27 L30 L39 L45 S47L26-Y43 HydrophobicContact CD2-CD2 3.82Å; L26-Y43 HydrophobicContact CD2-CE2 3.38Å; L26-Y43 HydrophobicContact CG-CD2 3.91Å; L26-Y43 HydrophobicContact CG-CE2 3.67Å; K27-Y43 HydrophobicContact CG-CE2 3.84Å; L30-Y43 HydrophobicContact CD2-CD2 3.83Å; L30-Y43 HydrophobicContact CD2-CG 4.11Å; L39-Y43 VanDerWaalsContact O-CB 3.23Å; L39-Y43 WeakPolarHBondContact O-CB 3.49Å; L39-Y43 PolarHBondContact O-N 2.7Å; Y43-L45 VanDerWaalsContact C-N 3.34Å; Y43-L45 PolarHBondContact O-N 3.2Å; Y43-S47 WeakPolarHBondContact O-CA 3.44Å; Y43-S47 WeakPolarHBondContact O-CB 3.46Å; Y43-S47 PolarHBondContact O-N 3.18Å
44A86.9Confident86.8Confident41 Ų4156.9 Ų56.934%0.33930%0.296SS..Hα-helixtrans-62.1-41.5-179.500000112.2R40 K41 I42 K48R40-A44 VanDerWaalsContact O-CB 3.23Å; R40-A44 WeakPolarHBondContact O-CB 3.22Å; R40-A44 PolarHBondContact O-N 2.61Å; K41-A44 PolarHBondContact O-N 3.29Å; I42-A44 PolarHBondContact O-N 2.88Å; A44-K48 WeakPolarHBondContact O-CB 3.03Å; A44-K48 WeakPolarHBondContact O-CG 3.45Å; A44-K48 PolarHBondContact O-N 2.89Å; A44-K48 VanDerWaalsContact O-N 3.15Å
45L91.1Very high87.2Confident13 Ų1351.9 Ų51.97%0.06827%0.269CS..Hα-helixtrans-71.2-47.8179.5-17956.2000111.6L8 Y9 A12 K41 I42 Y43 K48 T49 V97 D101L8-L45 HydrophobicContact CG-CD2 4.44Å; Y9-L45 HydrophobicContact CD1-CD2 3.88Å; Y9-L45 HydrophobicContact CE1-CD2 3.93Å; A12-L45 HydrophobicContact CB-CB 4.15Å; A12-L45 HydrophobicContact CB-CD2 3.75Å; A12-L45 HydrophobicContact CB-CG 3.9Å; K41-L45 WeakPolarHBondContact O-CB 3.18Å; K41-L45 PolarHBondContact O-N 3.29Å; I42-L45 PolarHBondContact O-N 3.23Å; Y43-L45 VanDerWaalsContact C-N 3.34Å; Y43-L45 PolarHBondContact O-N 3.2Å; L45-K48 PolarHBondContact O-N 2.89Å; L45-T49 WeakPolarHBondContact O-CB 3.43Å; L45-T49 PolarHBondContact O-N 3.02Å; L45-T49 PolarHBondContact O-OG1 3.17Å; L45-V97 HydrophobicContact CD1-CG1 3.85Å; L45-V97 HydrophobicContact CD2-CG1 3.57Å; L45-V97 HydrophobicContact CG-CG1 3.55Å; L45-D101 HydrophobicContact CD1-CB 4.28Å
46A91.6Very high87.3Confident0 Ų050.5 Ų50.50%026%0.263CS..Hα-helixtrans-62.3-47.5177.200000111.6A12 L15 V16 L26 I42 K48 T49 L50A12-A46 HydrophobicContact CB-CB 4.48Å; L15-A46 HydrophobicContact CB-CB 4.32Å; L15-A46 HydrophobicContact CD2-CB 3.96Å; L15-A46 HydrophobicContact CG-CB 4.25Å; V16-A46 HydrophobicContact CG2-CB 3.89Å; L26-A46 HydrophobicContact CD1-CB 4.01Å; I42-A46 VanDerWaalsContact O-CB 3.31Å; I42-A46 WeakPolarHBondContact O-CB 3.26Å; I42-A46 PolarHBondContact O-N 3.1Å; A46-K48 PolarHBondContact O-N 3.29Å; A46-T49 PolarHBondContact O-N 3.1Å; A46-L50 VanDerWaalsContact O-CG 3.26Å; A46-L50 WeakPolarHBondContact O-CG 3.24Å; A46-L50 PolarHBondContact O-N 3.09Å
47S86.7Confident87.3Confident17 Ų1747.3 Ų47.312%0.11924%0.241CC..Hα-helixtrans-55.4-51176.7165.40000112.2Y43 T49 L50 N51 P374Y43-S47 WeakPolarHBondContact O-CA 3.44Å; Y43-S47 WeakPolarHBondContact O-CB 3.46Å; Y43-S47 PolarHBondContact O-N 3.18Å; S47-T49 VanDerWaalsContact C-N 3.31Å; S47-T49 PolarHBondContact O-N 3.44Å; S47-L50 PolarHBondContact O-N 3.32Å; S47-N51 PolarHBondContact O-N 3.27Å; S47-P374 WeakPolarHBondContact O-CB 3.43Å; S47-P374 WeakPolarHBondContact OG-CB 3.35Å; S47-P374 WeakPolarHBondContact OG-CG 2.99Å
48K87.8Confident87.3Confident116 Ų11651.3 Ų51.350%0.50426%0.257SS..Hα-helixtrans-68.2-34.2-178.4-68.2177.2176.3-170.90112.2A44 L45 A46 N51 S52 H100A44-K48 WeakPolarHBondContact O-CB 3.03Å; A44-K48 WeakPolarHBondContact O-CG 3.45Å; A44-K48 PolarHBondContact O-N 2.89Å; A44-K48 VanDerWaalsContact O-N 3.15Å; L45-K48 PolarHBondContact O-N 2.89Å; A46-K48 PolarHBondContact O-N 3.29Å; K48-N51 PolarHBondContact O-N 3.14Å; K48-S52 WeakPolarHBondContact O-CB 3.48Å; K48-S52 PolarHBondContact O-N 3.26Å; K48-S52 VanDerWaalsContact O-N 3.1Å; K48-S52 PolarHBondContact O-OG 3.01Å; K48-H100 VanDerWaalsContact C-NE2 3.35Å; K48-H100 WeakPolarHBondContact CB-CE1 3.25Å; K48-H100 WeakPolarHBondContact CB-NE2 3.38Å; K48-H100 PolarHBondContact O-CD2 3.15Å; K48-H100 PolarHBondContact O-NE2 3.36Å
49T90.6Very high87.6Confident0 Ų047 Ų470%023%0.234CC..Hα-helixtrans-62.4-46.2172.8-55.10000110.8V16 L45 A46 S47 S52 Y53 L56 L96 V97 H100V16-T49 HydrophobicContact CG2-CG2 4.32Å; L45-T49 WeakPolarHBondContact O-CB 3.43Å; L45-T49 PolarHBondContact O-N 3.02Å; L45-T49 PolarHBondContact O-OG1 3.17Å; A46-T49 PolarHBondContact O-N 3.1Å; S47-T49 VanDerWaalsContact C-N 3.31Å; S47-T49 PolarHBondContact O-N 3.44Å; T49-S52 CarbonylContact O-C 3.38Å; T49-S52 PolarHBondContact O-N 3.34Å; T49-S52 VanDerWaalsContact O-N 3.15Å; T49-Y53 WeakPolarHBondContact O-CA 3.43Å; T49-Y53 PolarHBondContact O-N 2.93Å; T49-L56 HydrophobicContact CG2-CD1 4.24Å; T49-L96 HydrophobicContact CG2-CB 4.2Å; T49-V97 HydrophobicContact CG2-CB 4.49Å; T49-V97 HydrophobicContact CG2-CG2 3.87Å; T49-H100 HydrophobicContact CG2-CB 4.19Å
50L86.6Confident87.7Confident8 Ų843.8 Ų43.84%0.04222%0.217CC..Hα-helixtrans-63.2-42.6177.5-68162.4000112.1V16 V19 K20 L26 A46 S47 S52 Y53 P374 D375V16-L50 HydrophobicContact CB-CD2 4.45Å; V16-L50 HydrophobicContact CG1-CD2 3.91Å; V16-L50 HydrophobicContact CG1-CG 4.5Å; V16-L50 HydrophobicContact CG2-CD2 4.41Å; V16-L50 HydrophobicContact CG2-CG 4.16Å; V19-L50 HydrophobicContact CB-CD1 4.29Å; V19-L50 HydrophobicContact CB-CD2 4.26Å; V19-L50 HydrophobicContact CG1-CD1 4.01Å; V19-L50 HydrophobicContact CG1-CD2 3.82Å; V19-L50 HydrophobicContact CG2-CD1 4.25Å; K20-L50 HydrophobicContact CD-CD2 4.29Å; K20-L50 VanDerWaalsContact CE-CD2 3.45Å; K20-L50 HydrophobicContact CG-CD2 4.17Å; L26-L50 HydrophobicContact CD1-CD1 3.85Å; L26-L50 HydrophobicContact CD2-CD1 4.1Å; L26-L50 HydrophobicContact CG-CD1 4.38Å; A46-L50 VanDerWaalsContact O-CG 3.26Å; A46-L50 WeakPolarHBondContact O-CG 3.24Å; A46-L50 PolarHBondContact O-N 3.09Å; S47-L50 PolarHBondContact O-N 3.32Å; L50-S52 PolarHBondContact O-N 2.98Å; L50-Y53 WeakPolarHBondContact O-CB 3.42Å; L50-Y53 PolarHBondContact O-N 2.96Å; L50-Y53 VanDerWaalsContact O-N 3.09Å; L50-P374 CarbonylContact C-O 3.56Å; L50-P374 WeakPolarHBondContact CB-O 3.13Å; L50-D375 HydrophobicContact CD1-CB 4.28Å
51N81.3Confident88Confident105 Ų10542.5 Ų42.556%0.56122%0.217SC*.Hα-helixtrans-59.2-30.9173.8-79.2-19000113.3S47 K48 P374S47-N51 PolarHBondContact O-N 3.27Å; K48-N51 PolarHBondContact O-N 3.14Å; N51-P374 WeakPolarHBondContact OD1-CA 3.36Å; N51-P374 WeakPolarHBondContact OD1-CB 3.46Å
52S86.1Confident88.1Confident20 Ų2041.1 Ų41.114%0.1421%0.211CC..THydrogen-bonded Turntrans-99.66.5-179.3-51.20000112.4K48 T49 L50 G54 I55 L56 I104K48-S52 WeakPolarHBondContact O-CB 3.48Å; K48-S52 PolarHBondContact O-N 3.26Å; K48-S52 VanDerWaalsContact O-N 3.1Å; K48-S52 PolarHBondContact O-OG 3.01Å; T49-S52 CarbonylContact O-C 3.38Å; T49-S52 PolarHBondContact O-N 3.34Å; T49-S52 VanDerWaalsContact O-N 3.15Å; L50-S52 PolarHBondContact O-N 2.98Å; S52-G54 PolarHBondContact O-N 3.45Å; S52-I55 WeakPolarHBondContact O-CG2 3.3Å; S52-I55 PolarHBondContact O-N 3.37Å; S52-L56 WeakPolarHBondContact O-CB 3.31Å; S52-L56 WeakPolarHBondContact O-CG 3.05Å; S52-L56 PolarHBondContact O-N 2.61Å; S52-I104 WeakPolarHBondContact OG-CD1 3.36Å
53Y87.4Confident88.1Confident10 Ų1041.5 Ų41.54%0.03921%0.213CC..Hα-helixtrans-58.6-48.1-167-166.4-94.1000112.6V16 K20 T49 L50 I55 L56 L57 H73 L96 E379V16-Y53 HydrophobicContact CG1-CE2 4.28Å; K20-Y53 HydrophobicContact CD-CD1 4.33Å; K20-Y53 HydrophobicContact CD-CD2 4.33Å; K20-Y53 HydrophobicContact CD-CE1 3.96Å; K20-Y53 HydrophobicContact CD-CE2 3.96Å; K20-Y53 HydrophobicContact CD-CG 4.49Å; K20-Y53 VanDerWaalsContact CE-CE2 3.47Å; K20-Y53 HydrophobicContact CG-CD2 4.39Å; K20-Y53 HydrophobicContact CG-CE1 4.47Å; K20-Y53 HydrophobicContact CG-CE2 3.72Å; T49-Y53 WeakPolarHBondContact O-CA 3.43Å; T49-Y53 PolarHBondContact O-N 2.93Å; L50-Y53 WeakPolarHBondContact O-CB 3.42Å; L50-Y53 PolarHBondContact O-N 2.96Å; L50-Y53 VanDerWaalsContact O-N 3.09Å; Y53-I55 PolarHBondContact O-N 2.94Å; Y53-L56 PolarHBondContact O-N 3.1Å; Y53-L57 HydrophobicContact CD1-CD1 3.68Å; Y53-L57 HydrophobicContact CD1-CG 4.07Å; Y53-L57 HydrophobicContact CE1-CD1 3.41Å; Y53-L57 VanDerWaalsContact CE1-CD1 3.41Å; Y53-L57 HydrophobicContact CE1-CD2 4.45Å; Y53-L57 HydrophobicContact CE1-CG 3.93Å; Y53-L57 WeakPolarHBondContact O-CG 3.37Å; Y53-L57 PolarHBondContact O-N 3.17Å; Y53-H73 PolarHBondContact OH-CE1 3.14Å; Y53-H73 PolarHBondContact OH-NE2 3.37Å; Y53-L96 HydrophobicContact CD2-CD1 3.58Å; Y53-L96 HydrophobicContact CE2-CD1 3.07Å; Y53-L96 HydrophobicContact CG-CD1 4.48Å; Y53-E379 WeakPolarHBondContact CD1-OE1 3.45Å
54G83.5Confident88.2Confident35 Ų3545.8 Ų45.836%0.36124%0.24SC..Hα-helixtrans-61.1-44.4178.900000113.8S52 L56 L57 Q58S52-G54 PolarHBondContact O-N 3.45Å; G54-L56 VanDerWaalsContact C-N 3.34Å; G54-L56 PolarHBondContact O-N 3.04Å; G54-L57 PolarHBondContact O-N 3.17Å; G54-Q58 WeakPolarHBondContact O-CG 3.3Å; G54-Q58 PolarHBondContact O-N 2.99Å; G54-Q58 VanDerWaalsContact O-N 3.07Å
55I87.2Confident88.1Confident32 Ų3245 Ų4516%0.16423%0.23CC..Hα-helixtrans-67.5-36.1177.4-176.7163.6000111.5S52 Y53 Q58 T59 Y135 V138 N139S52-I55 WeakPolarHBondContact O-CG2 3.3Å; S52-I55 PolarHBondContact O-N 3.37Å; Y53-I55 PolarHBondContact O-N 2.94Å; I55-Q58 PolarHBondContact O-N 3.13Å; I55-T59 WeakPolarHBondContact O-CB 3.47Å; I55-T59 PolarHBondContact O-N 2.97Å; I55-T59 PolarHBondContact O-OG1 3.49Å; I55-Y135 HydrophobicContact CD1-CD2 4.38Å; I55-Y135 HydrophobicContact CD1-CE2 3.71Å; I55-Y135 HydrophobicContact CG1-CD2 4.31Å; I55-Y135 HydrophobicContact CG1-CE2 3.94Å; I55-V138 HydrophobicContact CD1-CG1 4.42Å; I55-V138 HydrophobicContact CG1-CG1 3.79Å; I55-N139 HydrophobicContact CD1-CB 3.97Å
56L89.9Confident87.2Confident0 Ų048.6 Ų48.60%025%0.247CC..Hα-helixtrans-68.7-40.1177.1-67.5173.8000111.7T49 S52 Y53 G54 T59 L60 L96 I99 H100 I104T49-L56 HydrophobicContact CG2-CD1 4.24Å; S52-L56 WeakPolarHBondContact O-CB 3.31Å; S52-L56 WeakPolarHBondContact O-CG 3.05Å; S52-L56 PolarHBondContact O-N 2.61Å; Y53-L56 PolarHBondContact O-N 3.1Å; G54-L56 VanDerWaalsContact C-N 3.34Å; G54-L56 PolarHBondContact O-N 3.04Å; L56-T59 WeakPolarHBondContact O-CB 3.48Å; L56-T59 PolarHBondContact O-N 3.29Å; L56-L60 WeakPolarHBondContact O-CG 3.39Å; L56-L60 PolarHBondContact O-N 3.49Å; L56-L96 HydrophobicContact CB-CD2 3.65Å; L56-I99 HydrophobicContact CB-CD1 4.07Å; L56-I99 HydrophobicContact CD2-CD1 3.93Å; L56-I99 HydrophobicContact CD2-CG1 3.96Å; L56-I99 HydrophobicContact CG-CD1 4.48Å; L56-H100 HydrophobicContact CD1-CB 3.74Å; L56-I104 HydrophobicContact CD2-CD1 4.06Å
57L88.1Confident85.8Confident46 Ų4650.4 Ų50.424%0.24126%0.258CS..Hα-helixtrans-60.9-47.7172.6-79.2-178000112.3Y53 G54 T59 L60 K61 H92Y53-L57 HydrophobicContact CD1-CD1 3.68Å; Y53-L57 HydrophobicContact CD1-CG 4.07Å; Y53-L57 HydrophobicContact CE1-CD1 3.41Å; Y53-L57 VanDerWaalsContact CE1-CD1 3.41Å; Y53-L57 HydrophobicContact CE1-CD2 4.45Å; Y53-L57 HydrophobicContact CE1-CG 3.93Å; Y53-L57 WeakPolarHBondContact O-CG 3.37Å; Y53-L57 PolarHBondContact O-N 3.17Å; G54-L57 PolarHBondContact O-N 3.17Å; L57-T59 PolarHBondContact O-N 3.48Å; L57-L60 PolarHBondContact O-N 2.73Å; L57-K61 PolarHBondContact O-N 3.29Å; L57-H92 VanDerWaalsContact CD2-CE1 3.42Å; L57-H92 WeakPolarHBondContact CD2-CE1 3.38Å; L57-H92 VanDerWaalsContact CD2-NE2 3.25Å; L57-H92 WeakPolarHBondContact CD2-NE2 3.35Å
58Q86.6Confident84.2Confident113 Ų11356.9 Ų56.953%0.52830%0.297SS..Hα-helixtrans-62-36.5176.2-71.5177.7900111.6G54 I55 K61 K62 V138G54-Q58 WeakPolarHBondContact O-CG 3.3Å; G54-Q58 PolarHBondContact O-N 2.99Å; G54-Q58 VanDerWaalsContact O-N 3.07Å; I55-Q58 PolarHBondContact O-N 3.13Å; Q58-K61 PolarHBondContact O-N 3.33Å; Q58-K62 WeakPolarHBondContact O-CB 3.06Å; Q58-K62 PolarHBondContact O-N 2.96Å; Q58-V138 HydrophobicContact CB-CG1 3.71Å; Q58-V138 HydrophobicContact CB-CG2 4.23Å; Q58-V138 VanDerWaalsContact OE1-CG1 3.31Å
59T91.5Very high82.7Confident0 Ų056.2 Ų56.20%030%0.303CS..Hα-helixtrans-63.3-46.4174.5-61.90000111.3I55 L56 L57 K62 A63 L103 L131 A134I55-T59 WeakPolarHBondContact O-CB 3.47Å; I55-T59 PolarHBondContact O-N 2.97Å; I55-T59 PolarHBondContact O-OG1 3.49Å; L56-T59 WeakPolarHBondContact O-CB 3.48Å; L56-T59 PolarHBondContact O-N 3.29Å; L57-T59 PolarHBondContact O-N 3.48Å; T59-K62 PolarHBondContact O-N 2.91Å; T59-A63 VanDerWaalsContact O-CB 3.27Å; T59-A63 WeakPolarHBondContact O-CB 3.49Å; T59-A63 PolarHBondContact O-N 3.31Å; T59-L103 HydrophobicContact CG2-CD1 4.13Å; T59-L131 HydrophobicContact CG2-CD2 4.23Å; T59-A134 HydrophobicContact CG2-CB 3.99Å; T59-A134 WeakPolarHBondContact O-CB 3.37Å
60L90.1Very high81.4Confident0 Ų065.3 Ų65.30%034%0.343CS..Hα-helixtrans-60.8-44.9176.3-75177.9000112.1L56 L57 A63 N64 L65 F95 L96 I99 L131L56-L60 WeakPolarHBondContact O-CG 3.39Å; L56-L60 PolarHBondContact O-N 3.49Å; L57-L60 PolarHBondContact O-N 2.73Å; L60-A63 PolarHBondContact O-N 2.86Å; L60-N64 PolarHBondContact O-N 2.9Å; L60-L65 HydrophobicContact CD2-CB 4.25Å; L60-L65 PolarHBondContact O-N 3.19Å; L60-F95 HydrophobicContact CD1-CD1 4.4Å; L60-F95 HydrophobicContact CD2-CD1 3.83Å; L60-F95 HydrophobicContact CD2-CE1 3.33Å; L60-F95 HydrophobicContact CD2-CZ 3.89Å; L60-L96 HydrophobicContact CD1-CD2 3.62Å; L60-L96 HydrophobicContact CD1-CG 4.34Å; L60-I99 HydrophobicContact CD1-CD1 4.23Å; L60-I99 HydrophobicContact CD2-CD1 3.89Å; L60-I99 HydrophobicContact CG-CD1 3.82Å; L60-L131 HydrophobicContact CD2-CD2 3.9Å
61K87.9Confident80.4Confident144 Ų14467.5 Ų67.563%0.62635%0.354SS*.Hα-helixtrans-60.3-47.5176.8-172.9176.2-179.2178.80111L57 Q58 A63 N64L57-K61 PolarHBondContact O-N 3.29Å; Q58-K61 PolarHBondContact O-N 3.33Å; K61-A63 VanDerWaalsContact C-N 3.33Å; K61-A63 PolarHBondContact O-N 2.93Å; K61-N64 PolarHBondContact O-N 2.87Å; K61-N64 VanDerWaalsContact O-N 3.17Å; K61-N64 PolarHBondContact O-OD1 3.26Å
62K90.4Very high79.8Confident106 Ų10671 Ų7146%0.46136%0.364SS..Hα-helixtrans-68.2-30.5179.2-176.1165-168.8146.90113.3Q58 T59 N64 A134 S137 V138Q58-K62 WeakPolarHBondContact O-CB 3.06Å; Q58-K62 PolarHBondContact O-N 2.96Å; T59-K62 PolarHBondContact O-N 2.91Å; K62-N64 PolarHBondContact O-N 3.46Å; K62-A134 HydrophobicContact CB-CB 3.98Å; K62-A134 HydrophobicContact CD-CB 4.46Å; K62-A134 HydrophobicContact CG-CB 3.98Å; K62-S137 WeakPolarHBondContact CE-OG 3.35Å; K62-S137 PolarHBondContact NZ-OG 3.4Å; K62-V138 HydrophobicContact CB-CG2 4.3Å; K62-V138 HydrophobicContact CD-CG2 3.9Å
63A91.3Very high79.1Confident7 Ų772.2 Ų72.26%0.05837%0.368CS..THydrogen-bonded Turntrans-78.1-6.3175.400000113.3T59 L60 K61 L65 K130 L131 A134T59-A63 VanDerWaalsContact O-CB 3.27Å; T59-A63 WeakPolarHBondContact O-CB 3.49Å; T59-A63 PolarHBondContact O-N 3.31Å; L60-A63 PolarHBondContact O-N 2.86Å; K61-A63 VanDerWaalsContact C-N 3.33Å; K61-A63 PolarHBondContact O-N 2.93Å; A63-L65 HydrophobicContact CB-CB 4.36Å; A63-L65 HydrophobicContact CB-CD1 3.93Å; A63-L65 HydrophobicContact CB-CG 4.1Å; A63-L65 PolarHBondContact O-N 2.96Å; A63-K130 HydrophobicContact CB-CB 4.22Å; A63-L131 HydrophobicContact CB-CD2 4.11Å; A63-A134 HydrophobicContact CB-CB 3.85Å
64N88.8Confident78.2Confident149 Ų14974.3 Ų74.380%0.79738%0.379SS*.THydrogen-bonded Turntrans54.439-169.9-63.5-27.8000112.7L60 K61 K62L60-N64 PolarHBondContact O-N 2.9Å; K61-N64 PolarHBondContact O-N 2.87Å; K61-N64 VanDerWaalsContact O-N 3.17Å; K61-N64 PolarHBondContact O-OD1 3.26Å; K62-N64 PolarHBondContact O-N 3.46Å
65L85.7Confident77Confident25 Ų2575.4 Ų75.413%0.13138%0.381CS..  trans-117.616.5179.6-66.7172.3000112.4L60 A63 F95 T122 A127 L131L60-L65 HydrophobicContact CD2-CB 4.25Å; L60-L65 PolarHBondContact O-N 3.19Å; A63-L65 HydrophobicContact CB-CB 4.36Å; A63-L65 HydrophobicContact CB-CD1 3.93Å; A63-L65 HydrophobicContact CB-CG 4.1Å; A63-L65 PolarHBondContact O-N 2.96Å; L65-F95 HydrophobicContact CB-CE1 4.31Å; L65-T122 HydrophobicContact CD2-CG2 4.18Å; L65-A127 HydrophobicContact CD1-CB 3.93Å; L65-A127 HydrophobicContact CD2-CB 4.43Å; L65-L131 HydrophobicContact CD1-CD1 4.21Å; L65-L131 HydrophobicContact CD1-CD2 3.89Å; L65-L131 HydrophobicContact CD1-CG 3.69Å
66Q72.4Confident75.3Confident87 Ų8778.3 Ų78.341%0.40740%0.404SS..SBendtrans-74.4137176.6-167.5175.5-900109.8T68Q66-T68 PolarHBondContact O-N 2.73Å
67P61.9Low73Confident38 Ų3887.8 Ų87.825%0.24745%0.446CS..  trans-56.7132172.6-22.532.5000110.4T69P67-T69 PolarHBondContact O-N 3.38Å
68T54.2Low70.8Confident153 Ų15388.3 Ų88.394%0.93945%0.454SS*.SBendtrans-69.7-14.8178.647.50000112.8Q66Q66-T68 PolarHBondContact O-N 2.73Å
69T56Low68.2Low103 Ų10390.4 Ų90.463%0.63247%0.468SS*.SBendtrans-88.9143.6178.7510000111.9P67 I71P67-T69 PolarHBondContact O-N 3.38Å; T69-I71 PolarHBondContact O-N 3.36Å; T69-I71 VanDerWaalsContact O-N 3.12Å
70K61.9Low65.7Low190 Ų19097.1 Ų97.183%0.82650%0.499SS*.PPolyproline II helixtrans-54.9118.9173.4-168.7174.7-175.91760108.8K72K70-K72 PolarHBondContact O-N 3.18Å; K70-K72 VanDerWaalsContact O-N 3.11Å
71I65.7Low63Low55 Ų55104.9 Ų104.928%0.28254%0.541SS..PPolyproline II helixtrans-61.4116.5-177.6-59.1160.7000108.3T69 H73 H92T69-I71 PolarHBondContact O-N 3.36Å; T69-I71 VanDerWaalsContact O-N 3.12Å; I71-H73 VanDerWaalsContact CG2-CE1 3.48Å; I71-H73 WeakPolarHBondContact CG2-CE1 3.37Å; I71-H73 WeakPolarHBondContact CG2-NE2 3.49Å; I71-H92 VanDerWaalsContact CD1-CE1 3.48Å; I71-H92 WeakPolarHBondContact CD1-CE1 3.34Å; I71-H92 HydrophobicContact CG1-CB 4.41Å; I71-H92 HydrophobicContact CG2-CB 4.03Å
72K69.8Low60.5Low177 Ų177102.6 Ų102.677%0.7754%0.536SS*.  trans-107.9105.7173.1-68.6-176.9-178.4-179.90108.4K70K70-K72 PolarHBondContact O-N 3.18Å; K70-K72 VanDerWaalsContact O-N 3.11Å
73H71.8Confident57.8Low47 Ų47107.3 Ų107.322%0.21856%0.556CS.*  trans-77.9164.1170.4-62.3-68.1000110.6Y53 I71 S75 C93Y53-H73 PolarHBondContact OH-CE1 3.14Å; Y53-H73 PolarHBondContact OH-NE2 3.37Å; I71-H73 VanDerWaalsContact CG2-CE1 3.48Å; I71-H73 WeakPolarHBondContact CG2-CE1 3.37Å; I71-H73 WeakPolarHBondContact CG2-NE2 3.49Å; H73-S75 PolarHBondContact O-N 2.76Å; H73-C93 PolarHBondContact CE1-SG 3.33Å; H73-C93 PolarHBondContact ND1-SG 3.24Å; H73-C93 VanDerWaalsContact ND1-SG 3.37Å
74L67.7Low55.2Low53 Ų53112.4 Ų112.428%0.27758%0.582SS.*  trans-58.4125.1169.2-68.8167.8000108.3Y14 C17 L18 G21 V23Y14-L74 HydrophobicContact CD2-CD1 3.69Å; Y14-L74 HydrophobicContact CE2-CD1 3.4Å; Y14-L74 VanDerWaalsContact CE2-CD1 3.4Å; C17-L74 HydrophobicContact CB-CD1 4.38Å; C17-L74 PolarHBondContact SG-N 3.42Å; C17-L74 VanDerWaalsContact SG-N 3.42Å; L18-L74 HydrophobicContact CD2-CB 4.42Å; L18-L74 HydrophobicContact CD2-CD1 3.86Å; L18-L74 HydrophobicContact CG-CD1 4.37Å; G21-L74 WeakPolarHBondContact CA-O 3.48Å; V23-L74 HydrophobicContact CG2-CB 4.4Å; V23-L74 WeakPolarHBondContact CG2-O 3.32Å
75S57.7Low53Low58 Ų58112.1 Ų112.141%0.40658%0.581SS.*  trans-113.6154.1-179.275.20000110.2H73 K77 S78H73-S75 PolarHBondContact O-N 2.76Å; S75-K77 PolarHBondContact O-N 3.24Å; S75-S78 PolarHBondContact O-N 3.14Å; S75-S78 VanDerWaalsContact O-N 3.14Å; S75-S78 PolarHBondContact O-OG 2.88Å
76S52Low51.5Low93 Ų93116.6 Ų116.665%0.6561%0.605SS**THydrogen-bonded Turntrans-59-13.7176.9-171.20000113.9
77K41.9Very low50.9Low199 Ų199114.1 Ų114.187%0.86560%0.595SS**THydrogen-bonded Turntrans-86-12.7-179.4-67.7-174178.7-178.90114S75 N79S75-K77 PolarHBondContact O-N 3.24Å; K77-N79 VanDerWaalsContact C-N 3.33Å; K77-N79 PolarHBondContact O-N 2.71Å; K77-N79 VanDerWaalsContact O-N 3.13Å
78S42.2Very low51.1Low58 Ų58118.1 Ų118.141%0.40661%0.611SS.*  trans-85.677.6171.256.20000109.6S75 H80S75-S78 PolarHBondContact O-N 3.14Å; S75-S78 VanDerWaalsContact O-N 3.14Å; S75-S78 PolarHBondContact O-OG 2.88Å; S78-H80 PolarHBondContact O-N 3.2Å
79N31.5Very low52.3Low156 Ų156112.2 Ų112.283%0.83458%0.575SS**  trans-66.281.5164-100-7.7000108.3K77 N81K77-N79 VanDerWaalsContact C-N 3.33Å; K77-N79 PolarHBondContact O-N 2.71Å; K77-N79 VanDerWaalsContact O-N 3.13Å; N79-N81 PolarHBondContact O-N 3.03Å
80H39Very low53.7Low141 Ų141108.4 Ų108.465%0.65355%0.553SS**  trans-83.9106.5164-92.2-75.3000108.6S78 N82S78-H80 PolarHBondContact O-N 3.2Å; H80-N82 HydrophobicContact CB-CB 4.23Å; H80-N82 PolarHBondContact ND1-OD1 3.37Å; H80-N82 VanDerWaalsContact ND1-OD1 3.16Å; H80-N82 PolarHBondContact O-N 2.92Å
81N32.9Very low54.8Low163 Ų163104.5 Ų104.587%0.87254%0.54SS*.  trans-63.550.6151.5-78.9-28.3000110.3N79 K83N79-N81 PolarHBondContact O-N 3.03Å; N81-K83 PolarHBondContact O-N 3.06Å; N81-K83 VanDerWaalsContact O-N 3.13Å
82N35.2Very low55.8Low97 Ų97102.1 Ų102.152%0.51953%0.528SS..  trans-77.6104.6172.9-88.517.4000107.6H80 D84H80-N82 HydrophobicContact CB-CB 4.23Å; H80-N82 PolarHBondContact ND1-OD1 3.37Å; H80-N82 VanDerWaalsContact ND1-OD1 3.16Å; H80-N82 PolarHBondContact O-N 2.92Å; N82-D84 PolarHBondContact O-N 3.04Å
83K35.4Very low56.8Low204 Ų20493.7 Ų93.789%0.88749%0.491SS*.  trans-66.50.5164-75.5179.9174.9175.70112.5N81N81-K83 PolarHBondContact O-N 3.06Å; N81-K83 VanDerWaalsContact O-N 3.13Å
84D36.4Very low57.8Low115 Ų11592.8 Ų92.862%0.61549%0.486SS*.SBendtrans-99.4117.9173.3-59.1-36.4000109.6N82 D86N82-D84 PolarHBondContact O-N 3.04Å; D84-D86 PolarHBondContact O-N 2.96Å
85N42.8Very low58.9Low143 Ų14390.5 Ų90.577%0.76547%0.474SS*.  trans-6724.1-177.3-80-47.4000114.6V87N85-V87 PolarHBondContact O-N 3.02Å
86D52.7Low60.6Low119 Ų11987.7 Ų87.764%0.63645%0.454SS*.  trans-82.1115.6-172.8-82.4-16.3000112.6D84 H88D84-D86 PolarHBondContact O-N 2.96Å; D86-H88 WeakPolarHBondContact CB-NE2 3.49Å; D86-H88 PolarHBondContact O-N 2.99Å; D86-H88 VanDerWaalsContact O-N 3.14Å
87V60.2Low62.5Low34 Ų3483.3 Ų83.321%0.20642%0.423CS..  trans-76.294.2179.7-179.90000109.5E11 Y14 N85E11-V87 HydrophobicContact CG-CG1 4.41Å; Y14-V87 HydrophobicContact CD1-CG1 3.54Å; Y14-V87 HydrophobicContact CD2-CG1 3.79Å; Y14-V87 HydrophobicContact CE1-CG1 4.18Å; Y14-V87 HydrophobicContact CE2-CG1 4.4Å; Y14-V87 HydrophobicContact CG-CG1 3.3Å; N85-V87 PolarHBondContact O-N 3.02Å
88H67.1Low65Low123 Ų12373.8 Ų73.857%0.56938%0.382SS*.  trans-105.8116.7179.6-68.5-54000113.3Y14 D86Y14-H88 WeakPolarHBondContact CD2-O 2.99Å; D86-H88 WeakPolarHBondContact CB-NE2 3.49Å; D86-H88 PolarHBondContact O-N 2.99Å; D86-H88 VanDerWaalsContact O-N 3.14Å
89S78.9Confident67.4Low28 Ų2871 Ų7120%0.19636%0.363CS..  trans-96.3157.9170.576.70000111.3A13 Y14A13-S89 WeakPolarHBondContact CB-OG 3.46Å; Y14-S89 VanDerWaalsContact CA-CB 3.43Å; Y14-S89 VanDerWaalsContact N-CB 3.27Å
90C84.8Confident70.2Confident24 Ų2463.9 Ų63.916%0.16232%0.324CS..  trans-70.2146.1170.876.60000110.1H92 C93 Y94C90-H92 PolarHBondContact O-N 3.06Å; C90-C93 PolarHBondContact O-N 3.37Å; C90-C93 PolarHBondContact SG-N 2.75Å; C90-C93 VanDerWaalsContact SG-N 3.43Å; C90-C93 PolarHBondContact SG-SG 3.4Å; C90-Y94 PolarHBondContact O-N 3.31Å; C90-Y94 VanDerWaalsContact O-N 3.11Å
91I85.5Confident72.8Confident108 Ų10857.6 Ų57.655%0.55430%0.295SS*.Hα-helixtrans-55.4-29.5-178.7-165.6162.8000112.5Y94 F95 V121I91-Y94 PolarHBondContact O-N 3.14Å; I91-F95 VanDerWaalsContact O-CB 3.32Å; I91-F95 WeakPolarHBondContact O-CB 3.43Å; I91-F95 PolarHBondContact O-N 3.11Å; I91-V121 HydrophobicContact CD1-CG1 4.33Å; I91-V121 HydrophobicContact CG1-CG1 4.24Å
92H87.3Confident75.5Confident5 Ų550.8 Ų50.82%0.02326%0.259CS..Hα-helixtrans-64.4-50176.2-174.975.5000112.4L57 I71 C90 Y94 F95 L96L57-H92 VanDerWaalsContact CD2-CE1 3.42Å; L57-H92 WeakPolarHBondContact CD2-CE1 3.38Å; L57-H92 VanDerWaalsContact CD2-NE2 3.25Å; L57-H92 WeakPolarHBondContact CD2-NE2 3.35Å; I71-H92 VanDerWaalsContact CD1-CE1 3.48Å; I71-H92 WeakPolarHBondContact CD1-CE1 3.34Å; I71-H92 HydrophobicContact CG1-CB 4.41Å; I71-H92 HydrophobicContact CG2-CB 4.03Å; C90-H92 PolarHBondContact O-N 3.06Å; H92-Y94 VanDerWaalsContact C-N 3.32Å; H92-Y94 PolarHBondContact O-N 3.08Å; H92-F95 PolarHBondContact O-N 3.36Å; H92-L96 WeakPolarHBondContact NE2-CD1 3.34Å; H92-L96 WeakPolarHBondContact O-CG 3.32Å; H92-L96 PolarHBondContact O-N 2.88Å
93C90.6Very high78.1Confident0 Ų047.4 Ų47.40%024%0.241CC..Hα-helixtrans-64.1-39.8176.9-70.70000111.4A13 V16 C17 H73 C90 F95 L96 V97A13-C93 HydrophobicContact CB-CB 4.49Å; A13-C93 WeakPolarHBondContact O-CB 3.5Å; V16-C93 HydrophobicContact CB-CB 4.42Å; V16-C93 HydrophobicContact CG1-CB 4.14Å; C17-C93 VanDerWaalsContact CA-SG 3.56Å; C17-C93 HydrophobicContact CB-CB 4.04Å; H73-C93 PolarHBondContact CE1-SG 3.33Å; H73-C93 PolarHBondContact ND1-SG 3.24Å; H73-C93 VanDerWaalsContact ND1-SG 3.37Å; C90-C93 PolarHBondContact O-N 3.37Å; C90-C93 PolarHBondContact SG-N 2.75Å; C90-C93 VanDerWaalsContact SG-N 3.43Å; C90-C93 PolarHBondContact SG-SG 3.4Å; C93-F95 PolarHBondContact O-N 3.07Å; C93-L96 PolarHBondContact O-N 3.2Å; C93-V97 WeakPolarHBondContact O-CG2 3.44Å; C93-V97 PolarHBondContact O-N 2.82Å
94Y92.1Very high80.4Confident27 Ų2740.3 Ų40.311%0.10621%0.212CC..Hα-helixtrans-58.2-49.7174.4-176.1-114.8000111.6A13 C90 I91 H92 L96 V97 L98 V121A13-Y94 VanDerWaalsContact CB-CA 3.42Å; A13-Y94 HydrophobicContact CB-CD2 4.01Å; C90-Y94 PolarHBondContact O-N 3.31Å; C90-Y94 VanDerWaalsContact O-N 3.11Å; I91-Y94 PolarHBondContact O-N 3.14Å; H92-Y94 VanDerWaalsContact C-N 3.32Å; H92-Y94 PolarHBondContact O-N 3.08Å; Y94-L96 VanDerWaalsContact C-N 3.34Å; Y94-L96 PolarHBondContact O-N 3.48Å; Y94-V97 PolarHBondContact O-N 2.83Å; Y94-L98 HydrophobicContact CD1-CD1 3.93Å; Y94-L98 HydrophobicContact CE1-CD1 3.56Å; Y94-L98 HydrophobicContact CE1-CG 4.32Å; Y94-L98 HydrophobicContact CE2-CD2 4.49Å; Y94-L98 WeakPolarHBondContact O-CG 3.47Å; Y94-L98 PolarHBondContact O-N 3.24Å; Y94-L98 VanDerWaalsContact O-N 3.1Å; Y94-V121 HydrophobicContact CD1-CG2 4.21Å; Y94-V121 HydrophobicContact CE1-CG2 4.18Å
95F91.7Very high82.1Confident5 Ų538.9 Ų38.92%0.02220%0.2CC..Hα-helixtrans-62.1-41.6179.4-169.3-155.1000112.2L60 L65 I91 H92 C93 V97 L98 I99 I118 V121 T122 L131L60-F95 HydrophobicContact CD1-CD1 4.4Å; L60-F95 HydrophobicContact CD2-CD1 3.83Å; L60-F95 HydrophobicContact CD2-CE1 3.33Å; L60-F95 HydrophobicContact CD2-CZ 3.89Å; L65-F95 HydrophobicContact CB-CE1 4.31Å; I91-F95 VanDerWaalsContact O-CB 3.32Å; I91-F95 WeakPolarHBondContact O-CB 3.43Å; I91-F95 PolarHBondContact O-N 3.11Å; H92-F95 PolarHBondContact O-N 3.36Å; C93-F95 PolarHBondContact O-N 3.07Å; F95-V97 PolarHBondContact O-N 2.9Å; F95-L98 WeakPolarHBondContact O-CB 3.4Å; F95-L98 PolarHBondContact O-N 3.44Å; F95-I99 HydrophobicContact CD2-CG2 3.77Å; F95-I99 HydrophobicContact CE2-CG2 3.46Å; F95-I99 VanDerWaalsContact CE2-CG2 3.46Å; F95-I99 HydrophobicContact CZ-CG2 4.08Å; F95-I99 WeakPolarHBondContact O-CG1 3.32Å; F95-I99 WeakPolarHBondContact O-CG2 3.31Å; F95-I99 PolarHBondContact O-N 2.97Å; F95-I118 HydrophobicContact CE2-CG1 4.15Å; F95-I118 HydrophobicContact CE2-CG2 4.09Å; F95-V121 HydrophobicContact CB-CG1 4.21Å; F95-V121 HydrophobicContact CD1-CG1 4.3Å; F95-V121 HydrophobicContact CD2-CG1 4.12Å; F95-V121 HydrophobicContact CG-CG1 3.98Å; F95-T122 HydrophobicContact CE1-CG2 3.95Å; F95-T122 HydrophobicContact CE2-CG2 3.92Å; F95-T122 HydrophobicContact CZ-CG2 3.35Å; F95-L131 HydrophobicContact CE2-CD1 4.39Å; F95-L131 HydrophobicContact CZ-CD1 4.26Å
96L92.3Very high83.1Confident0 Ų041.2 Ų41.20%021%0.207CC..Hα-helixtrans-58.8-42.8175.9-75.6177.8000113T49 Y53 L56 L60 H92 C93 Y94 I99 H100T49-L96 HydrophobicContact CG2-CB 4.2Å; Y53-L96 HydrophobicContact CD2-CD1 3.58Å; Y53-L96 HydrophobicContact CE2-CD1 3.07Å; Y53-L96 HydrophobicContact CG-CD1 4.48Å; L56-L96 HydrophobicContact CB-CD2 3.65Å; L60-L96 HydrophobicContact CD1-CD2 3.62Å; L60-L96 HydrophobicContact CD1-CG 4.34Å; H92-L96 WeakPolarHBondContact NE2-CD1 3.34Å; H92-L96 WeakPolarHBondContact O-CG 3.32Å; H92-L96 PolarHBondContact O-N 2.88Å; C93-L96 PolarHBondContact O-N 3.2Å; Y94-L96 VanDerWaalsContact C-N 3.34Å; Y94-L96 PolarHBondContact O-N 3.48Å; L96-I99 HydrophobicContact CD2-CD1 4.03Å; L96-I99 VanDerWaalsContact O-CG1 3.28Å; L96-I99 WeakPolarHBondContact O-CG1 3.38Å; L96-H100 VanDerWaalsContact O-CB 3.26Å; L96-H100 WeakPolarHBondContact O-CB 3.48Å; L96-H100 PolarHBondContact O-N 3.2Å
97V93.3Very high83.6Confident0 Ų043 Ų430%021%0.208CC..Hα-helixtrans-65.3-41.8177.1179.60000110.9Y9 A12 A13 V16 L45 T49 C93 Y94 F95 H100 D101Y9-V97 HydrophobicContact CD1-CG1 3.8Å; Y9-V97 HydrophobicContact CE1-CG1 4.43Å; A12-V97 HydrophobicContact CB-CG1 4.11Å; A13-V97 HydrophobicContact CB-CG2 4.05Å; V16-V97 HydrophobicContact CG2-CG2 3.97Å; L45-V97 HydrophobicContact CD1-CG1 3.85Å; L45-V97 HydrophobicContact CD2-CG1 3.57Å; L45-V97 HydrophobicContact CG-CG1 3.55Å; T49-V97 HydrophobicContact CG2-CB 4.49Å; T49-V97 HydrophobicContact CG2-CG2 3.87Å; C93-V97 WeakPolarHBondContact O-CG2 3.44Å; C93-V97 PolarHBondContact O-N 2.82Å; Y94-V97 PolarHBondContact O-N 2.83Å; F95-V97 PolarHBondContact O-N 2.9Å; V97-H100 WeakPolarHBondContact O-CB 3.34Å; V97-H100 PolarHBondContact O-N 2.89Å; V97-D101 PolarHBondContact O-N 2.93Å; V97-D101 VanDerWaalsContact O-N 3.12Å
98L93Very high83.8Confident0 Ų049.6 Ų49.60%024%0.235CC..Hα-helixtrans-61-49.3176.9-66.2175.2000111.7Y9 Y94 F95 H100 D101 L102 L114 Q117 I118 V121Y9-L98 HydrophobicContact CD1-CD2 3.75Å; Y9-L98 HydrophobicContact CD2-CD2 4.4Å; Y9-L98 HydrophobicContact CE1-CD2 4.24Å; Y9-L98 HydrophobicContact CG-CD2 3.88Å; Y94-L98 HydrophobicContact CD1-CD1 3.93Å; Y94-L98 HydrophobicContact CE1-CD1 3.56Å; Y94-L98 HydrophobicContact CE1-CG 4.32Å; Y94-L98 HydrophobicContact CE2-CD2 4.49Å; Y94-L98 WeakPolarHBondContact O-CG 3.47Å; Y94-L98 PolarHBondContact O-N 3.24Å; Y94-L98 VanDerWaalsContact O-N 3.1Å; F95-L98 WeakPolarHBondContact O-CB 3.4Å; F95-L98 PolarHBondContact O-N 3.44Å; L98-H100 VanDerWaalsContact C-N 3.32Å; L98-H100 PolarHBondContact O-N 2.85Å; L98-D101 PolarHBondContact O-N 2.85Å; L98-L102 WeakPolarHBondContact O-CB 3.25Å; L98-L102 PolarHBondContact O-N 3.45Å; L98-L114 HydrophobicContact CB-CD2 4.31Å; L98-L114 HydrophobicContact CD2-CD2 3.73Å; L98-Q117 HydrophobicContact CD1-CB 3.75Å; L98-Q117 HydrophobicContact CD2-CB 4.11Å; L98-I118 HydrophobicContact CB-CG1 4.16Å; L98-I118 HydrophobicContact CD1-CG1 4.45Å; L98-V121 HydrophobicContact CD1-CG2 4.47Å
99I92.2Very high83.6Confident0 Ų049.4 Ų49.40%024%0.242CC..Hα-helixtrans-69.8-30.9-178.965.9168.8000112L56 L60 F95 L96 L102 L103 I118 L131L56-I99 HydrophobicContact CB-CD1 4.07Å; L56-I99 HydrophobicContact CD2-CD1 3.93Å; L56-I99 HydrophobicContact CD2-CG1 3.96Å; L56-I99 HydrophobicContact CG-CD1 4.48Å; L60-I99 HydrophobicContact CD1-CD1 4.23Å; L60-I99 HydrophobicContact CD2-CD1 3.89Å; L60-I99 HydrophobicContact CG-CD1 3.82Å; F95-I99 HydrophobicContact CD2-CG2 3.77Å; F95-I99 HydrophobicContact CE2-CG2 3.46Å; F95-I99 VanDerWaalsContact CE2-CG2 3.46Å; F95-I99 HydrophobicContact CZ-CG2 4.08Å; F95-I99 WeakPolarHBondContact O-CG1 3.32Å; F95-I99 WeakPolarHBondContact O-CG2 3.31Å; F95-I99 PolarHBondContact O-N 2.97Å; L96-I99 HydrophobicContact CD2-CD1 4.03Å; L96-I99 VanDerWaalsContact O-CG1 3.28Å; L96-I99 WeakPolarHBondContact O-CG1 3.38Å; I99-L102 PolarHBondContact O-N 3.18Å; I99-L103 HydrophobicContact CB-CD1 4.15Å; I99-L103 VanDerWaalsContact O-CB 3.23Å; I99-L103 WeakPolarHBondContact O-CB 3.39Å; I99-L103 VanDerWaalsContact O-CG 3.24Å; I99-L103 WeakPolarHBondContact O-CG 3.4Å; I99-L103 PolarHBondContact O-N 2.96Å; I99-I118 HydrophobicContact CG2-CD1 4.28Å; I99-L131 HydrophobicContact CG2-CD1 3.67Å; I99-L131 HydrophobicContact CG2-CD2 4.3Å
100H92Very high83.6Confident6 Ų648.4 Ų48.43%0.02824%0.235CC..Hα-helixtrans-58.7-52.9172.4169.6-86.7000110.6K48 T49 L56 L96 V97 L98 L102 L103 I104K48-H100 VanDerWaalsContact C-NE2 3.35Å; K48-H100 WeakPolarHBondContact CB-CE1 3.25Å; K48-H100 WeakPolarHBondContact CB-NE2 3.38Å; K48-H100 PolarHBondContact O-CD2 3.15Å; K48-H100 PolarHBondContact O-NE2 3.36Å; T49-H100 HydrophobicContact CG2-CB 4.19Å; L56-H100 HydrophobicContact CD1-CB 3.74Å; L96-H100 VanDerWaalsContact O-CB 3.26Å; L96-H100 WeakPolarHBondContact O-CB 3.48Å; L96-H100 PolarHBondContact O-N 3.2Å; V97-H100 WeakPolarHBondContact O-CB 3.34Å; V97-H100 PolarHBondContact O-N 2.89Å; L98-H100 VanDerWaalsContact C-N 3.32Å; L98-H100 PolarHBondContact O-N 2.85Å; H100-L102 VanDerWaalsContact C-N 3.3Å; H100-L102 PolarHBondContact O-N 3.25Å; H100-L103 PolarHBondContact O-N 3.3Å; H100-I104 WeakPolarHBondContact O-CB 3.46Å; H100-I104 PolarHBondContact O-N 2.86Å
101D91.7Very high83.5Confident8 Ų850.5 Ų50.54%0.04324%0.242CC..Hα-helixtrans-65.1-35.7-179.2-152.3-53.3000111Y9 L45 V97 L98 K105 L114Y9-D101 HydrophobicContact CE1-CB 3.76Å; Y9-D101 PolarHBondContact OH-OD2 3.18Å; L45-D101 HydrophobicContact CD1-CB 4.28Å; V97-D101 PolarHBondContact O-N 2.93Å; V97-D101 VanDerWaalsContact O-N 3.12Å; L98-D101 PolarHBondContact O-N 2.85Å; D101-K105 VanDerWaalsContact CG-NZ 3.27Å; D101-K105 VanDerWaalsContact O-CB 3.29Å; D101-K105 WeakPolarHBondContact O-CB 3.36Å; D101-K105 WeakPolarHBondContact OD1-CD 3.46Å; D101-K105 IonicContact OD1-NZ 3.54Å; D101-K105 PolarHBondContact OD1-NZ 3.31Å; D101-K105 IonicContact OD2-NZ 3.64Å; D101-K105 PolarHBondContact OD2-NZ 2.93Å; D101-L114 HydrophobicContact CB-CD1 4.07Å; D101-L114 HydrophobicContact CB-CD2 4.28Å
102L90.6Very high83.5Confident20 Ų2052.1 Ų52.111%0.10525%0.248CC..Hα-helixtrans-68.7-45176.8179.668.9000114.1L98 I99 H100 L114 L115 I118 T128L98-L102 WeakPolarHBondContact O-CB 3.25Å; L98-L102 PolarHBondContact O-N 3.45Å; I99-L102 PolarHBondContact O-N 3.18Å; H100-L102 VanDerWaalsContact C-N 3.3Å; H100-L102 PolarHBondContact O-N 3.25Å; L102-L114 HydrophobicContact CB-CD1 4.21Å; L102-L114 HydrophobicContact CD1-CB 4.43Å; L102-L115 HydrophobicContact CD1-CD2 4.31Å; L102-I118 HydrophobicContact CB-CD1 4.19Å; L102-I118 HydrophobicContact CD2-CD1 3.38Å; L102-I118 HydrophobicContact CG-CD1 4.32Å; L102-T128 HydrophobicContact CD2-CG2 3.84Å
103L89.2Confident83.6Confident27 Ų2752.9 Ų52.914%0.14125%0.251CS..Hα-helixtrans-94.7-31.6-165.9-63.4173.3000113.5T59 I99 H100 L131 R132 Y135T59-L103 HydrophobicContact CG2-CD1 4.13Å; I99-L103 HydrophobicContact CB-CD1 4.15Å; I99-L103 VanDerWaalsContact O-CB 3.23Å; I99-L103 WeakPolarHBondContact O-CB 3.39Å; I99-L103 VanDerWaalsContact O-CG 3.24Å; I99-L103 WeakPolarHBondContact O-CG 3.4Å; I99-L103 PolarHBondContact O-N 2.96Å; H100-L103 PolarHBondContact O-N 3.3Å; L103-L131 HydrophobicContact CD1-CB 4.4Å; L103-L131 HydrophobicContact CD2-CB 4.39Å; L103-R132 HydrophobicContact CD2-CB 4.49Å; L103-R132 HydrophobicContact CD2-CG 3.74Å; L103-Y135 HydrophobicContact CB-CD1 4.33Å; L103-Y135 HydrophobicContact CB-CG 4.32Å; L103-Y135 HydrophobicContact CD1-CD2 4.32Å; L103-Y135 HydrophobicContact CD1-CG 4.19Å
104I83.4Confident83.6Confident54 Ų5453 Ų5328%0.27725%0.252SS..THydrogen-bonded Turntrans-108.6-30.5-167.9-55.1-171.7000111.8S52 L56 H100 E106 Y135S52-I104 WeakPolarHBondContact OG-CD1 3.36Å; L56-I104 HydrophobicContact CD2-CD1 4.06Å; H100-I104 WeakPolarHBondContact O-CB 3.46Å; H100-I104 PolarHBondContact O-N 2.86Å; I104-E106 PolarHBondContact O-N 3.48Å; I104-Y135 HydrophobicContact CD1-CE2 4.11Å; I104-Y135 HydrophobicContact CG1-CE2 4.08Å
105K73.1Confident83.5Confident86 Ų8654.5 Ų54.537%0.37426%0.261SS..  trans-79.2126.7-176.4-161.2-174.5-175.31780110.9D101 K107D101-K105 VanDerWaalsContact CG-NZ 3.27Å; D101-K105 VanDerWaalsContact O-CB 3.29Å; D101-K105 WeakPolarHBondContact O-CB 3.36Å; D101-K105 WeakPolarHBondContact OD1-CD 3.46Å; D101-K105 IonicContact OD1-NZ 3.54Å; D101-K105 PolarHBondContact OD1-NZ 3.31Å; D101-K105 IonicContact OD2-NZ 3.64Å; D101-K105 PolarHBondContact OD2-NZ 2.93Å; K105-K107 VanDerWaalsContact C-N 3.28Å; K105-K107 PolarHBondContact O-N 2.91Å
106E62.7Low83.4Confident192 Ų19257.2 Ų57.290%0.89728%0.28SS*.SBendtrans-68.7-25.4-178.7-63.9173.9171.800113.3I104I104-E106 PolarHBondContact O-N 3.48Å
107K64.8Low83.3Confident155 Ų15558.6 Ų58.667%0.67429%0.287SS*.  trans-90.1117-177.1-68.4-169.2177.4-172.80111.9K105 T109K105-K107 VanDerWaalsContact C-N 3.28Å; K105-K107 PolarHBondContact O-N 2.91Å; K107-T109 VanDerWaalsContact C-N 3.26Å; K107-T109 PolarHBondContact O-N 3.05Å; K107-T109 VanDerWaalsContact O-N 3.15Å
108K64.5Low83.2Confident174 Ų17458.6 Ų58.676%0.75729%0.287SS*.  trans-79.118.8-176.9-61.4-178.3-178.8174.60115.7S110 H111K108-S110 PolarHBondContact O-N 3.44Å; K108-H111 HydrophobicContact CB-CB 4.47Å; K108-H111 WeakPolarHBondContact O-CB 3.33Å; K108-H111 PolarHBondContact O-N 3.34Å
109T62.2Low83Confident118 Ų11863 Ų6372%0.72431%0.307SS*.THydrogen-bonded Turntrans-64.8-16.5-167.451.40000115.2K107K107-T109 VanDerWaalsContact C-N 3.26Å; K107-T109 PolarHBondContact O-N 3.05Å; K107-T109 VanDerWaalsContact O-N 3.15Å
110S78.3Confident82.9Confident8 Ų867.9 Ų67.96%0.05633%0.33CS..THydrogen-bonded Turntrans-124.619.9-178.947.50000113.4Y9 K108 H112 F113 L114Y9-S110 PolarHBondContact OH-OG 2.92Å; Y9-S110 VanDerWaalsContact OH-OG 3.12Å; K108-S110 PolarHBondContact O-N 3.44Å; S110-H112 PolarHBondContact O-N 2.99Å; S110-F113 PolarHBondContact O-N 3.28Å; S110-L114 WeakPolarHBondContact O-CG 3.42Å; S110-L114 PolarHBondContact O-N 3.28Å
111H83.7Confident82.7Confident67 Ų6769.6 Ų69.631%0.3134%0.341SS..Hα-helixtrans-58-50.3-168.4-170.8-95000113.6K108 F113 L114 L115 R132K108-H111 HydrophobicContact CB-CB 4.47Å; K108-H111 WeakPolarHBondContact O-CB 3.33Å; K108-H111 PolarHBondContact O-N 3.34Å; H111-F113 VanDerWaalsContact C-N 3.32Å; H111-F113 PolarHBondContact O-N 2.81Å; H111-L114 PolarHBondContact O-N 2.97Å; H111-L115 WeakPolarHBondContact O-CG 3.42Å; H111-L115 PolarHBondContact O-N 3.41Å; H111-R132 PolarHBondContact NE2-NH2 2.91Å
112H86.1Confident82.5Confident143 Ų14370.7 Ų70.766%0.66235%0.348SS*.Hα-helixtrans-61.8-38.9179.3-173.4-64.7000112.7S110 L115 S116S110-H112 PolarHBondContact O-N 2.99Å; H112-L115 PolarHBondContact O-N 3.03Å; H112-S116 PolarHBondContact O-N 2.86Å; H112-S116 VanDerWaalsContact O-N 3.15Å
113F89.4Confident82.5Confident21 Ų2177.2 Ų77.29%0.09238%0.375CS..Hα-helixtrans-62.3-47.4176.1174.7-91.7000110.8L5 Y9 S110 H111 L115 S116 Q117L5-F113 HydrophobicContact CB-CD1 4.17Å; L5-F113 HydrophobicContact CB-CD2 4.36Å; L5-F113 HydrophobicContact CB-CE1 4.07Å; L5-F113 HydrophobicContact CB-CE2 4.24Å; L5-F113 HydrophobicContact CB-CG 4.34Å; L5-F113 HydrophobicContact CB-CZ 4.1Å; L5-F113 HydrophobicContact CD1-CB 4.23Å; L5-F113 HydrophobicContact CD1-CD1 4.42Å; L5-F113 HydrophobicContact CD1-CG 4.12Å; Y9-F113 HydrophobicContact CD2-CD1 4.15Å; Y9-F113 AromaticContact CD2-CE1 3.45Å; Y9-F113 HydrophobicContact CD2-CE1 3.45Å; Y9-F113 VanDerWaalsContact CD2-CE1 3.45Å; Y9-F113 HydrophobicContact CD2-CZ 4.31Å; Y9-F113 AromaticContact CE2-CD1 3.85Å; Y9-F113 HydrophobicContact CE2-CD1 3.85Å; Y9-F113 AromaticContact CE2-CE1 3.64Å; Y9-F113 HydrophobicContact CE2-CE1 3.64Å; Y9-F113 HydrophobicContact CG-CE1 4.42Å; S110-F113 PolarHBondContact O-N 3.28Å; H111-F113 VanDerWaalsContact C-N 3.32Å; H111-F113 PolarHBondContact O-N 2.81Å; F113-L115 PolarHBondContact O-N 3.41Å; F113-S116 WeakPolarHBondContact O-CB 3.28Å; F113-S116 PolarHBondContact O-N 2.82Å; F113-Q117 HydrophobicContact CD1-CG 4.17Å; F113-Q117 HydrophobicContact CE1-CG 3.61Å; F113-Q117 HydrophobicContact CE2-CG 4.01Å; F113-Q117 HydrophobicContact CZ-CG 3.52Å; F113-Q117 WeakPolarHBondContact O-CG 3.38Å; F113-Q117 PolarHBondContact O-N 3.48Å
114L89.7Confident82.5Confident3 Ų377.6 Ų77.62%0.01638%0.378CS..Hα-helixtrans-60.6-43.4178.8-71.1170.2000112.3Y9 L98 D101 L102 S110 H111 S116 Q117 I118Y9-L114 HydrophobicContact CE1-CD2 3.74Å; Y9-L114 HydrophobicContact CE2-CD2 4.24Å; L98-L114 HydrophobicContact CB-CD2 4.31Å; L98-L114 HydrophobicContact CD2-CD2 3.73Å; D101-L114 HydrophobicContact CB-CD1 4.07Å; D101-L114 HydrophobicContact CB-CD2 4.28Å; L102-L114 HydrophobicContact CB-CD1 4.21Å; L102-L114 HydrophobicContact CD1-CB 4.43Å; S110-L114 WeakPolarHBondContact O-CG 3.42Å; S110-L114 PolarHBondContact O-N 3.28Å; H111-L114 PolarHBondContact O-N 2.97Å; L114-S116 VanDerWaalsContact C-N 3.33Å; L114-S116 PolarHBondContact O-N 3.07Å; L114-Q117 PolarHBondContact O-N 3.09Å; L114-I118 WeakPolarHBondContact O-CB 3.42Å; L114-I118 WeakPolarHBondContact O-CD1 3.47Å; L114-I118 VanDerWaalsContact O-CG1 3.23Å; L114-I118 WeakPolarHBondContact O-CG1 3.33Å; L114-I118 PolarHBondContact O-N 3.49Å
115L89.8Confident82.8Confident58 Ų5879.2 Ų79.230%0.30440%0.399SS..Hα-helixtrans-59.2-45.5176.6-66.6-176.6000111.7L102 H111 H112 F113 I118 H119 T128L102-L115 HydrophobicContact CD1-CD2 4.31Å; H111-L115 WeakPolarHBondContact O-CG 3.42Å; H111-L115 PolarHBondContact O-N 3.41Å; H112-L115 PolarHBondContact O-N 3.03Å; F113-L115 PolarHBondContact O-N 3.41Å; L115-I118 PolarHBondContact O-N 2.81Å; L115-H119 WeakPolarHBondContact O-CB 3.49Å; L115-H119 PolarHBondContact O-N 2.8Å; L115-T128 HydrophobicContact CD2-CG2 3.62Å; L115-T128 WeakPolarHBondContact CD2-OG1 3.31Å
116S89.3Confident83.6Confident61 Ų6179.8 Ų79.843%0.42741%0.405SS..Hα-helixtrans-59.8-50.5177.9-169.80000111.4H112 F113 L114 I118 H119 E120H112-S116 PolarHBondContact O-N 2.86Å; H112-S116 VanDerWaalsContact O-N 3.15Å; F113-S116 WeakPolarHBondContact O-CB 3.28Å; F113-S116 PolarHBondContact O-N 2.82Å; L114-S116 VanDerWaalsContact C-N 3.33Å; L114-S116 PolarHBondContact O-N 3.07Å; S116-I118 PolarHBondContact O-N 2.94Å; S116-H119 PolarHBondContact O-N 3.09Å; S116-E120 WeakPolarHBondContact O-CB 3.41Å; S116-E120 PolarHBondContact O-N 2.91Å
117Q90.3Very high85Confident29 Ų2970.7 Ų70.714%0.13636%0.363CS..Hα-helixtrans-66.5-36.8-179.2-64.8-44.5122.100112.8L98 F113 L114 E120 V121L98-Q117 HydrophobicContact CD1-CB 3.75Å; L98-Q117 HydrophobicContact CD2-CB 4.11Å; F113-Q117 HydrophobicContact CD1-CG 4.17Å; F113-Q117 HydrophobicContact CE1-CG 3.61Å; F113-Q117 HydrophobicContact CE2-CG 4.01Å; F113-Q117 HydrophobicContact CZ-CG 3.52Å; F113-Q117 WeakPolarHBondContact O-CG 3.38Å; F113-Q117 PolarHBondContact O-N 3.48Å; L114-Q117 PolarHBondContact O-N 3.09Å; Q117-E120 PolarHBondContact NE2-OE2 2.79Å; Q117-E120 PolarHBondContact O-N 2.86Å; Q117-V121 VanDerWaalsContact O-CG2 3.3Å; Q117-V121 WeakPolarHBondContact O-CG2 3.26Å; Q117-V121 PolarHBondContact O-N 2.88Å
118I90.6Very high86.2Confident0 Ų064.3 Ų64.30%034%0.337CS..Hα-helixtrans-67.1-42.7177.4-72.5167.4000110.6F95 L98 I99 L102 L114 L115 S116 E120 V121 T122 A127 L131F95-I118 HydrophobicContact CE2-CG1 4.15Å; F95-I118 HydrophobicContact CE2-CG2 4.09Å; L98-I118 HydrophobicContact CB-CG1 4.16Å; L98-I118 HydrophobicContact CD1-CG1 4.45Å; I99-I118 HydrophobicContact CG2-CD1 4.28Å; L102-I118 HydrophobicContact CB-CD1 4.19Å; L102-I118 HydrophobicContact CD2-CD1 3.38Å; L102-I118 HydrophobicContact CG-CD1 4.32Å; L114-I118 WeakPolarHBondContact O-CB 3.42Å; L114-I118 WeakPolarHBondContact O-CD1 3.47Å; L114-I118 VanDerWaalsContact O-CG1 3.23Å; L114-I118 WeakPolarHBondContact O-CG1 3.33Å; L114-I118 PolarHBondContact O-N 3.49Å; L115-I118 PolarHBondContact O-N 2.81Å; S116-I118 PolarHBondContact O-N 2.94Å; I118-E120 VanDerWaalsContact C-N 3.3Å; I118-E120 PolarHBondContact O-N 2.93Å; I118-V121 PolarHBondContact O-N 2.75Å; I118-T122 HydrophobicContact CG2-CG2 4.38Å; I118-T122 WeakPolarHBondContact O-CB 3.48Å; I118-T122 WeakPolarHBondContact O-CG2 3.42Å; I118-T122 PolarHBondContact O-N 2.83Å; I118-T122 PolarHBondContact O-OG1 3.45Å; I118-A127 HydrophobicContact CG2-CB 4.09Å; I118-L131 HydrophobicContact CG2-CD1 4.15Å
119H90.6Very high87.5Confident94 Ų9462.3 Ų62.344%0.43533%0.328SS..Hα-helixtrans-62.3-40.8174.1-178.463000111.2L115 S116 V121 T122 K123 D124L115-H119 WeakPolarHBondContact O-CB 3.49Å; L115-H119 PolarHBondContact O-N 2.8Å; S116-H119 PolarHBondContact O-N 3.09Å; H119-V121 PolarHBondContact O-N 3.45Å; H119-T122 PolarHBondContact O-N 2.85Å; H119-K123 VanDerWaalsContact O-CA 3.25Å; H119-K123 WeakPolarHBondContact O-CA 3.4Å; H119-K123 PolarHBondContact O-N 3.34Å; H119-D124 PolarHBondContact ND1-O 3.34Å
120E88.6Confident89Confident102 Ų10260.9 Ų60.948%0.47731%0.312SS..Hα-helixtrans-61.3-42.3177.1-173.7-179.4-17200112.8S116 Q117 I118 K123S116-E120 WeakPolarHBondContact O-CB 3.41Å; S116-E120 PolarHBondContact O-N 2.91Å; Q117-E120 PolarHBondContact NE2-OE2 2.79Å; Q117-E120 PolarHBondContact O-N 2.86Å; I118-E120 VanDerWaalsContact C-N 3.3Å; I118-E120 PolarHBondContact O-N 2.93Å; E120-K123 WeakPolarHBondContact O-CD 3.47Å; E120-K123 WeakPolarHBondContact O-CE 3.25Å; E120-K123 PolarHBondContact O-NZ 3.26Å
121V87.7Confident89.7Confident41 Ų4160.5 Ų60.525%0.24831%0.31CS..Hα-helixtrans-73.3-39.2179.6170.90000112.2I91 Y94 F95 L98 Q117 I118 H119I91-V121 HydrophobicContact CD1-CG1 4.33Å; I91-V121 HydrophobicContact CG1-CG1 4.24Å; Y94-V121 HydrophobicContact CD1-CG2 4.21Å; Y94-V121 HydrophobicContact CE1-CG2 4.18Å; F95-V121 HydrophobicContact CB-CG1 4.21Å; F95-V121 HydrophobicContact CD1-CG1 4.3Å; F95-V121 HydrophobicContact CD2-CG1 4.12Å; F95-V121 HydrophobicContact CG-CG1 3.98Å; L98-V121 HydrophobicContact CD1-CG2 4.47Å; Q117-V121 VanDerWaalsContact O-CG2 3.3Å; Q117-V121 WeakPolarHBondContact O-CG2 3.26Å; Q117-V121 PolarHBondContact O-N 2.88Å; I118-V121 PolarHBondContact O-N 2.75Å; H119-V121 PolarHBondContact O-N 3.45Å
122T89Confident90.2Very high31 Ų3162.2 Ų62.219%0.1931%0.313CS..Hα-helixtrans-93.7-21.6-173.158.30000114.2L65 F95 I118 H119 D124 A127L65-T122 HydrophobicContact CD2-CG2 4.18Å; F95-T122 HydrophobicContact CE1-CG2 3.95Å; F95-T122 HydrophobicContact CE2-CG2 3.92Å; F95-T122 HydrophobicContact CZ-CG2 3.35Å; I118-T122 HydrophobicContact CG2-CG2 4.38Å; I118-T122 WeakPolarHBondContact O-CB 3.48Å; I118-T122 WeakPolarHBondContact O-CG2 3.42Å; I118-T122 PolarHBondContact O-N 2.83Å; I118-T122 PolarHBondContact O-OG1 3.45Å; H119-T122 PolarHBondContact O-N 2.85Å; T122-D124 PolarHBondContact O-N 3.4Å; T122-D124 VanDerWaalsContact O-N 3.07Å; T122-D124 PolarHBondContact OG1-N 3.1Å; T122-A127 HydrophobicContact CG2-CB 3.98Å; T122-A127 VanDerWaalsContact OG1-CB 3.29Å; T122-A127 WeakPolarHBondContact OG1-CB 3.34Å
123K88.9Confident90.5Very high158 Ų15860.7 Ų60.769%0.68731%0.306SS*.  trans5221.3-167.7-52.5-55.2-172.2-160.30113.9H119 E120H119-K123 VanDerWaalsContact O-CA 3.25Å; H119-K123 WeakPolarHBondContact O-CA 3.4Å; H119-K123 PolarHBondContact O-N 3.34Å; E120-K123 WeakPolarHBondContact O-CD 3.47Å; E120-K123 WeakPolarHBondContact O-CE 3.25Å; E120-K123 PolarHBondContact O-NZ 3.26Å
124D89.1Confident90.7Very high35 Ų3559.9 Ų59.919%0.18730%0.304CS..  trans-117.7116.4-177.5175.44.8000109.7H119 T122 L126 A127 K130H119-D124 PolarHBondContact ND1-O 3.34Å; T122-D124 PolarHBondContact O-N 3.4Å; T122-D124 VanDerWaalsContact O-N 3.07Å; T122-D124 PolarHBondContact OG1-N 3.1Å; D124-L126 PolarHBondContact O-N 2.67Å; D124-L126 WeakPolarHBondContact OD1-CA 3.39Å; D124-L126 WeakPolarHBondContact OD1-CB 3.02Å; D124-L126 PolarHBondContact OD1-N 3.21Å; D124-A127 HydrophobicContact CB-CB 4.07Å; D124-A127 VanDerWaalsContact O-CB 3.28Å; D124-A127 WeakPolarHBondContact O-CB 3.3Å; D124-A127 PolarHBondContact O-N 2.9Å; D124-K130 IonicContact OD1-NZ 3Å; D124-K130 WeakPolarHBondContact OD2-CD 3.11Å; D124-K130 WeakPolarHBondContact OD2-CE 3.39Å; D124-K130 IonicContact OD2-NZ 3.47Å; D124-K130 PolarHBondContact OD2-NZ 2.93Å
125A89.7Confident90.8Very high87 Ų8761.3 Ų61.372%0.71931%0.309SS*.THydrogen-bonded Turntrans-63.6-24.3178.700000112.8
126L91.6Very high90.9Very high98 Ų9864.7 Ų64.751%0.51332%0.323SS..THydrogen-bonded Turntrans-95.2-0.5179.3-61.3177.8000113.1D124 T128 K129 K130D124-L126 PolarHBondContact O-N 2.67Å; D124-L126 WeakPolarHBondContact OD1-CA 3.39Å; D124-L126 WeakPolarHBondContact OD1-CB 3.02Å; D124-L126 PolarHBondContact OD1-N 3.21Å; L126-T128 VanDerWaalsContact C-N 3.31Å; L126-T128 PolarHBondContact O-N 3.14Å; L126-K129 WeakPolarHBondContact O-CB 3.22Å; L126-K129 PolarHBondContact O-N 2.8Å; L126-K130 WeakPolarHBondContact O-CG 3.4Å; L126-K130 PolarHBondContact O-N 2.92Å
127A91.3Very high90.9Very high1 Ų163.8 Ų63.81%0.00832%0.317CS..Hα-helixtrans-52.3-47.3-174.800000112.6L65 I118 T122 D124 K129 K130 L131L65-A127 HydrophobicContact CD1-CB 3.93Å; L65-A127 HydrophobicContact CD2-CB 4.43Å; I118-A127 HydrophobicContact CG2-CB 4.09Å; T122-A127 HydrophobicContact CG2-CB 3.98Å; T122-A127 VanDerWaalsContact OG1-CB 3.29Å; T122-A127 WeakPolarHBondContact OG1-CB 3.34Å; D124-A127 HydrophobicContact CB-CB 4.07Å; D124-A127 VanDerWaalsContact O-CB 3.28Å; D124-A127 WeakPolarHBondContact O-CB 3.3Å; D124-A127 PolarHBondContact O-N 2.9Å; A127-K129 VanDerWaalsContact C-N 3.32Å; A127-K129 PolarHBondContact O-N 2.89Å; A127-K130 PolarHBondContact O-N 2.97Å; A127-L131 WeakPolarHBondContact O-CB 3.48Å; A127-L131 VanDerWaalsContact O-CG 3.24Å; A127-L131 WeakPolarHBondContact O-CG 3.02Å; A127-L131 PolarHBondContact O-N 3.06Å
128T90.7Very high90.9Very high21 Ų2162.7 Ų62.713%0.12931%0.312CS..Hα-helixtrans-62.5-38.9179.7-64.50000112.3L102 L115 L126 R132L102-T128 HydrophobicContact CD2-CG2 3.84Å; L115-T128 HydrophobicContact CD2-CG2 3.62Å; L115-T128 WeakPolarHBondContact CD2-OG1 3.31Å; L126-T128 VanDerWaalsContact C-N 3.31Å; L126-T128 PolarHBondContact O-N 3.14Å; T128-R132 WeakPolarHBondContact O-CG 3.37Å; T128-R132 PolarHBondContact O-N 3.19Å
129K91.6Very high90.7Very high133 Ų13364.4 Ų64.458%0.57832%0.321SS*.Hα-helixtrans-66.3-46.3177.2-173.7176179.5-177.80110.2L126 A127 L131 R132 H133L126-K129 WeakPolarHBondContact O-CB 3.22Å; L126-K129 PolarHBondContact O-N 2.8Å; A127-K129 VanDerWaalsContact C-N 3.32Å; A127-K129 PolarHBondContact O-N 2.89Å; K129-L131 PolarHBondContact O-N 3.25Å; K129-R132 PolarHBondContact O-N 3.12Å; K129-H133 PolarHBondContact O-CD2 2.83Å; K129-H133 PolarHBondContact O-N 3.37Å; K129-H133 VanDerWaalsContact O-N 3.1Å
130K93.7Very high90.6Very high88 Ų8867.8 Ų67.838%0.38334%0.335SS..Hα-helixtrans-57.7-47.4175.6-67.4175.3-179.5173.70111.6A63 D124 L126 A127 R132 H133 A134A63-K130 HydrophobicContact CB-CB 4.22Å; D124-K130 IonicContact OD1-NZ 3Å; D124-K130 WeakPolarHBondContact OD2-CD 3.11Å; D124-K130 WeakPolarHBondContact OD2-CE 3.39Å; D124-K130 IonicContact OD2-NZ 3.47Å; D124-K130 PolarHBondContact OD2-NZ 2.93Å; L126-K130 WeakPolarHBondContact O-CG 3.4Å; L126-K130 PolarHBondContact O-N 2.92Å; A127-K130 PolarHBondContact O-N 2.97Å; K130-R132 PolarHBondContact O-N 2.85Å; K130-H133 PolarHBondContact O-N 3.48Å; K130-A134 VanDerWaalsContact O-CB 3.26Å; K130-A134 WeakPolarHBondContact O-CB 3.48Å; K130-A134 PolarHBondContact O-N 2.92Å
131L93.2Very high90.3Very high0 Ų067.3 Ų67.30%034%0.335CS..Hα-helixtrans-60-45.3178.3-73.9168.5000112.5T59 L60 A63 L65 F95 I99 L103 I118 A127 K129 A134 Y135T59-L131 HydrophobicContact CG2-CD2 4.23Å; L60-L131 HydrophobicContact CD2-CD2 3.9Å; A63-L131 HydrophobicContact CB-CD2 4.11Å; L65-L131 HydrophobicContact CD1-CD1 4.21Å; L65-L131 HydrophobicContact CD1-CD2 3.89Å; L65-L131 HydrophobicContact CD1-CG 3.69Å; F95-L131 HydrophobicContact CE2-CD1 4.39Å; F95-L131 HydrophobicContact CZ-CD1 4.26Å; I99-L131 HydrophobicContact CG2-CD1 3.67Å; I99-L131 HydrophobicContact CG2-CD2 4.3Å; L103-L131 HydrophobicContact CD1-CB 4.4Å; L103-L131 HydrophobicContact CD2-CB 4.39Å; I118-L131 HydrophobicContact CG2-CD1 4.15Å; A127-L131 WeakPolarHBondContact O-CB 3.48Å; A127-L131 VanDerWaalsContact O-CG 3.24Å; A127-L131 WeakPolarHBondContact O-CG 3.02Å; A127-L131 PolarHBondContact O-N 3.06Å; K129-L131 PolarHBondContact O-N 3.25Å; L131-A134 PolarHBondContact O-N 2.89Å; L131-Y135 VanDerWaalsContact O-CB 3.26Å; L131-Y135 WeakPolarHBondContact O-CB 3.37Å; L131-Y135 PolarHBondContact O-N 2.75Å
132R93.2Very high89.7Confident102 Ų10266.9 Ų66.939%0.38533%0.334SS..Hα-helixtrans-63.3-46.1178.5-73.7-179.8-171.2152.89.8112L103 H111 T128 K129 K130 Y135 Q136L103-R132 HydrophobicContact CD2-CB 4.49Å; L103-R132 HydrophobicContact CD2-CG 3.74Å; H111-R132 PolarHBondContact NE2-NH2 2.91Å; T128-R132 WeakPolarHBondContact O-CG 3.37Å; T128-R132 PolarHBondContact O-N 3.19Å; K129-R132 PolarHBondContact O-N 3.12Å; K130-R132 PolarHBondContact O-N 2.85Å; R132-Y135 PolarHBondContact O-N 2.92Å; R132-Q136 VanDerWaalsContact O-CG 3.31Å; R132-Q136 WeakPolarHBondContact O-CG 3.38Å; R132-Q136 PolarHBondContact O-N 2.67Å
133H92.3Very high88.9Confident111 Ų11171 Ų7151%0.51435%0.349SS..Hα-helixtrans-63.8-43.6176.8-78.3-68.2000112.2K129 K130 S137K129-H133 PolarHBondContact O-CD2 2.83Å; K129-H133 PolarHBondContact O-N 3.37Å; K129-H133 VanDerWaalsContact O-N 3.1Å; K130-H133 PolarHBondContact O-N 3.48Å; H133-S137 PolarHBondContact O-N 3.4Å
134A93.1Very high87.8Confident5 Ų566 Ų664%0.04133%0.334CS..Hα-helixtrans-60.1-48.5176.100000111.1T59 K62 A63 K130 L131 Q136 S137 V138T59-A134 HydrophobicContact CG2-CB 3.99Å; T59-A134 WeakPolarHBondContact O-CB 3.37Å; K62-A134 HydrophobicContact CB-CB 3.98Å; K62-A134 HydrophobicContact CD-CB 4.46Å; K62-A134 HydrophobicContact CG-CB 3.98Å; A63-A134 HydrophobicContact CB-CB 3.85Å; K130-A134 VanDerWaalsContact O-CB 3.26Å; K130-A134 WeakPolarHBondContact O-CB 3.48Å; K130-A134 PolarHBondContact O-N 2.92Å; L131-A134 PolarHBondContact O-N 2.89Å; A134-Q136 PolarHBondContact O-N 3Å; A134-S137 PolarHBondContact O-N 3.49Å; A134-V138 WeakPolarHBondContact O-CG2 3.2Å; A134-V138 PolarHBondContact O-N 3.27Å
135Y92.9Very high86.3Confident33 Ų3371 Ų7113%0.12936%0.356CS..Hα-helixtrans-62.1-44.5-179.3-178.5-106.3000112.2I55 L103 I104 L131 R132 S137 V138 N139I55-Y135 HydrophobicContact CD1-CD2 4.38Å; I55-Y135 HydrophobicContact CD1-CE2 3.71Å; I55-Y135 HydrophobicContact CG1-CD2 4.31Å; I55-Y135 HydrophobicContact CG1-CE2 3.94Å; L103-Y135 HydrophobicContact CB-CD1 4.33Å; L103-Y135 HydrophobicContact CB-CG 4.32Å; L103-Y135 HydrophobicContact CD1-CD2 4.32Å; L103-Y135 HydrophobicContact CD1-CG 4.19Å; I104-Y135 HydrophobicContact CD1-CE2 4.11Å; I104-Y135 HydrophobicContact CG1-CE2 4.08Å; L131-Y135 VanDerWaalsContact O-CB 3.26Å; L131-Y135 WeakPolarHBondContact O-CB 3.37Å; L131-Y135 PolarHBondContact O-N 2.75Å; R132-Y135 PolarHBondContact O-N 2.92Å; Y135-S137 VanDerWaalsContact C-N 3.26Å; Y135-S137 PolarHBondContact O-N 2.92Å; Y135-V138 PolarHBondContact O-N 3.02Å; Y135-N139 HydrophobicContact CE1-CB 4.32Å; Y135-N139 HydrophobicContact CE2-CB 4.47Å; Y135-N139 WeakPolarHBondContact O-CB 3.36Å; Y135-N139 PolarHBondContact O-N 2.86Å
136Q91.2Very high84.4Confident128 Ų12870 Ų7060%0.59834%0.341SS*.Hα-helixtrans-55.9-43.8175.9-76.9173.4-1300111.6R132 A134 K140R132-Q136 VanDerWaalsContact O-CG 3.31Å; R132-Q136 WeakPolarHBondContact O-CG 3.38Å; R132-Q136 PolarHBondContact O-N 2.67Å; A134-Q136 PolarHBondContact O-N 3Å; Q136-K140 WeakPolarHBondContact O-CB 3.42Å; Q136-K140 PolarHBondContact O-N 3.21Å; Q136-K140 VanDerWaalsContact O-N 3.11Å
137S90.4Very high82Confident42 Ų4270.7 Ų70.729%0.29434%0.342SS..Hα-helixtrans-70.3-44.9179.7-173.70000112.7K62 H133 A134 Y135 K140 L141K62-S137 WeakPolarHBondContact CE-OG 3.35Å; K62-S137 PolarHBondContact NZ-OG 3.4Å; H133-S137 PolarHBondContact O-N 3.4Å; A134-S137 PolarHBondContact O-N 3.49Å; Y135-S137 VanDerWaalsContact C-N 3.26Å; Y135-S137 PolarHBondContact O-N 2.92Å; S137-K140 PolarHBondContact O-N 2.95Å; S137-L141 WeakPolarHBondContact O-CD1 3.46Å; S137-L141 PolarHBondContact O-N 3.32Å
138V89.2Confident79.5Confident7 Ų777.7 Ų77.74%0.04238%0.38CS..Hα-helixtrans-65.7-43.5178.7177.50000111.1I55 Q58 K62 A134 Y135 K140 L141 S142I55-V138 HydrophobicContact CD1-CG1 4.42Å; I55-V138 HydrophobicContact CG1-CG1 3.79Å; Q58-V138 HydrophobicContact CB-CG1 3.71Å; Q58-V138 HydrophobicContact CB-CG2 4.23Å; Q58-V138 VanDerWaalsContact OE1-CG1 3.31Å; K62-V138 HydrophobicContact CB-CG2 4.3Å; K62-V138 HydrophobicContact CD-CG2 3.9Å; A134-V138 WeakPolarHBondContact O-CG2 3.2Å; A134-V138 PolarHBondContact O-N 3.27Å; Y135-V138 PolarHBondContact O-N 3.02Å; V138-K140 VanDerWaalsContact C-N 3.32Å; V138-K140 PolarHBondContact O-N 2.94Å; V138-L141 WeakPolarHBondContact O-CB 3.39Å; V138-L141 PolarHBondContact O-N 3.44Å; V138-S142 PolarHBondContact O-N 2.92Å
139N87.3Confident77Confident36 Ų3686.7 Ų86.719%0.19341%0.411CS..Hα-helixtrans-64.9-35.8179-167.720.7000111.8I55 Y135 S142 K143I55-N139 HydrophobicContact CD1-CB 3.97Å; Y135-N139 HydrophobicContact CE1-CB 4.32Å; Y135-N139 HydrophobicContact CE2-CB 4.47Å; Y135-N139 WeakPolarHBondContact O-CB 3.36Å; Y135-N139 PolarHBondContact O-N 2.86Å; N139-S142 PolarHBondContact O-N 3.2Å; N139-S142 PolarHBondContact O-OG 3.45Å; N139-K143 WeakPolarHBondContact O-CB 3.18Å; N139-K143 VanDerWaalsContact O-CG 3.28Å; N139-K143 WeakPolarHBondContact O-CG 3.09Å; N139-K143 PolarHBondContact O-N 3.2Å
140K87.2Confident74.2Confident165 Ų16583.6 Ų83.672%0.71742%0.417SS*.Hα-helixtrans-62.7-45.1173.5-170.5176.7-179.3-179.40111.3Q136 S137 V138 K143 S144Q136-K140 WeakPolarHBondContact O-CB 3.42Å; Q136-K140 PolarHBondContact O-N 3.21Å; Q136-K140 VanDerWaalsContact O-N 3.11Å; S137-K140 PolarHBondContact O-N 2.95Å; V138-K140 VanDerWaalsContact C-N 3.32Å; V138-K140 PolarHBondContact O-N 2.94Å; K140-K143 PolarHBondContact O-N 2.86Å; K140-S144 PolarHBondContact O-N 3.25Å; K140-S144 VanDerWaalsContact O-N 3.08Å; K140-S144 PolarHBondContact O-OG 2.86Å
141L82.7Confident71.1Confident91 Ų9185.4 Ų85.448%0.47643%0.427SS..Hα-helixtrans-63.6-43.2176.2-74.8156.6000112.2S137 V138 S144 Q145S137-L141 WeakPolarHBondContact O-CD1 3.46Å; S137-L141 PolarHBondContact O-N 3.32Å; V138-L141 WeakPolarHBondContact O-CB 3.39Å; V138-L141 PolarHBondContact O-N 3.44Å; L141-S144 WeakPolarHBondContact CA-OG 3.49Å; L141-S144 PolarHBondContact O-N 3.22Å; L141-S144 PolarHBondContact O-OG 3.42Å; L141-Q145 WeakPolarHBondContact O-CG 3.34Å; L141-Q145 PolarHBondContact O-N 3.17Å; L141-Q145 VanDerWaalsContact O-N 3.13Å
142S74.7Confident68.3Low32 Ų3292.1 Ų92.122%0.22446%0.463CS..Hα-helixtrans-67.5-39.6179.279.10000111.5V138 N139 Q145 T146V138-S142 PolarHBondContact O-N 2.92Å; N139-S142 PolarHBondContact O-N 3.2Å; N139-S142 PolarHBondContact O-OG 3.45Å; S142-Q145 PolarHBondContact O-N 2.83Å; S142-T146 WeakPolarHBondContact O-CB 3.37Å; S142-T146 PolarHBondContact O-N 3.16Å; S142-T146 PolarHBondContact O-OG1 3.29Å
143K72.9Confident66.1Low117 Ų11796 Ų9651%0.50948%0.483SS..Hα-helixtrans-60.9-50.7174.7-76.6-179.7-179.8-172.40111N139 K140 Q145 T146 E147N139-K143 WeakPolarHBondContact O-CB 3.18Å; N139-K143 VanDerWaalsContact O-CG 3.28Å; N139-K143 WeakPolarHBondContact O-CG 3.09Å; N139-K143 PolarHBondContact O-N 3.2Å; K140-K143 PolarHBondContact O-N 2.86Å; K143-Q145 VanDerWaalsContact C-N 3.25Å; K143-Q145 PolarHBondContact O-N 3.23Å; K143-T146 CarbonylContact O-C 3.51Å; K143-T146 WeakPolarHBondContact O-CA 3.27Å; K143-T146 PolarHBondContact O-N 2.79Å; K143-E147 VanDerWaalsContact O-CG 3.3Å; K143-E147 WeakPolarHBondContact O-CG 3.37Å; K143-E147 PolarHBondContact O-N 2.96Å
144S65.2Low64.2Low55 Ų5592.6 Ų92.639%0.38548%0.477SS..Hα-helixtrans-58.8-34.8178.252.70000113.6K140 L141K140-S144 PolarHBondContact O-N 3.25Å; K140-S144 VanDerWaalsContact O-N 3.08Å; K140-S144 PolarHBondContact O-OG 2.86Å; L141-S144 WeakPolarHBondContact CA-OG 3.49Å; L141-S144 PolarHBondContact O-N 3.22Å; L141-S144 PolarHBondContact O-OG 3.42Å
145Q58.3Low63Low138 Ų13899 Ų9965%0.64551%0.51SS*.Hα-helixtrans-71.9-33.7174.6-72.2179-0.500112.7L141 S142 K143 R149L141-Q145 WeakPolarHBondContact O-CG 3.34Å; L141-Q145 PolarHBondContact O-N 3.17Å; L141-Q145 VanDerWaalsContact O-N 3.13Å; S142-Q145 PolarHBondContact O-N 2.83Å; K143-Q145 VanDerWaalsContact C-N 3.25Å; K143-Q145 PolarHBondContact O-N 3.23Å; Q145-R149 PolarHBondContact O-N 3.36Å
146T49.5Very low62.7Low66 Ų6698 Ų9841%0.40551%0.506SS..Hα-helixtrans-76.7-31.7179.3-46.30000111.4S142 K143 N148 R149S142-T146 WeakPolarHBondContact O-CB 3.37Å; S142-T146 PolarHBondContact O-N 3.16Å; S142-T146 PolarHBondContact O-OG1 3.29Å; K143-T146 CarbonylContact O-C 3.51Å; K143-T146 WeakPolarHBondContact O-CA 3.27Å; K143-T146 PolarHBondContact O-N 2.79Å; T146-N148 VanDerWaalsContact C-N 3.33Å; T146-N148 PolarHBondContact O-N 2.9Å; T146-R149 CarbonylContact O-C 3.38Å; T146-R149 PolarHBondContact O-N 2.72Å; T146-R149 VanDerWaalsContact O-N 3.14Å; T146-R149 VanDerWaalsContact O-O 3.08Å
147E42.3Very low62.6Low113 Ų11392.2 Ų92.253%0.52848%0.48SS..Hα-helixtrans-66.3-35176.6-67.1-175.2157.200112.3K143 R149 Q151K143-E147 VanDerWaalsContact O-CG 3.3Å; K143-E147 WeakPolarHBondContact O-CG 3.37Å; K143-E147 PolarHBondContact O-N 2.96Å; E147-R149 VanDerWaalsContact C-N 3.32Å; E147-Q151 HydrophobicContact CB-CG 4.48Å; E147-Q151 HydrophobicContact CG-CG 4.19Å; E147-Q151 PolarHBondContact OE1-NE2 3.41Å
148N38.2Very low62.6Low149 Ų14991.7 Ų91.780%0.79748%0.476SS*.Hα-helixtrans-75.2-19.6172.7-72.4-20.1000113.5T146T146-N148 VanDerWaalsContact C-N 3.33Å; T146-N148 PolarHBondContact O-N 2.9Å
149R38.1Very low62.9Low209 Ų20991.4 Ų91.479%0.78948%0.475SS*.THydrogen-bonded Turntrans-101.465.6170.9-75.8-174.7174-179.2-0.4109.9Q145 T146 E147Q145-R149 PolarHBondContact O-N 3.36Å; T146-R149 CarbonylContact O-C 3.38Å; T146-R149 PolarHBondContact O-N 2.72Å; T146-R149 VanDerWaalsContact O-N 3.14Å; T146-R149 VanDerWaalsContact O-O 3.08Å; E147-R149 VanDerWaalsContact C-N 3.32Å
150G32.3Very low63.4Low69 Ų6989.7 Ų89.771%0.71147%0.465SS*.THydrogen-bonded Turntrans38.985.4165.900000114.8N152G150-N152 PolarHBondContact O-N 2.96Å
151Q28.9Very low63.9Low126 Ų12682 Ų8259%0.58943%0.432SS*.SBendtrans-43.9106.3174.5-68.4173-28.800112.9E147E147-Q151 HydrophobicContact CB-CG 4.48Å; E147-Q151 HydrophobicContact CG-CG 4.19Å; E147-Q151 PolarHBondContact OE1-NE2 3.41Å
152N35.3Very low64.6Low140 Ų14077.6 Ų77.675%0.74941%0.409SS*.  trans175.289.9131.9-89-27.4000107.1G150 G154G150-N152 PolarHBondContact O-N 2.96Å; N152-G154 PolarHBondContact O-N 2.93Å
153K46Very low65.7Low185 Ų18576.1 Ų76.180%0.80440%0.398SS*.  trans-6863.4148.6-81-170.2173.7-171.20107.1
154G52.3Low66.8Low38 Ų3874.2 Ų74.239%0.39239%0.39SS..PPolyproline II helixtrans-74.4127.4-17800000107.7N152 L156N152-G154 PolarHBondContact O-N 2.93Å; G154-L156 PolarHBondContact O-N 2.89Å
155L69Low68.2Low139 Ų13973.4 Ų73.473%0.72838%0.381SS*.PPolyproline II helixtrans-59.2125.9174.1-63.7157.1000108.4S223L155-S223 WeakPolarHBondContact CB-OG 3.46Å
156L84.9Confident70Confident12 Ų1271.1 Ų71.16%0.06337%0.369CS..PPolyproline II helixtrans-57.7145.1177-69.3177.8000110.6G154 S223 I371 E505 N510G154-L156 PolarHBondContact O-N 2.89Å; L156-S223 WeakPolarHBondContact O-CB 3.47Å; L156-S223 PolarHBondContact O-OG 2.92Å; L156-I371 HydrophobicContact CD1-CD1 3.71Å; L156-I371 HydrophobicContact CD2-CD1 4.14Å; L156-I371 HydrophobicContact CG-CD1 3.78Å; L156-I371 HydrophobicContact CG-CG2 4.39Å; L156-E505 HydrophobicContact CD2-CB 4.22Å; L156-N510 WeakPolarHBondContact CD1-OD1 3.37Å
157P90.6Very high72.2Confident8 Ų869 Ų695%0.05236%0.356CS..PPolyproline II helixtrans-61.2158.5170.928-34.6000110.9Y159 V200 V220 F221 L508P157-Y159 HydrophobicContact CG-CE2 3.73Å; P157-V200 HydrophobicContact CB-CG1 3.77Å; P157-V200 HydrophobicContact CG-CG1 3.92Å; P157-V220 HydrophobicContact CB-CG1 3.81Å; P157-V220 HydrophobicContact CG-CG1 4.2Å; P157-F221 WeakPolarHBondContact CA-O 3.39Å; P157-F221 VanDerWaalsContact CB-O 3.23Å; P157-F221 WeakPolarHBondContact CB-O 3.41Å; P157-L508 HydrophobicContact CG-CB 3.87Å; P157-L508 HydrophobicContact CG-CD1 4.44Å
158C90.4Very high74.8Confident30 Ų3070.6 Ų70.620%0.20336%0.362CS..EExtended strand (participates in β ladder)trans-89.8124.1173.8-68.10000108.9F221 L227C158-F221 HydrophobicContact CB-CB 4.21Å; C158-F221 PolarHBondContact N-O 2.94Å; C158-F221 PolarHBondContact O-N 3.26Å; C158-L227 HydrophobicContact CB-CD1 3.99Å
159Y95.7Very high77.6Confident2 Ų265 Ų651%0.00833%0.331CS..EExtended strand (participates in β ladder)trans-102.4144.5174.8-66.5-84.7000110.9P157 L218 L219 V220 Q241 K243 L508P157-Y159 HydrophobicContact CG-CE2 3.73Å; Y159-L218 HydrophobicContact CD1-CD2 3.55Å; Y159-L218 HydrophobicContact CD1-CG 4.01Å; Y159-L218 HydrophobicContact CE1-CD2 4.17Å; Y159-L218 HydrophobicContact CG-CD2 4.22Å; Y159-L219 WeakPolarHBondContact CA-O 3.28Å; Y159-V220 HydrophobicContact CD1-CB 4.3Å; Y159-V220 HydrophobicContact CD1-CG1 4.15Å; Y159-V220 HydrophobicContact CD1-CG2 3.76Å; Y159-V220 HydrophobicContact CE1-CB 4.17Å; Y159-V220 HydrophobicContact CE1-CG1 3.74Å; Y159-V220 HydrophobicContact CE1-CG2 3.51Å; Y159-Q241 WeakPolarHBondContact CB-O 3.33Å; Y159-Q241 PolarHBondContact O-N 3.06Å; Y159-K243 HydrophobicContact CD1-CB 3.93Å; Y159-K243 HydrophobicContact CD2-CB 4.06Å; Y159-K243 HydrophobicContact CE1-CB 3.79Å; Y159-K243 HydrophobicContact CE1-CD 3.81Å; Y159-K243 HydrophobicContact CE1-CG 4.34Å; Y159-K243 HydrophobicContact CE2-CB 3.93Å; Y159-K243 HydrophobicContact CG-CB 4.04Å; Y159-L508 WeakPolarHBondContact CE2-O 3.48Å; Y159-L508 PolarHBondContact OH-O 3.23Å
160A96.3Very high80.5Confident0 Ų058.2 Ų58.20%032%0.32CS..EExtended strand (participates in β ladder)trans-138.6122.1178.100000110L219 F221 L227 L238 L239A160-L219 PolarHBondContact N-O 3.46Å; A160-L219 PolarHBondContact O-N 3.03Å; A160-F221 HydrophobicContact CB-CD2 4.31Å; A160-F221 HydrophobicContact CB-CE2 3.79Å; A160-L227 HydrophobicContact CB-CD1 3.94Å; A160-L238 HydrophobicContact CB-CD1 3.7Å; A160-L238 HydrophobicContact CB-CD2 3.56Å; A160-L238 HydrophobicContact CB-CG 3.55Å; A160-L239 CarbonylContact C-O 3.51Å; A160-L239 WeakPolarHBondContact CA-O 3.41Å
161R97.9Very high83.6Confident2 Ų258.2 Ų58.21%0.00830%0.304CS..EExtended strand (participates in β ladder)trans-92.1135.3178.8177.2170.269.278.8-8109.8L217 L218 L239 N269R161-L217 WeakPolarHBondContact CA-O 3.42Å; R161-L217 HydrophobicContact CB-CD1 4.27Å; R161-L217 HydrophobicContact CG-CD1 3.58Å; R161-L218 HydrophobicContact CB-CD1 3.93Å; R161-L239 PolarHBondContact N-O 3.31Å; R161-L239 PolarHBondContact O-N 2.93Å; R161-N269 PolarHBondContact NH2-O 2.92Å
162V98Very high86.8Confident0 Ų052.2 Ų52.20%028%0.276CS..EExtended strand (participates in β ladder)trans-66.2133.8172.3-179.60000110F164 T167 L169 V172 L217 L219V162-F164 HydrophobicContact CB-CE1 4.22Å; V162-F164 HydrophobicContact CB-CE2 4.32Å; V162-F164 HydrophobicContact CB-CZ 4Å; V162-F164 HydrophobicContact CG1-CD1 3.99Å; V162-F164 HydrophobicContact CG1-CE1 3.77Å; V162-F164 HydrophobicContact CG1-CG 4.48Å; V162-F164 HydrophobicContact CG1-CZ 4.08Å; V162-F164 PolarHBondContact O-N 3.4Å; V162-T167 HydrophobicContact CG1-CG2 3.89Å; V162-L169 HydrophobicContact CG2-CB 4.39Å; V162-L169 HydrophobicContact CG2-CD1 3.61Å; V162-V172 HydrophobicContact CG1-CG2 4.05Å; V162-V172 HydrophobicContact CG2-CB 4.46Å; V162-V172 HydrophobicContact CG2-CG1 4.43Å; V162-V172 HydrophobicContact CG2-CG2 4.29Å; V162-L217 PolarHBondContact N-O 2.88Å; V162-L219 HydrophobicContact CG2-CD1 3.57Å
163N97.7Very high89.8Confident0 Ų046.8 Ų46.80%025%0.246CC..  trans-88.194.1170.7-175.69000110.1L165 K166 T167 K236 S237 L239 N304N163-L165 PolarHBondContact O-N 3.45Å; N163-L165 WeakPolarHBondContact OD1-CB 3.39Å; N163-L165 WeakPolarHBondContact OD1-CG 3.4Å; N163-L165 PolarHBondContact OD1-N 3.41Å; N163-K166 PolarHBondContact O-N 2.85Å; N163-T167 PolarHBondContact O-N 3.01Å; N163-T167 VanDerWaalsContact O-N 3.16Å; N163-K236 WeakPolarHBondContact CB-O 3.37Å; N163-K236 PolarHBondContact ND2-O 2.71Å; N163-S237 PolarHBondContact N-O 3.03Å; N163-L239 HydrophobicContact CB-CD1 4.01Å; N163-L239 HydrophobicContact CB-CD2 4.44Å; N163-L239 HydrophobicContact CB-CG 4.03Å; N163-N304 PolarHBondContact ND2-O 2.91Å
164F96.6Very high92.3Very high78 Ų7844 Ų4434%0.34224%0.236SC..THydrogen-bonded Turntrans-64.4-8.8179.7-68.8-62.3000115.1V162 K166 T167 L169 H216 L217V162-F164 HydrophobicContact CB-CE1 4.22Å; V162-F164 HydrophobicContact CB-CE2 4.32Å; V162-F164 HydrophobicContact CB-CZ 4Å; V162-F164 HydrophobicContact CG1-CD1 3.99Å; V162-F164 HydrophobicContact CG1-CE1 3.77Å; V162-F164 HydrophobicContact CG1-CG 4.48Å; V162-F164 HydrophobicContact CG1-CZ 4.08Å; V162-F164 PolarHBondContact O-N 3.4Å; F164-K166 VanDerWaalsContact C-N 3.3Å; F164-T167 WeakPolarHBondContact CA-O 3.49Å; F164-L169 HydrophobicContact CE1-CB 4.33Å; F164-H216 VanDerWaalsContact CZ-O 3.3Å; F164-H216 WeakPolarHBondContact CZ-O 3.35Å; F164-L217 HydrophobicContact CE2-CB 3.76Å; F164-L217 HydrophobicContact CZ-CB 4.28Å
165L94.7Very high94.4Very high37 Ų3746.8 Ų46.819%0.19424%0.237CC..THydrogen-bonded Turntrans-75.6-20.1170.9-52.5-178.9000112.8N163 L272 I275 V306N163-L165 PolarHBondContact O-N 3.45Å; N163-L165 WeakPolarHBondContact OD1-CB 3.39Å; N163-L165 WeakPolarHBondContact OD1-CG 3.4Å; N163-L165 PolarHBondContact OD1-N 3.41Å; L165-L272 HydrophobicContact CD1-CD2 4.05Å; L165-I275 HydrophobicContact CD1-CB 4.36Å; L165-I275 HydrophobicContact CD1-CD1 4.35Å; L165-I275 HydrophobicContact CD1-CG2 3.99Å; L165-I275 HydrophobicContact CD2-CB 4.21Å; L165-I275 HydrophobicContact CD2-CG2 3.51Å; L165-I275 HydrophobicContact CG-CG2 4.39Å; L165-V306 HydrophobicContact CD1-CG2 4.01Å
166K94.9Very high95.7Very high90 Ų9040.2 Ų40.239%0.39120%0.203SC..THydrogen-bonded Turntrans-118.2-24.1-175.3-68.7-159.5-178.8-167.20114.6N163 F164 S235 K236 V303 N304N163-K166 PolarHBondContact O-N 2.85Å; F164-K166 VanDerWaalsContact C-N 3.3Å; K166-S235 VanDerWaalsContact CD-O 3.32Å; K166-S235 WeakPolarHBondContact CD-O 3.47Å; K166-S235 PolarHBondContact NZ-O 3.36Å; K166-K236 HydrophobicContact CD-CB 4.05Å; K166-V303 WeakPolarHBondContact CE-O 3.23Å; K166-V303 PolarHBondContact NZ-O 3.46Å; K166-N304 VanDerWaalsContact CE-C 3.42Å; K166-N304 WeakPolarHBondContact CE-O 3.36Å
167T96.4Very high96.2Very high22 Ų2244 Ų4414%0.13522%0.22CC..  trans-159.2170-170.6-169.70000111.4V162 N163 F164 D171 V172 S237V162-T167 HydrophobicContact CG1-CG2 3.89Å; N163-T167 PolarHBondContact O-N 3.01Å; N163-T167 VanDerWaalsContact O-N 3.16Å; F164-T167 WeakPolarHBondContact CA-O 3.49Å; T167-D171 PolarHBondContact OG1-OD2 3.07Å; T167-V172 HydrophobicContact CG2-CG2 3.5Å; T167-V172 VanDerWaalsContact CG2-CG2 3.5Å; T167-S237 WeakPolarHBondContact CG2-O 3.31Å
168K96.8Very high96.4Very high147 Ų14748.6 Ų48.664%0.63925%0.248SC*.  trans-103.3161.4170.8-59.9176.1-177.3175.30110.5A170 D171 V172K168-A170 VanDerWaalsContact C-N 3.27Å; K168-A170 PolarHBondContact O-N 2.92Å; K168-D171 WeakPolarHBondContact CB-OD2 3.26Å; K168-D171 PolarHBondContact N-OD2 3.29Å; K168-D171 VanDerWaalsContact N-OD2 3.12Å; K168-D171 PolarHBondContact O-N 3.27Å; K168-V172 WeakPolarHBondContact O-CG2 3.26Å; K168-V172 PolarHBondContact O-N 3.42Å
169L97.6Very high96.5Very high31 Ų3150.3 Ų50.316%0.16226%0.26CS..Hα-helixtrans-58.7-40.4177.2174.463.7000111.9V162 F164 V172 I173 L210 P215 L219V162-L169 HydrophobicContact CG2-CB 4.39Å; V162-L169 HydrophobicContact CG2-CD1 3.61Å; F164-L169 HydrophobicContact CE1-CB 4.33Å; L169-V172 PolarHBondContact O-N 2.98Å; L169-I173 HydrophobicContact CD1-CD1 4.05Å; L169-I173 HydrophobicContact CD1-CG1 4.22Å; L169-I173 HydrophobicContact CG-CD1 3.93Å; L169-I173 HydrophobicContact CG-CG1 4.5Å; L169-I173 WeakPolarHBondContact O-CG1 3.14Å; L169-I173 PolarHBondContact O-N 2.83Å; L169-L210 HydrophobicContact CD1-CD2 4.03Å; L169-L210 HydrophobicContact CD2-CD2 4.38Å; L169-P215 WeakPolarHBondContact CD2-O 3.34Å; L169-L219 HydrophobicContact CD1-CD1 3.93Å
170A97.5Very high96.3Very high66 Ų6653.2 Ų53.255%0.54529%0.291SS..Hα-helixtrans-58.5-49.3179.200000111.8K168 V172 I173 E174K168-A170 VanDerWaalsContact C-N 3.27Å; K168-A170 PolarHBondContact O-N 2.92Å; A170-V172 VanDerWaalsContact C-N 3.29Å; A170-V172 PolarHBondContact O-N 2.94Å; A170-I173 WeakPolarHBondContact O-CB 3.21Å; A170-I173 PolarHBondContact O-N 2.84Å; A170-I173 VanDerWaalsContact O-N 3.13Å; A170-E174 PolarHBondContact O-N 2.97Å
171D97.5Very high96.3Very high70 Ų7054.8 Ų54.837%0.37430%0.298SS..Hα-helixtrans-62.6-36.5179.7-38.9-28.1000111.8T167 K168 K175T167-D171 PolarHBondContact OG1-OD2 3.07Å; K168-D171 WeakPolarHBondContact CB-OD2 3.26Å; K168-D171 PolarHBondContact N-OD2 3.29Å; K168-D171 VanDerWaalsContact N-OD2 3.12Å; K168-D171 PolarHBondContact O-N 3.27Å; D171-K175 VanDerWaalsContact O-CB 3.25Å; D171-K175 WeakPolarHBondContact O-CB 3.48Å; D171-K175 PolarHBondContact O-N 3Å
172V97.6Very high96.2Very high0 Ų061.1 Ų61.10%033%0.325CS..Hα-helixtrans-63.9-44.5175170.40000111.1V162 T167 K168 L169 A170 K175 L176 L219 L232 L238V162-V172 HydrophobicContact CG1-CG2 4.05Å; V162-V172 HydrophobicContact CG2-CB 4.46Å; V162-V172 HydrophobicContact CG2-CG1 4.43Å; V162-V172 HydrophobicContact CG2-CG2 4.29Å; T167-V172 HydrophobicContact CG2-CG2 3.5Å; T167-V172 VanDerWaalsContact CG2-CG2 3.5Å; K168-V172 WeakPolarHBondContact O-CG2 3.26Å; K168-V172 PolarHBondContact O-N 3.42Å; L169-V172 PolarHBondContact O-N 2.98Å; A170-V172 VanDerWaalsContact C-N 3.29Å; A170-V172 PolarHBondContact O-N 2.94Å; V172-K175 PolarHBondContact O-N 3.48Å; V172-L176 HydrophobicContact CG1-CD1 4.07Å; V172-L176 WeakPolarHBondContact O-CB 3.49Å; V172-L176 VanDerWaalsContact O-CG 3.31Å; V172-L176 WeakPolarHBondContact O-CG 3.37Å; V172-L176 PolarHBondContact O-N 3Å; V172-L219 HydrophobicContact CG1-CD1 4.44Å; V172-L219 HydrophobicContact CG1-CD2 4.13Å; V172-L232 HydrophobicContact CG1-CD1 4.3Å; V172-L232 HydrophobicContact CG2-CD2 4.4Å; V172-L238 HydrophobicContact CG1-CD1 4.1Å
173I97.7Very high96.2Very high25 Ų2562.6 Ų62.613%0.12833%0.332CS..Hα-helixtrans-62.2-50.5178-68.6169.3000109.7L169 A170 K175 L176 E177 F208 L210L169-I173 HydrophobicContact CD1-CD1 4.05Å; L169-I173 HydrophobicContact CD1-CG1 4.22Å; L169-I173 HydrophobicContact CG-CD1 3.93Å; L169-I173 HydrophobicContact CG-CG1 4.5Å; L169-I173 WeakPolarHBondContact O-CG1 3.14Å; L169-I173 PolarHBondContact O-N 2.83Å; A170-I173 WeakPolarHBondContact O-CB 3.21Å; A170-I173 PolarHBondContact O-N 2.84Å; A170-I173 VanDerWaalsContact O-N 3.13Å; I173-K175 VanDerWaalsContact C-N 3.29Å; I173-K175 PolarHBondContact O-N 2.93Å; I173-L176 WeakPolarHBondContact O-CB 3.12Å; I173-L176 PolarHBondContact O-N 3.17Å; I173-L176 VanDerWaalsContact O-N 3.13Å; I173-E177 WeakPolarHBondContact O-CG 3.04Å; I173-E177 PolarHBondContact O-N 3.03Å; I173-F208 HydrophobicContact CG1-CE2 4.33Å; I173-F208 HydrophobicContact CG2-CZ 4.25Å; I173-L210 HydrophobicContact CD1-CD2 4.23Å
174E97.4Very high96.2Very high126 Ų12664.1 Ų64.159%0.58934%0.341SS*.Hα-helixtrans-57.3-43.1178.3-175.2-172.7163.100111.7A170 L176 E177 T178A170-E174 PolarHBondContact O-N 2.97Å; E174-L176 PolarHBondContact O-N 3.07Å; E174-E177 PolarHBondContact O-N 2.68Å; E174-T178 WeakPolarHBondContact O-CB 3.49Å; E174-T178 PolarHBondContact O-N 3.38Å; E174-T178 PolarHBondContact O-OG1 3.04Å
175K96.5Very high96.1Very high97 Ų9767.9 Ų67.942%0.42236%0.357SS..Hα-helixtrans-68.4-35.1179-171.561172.7-175.10112.6D171 V172 I173 C179 L232D171-K175 VanDerWaalsContact O-CB 3.25Å; D171-K175 WeakPolarHBondContact O-CB 3.48Å; D171-K175 PolarHBondContact O-N 3Å; V172-K175 PolarHBondContact O-N 3.48Å; I173-K175 VanDerWaalsContact C-N 3.29Å; I173-K175 PolarHBondContact O-N 2.93Å; K175-C179 PolarHBondContact O-N 3.05Å; K175-C179 VanDerWaalsContact O-N 3.14Å; K175-C179 PolarHBondContact O-SG 2.93Å; K175-L232 HydrophobicContact CB-CD1 4.18Å; K175-L232 HydrophobicContact CB-CD2 4.01Å; K175-L232 HydrophobicContact CB-CG 4.37Å; K175-L232 HydrophobicContact CG-CD1 4.09Å; K175-L232 HydrophobicContact CG-CD2 3.8Å; K175-L232 HydrophobicContact CG-CG 3.9Å
176L96.7Very high96.1Very high1 Ų168.3 Ų68.31%0.00536%0.357CS..Hα-helixtrans-65.4-46.2173.3-76.8170000110.6V172 I173 E174 T178 C179 G180 F181 F208 L219 F221 L230 L232V172-L176 HydrophobicContact CG1-CD1 4.07Å; V172-L176 WeakPolarHBondContact O-CB 3.49Å; V172-L176 VanDerWaalsContact O-CG 3.31Å; V172-L176 WeakPolarHBondContact O-CG 3.37Å; V172-L176 PolarHBondContact O-N 3Å; I173-L176 WeakPolarHBondContact O-CB 3.12Å; I173-L176 PolarHBondContact O-N 3.17Å; I173-L176 VanDerWaalsContact O-N 3.13Å; E174-L176 PolarHBondContact O-N 3.07Å; L176-T178 VanDerWaalsContact C-N 3.34Å; L176-T178 PolarHBondContact O-N 2.89Å; L176-C179 CarbonylContact O-C 3.49Å; L176-C179 WeakPolarHBondContact O-CA 3.27Å; L176-C179 WeakPolarHBondContact O-CB 3.17Å; L176-C179 PolarHBondContact O-N 3.4Å; L176-G180 PolarHBondContact O-N 2.88Å; L176-F181 HydrophobicContact CB-CB 4.09Å; L176-F181 HydrophobicContact CD2-CD2 4.16Å; L176-F181 HydrophobicContact CD2-CG 4.22Å; L176-F181 WeakPolarHBondContact O-CB 3.45Å; L176-F181 PolarHBondContact O-N 3.44Å; L176-F208 HydrophobicContact CB-CE1 3.91Å; L176-F208 HydrophobicContact CB-CZ 4.08Å; L176-F208 HydrophobicContact CD1-CD1 4.41Å; L176-F208 HydrophobicContact CD1-CD2 4.28Å; L176-F208 HydrophobicContact CD1-CE1 4.16Å; L176-F208 HydrophobicContact CD1-CE2 4.02Å; L176-F208 HydrophobicContact CD1-CG 4.45Å; L176-F208 HydrophobicContact CD1-CZ 3.95Å; L176-L219 HydrophobicContact CD1-CD2 3.45Å; L176-L219 VanDerWaalsContact CD1-CD2 3.45Å; L176-F221 HydrophobicContact CD1-CE1 4.39Å; L176-F221 HydrophobicContact CD1-CZ 3.93Å; L176-F221 HydrophobicContact CD2-CE1 4.35Å; L176-F221 HydrophobicContact CD2-CZ 4.35Å; L176-L230 HydrophobicContact CD2-CD1 4.1Å; L176-L232 HydrophobicContact CD2-CD1 3.68Å; L176-L232 HydrophobicContact CG-CD1 3.63Å
177E96.6Very high96Very high92 Ų9267.8 Ų67.843%0.4336%0.358SS..Hα-helixtrans-60.4-43.4178-70179.4157.200112I173 E174 C179 G180 F181I173-E177 WeakPolarHBondContact O-CG 3.04Å; I173-E177 PolarHBondContact O-N 3.03Å; E174-E177 PolarHBondContact O-N 2.68Å; E177-C179 PolarHBondContact O-N 3.27Å; E177-G180 PolarHBondContact O-N 3.16Å; E177-F181 VanDerWaalsContact CA-O 3.31Å; E177-F181 WeakPolarHBondContact CA-O 3.37Å
178T94.7Very high95.7Very high104 Ų10469.5 Ų69.564%0.63836%0.362SS*.Hα-helixtrans-61.8-30.4173.5-55.30000112.6E174 L176 G180E174-T178 WeakPolarHBondContact O-CB 3.49Å; E174-T178 PolarHBondContact O-N 3.38Å; E174-T178 PolarHBondContact O-OG1 3.04Å; L176-T178 VanDerWaalsContact C-N 3.34Å; L176-T178 PolarHBondContact O-N 2.89Å; T178-G180 PolarHBondContact O-N 3.26Å
179C91.3Very high95.2Very high67 Ų6766.7 Ų66.745%0.45336%0.361SS..THydrogen-bonded Turntrans-82.19175-660000113.4K175 L176 E177 F181K175-C179 PolarHBondContact O-N 3.05Å; K175-C179 VanDerWaalsContact O-N 3.14Å; K175-C179 PolarHBondContact O-SG 2.93Å; L176-C179 CarbonylContact O-C 3.49Å; L176-C179 WeakPolarHBondContact O-CA 3.27Å; L176-C179 WeakPolarHBondContact O-CB 3.17Å; L176-C179 PolarHBondContact O-N 3.4Å; E177-C179 PolarHBondContact O-N 3.27Å; C179-F181 HydrophobicContact CB-CD2 4.22Å
180G92.4Very high94.8Very high63 Ų6372.1 Ų72.165%0.64939%0.386SS*.THydrogen-bonded Turntrans82.810.8179.300000114.7L176 E177 T178L176-G180 PolarHBondContact O-N 2.88Å; E177-G180 PolarHBondContact O-N 3.16Å; T178-G180 PolarHBondContact O-N 3.26Å
181F94.9Very high94.5Very high33 Ų3369.6 Ų69.615%0.14536%0.364CS..  trans-80.3147.2170.3-74.7-103.9000110.9L176 E177 C179 G206 F208 F221 T225 L230L176-F181 HydrophobicContact CB-CB 4.09Å; L176-F181 HydrophobicContact CD2-CD2 4.16Å; L176-F181 HydrophobicContact CD2-CG 4.22Å; L176-F181 WeakPolarHBondContact O-CB 3.45Å; L176-F181 PolarHBondContact O-N 3.44Å; E177-F181 VanDerWaalsContact CA-O 3.31Å; E177-F181 WeakPolarHBondContact CA-O 3.37Å; C179-F181 HydrophobicContact CB-CD2 4.22Å; F181-G206 CarbonylContact C-O 3.58Å; F181-G206 WeakPolarHBondContact CA-O 3.38Å; F181-G206 WeakPolarHBondContact CB-O 3.36Å; F181-G206 WeakPolarHBondContact CD1-O 3.39Å; F181-F208 HydrophobicContact CB-CD1 3.88Å; F181-F208 HydrophobicContact CB-CE1 3.95Å; F181-F221 HydrophobicContact CD1-CD1 4.37Å; F181-F221 HydrophobicContact CD1-CE1 4.07Å; F181-F221 HydrophobicContact CE1-CD1 4.18Å; F181-F221 HydrophobicContact CE1-CE1 4.09Å; F181-T225 HydrophobicContact CE1-CG2 4.26Å; F181-L230 HydrophobicContact CE2-CD1 4.44Å; F181-L230 HydrophobicContact CE2-CD2 3.69Å; F181-L230 HydrophobicContact CZ-CD1 4.26Å; F181-L230 HydrophobicContact CZ-CD2 3.98Å
182K96.8Very high94.2Very high135 Ų13569 Ų6959%0.58737%0.365SS*.EExtended strand (participates in β ladder)trans-113.3125.7177.8-176.5-176175.7-170.30110.7V184 G206 E207 F208K182-V184 PolarHBondContact O-N 3.46Å; K182-G206 PolarHBondContact N-O 3.36Å; K182-E207 WeakPolarHBondContact O-CA 3.33Å; K182-F208 WeakPolarHBondContact O-CD1 3.4Å; K182-F208 PolarHBondContact O-N 3.01Å
183Q97.6Very high93.9Very high30 Ų3070.1 Ų70.114%0.1437%0.369CS..EExtended strand (participates in β ladder)trans-76.3119172.1-166.8-175.117.300110.6K185 F208Q183-K185 HydrophobicContact CG-CG 4.28Å; Q183-K185 PolarHBondContact O-N 3.28Å; Q183-K185 VanDerWaalsContact OE1-CE 3.24Å; Q183-F208 CarbonylContact C-O 3.14Å; Q183-F208 WeakPolarHBondContact CA-O 3.07Å; Q183-F208 HydrophobicContact CB-CE1 3.9Å; Q183-F208 HydrophobicContact CB-CE2 3.99Å; Q183-F208 HydrophobicContact CB-CZ 3.59Å; Q183-F208 HydrophobicContact CG-CD2 4.32Å; Q183-F208 HydrophobicContact CG-CE2 3.77Å; Q183-F208 HydrophobicContact CG-CZ 3.92Å
184V97.2Very high93.5Very high32 Ų3277 Ų7719%0.19439%0.393CS..  trans-88.3106.2170.1177.60000108.7K182 L203 E207 F208 M209K182-V184 PolarHBondContact O-N 3.46Å; V184-L203 HydrophobicContact CB-CD2 3.95Å; V184-L203 HydrophobicContact CG1-CD2 4.43Å; V184-L203 HydrophobicContact CG2-CD2 3.78Å; V184-E207 HydrophobicContact CG2-CB 4Å; V184-E207 HydrophobicContact CG2-CG 4.17Å; V184-F208 PolarHBondContact N-O 3.32Å; V184-M209 HydrophobicContact CB-CG 3.89Å; V184-M209 HydrophobicContact CG1-CG 4.35Å; V184-M209 HydrophobicContact CG1-SD 4.45Å; V184-M209 WeakPolarHBondContact O-CG 3.3Å
185K96Very high93.3Very high157 Ų15776.8 Ų76.868%0.68339%0.391SS*.  trans-82155.6-179.6-62.3-177.6-178.4178.30111.7Q183Q183-K185 HydrophobicContact CG-CG 4.28Å; Q183-K185 PolarHBondContact O-N 3.28Å; Q183-K185 VanDerWaalsContact OE1-CE 3.24Å
186Y94.9Very high93.2Very high46 Ų4672.1 Ų72.118%0.1837%0.371CS..  trans-153.1152.7171.666.2-78.6000108.7R188 T191 F196 M209 L210 D211 Y212Y186-R188 HydrophobicContact CE2-CB 4.46Å; Y186-T191 HydrophobicContact CD2-CG2 4.23Å; Y186-F196 HydrophobicContact CD1-CD2 4.2Å; Y186-F196 HydrophobicContact CD1-CE2 4.28Å; Y186-F196 HydrophobicContact CD2-CD2 4.21Å; Y186-F196 AromaticContact CE1-CD2 3.75Å; Y186-F196 HydrophobicContact CE1-CD2 3.75Å; Y186-F196 AromaticContact CE1-CE2 3.51Å; Y186-F196 HydrophobicContact CE1-CE2 3.51Å; Y186-F196 AromaticContact CE2-CD2 3.75Å; Y186-F196 HydrophobicContact CE2-CD2 3.75Å; Y186-F196 HydrophobicContact CE2-CE2 4.2Å; Y186-F196 HydrophobicContact CG-CD2 4.42Å; Y186-F196 AromaticContact CZ-CD2 3.49Å; Y186-F196 VanDerWaalsContact CZ-CD2 3.49Å; Y186-F196 AromaticContact CZ-CE2 3.46Å; Y186-F196 VanDerWaalsContact CZ-CE2 3.46Å; Y186-F196 WeakPolarHBondContact OH-CE2 3.33Å; Y186-M209 HydrophobicContact CD1-CE 3.28Å; Y186-M209 HydrophobicContact CE1-CE 3.72Å; Y186-M209 HydrophobicContact CG-CE 4.06Å; Y186-L210 VanDerWaalsContact CE1-O 3.27Å; Y186-L210 WeakPolarHBondContact CE1-O 3.48Å; Y186-L210 PolarHBondContact OH-O 2.81Å; Y186-D211 VanDerWaalsContact OH-C 3.22Å; Y186-D211 PolarHBondContact OH-O 3.16Å; Y186-D211 VanDerWaalsContact OH-O 3.07Å; Y186-Y212 AromaticContact CE2-CD2 3.81Å; Y186-Y212 HydrophobicContact CE2-CD2 3.81Å; Y186-Y212 HydrophobicContact CE2-CE2 4.35Å; Y186-Y212 WeakPolarHBondContact OH-CA 3.39Å; Y186-Y212 PolarHBondContact OH-N 3.01Å
187D92.5Very high93.1Very high79 Ų7975.1 Ų75.142%0.42238%0.382SS..  trans-93.6126.3170.3-169.3-20.6000109.7S189 E190 T191D187-S189 VanDerWaalsContact C-N 3.27Å; D187-S189 PolarHBondContact O-N 2.84Å; D187-S189 WeakPolarHBondContact OD1-CB 3.42Å; D187-S189 PolarHBondContact OD1-N 2.94Å; D187-S189 PolarHBondContact OD1-OG 3.05Å; D187-S189 PolarHBondContact OD2-OG 2.59Å; D187-E190 HydrophobicContact CB-CB 4.42Å; D187-E190 HydrophobicContact CB-CG 4.3Å; D187-E190 PolarHBondContact O-N 2.81Å; D187-T191 WeakPolarHBondContact O-CA 3.19Å; D187-T191 WeakPolarHBondContact O-CB 3.15Å; D187-T191 PolarHBondContact O-N 2.97Å; D187-T191 PolarHBondContact O-OG1 2.9Å
188R88.5Confident92.9Very high58 Ų5876.8 Ų76.822%0.21939%0.387CS..THydrogen-bonded Turntrans-68.5-25.7177.7-175.7174.4168.2-160.6-10.5112Y186 E190 Y212 T482 T483Y186-R188 HydrophobicContact CE2-CB 4.46Å; R188-E190 VanDerWaalsContact C-N 3.35Å; R188-Y212 HydrophobicContact CG-CD2 4.48Å; R188-Y212 HydrophobicContact CG-CE1 4.48Å; R188-Y212 HydrophobicContact CG-CE2 3.85Å; R188-T482 PolarHBondContact NH1-O 2.91Å; R188-T482 VanDerWaalsContact NH1-O 3.09Å; R188-T483 PolarHBondContact NH2-O 2.88Å
189S86.6Confident92.9Very high89 Ų8976 Ų7662%0.62238%0.375SS*.THydrogen-bonded Turntrans-68.7-33.8176.2740000112.1D187D187-S189 VanDerWaalsContact C-N 3.27Å; D187-S189 PolarHBondContact O-N 2.84Å; D187-S189 WeakPolarHBondContact OD1-CB 3.42Å; D187-S189 PolarHBondContact OD1-N 2.94Å; D187-S189 PolarHBondContact OD1-OG 3.05Å; D187-S189 PolarHBondContact OD2-OG 2.59Å
190E89.9Confident93Very high144 Ų14473 Ų7367%0.67336%0.355SS*.THydrogen-bonded Turntrans-101.8-23.7-177-55.8-175.1163.800113.8D187 R188D187-E190 HydrophobicContact CB-CB 4.42Å; D187-E190 HydrophobicContact CB-CG 4.3Å; D187-E190 PolarHBondContact O-N 2.81Å; R188-E190 VanDerWaalsContact C-N 3.35Å
191T91Very high92.8Very high13 Ų1374.6 Ų74.68%0.0836%0.355CS..SBendtrans-102.4102.2-175.4-55.60000109.9Y186 D187 K195 F196 K199 Y212Y186-T191 HydrophobicContact CD2-CG2 4.23Å; D187-T191 WeakPolarHBondContact O-CA 3.19Å; D187-T191 WeakPolarHBondContact O-CB 3.15Å; D187-T191 PolarHBondContact O-N 2.97Å; D187-T191 PolarHBondContact O-OG1 2.9Å; T191-K195 HydrophobicContact CG2-CB 3.71Å; T191-F196 HydrophobicContact CG2-CB 4.14Å; T191-K199 HydrophobicContact CG2-CD 4.44Å; T191-Y212 WeakPolarHBondContact O-CE2 3.34Å; T191-Y212 PolarHBondContact O-OH 2.83Å
192S91.1Very high92.7Very high57 Ų5781 Ų8140%0.39938%0.383SS..  trans-61.3155.617170.40000112.1R194 K195 F196S192-R194 PolarHBondContact O-N 3.32Å; S192-K195 WeakPolarHBondContact O-CA 3.36Å; S192-K195 WeakPolarHBondContact O-CB 3.06Å; S192-K195 PolarHBondContact O-N 3.06Å; S192-K195 PolarHBondContact OG-N 2.77Å; S192-F196 PolarHBondContact O-N 3.42Å
193Y91.1Very high92.4Very high24 Ų2475.3 Ų75.39%0.09436%0.359CS..Hα-helixtrans-53.8-32.8176.5-171.9-127.9000113.2F196 R197 Y212 H213 K243 D507Y193-F196 HydrophobicContact CD2-CB 4.4Å; Y193-F196 AromaticContact CD2-CD1 3.85Å; Y193-F196 HydrophobicContact CD2-CD1 3.85Å; Y193-F196 HydrophobicContact CD2-CG 4.45Å; Y193-F196 AromaticContact CE2-CD1 3.74Å; Y193-F196 HydrophobicContact CE2-CD1 3.74Å; Y193-F196 HydrophobicContact CE2-CE1 4.16Å; Y193-F196 PolarHBondContact O-N 3.11Å; Y193-R197 HydrophobicContact CD1-CG 4.44Å; Y193-R197 HydrophobicContact CD2-CG 4.46Å; Y193-R197 HydrophobicContact CE1-CG 4.13Å; Y193-R197 HydrophobicContact CE2-CG 4.15Å; Y193-R197 WeakPolarHBondContact O-CG 3.5Å; Y193-R197 PolarHBondContact O-N 2.93Å; Y193-Y212 AromaticContact CD2-CD1 3.53Å; Y193-Y212 HydrophobicContact CD2-CD1 3.53Å; Y193-Y212 HydrophobicContact CD2-CD2 4.21Å; Y193-Y212 HydrophobicContact CD2-CE1 4.13Å; Y193-Y212 AromaticContact CD2-CG 3.56Å; Y193-Y212 HydrophobicContact CD2-CG 3.56Å; Y193-Y212 HydrophobicContact CE2-CD1 4.27Å; Y193-Y212 HydrophobicContact CE2-CG 4.2Å; Y193-Y212 HydrophobicContact CG-CD1 4.17Å; Y193-Y212 HydrophobicContact CG-CE1 4.37Å; Y193-Y212 PolarHBondContact N-OH 3.34Å; Y193-H213 AromaticContact CD2-CE1 3.78Å; Y193-H213 AromaticContact CE1-CE1 3.88Å; Y193-H213 AromaticContact CE2-CE1 3.45Å; Y193-H213 VanDerWaalsContact CE2-CE1 3.45Å; Y193-H213 WeakPolarHBondContact CE2-CE1 3.13Å; Y193-H213 AromaticContact CZ-CE1 3.49Å; Y193-H213 VanDerWaalsContact CZ-CE1 3.49Å; Y193-K243 PolarHBondContact OH-NZ 2.98Å; Y193-D507 PolarHBondContact OH-O 2.98Å
194R90.3Very high92.1Very high169 Ų16979.2 Ų79.264%0.63838%0.38SS*.Hα-helixtrans-63.3-42.6173.9-175.5178.9-178.2-178.4-0.2111.9S192 K198S192-R194 PolarHBondContact O-N 3.32Å; R194-K198 PolarHBondContact O-N 3.16Å
195K93.2Very high91.6Very high122 Ų12289 Ų8953%0.5341%0.414SS..Hα-helixtrans-68.5-40.6174.8-70.3-178.8-178.1175.70110.9T191 S192 K198 K199T191-K195 HydrophobicContact CG2-CB 3.71Å; S192-K195 WeakPolarHBondContact O-CA 3.36Å; S192-K195 WeakPolarHBondContact O-CB 3.06Å; S192-K195 PolarHBondContact O-N 3.06Å; S192-K195 PolarHBondContact OG-N 2.77Å; K195-K198 WeakPolarHBondContact O-CB 3.18Å; K195-K198 PolarHBondContact O-N 2.85Å; K195-K199 PolarHBondContact O-N 3Å
196F94.7Very high91.3Very high0 Ų082.8 Ų82.80%039%0.394CS..Hα-helixtrans-56.6-50.7174.7173.3-92.8000111.8Y186 T191 S192 Y193 K198 K199 V200 M209 L210 Y212 V220Y186-F196 HydrophobicContact CD1-CD2 4.2Å; Y186-F196 HydrophobicContact CD1-CE2 4.28Å; Y186-F196 HydrophobicContact CD2-CD2 4.21Å; Y186-F196 AromaticContact CE1-CD2 3.75Å; Y186-F196 HydrophobicContact CE1-CD2 3.75Å; Y186-F196 AromaticContact CE1-CE2 3.51Å; Y186-F196 HydrophobicContact CE1-CE2 3.51Å; Y186-F196 AromaticContact CE2-CD2 3.75Å; Y186-F196 HydrophobicContact CE2-CD2 3.75Å; Y186-F196 HydrophobicContact CE2-CE2 4.2Å; Y186-F196 HydrophobicContact CG-CD2 4.42Å; Y186-F196 AromaticContact CZ-CD2 3.49Å; Y186-F196 VanDerWaalsContact CZ-CD2 3.49Å; Y186-F196 AromaticContact CZ-CE2 3.46Å; Y186-F196 VanDerWaalsContact CZ-CE2 3.46Å; Y186-F196 WeakPolarHBondContact OH-CE2 3.33Å; T191-F196 HydrophobicContact CG2-CB 4.14Å; S192-F196 PolarHBondContact O-N 3.42Å; Y193-F196 HydrophobicContact CD2-CB 4.4Å; Y193-F196 AromaticContact CD2-CD1 3.85Å; Y193-F196 HydrophobicContact CD2-CD1 3.85Å; Y193-F196 HydrophobicContact CD2-CG 4.45Å; Y193-F196 AromaticContact CE2-CD1 3.74Å; Y193-F196 HydrophobicContact CE2-CD1 3.74Å; Y193-F196 HydrophobicContact CE2-CE1 4.16Å; Y193-F196 PolarHBondContact O-N 3.11Å; F196-K198 VanDerWaalsContact C-N 3.27Å; F196-K198 PolarHBondContact O-N 3.28Å; F196-K199 WeakPolarHBondContact O-CA 3.34Å; F196-K199 WeakPolarHBondContact O-CB 3.31Å; F196-K199 PolarHBondContact O-N 3.15Å; F196-V200 HydrophobicContact CD1-CG2 4.04Å; F196-V200 HydrophobicContact CE1-CG2 3.52Å; F196-V200 HydrophobicContact CE2-CG2 4.12Å; F196-V200 HydrophobicContact CZ-CG2 3.56Å; F196-V200 PolarHBondContact O-N 2.99Å; F196-M209 HydrophobicContact CD2-CE 3.88Å; F196-M209 HydrophobicContact CE2-CE 3.77Å; F196-L210 WeakPolarHBondContact CE2-O 3.2Å; F196-Y212 HydrophobicContact CB-CD2 3.72Å; F196-Y212 HydrophobicContact CB-CE2 4.28Å; F196-Y212 HydrophobicContact CB-CG 4.42Å; F196-Y212 HydrophobicContact CD1-CD2 4.37Å; F196-Y212 HydrophobicContact CD1-CG 4.33Å; F196-Y212 AromaticContact CD2-CD2 3.95Å; F196-Y212 HydrophobicContact CD2-CD2 3.95Å; F196-Y212 HydrophobicContact CD2-CG 4.48Å; F196-Y212 AromaticContact CG-CD2 3.75Å; F196-Y212 HydrophobicContact CG-CD2 3.75Å; F196-Y212 HydrophobicContact CG-CG 4.16Å; F196-V220 HydrophobicContact CZ-CG2 4.25Å
197R93.1Very high91.4Very high64 Ų6482.3 Ų82.324%0.24239%0.393CS..Hα-helixtrans-56.6-40.6176.9-70-174-56.7-164.5-0.9112.4Y193 K199 V200 C201 K506 L508Y193-R197 HydrophobicContact CD1-CG 4.44Å; Y193-R197 HydrophobicContact CD2-CG 4.46Å; Y193-R197 HydrophobicContact CE1-CG 4.13Å; Y193-R197 HydrophobicContact CE2-CG 4.15Å; Y193-R197 WeakPolarHBondContact O-CG 3.5Å; Y193-R197 PolarHBondContact O-N 2.93Å; R197-K199 VanDerWaalsContact C-N 3.32Å; R197-K199 PolarHBondContact O-N 3.11Å; R197-V200 PolarHBondContact O-N 3.18Å; R197-C201 PolarHBondContact O-N 3.19Å; R197-C201 PolarHBondContact O-SG 3.47Å; R197-K506 WeakPolarHBondContact CD-O 3.34Å; R197-K506 PolarHBondContact NH1-O 3.45Å; R197-L508 HydrophobicContact CB-CD1 3.88Å; R197-L508 HydrophobicContact CB-CG 4.43Å; R197-L508 HydrophobicContact CG-CD1 3.79Å; R197-L508 HydrophobicContact CG-CG 4.08Å
198K92.6Very high91.6Very high126 Ų12678.5 Ų78.555%0.54837%0.373SS..Hα-helixtrans-63.2-36.5175.2-72.3-177.7176.8-1730112.4R194 K195 F196 K202R194-K198 PolarHBondContact O-N 3.16Å; K195-K198 WeakPolarHBondContact O-CB 3.18Å; K195-K198 PolarHBondContact O-N 2.85Å; F196-K198 VanDerWaalsContact C-N 3.27Å; F196-K198 PolarHBondContact O-N 3.28Å; K198-K202 WeakPolarHBondContact O-CG 3.15Å; K198-K202 PolarHBondContact O-N 3.29Å
199K94.6Very high92.1Very high87 Ų8775.8 Ų75.838%0.37836%0.363SS..Hα-helixtrans-66.4-47.1174-74.7175.2169.9-86.40110.8T191 K195 F196 R197 C201 K202 L203 M209T191-K199 HydrophobicContact CG2-CD 4.44Å; K195-K199 PolarHBondContact O-N 3Å; F196-K199 WeakPolarHBondContact O-CA 3.34Å; F196-K199 WeakPolarHBondContact O-CB 3.31Å; F196-K199 PolarHBondContact O-N 3.15Å; R197-K199 VanDerWaalsContact C-N 3.32Å; R197-K199 PolarHBondContact O-N 3.11Å; K199-C201 VanDerWaalsContact C-N 3.32Å; K199-C201 PolarHBondContact O-N 2.8Å; K199-K202 CarbonylContact O-C 3.6Å; K199-K202 WeakPolarHBondContact O-CA 3.32Å; K199-K202 PolarHBondContact O-N 3.47Å; K199-L203 PolarHBondContact O-N 3.05Å; K199-L203 VanDerWaalsContact O-N 3.16Å; K199-M209 HydrophobicContact CB-CE 3.99Å; K199-M209 HydrophobicContact CB-SD 4.06Å; K199-M209 HydrophobicContact CD-CE 4.18Å
200V93.4Very high92.6Very high6 Ų673.2 Ų73.24%0.03634%0.342CS..Hα-helixtrans-56.9-44.1177.4174.60000111.8P157 F196 R197 K202 L203 M209 V220 L508P157-V200 HydrophobicContact CB-CG1 3.77Å; P157-V200 HydrophobicContact CG-CG1 3.92Å; F196-V200 HydrophobicContact CD1-CG2 4.04Å; F196-V200 HydrophobicContact CE1-CG2 3.52Å; F196-V200 HydrophobicContact CE2-CG2 4.12Å; F196-V200 HydrophobicContact CZ-CG2 3.56Å; F196-V200 PolarHBondContact O-N 2.99Å; R197-V200 PolarHBondContact O-N 3.18Å; V200-K202 PolarHBondContact O-N 3.14Å; V200-L203 HydrophobicContact CG1-CD1 4.43Å; V200-L203 PolarHBondContact O-N 2.95Å; V200-M209 HydrophobicContact CG2-SD 4.03Å; V200-V220 HydrophobicContact CG1-CG1 3.67Å; V200-V220 HydrophobicContact CG2-CG1 4.11Å; V200-L508 HydrophobicContact CB-CD1 3.86Å; V200-L508 HydrophobicContact CG1-CD1 3.77Å; V200-L508 HydrophobicContact CG2-CD1 4.47Å
201C88.7Confident92.9Very high96 Ų9666.3 Ų66.365%0.64931%0.31SS*.THydrogen-bonded Turntrans-66.4-14.9177.2-64.30000114.3R197 K199R197-C201 PolarHBondContact O-N 3.19Å; R197-C201 PolarHBondContact O-SG 3.47Å; K199-C201 VanDerWaalsContact C-N 3.32Å; K199-C201 PolarHBondContact O-N 2.8Å
202K92.4Very high93.1Very high167 Ų16767 Ų6773%0.72631%0.311SS*.THydrogen-bonded Turntrans-106.42.8179.5-70.7-177.8176.7-165.60113.1K198 K199 V200 D204K198-K202 WeakPolarHBondContact O-CG 3.15Å; K198-K202 PolarHBondContact O-N 3.29Å; K199-K202 CarbonylContact O-C 3.6Å; K199-K202 WeakPolarHBondContact O-CA 3.32Å; K199-K202 PolarHBondContact O-N 3.47Å; V200-K202 PolarHBondContact O-N 3.14Å; K202-D204 PolarHBondContact O-N 3.04Å
203L91.5Very high93.2Very high16 Ų1664.5 Ų64.58%0.08429%0.293CS..PPolyproline II helixtrans-63129.8177.8-73.9169.2000110.1V184 K199 V200 E207 M209 P222V184-L203 HydrophobicContact CB-CD2 3.95Å; V184-L203 HydrophobicContact CG1-CD2 4.43Å; V184-L203 HydrophobicContact CG2-CD2 3.78Å; K199-L203 PolarHBondContact O-N 3.05Å; K199-L203 VanDerWaalsContact O-N 3.16Å; V200-L203 HydrophobicContact CG1-CD1 4.43Å; V200-L203 PolarHBondContact O-N 2.95Å; L203-E207 HydrophobicContact CB-CB 4.48Å; L203-E207 HydrophobicContact CD2-CB 3.84Å; L203-M209 HydrophobicContact CD1-CG 3.84Å; L203-M209 HydrophobicContact CD1-SD 3.85Å; L203-M209 HydrophobicContact CD2-CG 3.65Å; L203-M209 HydrophobicContact CD2-SD 3.77Å; L203-M209 HydrophobicContact CG-CG 4.24Å; L203-M209 HydrophobicContact CG-SD 3.98Å; L203-P222 HydrophobicContact CB-CB 4.42Å; L203-P222 HydrophobicContact CB-CG 3.72Å
204D90.9Very high93.4Very high111 Ų11163.5 Ų63.559%0.59429%0.289SS*.PPolyproline II helixtrans-81.9163.5175.9-74.7-48.4000111.5K202 G206 E207 P222K202-D204 PolarHBondContact O-N 3.04Å; D204-G206 PolarHBondContact O-N 3.23Å; D204-E207 HydrophobicContact CB-CG 4.23Å; D204-E207 PolarHBondContact N-OE2 3.19Å; D204-E207 WeakPolarHBondContact O-CB 3.32Å; D204-E207 PolarHBondContact O-N 2.74Å; D204-P222 WeakPolarHBondContact O-CG 3.36Å
205R87.3Confident93.7Very high239 Ų23957.5 Ų57.590%0.90227%0.272SS*.THydrogen-bonded Turntrans-59.7132.7174.5-70.4-176.2178.4174.92.5109.9E207R205-E207 VanDerWaalsContact C-N 3.32Å
206G89.6Confident93.7Very high25 Ų2556 Ų5626%0.25827%0.267SS..THydrogen-bonded Turntrans88.8-3.8-174.700000113.3F181 K182 D204F181-G206 CarbonylContact C-O 3.58Å; F181-G206 WeakPolarHBondContact CA-O 3.38Å; F181-G206 WeakPolarHBondContact CB-O 3.36Å; F181-G206 WeakPolarHBondContact CD1-O 3.39Å; K182-G206 PolarHBondContact N-O 3.36Å; D204-G206 PolarHBondContact O-N 3.23Å
207E96.5Very high93.8Very high36 Ų3656.2 Ų56.217%0.16827%0.268CS..EExtended strand (participates in β ladder)trans-97.1155.1173.2-59.1-168.7137.300112.2K182 V184 L203 D204 R205 P222K182-E207 WeakPolarHBondContact O-CA 3.33Å; V184-E207 HydrophobicContact CG2-CB 4Å; V184-E207 HydrophobicContact CG2-CG 4.17Å; L203-E207 HydrophobicContact CB-CB 4.48Å; L203-E207 HydrophobicContact CD2-CB 3.84Å; D204-E207 HydrophobicContact CB-CG 4.23Å; D204-E207 PolarHBondContact N-OE2 3.19Å; D204-E207 WeakPolarHBondContact O-CB 3.32Å; D204-E207 PolarHBondContact O-N 2.74Å; R205-E207 VanDerWaalsContact C-N 3.32Å; E207-P222 WeakPolarHBondContact O-CD 3.41Å
208F97.4Very high94Very high0 Ų053.1 Ų53.10%026%0.256CS..EExtended strand (participates in β ladder)trans-148.7162.9170.972.4-80.9000111.6I173 L176 F181 K182 Q183 V184 L219 V220 F221I173-F208 HydrophobicContact CG1-CE2 4.33Å; I173-F208 HydrophobicContact CG2-CZ 4.25Å; L176-F208 HydrophobicContact CB-CE1 3.91Å; L176-F208 HydrophobicContact CB-CZ 4.08Å; L176-F208 HydrophobicContact CD1-CD1 4.41Å; L176-F208 HydrophobicContact CD1-CD2 4.28Å; L176-F208 HydrophobicContact CD1-CE1 4.16Å; L176-F208 HydrophobicContact CD1-CE2 4.02Å; L176-F208 HydrophobicContact CD1-CG 4.45Å; L176-F208 HydrophobicContact CD1-CZ 3.95Å; F181-F208 HydrophobicContact CB-CD1 3.88Å; F181-F208 HydrophobicContact CB-CE1 3.95Å; K182-F208 WeakPolarHBondContact O-CD1 3.4Å; K182-F208 PolarHBondContact O-N 3.01Å; Q183-F208 CarbonylContact C-O 3.14Å; Q183-F208 WeakPolarHBondContact CA-O 3.07Å; Q183-F208 HydrophobicContact CB-CE1 3.9Å; Q183-F208 HydrophobicContact CB-CE2 3.99Å; Q183-F208 HydrophobicContact CB-CZ 3.59Å; Q183-F208 HydrophobicContact CG-CD2 4.32Å; Q183-F208 HydrophobicContact CG-CE2 3.77Å; Q183-F208 HydrophobicContact CG-CZ 3.92Å; V184-F208 PolarHBondContact N-O 3.32Å; F208-L219 HydrophobicContact CD2-CD2 3.76Å; F208-L219 HydrophobicContact CE2-CD2 3.8Å; F208-V220 CarbonylContact C-O 3.51Å; F208-V220 VanDerWaalsContact CA-O 3.3Å; F208-V220 WeakPolarHBondContact CA-O 3.23Å; F208-F221 HydrophobicContact CB-CD1 3.57Å; F208-F221 HydrophobicContact CB-CE1 3.45Å; F208-F221 VanDerWaalsContact CB-CE1 3.45Å; F208-F221 HydrophobicContact CB-CG 4.22Å; F208-F221 HydrophobicContact CB-CZ 3.99Å; F208-F221 HydrophobicContact CG-CE1 4.06Å; F208-F221 HydrophobicContact CG-CZ 4.39Å
209M97.7Very high94.3Very high0 Ų047.1 Ų47.10%023%0.23CC..EExtended strand (participates in β ladder)trans-132.3158176.1-60.5177.67000110.2V184 Y186 F196 K199 V200 L203 L219 V220V184-M209 HydrophobicContact CB-CG 3.89Å; V184-M209 HydrophobicContact CG1-CG 4.35Å; V184-M209 HydrophobicContact CG1-SD 4.45Å; V184-M209 WeakPolarHBondContact O-CG 3.3Å; Y186-M209 HydrophobicContact CD1-CE 3.28Å; Y186-M209 HydrophobicContact CE1-CE 3.72Å; Y186-M209 HydrophobicContact CG-CE 4.06Å; F196-M209 HydrophobicContact CD2-CE 3.88Å; F196-M209 HydrophobicContact CE2-CE 3.77Å; K199-M209 HydrophobicContact CB-CE 3.99Å; K199-M209 HydrophobicContact CB-SD 4.06Å; K199-M209 HydrophobicContact CD-CE 4.18Å; V200-M209 HydrophobicContact CG2-SD 4.03Å; L203-M209 HydrophobicContact CD1-CG 3.84Å; L203-M209 HydrophobicContact CD1-SD 3.85Å; L203-M209 HydrophobicContact CD2-CG 3.65Å; L203-M209 HydrophobicContact CD2-SD 3.77Å; L203-M209 HydrophobicContact CG-CG 4.24Å; L203-M209 HydrophobicContact CG-SD 3.98Å; M209-L219 CarbonylContact O-C 3.56Å; M209-L219 WeakPolarHBondContact O-CA 3.34Å; M209-V220 PolarHBondContact N-O 2.99Å; M209-V220 PolarHBondContact O-N 3.29Å
210L97.6Very high94.4Very high35 Ų3543 Ų4318%0.18321%0.212CC..EExtended strand (participates in β ladder)trans-76.7143.3161.5-62.9179.2000109.7L169 I173 Y186 F196 P215 L219L169-L210 HydrophobicContact CD1-CD2 4.03Å; L169-L210 HydrophobicContact CD2-CD2 4.38Å; I173-L210 HydrophobicContact CD1-CD2 4.23Å; Y186-L210 VanDerWaalsContact CE1-O 3.27Å; Y186-L210 WeakPolarHBondContact CE1-O 3.48Å; Y186-L210 PolarHBondContact OH-O 2.81Å; F196-L210 WeakPolarHBondContact CE2-O 3.2Å; L210-P215 HydrophobicContact CB-CB 4.17Å; L210-L219 HydrophobicContact CD2-CG 4.18Å
211D96.7Very high94.4Very high0 Ų042.7 Ų42.70%021%0.211CC..  trans-63150.3179.5-175.862.8000112.5Y186 H213 L214 P215 L218 V220 K243Y186-D211 VanDerWaalsContact OH-C 3.22Å; Y186-D211 PolarHBondContact OH-O 3.16Å; Y186-D211 VanDerWaalsContact OH-O 3.07Å; D211-H213 PolarHBondContact OD2-N 3.05Å; D211-L214 PolarHBondContact OD2-N 2.87Å; D211-P215 VanDerWaalsContact O-CA 3.26Å; D211-P215 WeakPolarHBondContact O-CA 3.49Å; D211-P215 VanDerWaalsContact O-CB 3.25Å; D211-P215 WeakPolarHBondContact O-CB 3.46Å; D211-P215 WeakPolarHBondContact O-CD 3.49Å; D211-L218 HydrophobicContact CB-CB 3.79Å; D211-L218 HydrophobicContact CB-CD2 3.99Å; D211-L218 HydrophobicContact CB-CG 4.2Å; D211-L218 PolarHBondContact N-O 2.96Å; D211-V220 HydrophobicContact CB-CG2 3.92Å; D211-K243 VanDerWaalsContact CG-CE 3.48Å; D211-K243 VanDerWaalsContact CG-NZ 3.28Å; D211-K243 WeakPolarHBondContact OD1-CD 3.45Å; D211-K243 WeakPolarHBondContact OD1-CE 3.45Å; D211-K243 IonicContact OD1-NZ 3.23Å; D211-K243 PolarHBondContact OD1-NZ 2.97Å; D211-K243 WeakPolarHBondContact OD2-CE 3.42Å; D211-K243 IonicContact OD2-NZ 3.48Å; D211-K243 PolarHBondContact OD2-NZ 2.94Å; D211-K243 VanDerWaalsContact OD2-NZ 3.07Å
212Y95.3Very high94.5Very high28 Ų2838.9 Ų38.911%0.1118%0.184CC..SBendtrans-67.9-39.6-179.8-169.1-91.9000114.8Y186 R188 T191 Y193 F196Y186-Y212 AromaticContact CE2-CD2 3.81Å; Y186-Y212 HydrophobicContact CE2-CD2 3.81Å; Y186-Y212 HydrophobicContact CE2-CE2 4.35Å; Y186-Y212 WeakPolarHBondContact OH-CA 3.39Å; Y186-Y212 PolarHBondContact OH-N 3.01Å; R188-Y212 HydrophobicContact CG-CD2 4.48Å; R188-Y212 HydrophobicContact CG-CE1 4.48Å; R188-Y212 HydrophobicContact CG-CE2 3.85Å; T191-Y212 WeakPolarHBondContact O-CE2 3.34Å; T191-Y212 PolarHBondContact O-OH 2.83Å; Y193-Y212 AromaticContact CD2-CD1 3.53Å; Y193-Y212 HydrophobicContact CD2-CD1 3.53Å; Y193-Y212 HydrophobicContact CD2-CD2 4.21Å; Y193-Y212 HydrophobicContact CD2-CE1 4.13Å; Y193-Y212 AromaticContact CD2-CG 3.56Å; Y193-Y212 HydrophobicContact CD2-CG 3.56Å; Y193-Y212 HydrophobicContact CE2-CD1 4.27Å; Y193-Y212 HydrophobicContact CE2-CG 4.2Å; Y193-Y212 HydrophobicContact CG-CD1 4.17Å; Y193-Y212 HydrophobicContact CG-CE1 4.37Å; Y193-Y212 PolarHBondContact N-OH 3.34Å; F196-Y212 HydrophobicContact CB-CD2 3.72Å; F196-Y212 HydrophobicContact CB-CE2 4.28Å; F196-Y212 HydrophobicContact CB-CG 4.42Å; F196-Y212 HydrophobicContact CD1-CD2 4.37Å; F196-Y212 HydrophobicContact CD1-CG 4.33Å; F196-Y212 AromaticContact CD2-CD2 3.95Å; F196-Y212 HydrophobicContact CD2-CD2 3.95Å; F196-Y212 HydrophobicContact CD2-CG 4.48Å; F196-Y212 AromaticContact CG-CD2 3.75Å; F196-Y212 HydrophobicContact CG-CD2 3.75Å; F196-Y212 HydrophobicContact CG-CG 4.16Å
213H93.5Very high94Very high4 Ų433.3 Ų33.32%0.01917%0.166CC..SBendtrans-97.2-32.6-175.6-59.7116.9000111.5Y193 D211 P215 K243 P484 I485 W486Y193-H213 AromaticContact CD2-CE1 3.78Å; Y193-H213 AromaticContact CE1-CE1 3.88Å; Y193-H213 AromaticContact CE2-CE1 3.45Å; Y193-H213 VanDerWaalsContact CE2-CE1 3.45Å; Y193-H213 WeakPolarHBondContact CE2-CE1 3.13Å; Y193-H213 AromaticContact CZ-CE1 3.49Å; Y193-H213 VanDerWaalsContact CZ-CE1 3.49Å; D211-H213 PolarHBondContact OD2-N 3.05Å; H213-P215 WeakPolarHBondContact O-CD 3.41Å; H213-K243 VanDerWaalsContact ND1-CE 3.33Å; H213-K243 WeakPolarHBondContact ND1-CE 3.39Å; H213-K243 PolarHBondContact ND1-NZ 2.91Å; H213-P484 HydrophobicContact CB-CB 4.28Å; H213-I485 PolarHBondContact NE2-O 3.2Å; H213-W486 AromaticContact CE1-CE3 3.35Å; H213-W486 AromaticContact CE1-CZ3 3.38Å; H213-W486 WeakPolarHBondContact CE1-CZ3 3.46Å; H213-W486 AromaticContact ND1-CE3 3.5Å; H213-W486 AromaticContact ND1-CZ3 3.31Å; H213-W486 VanDerWaalsContact ND1-CZ3 3.31Å; H213-W486 WeakPolarHBondContact ND1-CZ3 3.5Å; H213-W486 AromaticContact NE2-CE3 3.92Å
214L94.9Very high93.2Very high2 Ų235.7 Ų35.71%0.0120%0.195CC..  trans-122.851.9-177.2-55.6177.8000112.2D211 H216 L217 L218 C246 F247 E250D211-L214 PolarHBondContact OD2-N 2.87Å; L214-H216 PolarHBondContact O-N 2.85Å; L214-H216 VanDerWaalsContact O-N 3.17Å; L214-L217 HydrophobicContact CB-CD1 4.45Å; L214-L217 HydrophobicContact CB-CD2 4.14Å; L214-L217 HydrophobicContact CB-CG 3.99Å; L214-L217 HydrophobicContact CD1-CD1 4.43Å; L214-L217 HydrophobicContact CD1-CD2 4.33Å; L214-L217 HydrophobicContact CD2-CD2 4.4Å; L214-L217 PolarHBondContact O-N 2.94Å; L214-L218 HydrophobicContact CB-CB 4.08Å; L214-L218 WeakPolarHBondContact O-CB 3.34Å; L214-L218 PolarHBondContact O-N 3.16Å; L214-C246 HydrophobicContact CD1-CB 3.73Å; L214-F247 HydrophobicContact CD1-CD1 4.1Å; L214-F247 HydrophobicContact CD1-CE1 4.18Å; L214-E250 HydrophobicContact CD1-CG 4.3Å; L214-E250 HydrophobicContact CD2-CB 4.31Å; L214-E250 HydrophobicContact CD2-CG 3.73Å
215P95.4Very high92.8Very high43 Ų4331.5 Ų31.528%0.27917%0.173SC..THydrogen-bonded Turntrans-62.9-23.6-175.926.3-34.5000112.9L169 L210 D211 H213 L217L169-P215 WeakPolarHBondContact CD2-O 3.34Å; L210-P215 HydrophobicContact CB-CB 4.17Å; D211-P215 VanDerWaalsContact O-CA 3.26Å; D211-P215 WeakPolarHBondContact O-CA 3.49Å; D211-P215 VanDerWaalsContact O-CB 3.25Å; D211-P215 WeakPolarHBondContact O-CB 3.46Å; D211-P215 WeakPolarHBondContact O-CD 3.49Å; H213-P215 WeakPolarHBondContact O-CD 3.41Å; P215-L217 VanDerWaalsContact C-N 3.32Å; P215-L217 PolarHBondContact O-N 3.34Å
216H94.7Very high92.5Very high92 Ų9222.7 Ų22.743%0.42615%0.152SC..THydrogen-bonded Turntrans-72-21179.359-64.8000113.6F164 L214 E250F164-H216 VanDerWaalsContact CZ-O 3.3Å; F164-H216 WeakPolarHBondContact CZ-O 3.35Å; L214-H216 PolarHBondContact O-N 2.85Å; L214-H216 VanDerWaalsContact O-N 3.17Å; H216-E250 IonicContact CE1-OE2 2.96Å; H216-E250 PolarHBondContact CE1-OE2 3.46Å; H216-E250 IonicContact NE2-OE1 2.85Å; H216-E250 IonicContact NE2-OE2 2.61Å; H216-E250 PolarHBondContact NE2-OE2 3.37Å
217L95.8Very high92.3Very high3 Ų321.6 Ų21.62%0.01614%0.14CC..THydrogen-bonded Turntrans-132.7-21.1-17574.694.9000115.3R161 V162 F164 L214 P215 C246 E250R161-L217 WeakPolarHBondContact CA-O 3.42Å; R161-L217 HydrophobicContact CB-CD1 4.27Å; R161-L217 HydrophobicContact CG-CD1 3.58Å; V162-L217 PolarHBondContact N-O 2.88Å; F164-L217 HydrophobicContact CE2-CB 3.76Å; F164-L217 HydrophobicContact CZ-CB 4.28Å; L214-L217 HydrophobicContact CB-CD1 4.45Å; L214-L217 HydrophobicContact CB-CD2 4.14Å; L214-L217 HydrophobicContact CB-CG 3.99Å; L214-L217 HydrophobicContact CD1-CD1 4.43Å; L214-L217 HydrophobicContact CD1-CD2 4.33Å; L214-L217 HydrophobicContact CD2-CD2 4.4Å; L214-L217 PolarHBondContact O-N 2.94Å; P215-L217 VanDerWaalsContact C-N 3.32Å; P215-L217 PolarHBondContact O-N 3.34Å; L217-C246 HydrophobicContact CD1-CB 4.35Å; L217-E250 VanDerWaalsContact CD2-CD 3.46Å; L217-E250 HydrophobicContact CD2-CG 4.03Å; L217-E250 WeakPolarHBondContact CD2-OE1 3.07Å
218L97.4Very high91.7Very high0 Ų025.7 Ų25.70%016%0.155CC..EExtended strand (participates in β ladder)trans-119.5130.6-166-160.771.5000112.5Y159 R161 D211 L214 K243Y159-L218 HydrophobicContact CD1-CD2 3.55Å; Y159-L218 HydrophobicContact CD1-CG 4.01Å; Y159-L218 HydrophobicContact CE1-CD2 4.17Å; Y159-L218 HydrophobicContact CG-CD2 4.22Å; R161-L218 HydrophobicContact CB-CD1 3.93Å; D211-L218 HydrophobicContact CB-CB 3.79Å; D211-L218 HydrophobicContact CB-CD2 3.99Å; D211-L218 HydrophobicContact CB-CG 4.2Å; D211-L218 PolarHBondContact N-O 2.96Å; L214-L218 HydrophobicContact CB-CB 4.08Å; L214-L218 WeakPolarHBondContact O-CB 3.34Å; L214-L218 PolarHBondContact O-N 3.16Å; L218-K243 HydrophobicContact CD2-CB 3.69Å; L218-K243 HydrophobicContact CD2-CD 4.37Å; L218-K243 HydrophobicContact CD2-CG 3.75Å
219L98.1Very high90.9Very high0 Ų029.4 Ų29.40%018%0.175CC..EExtended strand (participates in β ladder)trans-105.9145.6173.4-63.684.5000110Y159 A160 V162 L169 V172 L176 F208 M209 L210 F221 L238Y159-L219 WeakPolarHBondContact CA-O 3.28Å; A160-L219 PolarHBondContact N-O 3.46Å; A160-L219 PolarHBondContact O-N 3.03Å; V162-L219 HydrophobicContact CG2-CD1 3.57Å; L169-L219 HydrophobicContact CD1-CD1 3.93Å; V172-L219 HydrophobicContact CG1-CD1 4.44Å; V172-L219 HydrophobicContact CG1-CD2 4.13Å; L176-L219 HydrophobicContact CD1-CD2 3.45Å; L176-L219 VanDerWaalsContact CD1-CD2 3.45Å; F208-L219 HydrophobicContact CD2-CD2 3.76Å; F208-L219 HydrophobicContact CE2-CD2 3.8Å; M209-L219 CarbonylContact O-C 3.56Å; M209-L219 WeakPolarHBondContact O-CA 3.34Å; L210-L219 HydrophobicContact CD2-CG 4.18Å; L219-F221 HydrophobicContact CB-CD2 4.43Å; L219-F221 HydrophobicContact CB-CE2 3.62Å; L219-F221 HydrophobicContact CB-CZ 4.16Å; L219-F221 HydrophobicContact CD2-CE2 4.48Å; L219-F221 HydrophobicContact CD2-CZ 4.22Å; L219-L238 HydrophobicContact CD1-CD1 4.09Å
220V97.4Very high90.4Very high0 Ų030.8 Ų30.80%018%0.182CC..EExtended strand (participates in β ladder)trans-119.3127.7-179.2-164.50000109.5P157 Y159 F196 V200 F208 M209 D211P157-V220 HydrophobicContact CB-CG1 3.81Å; P157-V220 HydrophobicContact CG-CG1 4.2Å; Y159-V220 HydrophobicContact CD1-CB 4.3Å; Y159-V220 HydrophobicContact CD1-CG1 4.15Å; Y159-V220 HydrophobicContact CD1-CG2 3.76Å; Y159-V220 HydrophobicContact CE1-CB 4.17Å; Y159-V220 HydrophobicContact CE1-CG1 3.74Å; Y159-V220 HydrophobicContact CE1-CG2 3.51Å; F196-V220 HydrophobicContact CZ-CG2 4.25Å; V200-V220 HydrophobicContact CG1-CG1 3.67Å; V200-V220 HydrophobicContact CG2-CG1 4.11Å; F208-V220 CarbonylContact C-O 3.51Å; F208-V220 VanDerWaalsContact CA-O 3.3Å; F208-V220 WeakPolarHBondContact CA-O 3.23Å; M209-V220 PolarHBondContact N-O 2.99Å; M209-V220 PolarHBondContact O-N 3.29Å; D211-V220 HydrophobicContact CB-CG2 3.92Å
221F94.4Very high90.2Very high0 Ų034.4 Ų34.40%020%0.198CC..EExtended strand (participates in β ladder)trans-121.5155.9-179.6-62.6-95.7000110.7P157 C158 A160 L176 F181 F208 L219 T225 L227P157-F221 WeakPolarHBondContact CA-O 3.39Å; P157-F221 VanDerWaalsContact CB-O 3.23Å; P157-F221 WeakPolarHBondContact CB-O 3.41Å; C158-F221 HydrophobicContact CB-CB 4.21Å; C158-F221 PolarHBondContact N-O 2.94Å; C158-F221 PolarHBondContact O-N 3.26Å; A160-F221 HydrophobicContact CB-CD2 4.31Å; A160-F221 HydrophobicContact CB-CE2 3.79Å; L176-F221 HydrophobicContact CD1-CE1 4.39Å; L176-F221 HydrophobicContact CD1-CZ 3.93Å; L176-F221 HydrophobicContact CD2-CE1 4.35Å; L176-F221 HydrophobicContact CD2-CZ 4.35Å; F181-F221 HydrophobicContact CD1-CD1 4.37Å; F181-F221 HydrophobicContact CD1-CE1 4.07Å; F181-F221 HydrophobicContact CE1-CD1 4.18Å; F181-F221 HydrophobicContact CE1-CE1 4.09Å; F208-F221 HydrophobicContact CB-CD1 3.57Å; F208-F221 HydrophobicContact CB-CE1 3.45Å; F208-F221 VanDerWaalsContact CB-CE1 3.45Å; F208-F221 HydrophobicContact CB-CG 4.22Å; F208-F221 HydrophobicContact CB-CZ 3.99Å; F208-F221 HydrophobicContact CG-CE1 4.06Å; F208-F221 HydrophobicContact CG-CZ 4.39Å; L219-F221 HydrophobicContact CB-CD2 4.43Å; L219-F221 HydrophobicContact CB-CE2 3.62Å; L219-F221 HydrophobicContact CB-CZ 4.16Å; L219-F221 HydrophobicContact CD2-CE2 4.48Å; L219-F221 HydrophobicContact CD2-CZ 4.22Å; F221-T225 HydrophobicContact CB-CG2 4.16Å; F221-T225 HydrophobicContact CD1-CG2 4.11Å; F221-T225 HydrophobicContact CG-CG2 4.37Å; F221-L227 HydrophobicContact CD1-CD2 3.97Å; F221-L227 HydrophobicContact CD2-CD1 4.03Å; F221-L227 HydrophobicContact CD2-CD2 3.91Å; F221-L227 HydrophobicContact CE1-CD2 3.95Å; F221-L227 HydrophobicContact CE2-CD1 4.38Å; F221-L227 HydrophobicContact CE2-CD2 3.91Å; F221-L227 HydrophobicContact CG-CD2 3.94Å; F221-L227 HydrophobicContact CZ-CD2 3.93Å
222P89.5Confident90.1Very high15 Ų1535 Ų3510%0.09720%0.201CC..  trans-52151.7169.3-15.218.6000111.6L203 D204 E207 T225L203-P222 HydrophobicContact CB-CB 4.42Å; L203-P222 HydrophobicContact CB-CG 3.72Å; D204-P222 WeakPolarHBondContact O-CG 3.36Å; E207-P222 WeakPolarHBondContact O-CD 3.41Å; P222-T225 WeakPolarHBondContact O-CB 3.47Å; P222-T225 PolarHBondContact O-N 3.2Å; P222-T225 PolarHBondContact O-OG1 2.84Å
223S83.4Confident90Very high50 Ų5036.2 Ų36.235%0.3521%0.206SC..THydrogen-bonded Turntrans-62.3142.4177.7-1610000112.3L155 L156 T225L155-S223 WeakPolarHBondContact CB-OG 3.46Å; L156-S223 WeakPolarHBondContact O-CB 3.47Å; L156-S223 PolarHBondContact O-OG 2.92Å; S223-T225 VanDerWaalsContact C-N 3.25Å; S223-T225 PolarHBondContact O-N 3.35Å
224G74.6Confident89.9Confident66 Ų6641.7 Ų41.768%0.6823%0.229SC*.THydrogen-bonded Turntrans77.15.7-179.500000114.7A226G224-A226 PolarHBondContact O-N 3.05Å
225T82.6Confident89.9Confident23 Ų2343.5 Ų43.514%0.14124%0.242CC..  trans-57.4124.8172.7-60.50000110F181 F221 P222 S223 L227F181-T225 HydrophobicContact CE1-CG2 4.26Å; F221-T225 HydrophobicContact CB-CG2 4.16Å; F221-T225 HydrophobicContact CD1-CG2 4.11Å; F221-T225 HydrophobicContact CG-CG2 4.37Å; P222-T225 WeakPolarHBondContact O-CB 3.47Å; P222-T225 PolarHBondContact O-N 3.2Å; P222-T225 PolarHBondContact O-OG1 2.84Å; S223-T225 VanDerWaalsContact C-N 3.25Å; S223-T225 PolarHBondContact O-N 3.35Å; T225-L227 HydrophobicContact CG2-CD2 3.75Å; T225-L227 HydrophobicContact CG2-CG 4.07Å; T225-L227 PolarHBondContact O-N 2.89Å
226A79.9Confident89.9Confident54 Ų5443.4 Ų43.445%0.44624%0.237SC..  trans-78.258.2-175.200000112.4G224 Y228 D229G224-A226 PolarHBondContact O-N 3.05Å; A226-Y228 PolarHBondContact O-N 3.33Å; A226-D229 PolarHBondContact O-N 3.25Å
227L84.9Confident90Very high2 Ų239.9 Ų39.91%0.0122%0.223CC..G310 helixtrans-56-27.9-177.5-65.4178.1000113.1C158 A160 F221 T225 D229 L230 Y233 I240C158-L227 HydrophobicContact CB-CD1 3.99Å; A160-L227 HydrophobicContact CB-CD1 3.94Å; F221-L227 HydrophobicContact CD1-CD2 3.97Å; F221-L227 HydrophobicContact CD2-CD1 4.03Å; F221-L227 HydrophobicContact CD2-CD2 3.91Å; F221-L227 HydrophobicContact CE1-CD2 3.95Å; F221-L227 HydrophobicContact CE2-CD1 4.38Å; F221-L227 HydrophobicContact CE2-CD2 3.91Å; F221-L227 HydrophobicContact CG-CD2 3.94Å; F221-L227 HydrophobicContact CZ-CD2 3.93Å; T225-L227 HydrophobicContact CG2-CD2 3.75Å; T225-L227 HydrophobicContact CG2-CG 4.07Å; T225-L227 PolarHBondContact O-N 2.89Å; L227-D229 PolarHBondContact O-N 3.19Å; L227-L230 HydrophobicContact CD2-CD1 3.67Å; L227-L230 WeakPolarHBondContact O-CB 3.06Å; L227-L230 PolarHBondContact O-N 3.37Å; L227-Y233 WeakPolarHBondContact O-CB 3.46Å; L227-I240 HydrophobicContact CB-CD1 3.73Å; L227-I240 HydrophobicContact CB-CG1 4.09Å; L227-I240 HydrophobicContact CD1-CD1 4.4Å; L227-I240 HydrophobicContact CD1-CG1 4.03Å
228Y83.7Confident90Very high122 Ų12239.8 Ų39.848%0.47822%0.223SC..G310 helixtrans-61.4-26178.1-60.5-82.5000114.3A226 Y233 I240A226-Y228 PolarHBondContact O-N 3.33Å; Y228-Y233 HydrophobicContact CD1-CD1 4.21Å; Y228-Y233 AromaticContact CD1-CE1 3.5Å; Y228-Y233 HydrophobicContact CD1-CE1 3.5Å; Y228-Y233 VanDerWaalsContact CD1-CE1 3.5Å; Y228-Y233 HydrophobicContact CD1-CE2 4.14Å; Y228-Y233 AromaticContact CD1-CZ 3.44Å; Y228-Y233 VanDerWaalsContact CD1-CZ 3.44Å; Y228-Y233 WeakPolarHBondContact CD1-OH 3.43Å; Y228-Y233 HydrophobicContact CE1-CE1 4.26Å; Y228-Y233 HydrophobicContact CE1-CE2 4.24Å; Y228-Y233 AromaticContact CE1-CZ 3.73Å; Y228-Y233 WeakPolarHBondContact CE1-OH 3.41Å; Y228-Y233 HydrophobicContact CG-CE1 4.34Å; Y228-I240 HydrophobicContact CD1-CD1 3.78Å; Y228-I240 HydrophobicContact CD2-CD1 4.01Å; Y228-I240 HydrophobicContact CE1-CD1 3.45Å; Y228-I240 VanDerWaalsContact CE1-CD1 3.45Å; Y228-I240 HydrophobicContact CE2-CD1 3.69Å; Y228-I240 HydrophobicContact CG-CD1 4.04Å
229D80.4Confident90Very high79 Ų7940.4 Ų40.442%0.42223%0.226SC..G310 helixtrans-87.1-15.8-177.8-63.5-34.1000111.8R40 A226 L227 K234R40-D229 IonicContact NH1-OD1 3.59Å; R40-D229 IonicContact NH2-OD1 2.65Å; A226-D229 PolarHBondContact O-N 3.25Å; L227-D229 PolarHBondContact O-N 3.19Å; D229-K234 WeakPolarHBondContact O-CE 3.35Å; D229-K234 PolarHBondContact O-NZ 3.33Å
230L88Confident89.7Confident28 Ų2842.4 Ų42.415%0.14724%0.236CC..SBendtrans-67.9140.6177.9-60.3179.8000111.8L176 F181 L227 L232 Y233 K234L176-L230 HydrophobicContact CD2-CD1 4.1Å; F181-L230 HydrophobicContact CE2-CD1 4.44Å; F181-L230 HydrophobicContact CE2-CD2 3.69Å; F181-L230 HydrophobicContact CZ-CD1 4.26Å; F181-L230 HydrophobicContact CZ-CD2 3.98Å; L227-L230 HydrophobicContact CD2-CD1 3.67Å; L227-L230 WeakPolarHBondContact O-CB 3.06Å; L227-L230 PolarHBondContact O-N 3.37Å; L230-L232 PolarHBondContact O-N 2.83Å; L230-Y233 PolarHBondContact O-N 2.8Å; L230-K234 PolarHBondContact O-N 2.69Å; L230-K234 VanDerWaalsContact O-N 3.14Å
231E92.9Very high89.6Confident111 Ų11142.7 Ų42.752%0.51924%0.238SC..Hα-helixtrans-61.8-32.6176.1-169.652.2-142.600112.2Y233 K234 S235E231-Y233 VanDerWaalsContact C-N 3.28Å; E231-Y233 PolarHBondContact O-N 3.31Å; E231-K234 PolarHBondContact O-N 3Å; E231-S235 VanDerWaalsContact O-CB 3.3Å; E231-S235 WeakPolarHBondContact O-CB 3.45Å; E231-S235 PolarHBondContact O-N 2.75Å; E231-S235 PolarHBondContact O-OG 3.33Å
232L95.3Very high89.5Confident12 Ų1243.2 Ų43.26%0.06324%0.24CC..Hα-helixtrans-58.7-37.4173.8-72.5167.6000112.7V172 K175 L176 L230 S235 K236 S237 L238V172-L232 HydrophobicContact CG1-CD1 4.3Å; V172-L232 HydrophobicContact CG2-CD2 4.4Å; K175-L232 HydrophobicContact CB-CD1 4.18Å; K175-L232 HydrophobicContact CB-CD2 4.01Å; K175-L232 HydrophobicContact CB-CG 4.37Å; K175-L232 HydrophobicContact CG-CD1 4.09Å; K175-L232 HydrophobicContact CG-CD2 3.8Å; K175-L232 HydrophobicContact CG-CG 3.9Å; L176-L232 HydrophobicContact CD2-CD1 3.68Å; L176-L232 HydrophobicContact CG-CD1 3.63Å; L230-L232 PolarHBondContact O-N 2.83Å; L232-S235 PolarHBondContact O-OG 3.05Å; L232-K236 PolarHBondContact O-N 3.44Å; L232-S237 WeakPolarHBondContact O-CA 3.27Å; L232-S237 WeakPolarHBondContact O-CB 3.45Å; L232-S237 PolarHBondContact O-N 3.42Å; L232-L238 HydrophobicContact CB-CB 3.96Å; L232-L238 PolarHBondContact O-N 3.22Å
233Y93Very high89.8Confident55 Ų5542.5 Ų42.522%0.21624%0.236CC..Hα-helixtrans-76.7-41.5176.3177.7-94000111.9L227 Y228 L230 E231 K236 I240L227-Y233 WeakPolarHBondContact O-CB 3.46Å; Y228-Y233 HydrophobicContact CD1-CD1 4.21Å; Y228-Y233 AromaticContact CD1-CE1 3.5Å; Y228-Y233 HydrophobicContact CD1-CE1 3.5Å; Y228-Y233 VanDerWaalsContact CD1-CE1 3.5Å; Y228-Y233 HydrophobicContact CD1-CE2 4.14Å; Y228-Y233 AromaticContact CD1-CZ 3.44Å; Y228-Y233 VanDerWaalsContact CD1-CZ 3.44Å; Y228-Y233 WeakPolarHBondContact CD1-OH 3.43Å; Y228-Y233 HydrophobicContact CE1-CE1 4.26Å; Y228-Y233 HydrophobicContact CE1-CE2 4.24Å; Y228-Y233 AromaticContact CE1-CZ 3.73Å; Y228-Y233 WeakPolarHBondContact CE1-OH 3.41Å; Y228-Y233 HydrophobicContact CG-CE1 4.34Å; L230-Y233 PolarHBondContact O-N 2.8Å; E231-Y233 VanDerWaalsContact C-N 3.28Å; E231-Y233 PolarHBondContact O-N 3.31Å; Y233-K236 PolarHBondContact O-N 2.86Å; Y233-K236 VanDerWaalsContact O-N 3.14Å; Y233-I240 HydrophobicContact CD2-CD1 3.75Å; Y233-I240 HydrophobicContact CD2-CG1 3.82Å; Y233-I240 HydrophobicContact CE2-CB 4.29Å; Y233-I240 HydrophobicContact CE2-CD1 3.55Å; Y233-I240 HydrophobicContact CE2-CG1 3.76Å
234K91.9Very high90.4Very high119 Ų11940.1 Ų40.152%0.51722%0.219SC..Hα-helixtrans-62.4-45.6179.1-69.4169.5178.2158.70111.9D229 L230 E231 K236D229-K234 WeakPolarHBondContact O-CE 3.35Å; D229-K234 PolarHBondContact O-NZ 3.33Å; L230-K234 PolarHBondContact O-N 2.69Å; L230-K234 VanDerWaalsContact O-N 3.14Å; E231-K234 PolarHBondContact O-N 3Å; K234-K236 PolarHBondContact O-N 3.2Å
235S95.1Very high91.4Very high40 Ų4038.1 Ų38.128%0.2820%0.195SC..THydrogen-bonded Turntrans-68.8-11.1175.260.10000114.3K166 E231 L232 S237K166-S235 VanDerWaalsContact CD-O 3.32Å; K166-S235 WeakPolarHBondContact CD-O 3.47Å; K166-S235 PolarHBondContact NZ-O 3.36Å; E231-S235 VanDerWaalsContact O-CB 3.3Å; E231-S235 WeakPolarHBondContact O-CB 3.45Å; E231-S235 PolarHBondContact O-N 2.75Å; E231-S235 PolarHBondContact O-OG 3.33Å; L232-S235 PolarHBondContact O-OG 3.05Å; S235-S237 VanDerWaalsContact C-N 3.27Å; S235-S237 PolarHBondContact OG-OG 3.46Å
236K95.9Very high92.1Very high41 Ų4137 Ų3718%0.17819%0.188CC..THydrogen-bonded Turntrans65.322.7-171.2-50.7-62.4-179.8-174.80115N163 K166 L232 Y233 K234 L239 V303N163-K236 WeakPolarHBondContact CB-O 3.37Å; N163-K236 PolarHBondContact ND2-O 2.71Å; K166-K236 HydrophobicContact CD-CB 4.05Å; L232-K236 PolarHBondContact O-N 3.44Å; Y233-K236 PolarHBondContact O-N 2.86Å; Y233-K236 VanDerWaalsContact O-N 3.14Å; K234-K236 PolarHBondContact O-N 3.2Å; K236-L239 HydrophobicContact CB-CD2 4.39Å; K236-L239 HydrophobicContact CD-CD2 4.39Å; K236-V303 HydrophobicContact CD-CG1 4.29Å; K236-V303 HydrophobicContact CG-CG1 3.88Å
237S96.6Very high92.9Very high18 Ų1834.5 Ų34.513%0.12617%0.167CC..SBendtrans-70.2-26.6169-570000111.3N163 T167 L232 S235N163-S237 PolarHBondContact N-O 3.03Å; T167-S237 WeakPolarHBondContact CG2-O 3.31Å; L232-S237 WeakPolarHBondContact O-CA 3.27Å; L232-S237 WeakPolarHBondContact O-CB 3.45Å; L232-S237 PolarHBondContact O-N 3.42Å; S235-S237 VanDerWaalsContact C-N 3.27Å; S235-S237 PolarHBondContact OG-OG 3.46Å
238L95.5Very high93.5Very high1 Ų134.4 Ų34.41%0.00517%0.166CC..EExtended strand (participates in β ladder)trans-130.9133.3180-166.872000111.3A160 V172 L219 L232A160-L238 HydrophobicContact CB-CD1 3.7Å; A160-L238 HydrophobicContact CB-CD2 3.56Å; A160-L238 HydrophobicContact CB-CG 3.55Å; V172-L238 HydrophobicContact CG1-CD1 4.1Å; L219-L238 HydrophobicContact CD1-CD1 4.09Å; L232-L238 HydrophobicContact CB-CB 3.96Å; L232-L238 PolarHBondContact O-N 3.22Å
239L96.1Very high94.1Very high13 Ų1328.6 Ų28.67%0.06814%0.143CC..EExtended strand (participates in β ladder)trans-118.2124.9-174.8-51.8179.3000110.8A160 R161 N163 K236 Q241 L272 N304A160-L239 CarbonylContact C-O 3.51Å; A160-L239 WeakPolarHBondContact CA-O 3.41Å; R161-L239 PolarHBondContact N-O 3.31Å; R161-L239 PolarHBondContact O-N 2.93Å; N163-L239 HydrophobicContact CB-CD1 4.01Å; N163-L239 HydrophobicContact CB-CD2 4.44Å; N163-L239 HydrophobicContact CB-CG 4.03Å; K236-L239 HydrophobicContact CB-CD2 4.39Å; K236-L239 HydrophobicContact CD-CD2 4.39Å; L239-Q241 PolarHBondContact O-N 3.26Å; L239-L272 HydrophobicContact CD1-CD1 4.12Å; L239-N304 WeakPolarHBondContact CD2-OD1 3.5Å
240I93.3Very high94.9Very high42 Ų4226.1 Ų26.122%0.21513%0.129CC..EExtended strand (participates in β ladder)trans-75.9111.7176.2-61.4167.7000108.6L227 Y228 Y233L227-I240 HydrophobicContact CB-CD1 3.73Å; L227-I240 HydrophobicContact CB-CG1 4.09Å; L227-I240 HydrophobicContact CD1-CD1 4.4Å; L227-I240 HydrophobicContact CD1-CG1 4.03Å; Y228-I240 HydrophobicContact CD1-CD1 3.78Å; Y228-I240 HydrophobicContact CD2-CD1 4.01Å; Y228-I240 HydrophobicContact CE1-CD1 3.45Å; Y228-I240 VanDerWaalsContact CE1-CD1 3.45Å; Y228-I240 HydrophobicContact CE2-CD1 3.69Å; Y228-I240 HydrophobicContact CG-CD1 4.04Å; Y233-I240 HydrophobicContact CD2-CD1 3.75Å; Y233-I240 HydrophobicContact CD2-CG1 3.82Å; Y233-I240 HydrophobicContact CE2-CB 4.29Å; Y233-I240 HydrophobicContact CE2-CD1 3.55Å; Y233-I240 HydrophobicContact CE2-CG1 3.76Å
241Q94Very high95.3Very high6 Ų625 Ų253%0.02812%0.124CC..  trans-145.7135.3-179.2-175.7170.2-0.400109.3Y159 L239 S245Y159-Q241 WeakPolarHBondContact CB-O 3.33Å; Y159-Q241 PolarHBondContact O-N 3.06Å; L239-Q241 PolarHBondContact O-N 3.26Å; Q241-S245 PolarHBondContact NE2-O 2.84Å; Q241-S245 PolarHBondContact NE2-OG 2.78Å
242D93.3Very high95.6Very high11 Ų1119.8 Ų19.86%0.05910%0.099CC..  trans-62.9142.6176.2-170.871000111.4A244 S245 C246 R372 N510D242-A244 VanDerWaalsContact C-N 3.33Å; D242-A244 PolarHBondContact O-N 2.86Å; D242-A244 PolarHBondContact OD2-N 3.35Å; D242-S245 WeakPolarHBondContact O-CA 3.43Å; D242-S245 WeakPolarHBondContact O-CB 3.45Å; D242-S245 PolarHBondContact O-N 3.4Å; D242-C246 PolarHBondContact O-N 2.73Å; D242-R372 IonicContact OD1-CZ 3.18Å; D242-R372 IonicContact OD1-NH1 2.66Å; D242-R372 IonicContact OD1-NH2 2.79Å; D242-R372 PolarHBondContact OD1-NH2 2.6Å; D242-N510 WeakPolarHBondContact CB-ND2 3.28Å; D242-N510 PolarHBondContact OD1-ND2 3.19Å; D242-N510 PolarHBondContact OD2-N 3.31Å; D242-N510 PolarHBondContact OD2-ND2 3.37Å
243K95.6Very high95.6Very high0 Ų025.1 Ų25.10%012%0.124CC..G310 helixtrans-52-48.3180175.4174.6-178.9168.70112.9Y159 Y193 D211 H213 L218 S245 C246 F247 T509Y159-K243 HydrophobicContact CD1-CB 3.93Å; Y159-K243 HydrophobicContact CD2-CB 4.06Å; Y159-K243 HydrophobicContact CE1-CB 3.79Å; Y159-K243 HydrophobicContact CE1-CD 3.81Å; Y159-K243 HydrophobicContact CE1-CG 4.34Å; Y159-K243 HydrophobicContact CE2-CB 3.93Å; Y159-K243 HydrophobicContact CG-CB 4.04Å; Y193-K243 PolarHBondContact OH-NZ 2.98Å; D211-K243 VanDerWaalsContact CG-CE 3.48Å; D211-K243 VanDerWaalsContact CG-NZ 3.28Å; D211-K243 WeakPolarHBondContact OD1-CD 3.45Å; D211-K243 WeakPolarHBondContact OD1-CE 3.45Å; D211-K243 IonicContact OD1-NZ 3.23Å; D211-K243 PolarHBondContact OD1-NZ 2.97Å; D211-K243 WeakPolarHBondContact OD2-CE 3.42Å; D211-K243 IonicContact OD2-NZ 3.48Å; D211-K243 PolarHBondContact OD2-NZ 2.94Å; D211-K243 VanDerWaalsContact OD2-NZ 3.07Å; H213-K243 VanDerWaalsContact ND1-CE 3.33Å; H213-K243 WeakPolarHBondContact ND1-CE 3.39Å; H213-K243 PolarHBondContact ND1-NZ 2.91Å; L218-K243 HydrophobicContact CD2-CB 3.69Å; L218-K243 HydrophobicContact CD2-CD 4.37Å; L218-K243 HydrophobicContact CD2-CG 3.75Å; K243-S245 PolarHBondContact O-N 3.49Å; K243-C246 WeakPolarHBondContact O-CB 3.46Å; K243-C246 PolarHBondContact O-N 3.29Å; K243-F247 HydrophobicContact CG-CE1 3.8Å; K243-F247 HydrophobicContact CG-CZ 4.05Å; K243-F247 WeakPolarHBondContact O-CD1 3.46Å; K243-F247 WeakPolarHBondContact O-CE1 3.37Å; K243-T509 HydrophobicContact CB-CG2 3.86Å; K243-T509 HydrophobicContact CD-CG2 3.9Å; K243-T509 HydrophobicContact CG-CG2 4.06Å
244A95.4Very high95.8Very high0 Ų023 Ų230%012%0.116CC..G310 helixtrans-65.7-28.3-178.300000112.3D242 C246 F247 S503 T509 F512D242-A244 VanDerWaalsContact C-N 3.33Å; D242-A244 PolarHBondContact O-N 2.86Å; D242-A244 PolarHBondContact OD2-N 3.35Å; A244-C246 PolarHBondContact O-N 3.33Å; A244-F247 HydrophobicContact CB-CD2 4.27Å; A244-F247 HydrophobicContact CB-CE2 4.1Å; A244-F247 VanDerWaalsContact O-CB 3.32Å; A244-F247 WeakPolarHBondContact O-CB 3.4Å; A244-F247 WeakPolarHBondContact O-CG 3.45Å; A244-F247 PolarHBondContact O-N 3.48Å; A244-F247 VanDerWaalsContact O-N 3.16Å; A244-S503 WeakPolarHBondContact CB-OG 3.48Å; A244-T509 HydrophobicContact CB-CG2 4.44Å; A244-F512 HydrophobicContact CB-CB 3.59Å; A244-F512 HydrophobicContact CB-CD1 3.95Å; A244-F512 HydrophobicContact CB-CD2 4.48Å; A244-F512 HydrophobicContact CB-CG 3.78Å; A244-F512 WeakPolarHBondContact O-CE1 3.1Å
245S95.1Very high96Very high24 Ų2421 Ų2117%0.16811%0.111CC..G310 helixtrans-67.3-20.7175.3-159.80000113.2Q241 D242 K243 F247 K270Q241-S245 PolarHBondContact NE2-O 2.84Å; Q241-S245 PolarHBondContact NE2-OG 2.78Å; D242-S245 WeakPolarHBondContact O-CA 3.43Å; D242-S245 WeakPolarHBondContact O-CB 3.45Å; D242-S245 PolarHBondContact O-N 3.4Å; K243-S245 PolarHBondContact O-N 3.49Å; S245-F247 VanDerWaalsContact C-N 3.33Å; S245-K270 WeakPolarHBondContact O-CE 3.38Å; S245-K270 PolarHBondContact OG-NZ 3.03Å
246C97.3Very high96Very high0 Ų022.1 Ų22.10%012%0.118CC..G310 helixtrans-82.4-12.9177-55.10000112.4L214 L217 D242 K243 A244 G248 E250 Q273L214-C246 HydrophobicContact CD1-CB 3.73Å; L217-C246 HydrophobicContact CD1-CB 4.35Å; D242-C246 PolarHBondContact O-N 2.73Å; K243-C246 WeakPolarHBondContact O-CB 3.46Å; K243-C246 PolarHBondContact O-N 3.29Å; A244-C246 PolarHBondContact O-N 3.33Å; C246-G248 VanDerWaalsContact C-N 3.35Å; C246-G248 PolarHBondContact O-N 2.96Å; C246-E250 WeakPolarHBondContact O-CG 3.23Å; C246-Q273 PolarHBondContact O-NE2 3.02Å; C246-Q273 VanDerWaalsContact O-NE2 3.09Å
247F97.2Very high96Very high0 Ų024.2 Ų24.20%013%0.131CC..Hα-helixtrans-66.9-35.8-175.3-65.4-6.7000112.5L214 K243 A244 S245 E250 I251 W460 W486 I501 I514L214-F247 HydrophobicContact CD1-CD1 4.1Å; L214-F247 HydrophobicContact CD1-CE1 4.18Å; K243-F247 HydrophobicContact CG-CE1 3.8Å; K243-F247 HydrophobicContact CG-CZ 4.05Å; K243-F247 WeakPolarHBondContact O-CD1 3.46Å; K243-F247 WeakPolarHBondContact O-CE1 3.37Å; A244-F247 HydrophobicContact CB-CD2 4.27Å; A244-F247 HydrophobicContact CB-CE2 4.1Å; A244-F247 VanDerWaalsContact O-CB 3.32Å; A244-F247 WeakPolarHBondContact O-CB 3.4Å; A244-F247 WeakPolarHBondContact O-CG 3.45Å; A244-F247 PolarHBondContact O-N 3.48Å; A244-F247 VanDerWaalsContact O-N 3.16Å; S245-F247 VanDerWaalsContact C-N 3.33Å; F247-E250 PolarHBondContact O-N 2.93Å; F247-I251 HydrophobicContact CB-CD1 3.77Å; F247-I251 VanDerWaalsContact O-CB 3.3Å; F247-I251 WeakPolarHBondContact O-CB 3.09Å; F247-I251 WeakPolarHBondContact O-CD1 3.35Å; F247-I251 VanDerWaalsContact O-CG1 3.23Å; F247-I251 WeakPolarHBondContact O-CG1 3.34Å; F247-I251 PolarHBondContact O-N 3.08Å; F247-W460 HydrophobicContact CB-CH2 4.2Å; F247-W460 AromaticContact CD1-CH2 3.53Å; F247-W460 HydrophobicContact CD1-CH2 3.53Å; F247-W460 AromaticContact CD1-CZ3 3.85Å; F247-W460 HydrophobicContact CD1-CZ3 3.85Å; F247-W460 HydrophobicContact CD2-CH2 4.4Å; F247-W460 HydrophobicContact CD2-CZ3 4.09Å; F247-W460 AromaticContact CE1-CH2 3.93Å; F247-W460 HydrophobicContact CE1-CH2 3.93Å; F247-W460 AromaticContact CE1-CZ3 3.9Å; F247-W460 HydrophobicContact CE1-CZ3 3.9Å; F247-W460 HydrophobicContact CE2-CZ3 4.14Å; F247-W460 AromaticContact CG-CH2 3.8Å; F247-W460 HydrophobicContact CG-CH2 3.8Å; F247-W460 AromaticContact CG-CZ3 3.96Å; F247-W460 HydrophobicContact CG-CZ3 3.96Å; F247-W460 HydrophobicContact CZ-CZ3 4.07Å; F247-W486 HydrophobicContact CE1-CZ3 4.43Å; F247-W486 HydrophobicContact CE2-CD2 4.45Å; F247-W486 HydrophobicContact CE2-CE3 4.2Å; F247-W486 AromaticContact CE2-CH2 3.9Å; F247-W486 HydrophobicContact CE2-CH2 3.9Å; F247-W486 HydrophobicContact CE2-CZ2 4.18Å; F247-W486 AromaticContact CE2-CZ3 3.92Å; F247-W486 HydrophobicContact CE2-CZ3 3.92Å; F247-W486 AromaticContact CZ-CE3 3.91Å; F247-W486 HydrophobicContact CZ-CE3 3.91Å; F247-W486 AromaticContact CZ-CH2 3.66Å; F247-W486 HydrophobicContact CZ-CH2 3.66Å; F247-W486 HydrophobicContact CZ-CZ2 4.38Å; F247-W486 AromaticContact CZ-CZ3 3.39Å; F247-W486 HydrophobicContact CZ-CZ3 3.39Å; F247-I501 HydrophobicContact CD2-CG2 4.43Å; F247-I501 HydrophobicContact CE2-CG2 4.39Å; F247-I514 HydrophobicContact CB-CD1 4.11Å
248G97.4Very high96.1Very high0 Ų023.4 Ų23.40%013%0.125CC..Hα-helixtrans-50.2-64.8-177.300000113.2C246 E250 I251 L252C246-G248 VanDerWaalsContact C-N 3.35Å; C246-G248 PolarHBondContact O-N 2.96Å; G248-E250 PolarHBondContact O-N 2.99Å; G248-I251 PolarHBondContact O-N 3.22Å; G248-L252 WeakPolarHBondContact O-CB 3.35Å; G248-L252 PolarHBondContact O-N 2.91Å
249P97.6Very high96.2Very high0 Ų023.9 Ų23.90%013%0.128CC..Hα-helixtrans-59.3-41.9176.8-27.337.5000114I251 L252 Q253 K270 Q273 L274 M277 L359P249-I251 VanDerWaalsContact C-N 3.29Å; P249-I251 PolarHBondContact O-N 3.35Å; P249-L252 PolarHBondContact O-N 3.44Å; P249-Q253 PolarHBondContact O-N 3.34Å; P249-K270 HydrophobicContact CG-CB 3.97Å; P249-K270 HydrophobicContact CG-CG 4.46Å; P249-Q273 HydrophobicContact CB-CB 4.11Å; P249-Q273 HydrophobicContact CB-CG 3.77Å; P249-Q273 HydrophobicContact CG-CB 3.97Å; P249-Q273 HydrophobicContact CG-CG 4.08Å; P249-L274 HydrophobicContact CB-CD2 3.85Å; P249-L274 HydrophobicContact CB-CG 4.14Å; P249-L274 HydrophobicContact CG-CD2 4.32Å; P249-L274 HydrophobicContact CG-CG 4.17Å; P249-M277 HydrophobicContact CB-SD 3.88Å; P249-M277 WeakPolarHBondContact O-CE 3.37Å; P249-L359 HydrophobicContact CG-CD2 4.39Å
250E96.4Very high96.3Very high28 Ų2823.2 Ų23.213%0.13113%0.125CC..Hα-helixtrans-64.2-31179.8-64.9-61.3132.900113.6L214 H216 L217 C246 F247 G248 Q253 Q273 W460L214-E250 HydrophobicContact CD1-CG 4.3Å; L214-E250 HydrophobicContact CD2-CB 4.31Å; L214-E250 HydrophobicContact CD2-CG 3.73Å; H216-E250 IonicContact CE1-OE2 2.96Å; H216-E250 PolarHBondContact CE1-OE2 3.46Å; H216-E250 IonicContact NE2-OE1 2.85Å; H216-E250 IonicContact NE2-OE2 2.61Å; H216-E250 PolarHBondContact NE2-OE2 3.37Å; L217-E250 VanDerWaalsContact CD2-CD 3.46Å; L217-E250 HydrophobicContact CD2-CG 4.03Å; L217-E250 WeakPolarHBondContact CD2-OE1 3.07Å; C246-E250 WeakPolarHBondContact O-CG 3.23Å; F247-E250 PolarHBondContact O-N 2.93Å; G248-E250 PolarHBondContact O-N 2.99Å; E250-Q253 WeakPolarHBondContact O-CG 3.46Å; E250-Q273 VanDerWaalsContact CG-NE2 3.33Å; E250-Q273 PolarHBondContact OE1-NE2 3.37Å; E250-W460 HydrophobicContact CB-CZ2 4.3Å
251I97.2Very high96.6Very high5 Ų521.2 Ų21.23%0.02611%0.114CC..Hα-helixtrans-84.7-34.5177.1-69.1163.3000110.4F247 G248 P249 Q253 R426 V428 I459 W460 I514 L516F247-I251 HydrophobicContact CB-CD1 3.77Å; F247-I251 VanDerWaalsContact O-CB 3.3Å; F247-I251 WeakPolarHBondContact O-CB 3.09Å; F247-I251 WeakPolarHBondContact O-CD1 3.35Å; F247-I251 VanDerWaalsContact O-CG1 3.23Å; F247-I251 WeakPolarHBondContact O-CG1 3.34Å; F247-I251 PolarHBondContact O-N 3.08Å; G248-I251 PolarHBondContact O-N 3.22Å; P249-I251 VanDerWaalsContact C-N 3.29Å; P249-I251 PolarHBondContact O-N 3.35Å; I251-Q253 VanDerWaalsContact C-N 3.29Å; I251-Q253 PolarHBondContact O-N 2.99Å; I251-R426 PolarHBondContact O-NH2 3.14Å; I251-R426 VanDerWaalsContact O-NH2 3.1Å; I251-V428 HydrophobicContact CB-CG2 4.45Å; I251-V428 HydrophobicContact CG2-CG2 3.99Å; I251-I459 HydrophobicContact CD1-CD1 4.27Å; I251-I459 HydrophobicContact CD1-CG2 3.57Å; I251-I459 HydrophobicContact CG1-CG2 3.68Å; I251-I459 HydrophobicContact CG2-CD1 4.15Å; I251-I459 HydrophobicContact CG2-CG1 4.13Å; I251-I459 HydrophobicContact CG2-CG2 4.12Å; I251-W460 HydrophobicContact CD1-CH2 4.24Å; I251-W460 HydrophobicContact CD1-CZ2 4.22Å; I251-W460 HydrophobicContact CG1-CH2 4.22Å; I251-W460 HydrophobicContact CG1-CZ2 3.71Å; I251-I514 HydrophobicContact CB-CD1 4.47Å; I251-I514 HydrophobicContact CD1-CD1 3.53Å; I251-I514 HydrophobicContact CD1-CG1 4Å; I251-I514 HydrophobicContact CD1-CG2 3.91Å; I251-L516 HydrophobicContact CG2-CB 3.91Å; I251-L516 HydrophobicContact CG2-CD1 4.38Å; I251-L516 HydrophobicContact CG2-CD2 3.82Å; I251-L516 HydrophobicContact CG2-CG 4.25Å
252L97.8Very high96.8Very high0 Ų021 Ų210%011%0.114CC..Hα-helixtrans-61.2-41.1179.6-172.266.5000111G248 P249 V260 L274 I358 L359 R426 V428G248-L252 WeakPolarHBondContact O-CB 3.35Å; G248-L252 PolarHBondContact O-N 2.91Å; P249-L252 PolarHBondContact O-N 3.44Å; L252-V260 HydrophobicContact CD2-CG1 3.95Å; L252-L274 HydrophobicContact CD2-CD2 3.9Å; L252-I358 WeakPolarHBondContact CD1-O 3.39Å; L252-L359 HydrophobicContact CD2-CB 4.15Å; L252-R426 HydrophobicContact CD1-CB 4.22Å; L252-R426 PolarHBondContact O-NE 2.98Å; L252-V428 HydrophobicContact CB-CB 4.47Å; L252-V428 HydrophobicContact CB-CG2 3.78Å; L252-V428 HydrophobicContact CD1-CB 4.04Å; L252-V428 HydrophobicContact CD1-CG2 3.65Å; L252-V428 HydrophobicContact CG-CG2 4.33Å
253Q95.2Very high97Very high125 Ų12520.6 Ų20.658%0.58411%0.111SC*.  trans41.261.2-179.7-60.2-169.7-31.500112.1P249 E250 I251P249-Q253 PolarHBondContact O-N 3.34Å; E250-Q253 WeakPolarHBondContact O-CG 3.46Å; I251-Q253 VanDerWaalsContact C-N 3.29Å; I251-Q253 PolarHBondContact O-N 2.99Å
254P97Very high97Very high9 Ų921.6 Ų21.66%0.05812%0.118CC..  trans-63.5149.9-177.429.8-36.4000111P256 V260 L274 M277 L278P254-P256 WeakPolarHBondContact O-CD 3.44Å; P254-V260 HydrophobicContact CB-CG2 3.47Å; P254-V260 VanDerWaalsContact CB-CG2 3.47Å; P254-V260 HydrophobicContact CG-CG2 4.07Å; P254-L274 HydrophobicContact CG-CD2 4.23Å; P254-M277 HydrophobicContact CG-CB 4.46Å; P254-L278 HydrophobicContact CB-CD2 4.04Å; P254-L278 HydrophobicContact CG-CD2 3.94Å; P254-L278 HydrophobicContact CG-CG 4.34Å
255D96.6Very high97.1Very high77 Ų7721.9 Ų21.941%0.41212%0.121SC..  trans-62.7126.3169.6178.6-46.4000108.6N257 S258 L278D255-N257 PolarHBondContact O-N 2.8Å; D255-N257 PolarHBondContact OD1-N 2.82Å; D255-S258 WeakPolarHBondContact CB-OG 3.29Å; D255-S258 PolarHBondContact O-N 2.96Å; D255-S258 PolarHBondContact O-OG 3.22Å; D255-L278 WeakPolarHBondContact O-CD2 3.24Å
256P96.5Very high97Very high64 Ų6421 Ų2142%0.41612%0.115SC..THydrogen-bonded Turntrans-55-20.6-176.9-28.435.6000115.7P254 S279P254-P256 WeakPolarHBondContact O-CD 3.44Å; P256-S279 VanDerWaalsContact O-CB 3.24Å; P256-S279 WeakPolarHBondContact O-CB 3.42Å; P256-S279 PolarHBondContact O-N 3.47Å; P256-S279 PolarHBondContact O-OG 2.94Å
257N95.8Very high96.8Very high85 Ų8524.1 Ų24.146%0.45514%0.135SC..THydrogen-bonded Turntrans-107.9-0.6-179.7-55.2-70.8000113.2D255 S279D255-N257 PolarHBondContact O-N 2.8Å; D255-N257 PolarHBondContact OD1-N 2.82Å; N257-S279 PolarHBondContact OD1-OG 3.45Å
258S97Very high96.7Very high1 Ų124.1 Ų24.11%0.00714%0.135CC..SBendtrans-93.7158.817672.80000112.2D255 S282D255-S258 WeakPolarHBondContact CB-OG 3.29Å; D255-S258 PolarHBondContact O-N 2.96Å; D255-S258 PolarHBondContact O-OG 3.22Å; S258-S282 WeakPolarHBondContact O-CB 3.23Å
259D98.2Very high96.6Very high11 Ų1126.5 Ų26.56%0.05915%0.148CC..EExtended strand (participates in β ladder)trans-84.1149.7175.1-63-10.4000111.5T283 F285 N354 V355 Q356D259-T283 VanDerWaalsContact CA-O 3.23Å; D259-T283 WeakPolarHBondContact CA-O 3.38Å; D259-T283 VanDerWaalsContact CB-O 3.27Å; D259-T283 WeakPolarHBondContact CB-O 3.26Å; D259-T283 PolarHBondContact OD1-N 3.05Å; D259-F285 HydrophobicContact CB-CD2 4.39Å; D259-F285 HydrophobicContact CB-CE2 3.82Å; D259-N354 HydrophobicContact CB-CB 4.37Å; D259-N354 WeakPolarHBondContact CB-O 3.42Å; D259-N354 PolarHBondContact N-O 3.35Å; D259-N354 PolarHBondContact OD1-ND2 2.98Å; D259-N354 WeakPolarHBondContact OD2-CB 3.45Å; D259-V355 HydrophobicContact CB-CG2 4.01Å; D259-V355 WeakPolarHBondContact O-CA 3.45Å; D259-Q356 PolarHBondContact O-N 3.03Å
260V98.6Very high96.6Very high0 Ų027.2 Ų27.20%015%0.151CC..EExtended strand (participates in β ladder)trans-123.1140-179.6-176.60000109.9L252 P254 L274 L278 T283 I284 F285 S357L252-V260 HydrophobicContact CD2-CG1 3.95Å; P254-V260 HydrophobicContact CB-CG2 3.47Å; P254-V260 VanDerWaalsContact CB-CG2 3.47Å; P254-V260 HydrophobicContact CG-CG2 4.07Å; V260-L274 HydrophobicContact CG1-CD1 3.93Å; V260-L274 HydrophobicContact CG1-CD2 4.35Å; V260-L278 HydrophobicContact CB-CD1 4.2Å; V260-L278 HydrophobicContact CG2-CD1 3.66Å; V260-L278 HydrophobicContact CG2-CD2 4.01Å; V260-L278 HydrophobicContact CG2-CG 4.4Å; V260-T283 PolarHBondContact N-O 3.29Å; V260-I284 CarbonylContact O-C 3.55Å; V260-I284 VanDerWaalsContact O-CA 3.31Å; V260-I284 WeakPolarHBondContact O-CA 3.33Å; V260-F285 PolarHBondContact O-N 3.16Å; V260-S357 WeakPolarHBondContact CA-O 3.38Å
261L98.6Very high96.7Very high0 Ų025.9 Ų25.90%014%0.144CC..EExtended strand (participates in β ladder)trans-113.8122.4173.2-171.6153.6000110.3A263 F285 F342 F352 V355 S357 I358 L359 F421L261-A263 HydrophobicContact CD2-CB 3.6Å; L261-F285 CarbonylContact C-O 3.32Å; L261-F285 WeakPolarHBondContact CA-O 3.49Å; L261-F285 HydrophobicContact CB-CB 4.38Å; L261-F285 HydrophobicContact CD1-CB 4.39Å; L261-F285 HydrophobicContact CG-CB 4.16Å; L261-F342 HydrophobicContact CD1-CE2 4.02Å; L261-F342 HydrophobicContact CD2-CD2 4.01Å; L261-F342 HydrophobicContact CD2-CE2 3.38Å; L261-F342 HydrophobicContact CD2-CZ 3.97Å; L261-F342 HydrophobicContact CG-CE2 4.38Å; L261-F352 HydrophobicContact CD1-CD1 4.42Å; L261-V355 HydrophobicContact CB-CG1 3.94Å; L261-S357 PolarHBondContact N-O 3.39Å; L261-I358 HydrophobicContact CB-CG1 4.21Å; L261-I358 HydrophobicContact CD2-CG2 4.06Å; L261-I358 CarbonylContact O-C 3.59Å; L261-I358 WeakPolarHBondContact O-CA 3.41Å; L261-L359 PolarHBondContact O-N 2.59Å; L261-F421 HydrophobicContact CD1-CE1 3.77Å; L261-F421 HydrophobicContact CD1-CZ 3.68Å
262D98.5Very high96.7Very high2 Ų225.6 Ų25.61%0.01114%0.143CC..EExtended strand (participates in β ladder)trans-102.7100.6171.2-170.2-9.2000108.7C264 A265 T271 F285 V286 V287D262-C264 PolarHBondContact O-N 2.68Å; D262-A265 HydrophobicContact CB-CB 3.96Å; D262-A265 VanDerWaalsContact CG-CB 3.43Å; D262-A265 WeakPolarHBondContact OD1-CA 3.06Å; D262-T271 PolarHBondContact OD2-OG1 3.28Å; D262-F285 PolarHBondContact N-O 3.35Å; D262-V286 HydrophobicContact CB-CG1 4.4Å; D262-V287 PolarHBondContact O-N 3.47Å
263A97.9Very high96.7Very high1 Ų125.8 Ų25.81%0.00814%0.144CC..THydrogen-bonded Turntrans-79.1-19.6-162.200000114.6L261 V287 F342 L359 L360L261-A263 HydrophobicContact CD2-CB 3.6Å; A263-V287 CarbonylContact C-O 3.56Å; A263-F342 HydrophobicContact CB-CB 4.46Å; A263-F342 HydrophobicContact CB-CD1 3.77Å; A263-F342 HydrophobicContact CB-CD2 3.81Å; A263-F342 HydrophobicContact CB-CE1 3.84Å; A263-F342 HydrophobicContact CB-CE2 3.92Å; A263-F342 HydrophobicContact CB-CG 3.75Å; A263-F342 HydrophobicContact CB-CZ 3.91Å; A263-L359 PolarHBondContact N-O 3.16Å; A263-L360 HydrophobicContact CB-CD1 3.63Å
264C96.8Very high96.9Very high21 Ų2119.8 Ų19.814%0.14212%0.116CC..THydrogen-bonded Turntrans-141.856.2-178.5-74.20000109.2D262 A266 V287 D361D262-C264 PolarHBondContact O-N 2.68Å; C264-A266 PolarHBondContact O-N 2.93Å; C264-V287 CarbonylContact C-O 3.54Å; C264-V287 WeakPolarHBondContact CA-O 3.33Å; C264-V287 PolarHBondContact N-O 3Å; C264-D361 VanDerWaalsContact CB-O 3.28Å; C264-D361 WeakPolarHBondContact CB-O 3.26Å
265A97.1Very high96.9Very high7 Ų719.6 Ų19.66%0.05811%0.114CC..  trans-73.2-24.4-155.300000114.6D262 G268 V286 V287 L297D262-A265 HydrophobicContact CB-CB 3.96Å; D262-A265 VanDerWaalsContact CG-CB 3.43Å; D262-A265 WeakPolarHBondContact OD1-CA 3.06Å; A265-G268 VanDerWaalsContact O-CA 3.27Å; A265-G268 WeakPolarHBondContact O-CA 3.18Å; A265-G268 PolarHBondContact O-N 3.11Å; A265-V286 HydrophobicContact CB-CB 4.02Å; A265-V287 PolarHBondContact N-O 3.35Å; A265-L297 HydrophobicContact CB-CD1 3.33Å
266A92.1Very high96.8Very high6 Ų618.3 Ų18.35%0.0511%0.112CC..THydrogen-bonded Turntrans-71.6137.1-168.400000112.8C264 D288 R293 L297C264-A266 PolarHBondContact O-N 2.93Å; A266-D288 HydrophobicContact CB-CB 3.91Å; A266-D288 VanDerWaalsContact CB-CG 3.46Å; A266-D288 WeakPolarHBondContact CB-OD2 3.4Å; A266-D288 PolarHBondContact N-OD2 3.22Å; A266-R293 HydrophobicContact CB-CB 3.58Å; A266-R293 WeakPolarHBondContact CB-O 3.47Å; A266-R293 PolarHBondContact O-NH2 2.82Å; A266-L297 HydrophobicContact CB-CB 3.89Å; A266-L297 HydrophobicContact CB-CD1 4.13Å
267P94Very high96.8Very high65 Ų6517.7 Ų17.742%0.42210%0.104SC..THydrogen-bonded Turncis-93.216.515.437.3-38000115.5N300P267-N300 WeakPolarHBondContact O-CB 3.1Å; P267-N300 PolarHBondContact O-ND2 2.98Å
268G95.1Very high96.9Very high0 Ų014.2 Ų14.20%09%0.085CC..  trans94.58.5173.300000115.3A265 K270 T271 L272A265-G268 VanDerWaalsContact O-CA 3.27Å; A265-G268 WeakPolarHBondContact O-CA 3.18Å; A265-G268 PolarHBondContact O-N 3.11Å; G268-K270 PolarHBondContact O-N 2.7Å; G268-T271 WeakPolarHBondContact O-CB 3.48Å; G268-T271 PolarHBondContact O-N 3.22Å; G268-L272 WeakPolarHBondContact O-CG 3.25Å; G268-L272 PolarHBondContact O-N 2.68Å
269N95.7Very high96.8Very high49 Ų4915.4 Ų15.426%0.2629%0.094SC..Hα-helixtrans-66-37.8-177.6-74-13.9000113.2R161 N300R161-N269 PolarHBondContact NH2-O 2.92Å; N269-N300 PolarHBondContact OD1-ND2 3.2Å
270K97.5Very high96.6Very high15 Ų1518.6 Ų18.67%0.06511%0.111CC..Hα-helixtrans-75.8-39.6175.3-64.3-172.8178.166.50111S245 P249 G268 L272 Q273 L274 L359 D361S245-K270 WeakPolarHBondContact O-CE 3.38Å; S245-K270 PolarHBondContact OG-NZ 3.03Å; P249-K270 HydrophobicContact CG-CB 3.97Å; P249-K270 HydrophobicContact CG-CG 4.46Å; G268-K270 PolarHBondContact O-N 2.7Å; K270-L272 VanDerWaalsContact C-N 3.33Å; K270-L272 PolarHBondContact O-N 3.02Å; K270-Q273 WeakPolarHBondContact O-CB 3.32Å; K270-Q273 PolarHBondContact O-N 3.33Å; K270-L274 PolarHBondContact O-N 3.43Å; K270-L359 HydrophobicContact CB-CD2 3.66Å; K270-L359 HydrophobicContact CD-CD2 3.85Å; K270-L359 HydrophobicContact CG-CD2 4.39Å; K270-D361 HydrophobicContact CD-CB 4.24Å; K270-D361 IonicContact NZ-OD1 3.47Å; K270-D361 IonicContact NZ-OD2 3.33Å; K270-D361 PolarHBondContact NZ-OD2 2.87Å
271T98.1Very high96.5Very high0 Ų026.1 Ų26.10%014%0.143CC..Hα-helixtrans-52.7-48171.4-40.60000112.3D262 G268 Q273 L274 I275 I284 V286 L301D262-T271 PolarHBondContact OD2-OG1 3.28Å; G268-T271 WeakPolarHBondContact O-CB 3.48Å; G268-T271 PolarHBondContact O-N 3.22Å; T271-Q273 PolarHBondContact O-N 3.19Å; T271-L274 WeakPolarHBondContact O-CB 3.37Å; T271-L274 PolarHBondContact O-N 3.05Å; T271-I275 WeakPolarHBondContact O-CG1 3.33Å; T271-I275 PolarHBondContact O-N 3.23Å; T271-I284 HydrophobicContact CG2-CG2 4.37Å; T271-V286 HydrophobicContact CG2-CG1 3.42Å; T271-V286 VanDerWaalsContact CG2-CG1 3.42Å; T271-L301 HydrophobicContact CG2-CD2 3.98Å
272L97.7Very high96.4Very high0 Ų026.1 Ų26.10%014%0.143CC..Hα-helixtrans-59.4-29.7177.8-76.6171.5000113.4L165 L239 G268 K270 I275 L301 N304 V306L165-L272 HydrophobicContact CD1-CD2 4.05Å; L239-L272 HydrophobicContact CD1-CD1 4.12Å; G268-L272 WeakPolarHBondContact O-CG 3.25Å; G268-L272 PolarHBondContact O-N 2.68Å; K270-L272 VanDerWaalsContact C-N 3.33Å; K270-L272 PolarHBondContact O-N 3.02Å; L272-I275 HydrophobicContact CD2-CD1 4.13Å; L272-L301 HydrophobicContact CD2-CD2 3.82Å; L272-L301 HydrophobicContact CG-CD2 4.01Å; L272-N304 HydrophobicContact CD1-CB 3.83Å; L272-N304 HydrophobicContact CD2-CB 3.55Å; L272-N304 HydrophobicContact CG-CB 4.37Å; L272-V306 HydrophobicContact CD2-CG2 3.95Å
273Q97.6Very high96.4Very high3 Ų327.2 Ų27.21%0.01415%0.15CC..Hα-helixtrans-76.7-40.5175.1-172.6177.7-9.800110.9C246 P249 E250 K270 T271 I275 S276 M277C246-Q273 PolarHBondContact O-NE2 3.02Å; C246-Q273 VanDerWaalsContact O-NE2 3.09Å; P249-Q273 HydrophobicContact CB-CB 4.11Å; P249-Q273 HydrophobicContact CB-CG 3.77Å; P249-Q273 HydrophobicContact CG-CB 3.97Å; P249-Q273 HydrophobicContact CG-CG 4.08Å; E250-Q273 VanDerWaalsContact CG-NE2 3.33Å; E250-Q273 PolarHBondContact OE1-NE2 3.37Å; K270-Q273 WeakPolarHBondContact O-CB 3.32Å; K270-Q273 PolarHBondContact O-N 3.33Å; T271-Q273 PolarHBondContact O-N 3.19Å; Q273-I275 VanDerWaalsContact C-N 3.3Å; Q273-I275 PolarHBondContact O-N 2.67Å; Q273-S276 PolarHBondContact O-N 3.02Å; Q273-S276 PolarHBondContact O-OG 3.11Å; Q273-M277 WeakPolarHBondContact O-CG 3.48Å
274L97.8Very high96.4Very high0 Ų027.1 Ų27.10%015%0.149CC..Hα-helixtrans-58.8-38.5174.6-69.4170.3000112.7P249 L252 P254 V260 K270 T271 S276 M277 I284 L359P249-L274 HydrophobicContact CB-CD2 3.85Å; P249-L274 HydrophobicContact CB-CG 4.14Å; P249-L274 HydrophobicContact CG-CD2 4.32Å; P249-L274 HydrophobicContact CG-CG 4.17Å; L252-L274 HydrophobicContact CD2-CD2 3.9Å; P254-L274 HydrophobicContact CG-CD2 4.23Å; V260-L274 HydrophobicContact CG1-CD1 3.93Å; V260-L274 HydrophobicContact CG1-CD2 4.35Å; K270-L274 PolarHBondContact O-N 3.43Å; T271-L274 WeakPolarHBondContact O-CB 3.37Å; T271-L274 PolarHBondContact O-N 3.05Å; L274-S276 PolarHBondContact O-N 3.31Å; L274-M277 HydrophobicContact CD2-SD 4.44Å; L274-M277 WeakPolarHBondContact O-CB 3.24Å; L274-M277 PolarHBondContact O-N 2.84Å; L274-I284 HydrophobicContact CB-CD1 4.12Å; L274-L359 HydrophobicContact CD1-CB 4.5Å; L274-L359 HydrophobicContact CD1-CD2 3.9Å
275I97.4Very high96.4Very high4 Ų426.3 Ų26.32%0.02114%0.143CC..Hα-helixtrans-57-37.8179.2-62.4161.7000111.4L165 T271 L272 Q273 M277 I284 L301 V306 Q332 P333 I335L165-I275 HydrophobicContact CD1-CB 4.36Å; L165-I275 HydrophobicContact CD1-CD1 4.35Å; L165-I275 HydrophobicContact CD1-CG2 3.99Å; L165-I275 HydrophobicContact CD2-CB 4.21Å; L165-I275 HydrophobicContact CD2-CG2 3.51Å; L165-I275 HydrophobicContact CG-CG2 4.39Å; T271-I275 WeakPolarHBondContact O-CG1 3.33Å; T271-I275 PolarHBondContact O-N 3.23Å; L272-I275 HydrophobicContact CD2-CD1 4.13Å; Q273-I275 VanDerWaalsContact C-N 3.3Å; Q273-I275 PolarHBondContact O-N 2.67Å; I275-M277 VanDerWaalsContact C-N 3.26Å; I275-M277 PolarHBondContact O-N 3.13Å; I275-I284 HydrophobicContact CB-CD1 4.26Å; I275-I284 HydrophobicContact CG1-CD1 3.52Å; I275-L301 HydrophobicContact CD1-CD2 4.04Å; I275-V306 HydrophobicContact CD1-CG1 4.5Å; I275-V306 HydrophobicContact CD1-CG2 3.45Å; I275-V306 VanDerWaalsContact CD1-CG2 3.45Å; I275-Q332 HydrophobicContact CG2-CB 4.48Å; I275-P333 HydrophobicContact CB-CG 4.42Å; I275-P333 HydrophobicContact CG2-CG 3.92Å; I275-I335 HydrophobicContact CD1-CD1 4.36Å; I275-I335 HydrophobicContact CD1-CG1 4.17Å; I275-I335 HydrophobicContact CG1-CD1 4.31Å; I275-I335 HydrophobicContact CG1-CG1 4.25Å
276S95Very high96.5Very high51 Ų5126 Ų2636%0.35714%0.141SC..THydrogen-bonded Turntrans-75.4-10.1178.357.30000114.9Q273 L274Q273-S276 PolarHBondContact O-N 3.02Å; Q273-S276 PolarHBondContact O-OG 3.11Å; L274-S276 PolarHBondContact O-N 3.31Å
277M96.1Very high96.7Very high50 Ų5025.7 Ų25.725%0.24614%0.138CC..THydrogen-bonded Turntrans-97.9-7.3-178.9-59.1176.377.200113P249 P254 Q273 L274 I275P249-M277 HydrophobicContact CB-SD 3.88Å; P249-M277 WeakPolarHBondContact O-CE 3.37Å; P254-M277 HydrophobicContact CG-CB 4.46Å; Q273-M277 WeakPolarHBondContact O-CG 3.48Å; L274-M277 HydrophobicContact CD2-SD 4.44Å; L274-M277 WeakPolarHBondContact O-CB 3.24Å; L274-M277 PolarHBondContact O-N 2.84Å; I275-M277 VanDerWaalsContact C-N 3.26Å; I275-M277 PolarHBondContact O-N 3.13Å
278L97.3Very high96.8Very high13 Ų1323 Ų237%0.06812%0.12CC..SBendtrans-121.7150-165.5-74.8176.2000111.5P254 D255 V260 S282 I284 P333P254-L278 HydrophobicContact CB-CD2 4.04Å; P254-L278 HydrophobicContact CG-CD2 3.94Å; P254-L278 HydrophobicContact CG-CG 4.34Å; D255-L278 WeakPolarHBondContact O-CD2 3.24Å; V260-L278 HydrophobicContact CB-CD1 4.2Å; V260-L278 HydrophobicContact CG2-CD1 3.66Å; V260-L278 HydrophobicContact CG2-CD2 4.01Å; V260-L278 HydrophobicContact CG2-CG 4.4Å; L278-S282 WeakPolarHBondContact CB-OG 3.09Å; L278-I284 HydrophobicContact CD1-CD1 3.65Å; L278-I284 HydrophobicContact CD1-CG1 3.48Å; L278-I284 VanDerWaalsContact CD1-CG1 3.48Å; L278-P333 HydrophobicContact CB-CB 4.24Å; L278-P333 HydrophobicContact CB-CG 4.08Å
279S95.6Very high96.7Very high26 Ų2631.1 Ų31.118%0.18215%0.151CC..  trans-87165.5179.474.90000112.4P256 N257 K281 S282 P333P256-S279 VanDerWaalsContact O-CB 3.24Å; P256-S279 WeakPolarHBondContact O-CB 3.42Å; P256-S279 PolarHBondContact O-N 3.47Å; P256-S279 PolarHBondContact O-OG 2.94Å; N257-S279 PolarHBondContact OD1-OG 3.45Å; S279-K281 PolarHBondContact O-N 3.11Å; S279-K281 PolarHBondContact OG-N 3.28Å; S279-S282 PolarHBondContact O-N 2.63Å; S279-S282 PolarHBondContact O-OG 3.11Å; S279-P333 WeakPolarHBondContact O-CA 3.44Å; S279-P333 WeakPolarHBondContact O-CB 3.48Å
280N95.1Very high96.3Very high78 Ų7831.8 Ų31.842%0.41716%0.155SC..THydrogen-bonded Turntrans-61.9-7.9174.469-18.9000116R308 S331 Q332N280-R308 PolarHBondContact O-NH1 2.65Å; N280-R308 PolarHBondContact O-NH2 2.94Å; N280-S331 WeakPolarHBondContact CB-O 3.34Å; N280-S331 PolarHBondContact N-O 3.2Å; N280-Q332 VanDerWaalsContact CA-O 3.31Å; N280-Q332 WeakPolarHBondContact CA-O 3.33Å
281K94.8Very high95.9Very high158 Ų15833.4 Ų33.469%0.68717%0.167SC*.THydrogen-bonded Turntrans-86.5-20175-62.6-179.6-178.2174.60113.3S279S279-K281 PolarHBondContact O-N 3.11Å; S279-K281 PolarHBondContact OG-N 3.28Å
282S97Very high95.2Very high0 Ų038.4 Ų38.40%019%0.193CC..  trans-90.6162.9-177.3650000112.7S258 L278 S279 P333 S334S258-S282 WeakPolarHBondContact O-CB 3.23Å; L278-S282 WeakPolarHBondContact CB-OG 3.09Å; S279-S282 PolarHBondContact O-N 2.63Å; S279-S282 PolarHBondContact O-OG 3.11Å; S282-P333 WeakPolarHBondContact O-CA 3.46Å; S282-P333 WeakPolarHBondContact O-CB 3.49Å; S282-P333 WeakPolarHBondContact OG-CB 3.39Å; S282-S334 PolarHBondContact O-N 3.04Å
283T97.8Very high94.8Very high24 Ų2442.3 Ų42.315%0.14721%0.208CC..EExtended strand (participates in β ladder)trans-121.5135.9172.1-55.30000110.7D259 V260 F285 S334 E336D259-T283 VanDerWaalsContact CA-O 3.23Å; D259-T283 WeakPolarHBondContact CA-O 3.38Å; D259-T283 VanDerWaalsContact CB-O 3.27Å; D259-T283 WeakPolarHBondContact CB-O 3.26Å; D259-T283 PolarHBondContact OD1-N 3.05Å; V260-T283 PolarHBondContact N-O 3.29Å; T283-F285 HydrophobicContact CG2-CD1 4.22Å; T283-F285 HydrophobicContact CG2-CD2 4.45Å; T283-F285 HydrophobicContact CG2-CE1 3.81Å; T283-F285 HydrophobicContact CG2-CE2 4.07Å; T283-F285 HydrophobicContact CG2-CZ 3.73Å; T283-S334 CarbonylContact C-O 3.53Å; T283-S334 WeakPolarHBondContact CA-O 3.44Å; T283-E336 HydrophobicContact CG2-CG 3.99Å
284I98.3Very high94.5Very high0 Ų042.4 Ų42.40%021%0.209CC..EExtended strand (participates in β ladder)trans-103.4115168.3-48.5179000108.7V260 T271 L274 I275 L278 V286 P333 S334 I335 E336V260-I284 CarbonylContact O-C 3.55Å; V260-I284 VanDerWaalsContact O-CA 3.31Å; V260-I284 WeakPolarHBondContact O-CA 3.33Å; T271-I284 HydrophobicContact CG2-CG2 4.37Å; L274-I284 HydrophobicContact CB-CD1 4.12Å; I275-I284 HydrophobicContact CB-CD1 4.26Å; I275-I284 HydrophobicContact CG1-CD1 3.52Å; L278-I284 HydrophobicContact CD1-CD1 3.65Å; L278-I284 HydrophobicContact CD1-CG1 3.48Å; L278-I284 VanDerWaalsContact CD1-CG1 3.48Å; I284-V286 HydrophobicContact CB-CG1 4.49Å; I284-V286 HydrophobicContact CG2-CG1 3.67Å; I284-P333 HydrophobicContact CD1-CG 3.95Å; I284-P333 HydrophobicContact CG1-CB 4.35Å; I284-P333 HydrophobicContact CG1-CG 4.24Å; I284-S334 PolarHBondContact N-O 2.82Å; I284-I335 WeakPolarHBondContact O-CA 3.5Å; I284-E336 PolarHBondContact O-N 2.81Å
285F98.2Very high94.1Very high3 Ų345.7 Ų45.71%0.01322%0.221CC..EExtended strand (participates in β ladder)trans-87.8120.3171.4-57.4-78.5000109D259 V260 L261 D262 T283 E336 Y338 K351 F352 V355D259-F285 HydrophobicContact CB-CD2 4.39Å; D259-F285 HydrophobicContact CB-CE2 3.82Å; V260-F285 PolarHBondContact O-N 3.16Å; L261-F285 CarbonylContact C-O 3.32Å; L261-F285 WeakPolarHBondContact CA-O 3.49Å; L261-F285 HydrophobicContact CB-CB 4.38Å; L261-F285 HydrophobicContact CD1-CB 4.39Å; L261-F285 HydrophobicContact CG-CB 4.16Å; D262-F285 PolarHBondContact N-O 3.35Å; T283-F285 HydrophobicContact CG2-CD1 4.22Å; T283-F285 HydrophobicContact CG2-CD2 4.45Å; T283-F285 HydrophobicContact CG2-CE1 3.81Å; T283-F285 HydrophobicContact CG2-CE2 4.07Å; T283-F285 HydrophobicContact CG2-CZ 3.73Å; F285-E336 HydrophobicContact CD1-CB 4.1Å; F285-E336 HydrophobicContact CE1-CB 4.5Å; F285-E336 WeakPolarHBondContact CE1-OE2 3.28Å; F285-Y338 HydrophobicContact CD1-CE2 4.07Å; F285-K351 HydrophobicContact CE1-CD 4.13Å; F285-K351 HydrophobicContact CE1-CG 3.9Å; F285-K351 HydrophobicContact CZ-CG 4.12Å; F285-K351 VanDerWaalsContact CZ-O 3.26Å; F285-K351 WeakPolarHBondContact CZ-O 3.34Å; F285-F352 HydrophobicContact CB-CE1 4.28Å; F285-F352 HydrophobicContact CD1-CD1 4.02Å; F285-F352 AromaticContact CD1-CE1 3.62Å; F285-F352 HydrophobicContact CD1-CE1 3.62Å; F285-F352 AromaticContact CD2-CD1 3.95Å; F285-F352 HydrophobicContact CD2-CD1 3.95Å; F285-F352 HydrophobicContact CD2-CE1 4.3Å; F285-F352 HydrophobicContact CE1-CD1 4.1Å; F285-F352 AromaticContact CE1-CE1 3.96Å; F285-F352 HydrophobicContact CE1-CE1 3.96Å; F285-F352 HydrophobicContact CE2-CD1 4.03Å; F285-F352 AromaticContact CG-CD1 3.94Å; F285-F352 HydrophobicContact CG-CD1 3.94Å; F285-F352 AromaticContact CG-CE1 3.8Å; F285-F352 HydrophobicContact CG-CE1 3.8Å; F285-F352 HydrophobicContact CZ-CD1 4.11Å; F285-F352 HydrophobicContact CZ-CE1 4.44Å; F285-V355 HydrophobicContact CD2-CG2 3.61Å; F285-V355 HydrophobicContact CE2-CG2 3.58Å
286V97.6Very high93.8Very high0 Ų051.9 Ų51.90%024%0.244CC..EExtended strand (participates in β ladder)trans-119.1125.8-175.8-53.30000109.8D262 A265 T271 I284 L297 I335 E336 A337 Y338D262-V286 HydrophobicContact CB-CG1 4.4Å; A265-V286 HydrophobicContact CB-CB 4.02Å; T271-V286 HydrophobicContact CG2-CG1 3.42Å; T271-V286 VanDerWaalsContact CG2-CG1 3.42Å; I284-V286 HydrophobicContact CB-CG1 4.49Å; I284-V286 HydrophobicContact CG2-CG1 3.67Å; V286-L297 HydrophobicContact CG2-CD2 4.07Å; V286-I335 HydrophobicContact CG1-CG2 4.06Å; V286-I335 HydrophobicContact CG2-CG2 3.97Å; V286-E336 PolarHBondContact N-O 3.18Å; V286-A337 HydrophobicContact CG2-CB 3.38Å; V286-A337 WeakPolarHBondContact O-CA 3.46Å; V286-Y338 PolarHBondContact O-N 2.9Å
287V97Very high93.7Very high1 Ų149.4 Ų49.41%0.00623%0.227CC..EExtended strand (participates in β ladder)trans-128.2132.2-170.4-172.50000109.3D262 A263 C264 A265 Y338 S340 F342 I345D262-V287 PolarHBondContact O-N 3.47Å; A263-V287 CarbonylContact C-O 3.56Å; C264-V287 CarbonylContact C-O 3.54Å; C264-V287 WeakPolarHBondContact CA-O 3.33Å; C264-V287 PolarHBondContact N-O 3Å; A265-V287 PolarHBondContact N-O 3.35Å; V287-Y338 WeakPolarHBondContact CA-O 3.34Å; V287-S340 WeakPolarHBondContact CG1-O 3.45Å; V287-F342 HydrophobicContact CG1-CB 4.43Å; V287-I345 HydrophobicContact CB-CD1 4.36Å; V287-I345 HydrophobicContact CG1-CD1 4Å; V287-I345 HydrophobicContact CG2-CD1 3.48Å; V287-I345 VanDerWaalsContact CG2-CD1 3.48Å
288D95.8Very high93.6Very high7 Ų747.1 Ų47.14%0.03722%0.215CC..  trans-148.4136.8165.1-158.3-75000109.9A266 D290 R293 F294 Y338 C339 S340A266-D288 HydrophobicContact CB-CB 3.91Å; A266-D288 VanDerWaalsContact CB-CG 3.46Å; A266-D288 WeakPolarHBondContact CB-OD2 3.4Å; A266-D288 PolarHBondContact N-OD2 3.22Å; D288-D290 PolarHBondContact OD1-N 2.97Å; D288-R293 IonicContact OD2-CZ 3.73Å; D288-R293 IonicContact OD2-NE 2.68Å; D288-R293 IonicContact OD2-NH2 3.07Å; D288-F294 HydrophobicContact CB-CB 4.49Å; D288-F294 HydrophobicContact CB-CD2 4.31Å; D288-Y338 PolarHBondContact N-O 2.62Å; D288-C339 CarbonylContact O-C 3.56Å; D288-C339 WeakPolarHBondContact O-CA 3.14Å; D288-S340 CarbonylContact C-O 3.6Å; D288-S340 PolarHBondContact O-N 2.98Å
289R92.8Very high93.4Very high171 Ų17150.1 Ų50.165%0.64523%0.229SC*.SBendtrans-77.2-31.1-176179.3176.8169.6174.9-7.4113P291 S340 D341R289-P291 WeakPolarHBondContact O-CD 3.41Å; R289-S340 VanDerWaalsContact CA-O 3.27Å; R289-S340 WeakPolarHBondContact CA-O 3.19Å; R289-S340 PolarHBondContact N-O 3.33Å; R289-D341 WeakPolarHBondContact CD-OD2 3.5Å; R289-D341 HydrophobicContact CG-CB 4.47Å; R289-D341 IonicContact CZ-OD2 2.68Å; R289-D341 IonicContact NE-OD2 3.74Å; R289-D341 IonicContact NH1-OD2 3.69Å; R289-D341 PolarHBondContact NH1-OD2 3.35Å
290D88.2Confident93.3Very high64 Ų6450.5 Ų50.534%0.34223%0.229SC..  trans-85.1119.1-172.3177.9-85.9000110.7D288 N292 R293 F294D288-D290 PolarHBondContact OD1-N 2.97Å; D290-N292 VanDerWaalsContact C-N 3.26Å; D290-N292 PolarHBondContact O-N 3.18Å; D290-N292 WeakPolarHBondContact OD1-CA 3.39Å; D290-N292 WeakPolarHBondContact OD1-CB 3.3Å; D290-N292 PolarHBondContact OD1-N 3.32Å; D290-R293 HydrophobicContact CB-CB 3.99Å; D290-R293 HydrophobicContact CB-CG 4.04Å; D290-R293 PolarHBondContact O-N 2.94Å; D290-R293 WeakPolarHBondContact OD1-CG 3.18Å; D290-R293 PolarHBondContact OD1-N 3.22Å; D290-F294 VanDerWaalsContact O-CB 3.26Å; D290-F294 WeakPolarHBondContact O-CB 3.47Å; D290-F294 PolarHBondContact O-N 3.39Å
291P88.7Confident93.3Very high49 Ų4946.8 Ų46.832%0.31821%0.21SC..Hα-helixtrans-61.2-31.4-175.7-25.635000114.2R289 R295 F590R289-P291 WeakPolarHBondContact O-CD 3.41Å; P291-R295 VanDerWaalsContact O-CB 3.31Å; P291-R295 WeakPolarHBondContact O-CB 3.05Å; P291-R295 PolarHBondContact O-N 3.37Å; P291-F590 HydrophobicContact CB-CD1 4.32Å; P291-F590 HydrophobicContact CB-CE1 3.62Å; P291-F590 HydrophobicContact CB-CZ 3.91Å
292N84.4Confident93.3Very high105 Ų10542.1 Ų42.156%0.56119%0.194SC*.Hα-helixtrans-75-41.5179.9-65.2-51.7000111.3D290 R296D290-N292 VanDerWaalsContact C-N 3.26Å; D290-N292 PolarHBondContact O-N 3.18Å; D290-N292 WeakPolarHBondContact OD1-CA 3.39Å; D290-N292 WeakPolarHBondContact OD1-CB 3.3Å; D290-N292 PolarHBondContact OD1-N 3.32Å; N292-R296 WeakPolarHBondContact O-CG 3.17Å; N292-R296 PolarHBondContact O-N 3.47Å; N292-R296 VanDerWaalsContact O-N 3.15Å
293R87.8Confident93.2Very high81 Ų8145.9 Ų45.931%0.30622%0.217SC..Hα-helixtrans-67.8-41.9173.6-69.5-179.264.1-171.2-1.9110.8A266 D288 D290 R295 R296 L297A266-R293 HydrophobicContact CB-CB 3.58Å; A266-R293 WeakPolarHBondContact CB-O 3.47Å; A266-R293 PolarHBondContact O-NH2 2.82Å; D288-R293 IonicContact OD2-CZ 3.73Å; D288-R293 IonicContact OD2-NE 2.68Å; D288-R293 IonicContact OD2-NH2 3.07Å; D290-R293 HydrophobicContact CB-CB 3.99Å; D290-R293 HydrophobicContact CB-CG 4.04Å; D290-R293 PolarHBondContact O-N 2.94Å; D290-R293 WeakPolarHBondContact OD1-CG 3.18Å; D290-R293 PolarHBondContact OD1-N 3.22Å; R293-R295 VanDerWaalsContact C-N 3.34Å; R293-R295 PolarHBondContact O-N 2.81Å; R293-R296 CarbonylContact O-C 3.55Å; R293-R296 WeakPolarHBondContact O-CB 3.36Å; R293-R296 PolarHBondContact O-N 3.05Å; R293-R296 VanDerWaalsContact O-N 3.11Å; R293-L297 PolarHBondContact O-N 2.61Å
294F92.3Very high93.1Very high6 Ų644.8 Ų44.83%0.02621%0.21CC..Hα-helixtrans-60.8-42.3175.6-175.8-94.7000112.1D288 D290 R296 L297 T298 I311 A337 Y338 C339D288-F294 HydrophobicContact CB-CB 4.49Å; D288-F294 HydrophobicContact CB-CD2 4.31Å; D290-F294 VanDerWaalsContact O-CB 3.26Å; D290-F294 WeakPolarHBondContact O-CB 3.47Å; D290-F294 PolarHBondContact O-N 3.39Å; F294-R296 VanDerWaalsContact C-N 3.34Å; F294-R296 PolarHBondContact O-N 3.36Å; F294-L297 HydrophobicContact CD2-CD2 4.48Å; F294-L297 HydrophobicContact CE2-CD2 4.37Å; F294-L297 WeakPolarHBondContact O-CB 3.22Å; F294-L297 PolarHBondContact O-N 3.14Å; F294-T298 HydrophobicContact CD1-CG2 4.18Å; F294-T298 HydrophobicContact CE1-CG2 3.67Å; F294-T298 HydrophobicContact CE2-CG2 4.44Å; F294-T298 HydrophobicContact CZ-CG2 3.83Å; F294-T298 PolarHBondContact O-N 3.01Å; F294-T298 PolarHBondContact O-OG1 3.32Å; F294-I311 HydrophobicContact CE1-CG2 4Å; F294-I311 HydrophobicContact CZ-CG2 4.22Å; F294-A337 HydrophobicContact CE2-CB 3.85Å; F294-A337 HydrophobicContact CZ-CB 3.64Å; F294-Y338 WeakPolarHBondContact CE2-O 3.17Å; F294-C339 HydrophobicContact CB-CB 4.35Å; F294-C339 HydrophobicContact CD1-CB 3.66Å; F294-C339 HydrophobicContact CD2-CB 3.95Å; F294-C339 HydrophobicContact CE1-CB 3.85Å; F294-C339 HydrophobicContact CE2-CB 4.15Å; F294-C339 HydrophobicContact CG-CB 3.7Å; F294-C339 HydrophobicContact CZ-CB 4.09Å
295R90.1Very high92.9Very high68 Ų6845.9 Ų45.926%0.25722%0.221SC..Hα-helixtrans-57-47.6171.1179.4-175.9175.3141.215.4111.6P291 R293 L297 T298 E299 F590 I594 K597P291-R295 VanDerWaalsContact O-CB 3.31Å; P291-R295 WeakPolarHBondContact O-CB 3.05Å; P291-R295 PolarHBondContact O-N 3.37Å; R293-R295 VanDerWaalsContact C-N 3.34Å; R293-R295 PolarHBondContact O-N 2.81Å; R295-L297 VanDerWaalsContact C-N 3.31Å; R295-L297 PolarHBondContact O-N 3.5Å; R295-T298 PolarHBondContact O-N 2.94Å; R295-T298 PolarHBondContact O-OG1 2.07Å; R295-E299 HydrophobicContact CG-CG 4.43Å; R295-E299 WeakPolarHBondContact CG-OE1 3.38Å; R295-E299 IonicContact CZ-OE1 2.68Å; R295-E299 IonicContact NE-OE1 3.96Å; R295-E299 PolarHBondContact NE-OE1 3.14Å; R295-E299 IonicContact NH2-OE1 3.87Å; R295-E299 PolarHBondContact NH2-OE1 3.31Å; R295-E299 WeakPolarHBondContact O-CB 3.3Å; R295-E299 WeakPolarHBondContact O-CG 3.37Å; R295-E299 PolarHBondContact O-N 3.26Å; R295-F590 HydrophobicContact CB-CZ 4.48Å; R295-I594 HydrophobicContact CB-CD1 4.06Å; R295-I594 HydrophobicContact CG-CD1 4.19Å; R295-K597 VanDerWaalsContact NH2-CD 3.35Å
296R89.3Confident92.7Very high134 Ų13446.3 Ų46.351%0.50622%0.224SC..Hα-helixtrans-62.6-38.4176.5-71.1175.8179.81712112.1N292 R293 F294 N300N292-R296 WeakPolarHBondContact O-CG 3.17Å; N292-R296 PolarHBondContact O-N 3.47Å; N292-R296 VanDerWaalsContact O-N 3.15Å; R293-R296 CarbonylContact O-C 3.55Å; R293-R296 WeakPolarHBondContact O-CB 3.36Å; R293-R296 PolarHBondContact O-N 3.05Å; R293-R296 VanDerWaalsContact O-N 3.11Å; F294-R296 VanDerWaalsContact C-N 3.34Å; F294-R296 PolarHBondContact O-N 3.36Å; R296-N300 WeakPolarHBondContact O-CB 3.07Å; R296-N300 PolarHBondContact O-N 3.38Å
297L93.7Very high92.5Very high0 Ų052.3 Ų52.30%025%0.252CS..Hα-helixtrans-58.6-52.5174.4169.5148.9000110.8A265 A266 V286 R293 F294 R295 N300 L301 A337A265-L297 HydrophobicContact CB-CD1 3.33Å; A266-L297 HydrophobicContact CB-CB 3.89Å; A266-L297 HydrophobicContact CB-CD1 4.13Å; V286-L297 HydrophobicContact CG2-CD2 4.07Å; R293-L297 PolarHBondContact O-N 2.61Å; F294-L297 HydrophobicContact CD2-CD2 4.48Å; F294-L297 HydrophobicContact CE2-CD2 4.37Å; F294-L297 WeakPolarHBondContact O-CB 3.22Å; F294-L297 PolarHBondContact O-N 3.14Å; R295-L297 VanDerWaalsContact C-N 3.31Å; R295-L297 PolarHBondContact O-N 3.5Å; L297-N300 PolarHBondContact O-N 2.93Å; L297-L301 HydrophobicContact CD2-CD1 3.72Å; L297-L301 HydrophobicContact CG-CD1 4.21Å; L297-L301 VanDerWaalsContact O-CG 3.32Å; L297-L301 WeakPolarHBondContact O-CG 3.35Å; L297-L301 PolarHBondContact O-N 3.1Å; L297-A337 HydrophobicContact CD2-CB 4.47Å
298T93.9Very high92.3Very high1 Ų156.2 Ų56.21%0.00627%0.267CS..Hα-helixtrans-66-43.5-177.151.40000111.8F294 R295 N300 L301 V302 I311 A337F294-T298 HydrophobicContact CD1-CG2 4.18Å; F294-T298 HydrophobicContact CE1-CG2 3.67Å; F294-T298 HydrophobicContact CE2-CG2 4.44Å; F294-T298 HydrophobicContact CZ-CG2 3.83Å; F294-T298 PolarHBondContact O-N 3.01Å; F294-T298 PolarHBondContact O-OG1 3.32Å; R295-T298 PolarHBondContact O-N 2.94Å; R295-T298 PolarHBondContact O-OG1 2.07Å; T298-N300 VanDerWaalsContact C-N 3.32Å; T298-N300 PolarHBondContact O-N 3.01Å; T298-L301 PolarHBondContact O-N 2.88Å; T298-V302 WeakPolarHBondContact O-CG2 3.5Å; T298-V302 PolarHBondContact O-N 3.1Å; T298-V302 VanDerWaalsContact O-N 3.11Å; T298-I311 HydrophobicContact CG2-CD1 3.79Å; T298-I311 HydrophobicContact CG2-CG1 4Å; T298-A337 HydrophobicContact CG2-CB 4.32Å
299E92.5Very high92.2Very high77 Ų7757.3 Ų57.336%0.3627%0.272SS..Hα-helixtrans-58.7-43.4172.5-72.3172.4176.700111.3R295 V303R295-E299 HydrophobicContact CG-CG 4.43Å; R295-E299 WeakPolarHBondContact CG-OE1 3.38Å; R295-E299 IonicContact CZ-OE1 2.68Å; R295-E299 IonicContact NE-OE1 3.96Å; R295-E299 PolarHBondContact NE-OE1 3.14Å; R295-E299 IonicContact NH2-OE1 3.87Å; R295-E299 PolarHBondContact NH2-OE1 3.31Å; R295-E299 WeakPolarHBondContact O-CB 3.3Å; R295-E299 WeakPolarHBondContact O-CG 3.37Å; R295-E299 PolarHBondContact O-N 3.26Å; E299-V303 WeakPolarHBondContact O-CB 3.3Å; E299-V303 VanDerWaalsContact O-CG2 3.25Å; E299-V303 WeakPolarHBondContact O-CG2 3.41Å; E299-V303 PolarHBondContact O-N 3.07Å; E299-V303 VanDerWaalsContact O-N 3.08Å
300N94.3Very high92.2Very high34 Ų3451.5 Ų51.518%0.18226%0.258CS..Hα-helixtrans-65.6-44.2179.1-167.341.9000111.5P267 N269 R296 L297 T298 V302 N304P267-N300 WeakPolarHBondContact O-CB 3.1Å; P267-N300 PolarHBondContact O-ND2 2.98Å; N269-N300 PolarHBondContact OD1-ND2 3.2Å; R296-N300 WeakPolarHBondContact O-CB 3.07Å; R296-N300 PolarHBondContact O-N 3.38Å; L297-N300 PolarHBondContact O-N 2.93Å; T298-N300 VanDerWaalsContact C-N 3.32Å; T298-N300 PolarHBondContact O-N 3.01Å; N300-V302 PolarHBondContact O-N 3.14Å; N300-N304 WeakPolarHBondContact O-CB 3.31Å; N300-N304 PolarHBondContact O-N 3Å; N300-N304 VanDerWaalsContact O-N 3.14Å; N300-N304 PolarHBondContact O-ND2 3.49Å; N300-N304 PolarHBondContact OD1-ND2 2.95Å
301L95.9Very high92.3Very high0 Ų050 Ų500%025%0.25CS..Hα-helixtrans-58.7-49.3177-68.1174.9000111.5T271 L272 I275 L297 T298 N304 G305 V306 L309 I335T271-L301 HydrophobicContact CG2-CD2 3.98Å; L272-L301 HydrophobicContact CD2-CD2 3.82Å; L272-L301 HydrophobicContact CG-CD2 4.01Å; I275-L301 HydrophobicContact CD1-CD2 4.04Å; L297-L301 HydrophobicContact CD2-CD1 3.72Å; L297-L301 HydrophobicContact CG-CD1 4.21Å; L297-L301 VanDerWaalsContact O-CG 3.32Å; L297-L301 WeakPolarHBondContact O-CG 3.35Å; L297-L301 PolarHBondContact O-N 3.1Å; T298-L301 PolarHBondContact O-N 2.88Å; L301-N304 PolarHBondContact O-N 3.27Å; L301-G305 PolarHBondContact O-N 3.43Å; L301-V306 HydrophobicContact CB-CB 4.21Å; L301-V306 HydrophobicContact CB-CG2 3.97Å; L301-V306 HydrophobicContact CD2-CG2 4.1Å; L301-V306 WeakPolarHBondContact O-CB 3.33Å; L301-V306 VanDerWaalsContact O-CG2 3.23Å; L301-V306 WeakPolarHBondContact O-CG2 3.46Å; L301-V306 PolarHBondContact O-N 3.47Å; L301-V306 VanDerWaalsContact O-N 3.17Å; L301-L309 HydrophobicContact CB-CD2 4.31Å; L301-L309 HydrophobicContact CD1-CD1 4.11Å; L301-I335 HydrophobicContact CD1-CG2 4.21Å
302V94.6Very high92Very high59 Ų5948.5 Ų48.536%0.35824%0.239SC..Hα-helixtrans-60.1-51.1-179.7173.20000111.4T298 N300 N304 G305 L309T298-V302 WeakPolarHBondContact O-CG2 3.5Å; T298-V302 PolarHBondContact O-N 3.1Å; T298-V302 VanDerWaalsContact O-N 3.11Å; N300-V302 PolarHBondContact O-N 3.14Å; V302-N304 PolarHBondContact O-N 3.24Å; V302-G305 PolarHBondContact O-N 3.23Å; V302-L309 HydrophobicContact CG2-CD2 3.77Å
303V94Very high91.2Very high80 Ų8044.9 Ų44.949%0.48522%0.22SC..Hα-helixtrans-65.4-25.1-175.8175.80000112.3K166 K236 E299 G305K166-V303 WeakPolarHBondContact CE-O 3.23Å; K166-V303 PolarHBondContact NZ-O 3.46Å; K236-V303 HydrophobicContact CD-CG1 4.29Å; K236-V303 HydrophobicContact CG-CG1 3.88Å; E299-V303 WeakPolarHBondContact O-CB 3.3Å; E299-V303 VanDerWaalsContact O-CG2 3.25Å; E299-V303 WeakPolarHBondContact O-CG2 3.41Å; E299-V303 PolarHBondContact O-N 3.07Å; E299-V303 VanDerWaalsContact O-N 3.08Å; V303-G305 VanDerWaalsContact C-N 3.32Å
304N96Very high89.7Confident0 Ų045.3 Ų45.30%022%0.221CC..THydrogen-bonded Turntrans-851.1176.9-77.9-80.8000114.6N163 K166 L239 L272 N300 L301 V302N163-N304 PolarHBondContact ND2-O 2.91Å; K166-N304 VanDerWaalsContact CE-C 3.42Å; K166-N304 WeakPolarHBondContact CE-O 3.36Å; L239-N304 WeakPolarHBondContact CD2-OD1 3.5Å; L272-N304 HydrophobicContact CD1-CB 3.83Å; L272-N304 HydrophobicContact CD2-CB 3.55Å; L272-N304 HydrophobicContact CG-CB 4.37Å; N300-N304 WeakPolarHBondContact O-CB 3.31Å; N300-N304 PolarHBondContact O-N 3Å; N300-N304 VanDerWaalsContact O-N 3.14Å; N300-N304 PolarHBondContact O-ND2 3.49Å; N300-N304 PolarHBondContact OD1-ND2 2.95Å; L301-N304 PolarHBondContact O-N 3.27Å; V302-N304 PolarHBondContact O-N 3.24Å
305G93.7Very high87.8Confident23 Ų2348.2 Ų48.224%0.23724%0.243CC..THydrogen-bonded Turntrans95.823.8173.500000114.7L301 V302 V303 E307 Q332L301-G305 PolarHBondContact O-N 3.43Å; V302-G305 PolarHBondContact O-N 3.23Å; V303-G305 VanDerWaalsContact C-N 3.32Å; G305-E307 PolarHBondContact O-N 3.38Å; G305-Q332 PolarHBondContact O-NE2 3.26Å
306V94.8Very high85.8Confident12 Ų1247.8 Ų47.87%0.07325%0.245CC..  trans-74.1118.2173.4178.30000110.1L165 L272 I275 L301 L309 I335L165-V306 HydrophobicContact CD1-CG2 4.01Å; L272-V306 HydrophobicContact CD2-CG2 3.95Å; I275-V306 HydrophobicContact CD1-CG1 4.5Å; I275-V306 HydrophobicContact CD1-CG2 3.45Å; I275-V306 VanDerWaalsContact CD1-CG2 3.45Å; L301-V306 HydrophobicContact CB-CB 4.21Å; L301-V306 HydrophobicContact CB-CG2 3.97Å; L301-V306 HydrophobicContact CD2-CG2 4.1Å; L301-V306 WeakPolarHBondContact O-CB 3.33Å; L301-V306 VanDerWaalsContact O-CG2 3.23Å; L301-V306 WeakPolarHBondContact O-CG2 3.46Å; L301-V306 PolarHBondContact O-N 3.47Å; L301-V306 VanDerWaalsContact O-N 3.17Å; V306-L309 HydrophobicContact CG1-CB 4.12Å; V306-I335 HydrophobicContact CG1-CB 4.44Å; V306-I335 HydrophobicContact CG1-CD1 3.53Å; V306-I335 HydrophobicContact CG1-CG1 3.91Å
307E92Very high83.9Confident127 Ų12745.2 Ų45.259%0.59325%0.248SC*.  trans-92.4-31.2-172-66.4171.1178.500113.1G305 S330G305-E307 PolarHBondContact O-N 3.38Å; E307-S330 WeakPolarHBondContact OE2-CB 3.25Å; E307-S330 PolarHBondContact OE2-OG 3.22Å
308R93.3Very high81.6Confident82 Ų8252.6 Ų52.631%0.30929%0.288SS..SBendtrans-110.252.2-172.3-65.4174.265.1173.71.4112.8N280 Q332 P333 S334 I335N280-R308 PolarHBondContact O-NH1 2.65Å; N280-R308 PolarHBondContact O-NH2 2.94Å; R308-Q332 VanDerWaalsContact CD-O 3.29Å; R308-Q332 WeakPolarHBondContact CD-O 3.19Å; R308-Q332 PolarHBondContact NH1-O 3.35Å; R308-P333 WeakPolarHBondContact CB-O 3.23Å; R308-S334 PolarHBondContact NH2-OG 3.25Å; R308-I335 PolarHBondContact O-N 2.68Å
309L94Very high79.1Confident30 Ų3060.2 Ų60.216%0.15732%0.321CS..EExtended strand (participates in β ladder)trans-94.2122.5-179.6178.362.4000112.6L301 V302 V306 I311 I335 A337L301-L309 HydrophobicContact CB-CD2 4.31Å; L301-L309 HydrophobicContact CD1-CD1 4.11Å; V302-L309 HydrophobicContact CG2-CD2 3.77Å; V306-L309 HydrophobicContact CG1-CB 4.12Å; L309-I311 HydrophobicContact CD2-CD1 4.44Å; L309-I311 HydrophobicContact CD2-CG1 4.31Å; L309-I311 HydrophobicContact CG-CG1 4.2Å; L309-I335 HydrophobicContact CD1-CB 3.99Å; L309-I335 HydrophobicContact CD1-CG2 3.59Å; L309-A337 HydrophobicContact CD1-CB 4.03Å
310S93.7Very high76.7Confident50 Ų5065.9 Ų65.935%0.3535%0.347SS..EExtended strand (participates in β ladder)trans-109.7117.4169.9-61.30000110.4I335 E336 A337S310-I335 PolarHBondContact N-O 2.91Å; S310-E336 WeakPolarHBondContact O-CA 3.45Å; S310-A337 PolarHBondContact O-N 3.21Å
311I90.4Very high74.2Confident33 Ų3369.5 Ų69.517%0.16936%0.362CS..EExtended strand (participates in β ladder)trans-95.2111.3174.8-57.2174.1000108.8F294 T298 L309 I594 R595F294-I311 HydrophobicContact CE1-CG2 4Å; F294-I311 HydrophobicContact CZ-CG2 4.22Å; T298-I311 HydrophobicContact CG2-CD1 3.79Å; T298-I311 HydrophobicContact CG2-CG1 4Å; L309-I311 HydrophobicContact CD2-CD1 4.44Å; L309-I311 HydrophobicContact CD2-CG1 4.31Å; L309-I311 HydrophobicContact CG-CG1 4.2Å; I311-I594 HydrophobicContact CD1-CG2 4.38Å; I311-R595 PolarHBondContact O-NH2 3.06Å
312L81.3Confident71.4Confident16 Ų1673.6 Ų73.68%0.08439%0.391CS..EExtended strand (participates in β ladder)trans-109.8141.3-169.1-59.7175.2000110.3H321 E336 A337 Y338L312-H321 WeakPolarHBondContact CD2-CE1 3.23Å; L312-E336 HydrophobicContact CD1-CB 3.93Å; L312-E336 HydrophobicContact CD1-CG 4.04Å; L312-A337 PolarHBondContact N-O 3.16Å; L312-Y338 HydrophobicContact CB-CD1 4.02Å; L312-Y338 HydrophobicContact CB-CE1 3.77Å; L312-Y338 HydrophobicContact CD1-CE1 3.81Å; L312-Y338 HydrophobicContact CD1-CE2 4.11Å; L312-Y338 VanDerWaalsContact CD1-CZ 3.46Å; L312-Y338 WeakPolarHBondContact CD1-OH 3.29Å; L312-Y338 HydrophobicContact CG-CE1 4.43Å
313D68.3Low68.6Low30 Ų3080.7 Ų80.716%0.1642%0.417CS..  trans-100.6125.8165.3-169.2-27.2000106.7S315 N316D313-S315 PolarHBondContact O-N 3.36Å; D313-S315 PolarHBondContact OD1-N 3.49Å; D313-S315 PolarHBondContact OD1-OG 3.3Å; D313-S315 PolarHBondContact OD2-OG 3.44Å; D313-N316 HydrophobicContact CB-CB 4.44Å; D313-N316 PolarHBondContact O-N 3.28Å
314W55Low66.4Low89 Ų8983.5 Ų83.534%0.33743%0.425SS..G310 helixtrans-59.6-37.4-179.2-177.9-102.6000111.6N316 Y338 F352W314-N316 PolarHBondContact O-N 3.01Å; W314-Y338 HydrophobicContact CE3-CD1 4.14Å; W314-Y338 HydrophobicContact CE3-CE1 4.07Å; W314-Y338 HydrophobicContact CZ3-CE1 4.5Å; W314-F352 HydrophobicContact CH2-CE2 4.37Å; W314-F352 HydrophobicContact CZ3-CE2 4.33Å; W314-F352 HydrophobicContact CZ3-CZ 4.27Å
315S52.1Low63.8Low68 Ų6892.1 Ų92.148%0.47646%0.462SS..G310 helixtrans-69.3-18.7-176.862.70000114.1D313D313-S315 PolarHBondContact O-N 3.36Å; D313-S315 PolarHBondContact OD1-N 3.49Å; D313-S315 PolarHBondContact OD1-OG 3.3Å; D313-S315 PolarHBondContact OD2-OG 3.44Å
316N49.1Very low61.3Low58 Ų58101.8 Ų101.831%0.3150%0.497SS..G310 helixtrans-119.822.8-173.7-91.5-50.6000113.1D313 W314 N318 K319 E588D313-N316 HydrophobicContact CB-CB 4.44Å; D313-N316 PolarHBondContact O-N 3.28Å; W314-N316 PolarHBondContact O-N 3.01Å; N316-N318 PolarHBondContact O-N 3.2Å; N316-K319 PolarHBondContact O-N 2.94Å; N316-K319 VanDerWaalsContact O-N 3.15Å; N316-E588 PolarHBondContact ND2-OE1 2.85Å
317S49.9Very low58.7Low81 Ų81104.6 Ų104.657%0.56652%0.518SS*.THydrogen-bonded Turntrans-60.4-15.8-176.562.70000114.9
318N45.1Very low57Low155 Ų155105.9 Ų105.983%0.82953%0.527SS*.THydrogen-bonded Turntrans-91-1.9178.3-74.5-18.4000115.4N316N316-N318 PolarHBondContact O-N 3.2Å
319K40.8Very low55.8Low161 Ų161111.5 Ų111.570%0.756%0.557SS**SBendtrans-98112.2173.2-77.1179.5-178.4166.40110.6N316 H321N316-K319 PolarHBondContact O-N 2.94Å; N316-K319 VanDerWaalsContact O-N 3.15Å; K319-H321 PolarHBondContact O-N 2.89Å
320H42.6Very low55.3Low195 Ų195110.8 Ų110.890%0.90355%0.554SS**  trans-39.3125.7173.3-85.1-80.9000112.3
321H40.7Very low55.1Low111 Ų111113 Ų11351%0.51457%0.569SS.*  trans-53.3137.8-176.8-68.9-48.9000113.2L312 K319 K323L312-H321 WeakPolarHBondContact CD2-CE1 3.23Å; K319-H321 PolarHBondContact O-N 2.89Å; H321-K323 PolarHBondContact O-N 2.98Å
322S38.2Very low55.3Low85 Ų85112.1 Ų112.159%0.59457%0.565SS**  trans-43115.3149.7-90.20000108.2H324S322-H324 VanDerWaalsContact C-N 3.33Å; S322-H324 PolarHBondContact O-N 3.08Å
323K36.6Very low56.1Low208 Ų208111.3 Ų111.390%0.90456%0.561SS**  trans-49.994.3172.9-67.6173.5178.7172.70109.1H321H321-K323 PolarHBondContact O-N 2.98Å
324H47.1Very low57.4Low140 Ų140111.4 Ų111.465%0.64856%0.563SS**  trans-68.5128.4151.1-91-82.3000105.8S322 K326S322-H324 VanDerWaalsContact C-N 3.33Å; S322-H324 PolarHBondContact O-N 3.08Å; H324-K326 PolarHBondContact O-N 2.75Å
325K41.2Very low59.4Low180 Ų180107.1 Ų107.178%0.78355%0.547SS*.  trans-40.9123.8-177.8-84.6175167.9174.90109.7S327K325-S327 WeakPolarHBondContact CB-OG 3.29Å; K325-S327 PolarHBondContact O-N 3.48Å
326K40.1Very low61.6Low226 Ų226105.2 Ų105.298%0.98353%0.531SS*.  trans-59.785.6150.3-79-177.8175-179.60105.8H324H324-K326 PolarHBondContact O-N 2.75Å
327S42.2Very low63.8Low72 Ų72102.5 Ų102.550%0.50352%0.516SS..  trans-141.1120.6175.763.20000110.3K325K325-S327 WeakPolarHBondContact CB-OG 3.29Å; K325-S327 PolarHBondContact O-N 3.48Å
328I56.2Low65.9Low154 Ų15498.9 Ų98.979%0.7949%0.49SS*.SBendtrans82.9126.7168.2-55.9164.7000114.4S330I328-S330 PolarHBondContact O-N 3.05Å
329Q67.4Low68.3Low200 Ų20093 Ų9394%0.93546%0.461SS*.  trans-61.680.4173.5-75.8172.9-22.500109.8
330S82.8Confident70.8Confident15 Ų1586 Ų8611%0.10543%0.432CS..  trans-73.3133.4174.2-176.80000110E307 I328 Q332E307-S330 WeakPolarHBondContact OE2-CB 3.25Å; E307-S330 PolarHBondContact OE2-OG 3.22Å; I328-S330 PolarHBondContact O-N 3.05Å; S330-Q332 WeakPolarHBondContact OG-CB 3.46Å; S330-Q332 PolarHBondContact OG-N 2.76Å
331S91.1Very high73.2Confident95 Ų9578.5 Ų78.566%0.66440%0.399SS*.  trans-77.6-9.2171.859.60000112.8N280N280-S331 WeakPolarHBondContact CB-O 3.34Å; N280-S331 PolarHBondContact N-O 3.2Å
332Q94.4Very high75.9Confident15 Ų1573.4 Ų73.47%0.0738%0.375CS..SBendtrans-75.9151.8-178.2-58.5-177.414.700111.8I275 N280 G305 R308 S330I275-Q332 HydrophobicContact CG2-CB 4.48Å; N280-Q332 VanDerWaalsContact CA-O 3.31Å; N280-Q332 WeakPolarHBondContact CA-O 3.33Å; G305-Q332 PolarHBondContact O-NE2 3.26Å; R308-Q332 VanDerWaalsContact CD-O 3.29Å; R308-Q332 WeakPolarHBondContact CD-O 3.19Å; R308-Q332 PolarHBondContact NH1-O 3.35Å; S330-Q332 WeakPolarHBondContact OG-CB 3.46Å; S330-Q332 PolarHBondContact OG-N 2.76Å
333P96.6Very high78.7Confident0 Ų071.9 Ų71.90%036%0.36CS..PPolyproline II helixtrans-60.5164.8168.128.4-37.6000112.1I275 L278 S279 S282 I284 R308 I335I275-P333 HydrophobicContact CB-CG 4.42Å; I275-P333 HydrophobicContact CG2-CG 3.92Å; L278-P333 HydrophobicContact CB-CB 4.24Å; L278-P333 HydrophobicContact CB-CG 4.08Å; S279-P333 WeakPolarHBondContact O-CA 3.44Å; S279-P333 WeakPolarHBondContact O-CB 3.48Å; S282-P333 WeakPolarHBondContact O-CA 3.46Å; S282-P333 WeakPolarHBondContact O-CB 3.49Å; S282-P333 WeakPolarHBondContact OG-CB 3.39Å; I284-P333 HydrophobicContact CD1-CG 3.95Å; I284-P333 HydrophobicContact CG1-CB 4.35Å; I284-P333 HydrophobicContact CG1-CG 4.24Å; R308-P333 WeakPolarHBondContact CB-O 3.23Å; P333-I335 HydrophobicContact CG-CD1 4.38Å; P333-I335 VanDerWaalsContact O-CD1 3.23Å; P333-I335 WeakPolarHBondContact O-CD1 3.13Å
334S96.7Very high81.5Confident31 Ų3165.1 Ų65.122%0.21734%0.339CS..EExtended strand (participates in β ladder)trans-73.9139.2164.8-67.40000109.8S282 T283 I284 R308S282-S334 PolarHBondContact O-N 3.04Å; T283-S334 CarbonylContact C-O 3.53Å; T283-S334 WeakPolarHBondContact CA-O 3.44Å; I284-S334 PolarHBondContact N-O 2.82Å; R308-S334 PolarHBondContact NH2-OG 3.25Å
335I97.3Very high83.8Confident0 Ų058.6 Ų58.60%031%0.309CS..EExtended strand (participates in β ladder)trans-114.6127.9171.5-6170000108.5I275 I284 V286 L301 V306 R308 L309 S310 P333I275-I335 HydrophobicContact CD1-CD1 4.36Å; I275-I335 HydrophobicContact CD1-CG1 4.17Å; I275-I335 HydrophobicContact CG1-CD1 4.31Å; I275-I335 HydrophobicContact CG1-CG1 4.25Å; I284-I335 WeakPolarHBondContact O-CA 3.5Å; V286-I335 HydrophobicContact CG1-CG2 4.06Å; V286-I335 HydrophobicContact CG2-CG2 3.97Å; L301-I335 HydrophobicContact CD1-CG2 4.21Å; V306-I335 HydrophobicContact CG1-CB 4.44Å; V306-I335 HydrophobicContact CG1-CD1 3.53Å; V306-I335 HydrophobicContact CG1-CG1 3.91Å; R308-I335 PolarHBondContact O-N 2.68Å; L309-I335 HydrophobicContact CD1-CB 3.99Å; L309-I335 HydrophobicContact CD1-CG2 3.59Å; S310-I335 PolarHBondContact N-O 2.91Å; P333-I335 HydrophobicContact CG-CD1 4.38Å; P333-I335 VanDerWaalsContact O-CD1 3.23Å; P333-I335 WeakPolarHBondContact O-CD1 3.13Å
336E96.6Very high86.4Confident28 Ų2853.6 Ų53.613%0.13129%0.291CS..EExtended strand (participates in β ladder)trans-120.3114.6174.9-67.4-165.3166.900111.3T283 I284 F285 V286 S310 L312 Y338 K351T283-E336 HydrophobicContact CG2-CG 3.99Å; I284-E336 PolarHBondContact O-N 2.81Å; F285-E336 HydrophobicContact CD1-CB 4.1Å; F285-E336 HydrophobicContact CE1-CB 4.5Å; F285-E336 WeakPolarHBondContact CE1-OE2 3.28Å; V286-E336 PolarHBondContact N-O 3.18Å; S310-E336 WeakPolarHBondContact O-CA 3.45Å; L312-E336 HydrophobicContact CD1-CB 3.93Å; L312-E336 HydrophobicContact CD1-CG 4.04Å; E336-Y338 HydrophobicContact CB-CE2 3.77Å; E336-Y338 PolarHBondContact OE2-OH 3.23Å; E336-K351 WeakPolarHBondContact OE1-CE 3.23Å; E336-K351 IonicContact OE1-NZ 3.64Å; E336-K351 PolarHBondContact OE1-NZ 3.19Å; E336-K351 WeakPolarHBondContact OE2-CE 3.16Å; E336-K351 IonicContact OE2-NZ 2.7Å; E336-K351 PolarHBondContact OE2-NZ 2.93Å
337A96.1Very high89.1Confident0 Ų043.3 Ų43.30%025%0.247CC..EExtended strand (participates in β ladder)trans-105.6127.8-17300000112.3V286 F294 L297 T298 L309 S310 L312V286-A337 HydrophobicContact CG2-CB 3.38Å; V286-A337 WeakPolarHBondContact O-CA 3.46Å; F294-A337 HydrophobicContact CE2-CB 3.85Å; F294-A337 HydrophobicContact CZ-CB 3.64Å; L297-A337 HydrophobicContact CD2-CB 4.47Å; T298-A337 HydrophobicContact CG2-CB 4.32Å; L309-A337 HydrophobicContact CD1-CB 4.03Å; S310-A337 PolarHBondContact O-N 3.21Å; L312-A337 PolarHBondContact N-O 3.16Å
338Y94.4Very high91.7Very high6 Ų647.8 Ų47.82%0.02425%0.254CS..EExtended strand (participates in β ladder)trans-121.5124.1-179.3-59-95.2000111F285 V286 V287 D288 F294 L312 W314 E336 S340 K351F285-Y338 HydrophobicContact CD1-CE2 4.07Å; V286-Y338 PolarHBondContact O-N 2.9Å; V287-Y338 WeakPolarHBondContact CA-O 3.34Å; D288-Y338 PolarHBondContact N-O 2.62Å; F294-Y338 WeakPolarHBondContact CE2-O 3.17Å; L312-Y338 HydrophobicContact CB-CD1 4.02Å; L312-Y338 HydrophobicContact CB-CE1 3.77Å; L312-Y338 HydrophobicContact CD1-CE1 3.81Å; L312-Y338 HydrophobicContact CD1-CE2 4.11Å; L312-Y338 VanDerWaalsContact CD1-CZ 3.46Å; L312-Y338 WeakPolarHBondContact CD1-OH 3.29Å; L312-Y338 HydrophobicContact CG-CE1 4.43Å; W314-Y338 HydrophobicContact CE3-CD1 4.14Å; W314-Y338 HydrophobicContact CE3-CE1 4.07Å; W314-Y338 HydrophobicContact CZ3-CE1 4.5Å; E336-Y338 HydrophobicContact CB-CE2 3.77Å; E336-Y338 PolarHBondContact OE2-OH 3.23Å; Y338-S340 PolarHBondContact O-N 3.06Å; Y338-K351 PolarHBondContact OH-NZ 3.02Å
339C94.3Very high93.5Very high31 Ų3144.1 Ų44.121%0.20923%0.233CC..  trans-87.978.3170-171.30000109.1D288 F294D288-C339 CarbonylContact O-C 3.56Å; D288-C339 WeakPolarHBondContact O-CA 3.14Å; F294-C339 HydrophobicContact CB-CB 4.35Å; F294-C339 HydrophobicContact CD1-CB 3.66Å; F294-C339 HydrophobicContact CD2-CB 3.95Å; F294-C339 HydrophobicContact CE1-CB 3.85Å; F294-C339 HydrophobicContact CE2-CB 4.15Å; F294-C339 HydrophobicContact CG-CB 3.7Å; F294-C339 HydrophobicContact CZ-CB 4.09Å
340S93.4Very high94.9Very high14 Ų1445 Ų4510%0.09823%0.228CC..SBendtrans-146.3165.2-173.662.80000112.3V287 D288 R289 Y338V287-S340 WeakPolarHBondContact CG1-O 3.45Å; D288-S340 CarbonylContact C-O 3.6Å; D288-S340 PolarHBondContact O-N 2.98Å; R289-S340 VanDerWaalsContact CA-O 3.27Å; R289-S340 WeakPolarHBondContact CA-O 3.19Å; R289-S340 PolarHBondContact N-O 3.33Å; Y338-S340 PolarHBondContact O-N 3.06Å
341D94.4Very high95.4Very high38 Ų3847.6 Ų47.620%0.20324%0.238CC..  trans-70.6133.7166.7-160.7-36.5000109R289 L343 S344R289-D341 WeakPolarHBondContact CD-OD2 3.5Å; R289-D341 HydrophobicContact CG-CB 4.47Å; R289-D341 IonicContact CZ-OD2 2.68Å; R289-D341 IonicContact NE-OD2 3.74Å; R289-D341 IonicContact NH1-OD2 3.69Å; R289-D341 PolarHBondContact NH1-OD2 3.35Å; D341-L343 PolarHBondContact O-N 3.22Å; D341-L343 PolarHBondContact OD1-N 3.37Å; D341-S344 PolarHBondContact O-N 3.1Å; D341-S344 VanDerWaalsContact O-N 3.16Å; D341-S344 PolarHBondContact O-OG 3.38Å
342F97.2Very high95.6Very high4 Ų443.1 Ų43.12%0.01821%0.206CC..G310 helixtrans-61.4-35.1175.6176.9-127.2000110.9L261 A263 V287 S344 I345 L414 H417 A418 F421L261-F342 HydrophobicContact CD1-CE2 4.02Å; L261-F342 HydrophobicContact CD2-CD2 4.01Å; L261-F342 HydrophobicContact CD2-CE2 3.38Å; L261-F342 HydrophobicContact CD2-CZ 3.97Å; L261-F342 HydrophobicContact CG-CE2 4.38Å; A263-F342 HydrophobicContact CB-CB 4.46Å; A263-F342 HydrophobicContact CB-CD1 3.77Å; A263-F342 HydrophobicContact CB-CD2 3.81Å; A263-F342 HydrophobicContact CB-CE1 3.84Å; A263-F342 HydrophobicContact CB-CE2 3.92Å; A263-F342 HydrophobicContact CB-CG 3.75Å; A263-F342 HydrophobicContact CB-CZ 3.91Å; V287-F342 HydrophobicContact CG1-CB 4.43Å; F342-S344 PolarHBondContact O-N 3.42Å; F342-I345 HydrophobicContact CD2-CD1 4.13Å; F342-I345 WeakPolarHBondContact O-CB 3.5Å; F342-I345 PolarHBondContact O-N 2.92Å; F342-I345 VanDerWaalsContact O-N 3.14Å; F342-L414 HydrophobicContact CB-CD2 3.96Å; F342-L414 HydrophobicContact CD1-CB 4.39Å; F342-L414 HydrophobicContact CD1-CD2 3.71Å; F342-L414 WeakPolarHBondContact CE1-O 3.02Å; F342-L414 HydrophobicContact CG-CD2 4.33Å; F342-H417 AromaticContact CD1-CD2 3.97Å; F342-H417 HydrophobicContact CE1-CB 4.32Å; F342-H417 AromaticContact CE1-CD2 3.65Å; F342-H417 AromaticContact CE2-CD2 3.91Å; F342-H417 AromaticContact CZ-CD2 3.62Å; F342-H417 PolarHBondContact O-CD2 3.19Å; F342-H417 PolarHBondContact O-NE2 3.24Å; F342-A418 HydrophobicContact CE1-CB 4.06Å; F342-A418 HydrophobicContact CZ-CB 4.09Å; F342-F421 AromaticContact CE2-CE2 3.9Å; F342-F421 HydrophobicContact CE2-CE2 3.9Å; F342-F421 HydrophobicContact CE2-CZ 4.06Å; F342-F421 AromaticContact CZ-CE2 3.9Å; F342-F421 HydrophobicContact CZ-CE2 3.9Å; F342-F421 HydrophobicContact CZ-CZ 4.5Å
343L97.3Very high95.6Very high52 Ų5245.3 Ų45.327%0.27222%0.223SC..G310 helixtrans-66.1-17.6178.9-62.4176.9000113.7D341 L410 M413 L414 H417D341-L343 PolarHBondContact O-N 3.22Å; D341-L343 PolarHBondContact OD1-N 3.37Å; L343-L410 HydrophobicContact CD1-CD1 4.38Å; L343-M413 HydrophobicContact CD1-CB 4.42Å; L343-M413 HydrophobicContact CD1-CE 3.86Å; L343-M413 HydrophobicContact CD2-CB 4.37Å; L343-L414 HydrophobicContact CD1-CD2 4.47Å; L343-L414 HydrophobicContact CD2-CD2 3.9Å; L343-L414 HydrophobicContact CD2-CG 4.47Å; L343-L414 HydrophobicContact CG-CD2 3.81Å; L343-H417 HydrophobicContact CD2-CB 3.67Å
344S95.2Very high95.6Very high66 Ų6648.2 Ų48.246%0.46224%0.238SC..G310 helixtrans-89.1-5.4177.268.70000113.7D341 F342D341-S344 PolarHBondContact O-N 3.1Å; D341-S344 VanDerWaalsContact O-N 3.16Å; D341-S344 PolarHBondContact O-OG 3.38Å; F342-S344 PolarHBondContact O-N 3.42Å
345I94.3Very high95.7Very high4 Ų446.7 Ų46.72%0.02123%0.228CC..SBendtrans-75.5132.4177.4-63.2-170.7000108.6V287 F342 P347 F352 H417 F421V287-I345 HydrophobicContact CB-CD1 4.36Å; V287-I345 HydrophobicContact CG1-CD1 4Å; V287-I345 HydrophobicContact CG2-CD1 3.48Å; V287-I345 VanDerWaalsContact CG2-CD1 3.48Å; F342-I345 HydrophobicContact CD2-CD1 4.13Å; F342-I345 WeakPolarHBondContact O-CB 3.5Å; F342-I345 PolarHBondContact O-N 2.92Å; F342-I345 VanDerWaalsContact O-N 3.14Å; I345-P347 VanDerWaalsContact O-CD 3.23Å; I345-P347 WeakPolarHBondContact O-CD 3.43Å; I345-F352 HydrophobicContact CG2-CD2 3.99Å; I345-F352 HydrophobicContact CG2-CE1 4.42Å; I345-F352 HydrophobicContact CG2-CE2 3.33Å; I345-F352 HydrophobicContact CG2-CZ 3.59Å; I345-H417 PolarHBondContact O-CE1 3.45Å; I345-H417 PolarHBondContact O-NE2 2.94Å; I345-F421 HydrophobicContact CG2-CZ 3.99Å
346D95.8Very high95.8Very high75 Ų7549.6 Ų49.640%0.40124%0.241SC..  trans-80.3113.8172.2174.517.6000110.3Y348 H349 F352D346-Y348 PolarHBondContact O-N 2.97Å; D346-Y348 PolarHBondContact OD1-N 2.66Å; D346-H349 HydrophobicContact CB-CB 4.18Å; D346-H349 WeakPolarHBondContact O-CB 3.34Å; D346-H349 PolarHBondContact O-N 3.39Å; D346-H349 PolarHBondContact OD2-N 3.08Å; D346-F352 WeakPolarHBondContact O-CD2 3.37Å
347P96.9Very high95.9Very high10 Ų1048.4 Ų48.47%0.06524%0.236CC..THydrogen-bonded Turntrans-63.6-21.2179.7-22.136.3000114.1I345 K420 F421 P422I345-P347 VanDerWaalsContact O-CD 3.23Å; I345-P347 WeakPolarHBondContact O-CD 3.43Å; P347-K420 HydrophobicContact CB-CB 3.95Å; P347-K420 HydrophobicContact CG-CB 3.7Å; P347-F421 HydrophobicContact CB-CB 4.46Å; P347-F421 HydrophobicContact CB-CD1 4.18Å; P347-F421 HydrophobicContact CB-CD2 3.72Å; P347-F421 HydrophobicContact CB-CE1 4.34Å; P347-F421 HydrophobicContact CB-CE2 3.88Å; P347-F421 HydrophobicContact CB-CG 3.87Å; P347-F421 HydrophobicContact CB-CZ 4.19Å; P347-F421 HydrophobicContact CG-CD2 4.14Å; P347-F421 HydrophobicContact CG-CE2 3.94Å; P347-F421 HydrophobicContact CG-CZ 4.41Å; P347-P422 VanDerWaalsContact O-CD 3.25Å; P347-P422 WeakPolarHBondContact O-CD 3.43Å
348Y96.8Very high96Very high165 Ų16548.4 Ų48.465%0.64724%0.236SC*.THydrogen-bonded Turntrans-92.9-4-179.1-63.3-83.8000113.2D346 R350 P422D346-Y348 PolarHBondContact O-N 2.97Å; D346-Y348 PolarHBondContact OD1-N 2.66Å; Y348-R350 PolarHBondContact O-N 3.4Å; Y348-P422 HydrophobicContact CD1-CG 4.49Å
349H95.4Very high96.2Very high77 Ų7748.1 Ų48.136%0.35624%0.235SC..SBendtrans-61129.1176.9-174.3-85000110.1D346 K351 F352D346-H349 HydrophobicContact CB-CB 4.18Å; D346-H349 WeakPolarHBondContact O-CB 3.34Å; D346-H349 PolarHBondContact O-N 3.39Å; D346-H349 PolarHBondContact OD2-N 3.08Å; H349-K351 WeakPolarHBondContact ND1-CB 3.45Å; H349-K351 PolarHBondContact ND1-N 3.28Å; H349-K351 PolarHBondContact O-N 2.95Å; H349-F352 HydrophobicContact CB-CD2 3.91Å; H349-F352 HydrophobicContact CB-CE2 4.1Å; H349-F352 PolarHBondContact O-N 3.44Å
350R95.1Very high96.4Very high220 Ų22046.6 Ų46.683%0.8323%0.225SC*.G310 helixtrans-48.8-32.6-172.9-178.5178.91761800.8113.8Y348 F352 S353Y348-R350 PolarHBondContact O-N 3.4Å; R350-F352 PolarHBondContact O-N 2.8Å; R350-S353 WeakPolarHBondContact O-CB 3.49Å; R350-S353 PolarHBondContact O-N 3.15Å; R350-S353 VanDerWaalsContact O-N 3.1Å; R350-S353 PolarHBondContact O-OG 3.44Å
351K93.5Very high96.6Very high69 Ų6947.6 Ų47.630%0.323%0.229SC..G310 helixtrans-60-30.6179-158.6176.4-162.3-177.50113.8F285 E336 Y338 H349F285-K351 HydrophobicContact CE1-CD 4.13Å; F285-K351 HydrophobicContact CE1-CG 3.9Å; F285-K351 HydrophobicContact CZ-CG 4.12Å; F285-K351 VanDerWaalsContact CZ-O 3.26Å; F285-K351 WeakPolarHBondContact CZ-O 3.34Å; E336-K351 WeakPolarHBondContact OE1-CE 3.23Å; E336-K351 IonicContact OE1-NZ 3.64Å; E336-K351 PolarHBondContact OE1-NZ 3.19Å; E336-K351 WeakPolarHBondContact OE2-CE 3.16Å; E336-K351 IonicContact OE2-NZ 2.7Å; E336-K351 PolarHBondContact OE2-NZ 2.93Å; Y338-K351 PolarHBondContact OH-NZ 3.02Å; H349-K351 WeakPolarHBondContact ND1-CB 3.45Å; H349-K351 PolarHBondContact ND1-N 3.28Å; H349-K351 PolarHBondContact O-N 2.95Å
352F95.8Very high96.7Very high1 Ų146 Ų460%0.00422%0.221CC..G310 helixtrans-95.26.8178.8-51.3-64.1000113L261 F285 W314 I345 D346 H349 R350 N354 V355 F421L261-F352 HydrophobicContact CD1-CD1 4.42Å; F285-F352 HydrophobicContact CB-CE1 4.28Å; F285-F352 HydrophobicContact CD1-CD1 4.02Å; F285-F352 AromaticContact CD1-CE1 3.62Å; F285-F352 HydrophobicContact CD1-CE1 3.62Å; F285-F352 AromaticContact CD2-CD1 3.95Å; F285-F352 HydrophobicContact CD2-CD1 3.95Å; F285-F352 HydrophobicContact CD2-CE1 4.3Å; F285-F352 HydrophobicContact CE1-CD1 4.1Å; F285-F352 AromaticContact CE1-CE1 3.96Å; F285-F352 HydrophobicContact CE1-CE1 3.96Å; F285-F352 HydrophobicContact CE2-CD1 4.03Å; F285-F352 AromaticContact CG-CD1 3.94Å; F285-F352 HydrophobicContact CG-CD1 3.94Å; F285-F352 AromaticContact CG-CE1 3.8Å; F285-F352 HydrophobicContact CG-CE1 3.8Å; F285-F352 HydrophobicContact CZ-CD1 4.11Å; F285-F352 HydrophobicContact CZ-CE1 4.44Å; W314-F352 HydrophobicContact CH2-CE2 4.37Å; W314-F352 HydrophobicContact CZ3-CE2 4.33Å; W314-F352 HydrophobicContact CZ3-CZ 4.27Å; I345-F352 HydrophobicContact CG2-CD2 3.99Å; I345-F352 HydrophobicContact CG2-CE1 4.42Å; I345-F352 HydrophobicContact CG2-CE2 3.33Å; I345-F352 HydrophobicContact CG2-CZ 3.59Å; D346-F352 WeakPolarHBondContact O-CD2 3.37Å; H349-F352 HydrophobicContact CB-CD2 3.91Å; H349-F352 HydrophobicContact CB-CE2 4.1Å; H349-F352 PolarHBondContact O-N 3.44Å; R350-F352 PolarHBondContact O-N 2.8Å; F352-N354 PolarHBondContact O-N 3.13Å; F352-V355 HydrophobicContact CB-CG2 3.96Å; F352-V355 HydrophobicContact CD1-CG2 4.24Å; F352-V355 WeakPolarHBondContact O-CB 3.48Å; F352-V355 WeakPolarHBondContact O-CG2 3.47Å; F352-V355 PolarHBondContact O-N 3.07Å; F352-F421 HydrophobicContact CB-CD1 3.91Å; F352-F421 HydrophobicContact CB-CE1 3.66Å; F352-F421 HydrophobicContact CD1-CE1 4.32Å; F352-F421 HydrophobicContact CD2-CE1 4.14Å; F352-F421 AromaticContact CG-CE1 3.79Å; F352-F421 HydrophobicContact CG-CE1 3.79Å
353S95.6Very high96.4Very high61 Ų6148.5 Ų48.543%0.42724%0.239SC..THydrogen-bonded Turntrans-60.8-26.1-178.259.30000113.3R350 N423R350-S353 WeakPolarHBondContact O-CB 3.49Å; R350-S353 PolarHBondContact O-N 3.15Å; R350-S353 VanDerWaalsContact O-N 3.1Å; R350-S353 PolarHBondContact O-OG 3.44Å; S353-N423 WeakPolarHBondContact O-CB 3.43Å; S353-N423 PolarHBondContact O-ND2 3.42Å
354N96.4Very high96.1Very high60 Ų6046.7 Ų46.732%0.32123%0.23SC..THydrogen-bonded Turntrans-94.75.1177-166.345.7000113.6D259 F352 Q356D259-N354 HydrophobicContact CB-CB 4.37Å; D259-N354 WeakPolarHBondContact CB-O 3.42Å; D259-N354 PolarHBondContact N-O 3.35Å; D259-N354 PolarHBondContact OD1-ND2 2.98Å; D259-N354 WeakPolarHBondContact OD2-CB 3.45Å; F352-N354 PolarHBondContact O-N 3.13Å; N354-Q356 PolarHBondContact O-N 2.98Å
355V98.3Very high95.7Very high0 Ų044 Ų440%021%0.212CC..EExtended strand (participates in β ladder)trans-71.8112.8177.3176.10000109.4D259 L261 F285 F352 I358 F421 N423 V424D259-V355 HydrophobicContact CB-CG2 4.01Å; D259-V355 WeakPolarHBondContact O-CA 3.45Å; L261-V355 HydrophobicContact CB-CG1 3.94Å; F285-V355 HydrophobicContact CD2-CG2 3.61Å; F285-V355 HydrophobicContact CE2-CG2 3.58Å; F352-V355 HydrophobicContact CB-CG2 3.96Å; F352-V355 HydrophobicContact CD1-CG2 4.24Å; F352-V355 WeakPolarHBondContact O-CB 3.48Å; F352-V355 WeakPolarHBondContact O-CG2 3.47Å; F352-V355 PolarHBondContact O-N 3.07Å; V355-I358 HydrophobicContact CG1-CD1 4.46Å; V355-I358 HydrophobicContact CG1-CG1 3.98Å; V355-F421 HydrophobicContact CG1-CD1 4.5Å; V355-N423 CarbonylContact O-C 3.52Å; V355-N423 VanDerWaalsContact O-C 3.32Å; V355-V424 PolarHBondContact O-N 2.92Å
356Q98.3Very high95.1Very high60 Ų6044.1 Ų44.128%0.2821%0.214SC..EExtended strand (participates in β ladder)trans-110.8-20178-63.4-17418.600112.8D259 N354 Q425 R426D259-Q356 PolarHBondContact O-N 3.03Å; N354-Q356 PolarHBondContact O-N 2.98Å; Q356-Q425 HydrophobicContact CB-CG 4.18Å; Q356-Q425 HydrophobicContact CG-CG 4.47Å; Q356-Q425 PolarHBondContact O-N 3.38Å; Q356-R426 PolarHBondContact O-N 3.14Å; Q356-R426 VanDerWaalsContact O-N 3.12Å
357S98.6Very high94.5Very high3 Ų340.9 Ų40.92%0.02120%0.197CC..EExtended strand (participates in β ladder)trans-129.5134.1-178.2-62.70000111V260 L261 R426V260-S357 WeakPolarHBondContact CA-O 3.38Å; L261-S357 PolarHBondContact N-O 3.39Å; S357-R426 WeakPolarHBondContact CA-O 3.33Å
358I98.7Very high93.9Very high0 Ų040.6 Ų40.60%020%0.196CC..EExtended strand (participates in β ladder)trans-123129176.6-57.5-178000109.8L252 L261 V355 A418 F421 V424 R426 V427 V428L252-I358 WeakPolarHBondContact CD1-O 3.39Å; L261-I358 HydrophobicContact CB-CG1 4.21Å; L261-I358 HydrophobicContact CD2-CG2 4.06Å; L261-I358 CarbonylContact O-C 3.59Å; L261-I358 WeakPolarHBondContact O-CA 3.41Å; V355-I358 HydrophobicContact CG1-CD1 4.46Å; V355-I358 HydrophobicContact CG1-CG1 3.98Å; I358-A418 HydrophobicContact CD1-CB 4Å; I358-A418 WeakPolarHBondContact CD1-O 3.3Å; I358-A418 HydrophobicContact CG2-CB 4.14Å; I358-F421 HydrophobicContact CD1-CB 4.18Å; I358-F421 HydrophobicContact CD1-CD2 3.8Å; I358-F421 HydrophobicContact CD1-CE2 4.38Å; I358-F421 HydrophobicContact CD1-CG 3.95Å; I358-V424 HydrophobicContact CB-CG2 4.45Å; I358-V424 HydrophobicContact CD1-CB 4.39Å; I358-V424 HydrophobicContact CD1-CG2 3.82Å; I358-V424 HydrophobicContact CG1-CG2 3.74Å; I358-R426 PolarHBondContact N-O 3.16Å; I358-V427 HydrophobicContact CB-CG1 4.43Å; I358-V427 HydrophobicContact CB-CG2 4.34Å; I358-V427 WeakPolarHBondContact O-CA 3.5Å; I358-V428 PolarHBondContact O-N 3.11Å
359L98.7Very high93Very high0 Ų034.8 Ų34.80%018%0.176CC..EExtended strand (participates in β ladder)trans-102.5122.3168.5-176.366.2000109.1P249 L252 L261 A263 K270 L274 V428P249-L359 HydrophobicContact CG-CD2 4.39Å; L252-L359 HydrophobicContact CD2-CB 4.15Å; L261-L359 PolarHBondContact O-N 2.59Å; A263-L359 PolarHBondContact N-O 3.16Å; K270-L359 HydrophobicContact CB-CD2 3.66Å; K270-L359 HydrophobicContact CD-CD2 3.85Å; K270-L359 HydrophobicContact CG-CD2 4.39Å; L274-L359 HydrophobicContact CD1-CB 4.5Å; L274-L359 HydrophobicContact CD1-CD2 3.9Å; L359-V428 HydrophobicContact CD1-CB 3.93Å; L359-V428 HydrophobicContact CD1-CG1 3.69Å
360L98.5Very high91.7Very high0 Ų032.9 Ų32.90%017%0.171CC..EExtended strand (participates in β ladder)trans-124.3101178.5-176.861.2000110.3A263 P362 L414 L415 V428 Y429 S430A263-L360 HydrophobicContact CB-CD1 3.63Å; L360-P362 HydrophobicContact CD1-CB 4.37Å; L360-P362 HydrophobicContact CG-CG 4.44Å; L360-P362 WeakPolarHBondContact O-CD 3.04Å; L360-L414 HydrophobicContact CD1-CB 4.06Å; L360-L414 HydrophobicContact CD1-CD1 4.46Å; L360-L414 HydrophobicContact CD2-CB 3.89Å; L360-L415 HydrophobicContact CD2-CB 4.31Å; L360-L415 HydrophobicContact CD2-CD2 3.58Å; L360-L415 HydrophobicContact CD2-CG 3.56Å; L360-V428 PolarHBondContact N-O 2.59Å; L360-Y429 HydrophobicContact CD2-CD2 4.39Å; L360-Y429 HydrophobicContact CG-CD2 4.44Å; L360-Y429 WeakPolarHBondContact O-CA 3Å; L360-S430 PolarHBondContact O-N 3.36Å
361D97.2Very high90.2Very high34 Ų3425 Ų2518%0.18215%0.145CC..  trans-115.575.4173.5-174.253000109.7C264 K270 S430C264-D361 VanDerWaalsContact CB-O 3.28Å; C264-D361 WeakPolarHBondContact CB-O 3.26Å; K270-D361 HydrophobicContact CD-CB 4.24Å; K270-D361 IonicContact NZ-OD1 3.47Å; K270-D361 IonicContact NZ-OD2 3.33Å; K270-D361 PolarHBondContact NZ-OD2 2.87Å; D361-S430 PolarHBondContact OD1-OG 3.16Å
362P96.1Very high88.7Confident5 Ų525.9 Ų25.93%0.03215%0.146CC..  trans-76.8172.3-17033.5-35.1000112.1L360 C364 Q411 L414 Y429 S430L360-P362 HydrophobicContact CD1-CB 4.37Å; L360-P362 HydrophobicContact CG-CG 4.44Å; L360-P362 WeakPolarHBondContact O-CD 3.04Å; P362-C364 PolarHBondContact O-N 2.82Å; P362-Q411 HydrophobicContact CB-CG 4.29Å; P362-Q411 HydrophobicContact CG-CB 4.45Å; P362-Q411 HydrophobicContact CG-CG 3.72Å; P362-L414 HydrophobicContact CB-CD1 3.73Å; P362-Y429 HydrophobicContact CG-CE2 3.78Å; P362-S430 WeakPolarHBondContact CD-O 3.47Å
363S91Very high87Confident57 Ų5727.7 Ų27.740%0.39916%0.155SC..  trans-56.7126.2170.5-62.60000110.5Q411S363-Q411 PolarHBondContact O-NE2 2.79Å
364C91.9Very high84.8Confident13 Ų1325.1 Ų25.19%0.08814%0.137CC..  trans-117.8170.7179.794.30000110.1P362 G366 C432 E438P362-C364 PolarHBondContact O-N 2.82Å; C364-G366 PolarHBondContact O-N 2.93Å; C364-G366 VanDerWaalsContact O-N 3.16Å; C364-G366 WeakPolarHBondContact SG-CA 3.42Å; C364-G366 PolarHBondContact SG-N 2.79Å; C364-C432 WeakPolarHBondContact CB-SG 3.49Å; C364-C432 WeakPolarHBondContact SG-CA 3.42Å; C364-C432 WeakPolarHBondContact SG-CB 3.39Å; C364-C432 PolarHBondContact SG-N 2.87Å; C364-C432 PolarHBondContact SG-O 3.43Å; C364-C432 CovalentContact SG-SG 2.07Å; C364-C432 PolarHBondContact SG-SG 3.13Å; C364-E438 VanDerWaalsContact CA-OE1 3.28Å; C364-E438 WeakPolarHBondContact CA-OE1 3.43Å
365S86.2Confident82.7Confident10 Ų1023.4 Ų23.47%0.0713%0.128CC..  trans-56.1-29.2172.457.90000113S367 S433 E438S365-S367 VanDerWaalsContact C-N 3.3Å; S365-S367 WeakPolarHBondContact OG-CB 3.41Å; S365-S367 PolarHBondContact OG-N 3.36Å; S365-S367 PolarHBondContact OG-OG 3.23Å; S365-S367 VanDerWaalsContact OG-OG 3.07Å; S365-S433 PolarHBondContact OG-OG 2.94Å; S365-E438 WeakPolarHBondContact CB-OE2 3.2Å; S365-E438 PolarHBondContact N-OE1 3.03Å; S365-E438 PolarHBondContact N-OE2 3.36Å; S365-E438 PolarHBondContact OG-OE2 3.44Å
366G83Confident80.1Confident7 Ų724.7 Ų24.77%0.07214%0.141CC..  trans82.111.1-174.900000112.7C364 G368 L369 C432C364-G366 PolarHBondContact O-N 2.93Å; C364-G366 VanDerWaalsContact O-N 3.16Å; C364-G366 WeakPolarHBondContact SG-CA 3.42Å; C364-G366 PolarHBondContact SG-N 2.79Å; G366-G368 PolarHBondContact O-N 2.75Å; G366-L369 WeakPolarHBondContact O-CB 3.15Å; G366-L369 PolarHBondContact O-N 3.11Å; G366-C432 CarbonylContact C-O 3.58Å
367S82.1Confident77.4Confident7 Ų722.5 Ų22.55%0.04914%0.135CC..G310 helixtrans-59.8-26.3-174.658.60000113.9S365 L369 S433 I434S365-S367 VanDerWaalsContact C-N 3.3Å; S365-S367 WeakPolarHBondContact OG-CB 3.41Å; S365-S367 PolarHBondContact OG-N 3.36Å; S365-S367 PolarHBondContact OG-OG 3.23Å; S365-S367 VanDerWaalsContact OG-OG 3.07Å; S367-L369 VanDerWaalsContact C-N 3.28Å; S367-L369 PolarHBondContact O-N 3.46Å; S367-S433 VanDerWaalsContact OG-CA 3.31Å; S367-S433 WeakPolarHBondContact OG-CA 3.47Å; S367-S433 PolarHBondContact OG-OG 3.46Å; S367-I434 PolarHBondContact OG-N 3.14Å
368G83.8Confident74.7Confident4 Ų427.5 Ų27.54%0.04116%0.161CC..G310 helixtrans-77.4-6.6175.200000115.2G366 C432 N510 G511G366-G368 PolarHBondContact O-N 2.75Å; G368-C432 WeakPolarHBondContact CA-O 3.42Å; G368-C432 PolarHBondContact N-O 3.13Å; G368-N510 WeakPolarHBondContact O-CB 3.43Å; G368-G511 WeakPolarHBondContact CA-O 3.47Å; G368-G511 PolarHBondContact O-N 3.43Å
369L79.6Confident71.9Confident43 Ų4331.9 Ų31.923%0.22518%0.182CC..G310 helixtrans-100.59.4-178.2-59175.6000113.4G366 S367 I371 R372 Q373 C432 N510G366-L369 WeakPolarHBondContact O-CB 3.15Å; G366-L369 PolarHBondContact O-N 3.11Å; S367-L369 VanDerWaalsContact C-N 3.28Å; S367-L369 PolarHBondContact O-N 3.46Å; L369-I371 VanDerWaalsContact C-N 3.31Å; L369-I371 PolarHBondContact O-N 3.5Å; L369-R372 CarbonylContact O-C 3.58Å; L369-R372 PolarHBondContact O-N 3.03Å; L369-Q373 HydrophobicContact CB-CG 4.27Å; L369-Q373 PolarHBondContact O-N 3.04Å; L369-C432 HydrophobicContact CD1-CB 4.33Å; L369-C432 HydrophobicContact CG-CB 4.29Å; L369-N510 HydrophobicContact CD2-CB 3.88Å; L369-N510 WeakPolarHBondContact CD2-ND2 3.45Å
370S68.1Low69.2Low36 Ų3635.6 Ų35.625%0.25220%0.199SC..G310 helixtrans-51.9-43.1-172.655.70000113.5R372 Q373S370-R372 PolarHBondContact O-N 3.23Å; S370-Q373 CarbonylContact O-C 3.55Å; S370-Q373 PolarHBondContact O-N 3.37Å; S370-Q373 VanDerWaalsContact O-N 3.16Å; S370-Q373 VanDerWaalsContact O-O 3.14Å
371I63.5Low66.8Low55 Ų5536.9 Ų36.928%0.28220%0.204SC..G310 helixtrans-60.2-34.1178.2-53.7164.5000112.6L156 L369 E505L156-I371 HydrophobicContact CD1-CD1 3.71Å; L156-I371 HydrophobicContact CD2-CD1 4.14Å; L156-I371 HydrophobicContact CG-CD1 3.78Å; L156-I371 HydrophobicContact CG-CG2 4.39Å; L369-I371 VanDerWaalsContact C-N 3.31Å; L369-I371 PolarHBondContact O-N 3.5Å; I371-E505 HydrophobicContact CD1-CB 3.73Å; I371-E505 HydrophobicContact CD1-CG 3.32Å; I371-E505 WeakPolarHBondContact CD1-OE1 2.99Å; I371-E505 WeakPolarHBondContact CD1-OE2 3.48Å; I371-E505 VanDerWaalsContact CG1-CD 3.47Å; I371-E505 HydrophobicContact CG1-CG 4.26Å; I371-E505 WeakPolarHBondContact CG1-OE1 3.17Å
372R61.6Low64.1Low87 Ų8739.9 Ų39.933%0.32822%0.22SC..G310 helixtrans-93.3-7.6-177.5-62.4-168.5-176.8-161.52.4112.9D242 L369 S370 P374 N510D242-R372 IonicContact OD1-CZ 3.18Å; D242-R372 IonicContact OD1-NH1 2.66Å; D242-R372 IonicContact OD1-NH2 2.79Å; D242-R372 PolarHBondContact OD1-NH2 2.6Å; L369-R372 CarbonylContact O-C 3.58Å; L369-R372 PolarHBondContact O-N 3.03Å; S370-R372 PolarHBondContact O-N 3.23Å; R372-P374 VanDerWaalsContact O-CD 3.25Å; R372-P374 WeakPolarHBondContact O-CD 3.42Å; R372-N510 WeakPolarHBondContact CD-OD1 3.43Å; R372-N510 PolarHBondContact NE-OD1 3.03Å
373Q60.2Low61.6Low39 Ų3944.7 Ų44.718%0.18224%0.241CC..  trans-112.286.8-179.1-73.9-169.66.300109.1L369 S370 D375 G376L369-Q373 HydrophobicContact CB-CG 4.27Å; L369-Q373 PolarHBondContact O-N 3.04Å; S370-Q373 CarbonylContact O-C 3.55Å; S370-Q373 PolarHBondContact O-N 3.37Å; S370-Q373 VanDerWaalsContact O-N 3.16Å; S370-Q373 VanDerWaalsContact O-O 3.14Å; Q373-D375 VanDerWaalsContact C-OD1 3.28Å; Q373-D375 WeakPolarHBondContact CA-OD1 3.32Å; Q373-D375 VanDerWaalsContact CB-OD1 3.32Å; Q373-D375 WeakPolarHBondContact CB-OD1 3.36Å; Q373-D375 PolarHBondContact O-N 2.85Å; Q373-D375 VanDerWaalsContact O-N 3.13Å; Q373-G376 PolarHBondContact O-N 3.35Å
374P49.5Very low59.2Low7 Ų747.5 Ų47.55%0.04525%0.246CC..THydrogen-bonded Turntrans-63-18.5-179.828.6-38.6000113.2L26 S47 L50 N51 R372 G376L26-P374 HydrophobicContact CD2-CG 3.5Å; L26-P374 VanDerWaalsContact CD2-CG 3.5Å; S47-P374 WeakPolarHBondContact O-CB 3.43Å; S47-P374 WeakPolarHBondContact OG-CB 3.35Å; S47-P374 WeakPolarHBondContact OG-CG 2.99Å; L50-P374 CarbonylContact C-O 3.56Å; L50-P374 WeakPolarHBondContact CB-O 3.13Å; N51-P374 WeakPolarHBondContact OD1-CA 3.36Å; N51-P374 WeakPolarHBondContact OD1-CB 3.46Å; R372-P374 VanDerWaalsContact O-CD 3.25Å; R372-P374 WeakPolarHBondContact O-CD 3.42Å; P374-G376 PolarHBondContact O-N 3Å; P374-G376 VanDerWaalsContact O-N 3.16Å
375D52Low56.8Low25 Ų2550.4 Ų50.413%0.13426%0.263CS..THydrogen-bonded Turntrans-64.9-2.1169.741.4-18.4000114.7V19 R25 L26 L50 Q373V19-D375 HydrophobicContact CG1-CB 3.36Å; V19-D375 HydrophobicContact CG2-CB 4.33Å; R25-D375 WeakPolarHBondContact CA-OD2 3.36Å; R25-D375 WeakPolarHBondContact CB-OD2 3.15Å; L26-D375 HydrophobicContact CB-CB 3.96Å; L26-D375 PolarHBondContact N-OD2 3.35Å; L50-D375 HydrophobicContact CD1-CB 4.28Å; Q373-D375 VanDerWaalsContact C-OD1 3.28Å; Q373-D375 WeakPolarHBondContact CA-OD1 3.32Å; Q373-D375 VanDerWaalsContact CB-OD1 3.32Å; Q373-D375 WeakPolarHBondContact CB-OD1 3.36Å; Q373-D375 PolarHBondContact O-N 2.85Å; Q373-D375 VanDerWaalsContact O-N 3.13Å
376G44.5Very low54.6Low26 Ų2654.7 Ų54.727%0.26828%0.282SS..  trans78.197.4166.400000111.8Q373 P374 D378Q373-G376 PolarHBondContact O-N 3.35Å; P374-G376 PolarHBondContact O-N 3Å; P374-G376 VanDerWaalsContact O-N 3.16Å; G376-D378 PolarHBondContact O-N 2.92Å
377G40.9Very low52.3Low15 Ų1560.4 Ų60.416%0.15531%0.305CS..Hα-helixtrans-52.5-36.9146.900000109.8E379 Q380 F381G377-E379 VanDerWaalsContact C-N 3.3Å; G377-E379 PolarHBondContact O-N 3.14Å; G377-E379 VanDerWaalsContact O-N 3.13Å; G377-Q380 PolarHBondContact O-N 3.22Å; G377-F381 WeakPolarHBondContact O-CD2 3.48Å; G377-F381 PolarHBondContact O-N 2.86Å
378D41.9Very low50Low108 Ų10867.2 Ų67.258%0.57833%0.334SS*.Hα-helixtrans-66.9-17.3-171.8-62.6-10.6000115.9G376 F381G376-D378 PolarHBondContact O-N 2.92Å; D378-F381 CarbonylContact O-C 3.49Å
379E39.7Very low47.9Very low92 Ų9272 Ų7243%0.4337%0.367SS..Hα-helixtrans-101.3-10.9177.1-85-174.5-140.100114.6K20 Y53 G377K20-E379 WeakPolarHBondContact CD-OE2 3.39Å; K20-E379 WeakPolarHBondContact CE-OE2 3.33Å; K20-E379 IonicContact NZ-OE1 3.24Å; K20-E379 PolarHBondContact NZ-OE1 2.87Å; K20-E379 IonicContact NZ-OE2 2.68Å; K20-E379 PolarHBondContact NZ-OE2 2.95Å; Y53-E379 WeakPolarHBondContact CD1-OE1 3.45Å; G377-E379 VanDerWaalsContact C-N 3.3Å; G377-E379 PolarHBondContact O-N 3.14Å; G377-E379 VanDerWaalsContact O-N 3.13Å
380Q42.3Very low46.3Very low77 Ų7776.4 Ų76.436%0.3639%0.391SS..Hα-helixtrans-78.7-11.8155.7-78.4-175.23.900111.5G377 Y400G377-Q380 PolarHBondContact O-N 3.22Å; Q380-Y400 HydrophobicContact CB-CD2 4.18Å; Q380-Y400 HydrophobicContact CB-CE2 4.25Å; Q380-Y400 WeakPolarHBondContact O-CD2 3.34Å
381F47.9Very low44.9Very low28 Ų2880 Ų8012%0.12341%0.407CS..  trans-10378.4178.4-77.6-122.7000109.3G377 D378 K383 Y396 Y400 H435G377-F381 WeakPolarHBondContact O-CD2 3.48Å; G377-F381 PolarHBondContact O-N 2.86Å; D378-F381 CarbonylContact O-C 3.49Å; F381-K383 PolarHBondContact O-N 3.13Å; F381-Y396 HydrophobicContact CD1-CD1 4.11Å; F381-Y396 AromaticContact CD1-CE1 3.53Å; F381-Y396 HydrophobicContact CD1-CE1 3.53Å; F381-Y396 AromaticContact CE1-CE1 3.8Å; F381-Y396 HydrophobicContact CE1-CE1 3.8Å; F381-Y396 HydrophobicContact CG-CE1 4.45Å; F381-Y400 AromaticContact CD2-CE2 4Å; F381-Y400 HydrophobicContact CD2-CE2 4Å; F381-Y400 AromaticContact CD2-CZ 3.94Å; F381-Y400 HydrophobicContact CE1-CE1 4.49Å; F381-Y400 HydrophobicContact CE2-CE1 4.3Å; F381-Y400 AromaticContact CE2-CE2 3.81Å; F381-Y400 HydrophobicContact CE2-CE2 3.81Å; F381-Y400 AromaticContact CE2-CZ 3.46Å; F381-Y400 VanDerWaalsContact CE2-CZ 3.46Å; F381-Y400 WeakPolarHBondContact CE2-OH 3.36Å; F381-Y400 HydrophobicContact CZ-CE1 4.23Å; F381-Y400 HydrophobicContact CZ-CE2 4.48Å; F381-Y400 AromaticContact CZ-CZ 3.69Å; F381-Y400 WeakPolarHBondContact CZ-OH 3.23Å; F381-H435 AromaticContact CE1-CE1 3.35Å; F381-H435 WeakPolarHBondContact CE1-CE1 3.31Å; F381-H435 AromaticContact CE1-NE2 3.48Å; F381-H435 WeakPolarHBondContact CE1-NE2 3.32Å; F381-H435 AromaticContact CZ-CE1 3.61Å; F381-H435 AromaticContact CZ-NE2 3.2Å; F381-H435 WeakPolarHBondContact CZ-NE2 3.35Å
382D39.7Very low44Very low96 Ų9685.3 Ų85.351%0.51343%0.425SS..  trans-66.779.1154.2-96.3-15000107.3F384D382-F384 HydrophobicContact CB-CD2 4.33Å; D382-F384 HydrophobicContact CB-CE2 3.87Å; D382-F384 PolarHBondContact O-N 3.15Å
383K44.7Very low43.5Very low106 Ų10685.2 Ų85.246%0.46143%0.43SS..  trans-85.396.3180-176.7177.1179.5156.80107.4F381 D394F381-K383 PolarHBondContact O-N 3.13Å; K383-D394 WeakPolarHBondContact CE-OD1 3.44Å; K383-D394 WeakPolarHBondContact CE-OD2 3.44Å; K383-D394 VanDerWaalsContact NZ-CG 3.27Å; K383-D394 IonicContact NZ-OD1 3.76Å; K383-D394 PolarHBondContact NZ-OD1 2.99Å; K383-D394 IonicContact NZ-OD2 2.8Å; K383-D394 PolarHBondContact NZ-OD2 3.49Å
384F39.9Very low43.1Very low116 Ų11686.3 Ų86.351%0.50944%0.437SS..EExtended strand (participates in β ladder)trans-90.9115.3168.4-67.7-84.2000108.7D382 H386 V395D382-F384 HydrophobicContact CB-CD2 4.33Å; D382-F384 HydrophobicContact CB-CE2 3.87Å; D382-F384 PolarHBondContact O-N 3.15Å; F384-H386 PolarHBondContact O-N 3.35Å; F384-V395 PolarHBondContact N-O 3.25Å; F384-V395 PolarHBondContact O-N 3.04Å
385T41Very low43.4Very low74 Ų7489 Ų8945%0.45445%0.453SS..EExtended strand (participates in β ladder)trans-79.6104.8168.352.20000108D394T385-D394 WeakPolarHBondContact CG2-OD1 3.37Å
386H40.2Very low44Very low101 Ų10189.6 Ų89.647%0.46845%0.454SS..EExtended strand (participates in β ladder)trans-98.6128.8172.4-76-73.9000109.7F384 K388 I393 V395F384-H386 PolarHBondContact O-N 3.35Å; H386-K388 PolarHBondContact O-N 3.34Å; H386-I393 PolarHBondContact N-O 3.38Å; H386-I393 PolarHBondContact O-N 3.18Å; H386-V395 HydrophobicContact CB-CG2 4.35Å
387K35.2Very low45.2Very low127 Ų12790.6 Ų90.655%0.55246%0.456SS*.EExtended strand (participates in β ladder)trans-77.3108.8168.2-165.4178.3-178.1-1730107.5D390K387-D390 IonicContact NZ-OD1 3.89Å; K387-D390 PolarHBondContact NZ-OD1 3.12Å
388K34.8Very low46.8Very low149 Ų14998.3 Ų98.365%0.64849%0.488SS*.EExtended strand (participates in β ladder)trans-118.1113.2163.2-88.9-175.1173.2-179.60105.8H386 N391 I393H386-K388 PolarHBondContact O-N 3.34Å; K388-N391 PolarHBondContact N-O 2.94Å; K388-N391 VanDerWaalsContact O-O 3.07Å; K388-I393 HydrophobicContact CB-CD1 4.06Å
389S38.3Very low48.3Very low106 Ų106100.1 Ų100.174%0.74149%0.494SS*.THydrogen-bonded Turntrans48.486.817756.50000114.7N391S389-N391 PolarHBondContact O-N 2.75Å
390D46.2Very low49.9Very low135 Ų13596.4 Ų96.472%0.72248%0.476SS*.THydrogen-bonded Turntrans44.4-1.3-179.6-70.6-23.5000119.4K387K387-D390 IonicContact NZ-OD1 3.89Å; K387-D390 PolarHBondContact NZ-OD1 3.12Å
391N38.9Very low51.7Low112 Ų11295 Ų9560%0.59948%0.475SS*.EExtended strand (participates in β ladder)trans-114.1135.4179.1-73.3-25.2000108.9K388 S389K388-N391 PolarHBondContact N-O 2.94Å; K388-N391 VanDerWaalsContact O-O 3.07Å; S389-N391 PolarHBondContact O-N 2.75Å
392Y45Very low53.5Low166 Ų16696.2 Ų96.265%0.65149%0.486SS*.EExtended strand (participates in β ladder)trans-85.6117.9170.8-76.1-92.7000108.1
393I50.2Low55.7Low85 Ų8597.1 Ų97.144%0.43648%0.483SS..EExtended strand (participates in β ladder)trans-103.2127.1174.5-56.3177.5000107.8H386 K388 V395H386-I393 PolarHBondContact N-O 3.38Å; H386-I393 PolarHBondContact O-N 3.18Å; K388-I393 HydrophobicContact CB-CD1 4.06Å; I393-V395 HydrophobicContact CG2-CG2 4.45Å; I393-V395 PolarHBondContact O-N 2.73Å
394D51.7Low57.8Low62 Ų6292.4 Ų92.433%0.33246%0.462SS..EExtended strand (participates in β ladder)trans-77.8114.4171.3-68.3-27.3000108.7K383 T385 Y396K383-D394 WeakPolarHBondContact CE-OD1 3.44Å; K383-D394 WeakPolarHBondContact CE-OD2 3.44Å; K383-D394 VanDerWaalsContact NZ-CG 3.27Å; K383-D394 IonicContact NZ-OD1 3.76Å; K383-D394 PolarHBondContact NZ-OD1 2.99Å; K383-D394 IonicContact NZ-OD2 2.8Å; K383-D394 PolarHBondContact NZ-OD2 3.49Å; T385-D394 WeakPolarHBondContact CG2-OD1 3.37Å; D394-Y396 HydrophobicContact CB-CE2 4.44Å
395V56.7Low60.3Low63 Ų6393.4 Ų93.438%0.38247%0.466SS..EExtended strand (participates in β ladder)trans-102.1119.8175.5-176.20000108.1F384 H386 I393F384-V395 PolarHBondContact N-O 3.25Å; F384-V395 PolarHBondContact O-N 3.04Å; H386-V395 HydrophobicContact CB-CG2 4.35Å; I393-V395 HydrophobicContact CG2-CG2 4.45Å; I393-V395 PolarHBondContact O-N 2.73Å
396Y65.2Low62.8Low38 Ų3898.7 Ų98.715%0.14948%0.478CS..PPolyproline II helixtrans-95.2162.5173-56.7-73.5000110.4F381 D394 Y400 H435F381-Y396 HydrophobicContact CD1-CD1 4.11Å; F381-Y396 AromaticContact CD1-CE1 3.53Å; F381-Y396 HydrophobicContact CD1-CE1 3.53Å; F381-Y396 AromaticContact CE1-CE1 3.8Å; F381-Y396 HydrophobicContact CE1-CE1 3.8Å; F381-Y396 HydrophobicContact CG-CE1 4.45Å; D394-Y396 HydrophobicContact CB-CE2 4.44Å; Y396-Y400 AromaticContact CD1-CD1 4Å; Y396-Y400 HydrophobicContact CD1-CD1 4Å; Y396-Y400 HydrophobicContact CD1-CE1 4.19Å; Y396-Y400 AromaticContact CG-CD1 3.92Å; Y396-Y400 HydrophobicContact CG-CD1 3.92Å; Y396-Y400 HydrophobicContact CG-CE1 4.37Å; Y396-H435 AromaticContact CZ-CE1 3.64Å; Y396-H435 PolarHBondContact OH-CE1 3.01Å
397S68.3Low65.3Low46 Ų4695 Ų9532%0.32246%0.462SS..PPolyproline II helixtrans-58.3149170.370.50000111E399 Y400 S401S397-E399 PolarHBondContact O-N 3.27Å; S397-Y400 PolarHBondContact O-N 3.44Å; S397-Y400 VanDerWaalsContact OG-CB 3.29Å; S397-Y400 WeakPolarHBondContact OG-CB 3.19Å; S397-Y400 PolarHBondContact OG-N 3.46Å; S397-S401 PolarHBondContact O-N 3.45Å; S397-S401 PolarHBondContact O-OG 2.95Å
398E74.9Confident68.2Low177 Ų17789.7 Ų89.783%0.82744%0.44SS*.Hα-helixtrans-57.9-38.1178.7-69.3-178.4173.800111.8S401 S402E398-S401 PolarHBondContact O-N 3.16Å; E398-S402 VanDerWaalsContact O-CB 3.25Å; E398-S402 WeakPolarHBondContact O-CB 3.48Å; E398-S402 PolarHBondContact O-N 3.09Å
399E72.7Confident71.2Confident147 Ų14786.4 Ų86.469%0.68743%0.43SS*.Hα-helixtrans-63.1-46176.6-174.3178.6-177.400111.8S397 S402 R403S397-E399 PolarHBondContact O-N 3.27Å; E399-S402 PolarHBondContact O-N 3.23Å; E399-R403 PolarHBondContact O-N 3.28Å
400Y73.4Confident74Confident14 Ų1484.5 Ų84.56%0.05541%0.411CS..Hα-helixtrans-64.7-44.5178.1-172.3-93.9000111.4Q380 F381 Y396 S397 S402 R403 L404 H435Q380-Y400 HydrophobicContact CB-CD2 4.18Å; Q380-Y400 HydrophobicContact CB-CE2 4.25Å; Q380-Y400 WeakPolarHBondContact O-CD2 3.34Å; F381-Y400 AromaticContact CD2-CE2 4Å; F381-Y400 HydrophobicContact CD2-CE2 4Å; F381-Y400 AromaticContact CD2-CZ 3.94Å; F381-Y400 HydrophobicContact CE1-CE1 4.49Å; F381-Y400 HydrophobicContact CE2-CE1 4.3Å; F381-Y400 AromaticContact CE2-CE2 3.81Å; F381-Y400 HydrophobicContact CE2-CE2 3.81Å; F381-Y400 AromaticContact CE2-CZ 3.46Å; F381-Y400 VanDerWaalsContact CE2-CZ 3.46Å; F381-Y400 WeakPolarHBondContact CE2-OH 3.36Å; F381-Y400 HydrophobicContact CZ-CE1 4.23Å; F381-Y400 HydrophobicContact CZ-CE2 4.48Å; F381-Y400 AromaticContact CZ-CZ 3.69Å; F381-Y400 WeakPolarHBondContact CZ-OH 3.23Å; Y396-Y400 AromaticContact CD1-CD1 4Å; Y396-Y400 HydrophobicContact CD1-CD1 4Å; Y396-Y400 HydrophobicContact CD1-CE1 4.19Å; Y396-Y400 AromaticContact CG-CD1 3.92Å; Y396-Y400 HydrophobicContact CG-CD1 3.92Å; Y396-Y400 HydrophobicContact CG-CE1 4.37Å; S397-Y400 PolarHBondContact O-N 3.44Å; S397-Y400 VanDerWaalsContact OG-CB 3.29Å; S397-Y400 WeakPolarHBondContact OG-CB 3.19Å; S397-Y400 PolarHBondContact OG-N 3.46Å; Y400-S402 VanDerWaalsContact C-N 3.33Å; Y400-S402 PolarHBondContact O-N 3.1Å; Y400-R403 WeakPolarHBondContact O-CB 3.42Å; Y400-R403 PolarHBondContact O-N 3.46Å; Y400-L404 WeakPolarHBondContact O-CB 2.91Å; Y400-L404 PolarHBondContact O-N 3.32Å; Y400-H435 AromaticContact CE1-NE2 3.52Å; Y400-H435 AromaticContact CZ-NE2 3.6Å; Y400-H435 PolarHBondContact OH-NE2 3.49Å
401S81.6Confident76.5Confident48 Ų4878.1 Ų78.134%0.33638%0.377SS..Hα-helixtrans-61.1-41.4176.9-55.90000111.7S397 E398 L404 K405S397-S401 PolarHBondContact O-N 3.45Å; S397-S401 PolarHBondContact O-OG 2.95Å; E398-S401 PolarHBondContact O-N 3.16Å; S401-L404 PolarHBondContact O-N 3.13Å; S401-K405 WeakPolarHBondContact O-CB 3.29Å; S401-K405 PolarHBondContact O-N 2.85Å
402S84.9Confident79.3Confident53 Ų5372.9 Ų72.937%0.37135%0.349SS..Hα-helixtrans-63.4-43.2175.2-176.70000112E398 E399 Y400 K405 R406E398-S402 VanDerWaalsContact O-CB 3.25Å; E398-S402 WeakPolarHBondContact O-CB 3.48Å; E398-S402 PolarHBondContact O-N 3.09Å; E399-S402 PolarHBondContact O-N 3.23Å; Y400-S402 VanDerWaalsContact C-N 3.33Å; Y400-S402 PolarHBondContact O-N 3.1Å; S402-K405 PolarHBondContact O-N 3.35Å; S402-R406 WeakPolarHBondContact O-CG 3.08Å; S402-R406 PolarHBondContact O-N 2.98Å
403R85Confident81.8Confident115 Ų11570 Ų7043%0.43434%0.343SS..Hα-helixtrans-62.2-45.4174179.9-176.5171.71104.5111.6E399 Y400 K405 R406 L407E399-R403 PolarHBondContact O-N 3.28Å; Y400-R403 WeakPolarHBondContact O-CB 3.42Å; Y400-R403 PolarHBondContact O-N 3.46Å; R403-K405 VanDerWaalsContact C-N 3.32Å; R403-K405 PolarHBondContact O-N 3.22Å; R403-R406 PolarHBondContact O-N 2.88Å; R403-L407 HydrophobicContact CG-CD1 4.15Å; R403-L407 WeakPolarHBondContact O-CG 3.37Å; R403-L407 PolarHBondContact O-N 3.4Å
404L89Confident84.2Confident6 Ų666.3 Ų66.33%0.03132%0.324CS..Hα-helixtrans-58.5-46.1179-17165.1000110.8Y400 S401 R406 L407 S408 H435 E437 E438Y400-L404 WeakPolarHBondContact O-CB 2.91Å; Y400-L404 PolarHBondContact O-N 3.32Å; S401-L404 PolarHBondContact O-N 3.13Å; L404-R406 PolarHBondContact O-N 3.26Å; L404-L407 PolarHBondContact O-N 2.84Å; L404-S408 PolarHBondContact O-N 3.11Å; L404-S408 PolarHBondContact O-OG 3.32Å; L404-H435 HydrophobicContact CD1-CB 3.96Å; L404-H435 HydrophobicContact CD2-CB 4.19Å; L404-E437 HydrophobicContact CD2-CB 3.99Å; L404-E437 HydrophobicContact CD2-CG 4.05Å; L404-E437 HydrophobicContact CG-CB 4.11Å; L404-E438 HydrophobicContact CD1-CG 3.58Å; L404-E438 WeakPolarHBondContact CD1-OE2 3.49Å
405K93.1Very high86.4Confident138 Ų13863.3 Ų63.360%0.631%0.308SS*.Hα-helixtrans-62.1-39.8175.9-173.3173.6-177.31760113.3S401 S402 R403 L407 S408 N409S401-K405 WeakPolarHBondContact O-CB 3.29Å; S401-K405 PolarHBondContact O-N 2.85Å; S402-K405 PolarHBondContact O-N 3.35Å; R403-K405 VanDerWaalsContact C-N 3.32Å; R403-K405 PolarHBondContact O-N 3.22Å; K405-L407 VanDerWaalsContact C-N 3.34Å; K405-S408 WeakPolarHBondContact CA-OG 3.22Å; K405-S408 PolarHBondContact O-OG 3.44Å; K405-N409 WeakPolarHBondContact O-CB 3.13Å; K405-N409 PolarHBondContact O-N 3.01Å; K405-N409 PolarHBondContact O-OD1 3.44Å
406R92.7Very high88.4Confident184 Ų18463.3 Ų63.369%0.69430%0.303SS*.Hα-helixtrans-63.9-40.7175.7-72.2173.6-173.2178.31.7111.6S402 R403 L404 L410S402-R406 WeakPolarHBondContact O-CG 3.08Å; S402-R406 PolarHBondContact O-N 2.98Å; R403-R406 PolarHBondContact O-N 2.88Å; L404-R406 PolarHBondContact O-N 3.26Å; R406-L410 WeakPolarHBondContact O-CB 3.39Å; R406-L410 PolarHBondContact O-N 3.37Å; R406-L410 VanDerWaalsContact O-N 3.08Å
407L94Very high89.9Confident24 Ų2462.2 Ų62.213%0.12630%0.299CS..Hα-helixtrans-67.2-46.8177.9-71.5168.4000111.5R403 L404 K405 N409 L410 Q411R403-L407 HydrophobicContact CG-CD1 4.15Å; R403-L407 WeakPolarHBondContact O-CG 3.37Å; R403-L407 PolarHBondContact O-N 3.4Å; L404-L407 PolarHBondContact O-N 2.84Å; K405-L407 VanDerWaalsContact C-N 3.34Å; L407-N409 VanDerWaalsContact C-N 3.34Å; L407-N409 PolarHBondContact O-N 3.45Å; L407-L410 PolarHBondContact O-N 3.46Å; L407-Q411 VanDerWaalsContact O-CD 3.31Å; L407-Q411 WeakPolarHBondContact O-CG 3.19Å; L407-Q411 PolarHBondContact O-N 2.97Å
408S96.2Very high91.4Very high15 Ų1560 Ų6011%0.10528%0.284CS..Hα-helixtrans-60.7-42177.164.80000112.1L404 K405 L410 Q411 A412 E437L404-S408 PolarHBondContact O-N 3.11Å; L404-S408 PolarHBondContact O-OG 3.32Å; K405-S408 WeakPolarHBondContact CA-OG 3.22Å; K405-S408 PolarHBondContact O-OG 3.44Å; S408-L410 PolarHBondContact O-N 3.15Å; S408-Q411 WeakPolarHBondContact O-CB 3.08Å; S408-Q411 PolarHBondContact O-N 2.86Å; S408-A412 PolarHBondContact O-N 3.06Å; S408-E437 WeakPolarHBondContact CB-O 3.49Å
409N97.3Very high92.5Very high81 Ų8152.7 Ų52.743%0.43325%0.249SC..Hα-helixtrans-62.5-43.7176.3-72-3.3000111.8K405 L407 Q411 A412 M413K405-N409 WeakPolarHBondContact O-CB 3.13Å; K405-N409 PolarHBondContact O-N 3.01Å; K405-N409 PolarHBondContact O-OD1 3.44Å; L407-N409 VanDerWaalsContact C-N 3.34Å; L407-N409 PolarHBondContact O-N 3.45Å; N409-Q411 VanDerWaalsContact C-N 3.34Å; N409-A412 PolarHBondContact O-N 3.28Å; N409-M413 WeakPolarHBondContact O-CG 3.04Å; N409-M413 PolarHBondContact O-N 2.85Å
410L97.1Very high93.7Very high65 Ų6550.4 Ų50.434%0.3424%0.237SC..Hα-helixtrans-61.7-43.7175.5177.463.2000111.2L343 R406 L407 S408 A412 M413 L414L343-L410 HydrophobicContact CD1-CD1 4.38Å; R406-L410 WeakPolarHBondContact O-CB 3.39Å; R406-L410 PolarHBondContact O-N 3.37Å; R406-L410 VanDerWaalsContact O-N 3.08Å; L407-L410 PolarHBondContact O-N 3.46Å; S408-L410 PolarHBondContact O-N 3.15Å; L410-A412 PolarHBondContact O-N 2.93Å; L410-M413 PolarHBondContact O-N 3.44Å; L410-L414 HydrophobicContact CD1-CD1 4.26Å; L410-L414 HydrophobicContact CD1-CG 4.26Å; L410-L414 HydrophobicContact CG-CD1 3.99Å; L410-L414 HydrophobicContact CG-CG 4.43Å; L410-L414 VanDerWaalsContact O-CG 3.26Å; L410-L414 WeakPolarHBondContact O-CG 3.48Å; L410-L414 PolarHBondContact O-N 3.45Å
411Q98.4Very high94.8Very high1 Ų149.9 Ų49.91%0.00524%0.235CC..Hα-helixtrans-59.1-45.5177.3-69.6158.18.900111.5P362 S363 L407 S408 N409 L414 L415 Y429 E438 V442P362-Q411 HydrophobicContact CB-CG 4.29Å; P362-Q411 HydrophobicContact CG-CB 4.45Å; P362-Q411 HydrophobicContact CG-CG 3.72Å; S363-Q411 PolarHBondContact O-NE2 2.79Å; L407-Q411 VanDerWaalsContact O-CD 3.31Å; L407-Q411 WeakPolarHBondContact O-CG 3.19Å; L407-Q411 PolarHBondContact O-N 2.97Å; S408-Q411 WeakPolarHBondContact O-CB 3.08Å; S408-Q411 PolarHBondContact O-N 2.86Å; N409-Q411 VanDerWaalsContact C-N 3.34Å; Q411-L414 PolarHBondContact O-N 3.19Å; Q411-L415 PolarHBondContact O-N 3.32Å; Q411-Y429 HydrophobicContact CB-CE2 4.31Å; Q411-Y429 WeakPolarHBondContact CB-OH 3.47Å; Q411-Y429 PolarHBondContact OE1-OH 3.2Å; Q411-E438 PolarHBondContact NE2-OE1 3.03Å; Q411-E438 VanDerWaalsContact OE1-CA 3.24Å; Q411-E438 VanDerWaalsContact OE1-CB 3.26Å; Q411-E438 PolarHBondContact OE1-O 3Å; Q411-V442 HydrophobicContact CB-CG1 4.22Å; Q411-V442 HydrophobicContact CB-CG2 4.2Å
412A98.3Very high95.6Very high2 Ų250.2 Ų50.22%0.01724%0.236CC..Hα-helixtrans-62-43.1174.600000112.2S408 N409 L410 L414 L415 K416 V442 I446S408-A412 PolarHBondContact O-N 3.06Å; N409-A412 PolarHBondContact O-N 3.28Å; L410-A412 PolarHBondContact O-N 2.93Å; A412-L414 PolarHBondContact O-N 2.98Å; A412-L415 PolarHBondContact O-N 3.34Å; A412-K416 WeakPolarHBondContact O-CG 2.87Å; A412-K416 PolarHBondContact O-N 2.95Å; A412-V442 HydrophobicContact CB-CG1 4.37Å; A412-I446 HydrophobicContact CB-CD1 4.43Å; A412-I446 WeakPolarHBondContact O-CD1 3.42Å
413M98.2Very high96.2Very high105 Ų10551.1 Ų51.152%0.51724%0.237SC..Hα-helixtrans-60.5-44.1176-72.4175.465.600112.4L343 N409 L410 K416 H417L343-M413 HydrophobicContact CD1-CB 4.42Å; L343-M413 HydrophobicContact CD1-CE 3.86Å; L343-M413 HydrophobicContact CD2-CB 4.37Å; N409-M413 WeakPolarHBondContact O-CG 3.04Å; N409-M413 PolarHBondContact O-N 2.85Å; L410-M413 PolarHBondContact O-N 3.44Å; M413-K416 PolarHBondContact O-N 3.33Å; M413-H417 WeakPolarHBondContact O-CB 3.07Å; M413-H417 PolarHBondContact O-N 2.9Å
414L98.5Very high96.8Very high8 Ų845.7 Ų45.74%0.04222%0.216CC..Hα-helixtrans-63.6-42.4177.9-67166.5000111.2F342 L343 L360 P362 L410 Q411 A412 H417 A418F342-L414 HydrophobicContact CB-CD2 3.96Å; F342-L414 HydrophobicContact CD1-CB 4.39Å; F342-L414 HydrophobicContact CD1-CD2 3.71Å; F342-L414 WeakPolarHBondContact CE1-O 3.02Å; F342-L414 HydrophobicContact CG-CD2 4.33Å; L343-L414 HydrophobicContact CD1-CD2 4.47Å; L343-L414 HydrophobicContact CD2-CD2 3.9Å; L343-L414 HydrophobicContact CD2-CG 4.47Å; L343-L414 HydrophobicContact CG-CD2 3.81Å; L360-L414 HydrophobicContact CD1-CB 4.06Å; L360-L414 HydrophobicContact CD1-CD1 4.46Å; L360-L414 HydrophobicContact CD2-CB 3.89Å; P362-L414 HydrophobicContact CB-CD1 3.73Å; L410-L414 HydrophobicContact CD1-CD1 4.26Å; L410-L414 HydrophobicContact CD1-CG 4.26Å; L410-L414 HydrophobicContact CG-CD1 3.99Å; L410-L414 HydrophobicContact CG-CG 4.43Å; L410-L414 VanDerWaalsContact O-CG 3.26Å; L410-L414 WeakPolarHBondContact O-CG 3.48Å; L410-L414 PolarHBondContact O-N 3.45Å; Q411-L414 PolarHBondContact O-N 3.19Å; A412-L414 PolarHBondContact O-N 2.98Å; L414-H417 WeakPolarHBondContact O-CB 3.2Å; L414-H417 PolarHBondContact O-N 3.07Å; L414-A418 PolarHBondContact O-N 3.44Å
415L98.3Very high97.2Very high0 Ų048.8 Ų48.80%023%0.231CC..Hα-helixtrans-63.2-49.6175.1-82.6167.7000112L360 Q411 A412 H417 A418 F419 V427 Y429 V442 I446L360-L415 HydrophobicContact CD2-CB 4.31Å; L360-L415 HydrophobicContact CD2-CD2 3.58Å; L360-L415 HydrophobicContact CD2-CG 3.56Å; Q411-L415 PolarHBondContact O-N 3.32Å; A412-L415 PolarHBondContact O-N 3.34Å; L415-H417 PolarHBondContact O-N 2.84Å; L415-H417 VanDerWaalsContact O-N 3.16Å; L415-A418 WeakPolarHBondContact O-CB 3.36Å; L415-A418 PolarHBondContact O-N 3.35Å; L415-F419 HydrophobicContact CB-CE2 4.43Å; L415-F419 HydrophobicContact CD2-CE2 4.1Å; L415-F419 WeakPolarHBondContact O-CD2 3.26Å; L415-F419 PolarHBondContact O-N 3.48Å; L415-F419 VanDerWaalsContact O-N 3.11Å; L415-V427 HydrophobicContact CD2-CG1 4.14Å; L415-Y429 HydrophobicContact CD1-CD1 4.28Å; L415-Y429 HydrophobicContact CD1-CD2 3.67Å; L415-Y429 HydrophobicContact CD1-CE2 3.96Å; L415-Y429 HydrophobicContact CD1-CG 3.83Å; L415-Y429 HydrophobicContact CD2-CD2 4.13Å; L415-Y429 HydrophobicContact CD2-CG 4.3Å; L415-Y429 HydrophobicContact CG-CD2 4.05Å; L415-Y429 HydrophobicContact CG-CG 4.48Å; L415-V442 HydrophobicContact CD1-CG1 3.56Å; L415-I446 HydrophobicContact CB-CD1 3.63Å; L415-I446 HydrophobicContact CB-CG1 3.71Å; L415-I446 HydrophobicContact CB-CG2 4.21Å; L415-I446 HydrophobicContact CD1-CB 4.43Å; L415-I446 HydrophobicContact CD1-CG1 3.73Å; L415-I446 HydrophobicContact CD1-CG2 4.45Å; L415-I446 HydrophobicContact CG-CG1 4.34Å
416K98.5Very high97.5Very high63 Ų6344.8 Ų44.827%0.27421%0.212SC..Hα-helixtrans-53.8-37.8175.5-71.6177.2-174.4170.50111.6A412 M413 E445 I446 Y449A412-K416 WeakPolarHBondContact O-CG 2.87Å; A412-K416 PolarHBondContact O-N 2.95Å; M413-K416 PolarHBondContact O-N 3.33Å; K416-E445 VanDerWaalsContact CE-OE1 3.23Å; K416-E445 WeakPolarHBondContact CE-OE1 3.35Å; K416-E445 IonicContact NZ-OE1 3.36Å; K416-E445 PolarHBondContact NZ-OE1 3.43Å; K416-I446 HydrophobicContact CD-CD1 4.47Å; K416-I446 HydrophobicContact CG-CD1 3.58Å; K416-Y449 HydrophobicContact CB-CD1 4.46Å; K416-Y449 HydrophobicContact CB-CE1 4.02Å; K416-Y449 HydrophobicContact CG-CD1 3.79Å; K416-Y449 HydrophobicContact CG-CE1 3.78Å; K416-Y449 HydrophobicContact CG-CG 4.3Å
417H98.5Very high97.7Very high15 Ų1536 Ų367%0.06918%0.179CC..Hα-helixtrans-68.6-43.6175.5-171.284.5000112.7F342 L343 I345 M413 L414 L415 F419 K420 F421F342-H417 AromaticContact CD1-CD2 3.97Å; F342-H417 HydrophobicContact CE1-CB 4.32Å; F342-H417 AromaticContact CE1-CD2 3.65Å; F342-H417 AromaticContact CE2-CD2 3.91Å; F342-H417 AromaticContact CZ-CD2 3.62Å; F342-H417 PolarHBondContact O-CD2 3.19Å; F342-H417 PolarHBondContact O-NE2 3.24Å; L343-H417 HydrophobicContact CD2-CB 3.67Å; I345-H417 PolarHBondContact O-CE1 3.45Å; I345-H417 PolarHBondContact O-NE2 2.94Å; M413-H417 WeakPolarHBondContact O-CB 3.07Å; M413-H417 PolarHBondContact O-N 2.9Å; L414-H417 WeakPolarHBondContact O-CB 3.2Å; L414-H417 PolarHBondContact O-N 3.07Å; L415-H417 PolarHBondContact O-N 2.84Å; L415-H417 VanDerWaalsContact O-N 3.16Å; H417-F419 VanDerWaalsContact C-N 3.26Å; H417-F419 PolarHBondContact O-N 3.02Å; H417-K420 WeakPolarHBondContact O-CB 3.31Å; H417-K420 PolarHBondContact O-N 3.31Å; H417-F421 AromaticContact NE2-CE2 3.99Å
418A98.5Very high98Very high0 Ų034.9 Ų34.90%017%0.173CC..Hα-helixtrans-56.7-38.4176.300000112.8F342 I358 L414 L415 K420 F421 V427F342-A418 HydrophobicContact CE1-CB 4.06Å; F342-A418 HydrophobicContact CZ-CB 4.09Å; I358-A418 HydrophobicContact CD1-CB 4Å; I358-A418 WeakPolarHBondContact CD1-O 3.3Å; I358-A418 HydrophobicContact CG2-CB 4.14Å; L414-A418 PolarHBondContact O-N 3.44Å; L415-A418 WeakPolarHBondContact O-CB 3.36Å; L415-A418 PolarHBondContact O-N 3.35Å; A418-K420 PolarHBondContact O-N 3.2Å; A418-F421 WeakPolarHBondContact O-CD2 3.46Å; A418-F421 PolarHBondContact O-N 2.84Å; A418-V427 HydrophobicContact CB-CG1 4.38Å
419F98.2Very high98.1Very high22 Ų2234.1 Ų34.110%0.09617%0.168CC..THydrogen-bonded Turntrans-74.7-4.9178.1-69.6-71.8000115L415 H417 F421 V427 I446 V450 F454 F517L415-F419 HydrophobicContact CB-CE2 4.43Å; L415-F419 HydrophobicContact CD2-CE2 4.1Å; L415-F419 WeakPolarHBondContact O-CD2 3.26Å; L415-F419 PolarHBondContact O-N 3.48Å; L415-F419 VanDerWaalsContact O-N 3.11Å; H417-F419 VanDerWaalsContact C-N 3.26Å; H417-F419 PolarHBondContact O-N 3.02Å; F419-F421 VanDerWaalsContact C-N 3.34Å; F419-V427 HydrophobicContact CD1-CG2 4.08Å; F419-V427 HydrophobicContact CE1-CB 3.98Å; F419-V427 HydrophobicContact CE1-CG2 3.63Å; F419-V427 HydrophobicContact CZ-CB 3.89Å; F419-V427 HydrophobicContact CZ-CG1 4.15Å; F419-V427 HydrophobicContact CZ-CG2 3.99Å; F419-I446 HydrophobicContact CD2-CG2 4.01Å; F419-I446 HydrophobicContact CE2-CG2 3.38Å; F419-I446 HydrophobicContact CZ-CG2 4.18Å; F419-V450 HydrophobicContact CB-CG1 3.94Å; F419-V450 HydrophobicContact CD1-CG1 4.06Å; F419-V450 HydrophobicContact CD2-CG1 3.72Å; F419-V450 HydrophobicContact CE1-CG2 4.42Å; F419-V450 HydrophobicContact CE2-CG1 4.28Å; F419-V450 HydrophobicContact CG-CG1 3.63Å; F419-V450 HydrophobicContact CZ-CG2 4.43Å; F419-F454 HydrophobicContact CD1-CD1 4.03Å; F419-F454 AromaticContact CD1-CD2 3.7Å; F419-F454 HydrophobicContact CD1-CD2 3.7Å; F419-F454 AromaticContact CD1-CE1 3.99Å; F419-F454 HydrophobicContact CD1-CE1 3.99Å; F419-F454 AromaticContact CD1-CE2 3.67Å; F419-F454 HydrophobicContact CD1-CE2 3.67Å; F419-F454 AromaticContact CD1-CG 3.93Å; F419-F454 HydrophobicContact CD1-CG 3.93Å; F419-F454 AromaticContact CD1-CZ 3.84Å; F419-F454 HydrophobicContact CD1-CZ 3.84Å; F419-F454 HydrophobicContact CE1-CB 4.32Å; F419-F454 AromaticContact CE1-CD1 3.67Å; F419-F454 HydrophobicContact CE1-CD1 3.67Å; F419-F454 HydrophobicContact CE1-CD2 4.01Å; F419-F454 AromaticContact CE1-CE1 3.96Å; F419-F454 HydrophobicContact CE1-CE1 3.96Å; F419-F454 HydrophobicContact CE1-CE2 4.29Å; F419-F454 AromaticContact CE1-CG 3.74Å; F419-F454 HydrophobicContact CE1-CG 3.74Å; F419-F454 HydrophobicContact CE1-CZ 4.29Å; F419-F517 HydrophobicContact CE1-CB 3.83Å; F419-F517 HydrophobicContact CE1-CG 4.25Å; F419-F517 HydrophobicContact CZ-CB 3.63Å; F419-F517 HydrophobicContact CZ-CD1 4.13Å; F419-F517 AromaticContact CZ-CD2 3.81Å; F419-F517 HydrophobicContact CZ-CD2 3.81Å; F419-F517 HydrophobicContact CZ-CE2 4.47Å; F419-F517 AromaticContact CZ-CG 3.59Å; F419-F517 HydrophobicContact CZ-CG 3.59Å
420K97.6Very high98.1Very high99 Ų9930.3 Ų30.343%0.4315%0.147SC..THydrogen-bonded Turntrans-80.5-14.2173.7-67.5177.6-178.5-175.30113.2P347 H417 A418P347-K420 HydrophobicContact CB-CB 3.95Å; P347-K420 HydrophobicContact CG-CB 3.7Å; H417-K420 WeakPolarHBondContact O-CB 3.31Å; H417-K420 PolarHBondContact O-N 3.31Å; A418-K420 PolarHBondContact O-N 3.2Å
421F98Very high98.1Very high4 Ų427.2 Ų27.22%0.01813%0.131CC..SBendtrans-67.6121.8178-76.5-103.4000109.7L261 F342 I345 P347 F352 V355 I358 H417 A418 F419 N423 V424L261-F421 HydrophobicContact CD1-CE1 3.77Å; L261-F421 HydrophobicContact CD1-CZ 3.68Å; F342-F421 AromaticContact CE2-CE2 3.9Å; F342-F421 HydrophobicContact CE2-CE2 3.9Å; F342-F421 HydrophobicContact CE2-CZ 4.06Å; F342-F421 AromaticContact CZ-CE2 3.9Å; F342-F421 HydrophobicContact CZ-CE2 3.9Å; F342-F421 HydrophobicContact CZ-CZ 4.5Å; I345-F421 HydrophobicContact CG2-CZ 3.99Å; P347-F421 HydrophobicContact CB-CB 4.46Å; P347-F421 HydrophobicContact CB-CD1 4.18Å; P347-F421 HydrophobicContact CB-CD2 3.72Å; P347-F421 HydrophobicContact CB-CE1 4.34Å; P347-F421 HydrophobicContact CB-CE2 3.88Å; P347-F421 HydrophobicContact CB-CG 3.87Å; P347-F421 HydrophobicContact CB-CZ 4.19Å; P347-F421 HydrophobicContact CG-CD2 4.14Å; P347-F421 HydrophobicContact CG-CE2 3.94Å; P347-F421 HydrophobicContact CG-CZ 4.41Å; F352-F421 HydrophobicContact CB-CD1 3.91Å; F352-F421 HydrophobicContact CB-CE1 3.66Å; F352-F421 HydrophobicContact CD1-CE1 4.32Å; F352-F421 HydrophobicContact CD2-CE1 4.14Å; F352-F421 AromaticContact CG-CE1 3.79Å; F352-F421 HydrophobicContact CG-CE1 3.79Å; V355-F421 HydrophobicContact CG1-CD1 4.5Å; I358-F421 HydrophobicContact CD1-CB 4.18Å; I358-F421 HydrophobicContact CD1-CD2 3.8Å; I358-F421 HydrophobicContact CD1-CE2 4.38Å; I358-F421 HydrophobicContact CD1-CG 3.95Å; H417-F421 AromaticContact NE2-CE2 3.99Å; A418-F421 WeakPolarHBondContact O-CD2 3.46Å; A418-F421 PolarHBondContact O-N 2.84Å; F419-F421 VanDerWaalsContact C-N 3.34Å; F421-N423 VanDerWaalsContact C-N 3.33Å; F421-N423 PolarHBondContact O-N 3.37Å; F421-V424 HydrophobicContact CB-CB 4.09Å; F421-V424 HydrophobicContact CB-CG1 4.32Å; F421-V424 WeakPolarHBondContact O-CG1 3.49Å; F421-V424 PolarHBondContact O-N 2.96Å
422P96.7Very high97.9Very high54 Ų5428.5 Ų28.535%0.35114%0.14SC..THydrogen-bonded Turntrans-64.9-34.4-164.222.1-33.2000113.9P347 Y348 K519P347-P422 VanDerWaalsContact O-CD 3.25Å; P347-P422 WeakPolarHBondContact O-CD 3.43Å; Y348-P422 HydrophobicContact CD1-CG 4.49Å; P422-K519 PolarHBondContact O-NZ 2.99Å
423N97.3Very high97.5Very high73 Ų7328.4 Ų28.439%0.3914%0.139SC..THydrogen-bonded Turntrans-102.85.2-174-67.1-34.8000113.9S353 V355 F421 Q425S353-N423 WeakPolarHBondContact O-CB 3.43Å; S353-N423 PolarHBondContact O-ND2 3.42Å; V355-N423 CarbonylContact O-C 3.52Å; V355-N423 VanDerWaalsContact O-C 3.32Å; F421-N423 VanDerWaalsContact C-N 3.33Å; F421-N423 PolarHBondContact O-N 3.37Å; N423-Q425 PolarHBondContact O-N 2.88Å; N423-Q425 PolarHBondContact O-NE2 3.42Å; N423-Q425 VanDerWaalsContact O-NE2 3.07Å
424V98Very high97.1Very high1 Ų127.2 Ų27.21%0.00613%0.134CC..  trans-62.8130.5177.775.20000110.5V355 I358 F421 V427 F454 K519V355-V424 PolarHBondContact O-N 2.92Å; I358-V424 HydrophobicContact CB-CG2 4.45Å; I358-V424 HydrophobicContact CD1-CB 4.39Å; I358-V424 HydrophobicContact CD1-CG2 3.82Å; I358-V424 HydrophobicContact CG1-CG2 3.74Å; F421-V424 HydrophobicContact CB-CB 4.09Å; F421-V424 HydrophobicContact CB-CG1 4.32Å; F421-V424 WeakPolarHBondContact O-CG1 3.49Å; F421-V424 PolarHBondContact O-N 2.96Å; V424-V427 HydrophobicContact CG2-CG2 3.66Å; V424-F454 HydrophobicContact CG1-CE1 4.17Å; V424-F454 HydrophobicContact CG1-CZ 3.65Å; V424-K519 WeakPolarHBondContact O-CD 3.33Å
425Q97.9Very high96.7Very high71 Ų7127 Ų2733%0.33213%0.133SC..  trans-111.4-34.2179.4-56.7-57.7-40.300111.4Q356 N423 I518 K519Q356-Q425 HydrophobicContact CB-CG 4.18Å; Q356-Q425 HydrophobicContact CG-CG 4.47Å; Q356-Q425 PolarHBondContact O-N 3.38Å; N423-Q425 PolarHBondContact O-N 2.88Å; N423-Q425 PolarHBondContact O-NE2 3.42Å; N423-Q425 VanDerWaalsContact O-NE2 3.07Å; Q425-I518 CarbonylContact O-C 3.54Å; Q425-I518 WeakPolarHBondContact O-CA 3.46Å; Q425-K519 PolarHBondContact O-N 3.15Å
426R98.4Very high96.4Very high53 Ų5328.9 Ų28.920%0.215%0.145CC..EExtended strand (participates in β ladder)trans-135.6129.1-173.3-58.5176.968.385.7-3110.4I251 L252 Q356 S357 I358 F517I251-R426 PolarHBondContact O-NH2 3.14Å; I251-R426 VanDerWaalsContact O-NH2 3.1Å; L252-R426 HydrophobicContact CD1-CB 4.22Å; L252-R426 PolarHBondContact O-NE 2.98Å; Q356-R426 PolarHBondContact O-N 3.14Å; Q356-R426 VanDerWaalsContact O-N 3.12Å; S357-R426 WeakPolarHBondContact CA-O 3.33Å; I358-R426 PolarHBondContact N-O 3.16Å; R426-F517 WeakPolarHBondContact CA-O 3.31Å
427V98.7Very high96.1Very high0 Ų029.6 Ų29.60%015%0.149CC..EExtended strand (participates in β ladder)trans-127.3118.9175.4-1760000109I358 L415 A418 F419 V424 F517I358-V427 HydrophobicContact CB-CG1 4.43Å; I358-V427 HydrophobicContact CB-CG2 4.34Å; I358-V427 WeakPolarHBondContact O-CA 3.5Å; L415-V427 HydrophobicContact CD2-CG1 4.14Å; A418-V427 HydrophobicContact CB-CG1 4.38Å; F419-V427 HydrophobicContact CD1-CG2 4.08Å; F419-V427 HydrophobicContact CE1-CB 3.98Å; F419-V427 HydrophobicContact CE1-CG2 3.63Å; F419-V427 HydrophobicContact CZ-CB 3.89Å; F419-V427 HydrophobicContact CZ-CG1 4.15Å; F419-V427 HydrophobicContact CZ-CG2 3.99Å; V424-V427 HydrophobicContact CG2-CG2 3.66Å; V427-F517 HydrophobicContact CB-CB 4.4Å; V427-F517 PolarHBondContact N-O 3.32Å; V427-F517 PolarHBondContact O-N 2.95Å
428V98.6Very high96Very high0 Ų028.9 Ų28.90%015%0.146CC..EExtended strand (participates in β ladder)trans-98.1125.9171.1168.40000109.4I251 L252 I358 L359 L360 I514 A515 L516I251-V428 HydrophobicContact CB-CG2 4.45Å; I251-V428 HydrophobicContact CG2-CG2 3.99Å; L252-V428 HydrophobicContact CB-CB 4.47Å; L252-V428 HydrophobicContact CB-CG2 3.78Å; L252-V428 HydrophobicContact CD1-CB 4.04Å; L252-V428 HydrophobicContact CD1-CG2 3.65Å; L252-V428 HydrophobicContact CG-CG2 4.33Å; I358-V428 PolarHBondContact O-N 3.11Å; L359-V428 HydrophobicContact CD1-CB 3.93Å; L359-V428 HydrophobicContact CD1-CG1 3.69Å; L360-V428 PolarHBondContact N-O 2.59Å; V428-I514 HydrophobicContact CG1-CD1 3.53Å; V428-I514 HydrophobicContact CG1-CG1 3.84Å; V428-A515 WeakPolarHBondContact CA-O 3.5Å; V428-L516 HydrophobicContact CG2-CD1 3.69Å
429Y98.6Very high95.9Very high0 Ų028.9 Ų28.90%015%0.146CC..EExtended strand (participates in β ladder)trans-108.8130.2171.9175.2-117.1000109.7L360 P362 Q411 L415 T431 E438 V442 V443 F513 I514 A515L360-Y429 HydrophobicContact CD2-CD2 4.39Å; L360-Y429 HydrophobicContact CG-CD2 4.44Å; L360-Y429 WeakPolarHBondContact O-CA 3Å; P362-Y429 HydrophobicContact CG-CE2 3.78Å; Q411-Y429 HydrophobicContact CB-CE2 4.31Å; Q411-Y429 WeakPolarHBondContact CB-OH 3.47Å; Q411-Y429 PolarHBondContact OE1-OH 3.2Å; L415-Y429 HydrophobicContact CD1-CD1 4.28Å; L415-Y429 HydrophobicContact CD1-CD2 3.67Å; L415-Y429 HydrophobicContact CD1-CE2 3.96Å; L415-Y429 HydrophobicContact CD1-CG 3.83Å; L415-Y429 HydrophobicContact CD2-CD2 4.13Å; L415-Y429 HydrophobicContact CD2-CG 4.3Å; L415-Y429 HydrophobicContact CG-CD2 4.05Å; L415-Y429 HydrophobicContact CG-CG 4.48Å; Y429-T431 HydrophobicContact CE1-CG2 3.84Å; Y429-T431 HydrophobicContact CE2-CG2 4.08Å; Y429-T431 VanDerWaalsContact CZ-CG2 3.42Å; Y429-T431 WeakPolarHBondContact OH-CG2 3.33Å; Y429-E438 PolarHBondContact OH-O 3.2Å; Y429-V442 HydrophobicContact CE1-CG1 4.3Å; Y429-V443 HydrophobicContact CD1-CG2 3.91Å; Y429-V443 HydrophobicContact CE1-CG2 4.28Å; Y429-F513 HydrophobicContact CD1-CD1 4.29Å; Y429-F513 AromaticContact CD1-CE1 3.98Å; Y429-F513 HydrophobicContact CD1-CE1 3.98Å; Y429-F513 HydrophobicContact CE1-CD1 4.16Å; Y429-F513 HydrophobicContact CE1-CE1 4.02Å; Y429-I514 CarbonylContact O-C 3.53Å; Y429-I514 VanDerWaalsContact O-CA 3.26Å; Y429-I514 WeakPolarHBondContact O-CA 3.43Å; Y429-I514 WeakPolarHBondContact O-CG1 3.39Å; Y429-A515 PolarHBondContact N-O 3.33Å; Y429-A515 PolarHBondContact O-N 3.43Å
430S98.1Very high95.8Very high0 Ų027.8 Ų27.80%014%0.141CC..EExtended strand (participates in β ladder)trans-140.4151.4174.6670000114L360 D361 P362 F512 F513L360-S430 PolarHBondContact O-N 3.36Å; D361-S430 PolarHBondContact OD1-OG 3.16Å; P362-S430 WeakPolarHBondContact CD-O 3.47Å; S430-F512 VanDerWaalsContact CB-CZ 3.45Å; S430-F513 CarbonylContact C-O 3.57Å; S430-F513 WeakPolarHBondContact CA-O 3.42Å; S430-F513 WeakPolarHBondContact CB-O 3.25Å
431T97Very high95.6Very high0 Ų025.2 Ų25.20%014%0.135CC..EExtended strand (participates in β ladder)trans-138154171.882.80000111.7Y429 S433 N439 F512 F513Y429-T431 HydrophobicContact CE1-CG2 3.84Å; Y429-T431 HydrophobicContact CE2-CG2 4.08Å; Y429-T431 VanDerWaalsContact CZ-CG2 3.42Å; Y429-T431 WeakPolarHBondContact OH-CG2 3.33Å; T431-S433 PolarHBondContact O-N 3.37Å; T431-S433 WeakPolarHBondContact OG1-CB 3.19Å; T431-S433 PolarHBondContact OG1-N 2.65Å; T431-S433 VanDerWaalsContact OG1-N 3.16Å; T431-N439 PolarHBondContact OG1-OD1 3.42Å; T431-F512 CarbonylContact O-C 3.59Å; T431-F512 VanDerWaalsContact O-CA 3.3Å; T431-F512 WeakPolarHBondContact O-CA 3.44Å; T431-F512 WeakPolarHBondContact O-CD2 3.32Å; T431-F512 WeakPolarHBondContact O-CE2 3.35Å; T431-F512 WeakPolarHBondContact O-CG 3.36Å; T431-F513 PolarHBondContact N-O 3.43Å; T431-F513 PolarHBondContact O-N 3.42Å
432C93.5Very high95.6Very high29 Ų2925.1 Ų25.120%0.19614%0.135CC..SBendtrans-86.334.3166.744.20000113C364 G366 G368 L369 G511 F512C364-C432 WeakPolarHBondContact CB-SG 3.49Å; C364-C432 WeakPolarHBondContact SG-CA 3.42Å; C364-C432 WeakPolarHBondContact SG-CB 3.39Å; C364-C432 PolarHBondContact SG-N 2.87Å; C364-C432 PolarHBondContact SG-O 3.43Å; C364-C432 CovalentContact SG-SG 2.07Å; C364-C432 PolarHBondContact SG-SG 3.13Å; G366-C432 CarbonylContact C-O 3.58Å; G368-C432 WeakPolarHBondContact CA-O 3.42Å; G368-C432 PolarHBondContact N-O 3.13Å; L369-C432 HydrophobicContact CD1-CB 4.33Å; L369-C432 HydrophobicContact CG-CB 4.29Å; C432-G511 CarbonylContact C-O 3.57Å; C432-F512 HydrophobicContact CB-CD2 4.48Å
433S90.9Very high95.6Very high0 Ų022.5 Ų22.50%012%0.118CC..  trans-118.5146.7-173.1-168.60000112.9S365 S367 T431 H435 E438 N439S365-S433 PolarHBondContact OG-OG 2.94Å; S367-S433 VanDerWaalsContact OG-CA 3.31Å; S367-S433 WeakPolarHBondContact OG-CA 3.47Å; S367-S433 PolarHBondContact OG-OG 3.46Å; T431-S433 PolarHBondContact O-N 3.37Å; T431-S433 WeakPolarHBondContact OG1-CB 3.19Å; T431-S433 PolarHBondContact OG1-N 2.65Å; T431-S433 VanDerWaalsContact OG1-N 3.16Å; S433-H435 PolarHBondContact OG-N 3.04Å; S433-H435 VanDerWaalsContact OG-N 3.1Å; S433-E438 VanDerWaalsContact CB-OE2 3.23Å; S433-E438 WeakPolarHBondContact CB-OE2 3.34Å; S433-E438 PolarHBondContact OG-OE2 3.01Å; S433-N439 PolarHBondContact O-ND2 3.35Å
434I88.8Confident95.5Very high79 Ų7922.4 Ų22.441%0.40511%0.112SC..  trans-93-11.3167.761.9166.7000112.6S367 R502S367-I434 PolarHBondContact OG-N 3.14Å; I434-R502 PolarHBondContact O-NH1 3.39Å; I434-R502 PolarHBondContact O-NH2 3.4Å
435H90.3Very high95.4Very high4 Ų426 Ų262%0.01913%0.129CC..  trans-78.3124.8-172-67.6-51.3000112.2F381 Y396 Y400 L404 S433 E437 E438 N439F381-H435 AromaticContact CE1-CE1 3.35Å; F381-H435 WeakPolarHBondContact CE1-CE1 3.31Å; F381-H435 AromaticContact CE1-NE2 3.48Å; F381-H435 WeakPolarHBondContact CE1-NE2 3.32Å; F381-H435 AromaticContact CZ-CE1 3.61Å; F381-H435 AromaticContact CZ-NE2 3.2Å; F381-H435 WeakPolarHBondContact CZ-NE2 3.35Å; Y396-H435 AromaticContact CZ-CE1 3.64Å; Y396-H435 PolarHBondContact OH-CE1 3.01Å; Y400-H435 AromaticContact CE1-NE2 3.52Å; Y400-H435 AromaticContact CZ-NE2 3.6Å; Y400-H435 PolarHBondContact OH-NE2 3.49Å; L404-H435 HydrophobicContact CD1-CB 3.96Å; L404-H435 HydrophobicContact CD2-CB 4.19Å; S433-H435 PolarHBondContact OG-N 3.04Å; S433-H435 VanDerWaalsContact OG-N 3.1Å; H435-E437 PolarHBondContact O-N 3.47Å; H435-E438 IonicContact CD2-OE2 2.62Å; H435-E438 PolarHBondContact O-N 2.88Å; H435-N439 WeakPolarHBondContact O-CB 3.3Å; H435-N439 VanDerWaalsContact O-CG 3.29Å; H435-N439 PolarHBondContact O-N 3.42Å; H435-N439 PolarHBondContact O-ND2 3.46Å
436P92.7Very high95.3Very high40 Ų4022.7 Ų22.726%0.2611%0.114SC..G310 helixtrans-56.6-30.7175.9-24.835.4000114.1E438 N439 E440 S441 L491 L494P436-E438 VanDerWaalsContact C-N 3.31Å; P436-E438 PolarHBondContact O-N 3Å; P436-N439 CarbonylContact O-C 3.39Å; P436-N439 PolarHBondContact O-N 2.65Å; P436-N439 VanDerWaalsContact O-N 3.08Å; P436-E440 WeakPolarHBondContact CA-OE2 3.25Å; P436-E440 PolarHBondContact O-N 2.92Å; P436-S441 WeakPolarHBondContact O-CB 3.45Å; P436-S441 PolarHBondContact O-N 3.36Å; P436-S441 PolarHBondContact O-OG 3.41Å; P436-L491 HydrophobicContact CB-CD1 3.98Å; P436-L491 HydrophobicContact CG-CD1 3.54Å; P436-L494 HydrophobicContact CB-CD1 4.17Å
437E92.9Very high95.2Very high77 Ų7720.3 Ų20.336%0.3611%0.105SC..G310 helixtrans-61.2-35.9179.4-64.388.2158.700112.9L404 S408 H435 V442L404-E437 HydrophobicContact CD2-CB 3.99Å; L404-E437 HydrophobicContact CD2-CG 4.05Å; L404-E437 HydrophobicContact CG-CB 4.11Å; S408-E437 WeakPolarHBondContact CB-O 3.49Å; H435-E437 PolarHBondContact O-N 3.47Å; E437-V442 WeakPolarHBondContact O-CG2 3.35Å
438E94.8Very high94.9Very high0 Ų024.5 Ų24.50%013%0.128CC..G310 helixtrans-88.3-11.7175.8-67.4-177.2102.900112.5C364 S365 L404 Q411 Y429 S433 H435 P436C364-E438 VanDerWaalsContact CA-OE1 3.28Å; C364-E438 WeakPolarHBondContact CA-OE1 3.43Å; S365-E438 WeakPolarHBondContact CB-OE2 3.2Å; S365-E438 PolarHBondContact N-OE1 3.03Å; S365-E438 PolarHBondContact N-OE2 3.36Å; S365-E438 PolarHBondContact OG-OE2 3.44Å; L404-E438 HydrophobicContact CD1-CG 3.58Å; L404-E438 WeakPolarHBondContact CD1-OE2 3.49Å; Q411-E438 PolarHBondContact NE2-OE1 3.03Å; Q411-E438 VanDerWaalsContact OE1-CA 3.24Å; Q411-E438 VanDerWaalsContact OE1-CB 3.26Å; Q411-E438 PolarHBondContact OE1-O 3Å; Y429-E438 PolarHBondContact OH-O 3.2Å; S433-E438 VanDerWaalsContact CB-OE2 3.23Å; S433-E438 WeakPolarHBondContact CB-OE2 3.34Å; S433-E438 PolarHBondContact OG-OE2 3.01Å; H435-E438 IonicContact CD2-OE2 2.62Å; H435-E438 PolarHBondContact O-N 2.88Å; P436-E438 VanDerWaalsContact C-N 3.31Å; P436-E438 PolarHBondContact O-N 3Å
439N96.1Very high94.8Very high0 Ų030.2 Ų30.20%015%0.15CC..THydrogen-bonded Turntrans-113.8-98-168.6-68.2-12.3000110.6T431 S433 H435 P436 S441 V442 V443 R502 F513T431-N439 PolarHBondContact OG1-OD1 3.42Å; S433-N439 PolarHBondContact O-ND2 3.35Å; H435-N439 WeakPolarHBondContact O-CB 3.3Å; H435-N439 VanDerWaalsContact O-CG 3.29Å; H435-N439 PolarHBondContact O-N 3.42Å; H435-N439 PolarHBondContact O-ND2 3.46Å; P436-N439 CarbonylContact O-C 3.39Å; P436-N439 PolarHBondContact O-N 2.65Å; P436-N439 VanDerWaalsContact O-N 3.08Å; N439-S441 VanDerWaalsContact C-N 3.29Å; N439-S441 PolarHBondContact O-N 3.22Å; N439-V442 PolarHBondContact O-N 2.99Å; N439-V443 WeakPolarHBondContact O-CG2 3.47Å; N439-V443 PolarHBondContact O-N 3.41Å; N439-R502 PolarHBondContact ND2-NH2 3.12Å; N439-F513 HydrophobicContact CB-CB 4.17Å; N439-F513 HydrophobicContact CB-CD1 3.66Å; N439-F513 HydrophobicContact CB-CD2 3.82Å; N439-F513 HydrophobicContact CB-CE1 3.91Å; N439-F513 HydrophobicContact CB-CE2 4.05Å; N439-F513 HydrophobicContact CB-CG 3.61Å; N439-F513 HydrophobicContact CB-CZ 4.09Å; N439-F513 VanDerWaalsContact CG-CB 3.42Å; N439-F513 VanDerWaalsContact CG-CG 3.43Å; N439-F513 VanDerWaalsContact ND2-CB 3.33Å; N439-F513 WeakPolarHBondContact ND2-CB 3.33Å; N439-F513 WeakPolarHBondContact OD1-CB 3.48Å
440E96.1Very high94.7Very high0 Ų030.5 Ų30.50%015%0.152CC..Hα-helixtrans-61.8-34.9-176.3-68.186172.300112.9P436 V443 R444 G490 L491 L494 C497 R502 F513P436-E440 WeakPolarHBondContact CA-OE2 3.25Å; P436-E440 PolarHBondContact O-N 2.92Å; E440-V443 PolarHBondContact O-N 2.95Å; E440-R444 VanDerWaalsContact O-CB 3.29Å; E440-R444 WeakPolarHBondContact O-CB 3.46Å; E440-R444 PolarHBondContact O-N 3Å; E440-G490 WeakPolarHBondContact OE1-CA 3.49Å; E440-L491 HydrophobicContact CG-CB 4.25Å; E440-L491 WeakPolarHBondContact OE1-CG 3.46Å; E440-L491 PolarHBondContact OE1-N 2.92Å; E440-L494 HydrophobicContact CB-CB 3.82Å; E440-L494 HydrophobicContact CB-CD1 3.46Å; E440-L494 VanDerWaalsContact CB-CD1 3.46Å; E440-L494 HydrophobicContact CB-CG 4.28Å; E440-L494 HydrophobicContact CG-CB 4.34Å; E440-L494 HydrophobicContact CG-CD1 4.06Å; E440-C497 HydrophobicContact CB-CB 4.33Å; E440-C497 HydrophobicContact CG-CB 3.57Å; E440-C497 VanDerWaalsContact CG-SG 3.57Å; E440-R502 VanDerWaalsContact CD-NH2 3.32Å; E440-R502 IonicContact OE1-CZ 3.92Å; E440-R502 IonicContact OE1-NE 3.41Å; E440-R502 PolarHBondContact OE1-NE 3.15Å; E440-R502 IonicContact OE1-NH2 2.74Å; E440-R502 PolarHBondContact OE1-NH2 2.97Å; E440-R502 IonicContact OE2-CZ 3.69Å; E440-R502 IonicContact OE2-NE 2.73Å; E440-R502 IonicContact OE2-NH2 3.92Å; E440-R502 PolarHBondContact OE2-NH2 3.46Å; E440-F513 HydrophobicContact CG-CE2 4.21Å
441S95.1Very high94.6Very high44 Ų4433.6 Ų33.631%0.30817%0.174SC..Hα-helixtrans-64.4-43177.7-68.30000111.6P436 N439 E445P436-S441 WeakPolarHBondContact O-CB 3.45Å; P436-S441 PolarHBondContact O-N 3.36Å; P436-S441 PolarHBondContact O-OG 3.41Å; N439-S441 VanDerWaalsContact C-N 3.29Å; N439-S441 PolarHBondContact O-N 3.22Å; S441-E445 PolarHBondContact O-N 3.15Å; S441-E445 VanDerWaalsContact O-N 3.14Å
442V96.8Very high94.4Very high2 Ų238.7 Ų38.71%0.01220%0.201CC..Hα-helixtrans-64.4-48.4173.5175.60000110.1Q411 A412 L415 Y429 E437 N439 R444 E445 I446Q411-V442 HydrophobicContact CB-CG1 4.22Å; Q411-V442 HydrophobicContact CB-CG2 4.2Å; A412-V442 HydrophobicContact CB-CG1 4.37Å; L415-V442 HydrophobicContact CD1-CG1 3.56Å; Y429-V442 HydrophobicContact CE1-CG1 4.3Å; E437-V442 WeakPolarHBondContact O-CG2 3.35Å; N439-V442 PolarHBondContact O-N 2.99Å; V442-R444 VanDerWaalsContact C-N 3.34Å; V442-R444 PolarHBondContact O-N 3.24Å; V442-E445 PolarHBondContact O-N 3.31Å; V442-I446 HydrophobicContact CG1-CG1 4.32Å; V442-I446 WeakPolarHBondContact O-CB 3.44Å; V442-I446 VanDerWaalsContact O-CG1 3.24Å; V442-I446 WeakPolarHBondContact O-CG1 3.43Å; V442-I446 PolarHBondContact O-N 2.94Å
443V96.8Very high94.6Very high0 Ų043 Ų430%022%0.217CC..Hα-helixtrans-59.8-43.2-179.5167.30000111.9Y429 N439 E440 I446 A447 L456 F513 A515 F517Y429-V443 HydrophobicContact CD1-CG2 3.91Å; Y429-V443 HydrophobicContact CE1-CG2 4.28Å; N439-V443 WeakPolarHBondContact O-CG2 3.47Å; N439-V443 PolarHBondContact O-N 3.41Å; E440-V443 PolarHBondContact O-N 2.95Å; V443-I446 PolarHBondContact O-N 2.74Å; V443-A447 VanDerWaalsContact O-CB 3.25Å; V443-A447 WeakPolarHBondContact O-CB 3.16Å; V443-A447 PolarHBondContact O-N 2.74Å; V443-L456 HydrophobicContact CG1-CD1 3.99Å; V443-L456 HydrophobicContact CG1-CD2 4.01Å; V443-F513 HydrophobicContact CG2-CE1 3.59Å; V443-F513 HydrophobicContact CG2-CZ 3.75Å; V443-A515 HydrophobicContact CG1-CB 4.46Å; V443-A515 HydrophobicContact CG2-CB 3.67Å; V443-F517 HydrophobicContact CG1-CZ 3.97Å
444R95.4Very high94.9Very high70 Ų7043.4 Ų43.426%0.26422%0.218SC..Hα-helixtrans-60.6-49.8176179.1-166.1-63.3122.5-23111.7E440 V442 I446 A447 N448 Y495E440-R444 VanDerWaalsContact O-CB 3.29Å; E440-R444 WeakPolarHBondContact O-CB 3.46Å; E440-R444 PolarHBondContact O-N 3Å; V442-R444 VanDerWaalsContact C-N 3.34Å; V442-R444 PolarHBondContact O-N 3.24Å; R444-I446 PolarHBondContact O-N 3.1Å; R444-A447 PolarHBondContact O-N 3.22Å; R444-N448 PolarHBondContact O-N 2.62Å; R444-N448 PolarHBondContact O-ND2 3.23Å; R444-Y495 HydrophobicContact CG-CG 4.16Å
445E95.5Very high95.2Very high78 Ų7843.4 Ų43.436%0.36421%0.214SC..Hα-helixtrans-55.4-44.7179.4-176.7-17315200110.5K416 S441 V442 Y449K416-E445 VanDerWaalsContact CE-OE1 3.23Å; K416-E445 WeakPolarHBondContact CE-OE1 3.35Å; K416-E445 IonicContact NZ-OE1 3.36Å; K416-E445 PolarHBondContact NZ-OE1 3.43Å; S441-E445 PolarHBondContact O-N 3.15Å; S441-E445 VanDerWaalsContact O-N 3.14Å; V442-E445 PolarHBondContact O-N 3.31Å; E445-Y449 WeakPolarHBondContact O-CB 3.47Å; E445-Y449 PolarHBondContact O-N 2.97Å; E445-Y449 VanDerWaalsContact O-N 3.08Å
446I96.9Very high95.5Very high0 Ų043.7 Ų43.70%022%0.215CC..Hα-helixtrans-71.5-44.9-178.4-64.9-59.3000111.9A412 L415 K416 F419 V442 V443 R444 N448 Y449 V450 F517A412-I446 HydrophobicContact CB-CD1 4.43Å; A412-I446 WeakPolarHBondContact O-CD1 3.42Å; L415-I446 HydrophobicContact CB-CD1 3.63Å; L415-I446 HydrophobicContact CB-CG1 3.71Å; L415-I446 HydrophobicContact CB-CG2 4.21Å; L415-I446 HydrophobicContact CD1-CB 4.43Å; L415-I446 HydrophobicContact CD1-CG1 3.73Å; L415-I446 HydrophobicContact CD1-CG2 4.45Å; L415-I446 HydrophobicContact CG-CG1 4.34Å; K416-I446 HydrophobicContact CD-CD1 4.47Å; K416-I446 HydrophobicContact CG-CD1 3.58Å; F419-I446 HydrophobicContact CD2-CG2 4.01Å; F419-I446 HydrophobicContact CE2-CG2 3.38Å; F419-I446 HydrophobicContact CZ-CG2 4.18Å; V442-I446 HydrophobicContact CG1-CG1 4.32Å; V442-I446 WeakPolarHBondContact O-CB 3.44Å; V442-I446 VanDerWaalsContact O-CG1 3.24Å; V442-I446 WeakPolarHBondContact O-CG1 3.43Å; V442-I446 PolarHBondContact O-N 2.94Å; V443-I446 PolarHBondContact O-N 2.74Å; R444-I446 PolarHBondContact O-N 3.1Å; I446-N448 VanDerWaalsContact C-N 3.27Å; I446-N448 PolarHBondContact O-N 3.25Å; I446-Y449 CarbonylContact O-C 3.48Å; I446-Y449 WeakPolarHBondContact O-CA 3.49Å; I446-Y449 WeakPolarHBondContact O-CB 3.02Å; I446-Y449 PolarHBondContact O-N 3.06Å; I446-V450 WeakPolarHBondContact O-CG2 2.84Å; I446-V450 PolarHBondContact O-N 3.39Å; I446-F517 HydrophobicContact CB-CZ 4.29Å; I446-F517 HydrophobicContact CG2-CE1 4.2Å; I446-F517 HydrophobicContact CG2-CE2 4.25Å; I446-F517 HydrophobicContact CG2-CZ 3.83Å
447A95.3Very high95.6Very high3 Ų344.8 Ų44.83%0.02522%0.217CC..Hα-helixtrans-57.9-41.3177.500000111.7V443 R444 V450 S451 Y495 F517V443-A447 VanDerWaalsContact O-CB 3.25Å; V443-A447 WeakPolarHBondContact O-CB 3.16Å; V443-A447 PolarHBondContact O-N 2.74Å; R444-A447 PolarHBondContact O-N 3.22Å; A447-V450 PolarHBondContact O-N 3.34Å; A447-S451 WeakPolarHBondContact O-CA 3.39Å; A447-S451 WeakPolarHBondContact O-CB 3.39Å; A447-S451 PolarHBondContact O-N 3.5Å; A447-Y495 HydrophobicContact CB-CD1 3.88Å; A447-Y495 HydrophobicContact CB-CE1 3.24Å; A447-F517 HydrophobicContact CB-CE1 3.94Å
448N93.9Very high95.6Very high89 Ų8943.9 Ų43.948%0.47622%0.217SC..Hα-helixtrans-62.7-45.1172.4-70.7-17.6000111.5R444 I446 V450 S451R444-N448 PolarHBondContact O-N 2.62Å; R444-N448 PolarHBondContact O-ND2 3.23Å; I446-N448 VanDerWaalsContact C-N 3.27Å; I446-N448 PolarHBondContact O-N 3.25Å; N448-V450 VanDerWaalsContact C-N 3.3Å; N448-V450 PolarHBondContact O-N 2.93Å; N448-S451 PolarHBondContact O-OG 3.47Å
449Y96.3Very high95.6Very high119 Ų11944.1 Ų44.147%0.46722%0.218SC..Hα-helixtrans-62.6-31.1-179.7176.8-105.9000114K416 E445 I446K416-Y449 HydrophobicContact CB-CD1 4.46Å; K416-Y449 HydrophobicContact CB-CE1 4.02Å; K416-Y449 HydrophobicContact CG-CD1 3.79Å; K416-Y449 HydrophobicContact CG-CE1 3.78Å; K416-Y449 HydrophobicContact CG-CG 4.3Å; E445-Y449 WeakPolarHBondContact O-CB 3.47Å; E445-Y449 PolarHBondContact O-N 2.97Å; E445-Y449 VanDerWaalsContact O-N 3.08Å; I446-Y449 CarbonylContact O-C 3.48Å; I446-Y449 WeakPolarHBondContact O-CA 3.49Å; I446-Y449 WeakPolarHBondContact O-CB 3.02Å; I446-Y449 PolarHBondContact O-N 3.06Å
450V96.5Very high95.3Very high6 Ų645.2 Ų45.24%0.03622%0.222CC..THydrogen-bonded Turntrans-112.711.2-176.6-53.90000114.3F419 I446 A447 N448 D452 K453 F454 F517F419-V450 HydrophobicContact CB-CG1 3.94Å; F419-V450 HydrophobicContact CD1-CG1 4.06Å; F419-V450 HydrophobicContact CD2-CG1 3.72Å; F419-V450 HydrophobicContact CE1-CG2 4.42Å; F419-V450 HydrophobicContact CE2-CG1 4.28Å; F419-V450 HydrophobicContact CG-CG1 3.63Å; F419-V450 HydrophobicContact CZ-CG2 4.43Å; I446-V450 WeakPolarHBondContact O-CG2 2.84Å; I446-V450 PolarHBondContact O-N 3.39Å; A447-V450 PolarHBondContact O-N 3.34Å; N448-V450 VanDerWaalsContact C-N 3.3Å; N448-V450 PolarHBondContact O-N 2.93Å; V450-D452 PolarHBondContact O-N 3.17Å; V450-K453 PolarHBondContact O-N 3.29Å; V450-F454 HydrophobicContact CB-CB 4.24Å; V450-F454 HydrophobicContact CB-CD2 4.12Å; V450-F454 HydrophobicContact CG2-CB 3.72Å; V450-F454 HydrophobicContact CG2-CD2 4.44Å; V450-F454 HydrophobicContact CG2-CG 4.41Å; V450-F454 PolarHBondContact O-N 2.79Å; V450-F517 HydrophobicContact CG2-CD1 4.28Å; V450-F517 HydrophobicContact CG2-CE1 4.46Å
451S94.3Very high94.7Very high65 Ų6547.8 Ų47.846%0.45524%0.239SC..THydrogen-bonded Turntrans-58-22.1-171.553.60000114.8A447 N448 Y520A447-S451 WeakPolarHBondContact O-CA 3.39Å; A447-S451 WeakPolarHBondContact O-CB 3.39Å; A447-S451 PolarHBondContact O-N 3.5Å; N448-S451 PolarHBondContact O-OG 3.47Å; S451-Y520 WeakPolarHBondContact O-CE2 3.4Å
452D94.7Very high93.5Very high108 Ų10852.5 Ų52.558%0.57825%0.251SS*.THydrogen-bonded Turntrans-77.6-21.6175.965.1-42.6000113.5V450V450-D452 PolarHBondContact O-N 3.17Å
453K96.2Very high91.7Very high120 Ų12057.3 Ų57.352%0.52228%0.276SS..THydrogen-bonded Turntrans-124.2-30.8-170.5-72.6167.1-171.6170.50114.1V450 K519 Y520V450-K453 PolarHBondContact O-N 3.29Å; K453-K519 CarbonylContact O-C 3.53Å; K453-K519 WeakPolarHBondContact O-CA 3.26Å; K453-K519 WeakPolarHBondContact O-CG 3.47Å; K453-Y520 WeakPolarHBondContact O-CD2 3.36Å; K453-Y520 PolarHBondContact O-N 3.37Å
454F97.2Very high89.8Confident8 Ų860 Ų604%0.03529%0.293CS..EExtended strand (participates in β ladder)trans-132.4154.4-175.3-64.2-102.7000110.7F419 V424 V450 F517 I518 K519F419-F454 HydrophobicContact CD1-CD1 4.03Å; F419-F454 AromaticContact CD1-CD2 3.7Å; F419-F454 HydrophobicContact CD1-CD2 3.7Å; F419-F454 AromaticContact CD1-CE1 3.99Å; F419-F454 HydrophobicContact CD1-CE1 3.99Å; F419-F454 AromaticContact CD1-CE2 3.67Å; F419-F454 HydrophobicContact CD1-CE2 3.67Å; F419-F454 AromaticContact CD1-CG 3.93Å; F419-F454 HydrophobicContact CD1-CG 3.93Å; F419-F454 AromaticContact CD1-CZ 3.84Å; F419-F454 HydrophobicContact CD1-CZ 3.84Å; F419-F454 HydrophobicContact CE1-CB 4.32Å; F419-F454 AromaticContact CE1-CD1 3.67Å; F419-F454 HydrophobicContact CE1-CD1 3.67Å; F419-F454 HydrophobicContact CE1-CD2 4.01Å; F419-F454 AromaticContact CE1-CE1 3.96Å; F419-F454 HydrophobicContact CE1-CE1 3.96Å; F419-F454 HydrophobicContact CE1-CE2 4.29Å; F419-F454 AromaticContact CE1-CG 3.74Å; F419-F454 HydrophobicContact CE1-CG 3.74Å; F419-F454 HydrophobicContact CE1-CZ 4.29Å; V424-F454 HydrophobicContact CG1-CE1 4.17Å; V424-F454 HydrophobicContact CG1-CZ 3.65Å; V450-F454 HydrophobicContact CB-CB 4.24Å; V450-F454 HydrophobicContact CB-CD2 4.12Å; V450-F454 HydrophobicContact CG2-CB 3.72Å; V450-F454 HydrophobicContact CG2-CD2 4.44Å; V450-F454 HydrophobicContact CG2-CG 4.41Å; V450-F454 PolarHBondContact O-N 2.79Å; F454-F517 HydrophobicContact CD1-CB 4.47Å; F454-I518 CarbonylContact C-O 3.4Å; F454-I518 WeakPolarHBondContact CA-O 3.47Å; F454-I518 VanDerWaalsContact CD1-C 3.45Å; F454-K519 VanDerWaalsContact CD1-CA 3.49Å; F454-K519 HydrophobicContact CD1-CB 3.88Å; F454-K519 VanDerWaalsContact CD1-N 3.27Å; F454-K519 HydrophobicContact CE1-CB 3.54Å; F454-K519 HydrophobicContact CE1-CG 4.1Å; F454-K519 HydrophobicContact CE2-CG 4.4Å; F454-K519 HydrophobicContact CZ-CB 3.95Å; F454-K519 HydrophobicContact CZ-CD 4.2Å; F454-K519 HydrophobicContact CZ-CG 4Å
455Y95.4Very high87.6Confident79 Ų7962.2 Ų62.231%0.3132%0.319SS..EExtended strand (participates in β ladder)trans-126159.2170.870.3-83.6000110.5E457 F517 I518 Y520Y455-E457 HydrophobicContact CE2-CB 4.13Å; Y455-E457 WeakPolarHBondContact CE2-OE2 3.5Å; Y455-E457 VanDerWaalsContact CZ-OE2 3.25Å; Y455-E457 PolarHBondContact OH-OE2 3.11Å; Y455-F517 WeakPolarHBondContact O-CA 3.4Å; Y455-I518 HydrophobicContact CD1-CB 4.38Å; Y455-I518 VanDerWaalsContact CD1-O 3.22Å; Y455-I518 WeakPolarHBondContact CD1-O 3.46Å; Y455-I518 HydrophobicContact CE1-CB 3.71Å; Y455-I518 HydrophobicContact CE1-CG2 3.74Å; Y455-I518 HydrophobicContact CE2-CB 4.47Å; Y455-I518 PolarHBondContact N-O 3.31Å; Y455-I518 PolarHBondContact O-N 3.2Å; Y455-Y520 AromaticContact CD1-CD1 3.74Å; Y455-Y520 HydrophobicContact CD1-CD1 3.74Å; Y455-Y520 AromaticContact CD1-CE1 3.65Å; Y455-Y520 HydrophobicContact CD1-CE1 3.65Å; Y455-Y520 HydrophobicContact CD1-CG 4.43Å; Y455-Y520 HydrophobicContact CE1-CD1 4.41Å; Y455-Y520 HydrophobicContact CG-CE1 4.02Å
456L95.8Very high85.4Confident9 Ų963.1 Ų63.15%0.04733%0.334CS..EExtended strand (participates in β ladder)trans-84.9112.4176.4-173.769.8000109.4V443 Q496 A515 F517V443-L456 HydrophobicContact CG1-CD1 3.99Å; V443-L456 HydrophobicContact CG1-CD2 4.01Å; L456-Q496 HydrophobicContact CD2-CB 4.45Å; L456-Q496 WeakPolarHBondContact CD2-O 3.37Å; L456-A515 HydrophobicContact CD1-CB 4.05Å; L456-F517 HydrophobicContact CD1-CD1 4.36Å; L456-F517 HydrophobicContact CD1-CE1 4.07Å; L456-F517 HydrophobicContact CD1-CE2 4.29Å; L456-F517 HydrophobicContact CD1-CZ 4.05Å
457E95Very high83Confident64 Ų6467.4 Ų67.430%0.29936%0.364SS..  trans-80.5136.7-178.6178.569.7-145.400110.9Y455 I459 L516 I518Y455-E457 HydrophobicContact CE2-CB 4.13Å; Y455-E457 WeakPolarHBondContact CE2-OE2 3.5Å; Y455-E457 VanDerWaalsContact CZ-OE2 3.25Å; Y455-E457 PolarHBondContact OH-OE2 3.11Å; E457-I459 PolarHBondContact O-N 3.5Å; E457-L516 HydrophobicContact CB-CB 4.41Å; E457-L516 HydrophobicContact CB-CD2 3.88Å; E457-L516 HydrophobicContact CB-CG 4Å; E457-L516 HydrophobicContact CG-CD2 3.83Å; E457-L516 PolarHBondContact N-O 2.91Å; E457-I518 HydrophobicContact CB-CD1 3.63Å; E457-I518 HydrophobicContact CB-CG1 3.98Å; E457-I518 HydrophobicContact CG-CD1 3.59Å; E457-I518 HydrophobicContact CG-CG1 4.47Å; E457-I518 WeakPolarHBondContact OE2-CD1 3.39Å
458T94.1Very high80.3Confident57 Ų5772.2 Ų72.235%0.3540%0.397SS..  trans-72.2109174.4-56.20000110.6W460 P461 S499T458-W460 PolarHBondContact O-N 3.43Å; T458-P461 HydrophobicContact CG2-CB 3.88Å; T458-S499 PolarHBondContact OG1-OG 3.47Å
459I94Very high77.6Confident6 Ų672.1 Ų72.13%0.03140%0.404CS..SBendtrans-75.3130.3-179.8-52.4164.5000109.4I251 E457 R489 S499 I501 I514 L516I251-I459 HydrophobicContact CD1-CD1 4.27Å; I251-I459 HydrophobicContact CD1-CG2 3.57Å; I251-I459 HydrophobicContact CG1-CG2 3.68Å; I251-I459 HydrophobicContact CG2-CD1 4.15Å; I251-I459 HydrophobicContact CG2-CG1 4.13Å; I251-I459 HydrophobicContact CG2-CG2 4.12Å; E457-I459 PolarHBondContact O-N 3.5Å; I459-R489 VanDerWaalsContact O-CZ 3.29Å; I459-R489 PolarHBondContact O-NH1 3.43Å; I459-R489 PolarHBondContact O-NH2 3.37Å; I459-S499 PolarHBondContact N-O 3.46Å; I459-I501 HydrophobicContact CB-CD1 3.87Å; I459-I501 HydrophobicContact CB-CG1 4.12Å; I459-I501 HydrophobicContact CG2-CD1 3.41Å; I459-I501 VanDerWaalsContact CG2-CD1 3.41Å; I459-I501 HydrophobicContact CG2-CG1 4.2Å; I459-I514 HydrophobicContact CD1-CG1 4.41Å; I459-I514 HydrophobicContact CD1-CG2 4.22Å; I459-L516 HydrophobicContact CD1-CB 4.04Å; I459-L516 HydrophobicContact CG1-CB 3.9Å
460W90.9Very high74.6Confident22 Ų2273.2 Ų73.28%0.08342%0.423CS..SBendtrans46.659.4170.4-63.5-17.4000113F247 E250 I251 T458 P484 W486 R489 I501F247-W460 HydrophobicContact CB-CH2 4.2Å; F247-W460 AromaticContact CD1-CH2 3.53Å; F247-W460 HydrophobicContact CD1-CH2 3.53Å; F247-W460 AromaticContact CD1-CZ3 3.85Å; F247-W460 HydrophobicContact CD1-CZ3 3.85Å; F247-W460 HydrophobicContact CD2-CH2 4.4Å; F247-W460 HydrophobicContact CD2-CZ3 4.09Å; F247-W460 AromaticContact CE1-CH2 3.93Å; F247-W460 HydrophobicContact CE1-CH2 3.93Å; F247-W460 AromaticContact CE1-CZ3 3.9Å; F247-W460 HydrophobicContact CE1-CZ3 3.9Å; F247-W460 HydrophobicContact CE2-CZ3 4.14Å; F247-W460 AromaticContact CG-CH2 3.8Å; F247-W460 HydrophobicContact CG-CH2 3.8Å; F247-W460 AromaticContact CG-CZ3 3.96Å; F247-W460 HydrophobicContact CG-CZ3 3.96Å; F247-W460 HydrophobicContact CZ-CZ3 4.07Å; E250-W460 HydrophobicContact CB-CZ2 4.3Å; I251-W460 HydrophobicContact CD1-CH2 4.24Å; I251-W460 HydrophobicContact CD1-CZ2 4.22Å; I251-W460 HydrophobicContact CG1-CH2 4.22Å; I251-W460 HydrophobicContact CG1-CZ2 3.71Å; T458-W460 PolarHBondContact O-N 3.43Å; W460-P484 WeakPolarHBondContact CA-O 3.39Å; W460-P484 WeakPolarHBondContact CB-O 3.15Å; W460-P484 HydrophobicContact CD2-CB 3.72Å; W460-P484 HydrophobicContact CD2-CG 4.21Å; W460-P484 HydrophobicContact CE3-CB 4.12Å; W460-P484 HydrophobicContact CG-CB 3.89Å; W460-P484 HydrophobicContact CG-CG 4.41Å; W460-P484 HydrophobicContact CZ2-CB 4.47Å; W460-P484 HydrophobicContact CZ2-CG 4.27Å; W460-W486 HydrophobicContact CB-CB 4.35Å; W460-W486 HydrophobicContact CE3-CB 3.99Å; W460-W486 PolarHBondContact O-N 3.02Å; W460-R489 PolarHBondContact O-NH1 3.03Å; W460-I501 HydrophobicContact CB-CD1 4.33Å; W460-I501 HydrophobicContact CD2-CD1 4.04Å; W460-I501 HydrophobicContact CE3-CD1 3.41Å; W460-I501 VanDerWaalsContact CE3-CD1 3.41Å; W460-I501 HydrophobicContact CG-CD1 4.46Å; W460-I501 HydrophobicContact CZ3-CD1 4.02Å
461P83.1Confident71.8Confident54 Ų5478.7 Ų78.735%0.35146%0.461SS..  trans-63.6149.5-171.726.6-34.5000112.1T458T458-P461 HydrophobicContact CG2-CB 3.88Å
462Y69.2Low68.9Low143 Ų14381 Ų8156%0.56148%0.478SS*.  trans-87.5113.4165179.9-103.5000108.4P464 I485Y462-P464 HydrophobicContact CD1-CG 4Å; Y462-P464 HydrophobicContact CE1-CB 4Å; Y462-P464 HydrophobicContact CE1-CG 3.76Å; Y462-P464 WeakPolarHBondContact O-CD 3.26Å; Y462-I485 HydrophobicContact CD2-CG2 3.82Å
463I60.2Low66.1Low104 Ų10481.7 Ų81.753%0.53349%0.486SS..  trans-100.2109.1171.2-55.3174.3000106.7S465I463-S465 PolarHBondContact O-N 3.42Å
464P55.8Low62.9Low57 Ų5781.6 Ų81.637%0.3750%0.496SS..  trans-61.2134.4173.7-13.325.4000109.4Y462 S466 S467Y462-P464 HydrophobicContact CD1-CG 4Å; Y462-P464 HydrophobicContact CE1-CB 4Å; Y462-P464 HydrophobicContact CE1-CG 3.76Å; Y462-P464 WeakPolarHBondContact O-CD 3.26Å; P464-S466 PolarHBondContact O-N 3.28Å; P464-S467 PolarHBondContact O-OG 3.17Å
465S50.5Low59.9Low115 Ų11588.7 Ų88.780%0.80453%0.534SS*.THydrogen-bonded Turntrans-65.710.7-179.844.20000115.2I463I463-S465 PolarHBondContact O-N 3.42Å
466S47.2Very low56.6Low97 Ų9790.6 Ų90.668%0.67856%0.559SS**THydrogen-bonded Turntrans-107.91.8-176.159.50000114.6P464P464-S466 PolarHBondContact O-N 3.28Å
467S46.7Very low53.6Low91 Ų9198.4 Ų98.464%0.63660%0.597SS**SBendtrans-9713.2177.856.50000114.2P464P464-S467 PolarHBondContact O-OG 3.17Å
468S40.3Very low50.4Low103 Ų103103.7 Ų103.772%0.7262%0.624SS**  trans-96.212.8-176.6450000114.8
469S35.5Very low47.6Very low88 Ų88108.5 Ų108.562%0.61564%0.642SS**SBendtrans-109.7129.4172.547.50000110.2
470T34.2Very low45.1Very low141 Ų141113.1 Ų113.187%0.86567%0.667SS**SBendtrans81.568.8172.866.40000119.1
471S38Very low43Very low121 Ų121117.8 Ų117.885%0.84670%0.698SS**  -168.4100.613047.60000110.8T473S471-T473 PolarHBondContact O-N 3.48Å
472S32.4Very low41.9Very low115 Ų115119.2 Ų119.280%0.80471%0.705SS**  trans-62.1121.8163.944.90000109.6
473T35.3Very low41.6Very low121 Ų121115.9 Ų115.974%0.74270%0.7SS**  167.5119.1128.4-57.40000109.4S471S471-T473 PolarHBondContact O-N 3.48Å
474T30.4Very low42.3Very low119 Ų119112 Ų11273%0.7368%0.681SS**SBendtrans60.287.9160.359.60000120.3
475N34Very low43.5Very low157 Ų157112.6 Ų112.684%0.8468%0.681SS**  152.9107.3123.7-87-20.7000109.6M477N475-M477 PolarHBondContact O-N 3.47Å
476S26.4Very low45.3Very low119 Ų119107.2 Ų107.283%0.83264%0.643SS**  trans-62.4100173-173.30000109.7
477M31.2Very low47.2Very low173 Ų173110 Ų11085%0.85264%0.643SS**  trans-96.6107.8155.7-83.6-171.2158.600106.7N475 H479N475-M477 PolarHBondContact O-N 3.47Å; M477-H479 PolarHBondContact O-N 3.08Å; M477-H479 VanDerWaalsContact O-N 3.1Å
478M29Very low49.3Very low174 Ų174108.8 Ų108.886%0.85763%0.627SS**  trans-51.4118.2166-67-171.479.400107.9D480M478-D480 PolarHBondContact O-N 2.86Å
479H35.5Very low51.8Low159 Ų159106.5 Ų106.574%0.73660%0.602SS**  trans-61108.6172.3-80.8-72000108.4M477 V481M477-H479 PolarHBondContact O-N 3.08Å; M477-H479 VanDerWaalsContact O-N 3.1Å; H479-V481 PolarHBondContact O-N 3.47Å; H479-V481 VanDerWaalsContact O-N 3.17Å
480D40.3Very low54.2Low102 Ų102102.6 Ų102.655%0.54558%0.577SS.*  trans-73.2109.3-177.9-164.91.9000109.7M478 T482 T483M478-D480 PolarHBondContact O-N 2.86Å; D480-T482 PolarHBondContact O-N 2.93Å; D480-T482 WeakPolarHBondContact OD1-CB 3.14Å; D480-T482 WeakPolarHBondContact OD1-CG2 3.47Å; D480-T482 PolarHBondContact OD1-N 2.96Å; D480-T482 PolarHBondContact OD1-OG1 3.21Å; D480-T482 VanDerWaalsContact OD1-OG1 3.09Å; D480-T482 PolarHBondContact OD2-OG1 3.37Å; D480-T483 PolarHBondContact O-N 2.95Å
481V48.2Very low56.8Low121 Ų12199.2 Ų99.273%0.73355%0.553SS**THydrogen-bonded Turntrans-55.8-12.4176177.90000111.8H479H479-V481 PolarHBondContact O-N 3.47Å; H479-V481 VanDerWaalsContact O-N 3.17Å
482T58.8Low58.5Low83 Ų8397.5 Ų97.551%0.50954%0.541SS..THydrogen-bonded Turntrans-70.6-32.4-178.466.70000113.7R188 D480 P484R188-T482 PolarHBondContact NH1-O 2.91Å; R188-T482 VanDerWaalsContact NH1-O 3.09Å; D480-T482 PolarHBondContact O-N 2.93Å; D480-T482 WeakPolarHBondContact OD1-CB 3.14Å; D480-T482 WeakPolarHBondContact OD1-CG2 3.47Å; D480-T482 PolarHBondContact OD1-N 2.96Å; D480-T482 PolarHBondContact OD1-OG1 3.21Å; D480-T482 VanDerWaalsContact OD1-OG1 3.09Å; D480-T482 PolarHBondContact OD2-OG1 3.37Å; T482-P484 WeakPolarHBondContact O-CD 3.45Å
483T64.3Low60.4Low74 Ų7499 Ų9945%0.45454%0.54SS..SBendtrans-60.8124.8-168.9-49.80000110.5R188 D480R188-T483 PolarHBondContact NH2-O 2.88Å; D480-T483 PolarHBondContact O-N 2.95Å
484P74Confident61.7Low21 Ų2194.9 Ų94.914%0.13651%0.513CS..  trans-61143.4176.5-20.531.9000110.5H213 W460 T482H213-P484 HydrophobicContact CB-CB 4.28Å; W460-P484 WeakPolarHBondContact CA-O 3.39Å; W460-P484 WeakPolarHBondContact CB-O 3.15Å; W460-P484 HydrophobicContact CD2-CB 3.72Å; W460-P484 HydrophobicContact CD2-CG 4.21Å; W460-P484 HydrophobicContact CE3-CB 4.12Å; W460-P484 HydrophobicContact CG-CB 3.89Å; W460-P484 HydrophobicContact CG-CG 4.41Å; W460-P484 HydrophobicContact CZ2-CB 4.47Å; W460-P484 HydrophobicContact CZ2-CG 4.27Å; T482-P484 WeakPolarHBondContact O-CD 3.45Å
485I81.1Confident63.6Low70 Ų7093 Ų9336%0.35949%0.493SS..  trans-114.5122.7173.5-64.4174.3000107.4H213 Y462H213-I485 PolarHBondContact NE2-O 3.2Å; Y462-I485 HydrophobicContact CD2-CG2 3.82Å
486W89.1Confident65.6Low3 Ų390.3 Ų90.31%0.01148%0.476CS..  trans-121.3123.3178.7-167.7-85.2000112.7H213 F247 W460 H488 R489 I501 R502 S503 D507 T509H213-W486 AromaticContact CE1-CE3 3.35Å; H213-W486 AromaticContact CE1-CZ3 3.38Å; H213-W486 WeakPolarHBondContact CE1-CZ3 3.46Å; H213-W486 AromaticContact ND1-CE3 3.5Å; H213-W486 AromaticContact ND1-CZ3 3.31Å; H213-W486 VanDerWaalsContact ND1-CZ3 3.31Å; H213-W486 WeakPolarHBondContact ND1-CZ3 3.5Å; H213-W486 AromaticContact NE2-CE3 3.92Å; F247-W486 HydrophobicContact CE1-CZ3 4.43Å; F247-W486 HydrophobicContact CE2-CD2 4.45Å; F247-W486 HydrophobicContact CE2-CE3 4.2Å; F247-W486 AromaticContact CE2-CH2 3.9Å; F247-W486 HydrophobicContact CE2-CH2 3.9Å; F247-W486 HydrophobicContact CE2-CZ2 4.18Å; F247-W486 AromaticContact CE2-CZ3 3.92Å; F247-W486 HydrophobicContact CE2-CZ3 3.92Å; F247-W486 AromaticContact CZ-CE3 3.91Å; F247-W486 HydrophobicContact CZ-CE3 3.91Å; F247-W486 AromaticContact CZ-CH2 3.66Å; F247-W486 HydrophobicContact CZ-CH2 3.66Å; F247-W486 HydrophobicContact CZ-CZ2 4.38Å; F247-W486 AromaticContact CZ-CZ3 3.39Å; F247-W486 HydrophobicContact CZ-CZ3 3.39Å; W460-W486 HydrophobicContact CB-CB 4.35Å; W460-W486 HydrophobicContact CE3-CB 3.99Å; W460-W486 PolarHBondContact O-N 3.02Å; W486-H488 PolarHBondContact NE1-O 2.8Å; W486-R489 WeakPolarHBondContact O-CD 3.49Å; W486-R489 PolarHBondContact O-NH1 3.13Å; W486-I501 HydrophobicContact CB-CD1 3.8Å; W486-I501 HydrophobicContact CB-CG1 4.25Å; W486-I501 HydrophobicContact CD2-CG2 4.38Å; W486-I501 HydrophobicContact CG-CD1 3.96Å; W486-I501 HydrophobicContact CG-CG1 4.17Å; W486-I501 HydrophobicContact CG-CG2 4.1Å; W486-R502 PolarHBondContact NE1-O 3.15Å; W486-S503 VanDerWaalsContact CZ2-CB 3.41Å; W486-D507 HydrophobicContact CH2-CB 3.61Å; W486-D507 HydrophobicContact CZ2-CB 3.59Å; W486-D507 VanDerWaalsContact CZ2-CG 3.41Å; W486-T509 HydrophobicContact CH2-CG2 4.21Å
487K86.8Confident68.3Low155 Ų15584.7 Ų84.767%0.67444%0.436SS*.  trans-84.2-38-169.6-67.2-165.7176.4-161.50114.6R489K487-R489 PolarHBondContact O-N 3.47Å
488H89.9Confident71Confident66 Ų6680.8 Ų80.831%0.30642%0.416SS..  trans-83.3112.8-176.7-62.7122.9000110W486 R502 D507W486-H488 PolarHBondContact NE1-O 2.8Å; H488-R502 VanDerWaalsContact CB-O 3.3Å; H488-R502 WeakPolarHBondContact CB-O 3.11Å; H488-R502 PolarHBondContact O-N 2.87Å; H488-D507 IonicContact CE1-OD1 3.61Å; H488-D507 PolarHBondContact CE1-OD1 2.95Å; H488-D507 IonicContact CE1-OD2 2.59Å; H488-D507 PolarHBondContact CE1-OD2 3.23Å; H488-D507 IonicContact CG-OD1 2.65Å; H488-D507 IonicContact CG-OD2 2.75Å; H488-D507 IonicContact ND1-OD1 2.94Å; H488-D507 PolarHBondContact ND1-OD1 2.9Å; H488-D507 IonicContact ND1-OD2 3.9Å; H488-D507 PolarHBondContact ND1-OD2 3.31Å
489R92.5Very high74Confident54 Ų5472.9 Ų72.920%0.20438%0.378CS..BIsolated β-bridgetrans-100.4172.7-174.6-48.3-52-63.9-144.2-1.6111.1I459 W460 W486 K487 E498 S499 C500 R502I459-R489 VanDerWaalsContact O-CZ 3.29Å; I459-R489 PolarHBondContact O-NH1 3.43Å; I459-R489 PolarHBondContact O-NH2 3.37Å; W460-R489 PolarHBondContact O-NH1 3.03Å; W486-R489 WeakPolarHBondContact O-CD 3.49Å; W486-R489 PolarHBondContact O-NH1 3.13Å; K487-R489 PolarHBondContact O-N 3.47Å; R489-E498 PolarHBondContact NE-O 3.5Å; R489-E498 PolarHBondContact NH2-O 2.89Å; R489-S499 PolarHBondContact NH2-O 2.61Å; R489-C500 WeakPolarHBondContact CA-O 3.28Å; R489-C500 PolarHBondContact NE-O 3.07Å; R489-R502 WeakPolarHBondContact O-CB 3.42Å
490G87.8Confident76.8Confident7 Ų765.3 Ų65.37%0.07234%0.342CS..SBendtrans-61.6166.8164.200000111.8E440 S492 C497 C500E440-G490 WeakPolarHBondContact OE1-CA 3.49Å; G490-S492 PolarHBondContact O-N 2.71Å; G490-C497 CarbonylContact C-O 3.21Å; G490-C497 WeakPolarHBondContact CA-O 3.43Å; G490-C497 PolarHBondContact N-O 3.08Å; G490-C497 VanDerWaalsContact N-O 3.13Å; G490-C500 PolarHBondContact N-O 3.32Å
491L88Confident79.4Confident69 Ų6960.5 Ų60.536%0.36132%0.317SS..PPolyproline II helixtrans-70.3118.9-177-60.5175.3000110.9P436 E440 D493 L494P436-L491 HydrophobicContact CB-CD1 3.98Å; P436-L491 HydrophobicContact CG-CD1 3.54Å; E440-L491 HydrophobicContact CG-CB 4.25Å; E440-L491 WeakPolarHBondContact OE1-CG 3.46Å; E440-L491 PolarHBondContact OE1-N 2.92Å; L491-D493 VanDerWaalsContact C-N 3.25Å; L491-D493 PolarHBondContact O-N 3.47Å; L491-L494 HydrophobicContact CB-CD1 4.13Å; L491-L494 HydrophobicContact CB-CG 4.39Å; L491-L494 HydrophobicContact CD1-CD1 4.2Å; L491-L494 PolarHBondContact O-N 3.25Å
492S73.5Confident81.7Confident85 Ų8556.5 Ų56.559%0.59429%0.289SS*.THydrogen-bonded Turntrans-61.5-29.1-17549.30000114.2G490 L494G490-S492 PolarHBondContact O-N 2.71Å; S492-L494 PolarHBondContact O-N 3.5Å
493D71.4Confident83.3Confident147 Ų14752.9 Ų52.979%0.78627%0.266SS*.THydrogen-bonded Turntrans-69.9-5.4-177.9-52.5-21.1000111.9L491L491-D493 VanDerWaalsContact C-N 3.25Å; L491-D493 PolarHBondContact O-N 3.47Å
494L64Low84.5Confident35 Ų3551 Ų5118%0.18326%0.256CS..SBendtrans-123.7100-175-47.8175.8000109.3P436 E440 L491 S492 C497P436-L494 HydrophobicContact CB-CD1 4.17Å; E440-L494 HydrophobicContact CB-CB 3.82Å; E440-L494 HydrophobicContact CB-CD1 3.46Å; E440-L494 VanDerWaalsContact CB-CD1 3.46Å; E440-L494 HydrophobicContact CB-CG 4.28Å; E440-L494 HydrophobicContact CG-CB 4.34Å; E440-L494 HydrophobicContact CG-CD1 4.06Å; L491-L494 HydrophobicContact CB-CD1 4.13Å; L491-L494 HydrophobicContact CB-CG 4.39Å; L491-L494 HydrophobicContact CD1-CD1 4.2Å; L491-L494 PolarHBondContact O-N 3.25Å; S492-L494 PolarHBondContact O-N 3.5Å; L494-C497 WeakPolarHBondContact O-CB 3.29Å; L494-C497 PolarHBondContact O-N 2.97Å; L494-C497 PolarHBondContact O-SG 3.3Å
495Y69.4Low85.1Confident79 Ų7954 Ų5431%0.3127%0.269SS..THydrogen-bonded Turntrans26.4100.3168.9-178.6-90.4000116.2R444 A447 C497R444-Y495 HydrophobicContact CG-CG 4.16Å; A447-Y495 HydrophobicContact CB-CD1 3.88Å; A447-Y495 HydrophobicContact CB-CE1 3.24Å; Y495-C497 PolarHBondContact O-N 3.44Å; Y495-C497 PolarHBondContact O-SG 2.87Å
496Q76.8Confident85.3Confident101 Ų10158.2 Ų58.247%0.47228%0.284SS..THydrogen-bonded Turntrans4218.3171.2-65.2-174.4-2.300116L456 E498 S499L456-Q496 HydrophobicContact CD2-CB 4.45Å; L456-Q496 WeakPolarHBondContact CD2-O 3.37Å; Q496-E498 WeakPolarHBondContact CA-OE1 3.34Å; Q496-E498 WeakPolarHBondContact CA-OE2 3.48Å; Q496-E498 PolarHBondContact O-N 3.44Å; Q496-S499 VanDerWaalsContact O-CB 3.24Å; Q496-S499 WeakPolarHBondContact O-CB 3.2Å; Q496-S499 PolarHBondContact O-N 3.5Å; Q496-S499 PolarHBondContact O-OG 3.43Å
497C83Confident85.3Confident0 Ų058.2 Ų58.20%028%0.284CS..G310 helixtrans-78.3-4.3-171.4-76.30000111E440 G490 L494 Y495 S499 C500E440-C497 HydrophobicContact CB-CB 4.33Å; E440-C497 HydrophobicContact CG-CB 3.57Å; E440-C497 VanDerWaalsContact CG-SG 3.57Å; G490-C497 CarbonylContact C-O 3.21Å; G490-C497 WeakPolarHBondContact CA-O 3.43Å; G490-C497 PolarHBondContact N-O 3.08Å; G490-C497 VanDerWaalsContact N-O 3.13Å; L494-C497 WeakPolarHBondContact O-CB 3.29Å; L494-C497 PolarHBondContact O-N 2.97Å; L494-C497 PolarHBondContact O-SG 3.3Å; Y495-C497 PolarHBondContact O-N 3.44Å; Y495-C497 PolarHBondContact O-SG 2.87Å; C497-S499 PolarHBondContact O-N 3.25Å; C497-C500 VanDerWaalsContact O-CB 3.29Å; C497-C500 WeakPolarHBondContact O-CB 3.3Å; C497-C500 PolarHBondContact O-N 2.89Å
498E88.5Confident85.5Confident91 Ų9151.8 Ų51.843%0.42526%0.258SS..G310 helixtrans-54.7-25.5158.967.1-82.7-169.700111.9R489 Q496 C500R489-E498 PolarHBondContact NE-O 3.5Å; R489-E498 PolarHBondContact NH2-O 2.89Å; Q496-E498 WeakPolarHBondContact CA-OE1 3.34Å; Q496-E498 WeakPolarHBondContact CA-OE2 3.48Å; Q496-E498 PolarHBondContact O-N 3.44Å; E498-C500 VanDerWaalsContact C-N 3.27Å; E498-C500 PolarHBondContact O-N 3.26Å
499S91.3Very high85.6Confident8 Ų848.7 Ų48.76%0.05624%0.243CC..G310 helixtrans-67.8-25.3171.9-72.10000113.6T458 I459 R489 Q496 C497T458-S499 PolarHBondContact OG1-OG 3.47Å; I459-S499 PolarHBondContact N-O 3.46Å; R489-S499 PolarHBondContact NH2-O 2.61Å; Q496-S499 VanDerWaalsContact O-CB 3.24Å; Q496-S499 WeakPolarHBondContact O-CB 3.2Å; Q496-S499 PolarHBondContact O-N 3.5Å; Q496-S499 PolarHBondContact O-OG 3.43Å; C497-S499 PolarHBondContact O-N 3.25Å
500C95Very high85.4Confident0 Ų046.5 Ų46.50%024%0.235CC..SBendtrans-81.7161.8178.1-56.40000112R489 G490 C497 E498 F513 I514R489-C500 WeakPolarHBondContact CA-O 3.28Å; R489-C500 PolarHBondContact NE-O 3.07Å; G490-C500 PolarHBondContact N-O 3.32Å; C497-C500 VanDerWaalsContact O-CB 3.29Å; C497-C500 WeakPolarHBondContact O-CB 3.3Å; C497-C500 PolarHBondContact O-N 2.89Å; E498-C500 VanDerWaalsContact C-N 3.27Å; E498-C500 PolarHBondContact O-N 3.26Å; C500-F513 HydrophobicContact CB-CD2 4.47Å; C500-F513 HydrophobicContact CB-CE2 3.53Å; C500-F513 HydrophobicContact CB-CZ 3.71Å; C500-I514 WeakPolarHBondContact CA-O 3.3Å; C500-I514 WeakPolarHBondContact CB-O 3.37Å
501I94.9Very high85.5Confident1 Ų146.4 Ų46.41%0.00523%0.234CC..EExtended strand (participates in β ladder)trans-106.4135173.6-75.8175.4000110F247 I459 W460 W486 F513 I514F247-I501 HydrophobicContact CD2-CG2 4.43Å; F247-I501 HydrophobicContact CE2-CG2 4.39Å; I459-I501 HydrophobicContact CB-CD1 3.87Å; I459-I501 HydrophobicContact CB-CG1 4.12Å; I459-I501 HydrophobicContact CG2-CD1 3.41Å; I459-I501 VanDerWaalsContact CG2-CD1 3.41Å; I459-I501 HydrophobicContact CG2-CG1 4.2Å; W460-I501 HydrophobicContact CB-CD1 4.33Å; W460-I501 HydrophobicContact CD2-CD1 4.04Å; W460-I501 HydrophobicContact CE3-CD1 3.41Å; W460-I501 VanDerWaalsContact CE3-CD1 3.41Å; W460-I501 HydrophobicContact CG-CD1 4.46Å; W460-I501 HydrophobicContact CZ3-CD1 4.02Å; W486-I501 HydrophobicContact CB-CD1 3.8Å; W486-I501 HydrophobicContact CB-CG1 4.25Å; W486-I501 HydrophobicContact CD2-CG2 4.38Å; W486-I501 HydrophobicContact CG-CD1 3.96Å; W486-I501 HydrophobicContact CG-CG1 4.17Å; W486-I501 HydrophobicContact CG-CG2 4.1Å; I501-F513 WeakPolarHBondContact O-CA 3.37Å; I501-I514 HydrophobicContact CB-CG2 3.58Å; I501-I514 HydrophobicContact CG2-CG2 3.91Å; I501-I514 PolarHBondContact N-O 3.11Å; I501-I514 PolarHBondContact O-N 3.04Å
502R94.7Very high85.8Confident38 Ų3843.8 Ų43.814%0.14322%0.22CC..EExtended strand (participates in β ladder)trans-109.6148.5159.6-78.2-177.6166.2-1052.3109.7I434 N439 E440 W486 H488 R489 F512 F513I434-R502 PolarHBondContact O-NH1 3.39Å; I434-R502 PolarHBondContact O-NH2 3.4Å; N439-R502 PolarHBondContact ND2-NH2 3.12Å; E440-R502 VanDerWaalsContact CD-NH2 3.32Å; E440-R502 IonicContact OE1-CZ 3.92Å; E440-R502 IonicContact OE1-NE 3.41Å; E440-R502 PolarHBondContact OE1-NE 3.15Å; E440-R502 IonicContact OE1-NH2 2.74Å; E440-R502 PolarHBondContact OE1-NH2 2.97Å; E440-R502 IonicContact OE2-CZ 3.69Å; E440-R502 IonicContact OE2-NE 2.73Å; E440-R502 IonicContact OE2-NH2 3.92Å; E440-R502 PolarHBondContact OE2-NH2 3.46Å; W486-R502 PolarHBondContact NE1-O 3.15Å; H488-R502 VanDerWaalsContact CB-O 3.3Å; H488-R502 WeakPolarHBondContact CB-O 3.11Å; H488-R502 PolarHBondContact O-N 2.87Å; R489-R502 WeakPolarHBondContact O-CB 3.42Å; R502-F512 CarbonylContact C-O 3.56Å; R502-F512 WeakPolarHBondContact CA-O 3.23Å; R502-F513 HydrophobicContact CG-CD2 3.85Å
503S93.2Very high86.9Confident6 Ų639.7 Ų39.74%0.04219%0.192CC..EExtended strand (participates in β ladder)trans-134.6157.7169.877.40000110.4A244 W486 T509 N510 G511 F512A244-S503 WeakPolarHBondContact CB-OG 3.48Å; W486-S503 VanDerWaalsContact CZ2-CB 3.41Å; S503-T509 WeakPolarHBondContact CB-OG1 3.49Å; S503-T509 PolarHBondContact OG-OG1 3.2Å; S503-T509 VanDerWaalsContact OG-OG1 3.05Å; S503-N510 CarbonylContact C-O 3.59Å; S503-N510 PolarHBondContact OG-O 2.99Å; S503-G511 VanDerWaalsContact O-CA 3.3Å; S503-G511 WeakPolarHBondContact O-CA 3.48Å; S503-F512 PolarHBondContact N-O 3.21Å; S503-F512 PolarHBondContact O-N 2.98Å; S503-F512 VanDerWaalsContact O-N 3.11Å; S503-F512 WeakPolarHBondContact OG-CB 3.26Å
504S90Very high88.2Confident35 Ų3532.7 Ų32.725%0.24515%0.154CC..  trans-157.6-175.1-178.866.30000110.8K506 D507 T509S504-K506 PolarHBondContact O-N 3.45Å; S504-K506 VanDerWaalsContact O-N 3.11Å; S504-K506 PolarHBondContact OG-N 2.94Å; S504-D507 PolarHBondContact N-OD2 3.11Å; S504-D507 WeakPolarHBondContact O-CA 2.99Å; S504-D507 WeakPolarHBondContact O-CB 3.24Å; S504-D507 PolarHBondContact O-N 3.43Å; S504-T509 CarbonylContact C-O 3.57Å; S504-T509 PolarHBondContact N-OG1 3.24Å; S504-T509 PolarHBondContact O-N 2.92Å; S504-T509 PolarHBondContact O-OG1 3.46Å
505E85.7Confident89.8Confident84 Ų8431 Ų3139%0.39315%0.146SC..G310 helixtrans-57.5-28.1174.8-12.1-172.2158.400112.4L156 I371 D507 L508 T509L156-E505 HydrophobicContact CD2-CB 4.22Å; I371-E505 HydrophobicContact CD1-CB 3.73Å; I371-E505 HydrophobicContact CD1-CG 3.32Å; I371-E505 WeakPolarHBondContact CD1-OE1 2.99Å; I371-E505 WeakPolarHBondContact CD1-OE2 3.48Å; I371-E505 VanDerWaalsContact CG1-CD 3.47Å; I371-E505 HydrophobicContact CG1-CG 4.26Å; I371-E505 WeakPolarHBondContact CG1-OE1 3.17Å; E505-D507 PolarHBondContact O-N 2.93Å; E505-L508 WeakPolarHBondContact O-CA 3.4Å; E505-L508 PolarHBondContact O-N 2.83Å; E505-T509 WeakPolarHBondContact CA-O 3.23Å; E505-T509 PolarHBondContact N-O 3.22Å
506K86.1Confident91.1Very high158 Ų15827.5 Ų27.569%0.68713%0.132SC*.G310 helixtrans-60.6-27.6173.4-63.1179.9-179.3175.50111.7R197 S504 L508R197-K506 WeakPolarHBondContact CD-O 3.34Å; R197-K506 PolarHBondContact NH1-O 3.45Å; S504-K506 PolarHBondContact O-N 3.45Å; S504-K506 VanDerWaalsContact O-N 3.11Å; S504-K506 PolarHBondContact OG-N 2.94Å; K506-L508 VanDerWaalsContact C-N 3.34Å
507D89.5Confident92.2Very high3 Ų322.8 Ų22.82%0.01611%0.11CC..G310 helixtrans-92.96.8175.5-60.1-56.3000113.8Y193 W486 H488 S504 E505 T509Y193-D507 PolarHBondContact OH-O 2.98Å; W486-D507 HydrophobicContact CH2-CB 3.61Å; W486-D507 HydrophobicContact CZ2-CB 3.59Å; W486-D507 VanDerWaalsContact CZ2-CG 3.41Å; H488-D507 IonicContact CE1-OD1 3.61Å; H488-D507 PolarHBondContact CE1-OD1 2.95Å; H488-D507 IonicContact CE1-OD2 2.59Å; H488-D507 PolarHBondContact CE1-OD2 3.23Å; H488-D507 IonicContact CG-OD1 2.65Å; H488-D507 IonicContact CG-OD2 2.75Å; H488-D507 IonicContact ND1-OD1 2.94Å; H488-D507 PolarHBondContact ND1-OD1 2.9Å; H488-D507 IonicContact ND1-OD2 3.9Å; H488-D507 PolarHBondContact ND1-OD2 3.31Å; S504-D507 PolarHBondContact N-OD2 3.11Å; S504-D507 WeakPolarHBondContact O-CA 2.99Å; S504-D507 WeakPolarHBondContact O-CB 3.24Å; S504-D507 PolarHBondContact O-N 3.43Å; E505-D507 PolarHBondContact O-N 2.93Å; D507-T509 HydrophobicContact CB-CG2 4.25Å; D507-T509 PolarHBondContact O-N 3.33Å
508L91.1Very high92.9Very high21 Ų2123.8 Ų23.811%0.1112%0.115CC..THydrogen-bonded Turntrans58.534.2-169.2-51.3179.3000112P157 Y159 R197 V200 E505 K506P157-L508 HydrophobicContact CG-CB 3.87Å; P157-L508 HydrophobicContact CG-CD1 4.44Å; Y159-L508 WeakPolarHBondContact CE2-O 3.48Å; Y159-L508 PolarHBondContact OH-O 3.23Å; R197-L508 HydrophobicContact CB-CD1 3.88Å; R197-L508 HydrophobicContact CB-CG 4.43Å; R197-L508 HydrophobicContact CG-CD1 3.79Å; R197-L508 HydrophobicContact CG-CG 4.08Å; V200-L508 HydrophobicContact CB-CD1 3.86Å; V200-L508 HydrophobicContact CG1-CD1 3.77Å; V200-L508 HydrophobicContact CG2-CD1 4.47Å; E505-L508 WeakPolarHBondContact O-CA 3.4Å; E505-L508 PolarHBondContact O-N 2.83Å; K506-L508 VanDerWaalsContact C-N 3.34Å
509T91.4Very high93.3Very high0 Ų022.4 Ų22.40%011%0.108CC..SBendtrans-127.7175.5175.566.60000110.8K243 A244 W486 S503 S504 E505 D507K243-T509 HydrophobicContact CB-CG2 3.86Å; K243-T509 HydrophobicContact CD-CG2 3.9Å; K243-T509 HydrophobicContact CG-CG2 4.06Å; A244-T509 HydrophobicContact CB-CG2 4.44Å; W486-T509 HydrophobicContact CH2-CG2 4.21Å; S503-T509 WeakPolarHBondContact CB-OG1 3.49Å; S503-T509 PolarHBondContact OG-OG1 3.2Å; S503-T509 VanDerWaalsContact OG-OG1 3.05Å; S504-T509 CarbonylContact C-O 3.57Å; S504-T509 PolarHBondContact N-OG1 3.24Å; S504-T509 PolarHBondContact O-N 2.92Å; S504-T509 PolarHBondContact O-OG1 3.46Å; E505-T509 WeakPolarHBondContact CA-O 3.23Å; E505-T509 PolarHBondContact N-O 3.22Å; D507-T509 HydrophobicContact CB-CG2 4.25Å; D507-T509 PolarHBondContact O-N 3.33Å
510N87.7Confident93.5Very high8 Ų827.7 Ų27.74%0.04313%0.127CC..  trans-69.4165.4163.8-63.4-39.8000111L156 D242 G368 L369 R372 S503 F512L156-N510 WeakPolarHBondContact CD1-OD1 3.37Å; D242-N510 WeakPolarHBondContact CB-ND2 3.28Å; D242-N510 PolarHBondContact OD1-ND2 3.19Å; D242-N510 PolarHBondContact OD2-N 3.31Å; D242-N510 PolarHBondContact OD2-ND2 3.37Å; G368-N510 WeakPolarHBondContact O-CB 3.43Å; L369-N510 HydrophobicContact CD2-CB 3.88Å; L369-N510 WeakPolarHBondContact CD2-ND2 3.45Å; R372-N510 WeakPolarHBondContact CD-OD1 3.43Å; R372-N510 PolarHBondContact NE-OD1 3.03Å; S503-N510 CarbonylContact C-O 3.59Å; S503-N510 PolarHBondContact OG-O 2.99Å; N510-F512 PolarHBondContact O-N 3.48Å
511G89.7Confident93.2Very high5 Ų536.9 Ų36.95%0.05217%0.167CC..SBendtrans-61.2119.216400000110.6G368 C432 S503G368-G511 WeakPolarHBondContact CA-O 3.47Å; G368-G511 PolarHBondContact O-N 3.43Å; C432-G511 CarbonylContact C-O 3.57Å; S503-G511 VanDerWaalsContact O-CA 3.3Å; S503-G511 WeakPolarHBondContact O-CA 3.48Å
512F94.9Very high92.2Very high14 Ų1441.5 Ų41.56%0.06120%0.2CC..EExtended strand (participates in β ladder)trans-149.8150.8-176.6-157.4-104.2000110.5A244 S430 T431 C432 R502 S503 N510 I514A244-F512 HydrophobicContact CB-CB 3.59Å; A244-F512 HydrophobicContact CB-CD1 3.95Å; A244-F512 HydrophobicContact CB-CD2 4.48Å; A244-F512 HydrophobicContact CB-CG 3.78Å; A244-F512 WeakPolarHBondContact O-CE1 3.1Å; S430-F512 VanDerWaalsContact CB-CZ 3.45Å; T431-F512 CarbonylContact O-C 3.59Å; T431-F512 VanDerWaalsContact O-CA 3.3Å; T431-F512 WeakPolarHBondContact O-CA 3.44Å; T431-F512 WeakPolarHBondContact O-CD2 3.32Å; T431-F512 WeakPolarHBondContact O-CE2 3.35Å; T431-F512 WeakPolarHBondContact O-CG 3.36Å; C432-F512 HydrophobicContact CB-CD2 4.48Å; R502-F512 CarbonylContact C-O 3.56Å; R502-F512 WeakPolarHBondContact CA-O 3.23Å; S503-F512 PolarHBondContact N-O 3.21Å; S503-F512 PolarHBondContact O-N 2.98Å; S503-F512 VanDerWaalsContact O-N 3.11Å; S503-F512 WeakPolarHBondContact OG-CB 3.26Å; N510-F512 PolarHBondContact O-N 3.48Å; F512-I514 HydrophobicContact CE1-CB 4.35Å
513F97.1Very high90.3Very high0 Ų047.5 Ų47.50%024%0.235CC..EExtended strand (participates in β ladder)trans-131.8143.4175.2175.2-97.3000109.9Y429 S430 T431 N439 E440 V443 C500 I501 R502 A515Y429-F513 HydrophobicContact CD1-CD1 4.29Å; Y429-F513 AromaticContact CD1-CE1 3.98Å; Y429-F513 HydrophobicContact CD1-CE1 3.98Å; Y429-F513 HydrophobicContact CE1-CD1 4.16Å; Y429-F513 HydrophobicContact CE1-CE1 4.02Å; S430-F513 CarbonylContact C-O 3.57Å; S430-F513 WeakPolarHBondContact CA-O 3.42Å; S430-F513 WeakPolarHBondContact CB-O 3.25Å; T431-F513 PolarHBondContact N-O 3.43Å; T431-F513 PolarHBondContact O-N 3.42Å; N439-F513 HydrophobicContact CB-CB 4.17Å; N439-F513 HydrophobicContact CB-CD1 3.66Å; N439-F513 HydrophobicContact CB-CD2 3.82Å; N439-F513 HydrophobicContact CB-CE1 3.91Å; N439-F513 HydrophobicContact CB-CE2 4.05Å; N439-F513 HydrophobicContact CB-CG 3.61Å; N439-F513 HydrophobicContact CB-CZ 4.09Å; N439-F513 VanDerWaalsContact CG-CB 3.42Å; N439-F513 VanDerWaalsContact CG-CG 3.43Å; N439-F513 VanDerWaalsContact ND2-CB 3.33Å; N439-F513 WeakPolarHBondContact ND2-CB 3.33Å; N439-F513 WeakPolarHBondContact OD1-CB 3.48Å; E440-F513 HydrophobicContact CG-CE2 4.21Å; V443-F513 HydrophobicContact CG2-CE1 3.59Å; V443-F513 HydrophobicContact CG2-CZ 3.75Å; C500-F513 HydrophobicContact CB-CD2 4.47Å; C500-F513 HydrophobicContact CB-CE2 3.53Å; C500-F513 HydrophobicContact CB-CZ 3.71Å; I501-F513 WeakPolarHBondContact O-CA 3.37Å; R502-F513 HydrophobicContact CG-CD2 3.85Å; F513-A515 HydrophobicContact CE1-CB 4.18Å; F513-A515 HydrophobicContact CZ-CB 4.39Å
514I97.8Very high87.7Confident0 Ų054.4 Ų54.40%027%0.271CS..EExtended strand (participates in β ladder)trans-147.4139176.3-174.4155.4000111.9F247 I251 V428 Y429 I459 C500 I501 F512F247-I514 HydrophobicContact CB-CD1 4.11Å; I251-I514 HydrophobicContact CB-CD1 4.47Å; I251-I514 HydrophobicContact CD1-CD1 3.53Å; I251-I514 HydrophobicContact CD1-CG1 4Å; I251-I514 HydrophobicContact CD1-CG2 3.91Å; V428-I514 HydrophobicContact CG1-CD1 3.53Å; V428-I514 HydrophobicContact CG1-CG1 3.84Å; Y429-I514 CarbonylContact O-C 3.53Å; Y429-I514 VanDerWaalsContact O-CA 3.26Å; Y429-I514 WeakPolarHBondContact O-CA 3.43Å; Y429-I514 WeakPolarHBondContact O-CG1 3.39Å; I459-I514 HydrophobicContact CD1-CG1 4.41Å; I459-I514 HydrophobicContact CD1-CG2 4.22Å; C500-I514 WeakPolarHBondContact CA-O 3.3Å; C500-I514 WeakPolarHBondContact CB-O 3.37Å; I501-I514 HydrophobicContact CB-CG2 3.58Å; I501-I514 HydrophobicContact CG2-CG2 3.91Å; I501-I514 PolarHBondContact N-O 3.11Å; I501-I514 PolarHBondContact O-N 3.04Å; F512-I514 HydrophobicContact CE1-CB 4.35Å
515A97.9Very high85.2Confident0 Ų058 Ų580%030%0.297CS..EExtended strand (participates in β ladder)trans-130.4150.2176.500000110.1V428 Y429 V443 L456 F513 F517V428-A515 WeakPolarHBondContact CA-O 3.5Å; Y429-A515 PolarHBondContact N-O 3.33Å; Y429-A515 PolarHBondContact O-N 3.43Å; V443-A515 HydrophobicContact CG1-CB 4.46Å; V443-A515 HydrophobicContact CG2-CB 3.67Å; L456-A515 HydrophobicContact CD1-CB 4.05Å; F513-A515 HydrophobicContact CE1-CB 4.18Å; F513-A515 HydrophobicContact CZ-CB 4.39Å; A515-F517 HydrophobicContact CB-CE2 4.38Å
516L98Very high82.6Confident5 Ų561.7 Ų61.73%0.02632%0.318CS..EExtended strand (participates in β ladder)trans-128.4121.5179.4171.863.8000109.2I251 V428 E457 I459 I518I251-L516 HydrophobicContact CG2-CB 3.91Å; I251-L516 HydrophobicContact CG2-CD1 4.38Å; I251-L516 HydrophobicContact CG2-CD2 3.82Å; I251-L516 HydrophobicContact CG2-CG 4.25Å; V428-L516 HydrophobicContact CG2-CD1 3.69Å; E457-L516 HydrophobicContact CB-CB 4.41Å; E457-L516 HydrophobicContact CB-CD2 3.88Å; E457-L516 HydrophobicContact CB-CG 4Å; E457-L516 HydrophobicContact CG-CD2 3.83Å; E457-L516 PolarHBondContact N-O 2.91Å; I459-L516 HydrophobicContact CD1-CB 4.04Å; I459-L516 HydrophobicContact CG1-CB 3.9Å; L516-I518 HydrophobicContact CD1-CG1 4.33Å; L516-I518 HydrophobicContact CD2-CD1 4.14Å; L516-I518 HydrophobicContact CD2-CG1 4.34Å; L516-I518 HydrophobicContact CG-CD1 4.44Å; L516-I518 HydrophobicContact CG-CG1 4.09Å
517F98.2Very high80Confident1 Ų161.6 Ų61.60%0.00433%0.325CS..EExtended strand (participates in β ladder)trans-104.7134.5171.9-65.6-92.2000110.1F419 R426 V427 V443 I446 A447 V450 F454 Y455 L456 A515F419-F517 HydrophobicContact CE1-CB 3.83Å; F419-F517 HydrophobicContact CE1-CG 4.25Å; F419-F517 HydrophobicContact CZ-CB 3.63Å; F419-F517 HydrophobicContact CZ-CD1 4.13Å; F419-F517 AromaticContact CZ-CD2 3.81Å; F419-F517 HydrophobicContact CZ-CD2 3.81Å; F419-F517 HydrophobicContact CZ-CE2 4.47Å; F419-F517 AromaticContact CZ-CG 3.59Å; F419-F517 HydrophobicContact CZ-CG 3.59Å; R426-F517 WeakPolarHBondContact CA-O 3.31Å; V427-F517 HydrophobicContact CB-CB 4.4Å; V427-F517 PolarHBondContact N-O 3.32Å; V427-F517 PolarHBondContact O-N 2.95Å; V443-F517 HydrophobicContact CG1-CZ 3.97Å; I446-F517 HydrophobicContact CB-CZ 4.29Å; I446-F517 HydrophobicContact CG2-CE1 4.2Å; I446-F517 HydrophobicContact CG2-CE2 4.25Å; I446-F517 HydrophobicContact CG2-CZ 3.83Å; A447-F517 HydrophobicContact CB-CE1 3.94Å; V450-F517 HydrophobicContact CG2-CD1 4.28Å; V450-F517 HydrophobicContact CG2-CE1 4.46Å; F454-F517 HydrophobicContact CD1-CB 4.47Å; Y455-F517 WeakPolarHBondContact O-CA 3.4Å; L456-F517 HydrophobicContact CD1-CD1 4.36Å; L456-F517 HydrophobicContact CD1-CE1 4.07Å; L456-F517 HydrophobicContact CD1-CE2 4.29Å; L456-F517 HydrophobicContact CD1-CZ 4.05Å; A515-F517 HydrophobicContact CB-CE2 4.38Å
518I97.5Very high77.4Confident22 Ų2268 Ų6811%0.11336%0.364CS..EExtended strand (participates in β ladder)trans-123.4136.8178-62-179.3000109.5Q425 F454 Y455 E457 L516Q425-I518 CarbonylContact O-C 3.54Å; Q425-I518 WeakPolarHBondContact O-CA 3.46Å; F454-I518 CarbonylContact C-O 3.4Å; F454-I518 WeakPolarHBondContact CA-O 3.47Å; F454-I518 VanDerWaalsContact CD1-C 3.45Å; Y455-I518 HydrophobicContact CD1-CB 4.38Å; Y455-I518 VanDerWaalsContact CD1-O 3.22Å; Y455-I518 WeakPolarHBondContact CD1-O 3.46Å; Y455-I518 HydrophobicContact CE1-CB 3.71Å; Y455-I518 HydrophobicContact CE1-CG2 3.74Å; Y455-I518 HydrophobicContact CE2-CB 4.47Å; Y455-I518 PolarHBondContact N-O 3.31Å; Y455-I518 PolarHBondContact O-N 3.2Å; E457-I518 HydrophobicContact CB-CD1 3.63Å; E457-I518 HydrophobicContact CB-CG1 3.98Å; E457-I518 HydrophobicContact CG-CD1 3.59Å; E457-I518 HydrophobicContact CG-CG1 4.47Å; E457-I518 WeakPolarHBondContact OE2-CD1 3.39Å; L516-I518 HydrophobicContact CD1-CG1 4.33Å; L516-I518 HydrophobicContact CD2-CD1 4.14Å; L516-I518 HydrophobicContact CD2-CG1 4.34Å; L516-I518 HydrophobicContact CG-CD1 4.44Å; L516-I518 HydrophobicContact CG-CG1 4.09Å
519K97.3Very high74.6Confident62 Ų6273 Ų7327%0.2740%0.395SS..EExtended strand (participates in β ladder)trans-68.9138.3175.4-165.4176.1-174.7170.30110.2P422 V424 Q425 K453 F454 K521P422-K519 PolarHBondContact O-NZ 2.99Å; V424-K519 WeakPolarHBondContact O-CD 3.33Å; Q425-K519 PolarHBondContact O-N 3.15Å; K453-K519 CarbonylContact O-C 3.53Å; K453-K519 WeakPolarHBondContact O-CA 3.26Å; K453-K519 WeakPolarHBondContact O-CG 3.47Å; F454-K519 VanDerWaalsContact CD1-CA 3.49Å; F454-K519 HydrophobicContact CD1-CB 3.88Å; F454-K519 VanDerWaalsContact CD1-N 3.27Å; F454-K519 HydrophobicContact CE1-CB 3.54Å; F454-K519 HydrophobicContact CE1-CG 4.1Å; F454-K519 HydrophobicContact CE2-CG 4.4Å; F454-K519 HydrophobicContact CZ-CB 3.95Å; F454-K519 HydrophobicContact CZ-CD 4.2Å; F454-K519 HydrophobicContact CZ-CG 4Å; K519-K521 PolarHBondContact O-N 3.06Å
520Y95.7Very high71.8Confident119 Ų11978.9 Ų78.947%0.46744%0.436SS..PPolyproline II helixtrans-60.1139.6171.1-66.9-68.5000110.7S451 K453 Y455 S522S451-Y520 WeakPolarHBondContact O-CE2 3.4Å; K453-Y520 WeakPolarHBondContact O-CD2 3.36Å; K453-Y520 PolarHBondContact O-N 3.37Å; Y455-Y520 AromaticContact CD1-CD1 3.74Å; Y455-Y520 HydrophobicContact CD1-CD1 3.74Å; Y455-Y520 AromaticContact CD1-CE1 3.65Å; Y455-Y520 HydrophobicContact CD1-CE1 3.65Å; Y455-Y520 HydrophobicContact CD1-CG 4.43Å; Y455-Y520 HydrophobicContact CE1-CD1 4.41Å; Y455-Y520 HydrophobicContact CG-CE1 4.02Å; Y520-S522 PolarHBondContact O-N 3.44Å
521K87.9Confident69.3Low192 Ų19283.9 Ų83.984%0.83547%0.472SS*.PPolyproline II helixtrans-67.8127.9168.2-66-176.7179.7179.20107.9K519 N523K519-K521 PolarHBondContact O-N 3.06Å; K521-N523 PolarHBondContact O-N 2.85Å
522S74.1Confident66.7Low99 Ų9989.2 Ų89.269%0.69251%0.509SS*.PPolyproline II helixtrans-63.5124.6173.151.30000109.6Y520 N524Y520-S522 PolarHBondContact O-N 3.44Å; S522-N524 PolarHBondContact O-N 2.88Å
523N54.9Low64.1Low163 Ų16394.4 Ų94.487%0.87255%0.547SS*.  trans-70.136.9173.7-79.4-12.3000113.5K521 S525K521-N523 PolarHBondContact O-N 2.85Å; N523-S525 PolarHBondContact O-N 3.4Å
524N40.4Very low61.2Low151 Ų15199.4 Ų99.481%0.80759%0.588SS**  trans-101.570.6177.6-863.2000110.6S522S522-N524 PolarHBondContact O-N 2.88Å
525S35.6Very low58.2Low112 Ų112104.1 Ų104.178%0.78363%0.627SS**  trans-156.153.4161.859.20000110.9N523N523-S525 PolarHBondContact O-N 3.4Å
526L32.8Very low55.2Low160 Ų160108.9 Ų108.984%0.83867%0.667SS**SBendtrans-139.4122.7156.8-76167.5000105.7
527N30.6Very low52.3Low157 Ų157113.2 Ų113.284%0.8470%0.703SS**  trans81.671.1176.8-55.4-16.5000118.6
528V34.7Very low49.3Very low136 Ų136117.4 Ų117.482%0.82474%0.738SS**  trans-140.893.4147.2-177.70000109.9
529T31.7Very low46.4Very low126 Ų126121.6 Ų121.677%0.77377%0.769SS**  trans49.7102.8145.958.90000120.8
530S33.6Very low43.7Very low124 Ų124123.7 Ų123.787%0.86779%0.791SS**  trans-109.985.7147.958.30000109.5
531S34.2Very low41Very low113 Ų113123.1 Ų123.179%0.7981%0.805SS**  trans-16990.916157.80000111
532S36.6Very low38.7Very low118 Ų118118.7 Ų118.783%0.82580%0.798SS**  trans-14181.1160.352.30000109.2
533S39.2Very low37.1Very low123 Ų123119.5 Ų119.586%0.8680%0.804SS**  trans178.195.7153.636.60000110.2
534A37.1Very low36.2Very low104 Ų104117.8 Ų117.886%0.8680%0.801SS**  trans178.9110.4143.200000108.4
535A34.8Very low36Very low99 Ų99116.5 Ų116.582%0.81880%0.804SS**  trans-80.1153.8173.500000111.1
536A34.9Very low35.8Very low101 Ų101116.5 Ų116.584%0.83580%0.804SS**  trans73.4106.9156.200000118.8
537A36.7Very low35.9Very low96 Ų96114.8 Ų114.879%0.79381%0.806SS**  160.5137103.300000112.8
538A36.1Very low35.8Very low89 Ų89113.2 Ų113.274%0.73680%0.801SS**  trans58.399.7149.100000118.9
539S35.6Very low35.7Very low109 Ų109113.5 Ų113.576%0.76280%0.804SS**  72.8109.285.771.20000115.6
540S40.4Very low35.5Very low106 Ų106112.9 Ų112.974%0.74180%0.799SS**  144.2126.6120.967.50000114.3
541S39.8Very low35.5Very low108 Ų108113.8 Ų113.876%0.75580%0.8SS**  trans59.4141.4146.859.30000119.3
542S39.4Very low35.4Very low99 Ų99111.4 Ų111.469%0.69279%0.794SS**  cis178.7143.92.344.20000108.3
543S40.7Very low35.2Very low115 Ų115111 Ų11180%0.80479%0.791SS**  trans77.2131.1146-46.20000122.1
544P35.7Very low34.8Very low127 Ų127112.2 Ų112.283%0.82579%0.788SS**  trans-105.4160.7178.839.9-31.7000113.8
545S37Very low34.2Very low124 Ų124114 Ų11487%0.86779%0.787SS**  trans-157.4143.9153.6570000112.9
546S30.9Very low34Very low112 Ų112117.1 Ų117.178%0.78379%0.79SS**  trans-71.7153.4-173.449.30000115.5
547S33.9Very low33.7Very low125 Ų125119.9 Ų119.987%0.87479%0.785SS**  -173.4140.9127.637.50000112.9
548V29.3Very low33.3Very low123 Ų123123.2 Ų123.275%0.74579%0.789SS**  trans-84.1139.4-179.2167.80000110
549V31.9Very low32.8Very low143 Ų143124.8 Ų124.887%0.86779%0.79SS**  trans-148.3127.6144.5-178.80000110.6
550T28.2Very low32.5Very low112 Ų112125.6 Ų125.669%0.68780%0.795SS**  trans-89.7152176.6-43.90000111.4
551T34.1Very low31.8Very low143 Ų143127.5 Ų127.588%0.87780%0.796SS**  trans157.7138.9143.639.10000108.5
552G30.9Very low31.2Very low64 Ų64130.8 Ų130.866%0.6680%0.804SS**  cis176.5169.5-2.100000110.7
553S32.4Very low30.5Very low110 Ų110134 Ų13477%0.76981%0.808SS**  trans77.8138.5153-44.30000119.6
554N30.7Very low30Very low148 Ų148136.2 Ų136.279%0.79181%0.811SS**  cis-164.1136.9-9-97.6-27000108.5
555V25Very low29.5Very low140 Ų140136.5 Ų136.585%0.84881%0.806SS**  trans-116.9127.1165.3171.80000107.3
556L30.5Very low29.1Very low166 Ų166137 Ų13787%0.86980%0.799SS**  trans-108.3112.4174.1-87.6162.2000110
557H28Very low28.8Very low159 Ų159137.7 Ų137.774%0.73679%0.794SS**  trans-92138.5161.4-121.1-36.2000108
558N28.9Very low28.4Very low165 Ų165138.4 Ų138.488%0.88279%0.788SS**  trans-129.2111.8159.6-101.5-10.2000109
559T25.7Very low28.2Very low122 Ų122138.9 Ų138.975%0.74879%0.791SS**  trans-113.2128.616328.10000107.3
560S29.8Very low27.8Very low126 Ų126139 Ų13988%0.88179%0.792SS**  trans-108.8123.3166.350.50000109.7
561I24.3Very low27.5Very low147 Ų147137.8 Ų137.875%0.75479%0.793SS**  trans-85.7134.2171.6-70.7157.7000107.9Q563I561-Q563 HydrophobicContact CG2-CG 4.37Å
562L28.6Very low26.9Very low177 Ų177136.1 Ų136.193%0.92779%0.788SS**  trans-133.6113.3150.9-90167.8000108.6
563Q24.3Very low26.6Very low165 Ų165140.6 Ų140.677%0.77180%0.795SS**  trans-68.9139.3166-72.1172.8-36.400109.4I561I561-Q563 HydrophobicContact CG2-CG 4.37Å
564N29.3Very low26.1Very low162 Ų162140.4 Ų140.487%0.86679%0.789SS**  -155.4148.2129.7-123-17000113.6
565N26.3Very low25.8Very low134 Ų134139.4 Ų139.472%0.71779%0.788SS**  trans-81.9161.4-159.2-84.2-32.7000115.6
566N27.4Very low25.7Very low134 Ų134138.7 Ų138.772%0.71778%0.779SS**  trans97.2121.1138.5-76.2-7.7000121.1
567N26.5Very low25.4Very low127 Ų127135.2 Ų135.268%0.67977%0.769SS**  trans101.3101.7137.2-63.1-10000118.7
568N25.2Very low25.2Very low140 Ų140134.3 Ų134.375%0.74977%0.769SS**  101.8133.1122.8-70.8-14.5000119.9
569T24.7Very low25Very low132 Ų132132.8 Ų132.881%0.8176%0.761SS**  trans79.481.4160.253.80000118A571T569-A571 PolarHBondContact O-N 3.1Å
570T22.4Very low25.2Very low147 Ų147135.9 Ų135.990%0.90277%0.767SS**  trans-55.2102.9148.543.90000110.6
571A23.2Very low25.1Very low85 Ų85136.5 Ų136.570%0.70276%0.761SS**  trans-10298.9164.200000108.8T569 I573T569-A571 PolarHBondContact O-N 3.1Å; A571-I573 PolarHBondContact O-N 3.48Å
572S21.7Very low25.6Very low109 Ų109137.4 Ų137.476%0.76276%0.764SS**  trans-59.1106.716337.90000109.5V574S572-V574 PolarHBondContact O-N 3.22Å; S572-V574 VanDerWaalsContact O-N 3.11Å
573I23.9Very low26.3Very low157 Ų157132.7 Ų132.781%0.80574%0.739SS**  trans-81.493.3167-62.9177.1000107.1A571 V575A571-I573 PolarHBondContact O-N 3.48Å; I573-V575 PolarHBondContact O-N 3.35Å; I573-V575 VanDerWaalsContact O-N 3.14Å
574V21.8Very low26.9Very low107 Ų107130 Ų13065%0.64873%0.73SS**  trans-51.7111.5160175.50000107.5S572 N576S572-V574 PolarHBondContact O-N 3.22Å; S572-V574 VanDerWaalsContact O-N 3.11Å; V574-N576 VanDerWaalsContact C-N 3.27Å; V574-N576 PolarHBondContact O-N 2.85Å
575V24.2Very low27.4Very low127 Ų127127.5 Ų127.577%0.7772%0.716SS**  trans-6796.6163.4176.10000105.4I573 S577I573-V575 PolarHBondContact O-N 3.35Å; I573-V575 VanDerWaalsContact O-N 3.14Å; V575-S577 VanDerWaalsContact C-N 3.3Å; V575-S577 PolarHBondContact O-N 2.94Å
576N22.5Very low28.3Very low125 Ų125128.2 Ų128.267%0.66871%0.713SS**  trans-66.696.6175.3-13712.2000107.5V574 N578V574-N576 VanDerWaalsContact C-N 3.27Å; V574-N576 PolarHBondContact O-N 2.85Å; N576-N578 PolarHBondContact O-N 3.46Å
577S23.9Very low28.9Very low93 Ų93126.1 Ų126.165%0.6570%0.699SS**  trans-69.771.3169.652.20000109.3V575 N579V575-S577 VanDerWaalsContact C-N 3.3Å; V575-S577 PolarHBondContact O-N 2.94Å; S577-N579 VanDerWaalsContact C-N 3.28Å; S577-N579 PolarHBondContact O-N 2.87Å
578N24.9Very low29.9Very low139 Ų139124.3 Ų124.374%0.74369%0.687SS**  trans-8686.2160.2-77.9-7.7000107.7N576 E580N576-N578 PolarHBondContact O-N 3.46Å; N578-E580 PolarHBondContact O-N 3.22Å
579N25.3Very low31.1Very low134 Ų134122.2 Ų122.272%0.71768%0.675SS**  trans-46.1100.9159.4-88.1-26.5000110.1S577S577-N579 VanDerWaalsContact C-N 3.28Å; S577-N579 PolarHBondContact O-N 2.87Å
580E28.3Very low32.1Very low186 Ų186118.5 Ų118.587%0.86965%0.647SS**  trans-94.996.2140.5-77.5-166.8165.700106.8N578 M582N578-E580 PolarHBondContact O-N 3.22Å; E580-M582 VanDerWaalsContact C-N 3.28Å; E580-M582 PolarHBondContact O-N 3.35Å
581N28.6Very low33.1Very low140 Ų140112.5 Ų112.575%0.74961%0.61SS**  trans-51.696.6162.6-85.5-32.4000108.2N583N581-N583 PolarHBondContact O-N 2.91Å
582M35.5Very low34.4Very low166 Ų166114.5 Ų114.582%0.81860%0.604SS**  trans-66.791.9166.2-94.3-119.4-68.100108E580 L584E580-M582 VanDerWaalsContact C-N 3.28Å; E580-M582 PolarHBondContact O-N 3.35Å; M582-L584 PolarHBondContact O-N 3.37Å
583N41.9Very low35.8Very low78 Ų78115.4 Ų115.442%0.41759%0.594SS.*  trans-3.396.9165.2-153.4-7.7000114.7N581 D585 K586N581-N583 PolarHBondContact O-N 2.91Å; N583-D585 PolarHBondContact O-N 3.36Å; N583-D585 WeakPolarHBondContact OD1-CB 3.24Å; N583-K586 HydrophobicContact CB-CB 4.42Å; N583-K586 HydrophobicContact CB-CD 4.26Å; N583-K586 HydrophobicContact CB-CG 4.13Å; N583-K586 WeakPolarHBondContact O-CB 3.41Å; N583-K586 PolarHBondContact O-N 2.69Å
584L38.3Very low36.9Very low108 Ų108108.5 Ų108.557%0.56556%0.558SS**Hα-helixtrans-48.8-33173.7-91.4105.9000111.6M582 K586 Q587 E588M582-L584 PolarHBondContact O-N 3.37Å; L584-K586 VanDerWaalsContact C-N 3.29Å; L584-K586 PolarHBondContact O-N 3.45Å; L584-Q587 WeakPolarHBondContact O-CB 3.27Å; L584-Q587 PolarHBondContact O-N 3.37Å; L584-E588 PolarHBondContact O-N 2.95Å
585D39.1Very low38Very low109 Ų109108.6 Ų108.658%0.58355%0.547SS*.Hα-helixtrans-62.3-33.1177.3-64.3-17.4000112.9N583 Q587 L589N583-D585 PolarHBondContact O-N 3.36Å; N583-D585 WeakPolarHBondContact OD1-CB 3.24Å; D585-Q587 VanDerWaalsContact C-N 3.35Å; D585-L589 WeakPolarHBondContact O-CB 3.29Å; D585-L589 PolarHBondContact O-N 3.38Å
586K45.1Very low39Very low149 Ų149109 Ų10965%0.64854%0.539SS*.Hα-helixtrans-71.8-33.1175.3-73.6-176.3179175.70111.3N583 L584 F590N583-K586 HydrophobicContact CB-CB 4.42Å; N583-K586 HydrophobicContact CB-CD 4.26Å; N583-K586 HydrophobicContact CB-CG 4.13Å; N583-K586 WeakPolarHBondContact O-CB 3.41Å; N583-K586 PolarHBondContact O-N 2.69Å; L584-K586 VanDerWaalsContact C-N 3.29Å; L584-K586 PolarHBondContact O-N 3.45Å; K586-F590 WeakPolarHBondContact O-CB 3.28Å; K586-F590 PolarHBondContact O-N 3.49Å
587Q40.7Very low40Very low91 Ų91108.4 Ų108.443%0.42553%0.53SS..Hα-helixtrans-75.4-40.5179.1-153.1167.93.500111L584 D585 F590 T591L584-Q587 WeakPolarHBondContact O-CB 3.27Å; L584-Q587 PolarHBondContact O-N 3.37Å; D585-Q587 VanDerWaalsContact C-N 3.35Å; Q587-F590 PolarHBondContact O-N 2.79Å; Q587-T591 WeakPolarHBondContact O-CB 3.38Å; Q587-T591 PolarHBondContact O-N 3.12Å; Q587-T591 PolarHBondContact O-OG1 2.7Å
588E46.4Very low40.7Very low89 Ų89105.8 Ų105.842%0.41651%0.511SS..Hα-helixtrans-65.6-45.5171.7-74-159.4151.600111.9N316 L584 F590 T591 F592N316-E588 PolarHBondContact ND2-OE1 2.85Å; L584-E588 PolarHBondContact O-N 2.95Å; E588-F590 VanDerWaalsContact C-N 3.27Å; E588-F590 PolarHBondContact O-N 3.46Å; E588-T591 PolarHBondContact O-N 3.19Å; E588-F592 VanDerWaalsContact O-CB 3.28Å; E588-F592 WeakPolarHBondContact O-CB 3.4Å; E588-F592 PolarHBondContact O-N 2.95Å
589L50.5Low41.5Very low95 Ų95105.7 Ų105.750%0.49750%0.501SS..Hα-helixtrans-62.9-35.4176.6-170.371.8000111.7D585 K593D585-L589 WeakPolarHBondContact O-CB 3.29Å; D585-L589 PolarHBondContact O-N 3.38Å; L589-K593 WeakPolarHBondContact O-CB 3.36Å; L589-K593 VanDerWaalsContact O-CG 3.26Å; L589-K593 WeakPolarHBondContact O-CG 3.25Å; L589-K593 PolarHBondContact O-N 3.26Å
590F45.5Very low42.4Very low54 Ų54103.7 Ų103.724%0.23749%0.493CS..Hα-helixtrans-69-46.9175.3-176.5-101.8000111.8P291 R295 K586 Q587 E588 F592 K593 I594P291-F590 HydrophobicContact CB-CD1 4.32Å; P291-F590 HydrophobicContact CB-CE1 3.62Å; P291-F590 HydrophobicContact CB-CZ 3.91Å; R295-F590 HydrophobicContact CB-CZ 4.48Å; K586-F590 WeakPolarHBondContact O-CB 3.28Å; K586-F590 PolarHBondContact O-N 3.49Å; Q587-F590 PolarHBondContact O-N 2.79Å; E588-F590 VanDerWaalsContact C-N 3.27Å; E588-F590 PolarHBondContact O-N 3.46Å; F590-F592 VanDerWaalsContact C-N 3.3Å; F590-F592 PolarHBondContact O-N 3.45Å; F590-K593 PolarHBondContact O-N 2.86Å; F590-I594 HydrophobicContact CD1-CD1 3.84Å; F590-I594 HydrophobicContact CE1-CD1 3.31Å; F590-I594 HydrophobicContact CE1-CG1 4.29Å; F590-I594 HydrophobicContact CE2-CD1 4.49Å; F590-I594 HydrophobicContact CZ-CD1 3.7Å; F590-I594 HydrophobicContact CZ-CG1 4.44Å; F590-I594 WeakPolarHBondContact O-CG1 3.17Å; F590-I594 PolarHBondContact O-N 3.48Å
591T44.7Very low42.8Very low21 Ų21101.4 Ų101.413%0.12949%0.487CS..Hα-helixtrans-61.3-39.8175.6-56.80000111.2Q587 E588 I594 R595Q587-T591 WeakPolarHBondContact O-CB 3.38Å; Q587-T591 PolarHBondContact O-N 3.12Å; Q587-T591 PolarHBondContact O-OG1 2.7Å; E588-T591 PolarHBondContact O-N 3.19Å; T591-I594 PolarHBondContact O-N 3.27Å; T591-R595 WeakPolarHBondContact O-CB 3.46Å; T591-R595 WeakPolarHBondContact O-CG 3.47Å; T591-R595 PolarHBondContact O-N 3.19Å
592F49.5Very low43Very low127 Ų127103.9 Ų103.956%0.55750%0.499SS*.Hα-helixtrans-64.2-43.9173.2-175.6-97000112.3E588 F590 I594 R595 K596E588-F592 VanDerWaalsContact O-CB 3.28Å; E588-F592 WeakPolarHBondContact O-CB 3.4Å; E588-F592 PolarHBondContact O-N 2.95Å; F590-F592 VanDerWaalsContact C-N 3.3Å; F590-F592 PolarHBondContact O-N 3.45Å; F592-I594 PolarHBondContact O-N 2.8Å; F592-R595 PolarHBondContact O-N 3.41Å; F592-K596 HydrophobicContact CE1-CD 4.41Å; F592-K596 WeakPolarHBondContact O-CB 3.33Å; F592-K596 PolarHBondContact O-N 3.47Å
593K50.2Low43.3Very low129 Ų129100.8 Ų100.856%0.56148%0.483SS*.Hα-helixtrans-62.8-39.4175.8-80.1175.7-179.9178.90112.3L589 F590 K597L589-K593 WeakPolarHBondContact O-CB 3.36Å; L589-K593 VanDerWaalsContact O-CG 3.26Å; L589-K593 WeakPolarHBondContact O-CG 3.25Å; L589-K593 PolarHBondContact O-N 3.26Å; F590-K593 PolarHBondContact O-N 2.86Å; K593-K597 WeakPolarHBondContact O-CB 3.44Å; K593-K597 PolarHBondContact O-N 3.45Å
594I47.1Very low43.4Very low11 Ų11102 Ų1026%0.05649%0.487CS..Hα-helixtrans-64.4-49.8173.5-69179.7000110.1R295 I311 F590 T591 F592 K596 K597 C598R295-I594 HydrophobicContact CB-CD1 4.06Å; R295-I594 HydrophobicContact CG-CD1 4.19Å; I311-I594 HydrophobicContact CD1-CG2 4.38Å; F590-I594 HydrophobicContact CD1-CD1 3.84Å; F590-I594 HydrophobicContact CE1-CD1 3.31Å; F590-I594 HydrophobicContact CE1-CG1 4.29Å; F590-I594 HydrophobicContact CE2-CD1 4.49Å; F590-I594 HydrophobicContact CZ-CD1 3.7Å; F590-I594 HydrophobicContact CZ-CG1 4.44Å; F590-I594 WeakPolarHBondContact O-CG1 3.17Å; F590-I594 PolarHBondContact O-N 3.48Å; T591-I594 PolarHBondContact O-N 3.27Å; F592-I594 PolarHBondContact O-N 2.8Å; I594-K596 VanDerWaalsContact C-N 3.29Å; I594-K596 PolarHBondContact O-N 3.17Å; I594-K597 PolarHBondContact O-N 3.33Å; I594-C598 WeakPolarHBondContact O-CB 3.49Å; I594-C598 PolarHBondContact O-N 3.03Å; I594-C598 PolarHBondContact O-SG 3.07Å; I594-C598 VanDerWaalsContact O-SG 3.36Å
595R45.6Very low43.7Very low110 Ų110101.7 Ų101.742%0.41548%0.482SS..Hα-helixtrans-56.4-41.6177.2-76.1177177.3163.52.8112.2I311 T591 F592 R599I311-R595 PolarHBondContact O-NH2 3.06Å; T591-R595 WeakPolarHBondContact O-CB 3.46Å; T591-R595 WeakPolarHBondContact O-CG 3.47Å; T591-R595 PolarHBondContact O-N 3.19Å; F592-R595 PolarHBondContact O-N 3.41Å; R595-R599 WeakPolarHBondContact O-CB 3.47Å; R595-R599 WeakPolarHBondContact O-CG 3.45Å; R595-R599 PolarHBondContact O-N 3.34Å
596K46.2Very low44Very low136 Ų136101.2 Ų101.259%0.59148%0.476SS*.Hα-helixtrans-67.5-45177.6-166.7174.6-178.6177.80111.6F592 I594 R599 T600F592-K596 HydrophobicContact CE1-CD 4.41Å; F592-K596 WeakPolarHBondContact O-CB 3.33Å; F592-K596 PolarHBondContact O-N 3.47Å; I594-K596 VanDerWaalsContact C-N 3.29Å; I594-K596 PolarHBondContact O-N 3.17Å; K596-R599 PolarHBondContact O-N 3.3Å; K596-T600 WeakPolarHBondContact O-CG2 3.41Å; K596-T600 PolarHBondContact O-N 2.68Å; K596-T600 VanDerWaalsContact O-N 3.14Å; K596-T600 PolarHBondContact O-OG1 3.2Å
597K43.2Very low43.9Very low112 Ų11298.3 Ų98.349%0.48747%0.466SS..Hα-helixtrans-71.5-32.6-178-148.9179.4-174.3-178.60113.2R295 K593 I594 R599 T600R295-K597 VanDerWaalsContact NH2-CD 3.35Å; K593-K597 WeakPolarHBondContact O-CB 3.44Å; K593-K597 PolarHBondContact O-N 3.45Å; I594-K597 PolarHBondContact O-N 3.33Å; K597-R599 VanDerWaalsContact C-N 3.33Å; K597-T600 PolarHBondContact O-OG1 3.28Å
598C38.2Very low44.1Very low38 Ų3898.7 Ų98.726%0.25747%0.468SS..Hα-helixtrans-71.1-27.3172-66.50000112.5I594I594-C598 WeakPolarHBondContact O-CB 3.49Å; I594-C598 PolarHBondContact O-N 3.03Å; I594-C598 PolarHBondContact O-SG 3.07Å; I594-C598 VanDerWaalsContact O-SG 3.36Å
599R41.8Very low43.9Very low137 Ų13799.4 Ų99.452%0.51747%0.472SS..Hα-helixtrans-81.4-21.6175.6-79.1-178.7178.21770.4114.3R595 K596 K597R595-R599 WeakPolarHBondContact O-CB 3.47Å; R595-R599 WeakPolarHBondContact O-CG 3.45Å; R595-R599 PolarHBondContact O-N 3.34Å; K596-R599 PolarHBondContact O-N 3.3Å; K597-R599 VanDerWaalsContact C-N 3.33Å
600T44.3Very low43.4Very low91 Ų9199.8 Ų99.856%0.55847%0.47SS*.SBendtrans-93.5-4179.854.10000114K596 K597K596-T600 WeakPolarHBondContact O-CG2 3.41Å; K596-T600 PolarHBondContact O-N 2.68Å; K596-T600 VanDerWaalsContact O-N 3.14Å; K596-T600 PolarHBondContact O-OG1 3.2Å; K597-T600 PolarHBondContact O-OG1 3.28Å
601N36.1Very low43.3Very low138 Ų138103.6 Ų103.674%0.73849%0.49SS*.  trans-115.912.2178.3-80.6-8.1000113
602L32.1Very low43.1Very low193 Ų193111.1 Ų111.1100%1.0152%0.523SS*.  trans-105.80157.9-83159.8000106.7

Retrieved 602 of 602 residues in 185 ms (Link to these results)

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