G4V9K3_SCHMA Loading...

IRF tryptophan pentad repeat domain-containing protein

AlphaFold DB , UniProt , Accession G4V9K3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 638 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
1M38Very low81.6Confident230 Ų230108.9 Ų108.9100%1.13351%0.509SS*.  0132.30-72.2-175.3-179.400107.1I3M1-I3 PolarHBondContact O-N 3.33Å; M1-I3 VanDerWaalsContact O-N 3.12Å
2D57.7Low82.8Confident162 Ų162104.3 Ų104.387%0.86649%0.487SS*.  trans-77.1103.3179.8-53.6-28000109.4R4D2-R4 PolarHBondContact O-N 3.24Å
3I66.2Low83.8Confident153 Ų153100.1 Ų100.179%0.78548%0.477SS*.  trans-67.3108177.2-60.3176.9000107.4M1 V5M1-I3 PolarHBondContact O-N 3.33Å; M1-I3 VanDerWaalsContact O-N 3.12Å; I3-V5 PolarHBondContact O-N 3.43Å
4R81.1Confident84.6Confident236 Ų23696.5 Ų96.589%0.89146%0.456SS*.  trans-67.796.4178.1-70.2-175177.1-171.9-1.2110.1D2 R6D2-R4 PolarHBondContact O-N 3.24Å; R4-R6 PolarHBondContact O-N 2.91Å
5V87.9Confident85.4Confident57 Ų5790.6 Ų90.635%0.34543%0.429SS..  trans-58.9127.7177.1-175.90000109.9I3 W10 W56 V59I3-V5 PolarHBondContact O-N 3.43Å; V5-W10 HydrophobicContact CG1-CB 3.85Å; V5-W10 HydrophobicContact CG1-CG 4.47Å; V5-W56 HydrophobicContact CG1-CZ3 4.21Å; V5-V59 HydrophobicContact CB-CG1 4.14Å; V5-V59 HydrophobicContact CG1-CG1 3.78Å; V5-V59 HydrophobicContact CG2-CG1 3.79Å
6R91.3Very high86Confident198 Ų19890.3 Ų90.375%0.74743%0.43SS*.  trans-84.5132.7173.7-68.9179.3177.6143.6-1.3108.6R4 R8 P9 W10R4-R6 PolarHBondContact O-N 2.91Å; R6-R8 PolarHBondContact O-N 2.81Å; R6-P9 HydrophobicContact CB-CG 4.14Å; R6-P9 WeakPolarHBondContact O-CD 3.44Å; R6-W10 PolarHBondContact O-N 2.85Å
7L94.8Very high86.6Confident18 Ų1889.2 Ų89.29%0.09443%0.428CS..Hα-helixtrans-56.1-47.8-175.6179.367.5000112.3W10 L11 W56 L79 A82 L83 A86 I89L7-W10 HydrophobicContact CD1-CE3 3.74Å; L7-W10 HydrophobicContact CD1-CZ3 3.68Å; L7-W10 PolarHBondContact O-N 3.45Å; L7-L11 VanDerWaalsContact O-CB 3.28Å; L7-L11 WeakPolarHBondContact O-CB 3.43Å; L7-L11 PolarHBondContact O-N 2.85Å; L7-W56 HydrophobicContact CB-CH2 3.9Å; L7-W56 HydrophobicContact CB-CZ2 4.34Å; L7-W56 HydrophobicContact CB-CZ3 4.49Å; L7-W56 HydrophobicContact CD1-CD2 4.13Å; L7-W56 HydrophobicContact CD1-CE3 4.07Å; L7-W56 HydrophobicContact CD1-CH2 3.7Å; L7-W56 HydrophobicContact CD1-CZ2 3.73Å; L7-W56 HydrophobicContact CD1-CZ3 3.86Å; L7-W56 HydrophobicContact CG-CH2 4.42Å; L7-L79 HydrophobicContact CD1-CD1 3.52Å; L7-A82 HydrophobicContact CD1-CB 4.37Å; L7-A82 HydrophobicContact CD2-CB 3.87Å; L7-L83 HydrophobicContact CD2-CD2 3.99Å; L7-L83 HydrophobicContact CD2-CG 4.12Å; L7-A86 HydrophobicContact CD2-CB 4.04Å; L7-I89 HydrophobicContact CD2-CD1 3.8Å; L7-I89 HydrophobicContact CG-CD1 4.08Å
8R94.4Very high86.9Confident57 Ų5786.8 Ų86.822%0.21543%0.43CS..Hα-helixtrans-62.3-56-175.6165.6170.7-175.11613.8114R6 W10 L11 E12 D88 I89 F109 V110R6-R8 PolarHBondContact O-N 2.81Å; R8-W10 VanDerWaalsContact C-N 3.27Å; R8-W10 PolarHBondContact O-N 2.73Å; R8-L11 PolarHBondContact O-N 2.88Å; R8-E12 HydrophobicContact CG-CG 4.16Å; R8-E12 IonicContact CZ-OE1 2.75Å; R8-E12 VanDerWaalsContact CZ-OE1 3.24Å; R8-E12 IonicContact NE-OE1 2.7Å; R8-E12 PolarHBondContact NE-OE1 3.31Å; R8-E12 IonicContact NE-OE2 2.72Å; R8-E12 IonicContact NH2-OE1 3.44Å; R8-E12 PolarHBondContact NH2-OE1 3.09Å; R8-E12 WeakPolarHBondContact O-CB 3.29Å; R8-E12 WeakPolarHBondContact O-CG 3.24Å; R8-E12 PolarHBondContact O-N 2.88Å; R8-D88 WeakPolarHBondContact CB-OD2 3.37Å; R8-D88 WeakPolarHBondContact CD-OD2 3.4Å; R8-D88 PolarHBondContact NH1-O 2.83Å; R8-I89 HydrophobicContact CB-CD1 4.42Å; R8-F109 HydrophobicContact CB-CD1 4.44Å; R8-F109 HydrophobicContact CB-CE1 4.06Å; R8-F109 HydrophobicContact CG-CD1 3.77Å; R8-F109 HydrophobicContact CG-CE1 3.64Å; R8-F109 HydrophobicContact CG-CZ 4.47Å; R8-V110 PolarHBondContact NH1-O 2.7Å
9P94Very high87.3Confident72 Ų7289.9 Ų89.947%0.46844%0.437SS..Hα-helixtrans-58.9-34.8178.7-28.136.1000114.1R6 S13R6-P9 HydrophobicContact CB-CG 4.14Å; R6-P9 WeakPolarHBondContact O-CD 3.44Å; P9-S13 PolarHBondContact O-N 2.92Å
10W95.8Very high87.6Confident15 Ų1585.6 Ų85.66%0.05742%0.416CS..Hα-helixtrans-64.5-46.9172.8162.980.5000111.6V5 R6 L7 R8 S13 R14 I52 D55 W56 V59 L79V5-W10 HydrophobicContact CG1-CB 3.85Å; V5-W10 HydrophobicContact CG1-CG 4.47Å; R6-W10 PolarHBondContact O-N 2.85Å; L7-W10 HydrophobicContact CD1-CE3 3.74Å; L7-W10 HydrophobicContact CD1-CZ3 3.68Å; L7-W10 PolarHBondContact O-N 3.45Å; R8-W10 VanDerWaalsContact C-N 3.27Å; R8-W10 PolarHBondContact O-N 2.73Å; W10-S13 VanDerWaalsContact O-CB 3.31Å; W10-S13 WeakPolarHBondContact O-CB 3.42Å; W10-S13 PolarHBondContact O-N 2.94Å; W10-R14 HydrophobicContact CZ2-CG 4.27Å; W10-R14 PolarHBondContact O-N 3.22Å; W10-I52 HydrophobicContact CH2-CD1 4.37Å; W10-I52 HydrophobicContact CH2-CG1 3.82Å; W10-I52 HydrophobicContact CZ2-CG1 4.36Å; W10-D55 VanDerWaalsContact CE2-OD2 3.25Å; W10-D55 VanDerWaalsContact CZ2-OD2 3.28Å; W10-D55 WeakPolarHBondContact CZ2-OD2 3.14Å; W10-D55 PolarHBondContact NE1-OD2 2.8Å; W10-W56 HydrophobicContact CB-CZ3 4.35Å; W10-W56 AromaticContact CD2-CE3 3.48Å; W10-W56 HydrophobicContact CD2-CE3 3.48Å; W10-W56 VanDerWaalsContact CD2-CE3 3.48Å; W10-W56 AromaticContact CD2-CZ3 3.82Å; W10-W56 HydrophobicContact CD2-CZ3 3.82Å; W10-W56 AromaticContact CE2-CE3 3.78Å; W10-W56 HydrophobicContact CE3-CD2 4.3Å; W10-W56 AromaticContact CE3-CE3 3.43Å; W10-W56 HydrophobicContact CE3-CE3 3.43Å; W10-W56 VanDerWaalsContact CE3-CE3 3.43Å; W10-W56 AromaticContact CE3-CZ3 3.73Å; W10-W56 HydrophobicContact CE3-CZ3 3.73Å; W10-W56 HydrophobicContact CG-CE3 4.12Å; W10-W56 HydrophobicContact CG-CZ3 4.09Å; W10-W56 HydrophobicContact CH2-CB 3.67Å; W10-W56 HydrophobicContact CH2-CD2 4.27Å; W10-W56 HydrophobicContact CH2-CE3 4Å; W10-W56 HydrophobicContact CH2-CG 4.18Å; W10-W56 HydrophobicContact CZ2-CB 3.74Å; W10-W56 HydrophobicContact CZ2-CE3 4.05Å; W10-W56 HydrophobicContact CZ2-CG 4.49Å; W10-W56 HydrophobicContact CZ3-CB 4.4Å; W10-W56 HydrophobicContact CZ3-CD2 4.13Å; W10-W56 AromaticContact CZ3-CE3 3.7Å; W10-W56 HydrophobicContact CZ3-CE3 3.7Å; W10-W56 HydrophobicContact CZ3-CG 4.45Å; W10-W56 HydrophobicContact CZ3-CZ3 4.36Å; W10-V59 HydrophobicContact CG-CG1 4.47Å; W10-L79 HydrophobicContact CH2-CD1 4.27Å; W10-L79 HydrophobicContact CH2-CD2 4.34Å; W10-L79 HydrophobicContact CZ3-CD1 3.97Å
11L96.6Very high87.8Confident0 Ų088.8 Ų88.80%043%0.43CS..Hα-helixtrans-68.9-38.1-179.1-171.356.9000112L7 R8 S13 R14 L15 L23 F33 I35 I52 L83 I89 F109L7-L11 VanDerWaalsContact O-CB 3.28Å; L7-L11 WeakPolarHBondContact O-CB 3.43Å; L7-L11 PolarHBondContact O-N 2.85Å; R8-L11 PolarHBondContact O-N 2.88Å; L11-S13 VanDerWaalsContact C-N 3.33Å; L11-R14 PolarHBondContact O-N 3.32Å; L11-L15 HydrophobicContact CG-CD1 4.14Å; L11-L15 WeakPolarHBondContact O-CB 3.31Å; L11-L15 WeakPolarHBondContact O-CD1 3.44Å; L11-L15 VanDerWaalsContact O-CG 3.27Å; L11-L15 WeakPolarHBondContact O-CG 3.44Å; L11-L15 PolarHBondContact O-N 3.24Å; L11-L23 HydrophobicContact CD1-CD1 4.08Å; L11-L23 HydrophobicContact CD1-CD2 4.46Å; L11-F33 HydrophobicContact CD2-CE2 3.62Å; L11-F33 HydrophobicContact CD2-CZ 3.61Å; L11-F33 HydrophobicContact CG-CE2 4.18Å; L11-F33 HydrophobicContact CG-CZ 4.33Å; L11-I35 HydrophobicContact CD2-CD1 4.44Å; L11-I52 HydrophobicContact CD1-CD1 4.04Å; L11-L83 HydrophobicContact CD2-CD2 4.1Å; L11-I89 HydrophobicContact CD2-CD1 4.19Å; L11-F109 HydrophobicContact CB-CZ 4.19Å; L11-F109 HydrophobicContact CD2-CE1 4.37Å; L11-F109 HydrophobicContact CD2-CZ 4.13Å; L11-F109 HydrophobicContact CG-CZ 4.05Å
12E95.2Very high90.5Very high53 Ų5378.2 Ų78.225%0.24838%0.38CS..Hα-helixtrans-60.3-40.5169.8-74.1173.9155.300111.1R8 N16 F109R8-E12 HydrophobicContact CG-CG 4.16Å; R8-E12 IonicContact CZ-OE1 2.75Å; R8-E12 VanDerWaalsContact CZ-OE1 3.24Å; R8-E12 IonicContact NE-OE1 2.7Å; R8-E12 PolarHBondContact NE-OE1 3.31Å; R8-E12 IonicContact NE-OE2 2.72Å; R8-E12 IonicContact NH2-OE1 3.44Å; R8-E12 PolarHBondContact NH2-OE1 3.09Å; R8-E12 WeakPolarHBondContact O-CB 3.29Å; R8-E12 WeakPolarHBondContact O-CG 3.24Å; R8-E12 PolarHBondContact O-N 2.88Å; E12-N16 VanDerWaalsContact O-CG 3.27Å; E12-N16 PolarHBondContact O-N 3.09Å; E12-N16 PolarHBondContact O-ND2 3.48Å; E12-F109 HydrophobicContact CG-CD2 4.07Å; E12-F109 HydrophobicContact CG-CE1 4.12Å; E12-F109 HydrophobicContact CG-CE2 3.49Å; E12-F109 VanDerWaalsContact CG-CE2 3.49Å; E12-F109 HydrophobicContact CG-CZ 3.53Å
13S95.9Very high92.3Very high50 Ų5070.5 Ų70.535%0.3534%0.339SS..Hα-helixtrans-59.6-57.3171.1-161.40000110.4P9 W10 L11 L15 N16 D17P9-S13 PolarHBondContact O-N 2.92Å; W10-S13 VanDerWaalsContact O-CB 3.31Å; W10-S13 WeakPolarHBondContact O-CB 3.42Å; W10-S13 PolarHBondContact O-N 2.94Å; L11-S13 VanDerWaalsContact C-N 3.33Å; S13-L15 PolarHBondContact O-N 3.5Å; S13-L15 VanDerWaalsContact O-N 3.16Å; S13-N16 CarbonylContact O-C 3.54Å; S13-N16 WeakPolarHBondContact O-CA 3.1Å; S13-N16 WeakPolarHBondContact O-CB 3.43Å; S13-N16 PolarHBondContact O-N 3.15Å; S13-D17 PolarHBondContact O-N 3.29Å; S13-D17 PolarHBondContact OG-OD1 3.01Å; S13-D17 PolarHBondContact OG-OD2 2.86Å
14R96Very high93.7Very high50 Ų5068.3 Ų68.319%0.18932%0.323CS..Hα-helixtrans-59.8-32.1-176.4-63.5-56.3-179.8-126.86.5114.2W10 L11 N16 D17 G18 I20 L23 D55W10-R14 HydrophobicContact CZ2-CG 4.27Å; W10-R14 PolarHBondContact O-N 3.22Å; L11-R14 PolarHBondContact O-N 3.32Å; R14-N16 VanDerWaalsContact C-N 3.34Å; R14-D17 WeakPolarHBondContact CD-OD2 3.4Å; R14-D17 IonicContact CZ-OD2 3.7Å; R14-D17 IonicContact NE-OD2 2.82Å; R14-D17 IonicContact NH1-OD2 3.75Å; R14-D17 PolarHBondContact NH1-OD2 3.43Å; R14-G18 PolarHBondContact O-N 3.45Å; R14-G18 VanDerWaalsContact O-N 3.12Å; R14-I20 HydrophobicContact CB-CD1 4.17Å; R14-I20 HydrophobicContact CG-CD1 4.18Å; R14-L23 HydrophobicContact CB-CD2 3.65Å; R14-D55 IonicContact CZ-OD1 3.79Å; R14-D55 IonicContact CZ-OD2 2.8Å; R14-D55 IonicContact NE-OD1 3.99Å; R14-D55 PolarHBondContact NE-OD1 3.12Å; R14-D55 IonicContact NE-OD2 3.62Å; R14-D55 PolarHBondContact NE-OD2 2.93Å; R14-D55 IonicContact NH2-OD1 2.82Å; R14-D55 PolarHBondContact NH2-OD1 3.25Å; R14-D55 IonicContact NH2-OD2 3.55Å; R14-D55 PolarHBondContact NH2-OD2 2.9Å
15L96.6Very high94.5Very high8 Ų860 Ų604%0.04229%0.292CS..Hα-helixtrans-71.8-23.4172.7-76.4163.5000114.1L11 S13 L23 W25 F33 F109L11-L15 HydrophobicContact CG-CD1 4.14Å; L11-L15 WeakPolarHBondContact O-CB 3.31Å; L11-L15 WeakPolarHBondContact O-CD1 3.44Å; L11-L15 VanDerWaalsContact O-CG 3.27Å; L11-L15 WeakPolarHBondContact O-CG 3.44Å; L11-L15 PolarHBondContact O-N 3.24Å; S13-L15 PolarHBondContact O-N 3.5Å; S13-L15 VanDerWaalsContact O-N 3.16Å; L15-L23 HydrophobicContact CD2-CD1 3.57Å; L15-L23 HydrophobicContact CD2-CG 3.8Å; L15-L23 HydrophobicContact CG-CD1 3.99Å; L15-L23 HydrophobicContact CG-CG 4.2Å; L15-W25 HydrophobicContact CB-CD2 4.3Å; L15-W25 HydrophobicContact CB-CZ2 3.73Å; L15-W25 HydrophobicContact CD1-CH2 4.09Å; L15-W25 HydrophobicContact CD1-CZ2 4.15Å; L15-W25 HydrophobicContact CD1-CZ3 4.27Å; L15-W25 VanDerWaalsContact O-CD1 3.28Å; L15-W25 PolarHBondContact O-NE1 3.02Å; L15-F33 HydrophobicContact CD1-CB 3.75Å; L15-F33 HydrophobicContact CD1-CD1 3.8Å; L15-F33 HydrophobicContact CD1-CD2 3.73Å; L15-F33 HydrophobicContact CD1-CE1 4.34Å; L15-F33 HydrophobicContact CD1-CE2 4.26Å; L15-F33 HydrophobicContact CD1-CG 3.47Å; L15-F33 VanDerWaalsContact CD1-CG 3.47Å; L15-F33 HydrophobicContact CD2-CB 3.65Å; L15-F33 HydrophobicContact CD2-CD2 4.28Å; L15-F33 HydrophobicContact CD2-CG 4.16Å; L15-F33 HydrophobicContact CG-CB 4.38Å; L15-F33 HydrophobicContact CG-CG 4.47Å; L15-F109 HydrophobicContact CD1-CE2 3.76Å; L15-F109 HydrophobicContact CD1-CZ 4.07Å
16N95.3Very high94.8Very high85 Ų8561.2 Ų61.246%0.45530%0.296SS..Hα-helixtrans-89.7-35.8171.3-65.4-43.3000111.9E12 S13 R14 G18 W25 R28E12-N16 VanDerWaalsContact O-CG 3.27Å; E12-N16 PolarHBondContact O-N 3.09Å; E12-N16 PolarHBondContact O-ND2 3.48Å; S13-N16 CarbonylContact O-C 3.54Å; S13-N16 WeakPolarHBondContact O-CA 3.1Å; S13-N16 WeakPolarHBondContact O-CB 3.43Å; S13-N16 PolarHBondContact O-N 3.15Å; R14-N16 VanDerWaalsContact C-N 3.34Å; N16-G18 VanDerWaalsContact C-N 3.3Å; N16-G18 PolarHBondContact O-N 3.3Å; N16-W25 PolarHBondContact OD1-NE1 3.49Å; N16-R28 PolarHBondContact OD1-NE 3.45Å; N16-R28 PolarHBondContact OD1-NH2 3.07Å
17D95Very high94.8Very high73 Ų7353.4 Ų53.439%0.3927%0.269SS..Hα-helixtrans-65.8-32.4178.7-50.3-23000111.5S13 R14 W19S13-D17 PolarHBondContact O-N 3.29Å; S13-D17 PolarHBondContact OG-OD1 3.01Å; S13-D17 PolarHBondContact OG-OD2 2.86Å; R14-D17 WeakPolarHBondContact CD-OD2 3.4Å; R14-D17 IonicContact CZ-OD2 3.7Å; R14-D17 IonicContact NE-OD2 2.82Å; R14-D17 IonicContact NH1-OD2 3.75Å; R14-D17 PolarHBondContact NH1-OD2 3.43Å; D17-W19 PolarHBondContact O-N 2.85Å
18G93.2Very high94.7Very high46 Ų4660.2 Ų60.247%0.47429%0.293SS..  trans71.8-4.1166.900000117.5R14 N16 I20R14-G18 PolarHBondContact O-N 3.45Å; R14-G18 VanDerWaalsContact O-N 3.12Å; N16-G18 VanDerWaalsContact C-N 3.3Å; N16-G18 PolarHBondContact O-N 3.3Å; G18-I20 PolarHBondContact O-N 3.43Å
19W92.9Very high94.4Very high145 Ų14566.3 Ų66.355%0.54932%0.324SS..  trans-74.1-18.9-175.367.7-93.5000115.2D17 A51 D55D17-W19 PolarHBondContact O-N 2.85Å; W19-A51 HydrophobicContact CZ3-CB 4.43Å; W19-D55 HydrophobicContact CH2-CB 4.25Å; W19-D55 HydrophobicContact CZ2-CB 4.35Å
20I93.9Very high94.1Very high3 Ų368.6 Ų68.62%0.01533%0.327CS..SBendtrans-83.5118.3-179.6-62.3-177.4000109.1R14 G18 L23 A51 I52R14-I20 HydrophobicContact CB-CD1 4.17Å; R14-I20 HydrophobicContact CG-CD1 4.18Å; G18-I20 PolarHBondContact O-N 3.43Å; I20-L23 HydrophobicContact CB-CB 3.89Å; I20-L23 HydrophobicContact CB-CD2 3.96Å; I20-L23 HydrophobicContact CD1-CD2 3.85Å; I20-L23 HydrophobicContact CG1-CD2 4.38Å; I20-L23 HydrophobicContact CG2-CB 3.63Å; I20-L23 HydrophobicContact CG2-CD2 4.1Å; I20-L23 PolarHBondContact O-N 2.91Å; I20-A51 HydrophobicContact CG2-CB 4.35Å; I20-I52 HydrophobicContact CD1-CB 4.27Å; I20-I52 HydrophobicContact CD1-CG1 4.31Å; I20-I52 HydrophobicContact CG2-CB 4.08Å
21E92.8Very high93.9Very high153 Ų15368.4 Ų68.472%0.71533%0.329SS*.THydrogen-bonded Turntrans-60.6144.3176.6-176.6144.5-14200111.8L23E21-L23 PolarHBondContact O-N 2.74Å
22G93Very high93.8Very high8 Ų869 Ų698%0.08233%0.332CS..THydrogen-bonded Turntrans71.1-21.6-176.800000115.9K24 R34G22-K24 PolarHBondContact O-N 3.26Å; G22-R34 WeakPolarHBondContact O-CG 3.47Å; G22-R34 PolarHBondContact O-NH1 3.06Å; G22-R34 VanDerWaalsContact O-NH1 3.1Å
23L96.8Very high93.9Very high1 Ų166.4 Ų66.41%0.00532%0.32CS..  trans-82.696.5177.8177.763.5000110.2L11 R14 L15 I20 E21 R34 I35 I52L11-L23 HydrophobicContact CD1-CD1 4.08Å; L11-L23 HydrophobicContact CD1-CD2 4.46Å; R14-L23 HydrophobicContact CB-CD2 3.65Å; L15-L23 HydrophobicContact CD2-CD1 3.57Å; L15-L23 HydrophobicContact CD2-CG 3.8Å; L15-L23 HydrophobicContact CG-CD1 3.99Å; L15-L23 HydrophobicContact CG-CG 4.2Å; I20-L23 HydrophobicContact CB-CB 3.89Å; I20-L23 HydrophobicContact CB-CD2 3.96Å; I20-L23 HydrophobicContact CD1-CD2 3.85Å; I20-L23 HydrophobicContact CG1-CD2 4.38Å; I20-L23 HydrophobicContact CG2-CB 3.63Å; I20-L23 HydrophobicContact CG2-CD2 4.1Å; I20-L23 PolarHBondContact O-N 2.91Å; E21-L23 PolarHBondContact O-N 2.74Å; L23-R34 WeakPolarHBondContact CA-O 3.07Å; L23-R34 WeakPolarHBondContact CD1-O 3.38Å; L23-I35 HydrophobicContact CD1-CG1 4.04Å; L23-I52 HydrophobicContact CD1-CD1 3.78Å; L23-I52 HydrophobicContact CD2-CD1 3.77Å; L23-I52 HydrophobicContact CD2-CG1 4.24Å; L23-I52 HydrophobicContact CG-CD1 4.27Å
24K95.7Very high93.9Very high106 Ų10667 Ų6746%0.46132%0.315SS..EExtended strand (participates in β ladder)trans-141.3147.6-172.9-61-172.8179.7-179.60112.1G22 F33 R34G22-K24 PolarHBondContact O-N 3.26Å; K24-F33 WeakPolarHBondContact O-CA 3.42Å; K24-R34 PolarHBondContact N-O 2.68Å; K24-R34 PolarHBondContact O-N 2.97Å
25W96.5Very high93.9Very high63 Ų6364.7 Ų64.724%0.23931%0.306CS..EExtended strand (participates in β ladder)trans-59.6143.1165.4-65.7106.9000110.3L15 N16 R28 F33 F109L15-W25 HydrophobicContact CB-CD2 4.3Å; L15-W25 HydrophobicContact CB-CZ2 3.73Å; L15-W25 HydrophobicContact CD1-CH2 4.09Å; L15-W25 HydrophobicContact CD1-CZ2 4.15Å; L15-W25 HydrophobicContact CD1-CZ3 4.27Å; L15-W25 VanDerWaalsContact O-CD1 3.28Å; L15-W25 PolarHBondContact O-NE1 3.02Å; N16-W25 PolarHBondContact OD1-NE1 3.49Å; W25-R28 HydrophobicContact CB-CB 4.43Å; W25-R28 HydrophobicContact CD2-CB 4.17Å; W25-R28 HydrophobicContact CD2-CG 3.87Å; W25-R28 HydrophobicContact CE3-CB 4.37Å; W25-R28 HydrophobicContact CE3-CG 4.22Å; W25-R28 HydrophobicContact CG-CB 4.21Å; W25-R28 HydrophobicContact CG-CG 4.19Å; W25-R28 HydrophobicContact CZ2-CG 4.37Å; W25-F33 HydrophobicContact CE3-CB 4Å; W25-F33 HydrophobicContact CZ3-CB 4.42Å; W25-F33 HydrophobicContact CZ3-CD1 4.18Å; W25-F109 AromaticContact CH2-CD2 3.77Å; W25-F109 HydrophobicContact CH2-CD2 3.77Å; W25-F109 AromaticContact CH2-CE2 3.58Å; W25-F109 HydrophobicContact CH2-CE2 3.58Å; W25-F109 AromaticContact CZ3-CD2 3.82Å; W25-F109 HydrophobicContact CZ3-CD2 3.82Å; W25-F109 AromaticContact CZ3-CE2 3.86Å; W25-F109 HydrophobicContact CZ3-CE2 3.86Å
26I94Very high93.9Very high81 Ų8164.7 Ų64.742%0.41531%0.306SS..EExtended strand (participates in β ladder)trans-104.4-41.4166.8-71.1170.6000109.4I32 R34 V106I26-I32 HydrophobicContact CB-CG2 4.29Å; I26-I32 HydrophobicContact CG2-CG2 4.49Å; I26-I32 PolarHBondContact N-O 3.04Å; I26-R34 HydrophobicContact CD1-CB 3.94Å; I26-R34 HydrophobicContact CD1-CG 4.33Å; I26-R34 HydrophobicContact CG1-CB 4.47Å; I26-R34 HydrophobicContact CG1-CG 4.39Å; I26-V106 HydrophobicContact CD1-CB 4.39Å; I26-V106 HydrophobicContact CD1-CG1 3.92Å; I26-V106 HydrophobicContact CD1-CG2 3.52Å
27D91.8Very high93.8Very high34 Ų3462.3 Ų62.318%0.18229%0.291CS..EExtended strand (participates in β ladder)trans-149.296-179.5-173.7-38.4000107.2E29 K30 G31 I32D27-E29 VanDerWaalsContact C-N 3.3Å; D27-E29 PolarHBondContact O-N 3.3Å; D27-E29 PolarHBondContact OD1-N 2.98Å; D27-K30 HydrophobicContact CB-CB 4.38Å; D27-K30 PolarHBondContact O-N 2.8Å; D27-K30 WeakPolarHBondContact OD1-CB 3.38Å; D27-K30 WeakPolarHBondContact OD1-CG 3.25Å; D27-K30 PolarHBondContact OD1-N 2.82Å; D27-K30 IonicContact OD1-NZ 2.76Å; D27-K30 PolarHBondContact OD1-NZ 3.33Å; D27-K30 VanDerWaalsContact OD2-CD 3.25Å; D27-K30 WeakPolarHBondContact OD2-CD 3.42Å; D27-K30 WeakPolarHBondContact OD2-CE 3.33Å; D27-K30 IonicContact OD2-NZ 3.58Å; D27-K30 PolarHBondContact OD2-NZ 3.04Å; D27-G31 PolarHBondContact O-N 2.73Å; D27-G31 VanDerWaalsContact O-N 3.08Å; D27-I32 HydrophobicContact CB-CB 4.03Å; D27-I32 HydrophobicContact CB-CD1 4.22Å; D27-I32 HydrophobicContact CB-CG1 4.23Å; D27-I32 PolarHBondContact N-O 2.93Å; D27-I32 PolarHBondContact O-N 2.69Å
28R92.3Very high93.8Very high162 Ų16259.4 Ų59.461%0.61128%0.275SS*.THydrogen-bonded Turntrans-68.1-31.4-172-167.9173.3-170.4-90.73.8112.2N16 W25 G31N16-R28 PolarHBondContact OD1-NE 3.45Å; N16-R28 PolarHBondContact OD1-NH2 3.07Å; W25-R28 HydrophobicContact CB-CB 4.43Å; W25-R28 HydrophobicContact CD2-CB 4.17Å; W25-R28 HydrophobicContact CD2-CG 3.87Å; W25-R28 HydrophobicContact CE3-CB 4.37Å; W25-R28 HydrophobicContact CE3-CG 4.22Å; W25-R28 HydrophobicContact CG-CB 4.21Å; W25-R28 HydrophobicContact CG-CG 4.19Å; W25-R28 HydrophobicContact CZ2-CG 4.37Å; R28-G31 PolarHBondContact O-N 2.96Å
29E90Very high93.6Very high184 Ų18462.9 Ų62.986%0.8628%0.279SS*.THydrogen-bonded Turntrans-68.9-43.4178.9-60.6179.3166.800111.5D27 G31D27-E29 VanDerWaalsContact C-N 3.3Å; D27-E29 PolarHBondContact O-N 3.3Å; D27-E29 PolarHBondContact OD1-N 2.98Å; E29-G31 PolarHBondContact O-N 3.39Å
30K86.7Confident93.3Very high121 Ų12160.3 Ų60.353%0.52627%0.273SS..THydrogen-bonded Turntrans-856.8175.1-58.9176.6-15763.60112.7D27 I32D27-K30 HydrophobicContact CB-CB 4.38Å; D27-K30 PolarHBondContact O-N 2.8Å; D27-K30 WeakPolarHBondContact OD1-CB 3.38Å; D27-K30 WeakPolarHBondContact OD1-CG 3.25Å; D27-K30 PolarHBondContact OD1-N 2.82Å; D27-K30 IonicContact OD1-NZ 2.76Å; D27-K30 PolarHBondContact OD1-NZ 3.33Å; D27-K30 VanDerWaalsContact OD2-CD 3.25Å; D27-K30 WeakPolarHBondContact OD2-CD 3.42Å; D27-K30 WeakPolarHBondContact OD2-CE 3.33Å; D27-K30 IonicContact OD2-NZ 3.58Å; D27-K30 PolarHBondContact OD2-NZ 3.04Å; K30-I32 HydrophobicContact CB-CD1 3.91Å; K30-I32 HydrophobicContact CB-CG1 3.86Å; K30-I32 WeakPolarHBondContact O-CG1 3.34Å; K30-I32 PolarHBondContact O-N 3.22Å
31G92.2Very high93Very high10 Ų1064.8 Ų64.810%0.10330%0.304CS..THydrogen-bonded Turntrans61.625.6179.500000114.5D27 R28 E29 F33 R108 F109D27-G31 PolarHBondContact O-N 2.73Å; D27-G31 VanDerWaalsContact O-N 3.08Å; R28-G31 PolarHBondContact O-N 2.96Å; E29-G31 PolarHBondContact O-N 3.39Å; G31-F33 WeakPolarHBondContact O-CD1 3.39Å; G31-R108 CarbonylContact O-C 3.47Å; G31-R108 WeakPolarHBondContact O-CA 3.39Å; G31-F109 PolarHBondContact O-N 3.31Å
32I94.1Very high92.7Very high12 Ų1260.8 Ų60.86%0.06228%0.284CS..EExtended strand (participates in β ladder)trans-93131-175.9-46.9179.3000110I26 D27 K30 V106 Y107 R108I26-I32 HydrophobicContact CB-CG2 4.29Å; I26-I32 HydrophobicContact CG2-CG2 4.49Å; I26-I32 PolarHBondContact N-O 3.04Å; D27-I32 HydrophobicContact CB-CB 4.03Å; D27-I32 HydrophobicContact CB-CD1 4.22Å; D27-I32 HydrophobicContact CB-CG1 4.23Å; D27-I32 PolarHBondContact N-O 2.93Å; D27-I32 PolarHBondContact O-N 2.69Å; K30-I32 HydrophobicContact CB-CD1 3.91Å; K30-I32 HydrophobicContact CB-CG1 3.86Å; K30-I32 WeakPolarHBondContact O-CG1 3.34Å; K30-I32 PolarHBondContact O-N 3.22Å; I32-V106 HydrophobicContact CG2-CG1 3.51Å; I32-Y107 WeakPolarHBondContact CA-O 3.44Å; I32-R108 HydrophobicContact CG1-CB 4.05Å
33F96.4Very high92.5Very high0 Ų069.4 Ų69.40%032%0.322CS..EExtended strand (participates in β ladder)trans-145.9161-176.860.4-89.2000112L11 L15 K24 W25 G31 I35 I89 V106 Y107 F109L11-F33 HydrophobicContact CD2-CE2 3.62Å; L11-F33 HydrophobicContact CD2-CZ 3.61Å; L11-F33 HydrophobicContact CG-CE2 4.18Å; L11-F33 HydrophobicContact CG-CZ 4.33Å; L15-F33 HydrophobicContact CD1-CB 3.75Å; L15-F33 HydrophobicContact CD1-CD1 3.8Å; L15-F33 HydrophobicContact CD1-CD2 3.73Å; L15-F33 HydrophobicContact CD1-CE1 4.34Å; L15-F33 HydrophobicContact CD1-CE2 4.26Å; L15-F33 HydrophobicContact CD1-CG 3.47Å; L15-F33 VanDerWaalsContact CD1-CG 3.47Å; L15-F33 HydrophobicContact CD2-CB 3.65Å; L15-F33 HydrophobicContact CD2-CD2 4.28Å; L15-F33 HydrophobicContact CD2-CG 4.16Å; L15-F33 HydrophobicContact CG-CB 4.38Å; L15-F33 HydrophobicContact CG-CG 4.47Å; K24-F33 WeakPolarHBondContact O-CA 3.42Å; W25-F33 HydrophobicContact CE3-CB 4Å; W25-F33 HydrophobicContact CZ3-CB 4.42Å; W25-F33 HydrophobicContact CZ3-CD1 4.18Å; G31-F33 WeakPolarHBondContact O-CD1 3.39Å; F33-I35 HydrophobicContact CD2-CG1 4.15Å; F33-I35 HydrophobicContact CE2-CD1 4.05Å; F33-I35 HydrophobicContact CE2-CG1 3.98Å; F33-I89 HydrophobicContact CZ-CG2 4.29Å; F33-V106 WeakPolarHBondContact O-CA 3.34Å; F33-V106 WeakPolarHBondContact O-CG1 3.43Å; F33-Y107 HydrophobicContact CE2-CD2 4.18Å; F33-Y107 HydrophobicContact CE2-CG 4.22Å; F33-Y107 VanDerWaalsContact CZ-CB 3.47Å; F33-Y107 HydrophobicContact CZ-CG 4.35Å; F33-Y107 PolarHBondContact N-O 2.93Å; F33-Y107 PolarHBondContact O-N 2.62Å; F33-F109 AromaticContact CD1-CD2 3.78Å; F33-F109 HydrophobicContact CD1-CD2 3.78Å; F33-F109 AromaticContact CD1-CE2 3.53Å; F33-F109 HydrophobicContact CD1-CE2 3.53Å; F33-F109 HydrophobicContact CD1-CZ 4.08Å; F33-F109 AromaticContact CE1-CD1 3.98Å; F33-F109 HydrophobicContact CE1-CD1 3.98Å; F33-F109 AromaticContact CE1-CD2 3.5Å; F33-F109 HydrophobicContact CE1-CD2 3.5Å; F33-F109 AromaticContact CE1-CE1 3.75Å; F33-F109 HydrophobicContact CE1-CE1 3.75Å; F33-F109 AromaticContact CE1-CE2 3.26Å; F33-F109 HydrophobicContact CE1-CE2 3.26Å; F33-F109 AromaticContact CE1-CG 3.85Å; F33-F109 HydrophobicContact CE1-CG 3.85Å; F33-F109 AromaticContact CE1-CZ 3.39Å; F33-F109 HydrophobicContact CE1-CZ 3.39Å; F33-F109 AromaticContact CZ-CE1 3.99Å; F33-F109 HydrophobicContact CZ-CE1 3.99Å; F33-F109 HydrophobicContact CZ-CE2 4.05Å; F33-F109 AromaticContact CZ-CZ 3.73Å; F33-F109 HydrophobicContact CZ-CZ 3.73Å
34R96.5Very high92.2Very high63 Ų6372 Ų7224%0.23834%0.338CS..EExtended strand (participates in β ladder)trans-111.6145.7173.761.5174.6-170.5111.6-14.2112.7G22 L23 K24 I26 F104 K105 V106G22-R34 WeakPolarHBondContact O-CG 3.47Å; G22-R34 PolarHBondContact O-NH1 3.06Å; G22-R34 VanDerWaalsContact O-NH1 3.1Å; L23-R34 WeakPolarHBondContact CA-O 3.07Å; L23-R34 WeakPolarHBondContact CD1-O 3.38Å; K24-R34 PolarHBondContact N-O 2.68Å; K24-R34 PolarHBondContact O-N 2.97Å; I26-R34 HydrophobicContact CD1-CB 3.94Å; I26-R34 HydrophobicContact CD1-CG 4.33Å; I26-R34 HydrophobicContact CG1-CB 4.47Å; I26-R34 HydrophobicContact CG1-CG 4.39Å; R34-F104 HydrophobicContact CB-CB 4.25Å; R34-F104 HydrophobicContact CB-CD2 3.7Å; R34-F104 HydrophobicContact CB-CE2 4.4Å; R34-F104 HydrophobicContact CB-CG 4.19Å; R34-F104 HydrophobicContact CG-CD2 4.41Å; R34-K105 CarbonylContact C-O 3.48Å; R34-K105 WeakPolarHBondContact CA-O 3.26Å; R34-V106 HydrophobicContact CB-CG2 4.13Å
35I96.9Very high92.1Very high0 Ų069.5 Ų69.50%033%0.326CS..EExtended strand (participates in β ladder)trans-115.6132.6172.1-58.2-176.8000108L11 L23 F33 W37 I52 L83 F104 K105 Y107L11-I35 HydrophobicContact CD2-CD1 4.44Å; L23-I35 HydrophobicContact CD1-CG1 4.04Å; F33-I35 HydrophobicContact CD2-CG1 4.15Å; F33-I35 HydrophobicContact CE2-CD1 4.05Å; F33-I35 HydrophobicContact CE2-CG1 3.98Å; I35-W37 HydrophobicContact CB-CE3 4.43Å; I35-W37 HydrophobicContact CG2-CE3 3.93Å; I35-W37 HydrophobicContact CG2-CZ3 4.01Å; I35-I52 HydrophobicContact CD1-CD1 4.35Å; I35-I52 HydrophobicContact CG1-CD1 4.29Å; I35-I52 HydrophobicContact CG2-CD1 3.7Å; I35-I52 HydrophobicContact CG2-CG2 4.12Å; I35-L83 HydrophobicContact CD1-CD1 3.78Å; I35-L83 HydrophobicContact CD1-CD2 4.12Å; I35-F104 VanDerWaalsContact O-CA 3.31Å; I35-F104 WeakPolarHBondContact O-CA 3.35Å; I35-F104 WeakPolarHBondContact O-CB 3.42Å; I35-K105 PolarHBondContact N-O 3.17Å; I35-K105 PolarHBondContact O-N 2.82Å; I35-Y107 HydrophobicContact CB-CE2 4.31Å; I35-Y107 HydrophobicContact CD1-CD2 3.75Å; I35-Y107 HydrophobicContact CD1-CE2 3.72Å; I35-Y107 HydrophobicContact CG1-CD2 3.96Å; I35-Y107 HydrophobicContact CG1-CE2 4.1Å
36P95.5Very high91.9Very high8 Ų869.4 Ų69.45%0.05233%0.333CS..EExtended strand (participates in β ladder)trans-62139.8172.928.9-36.2000110.6I52P36-I52 HydrophobicContact CG-CG2 4.3Å
37W94.2Very high91.7Very high35 Ų3571.1 Ų71.113%0.13334%0.339CS..  trans-135.719.6-171.3-145-97.6000114.6I35 F53 K76 R80 L83 L98 P103 K105I35-W37 HydrophobicContact CB-CE3 4.43Å; I35-W37 HydrophobicContact CG2-CE3 3.93Å; I35-W37 HydrophobicContact CG2-CZ3 4.01Å; W37-F53 HydrophobicContact CE3-CE1 4.3Å; W37-F53 HydrophobicContact CE3-CZ 4.08Å; W37-F53 HydrophobicContact CH2-CE1 4.39Å; W37-F53 AromaticContact CZ3-CE1 3.94Å; W37-F53 HydrophobicContact CZ3-CE1 3.94Å; W37-F53 HydrophobicContact CZ3-CZ 4.19Å; W37-K76 VanDerWaalsContact C-NZ 3.33Å; W37-K76 PolarHBondContact O-NZ 2.85Å; W37-R80 HydrophobicContact CH2-CB 4.05Å; W37-R80 HydrophobicContact CZ2-CB 4.07Å; W37-R80 HydrophobicContact CZ2-CG 4.33Å; W37-L83 HydrophobicContact CH2-CD1 4.28Å; W37-L83 HydrophobicContact CZ3-CD1 4.27Å; W37-L98 HydrophobicContact CB-CD2 4.42Å; W37-P103 PolarHBondContact N-O 3.21Å; W37-K105 HydrophobicContact CB-CG 3.93Å; W37-K105 HydrophobicContact CD2-CB 4.37Å; W37-K105 HydrophobicContact CD2-CD 3.71Å; W37-K105 HydrophobicContact CD2-CG 3.82Å; W37-K105 HydrophobicContact CE3-CB 4.27Å; W37-K105 HydrophobicContact CE3-CD 4.16Å; W37-K105 HydrophobicContact CE3-CG 4.21Å; W37-K105 HydrophobicContact CG-CB 4.49Å; W37-K105 HydrophobicContact CG-CD 3.94Å; W37-K105 HydrophobicContact CG-CG 3.67Å; W37-K105 HydrophobicContact CZ2-CD 4.23Å
38K93.4Very high91.7Very high12 Ų1274.6 Ų74.65%0.05236%0.357CS..  trans-50138.3179.6-159.9151141.2-148.70112.8K42 T44 D49 K76 E102 P103K38-K42 HydrophobicContact CG-CD 4.16Å; K38-T44 WeakPolarHBondContact CE-O 3.45Å; K38-T44 PolarHBondContact NZ-O 3.18Å; K38-D49 HydrophobicContact CB-CB 4.27Å; K38-D49 WeakPolarHBondContact CD-OD1 3.44Å; K38-D49 WeakPolarHBondContact CD-OD2 3.46Å; K38-D49 WeakPolarHBondContact CE-OD1 3.37Å; K38-D49 WeakPolarHBondContact CE-OD2 3.46Å; K38-D49 IonicContact NZ-OD1 3.64Å; K38-D49 PolarHBondContact NZ-OD1 3.26Å; K38-D49 IonicContact NZ-OD2 3.47Å; K38-D49 PolarHBondContact NZ-OD2 2.93Å; K38-K76 PolarHBondContact O-NZ 2.85Å; K38-E102 WeakPolarHBondContact CD-OE1 3.35Å; K38-E102 WeakPolarHBondContact CD-OE2 3.49Å; K38-E102 VanDerWaalsContact CE-OE1 3.27Å; K38-E102 WeakPolarHBondContact CE-OE1 3.28Å; K38-E102 IonicContact NZ-OE1 3.54Å; K38-E102 PolarHBondContact NZ-OE1 3.41Å; K38-E102 IonicContact NZ-OE2 2.75Å; K38-E102 PolarHBondContact NZ-OE2 3.37Å; K38-P103 HydrophobicContact CB-CG 4.09Å; K38-P103 HydrophobicContact CG-CG 4.35Å
39H90.2Very high91.7Very high119 Ų11967.6 Ų67.655%0.55133%0.332SS*.  trans-86.7134.3-174.4-161.1-102.1000109.7S41 K42H39-S41 PolarHBondContact CE1-OG 2.59Å; H39-S41 PolarHBondContact ND1-OG 3.01Å; H39-S41 PolarHBondContact O-N 3.3Å; H39-K42 PolarHBondContact O-N 2.86Å
40H86.7Confident91.9Very high91 Ų9158.9 Ų58.942%0.42129%0.292SS..THydrogen-bonded Turntrans-64-10.2-175.8-17455.3000113.6W45 W72H40-W45 AromaticContact CE1-CE3 3.68Å; H40-W45 AromaticContact CE1-CH2 3.5Å; H40-W45 AromaticContact CE1-CZ2 3.92Å; H40-W45 AromaticContact CE1-CZ3 3.38Å; H40-W45 WeakPolarHBondContact CE1-CZ3 3.42Å; H40-W45 AromaticContact ND1-CD2 3.26Å; H40-W45 VanDerWaalsContact ND1-CD2 3.26Å; H40-W45 AromaticContact ND1-CE2 3.3Å; H40-W45 VanDerWaalsContact ND1-CE2 3.3Å; H40-W45 AromaticContact ND1-CE3 3.28Å; H40-W45 VanDerWaalsContact ND1-CE3 3.28Å; H40-W45 AromaticContact ND1-CH2 3.44Å; H40-W45 WeakPolarHBondContact ND1-CH2 3.39Å; H40-W45 AromaticContact ND1-CZ2 3.39Å; H40-W45 WeakPolarHBondContact ND1-CZ2 3.5Å; H40-W45 AromaticContact ND1-CZ3 3.38Å; H40-W45 WeakPolarHBondContact ND1-CZ3 3.34Å; H40-W72 AromaticContact CE1-CD1 3.75Å
41S87.2Confident92.3Very high97 Ų9754 Ų5468%0.67827%0.274SS*.THydrogen-bonded Turntrans-99.16.4171.777.80000114.7H39H39-S41 PolarHBondContact CE1-OG 2.59Å; H39-S41 PolarHBondContact ND1-OG 3.01Å; H39-S41 PolarHBondContact O-N 3.3Å
42K87.4Confident92.4Very high69 Ų6953.6 Ų53.630%0.327%0.269SS..SBendtrans-72.2137.1163.9-79.9-155.2-175.7-171.40107.7K38 H39 T44 W45 C100 E101K38-K42 HydrophobicContact CG-CD 4.16Å; H39-K42 PolarHBondContact O-N 2.86Å; K42-T44 PolarHBondContact O-N 3.2Å; K42-W45 WeakPolarHBondContact O-CB 3.42Å; K42-W45 PolarHBondContact O-N 2.98Å; K42-W45 VanDerWaalsContact O-N 3.07Å; K42-C100 PolarHBondContact NZ-O 2.98Å; K42-C100 VanDerWaalsContact NZ-O 3.15Å; K42-E101 PolarHBondContact NZ-O 2.84Å
43H89Confident92.5Very high189 Ų18953.2 Ų53.288%0.87527%0.267SS*.THydrogen-bonded Turntrans-65.8-19.7175.263.9-97.7000113.2W45H43-W45 VanDerWaalsContact C-N 3.27Å
44T90.4Very high92.5Very high57 Ų5756 Ų5635%0.3528%0.279SS..THydrogen-bonded Turntrans-84.99.717357.80000113.9K38 K42K38-T44 WeakPolarHBondContact CE-O 3.45Å; K38-T44 PolarHBondContact NZ-O 3.18Å; K42-T44 PolarHBondContact O-N 3.2Å
45W92.1Very high92.4Very high53 Ų5354 Ų5420%0.20127%0.273CS..  trans-75.9131.2-178.2-17782.4000112.5H40 K42 H43 E47 D49 A50 W72H40-W45 AromaticContact CE1-CE3 3.68Å; H40-W45 AromaticContact CE1-CH2 3.5Å; H40-W45 AromaticContact CE1-CZ2 3.92Å; H40-W45 AromaticContact CE1-CZ3 3.38Å; H40-W45 WeakPolarHBondContact CE1-CZ3 3.42Å; H40-W45 AromaticContact ND1-CD2 3.26Å; H40-W45 VanDerWaalsContact ND1-CD2 3.26Å; H40-W45 AromaticContact ND1-CE2 3.3Å; H40-W45 VanDerWaalsContact ND1-CE2 3.3Å; H40-W45 AromaticContact ND1-CE3 3.28Å; H40-W45 VanDerWaalsContact ND1-CE3 3.28Å; H40-W45 AromaticContact ND1-CH2 3.44Å; H40-W45 WeakPolarHBondContact ND1-CH2 3.39Å; H40-W45 AromaticContact ND1-CZ2 3.39Å; H40-W45 WeakPolarHBondContact ND1-CZ2 3.5Å; H40-W45 AromaticContact ND1-CZ3 3.38Å; H40-W45 WeakPolarHBondContact ND1-CZ3 3.34Å; K42-W45 WeakPolarHBondContact O-CB 3.42Å; K42-W45 PolarHBondContact O-N 2.98Å; K42-W45 VanDerWaalsContact O-N 3.07Å; H43-W45 VanDerWaalsContact C-N 3.27Å; W45-E47 HydrophobicContact CH2-CG 4.4Å; W45-D49 WeakPolarHBondContact CA-OD2 3.46Å; W45-A50 HydrophobicContact CZ2-CB 3.93Å; W45-W72 AromaticContact CH2-CD1 3.85Å; W45-W72 AromaticContact CH2-CD2 3.97Å; W45-W72 HydrophobicContact CH2-CD2 3.97Å; W45-W72 AromaticContact CH2-CE2 3.94Å; W45-W72 AromaticContact CH2-CG 3.93Å; W45-W72 HydrophobicContact CH2-CG 3.93Å; W45-W72 AromaticContact CH2-NE1 3.86Å; W45-W72 HydrophobicContact CZ2-CB 4.29Å; W45-W72 HydrophobicContact CZ2-CD2 4.2Å; W45-W72 HydrophobicContact CZ2-CG 4.05Å
46T92.3Very high92.4Very high61 Ų6155 Ų5537%0.37428%0.277SS..  trans-122169.1174.673.20000111.4D48 D49T46-D48 PolarHBondContact O-N 2.94Å; T46-D48 PolarHBondContact OG1-N 2.98Å; T46-D48 PolarHBondContact OG1-OD2 2.9Å; T46-D48 VanDerWaalsContact OG1-OD2 3.1Å; T46-D49 PolarHBondContact N-OD2 3.35Å; T46-D49 WeakPolarHBondContact O-CB 3.45Å; T46-D49 PolarHBondContact O-N 3.28Å
47E90.6Very high92.4Very high117 Ų11754.7 Ų54.755%0.54728%0.275SS..SBendtrans-62.5-27.6174.4-62.1-161.317300112.6W45 D49 A50 A51 W72W45-E47 HydrophobicContact CH2-CG 4.4Å; E47-D49 VanDerWaalsContact C-N 3.34Å; E47-D49 PolarHBondContact O-N 2.97Å; E47-A50 CarbonylContact O-C 3.53Å; E47-A50 WeakPolarHBondContact O-CA 3.35Å; E47-A50 PolarHBondContact O-N 2.68Å; E47-A51 PolarHBondContact O-N 3.11Å; E47-W72 HydrophobicContact CB-CH2 3.91Å; E47-W72 HydrophobicContact CB-CZ2 4.37Å; E47-W72 HydrophobicContact CB-CZ3 4.43Å; E47-W72 VanDerWaalsContact CD-CZ2 3.46Å; E47-W72 HydrophobicContact CG-CH2 3.8Å; E47-W72 HydrophobicContact CG-CZ2 3.77Å; E47-W72 WeakPolarHBondContact OE1-CZ2 3.33Å; E47-W72 WeakPolarHBondContact OE2-CH2 3.28Å
48D91.8Very high92.3Very high107 Ų10756 Ų5657%0.57229%0.287SS*.G310 helixtrans-65.8-34.2179.3-46.8-73.6000112.5T46 A50 A51T46-D48 PolarHBondContact O-N 2.94Å; T46-D48 PolarHBondContact OG1-N 2.98Å; T46-D48 PolarHBondContact OG1-OD2 2.9Å; T46-D48 VanDerWaalsContact OG1-OD2 3.1Å; D48-A50 PolarHBondContact O-N 2.95Å; D48-A51 WeakPolarHBondContact O-CB 3.5Å; D48-A51 PolarHBondContact O-N 2.81Å
49D92.3Very high92.3Very high15 Ų1557.7 Ų57.78%0.0830%0.298CS..G310 helixtrans-57-20.7170.6-67.6-35.6000112.8K38 W45 T46 E47K38-D49 HydrophobicContact CB-CB 4.27Å; K38-D49 WeakPolarHBondContact CD-OD1 3.44Å; K38-D49 WeakPolarHBondContact CD-OD2 3.46Å; K38-D49 WeakPolarHBondContact CE-OD1 3.37Å; K38-D49 WeakPolarHBondContact CE-OD2 3.46Å; K38-D49 IonicContact NZ-OD1 3.64Å; K38-D49 PolarHBondContact NZ-OD1 3.26Å; K38-D49 IonicContact NZ-OD2 3.47Å; K38-D49 PolarHBondContact NZ-OD2 2.93Å; W45-D49 WeakPolarHBondContact CA-OD2 3.46Å; T46-D49 PolarHBondContact N-OD2 3.35Å; T46-D49 WeakPolarHBondContact O-CB 3.45Å; T46-D49 PolarHBondContact O-N 3.28Å; E47-D49 VanDerWaalsContact C-N 3.34Å; E47-D49 PolarHBondContact O-N 2.97Å
50A93.1Very high92.5Very high1 Ų154 Ų541%0.00828%0.284CS..G310 helixtrans-107.16.1177.800000114.3W45 E47 D48 I52 F53 K54 W72W45-A50 HydrophobicContact CZ2-CB 3.93Å; E47-A50 CarbonylContact O-C 3.53Å; E47-A50 WeakPolarHBondContact O-CA 3.35Å; E47-A50 PolarHBondContact O-N 2.68Å; D48-A50 PolarHBondContact O-N 2.95Å; A50-I52 VanDerWaalsContact C-N 3.28Å; A50-I52 PolarHBondContact O-N 3.16Å; A50-F53 HydrophobicContact CB-CD2 3.98Å; A50-F53 WeakPolarHBondContact O-CA 3.3Å; A50-F53 PolarHBondContact O-N 3.16Å; A50-K54 WeakPolarHBondContact O-CB 3.3Å; A50-K54 PolarHBondContact O-N 3.26Å; A50-W72 HydrophobicContact CB-CD2 4.32Å; A50-W72 HydrophobicContact CB-CE3 3.51Å; A50-W72 HydrophobicContact CB-CZ3 4.05Å
51A95.3Very high92.7Very high18 Ų1852 Ų5215%0.14929%0.288CS..Hα-helixtrans-51.6-42.8-18000000113W19 I20 E47 D48 K54 D55W19-A51 HydrophobicContact CZ3-CB 4.43Å; I20-A51 HydrophobicContact CG2-CB 4.35Å; E47-A51 PolarHBondContact O-N 3.11Å; D48-A51 WeakPolarHBondContact O-CB 3.5Å; D48-A51 PolarHBondContact O-N 2.81Å; A51-K54 PolarHBondContact O-N 2.84Å; A51-D55 WeakPolarHBondContact O-CB 3.43Å; A51-D55 PolarHBondContact O-N 3.43Å
52I96Very high92.9Very high1 Ų154.3 Ų54.31%0.00528%0.282CS..Hα-helixtrans-67.5-35.5176.3-163.3179.6000113.4W10 L11 I20 L23 I35 P36 A50 W56 L79W10-I52 HydrophobicContact CH2-CD1 4.37Å; W10-I52 HydrophobicContact CH2-CG1 3.82Å; W10-I52 HydrophobicContact CZ2-CG1 4.36Å; L11-I52 HydrophobicContact CD1-CD1 4.04Å; I20-I52 HydrophobicContact CD1-CB 4.27Å; I20-I52 HydrophobicContact CD1-CG1 4.31Å; I20-I52 HydrophobicContact CG2-CB 4.08Å; L23-I52 HydrophobicContact CD1-CD1 3.78Å; L23-I52 HydrophobicContact CD2-CD1 3.77Å; L23-I52 HydrophobicContact CD2-CG1 4.24Å; L23-I52 HydrophobicContact CG-CD1 4.27Å; I35-I52 HydrophobicContact CD1-CD1 4.35Å; I35-I52 HydrophobicContact CG1-CD1 4.29Å; I35-I52 HydrophobicContact CG2-CD1 3.7Å; I35-I52 HydrophobicContact CG2-CG2 4.12Å; P36-I52 HydrophobicContact CG-CG2 4.3Å; A50-I52 VanDerWaalsContact C-N 3.28Å; A50-I52 PolarHBondContact O-N 3.16Å; I52-W56 WeakPolarHBondContact O-CB 3.43Å; I52-W56 PolarHBondContact O-N 2.83Å; I52-W56 VanDerWaalsContact O-N 3.14Å; I52-L79 HydrophobicContact CD1-CD2 4.11Å; I52-L79 HydrophobicContact CG1-CD2 4.03Å; I52-L79 HydrophobicContact CG2-CD2 4.35Å
53F95.9Very high93.3Very high4 Ų452 Ų522%0.01827%0.272CS..Hα-helixtrans-73.1-37.6177.9-50.4-52.5000110.3W37 A50 A57 W75 K76 L79W37-F53 HydrophobicContact CE3-CE1 4.3Å; W37-F53 HydrophobicContact CE3-CZ 4.08Å; W37-F53 HydrophobicContact CH2-CE1 4.39Å; W37-F53 AromaticContact CZ3-CE1 3.94Å; W37-F53 HydrophobicContact CZ3-CE1 3.94Å; W37-F53 HydrophobicContact CZ3-CZ 4.19Å; A50-F53 HydrophobicContact CB-CD2 3.98Å; A50-F53 WeakPolarHBondContact O-CA 3.3Å; A50-F53 PolarHBondContact O-N 3.16Å; F53-A57 WeakPolarHBondContact O-CB 3.32Å; F53-A57 PolarHBondContact O-N 2.83Å; F53-W75 HydrophobicContact CB-CB 3.84Å; F53-K76 HydrophobicContact CD1-CB 4.07Å; F53-K76 HydrophobicContact CD1-CG 4.13Å; F53-K76 HydrophobicContact CD2-CB 3.96Å; F53-K76 HydrophobicContact CD2-CD 4.28Å; F53-K76 HydrophobicContact CD2-CG 4.14Å; F53-K76 HydrophobicContact CE1-CB 4.27Å; F53-K76 HydrophobicContact CE1-CD 4.5Å; F53-K76 HydrophobicContact CE1-CG 3.8Å; F53-K76 HydrophobicContact CE2-CB 4.21Å; F53-K76 HydrophobicContact CE2-CD 3.75Å; F53-K76 HydrophobicContact CE2-CG 3.86Å; F53-K76 HydrophobicContact CG-CB 3.95Å; F53-K76 HydrophobicContact CG-CG 4.32Å; F53-K76 HydrophobicContact CZ-CB 4.37Å; F53-K76 HydrophobicContact CZ-CD 3.89Å; F53-K76 HydrophobicContact CZ-CG 3.7Å; F53-L79 HydrophobicContact CD1-CB 3.98Å; F53-L79 HydrophobicContact CD1-CD2 3.6Å; F53-L79 HydrophobicContact CD1-CG 4.34Å; F53-L79 HydrophobicContact CE1-CB 4.48Å; F53-L79 HydrophobicContact CE1-CD2 3.83Å
54K95.4Very high93.4Very high59 Ų5949.3 Ų49.326%0.25725%0.253SS..Hα-helixtrans-63.3-54174.1-174.8-176.4178.5-167.50111.5A50 A51 W56 A57 V58 Y63 E65 W72 W75A50-K54 WeakPolarHBondContact O-CB 3.3Å; A50-K54 PolarHBondContact O-N 3.26Å; A51-K54 PolarHBondContact O-N 2.84Å; K54-W56 VanDerWaalsContact C-N 3.34Å; K54-W56 PolarHBondContact O-N 3.34Å; K54-A57 WeakPolarHBondContact O-CA 3.32Å; K54-A57 WeakPolarHBondContact O-CB 3.19Å; K54-A57 PolarHBondContact O-N 2.83Å; K54-V58 WeakPolarHBondContact O-CG2 3.47Å; K54-V58 PolarHBondContact O-N 2.79Å; K54-Y63 HydrophobicContact CG-CD1 4.49Å; K54-Y63 HydrophobicContact CG-CE1 4.28Å; K54-E65 WeakPolarHBondContact CE-OE1 3.39Å; K54-E65 IonicContact NZ-OE1 3.4Å; K54-E65 PolarHBondContact NZ-OE1 3.43Å; K54-W72 HydrophobicContact CB-CZ3 4.4Å; K54-W72 HydrophobicContact CD-CZ3 4.33Å; K54-W75 HydrophobicContact CB-CE3 3.97Å; K54-W75 HydrophobicContact CB-CZ3 3.76Å; K54-W75 HydrophobicContact CG-CE3 4.39Å; K54-W75 HydrophobicContact CG-CH2 4.41Å; K54-W75 HydrophobicContact CG-CZ3 3.75Å
55D95.7Very high93.4Very high21 Ų2152.1 Ų52.111%0.11226%0.263CS..Hα-helixtrans-60.2-41.3179.2177.674.3000111.6W10 R14 W19 A51 A57 V58 V59W10-D55 VanDerWaalsContact CE2-OD2 3.25Å; W10-D55 VanDerWaalsContact CZ2-OD2 3.28Å; W10-D55 WeakPolarHBondContact CZ2-OD2 3.14Å; W10-D55 PolarHBondContact NE1-OD2 2.8Å; R14-D55 IonicContact CZ-OD1 3.79Å; R14-D55 IonicContact CZ-OD2 2.8Å; R14-D55 IonicContact NE-OD1 3.99Å; R14-D55 PolarHBondContact NE-OD1 3.12Å; R14-D55 IonicContact NE-OD2 3.62Å; R14-D55 PolarHBondContact NE-OD2 2.93Å; R14-D55 IonicContact NH2-OD1 2.82Å; R14-D55 PolarHBondContact NH2-OD1 3.25Å; R14-D55 IonicContact NH2-OD2 3.55Å; R14-D55 PolarHBondContact NH2-OD2 2.9Å; W19-D55 HydrophobicContact CH2-CB 4.25Å; W19-D55 HydrophobicContact CZ2-CB 4.35Å; A51-D55 WeakPolarHBondContact O-CB 3.43Å; A51-D55 PolarHBondContact O-N 3.43Å; D55-A57 VanDerWaalsContact C-N 3.31Å; D55-A57 PolarHBondContact O-N 3.19Å; D55-V58 PolarHBondContact O-N 2.92Å; D55-V59 VanDerWaalsContact O-CB 3.26Å; D55-V59 WeakPolarHBondContact O-CB 3.35Å; D55-V59 VanDerWaalsContact O-CG2 3.24Å; D55-V59 WeakPolarHBondContact O-CG2 3.25Å; D55-V59 PolarHBondContact O-N 2.9Å
56W95.5Very high93.4Very high21 Ų2153.7 Ų53.78%0.0830%0.296CS..Hα-helixtrans-60.7-38.6172.4-175.4-122000112.8V5 L7 W10 I52 K54 T60 L79 A82V5-W56 HydrophobicContact CG1-CZ3 4.21Å; L7-W56 HydrophobicContact CB-CH2 3.9Å; L7-W56 HydrophobicContact CB-CZ2 4.34Å; L7-W56 HydrophobicContact CB-CZ3 4.49Å; L7-W56 HydrophobicContact CD1-CD2 4.13Å; L7-W56 HydrophobicContact CD1-CE3 4.07Å; L7-W56 HydrophobicContact CD1-CH2 3.7Å; L7-W56 HydrophobicContact CD1-CZ2 3.73Å; L7-W56 HydrophobicContact CD1-CZ3 3.86Å; L7-W56 HydrophobicContact CG-CH2 4.42Å; W10-W56 HydrophobicContact CB-CZ3 4.35Å; W10-W56 AromaticContact CD2-CE3 3.48Å; W10-W56 HydrophobicContact CD2-CE3 3.48Å; W10-W56 VanDerWaalsContact CD2-CE3 3.48Å; W10-W56 AromaticContact CD2-CZ3 3.82Å; W10-W56 HydrophobicContact CD2-CZ3 3.82Å; W10-W56 AromaticContact CE2-CE3 3.78Å; W10-W56 HydrophobicContact CE3-CD2 4.3Å; W10-W56 AromaticContact CE3-CE3 3.43Å; W10-W56 HydrophobicContact CE3-CE3 3.43Å; W10-W56 VanDerWaalsContact CE3-CE3 3.43Å; W10-W56 AromaticContact CE3-CZ3 3.73Å; W10-W56 HydrophobicContact CE3-CZ3 3.73Å; W10-W56 HydrophobicContact CG-CE3 4.12Å; W10-W56 HydrophobicContact CG-CZ3 4.09Å; W10-W56 HydrophobicContact CH2-CB 3.67Å; W10-W56 HydrophobicContact CH2-CD2 4.27Å; W10-W56 HydrophobicContact CH2-CE3 4Å; W10-W56 HydrophobicContact CH2-CG 4.18Å; W10-W56 HydrophobicContact CZ2-CB 3.74Å; W10-W56 HydrophobicContact CZ2-CE3 4.05Å; W10-W56 HydrophobicContact CZ2-CG 4.49Å; W10-W56 HydrophobicContact CZ3-CB 4.4Å; W10-W56 HydrophobicContact CZ3-CD2 4.13Å; W10-W56 AromaticContact CZ3-CE3 3.7Å; W10-W56 HydrophobicContact CZ3-CE3 3.7Å; W10-W56 HydrophobicContact CZ3-CG 4.45Å; W10-W56 HydrophobicContact CZ3-CZ3 4.36Å; I52-W56 WeakPolarHBondContact O-CB 3.43Å; I52-W56 PolarHBondContact O-N 2.83Å; I52-W56 VanDerWaalsContact O-N 3.14Å; K54-W56 VanDerWaalsContact C-N 3.34Å; K54-W56 PolarHBondContact O-N 3.34Å; W56-T60 HydrophobicContact CD2-CG2 3.79Å; W56-T60 HydrophobicContact CE3-CG2 3.84Å; W56-T60 HydrophobicContact CH2-CG2 3.63Å; W56-T60 HydrophobicContact CZ2-CG2 3.58Å; W56-T60 HydrophobicContact CZ3-CG2 3.76Å; W56-T60 WeakPolarHBondContact O-CB 3.2Å; W56-T60 WeakPolarHBondContact O-CG2 3.19Å; W56-T60 PolarHBondContact O-N 2.9Å; W56-T60 VanDerWaalsContact O-N 3.08Å; W56-T60 PolarHBondContact O-OG1 2.94Å; W56-L79 HydrophobicContact CB-CD1 4.43Å; W56-L79 HydrophobicContact CD2-CD1 4.17Å; W56-L79 HydrophobicContact CG-CB 4.43Å; W56-L79 HydrophobicContact CG-CD1 3.88Å; W56-A82 HydrophobicContact CZ2-CB 4.06Å
57A95Very high93.4Very high2 Ų256.3 Ų56.32%0.01731%0.306CS..Hα-helixtrans-69.8-39.1177.900000112.5F53 K54 D55 R62 Y63 W75F53-A57 WeakPolarHBondContact O-CB 3.32Å; F53-A57 PolarHBondContact O-N 2.83Å; K54-A57 WeakPolarHBondContact O-CA 3.32Å; K54-A57 WeakPolarHBondContact O-CB 3.19Å; K54-A57 PolarHBondContact O-N 2.83Å; D55-A57 VanDerWaalsContact C-N 3.31Å; D55-A57 PolarHBondContact O-N 3.19Å; A57-R62 CarbonylContact O-C 3.51Å; A57-R62 WeakPolarHBondContact O-CA 3.38Å; A57-R62 PolarHBondContact O-N 2.72Å; A57-Y63 PolarHBondContact O-N 3.29Å; A57-W75 HydrophobicContact CB-CB 4.28Å; A57-W75 HydrophobicContact CB-CD2 3.75Å; A57-W75 HydrophobicContact CB-CE3 4.4Å; A57-W75 HydrophobicContact CB-CG 3.65Å
58V94.1Very high93.6Very high62 Ų6253.3 Ų53.338%0.37629%0.294SS..Hα-helixtrans-63.4-56.1172.5175.50000110.3K54 D55 T60 G61 Y63K54-V58 WeakPolarHBondContact O-CG2 3.47Å; K54-V58 PolarHBondContact O-N 2.79Å; D55-V58 PolarHBondContact O-N 2.92Å; V58-T60 PolarHBondContact O-N 3.43Å; V58-G61 PolarHBondContact O-N 2.82Å; V58-Y63 HydrophobicContact CG2-CD1 3.69Å; V58-Y63 HydrophobicContact CG2-CE1 4.19Å
59V93.1Very high93.6Very high47 Ų4754 Ų5429%0.28530%0.302SS..Hα-helixtrans-62.9-26.5-174.3170.30000112.8V5 W10 D55V5-V59 HydrophobicContact CB-CG1 4.14Å; V5-V59 HydrophobicContact CG1-CG1 3.78Å; V5-V59 HydrophobicContact CG2-CG1 3.79Å; W10-V59 HydrophobicContact CG-CG1 4.47Å; D55-V59 VanDerWaalsContact O-CB 3.26Å; D55-V59 WeakPolarHBondContact O-CB 3.35Å; D55-V59 VanDerWaalsContact O-CG2 3.24Å; D55-V59 WeakPolarHBondContact O-CG2 3.25Å; D55-V59 PolarHBondContact O-N 2.9Å
60T92.7Very high93.7Very high43 Ų4356.6 Ų56.626%0.26432%0.32SS..THydrogen-bonded Turntrans-90.83.717556.90000114.8W56 V58 R62W56-T60 HydrophobicContact CD2-CG2 3.79Å; W56-T60 HydrophobicContact CE3-CG2 3.84Å; W56-T60 HydrophobicContact CH2-CG2 3.63Å; W56-T60 HydrophobicContact CZ2-CG2 3.58Å; W56-T60 HydrophobicContact CZ3-CG2 3.76Å; W56-T60 WeakPolarHBondContact O-CB 3.2Å; W56-T60 WeakPolarHBondContact O-CG2 3.19Å; W56-T60 PolarHBondContact O-N 2.9Å; W56-T60 VanDerWaalsContact O-N 3.08Å; W56-T60 PolarHBondContact O-OG1 2.94Å; V58-T60 PolarHBondContact O-N 3.43Å; T60-R62 VanDerWaalsContact C-N 3.31Å; T60-R62 PolarHBondContact O-N 3.01Å; T60-R62 WeakPolarHBondContact OG1-CB 3.22Å; T60-R62 WeakPolarHBondContact OG1-CG 3.39Å
61G92Very high93.7Very high49 Ų4959.6 Ų59.651%0.50534%0.335SS..THydrogen-bonded Turntrans61.542.2-175.400000111.7V58V58-G61 PolarHBondContact O-N 2.82Å
62R92Very high93.5Very high145 Ų14560.3 Ų60.355%0.54733%0.334SS..SBendtrans-121.7-2.6-175.2-72.8-67.6174.5-90.99.6113.5A57 T60 R78A57-R62 CarbonylContact O-C 3.51Å; A57-R62 WeakPolarHBondContact O-CA 3.38Å; A57-R62 PolarHBondContact O-N 2.72Å; T60-R62 VanDerWaalsContact C-N 3.31Å; T60-R62 PolarHBondContact O-N 3.01Å; T60-R62 WeakPolarHBondContact OG1-CB 3.22Å; T60-R62 WeakPolarHBondContact OG1-CG 3.39Å; R62-R78 PolarHBondContact O-NH1 3.38Å
63Y94.2Very high93.3Very high21 Ų2163.6 Ų63.68%0.08236%0.356CS..  trans-153.8143.2165165.7-116.2000107.2K54 A57 V58 E65 D68 P70 W75K54-Y63 HydrophobicContact CG-CD1 4.49Å; K54-Y63 HydrophobicContact CG-CE1 4.28Å; A57-Y63 PolarHBondContact O-N 3.29Å; V58-Y63 HydrophobicContact CG2-CD1 3.69Å; V58-Y63 HydrophobicContact CG2-CE1 4.19Å; Y63-E65 HydrophobicContact CD1-CG 4.46Å; Y63-E65 HydrophobicContact CE1-CG 3.58Å; Y63-D68 HydrophobicContact CD2-CB 3.79Å; Y63-D68 HydrophobicContact CE2-CB 4.31Å; Y63-D68 WeakPolarHBondContact CE2-O 3.3Å; Y63-P70 HydrophobicContact CE2-CG 4.34Å; Y63-W75 AromaticContact CD1-CH2 3.59Å; Y63-W75 HydrophobicContact CD1-CH2 3.59Å; Y63-W75 AromaticContact CD1-CZ2 3.69Å; Y63-W75 HydrophobicContact CD1-CZ2 3.69Å; Y63-W75 HydrophobicContact CD1-CZ3 4.35Å; Y63-W75 AromaticContact CD2-CH2 3.79Å; Y63-W75 HydrophobicContact CD2-CH2 3.79Å; Y63-W75 AromaticContact CD2-CZ2 3.3Å; Y63-W75 HydrophobicContact CD2-CZ2 3.3Å; Y63-W75 AromaticContact CE1-CH2 3.66Å; Y63-W75 HydrophobicContact CE1-CH2 3.66Å; Y63-W75 HydrophobicContact CE1-CZ2 4.14Å; Y63-W75 HydrophobicContact CE1-CZ3 4.46Å; Y63-W75 AromaticContact CE2-CH2 3.85Å; Y63-W75 HydrophobicContact CE2-CH2 3.85Å; Y63-W75 AromaticContact CE2-CZ2 3.79Å; Y63-W75 HydrophobicContact CE2-CZ2 3.79Å; Y63-W75 AromaticContact CG-CE2 3.99Å; Y63-W75 AromaticContact CG-CH2 3.67Å; Y63-W75 HydrophobicContact CG-CH2 3.67Å; Y63-W75 AromaticContact CG-CZ2 3.25Å; Y63-W75 HydrophobicContact CG-CZ2 3.25Å; Y63-W75 AromaticContact CZ-CH2 3.81Å
64R92.3Very high93.2Very high131 Ų13167 Ų6749%0.49437%0.373SS..  trans-131.8120176.9-62.6164.7-66.6167.44.5108.2G66 I67 D68R64-G66 PolarHBondContact O-N 3.41Å; R64-I67 HydrophobicContact CB-CB 4.08Å; R64-I67 HydrophobicContact CB-CD1 4.26Å; R64-I67 HydrophobicContact CB-CG1 4.5Å; R64-I67 PolarHBondContact O-N 2.82Å; R64-I67 VanDerWaalsContact O-N 3.12Å; R64-D68 WeakPolarHBondContact CB-OD2 3.06Å; R64-D68 WeakPolarHBondContact CG-OD2 3.36Å; R64-D68 IonicContact CZ-OD1 2.79Å; R64-D68 IonicContact CZ-OD2 2.69Å; R64-D68 PolarHBondContact N-OD2 2.92Å; R64-D68 IonicContact NE-OD1 3.54Å; R64-D68 IonicContact NE-OD2 3.57Å; R64-D68 PolarHBondContact NE-OD2 3.01Å; R64-D68 IonicContact NH2-OD1 2.76Å; R64-D68 PolarHBondContact NH2-OD1 2.99Å; R64-D68 IonicContact NH2-OD2 2.65Å; R64-D68 PolarHBondContact NH2-OD2 3.42Å; R64-D68 PolarHBondContact O-N 3.12Å
65E90.7Very high93.2Very high116 Ų11664.4 Ų64.454%0.54236%0.361SS..THydrogen-bonded Turntrans-59.9135.8-178.1-60.8-167125.600111.1K54 Y63 I67K54-E65 WeakPolarHBondContact CE-OE1 3.39Å; K54-E65 IonicContact NZ-OE1 3.4Å; K54-E65 PolarHBondContact NZ-OE1 3.43Å; Y63-E65 HydrophobicContact CD1-CG 4.46Å; Y63-E65 HydrophobicContact CE1-CG 3.58Å; E65-I67 PolarHBondContact O-N 3.25Å
66G91.7Very high93.2Very high87 Ų8765 Ų6590%0.89736%0.363SS*.THydrogen-bonded Turntrans72.7-1.9-176.400000116.2R64R64-G66 PolarHBondContact O-N 3.41Å
67I92.7Very high93.1Very high116 Ų11666.6 Ų66.660%0.59538%0.375SS*.THydrogen-bonded Turntrans-120.6-48-179.6-55.5176.4000111.7R64 E65R64-I67 HydrophobicContact CB-CB 4.08Å; R64-I67 HydrophobicContact CB-CD1 4.26Å; R64-I67 HydrophobicContact CB-CG1 4.5Å; R64-I67 PolarHBondContact O-N 2.82Å; R64-I67 VanDerWaalsContact O-N 3.12Å; E65-I67 PolarHBondContact O-N 3.25Å
68D93.5Very high93.1Very high54 Ų5470.9 Ų70.929%0.28939%0.391SS..SBendtrans-98.3152.6179.8-61.6-47.6000110.3Y63 R64Y63-D68 HydrophobicContact CD2-CB 3.79Å; Y63-D68 HydrophobicContact CE2-CB 4.31Å; Y63-D68 WeakPolarHBondContact CE2-O 3.3Å; R64-D68 WeakPolarHBondContact CB-OD2 3.06Å; R64-D68 WeakPolarHBondContact CG-OD2 3.36Å; R64-D68 IonicContact CZ-OD1 2.79Å; R64-D68 IonicContact CZ-OD2 2.69Å; R64-D68 PolarHBondContact N-OD2 2.92Å; R64-D68 IonicContact NE-OD1 3.54Å; R64-D68 IonicContact NE-OD2 3.57Å; R64-D68 PolarHBondContact NE-OD2 3.01Å; R64-D68 IonicContact NH2-OD1 2.76Å; R64-D68 PolarHBondContact NH2-OD1 2.99Å; R64-D68 IonicContact NH2-OD2 2.65Å; R64-D68 PolarHBondContact NH2-OD2 3.42Å; R64-D68 PolarHBondContact O-N 3.12Å
69T93.1Very high93.2Very high121 Ų12168 Ų6874%0.74237%0.373SS*.PPolyproline II helixtrans-79.1139.917351.80000111.3
70P93.2Very high93.3Very high69 Ų6970.9 Ų70.945%0.44838%0.379SS..PPolyproline II helixtrans-57.5137.7173.5-27.236.3000113.9Y63 W72 W75Y63-P70 HydrophobicContact CE2-CG 4.34Å; P70-W72 HydrophobicContact CB-CZ2 3.88Å; P70-W75 HydrophobicContact CB-CH2 3.85Å; P70-W75 HydrophobicContact CB-CZ2 4.31Å
71D93.2Very high93.4Very high64 Ų6471.5 Ų71.534%0.34238%0.384SS..  trans-144.572.5-179.7-175.1-10000110.3P73 M74 W75D71-P73 WeakPolarHBondContact OD1-CD 3.35Å; D71-M74 HydrophobicContact CB-CB 4.08Å; D71-M74 PolarHBondContact O-N 2.9Å; D71-M74 WeakPolarHBondContact OD1-CB 3.37Å; D71-M74 PolarHBondContact OD1-N 2.9Å; D71-M74 WeakPolarHBondContact OD2-CB 3.49Å; D71-W75 VanDerWaalsContact N-CZ2 3.3Å; D71-W75 PolarHBondContact O-N 3.38Å; D71-W75 PolarHBondContact O-NE1 3.14Å
72W91.8Very high93.5Very high33 Ų3370.4 Ų70.413%0.12537%0.37CS..Hα-helixtrans-54.7-43.5-177.3-34.7101.9000113.5H40 W45 E47 A50 K54 P70 M74 W75 K76H40-W72 AromaticContact CE1-CD1 3.75Å; W45-W72 AromaticContact CH2-CD1 3.85Å; W45-W72 AromaticContact CH2-CD2 3.97Å; W45-W72 HydrophobicContact CH2-CD2 3.97Å; W45-W72 AromaticContact CH2-CE2 3.94Å; W45-W72 AromaticContact CH2-CG 3.93Å; W45-W72 HydrophobicContact CH2-CG 3.93Å; W45-W72 AromaticContact CH2-NE1 3.86Å; W45-W72 HydrophobicContact CZ2-CB 4.29Å; W45-W72 HydrophobicContact CZ2-CD2 4.2Å; W45-W72 HydrophobicContact CZ2-CG 4.05Å; E47-W72 HydrophobicContact CB-CH2 3.91Å; E47-W72 HydrophobicContact CB-CZ2 4.37Å; E47-W72 HydrophobicContact CB-CZ3 4.43Å; E47-W72 VanDerWaalsContact CD-CZ2 3.46Å; E47-W72 HydrophobicContact CG-CH2 3.8Å; E47-W72 HydrophobicContact CG-CZ2 3.77Å; E47-W72 WeakPolarHBondContact OE1-CZ2 3.33Å; E47-W72 WeakPolarHBondContact OE2-CH2 3.28Å; A50-W72 HydrophobicContact CB-CD2 4.32Å; A50-W72 HydrophobicContact CB-CE3 3.51Å; A50-W72 HydrophobicContact CB-CZ3 4.05Å; K54-W72 HydrophobicContact CB-CZ3 4.4Å; K54-W72 HydrophobicContact CD-CZ3 4.33Å; P70-W72 HydrophobicContact CB-CZ2 3.88Å; W72-M74 PolarHBondContact O-N 3.02Å; W72-W75 HydrophobicContact CD2-CZ3 4.21Å; W72-W75 AromaticContact CE3-CE3 3.78Å; W72-W75 HydrophobicContact CE3-CE3 3.78Å; W72-W75 HydrophobicContact CE3-CH2 4.4Å; W72-W75 AromaticContact CE3-CZ3 3.44Å; W72-W75 HydrophobicContact CE3-CZ3 3.44Å; W72-W75 VanDerWaalsContact CE3-CZ3 3.44Å; W72-W75 HydrophobicContact CH2-CZ3 4.31Å; W72-W75 HydrophobicContact CZ3-CE3 4.26Å; W72-W75 HydrophobicContact CZ3-CH2 4.4Å; W72-W75 AromaticContact CZ3-CZ3 3.53Å; W72-W75 HydrophobicContact CZ3-CZ3 3.53Å; W72-W75 PolarHBondContact O-N 3.36Å; W72-K76 WeakPolarHBondContact O-CB 3.37Å; W72-K76 PolarHBondContact O-N 3.02Å
73P92.2Very high93.6Very high70 Ų7063.8 Ų63.846%0.45535%0.346SS..Hα-helixtrans-63.2-39.9177.2-23.335.7000113.5D71 T77D71-P73 WeakPolarHBondContact OD1-CD 3.35Å; P73-T77 VanDerWaalsContact O-CB 3.29Å; P73-T77 WeakPolarHBondContact O-CB 3.48Å; P73-T77 PolarHBondContact O-N 3.11Å; P73-T77 PolarHBondContact O-OG1 2.67Å
74M93.4Very high93.5Very high75 Ų7567.5 Ų67.537%0.36937%0.367SS..Hα-helixtrans-68.9-40.1175.1-178.963.360.200111.7D71 W72 T77 R78D71-M74 HydrophobicContact CB-CB 4.08Å; D71-M74 PolarHBondContact O-N 2.9Å; D71-M74 WeakPolarHBondContact OD1-CB 3.37Å; D71-M74 PolarHBondContact OD1-N 2.9Å; D71-M74 WeakPolarHBondContact OD2-CB 3.49Å; W72-M74 PolarHBondContact O-N 3.02Å; M74-T77 CarbonylContact O-C 3.59Å; M74-T77 PolarHBondContact O-N 2.79Å; M74-R78 HydrophobicContact CG-CG 4.39Å; M74-R78 VanDerWaalsContact CG-CZ 3.45Å; M74-R78 VanDerWaalsContact CG-NE 3.34Å; M74-R78 WeakPolarHBondContact O-CB 3.41Å; M74-R78 VanDerWaalsContact O-CG 3.26Å; M74-R78 WeakPolarHBondContact O-CG 3.47Å; M74-R78 PolarHBondContact O-N 3.44Å; M74-R78 HydrophobicContact SD-CG 4.32Å
75W95Very high93.4Very high5 Ų569.5 Ų69.52%0.01938%0.379CS..Hα-helixtrans-66.4-44.4178.9-58-9.1000111.6F53 K54 A57 Y63 P70 D71 W72 T77 R78 L79F53-W75 HydrophobicContact CB-CB 3.84Å; K54-W75 HydrophobicContact CB-CE3 3.97Å; K54-W75 HydrophobicContact CB-CZ3 3.76Å; K54-W75 HydrophobicContact CG-CE3 4.39Å; K54-W75 HydrophobicContact CG-CH2 4.41Å; K54-W75 HydrophobicContact CG-CZ3 3.75Å; A57-W75 HydrophobicContact CB-CB 4.28Å; A57-W75 HydrophobicContact CB-CD2 3.75Å; A57-W75 HydrophobicContact CB-CE3 4.4Å; A57-W75 HydrophobicContact CB-CG 3.65Å; Y63-W75 AromaticContact CD1-CH2 3.59Å; Y63-W75 HydrophobicContact CD1-CH2 3.59Å; Y63-W75 AromaticContact CD1-CZ2 3.69Å; Y63-W75 HydrophobicContact CD1-CZ2 3.69Å; Y63-W75 HydrophobicContact CD1-CZ3 4.35Å; Y63-W75 AromaticContact CD2-CH2 3.79Å; Y63-W75 HydrophobicContact CD2-CH2 3.79Å; Y63-W75 AromaticContact CD2-CZ2 3.3Å; Y63-W75 HydrophobicContact CD2-CZ2 3.3Å; Y63-W75 AromaticContact CE1-CH2 3.66Å; Y63-W75 HydrophobicContact CE1-CH2 3.66Å; Y63-W75 HydrophobicContact CE1-CZ2 4.14Å; Y63-W75 HydrophobicContact CE1-CZ3 4.46Å; Y63-W75 AromaticContact CE2-CH2 3.85Å; Y63-W75 HydrophobicContact CE2-CH2 3.85Å; Y63-W75 AromaticContact CE2-CZ2 3.79Å; Y63-W75 HydrophobicContact CE2-CZ2 3.79Å; Y63-W75 AromaticContact CG-CE2 3.99Å; Y63-W75 AromaticContact CG-CH2 3.67Å; Y63-W75 HydrophobicContact CG-CH2 3.67Å; Y63-W75 AromaticContact CG-CZ2 3.25Å; Y63-W75 HydrophobicContact CG-CZ2 3.25Å; Y63-W75 AromaticContact CZ-CH2 3.81Å; P70-W75 HydrophobicContact CB-CH2 3.85Å; P70-W75 HydrophobicContact CB-CZ2 4.31Å; D71-W75 VanDerWaalsContact N-CZ2 3.3Å; D71-W75 PolarHBondContact O-N 3.38Å; D71-W75 PolarHBondContact O-NE1 3.14Å; W72-W75 HydrophobicContact CD2-CZ3 4.21Å; W72-W75 AromaticContact CE3-CE3 3.78Å; W72-W75 HydrophobicContact CE3-CE3 3.78Å; W72-W75 HydrophobicContact CE3-CH2 4.4Å; W72-W75 AromaticContact CE3-CZ3 3.44Å; W72-W75 HydrophobicContact CE3-CZ3 3.44Å; W72-W75 VanDerWaalsContact CE3-CZ3 3.44Å; W72-W75 HydrophobicContact CH2-CZ3 4.31Å; W72-W75 HydrophobicContact CZ3-CE3 4.26Å; W72-W75 HydrophobicContact CZ3-CH2 4.4Å; W72-W75 AromaticContact CZ3-CZ3 3.53Å; W72-W75 HydrophobicContact CZ3-CZ3 3.53Å; W72-W75 PolarHBondContact O-N 3.36Å; W75-T77 VanDerWaalsContact C-N 3.28Å; W75-T77 PolarHBondContact O-N 2.95Å; W75-R78 PolarHBondContact O-N 2.84Å; W75-R78 VanDerWaalsContact O-N 3.16Å; W75-L79 PolarHBondContact O-N 2.87Å
76K94.8Very high93.4Very high35 Ų3564.6 Ų64.615%0.15236%0.359CS..Hα-helixtrans-59.9-39.2172.3-171.6168.4-169.5-176.10111.8W37 K38 F53 W72 R80W37-K76 VanDerWaalsContact C-NZ 3.33Å; W37-K76 PolarHBondContact O-NZ 2.85Å; K38-K76 PolarHBondContact O-NZ 2.85Å; F53-K76 HydrophobicContact CD1-CB 4.07Å; F53-K76 HydrophobicContact CD1-CG 4.13Å; F53-K76 HydrophobicContact CD2-CB 3.96Å; F53-K76 HydrophobicContact CD2-CD 4.28Å; F53-K76 HydrophobicContact CD2-CG 4.14Å; F53-K76 HydrophobicContact CE1-CB 4.27Å; F53-K76 HydrophobicContact CE1-CD 4.5Å; F53-K76 HydrophobicContact CE1-CG 3.8Å; F53-K76 HydrophobicContact CE2-CB 4.21Å; F53-K76 HydrophobicContact CE2-CD 3.75Å; F53-K76 HydrophobicContact CE2-CG 3.86Å; F53-K76 HydrophobicContact CG-CB 3.95Å; F53-K76 HydrophobicContact CG-CG 4.32Å; F53-K76 HydrophobicContact CZ-CB 4.37Å; F53-K76 HydrophobicContact CZ-CD 3.89Å; F53-K76 HydrophobicContact CZ-CG 3.7Å; W72-K76 WeakPolarHBondContact O-CB 3.37Å; W72-K76 PolarHBondContact O-N 3.02Å; K76-R80 VanDerWaalsContact O-CB 3.27Å; K76-R80 WeakPolarHBondContact O-CB 3.34Å; K76-R80 PolarHBondContact O-N 3.16Å
77T94.5Very high93.3Very high53 Ų5362.6 Ų62.633%0.32533%0.33SS..Hα-helixtrans-66.3-42173.3-69.40000112.5P73 M74 W75 R80 C81P73-T77 VanDerWaalsContact O-CB 3.29Å; P73-T77 WeakPolarHBondContact O-CB 3.48Å; P73-T77 PolarHBondContact O-N 3.11Å; P73-T77 PolarHBondContact O-OG1 2.67Å; M74-T77 CarbonylContact O-C 3.59Å; M74-T77 PolarHBondContact O-N 2.79Å; W75-T77 VanDerWaalsContact C-N 3.28Å; W75-T77 PolarHBondContact O-N 2.95Å; T77-R80 PolarHBondContact O-N 2.83Å; T77-C81 VanDerWaalsContact O-CB 3.32Å; T77-C81 WeakPolarHBondContact O-CB 3.45Å; T77-C81 PolarHBondContact O-N 2.75Å; T77-C81 PolarHBondContact O-SG 3.26Å; T77-C81 VanDerWaalsContact O-SG 3.32Å
78R94.8Very high93.3Very high93 Ų9359 Ų5935%0.35131%0.312SS..Hα-helixtrans-64.3-43.5177.2-74.6170.2-176.3171.54111.7R62 M74 W75 C81 A82R62-R78 PolarHBondContact O-NH1 3.38Å; M74-R78 HydrophobicContact CG-CG 4.39Å; M74-R78 VanDerWaalsContact CG-CZ 3.45Å; M74-R78 VanDerWaalsContact CG-NE 3.34Å; M74-R78 WeakPolarHBondContact O-CB 3.41Å; M74-R78 VanDerWaalsContact O-CG 3.26Å; M74-R78 WeakPolarHBondContact O-CG 3.47Å; M74-R78 PolarHBondContact O-N 3.44Å; M74-R78 HydrophobicContact SD-CG 4.32Å; W75-R78 PolarHBondContact O-N 2.84Å; W75-R78 VanDerWaalsContact O-N 3.16Å; R78-C81 PolarHBondContact O-N 2.83Å; R78-A82 WeakPolarHBondContact O-CB 3.43Å; R78-A82 PolarHBondContact O-N 2.83Å
79L95.6Very high93.3Very high0 Ų056.6 Ų56.60%030%0.299CS..Hα-helixtrans-67.1-45.2176.1-175.755.3000111.5L7 W10 I52 F53 W56 W75 C81 A82 L83L7-L79 HydrophobicContact CD1-CD1 3.52Å; W10-L79 HydrophobicContact CH2-CD1 4.27Å; W10-L79 HydrophobicContact CH2-CD2 4.34Å; W10-L79 HydrophobicContact CZ3-CD1 3.97Å; I52-L79 HydrophobicContact CD1-CD2 4.11Å; I52-L79 HydrophobicContact CG1-CD2 4.03Å; I52-L79 HydrophobicContact CG2-CD2 4.35Å; F53-L79 HydrophobicContact CD1-CB 3.98Å; F53-L79 HydrophobicContact CD1-CD2 3.6Å; F53-L79 HydrophobicContact CD1-CG 4.34Å; F53-L79 HydrophobicContact CE1-CB 4.48Å; F53-L79 HydrophobicContact CE1-CD2 3.83Å; W56-L79 HydrophobicContact CB-CD1 4.43Å; W56-L79 HydrophobicContact CD2-CD1 4.17Å; W56-L79 HydrophobicContact CG-CB 4.43Å; W56-L79 HydrophobicContact CG-CD1 3.88Å; W75-L79 PolarHBondContact O-N 2.87Å; L79-C81 VanDerWaalsContact C-N 3.34Å; L79-C81 PolarHBondContact O-N 2.83Å; L79-A82 WeakPolarHBondContact O-CB 3.28Å; L79-A82 PolarHBondContact O-N 2.84Å; L79-L83 HydrophobicContact CD1-CD1 4.29Å; L79-L83 HydrophobicContact CD1-CG 4.24Å; L79-L83 HydrophobicContact CG-CD1 3.95Å; L79-L83 HydrophobicContact CG-CG 4.41Å; L79-L83 WeakPolarHBondContact O-CG 3.28Å; L79-L83 PolarHBondContact O-N 3.46Å
80R95.2Very high93.2Very high108 Ų10852.2 Ų52.241%0.40827%0.27SS..Hα-helixtrans-53.6-48.5171.8177.517961.4120.6-6.2111.9W37 K76 T77 A82 L83 N84W37-R80 HydrophobicContact CH2-CB 4.05Å; W37-R80 HydrophobicContact CZ2-CB 4.07Å; W37-R80 HydrophobicContact CZ2-CG 4.33Å; K76-R80 VanDerWaalsContact O-CB 3.27Å; K76-R80 WeakPolarHBondContact O-CB 3.34Å; K76-R80 PolarHBondContact O-N 3.16Å; T77-R80 PolarHBondContact O-N 2.83Å; R80-A82 PolarHBondContact O-N 2.88Å; R80-L83 PolarHBondContact O-N 3.08Å; R80-N84 WeakPolarHBondContact O-CB 3.28Å; R80-N84 VanDerWaalsContact O-CG 3.3Å; R80-N84 PolarHBondContact O-N 2.92Å; R80-N84 PolarHBondContact O-OD1 3.39Å
81C94.5Very high93.1Very high57 Ų5751.6 Ų51.639%0.38526%0.261SS..Hα-helixtrans-69.4-19.1178.9-730000114T77 R78 L79 K85T77-C81 VanDerWaalsContact O-CB 3.32Å; T77-C81 WeakPolarHBondContact O-CB 3.45Å; T77-C81 PolarHBondContact O-N 2.75Å; T77-C81 PolarHBondContact O-SG 3.26Å; T77-C81 VanDerWaalsContact O-SG 3.32Å; R78-C81 PolarHBondContact O-N 2.83Å; L79-C81 VanDerWaalsContact C-N 3.34Å; L79-C81 PolarHBondContact O-N 2.83Å; C81-K85 VanDerWaalsContact O-CD 3.32Å; C81-K85 WeakPolarHBondContact O-CD 3.48Å; C81-K85 VanDerWaalsContact O-CG 3.25Å; C81-K85 WeakPolarHBondContact O-CG 3.31Å
82A94.9Very high92.8Very high25 Ų2549.5 Ų49.521%0.20725%0.251CS..Hα-helixtrans-81.7-48.2171.800000111.1L7 W56 R78 L79 R80 N84 K85 A86L7-A82 HydrophobicContact CD1-CB 4.37Å; L7-A82 HydrophobicContact CD2-CB 3.87Å; W56-A82 HydrophobicContact CZ2-CB 4.06Å; R78-A82 WeakPolarHBondContact O-CB 3.43Å; R78-A82 PolarHBondContact O-N 2.83Å; L79-A82 WeakPolarHBondContact O-CB 3.28Å; L79-A82 PolarHBondContact O-N 2.84Å; R80-A82 PolarHBondContact O-N 2.88Å; A82-N84 PolarHBondContact O-N 3.04Å; A82-K85 CarbonylContact O-C 3.55Å; A82-K85 PolarHBondContact O-N 2.98Å; A82-A86 PolarHBondContact O-N 2.89Å
83L95Very high92.5Very high6 Ų652.5 Ų52.53%0.03127%0.265CS..Hα-helixtrans-54.8-49.2174.9-72162000111.3L7 L11 I35 W37 L79 R80 K85 A86 I89 Y107L7-L83 HydrophobicContact CD2-CD2 3.99Å; L7-L83 HydrophobicContact CD2-CG 4.12Å; L11-L83 HydrophobicContact CD2-CD2 4.1Å; I35-L83 HydrophobicContact CD1-CD1 3.78Å; I35-L83 HydrophobicContact CD1-CD2 4.12Å; W37-L83 HydrophobicContact CH2-CD1 4.28Å; W37-L83 HydrophobicContact CZ3-CD1 4.27Å; L79-L83 HydrophobicContact CD1-CD1 4.29Å; L79-L83 HydrophobicContact CD1-CG 4.24Å; L79-L83 HydrophobicContact CG-CD1 3.95Å; L79-L83 HydrophobicContact CG-CG 4.41Å; L79-L83 WeakPolarHBondContact O-CG 3.28Å; L79-L83 PolarHBondContact O-N 3.46Å; R80-L83 PolarHBondContact O-N 3.08Å; L83-K85 PolarHBondContact O-N 3.41Å; L83-K85 VanDerWaalsContact O-N 3.07Å; L83-A86 PolarHBondContact O-N 3.4Å; L83-I89 HydrophobicContact CD2-CD1 4.04Å; L83-I89 HydrophobicContact CD2-CG2 4.24Å; L83-Y107 HydrophobicContact CB-CE1 4.27Å; L83-Y107 HydrophobicContact CD1-CE1 4.27Å; L83-Y107 HydrophobicContact CD1-CE2 4.26Å; L83-Y107 HydrophobicContact CD2-CD1 4.38Å; L83-Y107 HydrophobicContact CD2-CE1 4.42Å
84N90.8Very high91.7Very high100 Ų10051.4 Ų51.454%0.53525%0.253SS..THydrogen-bonded Turntrans-68-5.9179.3-68.532.2000114.3R80 A82R80-N84 WeakPolarHBondContact O-CB 3.28Å; R80-N84 VanDerWaalsContact O-CG 3.3Å; R80-N84 PolarHBondContact O-N 2.92Å; R80-N84 PolarHBondContact O-OD1 3.39Å; A82-N84 PolarHBondContact O-N 3.04Å
85K90Very high91.3Very high172 Ų17252.6 Ų52.675%0.74825%0.254SS*.THydrogen-bonded Turntrans-116.1-4.5177.7-70.7-178.6-176.71790113.4C81 A82 L83 P87C81-K85 VanDerWaalsContact O-CD 3.32Å; C81-K85 WeakPolarHBondContact O-CD 3.48Å; C81-K85 VanDerWaalsContact O-CG 3.25Å; C81-K85 WeakPolarHBondContact O-CG 3.31Å; A82-K85 CarbonylContact O-C 3.55Å; A82-K85 PolarHBondContact O-N 2.98Å; L83-K85 PolarHBondContact O-N 3.41Å; L83-K85 VanDerWaalsContact O-N 3.07Å; K85-P87 WeakPolarHBondContact O-CD 3.35Å
86A92Very high91Very high13 Ų1354.1 Ų54.111%0.10726%0.261CS..  trans-82.6110.1178.500000109.2L7 A82 L83 D88 I89L7-A86 HydrophobicContact CD2-CB 4.04Å; A82-A86 PolarHBondContact O-N 2.89Å; L83-A86 PolarHBondContact O-N 3.4Å; A86-D88 WeakPolarHBondContact CB-OD1 3.29Å; A86-D88 PolarHBondContact O-N 2.87Å; A86-I89 HydrophobicContact CB-CB 4.01Å; A86-I89 HydrophobicContact CB-CD1 3.92Å; A86-I89 HydrophobicContact CB-CG1 3.87Å; A86-I89 PolarHBondContact O-N 2.85Å
87P88.3Confident90.8Very high45 Ų4555.6 Ų55.629%0.29227%0.27SS..THydrogen-bonded Turntrans-69.7-20.6-178.831.5-36.2000112.4K85 I89 R118 A119K85-P87 WeakPolarHBondContact O-CD 3.35Å; P87-I89 VanDerWaalsContact C-N 3.34Å; P87-R118 HydrophobicContact CB-CB 4.31Å; P87-R118 PolarHBondContact O-NE 2.9Å; P87-R118 VanDerWaalsContact O-NE 3.17Å; P87-A119 HydrophobicContact CB-CB 3.71Å; P87-A119 HydrophobicContact CG-CB 3.86Å
88D92.4Very high90.6Very high40 Ų4056.9 Ų56.921%0.21428%0.275CS..THydrogen-bonded Turntrans-87.96.9178.157.9-32.8000114R8 A86 V110R8-D88 WeakPolarHBondContact CB-OD2 3.37Å; R8-D88 WeakPolarHBondContact CD-OD2 3.4Å; R8-D88 PolarHBondContact NH1-O 2.83Å; A86-D88 WeakPolarHBondContact CB-OD1 3.29Å; A86-D88 PolarHBondContact O-N 2.87Å; D88-V110 PolarHBondContact O-N 2.81Å
89I93.9Very high90.2Very high5 Ų561.1 Ų61.13%0.02630%0.299CS..EExtended strand (participates in β ladder)trans-131.8143.6172.4-51.3-178.9000109.1L7 R8 L11 F33 L83 A86 P87 Y107 R108 F109 R118L7-I89 HydrophobicContact CD2-CD1 3.8Å; L7-I89 HydrophobicContact CG-CD1 4.08Å; R8-I89 HydrophobicContact CB-CD1 4.42Å; L11-I89 HydrophobicContact CD2-CD1 4.19Å; F33-I89 HydrophobicContact CZ-CG2 4.29Å; L83-I89 HydrophobicContact CD2-CD1 4.04Å; L83-I89 HydrophobicContact CD2-CG2 4.24Å; A86-I89 HydrophobicContact CB-CB 4.01Å; A86-I89 HydrophobicContact CB-CD1 3.92Å; A86-I89 HydrophobicContact CB-CG1 3.87Å; A86-I89 PolarHBondContact O-N 2.85Å; P87-I89 VanDerWaalsContact C-N 3.34Å; I89-Y107 HydrophobicContact CG2-CD1 4.07Å; I89-Y107 HydrophobicContact CG2-CG 4.39Å; I89-R108 CarbonylContact C-O 3.51Å; I89-R108 WeakPolarHBondContact CA-O 3.33Å; I89-F109 HydrophobicContact CD1-CD1 4.47Å; I89-F109 HydrophobicContact CD1-CE1 3.96Å; I89-F109 HydrophobicContact CG1-CD1 3.95Å; I89-F109 HydrophobicContact CG1-CE1 3.95Å; I89-R118 PolarHBondContact O-NH2 2.96Å
90Q91Very high89.8Confident28 Ų2863 Ų6313%0.13131%0.311CS..EExtended strand (participates in β ladder)trans-126.8135.3170.3-174.9177.227.600110.6Y107 R108 V110Q90-Y107 CarbonylContact O-C 3.49Å; Q90-Y107 WeakPolarHBondContact O-CA 3.08Å; Q90-R108 HydrophobicContact CB-CG 4.04Å; Q90-R108 PolarHBondContact N-O 2.89Å; Q90-R108 PolarHBondContact O-N 2.81Å; Q90-R108 VanDerWaalsContact OE1-CZ 3.26Å; Q90-V110 HydrophobicContact CB-CG2 4.04Å
91E91.3Very high89.4Confident56 Ų5665.1 Ų65.126%0.26233%0.326SS..EExtended strand (participates in β ladder)trans-75.9118.3170.3-172166.4-124.700110K93 H96 K105 Y107E91-K93 PolarHBondContact O-N 2.92Å; E91-H96 IonicContact OE1-CE1 3.07Å; E91-K105 WeakPolarHBondContact OE1-CD 3.44Å; E91-K105 IonicContact OE1-NZ 2.72Å; E91-K105 PolarHBondContact OE1-NZ 2.92Å; E91-K105 IonicContact OE2-NZ 2.62Å; E91-Y107 VanDerWaalsContact CA-CD1 3.49Å; E91-Y107 HydrophobicContact CB-CD1 3.81Å; E91-Y107 HydrophobicContact CB-CE1 3.56Å; E91-Y107 HydrophobicContact CG-CD1 4.14Å; E91-Y107 HydrophobicContact CG-CE1 3.59Å; E91-Y107 PolarHBondContact OE1-OH 3.08Å
92V88.2Confident89.2Confident20 Ų2066.3 Ų66.312%0.12133%0.325CS..  trans-98.871.6179.9-172.60000108Q94 R95 H96 V106 R108V92-Q94 PolarHBondContact O-N 3.07Å; V92-R95 HydrophobicContact CG1-CB 4.37Å; V92-R95 HydrophobicContact CG1-CG 4.04Å; V92-R95 PolarHBondContact O-N 2.72Å; V92-H96 PolarHBondContact O-CD2 3.45Å; V92-H96 PolarHBondContact O-NE2 3.34Å; V92-V106 HydrophobicContact CB-CG1 4.21Å; V92-V106 PolarHBondContact N-O 3.41Å; V92-R108 HydrophobicContact CG2-CB 4.12Å; V92-R108 HydrophobicContact CG2-CG 4.01Å
93K85.8Confident89.2Confident96 Ų9665.4 Ų65.442%0.41732%0.318SS..G310 helixtrans-38.1-44-176.1-74.3-177.3173.4-174.30113.3E91 R95 H96 E321E91-K93 PolarHBondContact O-N 2.92Å; K93-R95 PolarHBondContact O-N 3.05Å; K93-H96 WeakPolarHBondContact CA-NE2 3.35Å; K93-H96 WeakPolarHBondContact O-CB 3.37Å; K93-H96 PolarHBondContact O-CD2 3.17Å; K93-H96 VanDerWaalsContact O-CD2 3.25Å; K93-H96 PolarHBondContact O-N 3.48Å; K93-E321 IonicContact NZ-OE1 2.59Å; K93-E321 PolarHBondContact NZ-OE1 2.86Å; K93-E321 IonicContact NZ-OE2 3.06Å; K93-E321 PolarHBondContact NZ-OE2 2.86Å
94Q73.8Confident89.2Confident47 Ų4767.1 Ų67.122%0.2233%0.325CS..G310 helixtrans-81.30.7-166-44.896.1-31.200113.8V92 S324 P325V92-Q94 PolarHBondContact O-N 3.07Å; Q94-S324 WeakPolarHBondContact CB-O 3.48Å; Q94-S324 WeakPolarHBondContact CG-O 3.49Å; Q94-P325 HydrophobicContact CB-CB 4.28Å; Q94-P325 VanDerWaalsContact CB-N 3.32Å
95R85.1Confident89.4Confident101 Ų10164 Ų6438%0.38131%0.306SS..G310 helixtrans-109.24.2166.4-64.4-173.4-179.1-155.51.5112.2V92 K93 F104 V106 P325V92-R95 HydrophobicContact CG1-CB 4.37Å; V92-R95 HydrophobicContact CG1-CG 4.04Å; V92-R95 PolarHBondContact O-N 2.72Å; K93-R95 PolarHBondContact O-N 3.05Å; R95-F104 WeakPolarHBondContact O-CE2 3.28Å; R95-V106 HydrophobicContact CB-CB 3.78Å; R95-V106 HydrophobicContact CB-CG1 3.81Å; R95-V106 HydrophobicContact CB-CG2 3.83Å; R95-V106 WeakPolarHBondContact O-CG2 3.45Å; R95-P325 HydrophobicContact CG-CB 4.15Å; R95-P325 HydrophobicContact CG-CG 4.43Å
96H89Confident89.6Confident37 Ų3755.8 Ų55.817%0.17127%0.271CS..  trans-69.6147.8177-63.8-163.1000109.2E91 V92 K93 L98 K105 V106E91-H96 IonicContact OE1-CE1 3.07Å; V92-H96 PolarHBondContact O-CD2 3.45Å; V92-H96 PolarHBondContact O-NE2 3.34Å; K93-H96 WeakPolarHBondContact CA-NE2 3.35Å; K93-H96 WeakPolarHBondContact O-CB 3.37Å; K93-H96 PolarHBondContact O-CD2 3.17Å; K93-H96 VanDerWaalsContact O-CD2 3.25Å; K93-H96 PolarHBondContact O-N 3.48Å; H96-L98 HydrophobicContact CB-CG 4.38Å; H96-K105 WeakPolarHBondContact ND1-CG 3.19Å; H96-V106 PolarHBondContact CD2-N 3.4Å; H96-V106 PolarHBondContact NE2-N 3Å; H96-V106 VanDerWaalsContact NE2-N 3.16Å; H96-V106 PolarHBondContact NE2-O 2.89Å
97N90.7Very high89.8Confident65 Ų6555.2 Ų55.235%0.34827%0.266SS..BIsolated β-bridgetrans-127.8105.5162.9-170.6-16.6000107.6H99 C100 P103 F104N97-H99 PolarHBondContact OD1-N 2.95Å; N97-C100 PolarHBondContact OD1-N 2.75Å; N97-C100 VanDerWaalsContact OD1-N 3.1Å; N97-C100 PolarHBondContact OD1-SG 3.43Å; N97-P103 CarbonylContact O-C 3.4Å; N97-P103 WeakPolarHBondContact O-CA 3.44Å; N97-F104 HydrophobicContact CB-CD1 4.33Å; N97-F104 HydrophobicContact CB-CE1 3.73Å; N97-F104 HydrophobicContact CB-CE2 4.26Å; N97-F104 HydrophobicContact CB-CZ 3.68Å; N97-F104 PolarHBondContact N-O 2.78Å; N97-F104 PolarHBondContact O-N 2.91Å
98L90.5Very high90.1Very high80 Ų8055.1 Ų55.142%0.41926%0.26SS..  trans-100.8-3.3-178.4-59.9-179.4000113W37 H96 P103 K105W37-L98 HydrophobicContact CB-CD2 4.42Å; H96-L98 HydrophobicContact CB-CG 4.38Å; L98-P103 HydrophobicContact CD2-CB 4.42Å; L98-K105 HydrophobicContact CD2-CG 4.08Å
99H86.9Confident90.2Very high183 Ų18353.8 Ų53.885%0.84725%0.252SS*.SBendtrans-110-12.2-172.5-60-73.2000113.6N97N97-H99 PolarHBondContact OD1-N 2.95Å
100C87.3Confident90Very high39 Ų3953.8 Ų53.826%0.26425%0.252SS..SBendtrans-68.7168.9169570000112.8K42 N97 E102K42-C100 PolarHBondContact NZ-O 2.98Å; K42-C100 VanDerWaalsContact NZ-O 3.15Å; N97-C100 PolarHBondContact OD1-N 2.75Å; N97-C100 VanDerWaalsContact OD1-N 3.1Å; N97-C100 PolarHBondContact OD1-SG 3.43Å; C100-E102 PolarHBondContact O-N 2.84Å; C100-E102 PolarHBondContact SG-O 2.83Å
101E86.9Confident89.8Confident153 Ų15354.4 Ų54.472%0.71526%0.26SS*.SBendtrans-50.4-54.7174.8-177.7169.1-148.600111.5K42 P103K42-E101 PolarHBondContact NZ-O 2.84Å; E101-P103 WeakPolarHBondContact O-CD 3.49Å
102E90.4Very high89.5Confident81 Ų8158.6 Ų58.638%0.37928%0.277SS..SBendtrans-103.585174.8-72.4-50.7131.800112.3K38 C100K38-E102 WeakPolarHBondContact CD-OE1 3.35Å; K38-E102 WeakPolarHBondContact CD-OE2 3.49Å; K38-E102 VanDerWaalsContact CE-OE1 3.27Å; K38-E102 WeakPolarHBondContact CE-OE1 3.28Å; K38-E102 IonicContact NZ-OE1 3.54Å; K38-E102 PolarHBondContact NZ-OE1 3.41Å; K38-E102 IonicContact NZ-OE2 2.75Å; K38-E102 PolarHBondContact NZ-OE2 3.37Å; C100-E102 PolarHBondContact O-N 2.84Å; C100-E102 PolarHBondContact SG-O 2.83Å
103P93.7Very high89.3Confident7 Ų758.5 Ų58.55%0.04528%0.277CS..  trans-73.4140.9-173.231.4-38.2000112W37 K38 N97 L98 E101W37-P103 PolarHBondContact N-O 3.21Å; K38-P103 HydrophobicContact CB-CG 4.09Å; K38-P103 HydrophobicContact CG-CG 4.35Å; N97-P103 CarbonylContact O-C 3.4Å; N97-P103 WeakPolarHBondContact O-CA 3.44Å; L98-P103 HydrophobicContact CD2-CB 4.42Å; E101-P103 WeakPolarHBondContact O-CD 3.49Å
104F95Very high89.3Confident41 Ų4154 Ų5418%0.1826%0.257CS..EExtended strand (participates in β ladder)trans-138151.7-177.962.8-95.3000112.9R34 I35 R95 N97 V106R34-F104 HydrophobicContact CB-CB 4.25Å; R34-F104 HydrophobicContact CB-CD2 3.7Å; R34-F104 HydrophobicContact CB-CE2 4.4Å; R34-F104 HydrophobicContact CB-CG 4.19Å; R34-F104 HydrophobicContact CG-CD2 4.41Å; I35-F104 VanDerWaalsContact O-CA 3.31Å; I35-F104 WeakPolarHBondContact O-CA 3.35Å; I35-F104 WeakPolarHBondContact O-CB 3.42Å; R95-F104 WeakPolarHBondContact O-CE2 3.28Å; N97-F104 HydrophobicContact CB-CD1 4.33Å; N97-F104 HydrophobicContact CB-CE1 3.73Å; N97-F104 HydrophobicContact CB-CE2 4.26Å; N97-F104 HydrophobicContact CB-CZ 3.68Å; N97-F104 PolarHBondContact N-O 2.78Å; N97-F104 PolarHBondContact O-N 2.91Å; F104-V106 HydrophobicContact CD2-CG2 3.81Å; F104-V106 HydrophobicContact CE2-CG2 3.75Å
105K95.8Very high89.9Confident34 Ų3452.7 Ų52.715%0.14825%0.253CS..EExtended strand (participates in β ladder)trans-103.8145.2169.2-73.2-157.7151.4-159.90110.6R34 I35 W37 E91 H96 L98 Y107R34-K105 CarbonylContact C-O 3.48Å; R34-K105 WeakPolarHBondContact CA-O 3.26Å; I35-K105 PolarHBondContact N-O 3.17Å; I35-K105 PolarHBondContact O-N 2.82Å; W37-K105 HydrophobicContact CB-CG 3.93Å; W37-K105 HydrophobicContact CD2-CB 4.37Å; W37-K105 HydrophobicContact CD2-CD 3.71Å; W37-K105 HydrophobicContact CD2-CG 3.82Å; W37-K105 HydrophobicContact CE3-CB 4.27Å; W37-K105 HydrophobicContact CE3-CD 4.16Å; W37-K105 HydrophobicContact CE3-CG 4.21Å; W37-K105 HydrophobicContact CG-CB 4.49Å; W37-K105 HydrophobicContact CG-CD 3.94Å; W37-K105 HydrophobicContact CG-CG 3.67Å; W37-K105 HydrophobicContact CZ2-CD 4.23Å; E91-K105 WeakPolarHBondContact OE1-CD 3.44Å; E91-K105 IonicContact OE1-NZ 2.72Å; E91-K105 PolarHBondContact OE1-NZ 2.92Å; E91-K105 IonicContact OE2-NZ 2.62Å; H96-K105 WeakPolarHBondContact ND1-CG 3.19Å; L98-K105 HydrophobicContact CD2-CG 4.08Å; K105-Y107 HydrophobicContact CB-CD2 4.48Å; K105-Y107 HydrophobicContact CB-CE2 3.62Å; K105-Y107 WeakPolarHBondContact CD-OH 3.17Å
106V94.5Very high90Very high0 Ų050.7 Ų50.70%025%0.25CC..EExtended strand (participates in β ladder)trans-109.9139.3177.7179.80000110.6I26 I32 F33 R34 V92 R95 H96 F104I26-V106 HydrophobicContact CD1-CB 4.39Å; I26-V106 HydrophobicContact CD1-CG1 3.92Å; I26-V106 HydrophobicContact CD1-CG2 3.52Å; I32-V106 HydrophobicContact CG2-CG1 3.51Å; F33-V106 WeakPolarHBondContact O-CA 3.34Å; F33-V106 WeakPolarHBondContact O-CG1 3.43Å; R34-V106 HydrophobicContact CB-CG2 4.13Å; V92-V106 HydrophobicContact CB-CG1 4.21Å; V92-V106 PolarHBondContact N-O 3.41Å; R95-V106 HydrophobicContact CB-CB 3.78Å; R95-V106 HydrophobicContact CB-CG1 3.81Å; R95-V106 HydrophobicContact CB-CG2 3.83Å; R95-V106 WeakPolarHBondContact O-CG2 3.45Å; H96-V106 PolarHBondContact CD2-N 3.4Å; H96-V106 PolarHBondContact NE2-N 3Å; H96-V106 VanDerWaalsContact NE2-N 3.16Å; H96-V106 PolarHBondContact NE2-O 2.89Å; F104-V106 HydrophobicContact CD2-CG2 3.81Å; F104-V106 HydrophobicContact CE2-CG2 3.75Å
107Y95.6Very high89.9Confident2 Ų249 Ų491%0.00824%0.242CC..EExtended strand (participates in β ladder)trans-133.3159.4177.4-61.5-91.9000109I32 F33 I35 L83 I89 Q90 E91 K105I32-Y107 WeakPolarHBondContact CA-O 3.44Å; F33-Y107 HydrophobicContact CE2-CD2 4.18Å; F33-Y107 HydrophobicContact CE2-CG 4.22Å; F33-Y107 VanDerWaalsContact CZ-CB 3.47Å; F33-Y107 HydrophobicContact CZ-CG 4.35Å; F33-Y107 PolarHBondContact N-O 2.93Å; F33-Y107 PolarHBondContact O-N 2.62Å; I35-Y107 HydrophobicContact CB-CE2 4.31Å; I35-Y107 HydrophobicContact CD1-CD2 3.75Å; I35-Y107 HydrophobicContact CD1-CE2 3.72Å; I35-Y107 HydrophobicContact CG1-CD2 3.96Å; I35-Y107 HydrophobicContact CG1-CE2 4.1Å; L83-Y107 HydrophobicContact CB-CE1 4.27Å; L83-Y107 HydrophobicContact CD1-CE1 4.27Å; L83-Y107 HydrophobicContact CD1-CE2 4.26Å; L83-Y107 HydrophobicContact CD2-CD1 4.38Å; L83-Y107 HydrophobicContact CD2-CE1 4.42Å; I89-Y107 HydrophobicContact CG2-CD1 4.07Å; I89-Y107 HydrophobicContact CG2-CG 4.39Å; Q90-Y107 CarbonylContact O-C 3.49Å; Q90-Y107 WeakPolarHBondContact O-CA 3.08Å; E91-Y107 VanDerWaalsContact CA-CD1 3.49Å; E91-Y107 HydrophobicContact CB-CD1 3.81Å; E91-Y107 HydrophobicContact CB-CE1 3.56Å; E91-Y107 HydrophobicContact CG-CD1 4.14Å; E91-Y107 HydrophobicContact CG-CE1 3.59Å; E91-Y107 PolarHBondContact OE1-OH 3.08Å; K105-Y107 HydrophobicContact CB-CD2 4.48Å; K105-Y107 HydrophobicContact CB-CE2 3.62Å; K105-Y107 WeakPolarHBondContact CD-OH 3.17Å
108R94.1Very high89.8Confident43 Ų4348.6 Ų48.616%0.16224%0.235CC..EExtended strand (participates in β ladder)trans-120.8147.1163.671.7169.1178.9109.72.3111.1G31 I32 I89 Q90 V92 E114G31-R108 CarbonylContact O-C 3.47Å; G31-R108 WeakPolarHBondContact O-CA 3.39Å; I32-R108 HydrophobicContact CG1-CB 4.05Å; I89-R108 CarbonylContact C-O 3.51Å; I89-R108 WeakPolarHBondContact CA-O 3.33Å; Q90-R108 HydrophobicContact CB-CG 4.04Å; Q90-R108 PolarHBondContact N-O 2.89Å; Q90-R108 PolarHBondContact O-N 2.81Å; Q90-R108 VanDerWaalsContact OE1-CZ 3.26Å; V92-R108 HydrophobicContact CG2-CB 4.12Å; V92-R108 HydrophobicContact CG2-CG 4.01Å; R108-E114 IonicContact CZ-OE1 3.75Å; R108-E114 IonicContact CZ-OE2 3.24Å; R108-E114 IonicContact NH1-OE1 3.41Å; R108-E114 IonicContact NH1-OE2 2.7Å; R108-E114 PolarHBondContact NH1-OE2 3.24Å; R108-E114 VanDerWaalsContact NH2-CD 3.29Å; R108-E114 IonicContact NH2-OE1 3.53Å; R108-E114 PolarHBondContact NH2-OE1 2.76Å; R108-E114 IonicContact NH2-OE2 3.79Å; R108-E114 PolarHBondContact NH2-OE2 3.12Å; R108-E114 VanDerWaalsContact NH2-OE2 3.15Å
109F94.2Very high89.6Confident12 Ų1247.5 Ų47.55%0.05324%0.238CC..EExtended strand (participates in β ladder)trans-73.7145.5159.7-69.3-56.9000110.4R8 L11 E12 L15 W25 G31 F33 I89R8-F109 HydrophobicContact CB-CD1 4.44Å; R8-F109 HydrophobicContact CB-CE1 4.06Å; R8-F109 HydrophobicContact CG-CD1 3.77Å; R8-F109 HydrophobicContact CG-CE1 3.64Å; R8-F109 HydrophobicContact CG-CZ 4.47Å; L11-F109 HydrophobicContact CB-CZ 4.19Å; L11-F109 HydrophobicContact CD2-CE1 4.37Å; L11-F109 HydrophobicContact CD2-CZ 4.13Å; L11-F109 HydrophobicContact CG-CZ 4.05Å; E12-F109 HydrophobicContact CG-CD2 4.07Å; E12-F109 HydrophobicContact CG-CE1 4.12Å; E12-F109 HydrophobicContact CG-CE2 3.49Å; E12-F109 VanDerWaalsContact CG-CE2 3.49Å; E12-F109 HydrophobicContact CG-CZ 3.53Å; L15-F109 HydrophobicContact CD1-CE2 3.76Å; L15-F109 HydrophobicContact CD1-CZ 4.07Å; W25-F109 AromaticContact CH2-CD2 3.77Å; W25-F109 HydrophobicContact CH2-CD2 3.77Å; W25-F109 AromaticContact CH2-CE2 3.58Å; W25-F109 HydrophobicContact CH2-CE2 3.58Å; W25-F109 AromaticContact CZ3-CD2 3.82Å; W25-F109 HydrophobicContact CZ3-CD2 3.82Å; W25-F109 AromaticContact CZ3-CE2 3.86Å; W25-F109 HydrophobicContact CZ3-CE2 3.86Å; G31-F109 PolarHBondContact O-N 3.31Å; F33-F109 AromaticContact CD1-CD2 3.78Å; F33-F109 HydrophobicContact CD1-CD2 3.78Å; F33-F109 AromaticContact CD1-CE2 3.53Å; F33-F109 HydrophobicContact CD1-CE2 3.53Å; F33-F109 HydrophobicContact CD1-CZ 4.08Å; F33-F109 AromaticContact CE1-CD1 3.98Å; F33-F109 HydrophobicContact CE1-CD1 3.98Å; F33-F109 AromaticContact CE1-CD2 3.5Å; F33-F109 HydrophobicContact CE1-CD2 3.5Å; F33-F109 AromaticContact CE1-CE1 3.75Å; F33-F109 HydrophobicContact CE1-CE1 3.75Å; F33-F109 AromaticContact CE1-CE2 3.26Å; F33-F109 HydrophobicContact CE1-CE2 3.26Å; F33-F109 AromaticContact CE1-CG 3.85Å; F33-F109 HydrophobicContact CE1-CG 3.85Å; F33-F109 AromaticContact CE1-CZ 3.39Å; F33-F109 HydrophobicContact CE1-CZ 3.39Å; F33-F109 AromaticContact CZ-CE1 3.99Å; F33-F109 HydrophobicContact CZ-CE1 3.99Å; F33-F109 HydrophobicContact CZ-CE2 4.05Å; F33-F109 AromaticContact CZ-CZ 3.73Å; F33-F109 HydrophobicContact CZ-CZ 3.73Å; I89-F109 HydrophobicContact CD1-CD1 4.47Å; I89-F109 HydrophobicContact CD1-CE1 3.96Å; I89-F109 HydrophobicContact CG1-CD1 3.95Å; I89-F109 HydrophobicContact CG1-CE1 3.95Å
110V90Very high89.7Confident4 Ų442.4 Ų42.42%0.02422%0.217CC..  trans-109152.3-170.1160.70000110R8 D88 Q90 E114R8-V110 PolarHBondContact NH1-O 2.7Å; D88-V110 PolarHBondContact O-N 2.81Å; Q90-V110 HydrophobicContact CB-CG2 4.04Å; V110-E114 HydrophobicContact CG1-CB 3.66Å; V110-E114 HydrophobicContact CG1-CG 3.83Å
111S86.4Confident89.8Confident42 Ų4241.5 Ų41.529%0.29421%0.212SC..  trans-66.1155.4179.488.30000111.2T113 E114 S115 E286S111-T113 VanDerWaalsContact C-N 3.28Å; S111-T113 PolarHBondContact O-N 2.74Å; S111-E114 PolarHBondContact O-N 3.25Å; S111-E114 WeakPolarHBondContact OG-CB 3.4Å; S111-E114 PolarHBondContact OG-N 2.74Å; S111-S115 WeakPolarHBondContact O-CB 3.46Å; S111-S115 PolarHBondContact O-N 2.75Å; S111-E286 WeakPolarHBondContact CB-OE1 3.16Å; S111-E286 PolarHBondContact OG-OE1 2.99Å
112K85.2Confident90Very high143 Ų14339.9 Ų39.962%0.62221%0.207SC*.Hα-helixtrans-57.4-45.9177.2-174.5-173.9169.6-158.30110.4S115 L116 M283K112-S115 PolarHBondContact O-N 3.47Å; K112-S115 PolarHBondContact O-OG 3.08Å; K112-L116 WeakPolarHBondContact O-CG 3.31Å; K112-L116 PolarHBondContact O-N 2.98Å; K112-L116 VanDerWaalsContact O-N 3.12Å; K112-M283 HydrophobicContact CB-SD 4.13Å; K112-M283 HydrophobicContact CD-SD 3.66Å; K112-M283 HydrophobicContact CG-SD 3.85Å
113T83.7Confident90.1Very high19 Ų1941.4 Ų41.412%0.11721%0.209CC..Hα-helixtrans-51-60.9171.9-57.20000111.5S111 S115 L116 W117 M283 E284 E286S111-T113 VanDerWaalsContact C-N 3.28Å; S111-T113 PolarHBondContact O-N 2.74Å; T113-S115 VanDerWaalsContact C-N 3.26Å; T113-S115 PolarHBondContact O-N 2.95Å; T113-L116 WeakPolarHBondContact O-CB 3.3Å; T113-L116 PolarHBondContact O-N 2.72Å; T113-W117 VanDerWaalsContact O-CD1 3.3Å; T113-W117 PolarHBondContact O-N 2.9Å; T113-W117 VanDerWaalsContact O-N 3.14Å; T113-M283 HydrophobicContact CG2-CB 3.97Å; T113-M283 WeakPolarHBondContact OG1-CB 3.36Å; T113-E284 VanDerWaalsContact CG2-O 3.31Å; T113-E284 WeakPolarHBondContact CG2-O 3.26Å; T113-E286 HydrophobicContact CG2-CG 4.49Å
114E86.2Confident90Very high2 Ų241.6 Ų41.61%0.00921%0.21CC..Hα-helixtrans-60.4-36.1-177-166.9-155.1145.400111.4R108 V110 S111 L116 W117 R118 T307R108-E114 IonicContact CZ-OE1 3.75Å; R108-E114 IonicContact CZ-OE2 3.24Å; R108-E114 IonicContact NH1-OE1 3.41Å; R108-E114 IonicContact NH1-OE2 2.7Å; R108-E114 PolarHBondContact NH1-OE2 3.24Å; R108-E114 VanDerWaalsContact NH2-CD 3.29Å; R108-E114 IonicContact NH2-OE1 3.53Å; R108-E114 PolarHBondContact NH2-OE1 2.76Å; R108-E114 IonicContact NH2-OE2 3.79Å; R108-E114 PolarHBondContact NH2-OE2 3.12Å; R108-E114 VanDerWaalsContact NH2-OE2 3.15Å; V110-E114 HydrophobicContact CG1-CB 3.66Å; V110-E114 HydrophobicContact CG1-CG 3.83Å; S111-E114 PolarHBondContact O-N 3.25Å; S111-E114 WeakPolarHBondContact OG-CB 3.4Å; S111-E114 PolarHBondContact OG-N 2.74Å; E114-L116 PolarHBondContact O-N 2.65Å; E114-W117 PolarHBondContact O-N 3.46Å; E114-R118 WeakPolarHBondContact O-CB 3.25Å; E114-R118 WeakPolarHBondContact O-CD 3.42Å; E114-R118 WeakPolarHBondContact O-CG 3.4Å; E114-R118 PolarHBondContact O-N 3.38Å; E114-R118 WeakPolarHBondContact OE1-CD 3.27Å; E114-R118 IonicContact OE1-NE 3.69Å; E114-R118 IonicContact OE1-NH1 3.96Å; E114-T307 HydrophobicContact CG-CG2 3.69Å; E114-T307 WeakPolarHBondContact OE1-CB 3.08Å
115S87.2Confident90Very high19 Ų1939.6 Ų39.613%0.13320%0.201CC..Hα-helixtrans-64.9-36.3175.981.30000113.2S111 K112 T113 R118 A119S111-S115 WeakPolarHBondContact O-CB 3.46Å; S111-S115 PolarHBondContact O-N 2.75Å; K112-S115 PolarHBondContact O-N 3.47Å; K112-S115 PolarHBondContact O-OG 3.08Å; T113-S115 VanDerWaalsContact C-N 3.26Å; T113-S115 PolarHBondContact O-N 2.95Å; S115-R118 PolarHBondContact O-N 2.88Å; S115-A119 WeakPolarHBondContact O-CB 3.16Å; S115-A119 PolarHBondContact O-N 3.46Å
116L86.6Confident89.8Confident58 Ų5839.5 Ų39.530%0.30420%0.204SC..Hα-helixtrans-69.6-40.7176.7-70.7168.7000111.1K112 T113 E114 N124 M283K112-L116 WeakPolarHBondContact O-CG 3.31Å; K112-L116 PolarHBondContact O-N 2.98Å; K112-L116 VanDerWaalsContact O-N 3.12Å; T113-L116 WeakPolarHBondContact O-CB 3.3Å; T113-L116 PolarHBondContact O-N 2.72Å; E114-L116 PolarHBondContact O-N 2.65Å; L116-N124 PolarHBondContact O-ND2 2.95Å; L116-M283 HydrophobicContact CD1-CG 4.07Å; L116-M283 HydrophobicContact CD1-SD 4.24Å
117W86.9Confident89.7Confident1 Ų140.7 Ų40.70%0.00421%0.21CC..Hα-helixtrans-64.7-40.6174.9-80.4100.5000112.1T113 E114 A121 N124 I128 I282 M283 P285 I305 T307 C453 W456T113-W117 VanDerWaalsContact O-CD1 3.3Å; T113-W117 PolarHBondContact O-N 2.9Å; T113-W117 VanDerWaalsContact O-N 3.14Å; E114-W117 PolarHBondContact O-N 3.46Å; W117-A121 WeakPolarHBondContact O-CA 3.46Å; W117-A121 PolarHBondContact O-N 2.86Å; W117-N124 WeakPolarHBondContact CA-ND2 3.37Å; W117-N124 HydrophobicContact CE3-CB 3.99Å; W117-N124 HydrophobicContact CZ3-CB 4.04Å; W117-N124 PolarHBondContact O-ND2 3.35Å; W117-I128 HydrophobicContact CH2-CD1 4.37Å; W117-I128 HydrophobicContact CZ3-CD1 3.99Å; W117-I282 HydrophobicContact CD2-CG2 4.38Å; W117-I282 VanDerWaalsContact CE2-CG2 3.41Å; W117-I282 HydrophobicContact CH2-CG2 4.15Å; W117-I282 HydrophobicContact CZ2-CG2 3.28Å; W117-M283 PolarHBondContact NE1-O 2.76Å; W117-M283 VanDerWaalsContact NE1-O 3.11Å; W117-P285 HydrophobicContact CH2-CG 4.47Å; W117-P285 HydrophobicContact CZ2-CB 3.8Å; W117-P285 HydrophobicContact CZ2-CG 3.66Å; W117-I305 HydrophobicContact CB-CG2 4.36Å; W117-I305 HydrophobicContact CE3-CD1 3.94Å; W117-I305 HydrophobicContact CE3-CG1 4.04Å; W117-I305 HydrophobicContact CE3-CG2 4.15Å; W117-I305 HydrophobicContact CZ3-CD1 3.93Å; W117-I305 HydrophobicContact CZ3-CG1 4.49Å; W117-T307 HydrophobicContact CB-CG2 4.49Å; W117-C453 HydrophobicContact CH2-CB 4.17Å; W117-C453 HydrophobicContact CZ3-CB 4.33Å; W117-W456 HydrophobicContact CH2-CE3 4.35Å; W117-W456 HydrophobicContact CH2-CZ3 4.36Å
118R88.4Confident89.6Confident58 Ų5840.7 Ų40.722%0.21921%0.211CC..Hα-helixtrans-70.7-45.1175.8-71.8161.870.585.61.1113.4P87 I89 E114 S115 N120 A121 T307P87-R118 HydrophobicContact CB-CB 4.31Å; P87-R118 PolarHBondContact O-NE 2.9Å; P87-R118 VanDerWaalsContact O-NE 3.17Å; I89-R118 PolarHBondContact O-NH2 2.96Å; E114-R118 WeakPolarHBondContact O-CB 3.25Å; E114-R118 WeakPolarHBondContact O-CD 3.42Å; E114-R118 WeakPolarHBondContact O-CG 3.4Å; E114-R118 PolarHBondContact O-N 3.38Å; E114-R118 WeakPolarHBondContact OE1-CD 3.27Å; E114-R118 IonicContact OE1-NE 3.69Å; E114-R118 IonicContact OE1-NH1 3.96Å; S115-R118 PolarHBondContact O-N 2.88Å; R118-N120 PolarHBondContact O-N 3.33Å; R118-N120 VanDerWaalsContact O-N 3.1Å; R118-A121 WeakPolarHBondContact O-CB 3.21Å; R118-A121 PolarHBondContact O-N 2.97Å; R118-A121 VanDerWaalsContact O-N 3.11Å; R118-T307 WeakPolarHBondContact CD-OG1 3.41Å; R118-T307 HydrophobicContact CG-CG2 3.75Å; R118-T307 VanDerWaalsContact CG-OG1 3.31Å; R118-T307 WeakPolarHBondContact CG-OG1 3.48Å; R118-T307 PolarHBondContact NH1-OG1 2.89Å
119A87.4Confident89.5Confident56 Ų5639.1 Ų39.146%0.46321%0.205SC..Hα-helixtrans-58.1-28.5-175.700000113.8P87 S115P87-A119 HydrophobicContact CB-CB 3.71Å; P87-A119 HydrophobicContact CG-CB 3.86Å; S115-A119 WeakPolarHBondContact O-CB 3.16Å; S115-A119 PolarHBondContact O-N 3.46Å
120N87.5Confident89.4Confident77 Ų7741.3 Ų41.341%0.41222%0.217SC..THydrogen-bonded Turntrans-120.423179.3-66.7-83000112.4R118 I122 R123 N124R118-N120 PolarHBondContact O-N 3.33Å; R118-N120 VanDerWaalsContact O-N 3.1Å; N120-I122 VanDerWaalsContact C-N 3.35Å; N120-I122 PolarHBondContact O-N 3.11Å; N120-I122 VanDerWaalsContact O-N 3.09Å; N120-R123 HydrophobicContact CB-CB 4.45Å; N120-R123 WeakPolarHBondContact O-CA 3.43Å; N120-R123 WeakPolarHBondContact O-CB 3.22Å; N120-R123 PolarHBondContact O-N 2.93Å; N120-N124 WeakPolarHBondContact CB-OD1 3.3Å; N120-N124 PolarHBondContact O-N 2.92Å
121A90.6Very high89.1Confident19 Ų1942 Ų4216%0.15723%0.225CC..Hα-helixtrans-44.2-50.2-168.300000114.9W117 R118 N124 A125 I305W117-A121 WeakPolarHBondContact O-CA 3.46Å; W117-A121 PolarHBondContact O-N 2.86Å; R118-A121 WeakPolarHBondContact O-CB 3.21Å; R118-A121 PolarHBondContact O-N 2.97Å; R118-A121 VanDerWaalsContact O-N 3.11Å; A121-N124 PolarHBondContact O-N 3.27Å; A121-A125 WeakPolarHBondContact O-CB 3.25Å; A121-A125 PolarHBondContact O-N 2.84Å; A121-I305 HydrophobicContact CB-CB 4.18Å; A121-I305 HydrophobicContact CB-CG1 4.37Å; A121-I305 WeakPolarHBondContact O-CG1 3.17Å
122I91.2Very high88.4Confident120 Ų12041.4 Ų41.462%0.61522%0.218SC*.Hα-helixtrans-57.4-54.5177.1-56.7175.2000110.6N120 N124 A125 S126 D303N120-I122 VanDerWaalsContact C-N 3.35Å; N120-I122 PolarHBondContact O-N 3.11Å; N120-I122 VanDerWaalsContact O-N 3.09Å; I122-N124 VanDerWaalsContact C-N 3.33Å; I122-N124 PolarHBondContact O-N 2.89Å; I122-A125 PolarHBondContact O-N 2.99Å; I122-S126 PolarHBondContact O-N 3.31Å; I122-S126 PolarHBondContact O-OG 3.32Å; I122-D303 HydrophobicContact CG2-CB 4.08Å
123R91.4Very high86.9Confident112 Ų11241.1 Ų41.142%0.42322%0.219SC..Hα-helixtrans-61.9-39.1-179.3-178.9-177.1-176.2-173.80.9112.5N120 S126 M127 F138N120-R123 HydrophobicContact CB-CB 4.45Å; N120-R123 WeakPolarHBondContact O-CA 3.43Å; N120-R123 WeakPolarHBondContact O-CB 3.22Å; N120-R123 PolarHBondContact O-N 2.93Å; R123-S126 PolarHBondContact O-N 2.9Å; R123-M127 WeakPolarHBondContact O-CB 3.32Å; R123-M127 PolarHBondContact O-N 2.91Å; R123-F138 VanDerWaalsContact CZ-CZ 3.47Å; R123-F138 VanDerWaalsContact NH1-CZ 3.26Å; R123-F138 VanDerWaalsContact NH2-CE2 3.32Å
124N92.2Very high85.1Confident11 Ų1144.4 Ų44.46%0.05925%0.248CC..Hα-helixtrans-66.9-42.1-179.5-68.9-16.1000110.6L116 W117 N120 A121 I122 M127 I128 I305L116-N124 PolarHBondContact O-ND2 2.95Å; W117-N124 WeakPolarHBondContact CA-ND2 3.37Å; W117-N124 HydrophobicContact CE3-CB 3.99Å; W117-N124 HydrophobicContact CZ3-CB 4.04Å; W117-N124 PolarHBondContact O-ND2 3.35Å; N120-N124 WeakPolarHBondContact CB-OD1 3.3Å; N120-N124 PolarHBondContact O-N 2.92Å; A121-N124 PolarHBondContact O-N 3.27Å; I122-N124 VanDerWaalsContact C-N 3.33Å; I122-N124 PolarHBondContact O-N 2.89Å; N124-M127 PolarHBondContact O-N 3.07Å; N124-I128 WeakPolarHBondContact O-CG1 3.34Å; N124-I128 PolarHBondContact O-N 3.38Å; N124-I128 VanDerWaalsContact O-N 3.08Å; N124-I305 HydrophobicContact CB-CD1 3.97Å; N124-I305 HydrophobicContact CB-CG1 3.7Å
125A94.1Very high82.9Confident0 Ų047.6 Ų47.60%028%0.282CS..Hα-helixtrans-65-45.1172.600000111.4A121 I122 M127 I128 F129 D303 T304 I305A121-A125 WeakPolarHBondContact O-CB 3.25Å; A121-A125 PolarHBondContact O-N 2.84Å; I122-A125 PolarHBondContact O-N 2.99Å; A125-M127 VanDerWaalsContact C-N 3.3Å; A125-M127 PolarHBondContact O-N 3.08Å; A125-I128 PolarHBondContact O-N 3.44Å; A125-I128 VanDerWaalsContact O-N 3.1Å; A125-F129 HydrophobicContact CB-CD2 4.41Å; A125-F129 HydrophobicContact CB-CE2 4.29Å; A125-F129 WeakPolarHBondContact O-CD2 3.48Å; A125-F129 PolarHBondContact O-N 3.47Å; A125-D303 HydrophobicContact CB-CB 4.03Å; A125-T304 WeakPolarHBondContact CB-O 3.35Å; A125-I305 HydrophobicContact CB-CD1 4.04Å; A125-I305 HydrophobicContact CB-CG1 4.43Å
126S93Very high80.4Confident31 Ų3149.7 Ų49.722%0.21730%0.296CS..Hα-helixtrans-57.3-43174.5-49.10000112.1I122 R123 I128 F129 D130 D303I122-S126 PolarHBondContact O-N 3.31Å; I122-S126 PolarHBondContact O-OG 3.32Å; R123-S126 PolarHBondContact O-N 2.9Å; S126-I128 VanDerWaalsContact C-N 3.33Å; S126-I128 PolarHBondContact O-N 3.37Å; S126-F129 PolarHBondContact O-N 3.34Å; S126-D130 WeakPolarHBondContact O-CA 3.41Å; S126-D130 WeakPolarHBondContact O-CB 3.48Å; S126-D130 VanDerWaalsContact O-CG 3.31Å; S126-D130 PolarHBondContact O-N 2.95Å; S126-D303 VanDerWaalsContact CA-OD2 3.3Å; S126-D303 WeakPolarHBondContact CA-OD2 3.4Å; S126-D303 WeakPolarHBondContact CB-OD2 3.3Å; S126-D303 PolarHBondContact N-OD2 3.32Å; S126-D303 PolarHBondContact OG-OD2 3.19Å
127M91.7Very high77.7Confident25 Ų2558.2 Ų58.212%0.12332%0.324CS..Hα-helixtrans-64.9-31.6177-177.6-172.864.300113.5R123 N124 A125 G131 I132 P280 I282 W456R123-M127 WeakPolarHBondContact O-CB 3.32Å; R123-M127 PolarHBondContact O-N 2.91Å; N124-M127 PolarHBondContact O-N 3.07Å; A125-M127 VanDerWaalsContact C-N 3.3Å; A125-M127 PolarHBondContact O-N 3.08Å; M127-G131 CarbonylContact O-C 3.57Å; M127-G131 VanDerWaalsContact O-CA 3.29Å; M127-G131 WeakPolarHBondContact O-CA 3.38Å; M127-G131 PolarHBondContact O-N 3.02Å; M127-I132 HydrophobicContact CG-CG1 4.17Å; M127-P280 HydrophobicContact SD-CG 3.95Å; M127-I282 HydrophobicContact CE-CD1 3.68Å; M127-W456 HydrophobicContact CE-CH2 3.37Å; M127-W456 HydrophobicContact CE-CZ2 3.93Å; M127-W456 HydrophobicContact CE-CZ3 3.95Å; M127-W456 HydrophobicContact CG-CH2 4.45Å; M127-W456 HydrophobicContact CG-CZ2 4.16Å; M127-W456 HydrophobicContact SD-CH2 4.09Å; M127-W456 HydrophobicContact SD-CZ2 4.38Å
128I92.8Very high75.2Confident3 Ų364.3 Ų64.32%0.01535%0.351CS..Hα-helixtrans-67.2-49.6172.9-71.5168.8000110.2W117 N124 A125 S126 I305 F425 A451 C453 W456W117-I128 HydrophobicContact CH2-CD1 4.37Å; W117-I128 HydrophobicContact CZ3-CD1 3.99Å; N124-I128 WeakPolarHBondContact O-CG1 3.34Å; N124-I128 PolarHBondContact O-N 3.38Å; N124-I128 VanDerWaalsContact O-N 3.08Å; A125-I128 PolarHBondContact O-N 3.44Å; A125-I128 VanDerWaalsContact O-N 3.1Å; S126-I128 VanDerWaalsContact C-N 3.33Å; S126-I128 PolarHBondContact O-N 3.37Å; I128-I305 HydrophobicContact CD1-CD1 3.85Å; I128-F425 HydrophobicContact CG2-CD2 4.31Å; I128-F425 HydrophobicContact CG2-CE2 3.83Å; I128-A451 HydrophobicContact CG2-CB 3.59Å; I128-C453 HydrophobicContact CD1-CB 4.5Å; I128-W456 HydrophobicContact CB-CG 4.45Å; I128-W456 HydrophobicContact CG1-CB 4.47Å; I128-W456 HydrophobicContact CG1-CD2 3.85Å; I128-W456 HydrophobicContact CG1-CE3 4.3Å; I128-W456 HydrophobicContact CG1-CG 3.89Å; I128-W456 HydrophobicContact CG2-CG 4.22Å
129F93.3Very high72.5Confident10 Ų1067 Ų674%0.04437%0.374CS..Hα-helixtrans-86.8-24-169.9-64.1-58.4000115.3A125 S126 R293 E426 R449 A451A125-F129 HydrophobicContact CB-CD2 4.41Å; A125-F129 HydrophobicContact CB-CE2 4.29Å; A125-F129 WeakPolarHBondContact O-CD2 3.48Å; A125-F129 PolarHBondContact O-N 3.47Å; S126-F129 PolarHBondContact O-N 3.34Å; F129-R293 VanDerWaalsContact CB-CZ 3.46Å; F129-R293 HydrophobicContact CD2-CB 3.5Å; F129-R293 HydrophobicContact CE2-CB 3.44Å; F129-R293 VanDerWaalsContact CE2-CB 3.44Å; F129-R293 HydrophobicContact CG-CB 4.19Å; F129-R293 HydrophobicContact CZ-CB 4.07Å; F129-E426 WeakPolarHBondContact CD1-OE2 3.39Å; F129-R449 HydrophobicContact CD1-CB 3.8Å; F129-R449 HydrophobicContact CE1-CB 3.47Å; F129-R449 VanDerWaalsContact CE1-CB 3.47Å; F129-R449 HydrophobicContact CZ-CB 4.04Å; F129-R449 VanDerWaalsContact CZ-O 3.28Å; F129-R449 WeakPolarHBondContact CZ-O 3.46Å; F129-R449 PolarHBondContact O-NH1 3.37Å; F129-R449 PolarHBondContact O-NH2 2.95Å; F129-A451 HydrophobicContact CE1-CB 3.63Å; F129-A451 HydrophobicContact CZ-CB 3.92Å
130D91.5Very high69.7Low58 Ų5868.7 Ų68.731%0.3138%0.382SS..Hα-helixtrans-105.8-5.1178.2-54-44.8000113.1S126 R293 R300S126-D130 WeakPolarHBondContact O-CA 3.41Å; S126-D130 WeakPolarHBondContact O-CB 3.48Å; S126-D130 VanDerWaalsContact O-CG 3.31Å; S126-D130 PolarHBondContact O-N 2.95Å; D130-R293 VanDerWaalsContact CG-NH2 3.32Å; D130-R293 IonicContact OD1-CZ 2.82Å; D130-R293 IonicContact OD1-NH1 3.33Å; D130-R293 PolarHBondContact OD1-NH1 3.42Å; D130-R293 IonicContact OD1-NH2 2.67Å; D130-R293 PolarHBondContact OD1-NH2 3.03Å; D130-R293 IonicContact OD2-CZ 2.8Å; D130-R293 IonicContact OD2-NH1 3.24Å; D130-R293 IonicContact OD2-NH2 2.68Å; D130-R293 PolarHBondContact OD2-NH2 3.44Å; D130-R300 VanDerWaalsContact CG-NH1 3.3Å; D130-R300 IonicContact OD1-CZ 3.09Å; D130-R300 VanDerWaalsContact OD1-CZ 3.24Å; D130-R300 IonicContact OD1-NH1 3.39Å; D130-R300 PolarHBondContact OD1-NH1 3.23Å; D130-R300 VanDerWaalsContact OD1-NH1 3.08Å; D130-R300 IonicContact OD1-NH2 2.73Å; D130-R300 PolarHBondContact OD1-NH2 2.96Å; D130-R300 IonicContact OD2-CZ 2.92Å; D130-R300 IonicContact OD2-NH1 2.96Å; D130-R300 PolarHBondContact OD2-NH1 3.06Å; D130-R300 IonicContact OD2-NH2 3.29Å
131G84.1Confident66.9Low18 Ų1877.1 Ų77.119%0.18641%0.408CS..  trans77.9176.9-176.900000115.1M127 Q133M127-G131 CarbonylContact O-C 3.57Å; M127-G131 VanDerWaalsContact O-CA 3.29Å; M127-G131 WeakPolarHBondContact O-CA 3.38Å; M127-G131 PolarHBondContact O-N 3.02Å; G131-Q133 PolarHBondContact O-N 3.34Å
132I72.1Confident64.2Low29 Ų2980.3 Ų80.315%0.14943%0.43CS..  trans-85.897.8-179.9-54.4178.4000109.1M127 A134 W456M127-I132 HydrophobicContact CG-CG1 4.17Å; I132-A134 PolarHBondContact O-N 3.05Å; I132-W456 HydrophobicContact CD1-CH2 4.21Å; I132-W456 HydrophobicContact CD1-CZ2 3.96Å; I132-W456 HydrophobicContact CG1-CZ2 3.95Å
133Q54Low61.3Low137 Ų13778.7 Ų78.764%0.6444%0.443SS*.  trans-59.1110.2174.9-69.6-173.5-3.900111.5G131 G135 C136G131-Q133 PolarHBondContact O-N 3.34Å; Q133-G135 PolarHBondContact O-N 3.49Å; Q133-C136 WeakPolarHBondContact O-CB 3.4Å; Q133-C136 PolarHBondContact O-N 2.86Å
134A46Very low58.4Low89 Ų8981.3 Ų81.374%0.73646%0.461SS*.THydrogen-bonded Turntrans-57.1-19.4179.900000114.3I132 C136I132-A134 PolarHBondContact O-N 3.05Å; A134-C136 VanDerWaalsContact C-N 3.35Å
135G39.6Very low55.6Low69 Ų6988.1 Ų88.171%0.71150%0.498SS*.THydrogen-bonded Turntrans-79.6-2.6174.900000116Q133 R137Q133-G135 PolarHBondContact O-N 3.49Å; G135-R137 PolarHBondContact O-N 3.31Å
136C35Very low52.9Low63 Ų6394 Ų9443%0.42654%0.539SS..  trans-70.769.4-177.9-85.50000113.9Q133 A134 F138Q133-C136 WeakPolarHBondContact O-CB 3.4Å; Q133-C136 PolarHBondContact O-N 2.86Å; A134-C136 VanDerWaalsContact C-N 3.35Å; C136-F138 VanDerWaalsContact C-N 3.33Å; C136-F138 PolarHBondContact O-N 3.4Å
137R29Very low50Low236 Ų23697.3 Ų97.389%0.89157%0.568SS**  trans-65.490.4164.3-66.9-172.8-175.6-176.53.1109.7G135 T139G135-R137 PolarHBondContact O-N 3.31Å; R137-T139 PolarHBondContact O-N 3.2Å; R137-T139 VanDerWaalsContact O-N 3.13Å
138F34.5Very low47.5Very low130 Ų130101.8 Ų101.857%0.5760%0.602SS**  trans-57.1116.1161.3-80.8-101.2000108.2R123 C136 S140R123-F138 VanDerWaalsContact CZ-CZ 3.47Å; R123-F138 VanDerWaalsContact NH1-CZ 3.26Å; R123-F138 VanDerWaalsContact NH2-CE2 3.32Å; C136-F138 VanDerWaalsContact C-N 3.33Å; C136-F138 PolarHBondContact O-N 3.4Å; F138-S140 VanDerWaalsContact C-N 3.32Å; F138-S140 PolarHBondContact O-N 3.34Å
139T31.3Very low44.8Very low115 Ų115107 Ų10771%0.70664%0.639SS**  trans-75.685.3-179.955.50000110.6R137 W141R137-T139 PolarHBondContact O-N 3.2Å; R137-T139 VanDerWaalsContact O-N 3.13Å; T139-W141 PolarHBondContact O-N 3.12Å
140S29.3Very low42.5Very low91 Ų91111.6 Ų111.664%0.63667%0.67SS**  trans-49.9127.3143.5173.50000107.8F138 S142F138-S140 VanDerWaalsContact C-N 3.32Å; F138-S140 PolarHBondContact O-N 3.34Å; S140-S142 VanDerWaalsContact C-N 3.25Å; S140-S142 PolarHBondContact O-N 3.01Å; S140-S142 PolarHBondContact O-OG 2.82Å; S140-S142 PolarHBondContact OG-OG 2.89Å
141W27.7Very low40Very low253 Ų253115.9 Ų115.996%0.95870%0.697SS**SBendtrans-76.780.3175.6-82.99.4000109.6T139T139-W141 PolarHBondContact O-N 3.12Å
142S34.1Very low37.6Very low87 Ų87122.2 Ų122.261%0.60873%0.727SS**  trans-150.1107.2-174.9510000111.3S140S140-S142 VanDerWaalsContact C-N 3.25Å; S140-S142 PolarHBondContact O-N 3.01Å; S140-S142 PolarHBondContact O-OG 2.82Å; S140-S142 PolarHBondContact OG-OG 2.89Å
143G31.2Very low36Very low86 Ų86125.9 Ų125.989%0.88776%0.755SS**  trans92138.8170.900000115.5
144M31Very low35Very low166 Ų166125.6 Ų125.682%0.81877%0.765SS**  trans-106.9168.4171-69.6164.555.200110.1
145N32.1Very low34.9Very low155 Ų155128.2 Ų128.283%0.82977%0.766SS**  trans76.2146.7174.5-40.2-38.9000113.8
146S38.4Very low34.7Very low124 Ų124131 Ų13187%0.86777%0.771SS**  cis-130.8-179.84.854.80000111.8
147A32.6Very low34.7Very low99 Ų99135.7 Ų135.782%0.81879%0.791SS**  trans-108.1143.3-162.900000115.4
148S38.6Very low35.2Very low120 Ų120129.7 Ų129.784%0.83979%0.785SS**  trans-154.1153.7154.859.90000110.5
149S36.2Very low35.3Very low112 Ų112135 Ų13578%0.78380%0.801SS**  trans-161174.4-169.1-63.70000109.1
150P44.5Very low35.6Very low107 Ų107139.7 Ų139.770%0.69581%0.806SS**  -135.8171.5-5039.1-24.6000112.8
151V38.5Very low35.9Very low147 Ų147140.9 Ų140.989%0.89181%0.812SS**  trans-140.1148.5153.4-175.20000108.6
152N34.4Very low36.2Very low151 Ų151135 Ų13581%0.80780%0.804SS**  trans-105.9142.7-172.6-65.3-47.4000113.6
153S38.1Very low36.4Very low106 Ų106136.4 Ų136.474%0.74180%0.804SS**  trans-148.9144.1149.949.50000109.6
154P34Very low36.6Very low131 Ų131137.2 Ų137.285%0.85179%0.787SS**  trans-85.6137.3-170.432.7-34.2000112.9
155I42.2Very low36.8Very low145 Ų145133.4 Ų133.474%0.74477%0.773SS**  trans-123.3131.8174.1-59.8177.7000108.6
156P36.1Very low37Very low127 Ų127131.4 Ų131.483%0.82576%0.758SS**  trans-66.3143.7-176.425.7-34000113.2
157L35Very low37.1Very low161 Ų161133.1 Ų133.184%0.84375%0.75SS**  trans-91112.6-168.1-74.1165.3000113.5
158S39.3Very low37.7Very low111 Ų111133.4 Ų133.478%0.77674%0.737SS**  trans-96.5101.5161.2-165.60000111.7R160S158-R160 PolarHBondContact O-N 2.62Å
159R37.3Very low37.7Very low240 Ų240133.1 Ų133.191%0.90674%0.736SS**  trans45.560.3155.7-58.2-174.8179.3-176.51117.9
160R37.3Very low38.1Very low215 Ų215131.4 Ų131.481%0.81174%0.735SS**  trans-73.6151148.9-75.9-173.7177.7-176.91110.1S158 T162S158-R160 PolarHBondContact O-N 2.62Å; R160-T162 PolarHBondContact O-N 3.43Å
161P36.3Very low37.9Very low116 Ų116132.1 Ų132.175%0.75373%0.733SS**  trans-64.8130.6178.526.6-34.5000111.5L163P161-L163 PolarHBondContact O-N 3.38Å; P161-L163 VanDerWaalsContact O-N 3.16Å
162T34.2Very low37.9Very low128 Ų128135.9 Ų135.979%0.78574%0.737SS**  trans-65.2111.5-179-480000111.3R160 I164R160-T162 PolarHBondContact O-N 3.43Å; T162-I164 HydrophobicContact CG2-CG1 4.36Å
163L36.6Very low38.4Very low117 Ų117133.2 Ų133.261%0.61373%0.73SS**  trans-90.5116.8167-67.2174.5000109P161 L180P161-L163 PolarHBondContact O-N 3.38Å; P161-L163 VanDerWaalsContact O-N 3.16Å; L163-L180 HydrophobicContact CD1-CD2 4.47Å
164I35.7Very low38.4Very low103 Ų103136 Ų13653%0.52874%0.737SS.*EExtended strand (participates in β ladder)trans-88.7112.1171.4-59.4177.8000107.7T162T162-I164 HydrophobicContact CG2-CG1 4.36Å
165V35.2Very low38.8Very low86 Ų86132.8 Ų132.852%0.52172%0.718SS.*EExtended strand (participates in β ladder)trans-99.999173.6-179.50000108.2F178 L180V165-F178 HydrophobicContact CG1-CB 4.29Å; V165-F178 HydrophobicContact CG1-CD1 3.73Å; V165-F178 HydrophobicContact CG1-CE1 4.48Å; V165-F178 HydrophobicContact CG1-CG 4.32Å; V165-L180 HydrophobicContact CG2-CD2 4.16Å
166Q37Very low38.6Very low113 Ų113133.7 Ų133.753%0.52872%0.718SS.*EExtended strand (participates in β ladder)trans-91.5125.2178.1-170.1170.9-5.600110.5L168Q166-L168 PolarHBondContact O-N 3.31Å
167K40.4Very low38.8Very low160 Ų160134.8 Ų134.870%0.69671%0.706SS**EExtended strand (participates in β ladder)trans-75.4119.2170.9-177.4-178.8178.2-176.90108.9S169K167-S169 PolarHBondContact O-N 2.99Å; K167-S169 VanDerWaalsContact O-N 3.14Å
168L44.5Very low39Very low105 Ų105133 Ų13355%0.5569%0.692SS.*  trans-75.999.4177.2-70.6172.3000110.9Q166Q166-L168 PolarHBondContact O-N 3.31Å
169S39.6Very low39.1Very low115 Ų115129.9 Ų129.980%0.80467%0.672SS**THydrogen-bonded Turntrans-75124.5168.8-55.90000110.2K167K167-S169 PolarHBondContact O-N 2.99Å; K167-S169 VanDerWaalsContact O-N 3.14Å
170G44.6Very low39Very low75 Ų75123.9 Ų123.977%0.77366%0.658SS**THydrogen-bonded Turntrans143.6-9.6167.800000118.1
171L39.9Very low39.1Very low123 Ų123117.7 Ų117.764%0.64464%0.64SS**  trans-105.8121.1-176.5-65.1177.2000112.8S173L171-S173 VanDerWaalsContact C-N 3.32Å; L171-S173 PolarHBondContact O-N 2.92Å
172K38Very low39.3Very low226 Ų226122 Ų12298%0.98364%0.641SS**  trans-75.870.5176.6-65.6-178.2178.9179.20112.2
173S44.7Very low39.4Very low94 Ų94127.9 Ų127.966%0.65765%0.649SS**SBendtrans-162.4154.2168.9-163.60000112.2L171 S175L171-S173 VanDerWaalsContact C-N 3.32Å; L171-S173 PolarHBondContact O-N 2.92Å; S173-S175 PolarHBondContact O-N 3.34Å
174N38Very low39.4Very low166 Ų166124.5 Ų124.589%0.88864%0.642SS**SBendtrans-74.962.3179.2-70.8-9.1000112
175S42.3Very low39.6Very low63 Ų63127.5 Ų127.544%0.44166%0.659SS.*  trans-130.4101.6-177.3-172.30000109.7S173 R177S173-S175 PolarHBondContact O-N 3.34Å; S175-R177 PolarHBondContact O-N 2.87Å; S175-R177 PolarHBondContact OG-NE 3.41Å
176H38.4Very low39.9Very low164 Ų164126.5 Ų126.576%0.75967%0.666SS**  trans-71.675.6177.2-74.9-84.2000111.3F178H176-F178 HydrophobicContact CB-CE2 4.07Å
177R40Very low39.9Very low150 Ų150127.5 Ų127.557%0.56668%0.68SS**  trans-83.3116.8175.4-59.7-176.3-171.7-175.20.3110.1S175S175-R177 PolarHBondContact O-N 2.87Å; S175-R177 PolarHBondContact OG-NE 3.41Å
178F39.3Very low39.9Very low123 Ų123127.5 Ų127.554%0.53968%0.683SS.*EExtended strand (participates in β ladder)trans-112.7143.7167.5-61.3-81.4000109V165 H176V165-F178 HydrophobicContact CG1-CB 4.29Å; V165-F178 HydrophobicContact CG1-CD1 3.73Å; V165-F178 HydrophobicContact CG1-CE1 4.48Å; V165-F178 HydrophobicContact CG1-CG 4.32Å; H176-F178 HydrophobicContact CB-CE2 4.07Å
179A41.3Very low39.5Very low45 Ų45131.1 Ų131.137%0.37270%0.696SS.*EExtended strand (participates in β ladder)trans-112.2136.6171.800000109.6
180L35.7Very low39.5Very low114 Ų114132 Ų13260%0.59769%0.69SS**EExtended strand (participates in β ladder)trans-95.4110.2172.6-76167.9000108.9L163 V165L163-L180 HydrophobicContact CD1-CD2 4.47Å; V165-L180 HydrophobicContact CG2-CD2 4.16Å
181I40.2Very low39Very low86 Ų86135.5 Ų135.544%0.44169%0.687SS.*EExtended strand (participates in β ladder)trans-94.8115.7178.6-56.7176.7000109.2
182R39.1Very low38.7Very low207 Ų207134.5 Ų134.578%0.78169%0.69SS**  trans-98.2126.8169.5-170.6179.6-170159.84.2109G184R182-G184 PolarHBondContact O-N 3.29Å
183R36.3Very low38.3Very low251 Ų251130.1 Ų130.195%0.94768%0.677SS**SBendtrans-73.4123.2164-95.5-171.3170.7-167.8-2108.6
184G37.7Very low37.6Very low46 Ų46136 Ų13647%0.47469%0.687SS.*SBendtrans102.4111-17200000111.6R182R182-G184 PolarHBondContact O-N 3.29Å
185D39.9Very low37.4Very low165 Ų165139.4 Ų139.488%0.88269%0.687SS**SBendtrans59.885.2161-47.3-19.8000117.6
186G41.1Very low36.8Very low65 Ų65141.3 Ų141.367%0.6770%0.698SS**  trans92.4132.115700000117Q188G186-Q188 PolarHBondContact O-N 3.41Å
187V36.3Very low36.5Very low134 Ų134138.5 Ų138.581%0.81270%0.703SS**  trans-82.5109169.6-179.70000108.9
188Q41Very low36Very low161 Ų161139.9 Ų139.975%0.75271%0.71SS**  trans-100.4115.7173.2-69.1-168.1-1400111.1G186 I190G186-Q188 PolarHBondContact O-N 3.41Å; Q188-I190 PolarHBondContact O-N 2.78Å
189H35.7Very low35.5Very low180 Ų180141.6 Ų141.683%0.83372%0.724SS**  trans-78.1109.8172.4-78.7-109.7000110.2
190I39.8Very low35Very low134 Ų134146.3 Ų146.369%0.68774%0.741SS**  trans-106.3106.9171-58.4178.8000108.4Q188Q188-I190 PolarHBondContact O-N 2.78Å
191Q34.3Very low34.8Very low149 Ų149149.3 Ų149.370%0.69675%0.753SS**  trans-94.7100.6177.8179.7177.4-23.200110.7N193Q191-N193 PolarHBondContact NE2-OD1 3.4Å; Q191-N193 PolarHBondContact O-N 3.05Å
192S33.7Very low34.2Very low101 Ų101148.4 Ų148.471%0.70677%0.765SS**  trans-86.4101.7170.247.60000111.3Y194S192-Y194 PolarHBondContact O-N 3.1Å
193N30.3Very low33.9Very low135 Ų135147.2 Ų147.272%0.72277%0.767SS**  trans-7881.1173.2-71.8-27000110.8Q191Q191-N193 PolarHBondContact NE2-OD1 3.4Å; Q191-N193 PolarHBondContact O-N 3.05Å
194Y30.2Very low33.7Very low217 Ų217142.6 Ų142.685%0.85176%0.757SS**  trans-111.8115.6171.7-124.3-97.2000110.9S192S192-Y194 PolarHBondContact O-N 3.1Å
195R32.1Very low33.2Very low238 Ų238146.6 Ų146.690%0.89877%0.766SS**  trans-91.9122.9171.5-83-176170.6-180-2.7109.4
196P30.2Very low32.7Very low103 Ų103145 Ų14567%0.66976%0.758SS**  trans-75.1130.6164.231.1-31.3000109.5
197A32.8Very low32.1Very low105 Ų105151.8 Ų151.887%0.86876%0.763SS**  trans-106.4137.3167.500000108.9
198Y29.4Very low31.8Very low179 Ų179153 Ų15370%0.70276%0.76SS**  trans-143142.8-176.641.8-105.2000111.1
199L28.1Very low31.4Very low159 Ų159156.3 Ų156.383%0.83277%0.765SS**  trans63.8130.5173.6-56.6163.3000113.6
200L31.4Very low31Very low143 Ų143153.9 Ų153.975%0.74976%0.757SS**  -147.8-176.753.5-92.4160.1000113.8
201Q31.8Very low30.6Very low178 Ų178157 Ų15783%0.83276%0.762SS**  trans-34156.6169.1-61.1138.8-18.500115
202G27.7Very low30.5Very low67 Ų67156.7 Ų156.769%0.69176%0.76SS**  cis128.3129.710.800000110.6
203H31.6Very low30.3Very low182 Ų182158 Ų15884%0.84376%0.759SS**  trans72.1121.5179.3-77.6-100.2000120.2
204Q31.7Very low30.3Very low154 Ų154156.3 Ų156.372%0.7276%0.758SS**  trans83.7117.1136.2-73.3-164.51.200123.8
205L28.9Very low30.5Very low129 Ų129152.1 Ų152.168%0.67576%0.755SS**  81.9102.8126.7-64.8175.5000122.2
206N28.1Very low30.4Very low133 Ų133145.6 Ų145.671%0.71175%0.746SS**  89.4134.8119.1-99.4-27.1000123.8
207R28.8Very low30.7Very low206 Ų206147.3 Ų147.378%0.77775%0.754SS**  trans73.5104.8142.6-69.7-175.8168.7-176.9-3.8122.8
208H30.1Very low30.7Very low161 Ų161150 Ų15075%0.74575%0.754SS**  47.5112.2121.7-55.4-55.9000122.6
209R31.7Very low31.1Very low229 Ų229146.2 Ų146.286%0.86476%0.76SS**  172.2133122-93.2159.3172.3173-3.9106.8
210I28.9Very low31.3Very low129 Ų129145.8 Ų145.866%0.66276%0.759SS**  cis72.813642.9-51.4177.8000112.4
211Y30.8Very low31.5Very low200 Ų200148 Ų14878%0.78477%0.766SS**  trans82145.7-177.4-57.5-82.3000117.3
212H31.8Very low31.5Very low143 Ų143149.8 Ų149.866%0.66277%0.765SS**  cis-172.4158.7-40.8-122.9-82000110
213N29.8Very low31.7Very low129 Ų129153.9 Ų153.969%0.6977%0.77SS**  trans67.3120.2145.7-80.513.3000124.9
214S30.3Very low31.9Very low98 Ų98148.4 Ų148.469%0.68576%0.763SS**  102.4154.8112.9-70.30000123.4
215T34.9Very low32Very low130 Ų130146.3 Ų146.380%0.79876%0.764SS**  trans77.2117.1161.7-6.20000116.4
216S30.6Very low32.4Very low101 Ų101146.5 Ų146.571%0.70677%0.765SS**  cis103.8110.48.786.50000117.9
217T36.6Very low32.7Very low138 Ų138146.2 Ų146.285%0.84776%0.764SS**  trans-173.7134.1152.726.70000106.9
218N32.3Very low33.1Very low161 Ų161143.4 Ų143.486%0.86176%0.764SS**  cis77.3109.344.9-83.9-4.4000116.7
219A36.3Very low33.2Very low101 Ų101140.2 Ų140.284%0.83576%0.76SS**  trans-173.4147.3132.200000113
220N33Very low33.6Very low149 Ų149137.8 Ų137.880%0.79776%0.761SS**  trans-96.5160.5-175-56.1-71.3000114.3
221Q37Very low33.8Very low191 Ų191138.4 Ų138.489%0.89377%0.765SS**  159.7161.8129.7-88164.69600112.7
222R30.5Very low34Very low215 Ų215136.6 Ų136.681%0.81177%0.769SS**  cis-171.4157.4-45.7-135.9-173.9178.3-157.40.1110.3
223L31.9Very low34Very low152 Ų152135.5 Ų135.580%0.79677%0.767SS**  trans70.2124.6152.5-75.7160.4000122.7
224G35.7Very low34.3Very low68 Ų68134 Ų13470%0.70177%0.767SS**  109.4144.3126.600000118.9
225C33.8Very low34.5Very low109 Ų109139.9 Ų139.974%0.73678%0.776SS**  cis-170.7174.5-38.737.50000110
226D36.8Very low34.5Very low133 Ų133137.5 Ų137.571%0.71177%0.769SS**  trans74150.3160.1-55.7-49.9000120.1
227N34.5Very low34.6Very low128 Ų128137.4 Ų137.468%0.68477%0.768SS**  cis-165.6-177.2-39.5-124.1-45.3000111.2
228D37.5Very low34.3Very low147 Ų147138.9 Ų138.979%0.78677%0.77SS**  trans67.5153.5166.9-55.5-31.7000118
229S33.7Very low34.4Very low93 Ų93136.1 Ų136.165%0.6576%0.764SS**  cis174.5165.2-2567.50000104.6
230M38.2Very low34.4Very low179 Ų179136.4 Ų136.488%0.88276%0.757SS**  cis-141.1175.715.7-62.8-172.5-178.400112.5
231N33.8Very low34.4Very low142 Ų142134.4 Ų134.476%0.75976%0.755SS**  trans-80.2163.7174.3-99.7-7.3000114.3
232L35.1Very low34.3Very low162 Ų162131.5 Ų131.585%0.84875%0.75SS**  -173153.399.6-153.459.6000113.9
233D32.7Very low34.2Very low119 Ų119131.6 Ų131.664%0.63675%0.752SS**  trans-90.3173.1-168.2-43.5-103.7000115.2
234S34.6Very low34.4Very low97 Ų97131.3 Ų131.368%0.67876%0.757SS**  169149.5106.2-71.20000116.2
235Y35.6Very low34.1Very low222 Ų222134.1 Ų134.187%0.87175%0.752SS**  trans59.8129.7167-64.7-75.8000118.5
236A35.3Very low34.2Very low81 Ų81140.4 Ų140.467%0.66976%0.762SS**  cis112.1150.224.600000111.5
237S31.4Very low34Very low98 Ų98141.1 Ų141.169%0.68576%0.761SS**  cis-171.5164.2-15.653.10000112
238L31.2Very low33.9Very low169 Ų169139.4 Ų139.489%0.88576%0.764SS**  trans74.1132.9153.9-68.7158.6000122.5
239S34.6Very low34Very low103 Ų103137.6 Ų137.672%0.7276%0.76SS**  trans-104.8-176.2153.565.60000108.4
240P36.4Very low33.9Very low107 Ų107140 Ų14070%0.69577%0.766SS**  cis-155.6-154.942.445-20.9000116.8
241S32.5Very low33.7Very low108 Ų108139.5 Ų139.576%0.75577%0.767SS**  trans72.4158.5160.857.30000118
242T34.4Very low33.4Very low130 Ų130138.2 Ų138.280%0.79877%0.765SS**  cis-149.8166.328.7-50.50000114.1
243Y28.9Very low33.2Very low217 Ų217137 Ų13785%0.85176%0.764SS**  trans-80.5163.2176.5-83.8-115.8000115.4
244T36.4Very low32.9Very low145 Ų145136.6 Ų136.689%0.8977%0.765SS**  trans-144.4172.7136.4-24.20000110.3
245E28.9Very low32.7Very low128 Ų128139.7 Ų139.760%0.59877%0.773SS**  trans-139.3152.8-153.5170.9-174.5-173.400111.8Q247E245-Q247 HydrophobicContact CG-CG 4.22Å; E245-Q247 WeakPolarHBondContact OE1-CG 3.32Å; E245-Q247 PolarHBondContact OE1-NE2 3.2Å
246Y35.3Very low32.3Very low241 Ų241135.5 Ų135.595%0.94577%0.77SS**  trans-155.2157149.1-101.7-68.6000111.1
247Q33.1Very low32.1Very low148 Ų148135.1 Ų135.169%0.69277%0.774SS**  trans-124137.4-151.9-60.9176.4-11.400116.2E245E245-Q247 HydrophobicContact CG-CG 4.22Å; E245-Q247 WeakPolarHBondContact OE1-CG 3.32Å; E245-Q247 PolarHBondContact OE1-NE2 3.2Å
248A33.4Very low31.9Very low91 Ų91133.9 Ų133.975%0.75278%0.777SS**  trans59.4175.4133.200000120.3
249P39.3Very low32Very low109 Ų109133.9 Ų133.971%0.70878%0.776SS**  cis-128.9154.7-7.839.7-23.9000117.2
250N30.7Very low31.7Very low144 Ų144133.5 Ų133.577%0.7777%0.774SS**  trans25.8131.4138.8-48.2-13000121.5
251N33.8Very low31.6Very low169 Ų169136.2 Ų136.290%0.90478%0.782SS**  -155.6156.6112.7-119.3-25.4000113.5
252T27.5Very low31.8Very low115 Ų115136.2 Ų136.271%0.70678%0.779SS**  trans-127.8134.2-167.1-55.10000111.8
253T32.2Very low31.8Very low135 Ų135136.7 Ų136.783%0.82878%0.777SS**  trans-141.8130.2158-37.40000111.1
254V25.4Very low32Very low111 Ų111136 Ų13667%0.67377%0.773SS**  trans-117.3135.3171.3176.70000107.6
255I31.6Very low31.8Very low163 Ų163138.2 Ų138.284%0.83677%0.77SS**  trans-132.2133.7164.1-63.2-176000108.3
256T25.3Very low32.1Very low133 Ų133138.8 Ų138.882%0.81678%0.782SS**  trans-129.6133.5-171.8-50.70000110.7
257G31.7Very low31.9Very low73 Ų73132.8 Ų132.875%0.75377%0.773SS**  trans164.4129.717700000107.4
258G27.6Very low31.6Very low73 Ų73129.7 Ų129.775%0.75378%0.78SS**  cis91.9112.548.700000106.7
259I33.4Very low31.7Very low168 Ų168131.4 Ų131.486%0.86279%0.787SS**  -150.5156.652.2-82.3154000112.7
260S28.9Very low31.3Very low96 Ų96129.7 Ų129.767%0.67179%0.789SS**  trans-59.8168.317125.20000115.1
261L32.9Very low31.3Very low163 Ų163128.2 Ų128.285%0.85379%0.79SS**  cis-157.9-176-1.3-107163.3000107
262P37.7Very low31.2Very low108 Ų108124.7 Ų124.770%0.70178%0.784SS**  trans-114.4-178.9-145.944.5-39.7000115.9
263N34.1Very low31.3Very low141 Ų141126.5 Ų126.575%0.75479%0.79SS**  trans-148.6118.2152.2-130-27.7000114.9
264R33.8Very low31.4Very low203 Ų203128.7 Ų128.777%0.76679%0.791SS**  trans66.6100.4134.6-166.3172.6-62.4-142.5-3.5122.2
265F30.7Very low31.8Very low191 Ų191131.3 Ų131.384%0.83880%0.795SS**  trans46.8118.5134-75.3-96.7000121.4
266V35.2Very low32.2Very low139 Ų139127.1 Ų127.184%0.84278%0.777SS**  -151.2139.1105.1166.30000107.2
267P31.8Very low32.9Very low116 Ų116123.6 Ų123.675%0.75375%0.751SS**  trans-78.2147.5-178.731.8-36.3000113.1
268G26.8Very low33.7Very low82 Ų82125.8 Ų125.885%0.84575%0.745SS**  trans-90.1148.7179.800000114.7
269S35.6Very low35Very low127 Ų127123.5 Ų123.589%0.88872%0.716SS**  trans-108.4150.1144.255.20000107.4
270G29.9Very low35.9Very low73 Ų73117.3 Ų117.375%0.75369%0.686SS**  cis152.6101.73.700000106.1
271S31.4Very low37.2Very low113 Ų113120 Ų12079%0.7969%0.693SS**  trans-49.8136.6-153.6-55.10000115.4N273S271-N273 PolarHBondContact O-N 3.19Å
272A31.7Very low38.7Very low96 Ų96113.3 Ų113.379%0.79366%0.658SS**  trans-62.7107.7169.900000109.8Q274A272-Q274 PolarHBondContact O-N 2.98Å
273N29.7Very low40.5Very low153 Ų153111.6 Ų111.682%0.81864%0.642SS**  trans-63.1109.7174.5-82.3-28.7000109.6S271 H275S271-N273 PolarHBondContact O-N 3.19Å; N273-H275 PolarHBondContact O-N 3.08Å
274Q34.1Very low43Very low181 Ų181107.8 Ų107.885%0.84662%0.619SS**  trans-63.6101.1168.9-67.6-178.6-0.800108.2A272 V276A272-Q274 PolarHBondContact O-N 2.98Å; Q274-V276 VanDerWaalsContact C-N 3.3Å; Q274-V276 PolarHBondContact O-N 3.36Å
275H34.8Very low45.8Very low165 Ų16598.1 Ų98.176%0.76458%0.583SS**  trans-77.982.4-173.8-161.1-63.4000109.9N273 Q277N273-H275 PolarHBondContact O-N 3.08Å; H275-Q277 PolarHBondContact O-N 3.34Å; H275-Q277 VanDerWaalsContact O-N 3.07Å
276V38.5Very low48.7Very low76 Ų7691.7 Ų91.746%0.46156%0.555SS.*  trans-49.9117.5-179.4-176.40000109.6Q274 L278 H463Q274-V276 VanDerWaalsContact C-N 3.3Å; Q274-V276 PolarHBondContact O-N 3.36Å; V276-L278 HydrophobicContact CB-CD1 4.19Å; V276-L278 HydrophobicContact CG1-CD1 3.91Å; V276-L278 PolarHBondContact O-N 2.88Å; V276-H463 HydrophobicContact CG1-CB 4.42Å
277Q41.8Very low51.5Low58 Ų5890.1 Ų90.127%0.27154%0.535SS..  trans-73.483.8168.1-68.1-174.4-3.300107.9H275 L279H275-Q277 PolarHBondContact O-N 3.34Å; H275-Q277 VanDerWaalsContact O-N 3.07Å; Q277-L279 PolarHBondContact O-N 3.33Å
278L46.6Very low54.4Low120 Ų12086.4 Ų86.463%0.62851%0.507SS*.PPolyproline II helixtrans-58.6130.7158.3-82.583.6000107V276V276-L278 HydrophobicContact CB-CD1 4.19Å; V276-L278 HydrophobicContact CG1-CD1 3.91Å; V276-L278 PolarHBondContact O-N 2.88Å
279L56.2Low57.6Low25 Ų2582.5 Ų82.513%0.13147%0.467CS..PPolyproline II helixtrans-53.7149.1155.9-76.592.7000108Q277 W456 F457 H460Q277-L279 PolarHBondContact O-N 3.33Å; L279-W456 HydrophobicContact CD2-CH2 3.88Å; L279-W456 HydrophobicContact CD2-CZ3 3.65Å; L279-F457 HydrophobicContact CD2-CD2 3.69Å; L279-F457 HydrophobicContact CD2-CE2 3.85Å; L279-F457 HydrophobicContact CD2-CG 4.49Å; L279-H460 HydrophobicContact CD1-CB 3.89Å; L279-H460 WeakPolarHBondContact CD1-O 3.45Å; L279-H460 HydrophobicContact CD2-CB 4.35Å; L279-H460 HydrophobicContact CG-CB 4.3Å
280P52.4Low60.6Low38 Ų3876.4 Ų76.425%0.24743%0.425CS..PPolyproline II helixtrans-53.8160.4163.3-15.728.3000109.7M127 I282M127-P280 HydrophobicContact SD-CG 3.95Å; P280-I282 HydrophobicContact CB-CD1 3.83Å; P280-I282 HydrophobicContact CB-CG1 4.04Å; P280-I282 HydrophobicContact CG-CD1 3.94Å; P280-I282 WeakPolarHBondContact O-CB 3.46Å; P280-I282 PolarHBondContact O-N 2.8Å
281D56.1Low63.7Low152 Ų15273 Ų7381%0.81339%0.389SS*.SBendtrans-68.265.7-177.4-170.631.5000112.4
282I63.8Low66.9Low23 Ų2367.6 Ų67.612%0.11835%0.351CS..  trans-106.6110.7-173-71.5170.8000105.3W117 M127 P280 F457W117-I282 HydrophobicContact CD2-CG2 4.38Å; W117-I282 VanDerWaalsContact CE2-CG2 3.41Å; W117-I282 HydrophobicContact CH2-CG2 4.15Å; W117-I282 HydrophobicContact CZ2-CG2 3.28Å; M127-I282 HydrophobicContact CE-CD1 3.68Å; P280-I282 HydrophobicContact CB-CD1 3.83Å; P280-I282 HydrophobicContact CB-CG1 4.04Å; P280-I282 HydrophobicContact CG-CD1 3.94Å; P280-I282 WeakPolarHBondContact O-CB 3.46Å; P280-I282 PolarHBondContact O-N 2.8Å; I282-F457 WeakPolarHBondContact O-CE2 3.45Å
283M74.6Confident70Confident72 Ų7263 Ų6336%0.35531%0.314SS..PPolyproline II helixtrans-60.5141.5172.6-63.5-178.76700109.4K112 T113 L116 W117K112-M283 HydrophobicContact CB-SD 4.13Å; K112-M283 HydrophobicContact CD-SD 3.66Å; K112-M283 HydrophobicContact CG-SD 3.85Å; T113-M283 HydrophobicContact CG2-CB 3.97Å; T113-M283 WeakPolarHBondContact OG1-CB 3.36Å; L116-M283 HydrophobicContact CD1-CG 4.07Å; L116-M283 HydrophobicContact CD1-SD 4.24Å; W117-M283 PolarHBondContact NE1-O 2.76Å; W117-M283 VanDerWaalsContact NE1-O 3.11Å
284E87.9Confident73.2Confident61 Ų6155.9 Ų55.929%0.28528%0.275SS..PPolyproline II helixtrans-53.3122.7-175.2-175.4-179.2-108.400110.6T113 R454 F457 Q458 K461T113-E284 VanDerWaalsContact CG2-O 3.31Å; T113-E284 WeakPolarHBondContact CG2-O 3.26Å; E284-R454 VanDerWaalsContact CD-CZ 3.49Å; E284-R454 VanDerWaalsContact CD-NH1 3.26Å; E284-R454 VanDerWaalsContact CD-NH2 3.3Å; E284-R454 VanDerWaalsContact CG-NH1 3.29Å; E284-R454 IonicContact OE1-NH2 2.74Å; E284-R454 IonicContact OE2-CZ 3.44Å; E284-R454 IonicContact OE2-NH1 3.6Å; E284-R454 PolarHBondContact OE2-NH1 2.93Å; E284-R454 IonicContact OE2-NH2 3.25Å; E284-R454 PolarHBondContact OE2-NH2 2.96Å; E284-F457 HydrophobicContact CB-CD1 4.24Å; E284-F457 HydrophobicContact CB-CE1 3.7Å; E284-F457 HydrophobicContact CB-CE2 4.44Å; E284-F457 HydrophobicContact CB-CZ 3.82Å; E284-F457 HydrophobicContact CG-CD1 3.64Å; E284-F457 HydrophobicContact CG-CE1 3.51Å; E284-F457 HydrophobicContact CG-CG 4.35Å; E284-F457 HydrophobicContact CG-CZ 4.14Å; E284-Q458 PolarHBondContact OE1-NE2 2.77Å; E284-K461 IonicContact OE1-NZ 3.29Å; E284-K461 PolarHBondContact OE1-NZ 3.44Å
285P91.3Very high76Confident0 Ų047.8 Ų47.80%024%0.237CC..PPolyproline II helixtrans-64.6151.5-171.420.6-29.5000113.1W117 Q289 C453 R454 F457W117-P285 HydrophobicContact CH2-CG 4.47Å; W117-P285 HydrophobicContact CZ2-CB 3.8Å; W117-P285 HydrophobicContact CZ2-CG 3.66Å; P285-Q289 VanDerWaalsContact CA-OE1 3.28Å; P285-Q289 HydrophobicContact CB-CB 4.4Å; P285-C453 HydrophobicContact CB-CB 3.88Å; P285-C453 HydrophobicContact CG-CB 3.97Å; P285-C453 VanDerWaalsContact CG-O 3.3Å; P285-C453 WeakPolarHBondContact CG-O 3.43Å; P285-R454 WeakPolarHBondContact O-CD 3.3Å; P285-R454 PolarHBondContact O-NH1 3.38Å; P285-F457 HydrophobicContact CG-CB 3.84Å; P285-F457 HydrophobicContact CG-CG 4.3Å
286E91.7Very high78.8Confident55 Ų5540 Ų4026%0.25720%0.201SC..PPolyproline II helixtrans-73.1148.1175.6-61.1179.2-145.200109.9S111 T113 H288 Q289S111-E286 WeakPolarHBondContact CB-OE1 3.16Å; S111-E286 PolarHBondContact OG-OE1 2.99Å; T113-E286 HydrophobicContact CG2-CG 4.49Å; E286-H288 PolarHBondContact O-N 3.48Å; E286-H288 IonicContact OE2-CE1 3.08Å; E286-H288 PolarHBondContact OE2-CE1 3.08Å; E286-Q289 HydrophobicContact CB-CG 4.14Å; E286-Q289 VanDerWaalsContact N-OE1 3.09Å; E286-Q289 WeakPolarHBondContact O-CB 3.46Å; E286-Q289 PolarHBondContact O-N 3.22Å
287Y94.1Very high81.3Confident107 Ų10737.4 Ų37.442%0.4219%0.185SC..THydrogen-bonded Turntrans-56.9-27.3-169-80.3-76.6000114.8V362 G365 Y405 R454Y287-V362 VanDerWaalsContact O-CG1 3.32Å; Y287-V362 WeakPolarHBondContact O-CG1 3.44Å; Y287-G365 WeakPolarHBondContact O-CA 3.39Å; Y287-Y405 HydrophobicContact CD1-CE1 4.35Å; Y287-Y405 HydrophobicContact CE1-CD1 4.37Å; Y287-Y405 AromaticContact CE1-CE1 3.67Å; Y287-Y405 HydrophobicContact CE1-CE1 3.67Å; Y287-Y405 AromaticContact CE1-CZ 3.92Å; Y287-R454 HydrophobicContact CD1-CG 3.8Å; Y287-R454 HydrophobicContact CE1-CG 3.87Å; Y287-R454 PolarHBondContact OH-NH2 3.18Å
288H93.5Very high83.5Confident37 Ų3738.2 Ų38.217%0.17120%0.197CC..THydrogen-bonded Turntrans-86.9-0.7-179.363.8-91.9000114.9E286 T307 V362E286-H288 PolarHBondContact O-N 3.48Å; E286-H288 IonicContact OE2-CE1 3.08Å; E286-H288 PolarHBondContact OE2-CE1 3.08Å; H288-T307 PolarHBondContact CD2-O 3.41Å; H288-T307 PolarHBondContact NE2-O 2.89Å; H288-V362 HydrophobicContact CB-CB 4.32Å
289Q94.7Very high85.6Confident0 Ų034.2 Ų34.20%018%0.178CC..  trans-80.6124.9-174.4-65.3178.5-1800111.6P285 E286 V306 T307 C453P285-Q289 VanDerWaalsContact CA-OE1 3.28Å; P285-Q289 HydrophobicContact CB-CB 4.4Å; E286-Q289 HydrophobicContact CB-CG 4.14Å; E286-Q289 VanDerWaalsContact N-OE1 3.09Å; E286-Q289 WeakPolarHBondContact O-CB 3.46Å; E286-Q289 PolarHBondContact O-N 3.22Å; Q289-V306 WeakPolarHBondContact CA-O 3.16Å; Q289-T307 HydrophobicContact CG-CG2 4.2Å; Q289-C453 HydrophobicContact CB-CB 4.07Å; Q289-C453 VanDerWaalsContact O-CB 3.31Å; Q289-C453 WeakPolarHBondContact O-CB 3.31Å; Q289-C453 PolarHBondContact O-N 3.34Å; Q289-C453 VanDerWaalsContact O-N 3.08Å; Q289-C453 PolarHBondContact O-SG 2.75Å
290L97Very high87.3Confident0 Ų039.3 Ų39.30%020%0.195CC..EExtended strand (participates in β ladder)trans-114.9141.3-179.1-59.7178.6000111.7V292 I305 V306 L360 V362 I367 V450 A451L290-V292 HydrophobicContact CB-CG2 4.42Å; L290-I305 CarbonylContact O-C 3.49Å; L290-I305 VanDerWaalsContact O-CA 3.32Å; L290-I305 WeakPolarHBondContact O-CA 3.31Å; L290-V306 HydrophobicContact CB-CB 4.08Å; L290-V306 HydrophobicContact CB-CG2 4.23Å; L290-V306 PolarHBondContact N-O 2.92Å; L290-V306 PolarHBondContact O-N 3.03Å; L290-L360 HydrophobicContact CD1-CB 4.32Å; L290-V362 HydrophobicContact CD1-CG2 3.79Å; L290-V362 HydrophobicContact CD2-CG2 3.62Å; L290-V362 HydrophobicContact CG-CG2 3.71Å; L290-I367 HydrophobicContact CD1-CG2 4.37Å; L290-I367 HydrophobicContact CD2-CD1 3.61Å; L290-I367 HydrophobicContact CD2-CG1 3.8Å; L290-I367 HydrophobicContact CD2-CG2 4.35Å; L290-V450 HydrophobicContact CD1-CG1 4.41Å; L290-A451 CarbonylContact C-O 3.6Å; L290-A451 VanDerWaalsContact CA-O 3.3Å; L290-A451 WeakPolarHBondContact CA-O 3.4Å
291G96.9Very high89.2Confident0 Ų039.1 Ų39.10%019%0.191CC..EExtended strand (participates in β ladder)trans-84.1135.1155.700000109.3V450 A451 C453G291-V450 WeakPolarHBondContact O-CA 3.26Å; G291-A451 PolarHBondContact N-O 2.67Å; G291-A451 PolarHBondContact O-N 3.11Å; G291-C453 PolarHBondContact N-SG 2.7Å; G291-C453 VanDerWaalsContact N-SG 3.38Å
292V97.8Very high90.9Very high0 Ų035.4 Ų35.40%017%0.166CC..EExtended strand (participates in β ladder)trans-131.4125.5172.7177.80000108.9L290 I294 T304 V306 I314 I331 R449L290-V292 HydrophobicContact CB-CG2 4.42Å; V292-I294 HydrophobicContact CG1-CG1 4.31Å; V292-T304 HydrophobicContact CB-CG2 4.13Å; V292-T304 PolarHBondContact N-O 3Å; V292-T304 PolarHBondContact O-N 3.06Å; V292-V306 HydrophobicContact CG2-CG2 3.87Å; V292-I314 HydrophobicContact CG1-CD1 3.76Å; V292-I314 HydrophobicContact CG1-CG1 4.4Å; V292-I331 HydrophobicContact CB-CD1 4.22Å; V292-I331 HydrophobicContact CG1-CD1 4.15Å; V292-I331 HydrophobicContact CG2-CD1 4.17Å; V292-R449 WeakPolarHBondContact CA-O 3.24Å
293R96.9Very high92.4Very high1 Ų135.2 Ų35.20%0.00417%0.165CC..EExtended strand (participates in β ladder)trans-119.9127169.8163.7173.9-67.5175.5-1.1108.9F129 D130 Q295 R302 D303 A448 R449F129-R293 VanDerWaalsContact CB-CZ 3.46Å; F129-R293 HydrophobicContact CD2-CB 3.5Å; F129-R293 HydrophobicContact CE2-CB 3.44Å; F129-R293 VanDerWaalsContact CE2-CB 3.44Å; F129-R293 HydrophobicContact CG-CB 4.19Å; F129-R293 HydrophobicContact CZ-CB 4.07Å; D130-R293 VanDerWaalsContact CG-NH2 3.32Å; D130-R293 IonicContact OD1-CZ 2.82Å; D130-R293 IonicContact OD1-NH1 3.33Å; D130-R293 PolarHBondContact OD1-NH1 3.42Å; D130-R293 IonicContact OD1-NH2 2.67Å; D130-R293 PolarHBondContact OD1-NH2 3.03Å; D130-R293 IonicContact OD2-CZ 2.8Å; D130-R293 IonicContact OD2-NH1 3.24Å; D130-R293 IonicContact OD2-NH2 2.68Å; D130-R293 PolarHBondContact OD2-NH2 3.44Å; R293-Q295 HydrophobicContact CG-CG 4.03Å; R293-R302 CarbonylContact C-O 3.55Å; R293-R302 VanDerWaalsContact CA-O 3.25Å; R293-R302 WeakPolarHBondContact CA-O 3.47Å; R293-D303 WeakPolarHBondContact CB-OD1 3.22Å; R293-D303 VanDerWaalsContact CG-OD1 3.3Å; R293-D303 WeakPolarHBondContact CG-OD1 3.2Å; R293-D303 IonicContact CZ-OD1 2.7Å; R293-D303 IonicContact CZ-OD2 3.58Å; R293-D303 IonicContact NE-OD1 2.92Å; R293-D303 PolarHBondContact NE-OD1 3.02Å; R293-D303 IonicContact NE-OD2 2.69Å; R293-D303 PolarHBondContact NE-OD2 3.44Å; R293-D303 IonicContact NH2-OD1 3.44Å; R293-D303 IonicContact NH2-OD2 3.61Å; R293-D303 PolarHBondContact NH2-OD2 3.47Å; R293-A448 CarbonylContact O-C 3.54Å; R293-A448 WeakPolarHBondContact O-CA 3.07Å; R293-A448 WeakPolarHBondContact O-CB 3.29Å; R293-R449 HydrophobicContact CB-CB 4.33Å; R293-R449 PolarHBondContact N-O 3.36Å; R293-R449 PolarHBondContact O-N 3.19Å
294I96.1Very high93.4Very high2 Ų233.2 Ų33.21%0.0116%0.157CC..EExtended strand (participates in β ladder)trans-105131.4172.3-57.6175.9000108.6V292 I301 R302 I314 I331 A333 A448V292-I294 HydrophobicContact CG1-CG1 4.31Å; I294-I301 HydrophobicContact CB-CB 4.42Å; I294-I301 HydrophobicContact CG2-CB 4.22Å; I294-I301 WeakPolarHBondContact O-CB 3.43Å; I294-I301 PolarHBondContact O-N 3.49Å; I294-R302 HydrophobicContact CB-CB 4.29Å; I294-R302 PolarHBondContact N-O 3.1Å; I294-R302 PolarHBondContact O-N 3.01Å; I294-I314 HydrophobicContact CD1-CG2 3.83Å; I294-I314 HydrophobicContact CG1-CG2 4.5Å; I294-I331 HydrophobicContact CD1-CG2 3.67Å; I294-A333 HydrophobicContact CD1-CB 4.14Å; I294-A333 HydrophobicContact CG2-CB 4.12Å; I294-A448 HydrophobicContact CG1-CB 4.29Å
295Q94.3Very high93.7Very high11 Ų1130.7 Ų30.75%0.05115%0.146CC..EExtended strand (participates in β ladder)trans-131.4137.7178.5-78.3-175.8-119.300110.2R293 V299 R300 W447R293-Q295 HydrophobicContact CG-CG 4.03Å; Q295-V299 VanDerWaalsContact CA-O 3.29Å; Q295-V299 WeakPolarHBondContact CA-O 3.39Å; Q295-R300 HydrophobicContact CG-CG 4.22Å; Q295-W447 HydrophobicContact CB-CD2 3.96Å; Q295-W447 VanDerWaalsContact CB-CE2 3.45Å; Q295-W447 HydrophobicContact CB-CG 4.28Å; Q295-W447 HydrophobicContact CB-CZ2 3.83Å; Q295-W447 HydrophobicContact CG-CZ2 4.2Å; Q295-W447 PolarHBondContact N-O 3.49Å; Q295-W447 PolarHBondContact O-N 2.94Å
296H92.5Very high93.8Very high1 Ų130.9 Ų30.91%0.00515%0.147CC..EExtended strand (participates in β ladder)trans-117114.8169.3-62.3-172.5000106.1V299 I301 Q334 P336 L445H296-V299 PolarHBondContact N-O 3.19Å; H296-V299 VanDerWaalsContact O-CB 3.28Å; H296-V299 WeakPolarHBondContact O-CB 3.45Å; H296-V299 PolarHBondContact O-N 3.25Å; H296-I301 HydrophobicContact CB-CD1 4.2Å; H296-I301 HydrophobicContact CB-CG1 4.14Å; H296-Q334 PolarHBondContact CE1-O 2.82Å; H296-Q334 VanDerWaalsContact CE1-O 3.29Å; H296-P336 HydrophobicContact CB-CG 3.78Å; H296-P336 WeakPolarHBondContact ND1-CD 3.36Å; H296-P336 VanDerWaalsContact ND1-CG 3.3Å; H296-P336 WeakPolarHBondContact ND1-CG 3.42Å; H296-L445 WeakPolarHBondContact CA-O 3.47Å; H296-L445 VanDerWaalsContact CB-O 3.25Å; H296-L445 WeakPolarHBondContact CB-O 3.35Å
297L91.2Very high93.8Very high22 Ų2228.3 Ų28.312%0.11514%0.135CC..THydrogen-bonded Turntrans52.3-139.2-160.3-55.2165.2000110V299 I339 N343 D442 L444 L445 W447L297-V299 PolarHBondContact O-N 3.06Å; L297-I339 HydrophobicContact CD1-CG2 4.08Å; L297-N343 HydrophobicContact CD1-CB 4.02Å; L297-D442 CarbonylContact C-O 3.55Å; L297-D442 WeakPolarHBondContact CA-O 3.37Å; L297-D442 WeakPolarHBondContact CB-O 3.44Å; L297-L444 WeakPolarHBondContact CA-O 3.4Å; L297-L444 PolarHBondContact N-O 3.06Å; L297-L445 HydrophobicContact CD2-CD2 4.11Å; L297-L445 PolarHBondContact N-O 3.47Å; L297-W447 PolarHBondContact O-NE1 3Å
298S88.6Confident93.5Very high76 Ų7623.9 Ų23.953%0.53112%0.118SC..THydrogen-bonded Turntrans-73.6-6.6170.757.20000114.4R300 D442S298-R300 PolarHBondContact O-N 3Å; S298-D442 WeakPolarHBondContact CA-OD1 3.32Å; S298-D442 VanDerWaalsContact CB-OD1 3.28Å; S298-D442 WeakPolarHBondContact CB-OD1 3.41Å; S298-D442 PolarHBondContact N-O 2.75Å
299V90.4Very high93.3Very high36 Ų3625.6 Ų25.622%0.21813%0.133CC..EExtended strand (participates in β ladder)trans-80.1118.9-173.7-1670000110.5Q295 H296 L297 I301 P336Q295-V299 VanDerWaalsContact CA-O 3.29Å; Q295-V299 WeakPolarHBondContact CA-O 3.39Å; H296-V299 PolarHBondContact N-O 3.19Å; H296-V299 VanDerWaalsContact O-CB 3.28Å; H296-V299 WeakPolarHBondContact O-CB 3.45Å; H296-V299 PolarHBondContact O-N 3.25Å; L297-V299 PolarHBondContact O-N 3.06Å; V299-I301 HydrophobicContact CB-CD1 4.07Å; V299-I301 HydrophobicContact CG1-CD1 3.84Å; V299-I301 VanDerWaalsContact O-CD1 3.31Å; V299-I301 WeakPolarHBondContact O-CD1 3.42Å; V299-I301 PolarHBondContact O-N 2.16Å; V299-P336 HydrophobicContact CG1-CB 4.34Å
300R91.7Very high93.1Very high132 Ų13228 Ų2850%0.49815%0.146SC..EExtended strand (participates in β ladder)trans-76116.4175.9-61179.7-175-154.8-5.8110.7D130 Q295 S298D130-R300 VanDerWaalsContact CG-NH1 3.3Å; D130-R300 IonicContact OD1-CZ 3.09Å; D130-R300 VanDerWaalsContact OD1-CZ 3.24Å; D130-R300 IonicContact OD1-NH1 3.39Å; D130-R300 PolarHBondContact OD1-NH1 3.23Å; D130-R300 VanDerWaalsContact OD1-NH1 3.08Å; D130-R300 IonicContact OD1-NH2 2.73Å; D130-R300 PolarHBondContact OD1-NH2 2.96Å; D130-R300 IonicContact OD2-CZ 2.92Å; D130-R300 IonicContact OD2-NH1 2.96Å; D130-R300 PolarHBondContact OD2-NH1 3.06Å; D130-R300 IonicContact OD2-NH2 3.29Å; Q295-R300 HydrophobicContact CG-CG 4.22Å; S298-R300 PolarHBondContact O-N 3Å
301I91.8Very high92.9Very high33 Ų3328 Ų2817%0.16915%0.146CC..EExtended strand (participates in β ladder)trans-95.4-44.7-174.7-50.4-45.3000110.5I294 H296 V299 Q334 P336I294-I301 HydrophobicContact CB-CB 4.42Å; I294-I301 HydrophobicContact CG2-CB 4.22Å; I294-I301 WeakPolarHBondContact O-CB 3.43Å; I294-I301 PolarHBondContact O-N 3.49Å; H296-I301 HydrophobicContact CB-CD1 4.2Å; H296-I301 HydrophobicContact CB-CG1 4.14Å; V299-I301 HydrophobicContact CB-CD1 4.07Å; V299-I301 HydrophobicContact CG1-CD1 3.84Å; V299-I301 VanDerWaalsContact O-CD1 3.31Å; V299-I301 WeakPolarHBondContact O-CD1 3.42Å; V299-I301 PolarHBondContact O-N 2.16Å; I301-Q334 HydrophobicContact CG2-CB 3.96Å; I301-Q334 VanDerWaalsContact CG2-O 3.28Å; I301-Q334 WeakPolarHBondContact CG2-O 3.34Å; I301-P336 HydrophobicContact CD1-CB 3.59Å; I301-P336 HydrophobicContact CD1-CG 3.47Å; I301-P336 VanDerWaalsContact CD1-CG 3.47Å; I301-P336 HydrophobicContact CG1-CG 4.32Å
302R92.9Very high92.8Very high74 Ų7428 Ų2828%0.27915%0.146SC..EExtended strand (participates in β ladder)trans-157.3120.5-172.8-168.1169-176.3157.60.5111.7R293 I294 E332R293-R302 CarbonylContact C-O 3.55Å; R293-R302 VanDerWaalsContact CA-O 3.25Å; R293-R302 WeakPolarHBondContact CA-O 3.47Å; I294-R302 HydrophobicContact CB-CB 4.29Å; I294-R302 PolarHBondContact N-O 3.1Å; I294-R302 PolarHBondContact O-N 3.01Å; R302-E332 VanDerWaalsContact NH1-N 3.2Å; R302-E332 PolarHBondContact NH1-O 3.5Å
303D94.5Very high92.7Very high19 Ų1928 Ų2810%0.10215%0.146CC..EExtended strand (participates in β ladder)trans-106.7128.2167.2-85.414.6000108.6I122 A125 S126 R293I122-D303 HydrophobicContact CG2-CB 4.08Å; A125-D303 HydrophobicContact CB-CB 4.03Å; S126-D303 VanDerWaalsContact CA-OD2 3.3Å; S126-D303 WeakPolarHBondContact CA-OD2 3.4Å; S126-D303 WeakPolarHBondContact CB-OD2 3.3Å; S126-D303 PolarHBondContact N-OD2 3.32Å; S126-D303 PolarHBondContact OG-OD2 3.19Å; R293-D303 WeakPolarHBondContact CB-OD1 3.22Å; R293-D303 VanDerWaalsContact CG-OD1 3.3Å; R293-D303 WeakPolarHBondContact CG-OD1 3.2Å; R293-D303 IonicContact CZ-OD1 2.7Å; R293-D303 IonicContact CZ-OD2 3.58Å; R293-D303 IonicContact NE-OD1 2.92Å; R293-D303 PolarHBondContact NE-OD1 3.02Å; R293-D303 IonicContact NE-OD2 2.69Å; R293-D303 PolarHBondContact NE-OD2 3.44Å; R293-D303 IonicContact NH2-OD1 3.44Å; R293-D303 IonicContact NH2-OD2 3.61Å; R293-D303 PolarHBondContact NH2-OD2 3.47Å
304T94.9Very high92.6Very high31 Ų3128 Ų2819%0.1915%0.146CC..EExtended strand (participates in β ladder)trans-154.2157.7178.5-166.60000113.5A125 V292 I331A125-T304 WeakPolarHBondContact CB-O 3.35Å; V292-T304 HydrophobicContact CB-CG2 4.13Å; V292-T304 PolarHBondContact N-O 3Å; V292-T304 PolarHBondContact O-N 3.06Å; T304-I331 HydrophobicContact CG2-CD1 3.97Å
305I94.9Very high92.4Very high8 Ų829.3 Ų29.34%0.04115%0.151CC..EExtended strand (participates in β ladder)trans-105128167.5-57.2-67.9000108.8W117 A121 N124 A125 I128 L290 T307W117-I305 HydrophobicContact CB-CG2 4.36Å; W117-I305 HydrophobicContact CE3-CD1 3.94Å; W117-I305 HydrophobicContact CE3-CG1 4.04Å; W117-I305 HydrophobicContact CE3-CG2 4.15Å; W117-I305 HydrophobicContact CZ3-CD1 3.93Å; W117-I305 HydrophobicContact CZ3-CG1 4.49Å; A121-I305 HydrophobicContact CB-CB 4.18Å; A121-I305 HydrophobicContact CB-CG1 4.37Å; A121-I305 WeakPolarHBondContact O-CG1 3.17Å; N124-I305 HydrophobicContact CB-CD1 3.97Å; N124-I305 HydrophobicContact CB-CG1 3.7Å; A125-I305 HydrophobicContact CB-CD1 4.04Å; A125-I305 HydrophobicContact CB-CG1 4.43Å; I128-I305 HydrophobicContact CD1-CD1 3.85Å; L290-I305 CarbonylContact O-C 3.49Å; L290-I305 VanDerWaalsContact O-CA 3.32Å; L290-I305 WeakPolarHBondContact O-CA 3.31Å; I305-T307 HydrophobicContact CG2-CG2 4Å
306V94Very high92.2Very high3 Ų330.6 Ų30.62%0.01816%0.155CC..EExtended strand (participates in β ladder)trans-85.7134.4171.4-175.10000108.9Q289 L290 V292 C312 I331Q289-V306 WeakPolarHBondContact CA-O 3.16Å; L290-V306 HydrophobicContact CB-CB 4.08Å; L290-V306 HydrophobicContact CB-CG2 4.23Å; L290-V306 PolarHBondContact N-O 2.92Å; L290-V306 PolarHBondContact O-N 3.03Å; V292-V306 HydrophobicContact CG2-CG2 3.87Å; V306-C312 HydrophobicContact CB-CB 4.48Å; V306-C312 HydrophobicContact CG1-CB 3.88Å; V306-C312 HydrophobicContact CG2-CB 3.74Å; V306-I331 HydrophobicContact CG2-CD1 3.85Å
307T91.8Very high91.8Very high2 Ų232.3 Ų32.31%0.01217%0.174CC..  trans-133.4-2.4-177.945.50000114.1E114 W117 R118 H288 Q289 I305E114-T307 HydrophobicContact CG-CG2 3.69Å; E114-T307 WeakPolarHBondContact OE1-CB 3.08Å; W117-T307 HydrophobicContact CB-CG2 4.49Å; R118-T307 WeakPolarHBondContact CD-OG1 3.41Å; R118-T307 HydrophobicContact CG-CG2 3.75Å; R118-T307 VanDerWaalsContact CG-OG1 3.31Å; R118-T307 WeakPolarHBondContact CG-OG1 3.48Å; R118-T307 PolarHBondContact NH1-OG1 2.89Å; H288-T307 PolarHBondContact CD2-O 3.41Å; H288-T307 PolarHBondContact NE2-O 2.89Å; Q289-T307 HydrophobicContact CG-CG2 4.2Å; I305-T307 HydrophobicContact CG2-CG2 4Å
308N88.1Confident90.9Very high13 Ų1338.9 Ų38.97%0.0720%0.197CC..  trans-73127.6168.6179.8-10.7000110.3N310 G311 A327 D329N308-N310 PolarHBondContact O-N 3.25Å; N308-N310 VanDerWaalsContact OD1-CB 3.25Å; N308-N310 WeakPolarHBondContact OD1-CB 3.19Å; N308-N310 PolarHBondContact OD1-N 3.24Å; N308-N310 PolarHBondContact OD1-ND2 3Å; N308-G311 PolarHBondContact O-N 3.1Å; N308-A327 PolarHBondContact ND2-O 2.77Å; N308-A327 VanDerWaalsContact ND2-O 3.11Å; N308-D329 HydrophobicContact CB-CB 4.3Å; N308-D329 WeakPolarHBondContact CB-OD1 3.39Å; N308-D329 VanDerWaalsContact CB-OD2 3.22Å; N308-D329 WeakPolarHBondContact CB-OD2 3.32Å; N308-D329 PolarHBondContact ND2-N 2.69Å; N308-D329 PolarHBondContact ND2-OD1 3.11Å
309P89.4Confident90.1Very high73 Ų7337.3 Ų37.347%0.47418%0.181SC..THydrogen-bonded Turntrans-66.7-18.5178.528-35.6000113.7G311P309-G311 PolarHBondContact O-N 3.26Å
310N89.2Confident88.9Confident52 Ų5239.4 Ų39.428%0.27819%0.191SC..THydrogen-bonded Turntrans-74.6-5.3170.3-52-30.7000112.4N308 P325 A326 A327N308-N310 PolarHBondContact O-N 3.25Å; N308-N310 VanDerWaalsContact OD1-CB 3.25Å; N308-N310 WeakPolarHBondContact OD1-CB 3.19Å; N308-N310 PolarHBondContact OD1-N 3.24Å; N308-N310 PolarHBondContact OD1-ND2 3Å; N310-P325 PolarHBondContact ND2-O 2.69Å; N310-A326 WeakPolarHBondContact CB-O 3.42Å; N310-A326 WeakPolarHBondContact ND2-CA 3.46Å; N310-A326 PolarHBondContact ND2-O 2.87Å; N310-A327 PolarHBondContact ND2-O 2.7Å
311G93.4Very high87.4Confident0 Ų037 Ų370%019%0.185CC..  trans82.1-147.6-176.600000113.5N308 P309 D329 L360N308-G311 PolarHBondContact O-N 3.1Å; P309-G311 PolarHBondContact O-N 3.26Å; G311-D329 PolarHBondContact O-N 3.04Å; G311-L360 CarbonylContact C-O 3.5Å; G311-L360 VanDerWaalsContact CA-O 3.26Å; G311-L360 WeakPolarHBondContact CA-O 3.38Å
312C94.7Very high85.6Confident0 Ų041.9 Ų41.90%021%0.21CC..EExtended strand (participates in β ladder)trans-139.5162.9-177.667.50000112.5V306 D329 I331 L360V306-C312 HydrophobicContact CB-CB 4.48Å; V306-C312 HydrophobicContact CG1-CB 3.88Å; V306-C312 HydrophobicContact CG2-CB 3.74Å; C312-D329 CarbonylContact C-O 3.35Å; C312-D329 WeakPolarHBondContact CA-O 3.42Å; C312-D329 HydrophobicContact CB-CB 4.22Å; C312-D329 VanDerWaalsContact CB-O 3.27Å; C312-D329 WeakPolarHBondContact CB-O 3.45Å; C312-I331 HydrophobicContact CB-CD1 3.56Å; C312-I331 HydrophobicContact CB-CG1 4Å; C312-L360 PolarHBondContact N-O 3.35Å; C312-L360 PolarHBondContact O-N 3.02Å
313C94.8Very high83.6Confident0 Ų042.6 Ų42.60%023%0.227CC..EExtended strand (participates in β ladder)trans-120.3125.7166.9-175.20000109.7F319 P328 D329 I331 R356 I358 I359C313-F319 HydrophobicContact CB-CE2 3.75Å; C313-F319 HydrophobicContact CB-CZ 4.14Å; C313-P328 HydrophobicContact CB-CG 4.07Å; C313-D329 PolarHBondContact N-O 3.49Å; C313-I331 WeakPolarHBondContact O-CA 3.23Å; C313-I331 PolarHBondContact O-N 3.29Å; C313-R356 PolarHBondContact SG-O 2.8Å; C313-R356 VanDerWaalsContact SG-O 3.38Å; C313-I358 WeakPolarHBondContact CA-O 3.43Å; C313-I359 HydrophobicContact CB-CG1 4.3Å
314I95.1Very high82Confident0 Ų043.9 Ų43.90%024%0.237CC..EExtended strand (participates in β ladder)trans-93.1116.4171.9-57.7175.4000107.9V292 I294 I331 M354 G357 I358 L360 F431 A448V292-I314 HydrophobicContact CG1-CD1 3.76Å; V292-I314 HydrophobicContact CG1-CG1 4.4Å; I294-I314 HydrophobicContact CD1-CG2 3.83Å; I294-I314 HydrophobicContact CG1-CG2 4.5Å; I314-I331 WeakPolarHBondContact CA-O 3.37Å; I314-I331 HydrophobicContact CG1-CB 4.39Å; I314-M354 HydrophobicContact CG2-CE 4.27Å; I314-G357 CarbonylContact O-C 3.59Å; I314-G357 WeakPolarHBondContact O-CA 3.24Å; I314-I358 HydrophobicContact CB-CG2 3.89Å; I314-I358 PolarHBondContact N-O 2.67Å; I314-I358 PolarHBondContact O-N 2.83Å; I314-L360 HydrophobicContact CD1-CD1 3.7Å; I314-L360 HydrophobicContact CG1-CD1 4.24Å; I314-F431 HydrophobicContact CG2-CZ 4.31Å; I314-A448 HydrophobicContact CD1-CB 4.14Å
315Y93.4Very high80.1Confident30 Ų3045.3 Ų45.312%0.11825%0.247CC..EExtended strand (participates in β ladder)trans-143.8174.5-172.675.1-80.7000111.9F319 P330 I331 E332 A333Y315-F319 HydrophobicContact CD1-CB 4.12Å; Y315-F319 HydrophobicContact CD1-CD2 4.24Å; Y315-F319 HydrophobicContact CD1-CG 4.28Å; Y315-F319 HydrophobicContact CD2-CB 3.68Å; Y315-F319 HydrophobicContact CE1-CB 3.93Å; Y315-F319 HydrophobicContact CE1-CG 4.25Å; Y315-F319 HydrophobicContact CE2-CB 3.5Å; Y315-F319 VanDerWaalsContact CE2-CB 3.5Å; Y315-F319 HydrophobicContact CG-CB 4Å; Y315-F319 HydrophobicContact CG-CD2 4.29Å; Y315-F319 HydrophobicContact CG-CG 4.45Å; Y315-P330 HydrophobicContact CE1-CB 3.65Å; Y315-I331 PolarHBondContact N-O 2.84Å; Y315-I331 VanDerWaalsContact N-O 3.16Å; Y315-E332 HydrophobicContact CE1-CB 4.08Å; Y315-E332 HydrophobicContact CE2-CB 4.24Å; Y315-E332 HydrophobicContact CE2-CG 4.3Å; Y315-E332 CarbonylContact O-C 3.45Å; Y315-E332 WeakPolarHBondContact O-CA 3.49Å; Y315-A333 PolarHBondContact O-N 2.87Å
316Y90.2Very high78.9Confident37 Ų3748.1 Ų48.115%0.14527%0.271CS..  trans-131.9154.2166.6177.9-103.6000111.8R318 A333 I335 L351 D352 M354Y316-R318 PolarHBondContact O-N 3.38Å; Y316-A333 WeakPolarHBondContact CD2-O 3.47Å; Y316-I335 HydrophobicContact CE2-CD1 4.45Å; Y316-I335 HydrophobicContact CE2-CG1 3.83Å; Y316-I335 WeakPolarHBondContact OH-CD1 3.21Å; Y316-L351 WeakPolarHBondContact CB-O 3.36Å; Y316-L351 HydrophobicContact CD1-CB 3.69Å; Y316-L351 WeakPolarHBondContact CD1-O 3.22Å; Y316-L351 HydrophobicContact CD2-CB 3.94Å; Y316-L351 HydrophobicContact CD2-CD1 4.28Å; Y316-L351 HydrophobicContact CD2-CD2 3.94Å; Y316-L351 HydrophobicContact CD2-CG 4.27Å; Y316-L351 HydrophobicContact CE1-CB 3.8Å; Y316-L351 HydrophobicContact CE2-CB 4.06Å; Y316-L351 HydrophobicContact CE2-CD1 4.04Å; Y316-L351 HydrophobicContact CE2-CG 4.44Å; Y316-L351 HydrophobicContact CG-CB 3.7Å; Y316-L351 HydrophobicContact CG-CD2 4.11Å; Y316-L351 HydrophobicContact CG-CG 4.42Å; Y316-D352 WeakPolarHBondContact CE1-OD1 3.19Å; Y316-M354 PolarHBondContact N-O 2.74Å
317G82.7Confident78.2Confident38 Ų3848.8 Ų48.839%0.39228%0.277SS..SBendtrans70.6-118.8174.900000112.9
318R72.2Confident77.9Confident159 Ų15949.6 Ų49.660%0.628%0.282SS*.  trans-87.4123.1178.2-66.9-173.9-176.1173.84.2110.8Y316Y316-R318 PolarHBondContact O-N 3.38Å
319F71.5Confident77.8Confident44 Ų4450.8 Ų50.819%0.19329%0.289CS..  trans-100.5111.6159.9-177.7-116.3000108.1C313 Y315 E321 P328 P330C313-F319 HydrophobicContact CB-CE2 3.75Å; C313-F319 HydrophobicContact CB-CZ 4.14Å; Y315-F319 HydrophobicContact CD1-CB 4.12Å; Y315-F319 HydrophobicContact CD1-CD2 4.24Å; Y315-F319 HydrophobicContact CD1-CG 4.28Å; Y315-F319 HydrophobicContact CD2-CB 3.68Å; Y315-F319 HydrophobicContact CE1-CB 3.93Å; Y315-F319 HydrophobicContact CE1-CG 4.25Å; Y315-F319 HydrophobicContact CE2-CB 3.5Å; Y315-F319 VanDerWaalsContact CE2-CB 3.5Å; Y315-F319 HydrophobicContact CG-CB 4Å; Y315-F319 HydrophobicContact CG-CD2 4.29Å; Y315-F319 HydrophobicContact CG-CG 4.45Å; F319-E321 VanDerWaalsContact C-N 3.3Å; F319-E321 HydrophobicContact CD1-CG 3.58Å; F319-E321 HydrophobicContact CE1-CG 3.87Å; F319-E321 PolarHBondContact O-N 2.91Å; F319-P328 HydrophobicContact CZ-CG 4.38Å; F319-P330 HydrophobicContact CD1-CB 3.83Å; F319-P330 HydrophobicContact CE1-CB 3.98Å; F319-P330 HydrophobicContact CG-CB 4.48Å
320D65.6Low77.7Confident80 Ų8049.5 Ų49.543%0.42828%0.28SS..  trans-71.886.4176.4-60.2-57.8000109.4I322D320-I322 VanDerWaalsContact C-N 3.35Å; D320-I322 PolarHBondContact O-N 3.09Å
321E60.8Low77.7Confident81 Ų8147.2 Ų47.238%0.37927%0.268SS..  trans-6291.4175.9-75.1-166165.500110.3K93 F319 S323K93-E321 IonicContact NZ-OE1 2.59Å; K93-E321 PolarHBondContact NZ-OE1 2.86Å; K93-E321 IonicContact NZ-OE2 3.06Å; K93-E321 PolarHBondContact NZ-OE2 2.86Å; F319-E321 VanDerWaalsContact C-N 3.3Å; F319-E321 HydrophobicContact CD1-CG 3.58Å; F319-E321 HydrophobicContact CE1-CG 3.87Å; F319-E321 PolarHBondContact O-N 2.91Å; E321-S323 PolarHBondContact O-N 3.29Å
322I53Low77.4Confident135 Ų13550.2 Ų50.269%0.69228%0.282SS*.  trans-54.8115.6153.2-55.5179.6000105.6D320 S324D320-I322 VanDerWaalsContact C-N 3.35Å; D320-I322 PolarHBondContact O-N 3.09Å; I322-S324 PolarHBondContact O-N 3.07Å
323S52.2Low76.7Confident90 Ų9050.2 Ų50.263%0.62928%0.282SS*.  trans-74.954179.2-68.60000111.7E321E321-S323 PolarHBondContact O-N 3.29Å
324S60.4Low76.1Confident45 Ų4554.7 Ų54.732%0.31530%0.303SS..  trans-107.5134.7178.5171.80000111.1Q94 I322 A326 A327Q94-S324 WeakPolarHBondContact CB-O 3.48Å; Q94-S324 WeakPolarHBondContact CG-O 3.49Å; I322-S324 PolarHBondContact O-N 3.07Å; S324-A326 PolarHBondContact O-N 3.24Å; S324-A326 PolarHBondContact OG-N 2.89Å; S324-A327 VanDerWaalsContact O-CB 3.22Å; S324-A327 WeakPolarHBondContact O-CB 3.49Å; S324-A327 PolarHBondContact O-N 3Å
325P55.1Low75.1Confident62 Ų6258.4 Ų58.440%0.40332%0.322SS..THydrogen-bonded Turntrans-66.5-2.4178.227.5-34.6000114.3Q94 R95 N310Q94-P325 HydrophobicContact CB-CB 4.28Å; Q94-P325 VanDerWaalsContact CB-N 3.32Å; R95-P325 HydrophobicContact CG-CB 4.15Å; R95-P325 HydrophobicContact CG-CG 4.43Å; N310-P325 PolarHBondContact ND2-O 2.69Å
326A70.2Confident74.1Confident67 Ų6757.8 Ų57.855%0.55432%0.321SS*.THydrogen-bonded Turntrans-86.5-0.4167.200000113.7N310 S324N310-A326 WeakPolarHBondContact CB-O 3.42Å; N310-A326 WeakPolarHBondContact ND2-CA 3.46Å; N310-A326 PolarHBondContact ND2-O 2.87Å; S324-A326 PolarHBondContact O-N 3.24Å; S324-A326 PolarHBondContact OG-N 2.89Å
327A78.9Confident72.9Confident16 Ų1665.2 Ų65.213%0.13236%0.357CS..PPolyproline II helixtrans-69.3141.7-178.200000112.7N308 N310 S324N308-A327 PolarHBondContact ND2-O 2.77Å; N308-A327 VanDerWaalsContact ND2-O 3.11Å; N310-A327 PolarHBondContact ND2-O 2.7Å; S324-A327 VanDerWaalsContact O-CB 3.22Å; S324-A327 WeakPolarHBondContact O-CB 3.49Å; S324-A327 PolarHBondContact O-N 3Å
328P86.1Confident72.3Confident20 Ų2070.8 Ų70.813%0.1337%0.373CS..PPolyproline II helixtrans-75.9161.7175.434-37.4000112.1C313 F319 P330 I359C313-P328 HydrophobicContact CB-CG 4.07Å; F319-P328 HydrophobicContact CZ-CG 4.38Å; P328-P330 WeakPolarHBondContact O-CD 3.28Å; P328-I359 HydrophobicContact CB-CG2 4.41Å; P328-I359 HydrophobicContact CG-CG2 4.16Å
329D84.9Confident72.3Confident38 Ų3864.6 Ų64.620%0.20335%0.352CS..EExtended strand (participates in β ladder)trans-66.5123.4175-79.6-9.6000111.4N308 G311 C312 C313 I331N308-D329 HydrophobicContact CB-CB 4.3Å; N308-D329 WeakPolarHBondContact CB-OD1 3.39Å; N308-D329 VanDerWaalsContact CB-OD2 3.22Å; N308-D329 WeakPolarHBondContact CB-OD2 3.32Å; N308-D329 PolarHBondContact ND2-N 2.69Å; N308-D329 PolarHBondContact ND2-OD1 3.11Å; G311-D329 PolarHBondContact O-N 3.04Å; C312-D329 CarbonylContact C-O 3.35Å; C312-D329 WeakPolarHBondContact CA-O 3.42Å; C312-D329 HydrophobicContact CB-CB 4.22Å; C312-D329 VanDerWaalsContact CB-O 3.27Å; C312-D329 WeakPolarHBondContact CB-O 3.45Å; C313-D329 PolarHBondContact N-O 3.49Å; D329-I331 PolarHBondContact O-N 3.1Å
330P88.3Confident72.4Confident45 Ų4565.5 Ų65.529%0.29236%0.363SS..EExtended strand (participates in β ladder)trans-75.4119.9179.627.3-32.7000112.4Y315 F319 P328Y315-P330 HydrophobicContact CE1-CB 3.65Å; F319-P330 HydrophobicContact CD1-CB 3.83Å; F319-P330 HydrophobicContact CE1-CB 3.98Å; F319-P330 HydrophobicContact CG-CB 4.48Å; P328-P330 WeakPolarHBondContact O-CD 3.28Å
331I88.7Confident72.9Confident5 Ų568.1 Ų68.13%0.02638%0.382CS..EExtended strand (participates in β ladder)trans-116.192.1176-51.5179.8000109.5V292 I294 T304 V306 C312 C313 I314 Y315 D329V292-I331 HydrophobicContact CB-CD1 4.22Å; V292-I331 HydrophobicContact CG1-CD1 4.15Å; V292-I331 HydrophobicContact CG2-CD1 4.17Å; I294-I331 HydrophobicContact CD1-CG2 3.67Å; T304-I331 HydrophobicContact CG2-CD1 3.97Å; V306-I331 HydrophobicContact CG2-CD1 3.85Å; C312-I331 HydrophobicContact CB-CD1 3.56Å; C312-I331 HydrophobicContact CB-CG1 4Å; C313-I331 WeakPolarHBondContact O-CA 3.23Å; C313-I331 PolarHBondContact O-N 3.29Å; I314-I331 WeakPolarHBondContact CA-O 3.37Å; I314-I331 HydrophobicContact CG1-CB 4.39Å; Y315-I331 PolarHBondContact N-O 2.84Å; Y315-I331 VanDerWaalsContact N-O 3.16Å; D329-I331 PolarHBondContact O-N 3.1Å
332E86.9Confident73.8Confident62 Ų6267.7 Ų67.729%0.2939%0.392SS..EExtended strand (participates in β ladder)trans-66129.9171.8-172.1-175.4-139.100111.5R302 Y315 Q334R302-E332 VanDerWaalsContact NH1-N 3.2Å; R302-E332 PolarHBondContact NH1-O 3.5Å; Y315-E332 HydrophobicContact CE1-CB 4.08Å; Y315-E332 HydrophobicContact CE2-CB 4.24Å; Y315-E332 HydrophobicContact CE2-CG 4.3Å; Y315-E332 CarbonylContact O-C 3.45Å; Y315-E332 WeakPolarHBondContact O-CA 3.49Å; E332-Q334 HydrophobicContact CG-CG 4.23Å; E332-Q334 PolarHBondContact OE2-NE2 2.95Å; E332-Q334 VanDerWaalsContact OE2-NE2 3.12Å
333A79.4Confident75.3Confident0 Ų062.3 Ų62.30%037%0.365CS..  trans-83.6101.4168.900000109.4I294 Y315 Y316 L351 M354I294-A333 HydrophobicContact CD1-CB 4.14Å; I294-A333 HydrophobicContact CG2-CB 4.12Å; Y315-A333 PolarHBondContact O-N 2.87Å; Y316-A333 WeakPolarHBondContact CD2-O 3.47Å; A333-L351 HydrophobicContact CB-CD2 4.07Å; A333-M354 HydrophobicContact CB-CE 4.29Å
334Q83Confident76.9Confident95 Ų9562.5 Ų62.544%0.44435%0.354SS..PPolyproline II helixtrans-82147.4-167.1-59.5-170.3-40.400112.9H296 I301 E332 P336H296-Q334 PolarHBondContact CE1-O 2.82Å; H296-Q334 VanDerWaalsContact CE1-O 3.29Å; I301-Q334 HydrophobicContact CG2-CB 3.96Å; I301-Q334 VanDerWaalsContact CG2-O 3.28Å; I301-Q334 WeakPolarHBondContact CG2-O 3.34Å; E332-Q334 HydrophobicContact CG-CG 4.23Å; E332-Q334 PolarHBondContact OE2-NE2 2.95Å; E332-Q334 VanDerWaalsContact OE2-NE2 3.12Å; Q334-P336 WeakPolarHBondContact O-CD 3.38Å
335I73.3Confident78.1Confident78 Ų7863.5 Ų63.540%0.437%0.365SS..PPolyproline II helixtrans-62123.1174.6-45.8177.4000109Y316Y316-I335 HydrophobicContact CE2-CD1 4.45Å; Y316-I335 HydrophobicContact CE2-CG1 3.83Å; Y316-I335 WeakPolarHBondContact OH-CD1 3.21Å
336P72.3Confident79.6Confident16 Ų1665.3 Ų65.310%0.10437%0.365CS..PPolyproline II helixtrans-75.4135176.6-3.820.8000110.3H296 V299 I301 Q334 Q338 I339H296-P336 HydrophobicContact CB-CG 3.78Å; H296-P336 WeakPolarHBondContact ND1-CD 3.36Å; H296-P336 VanDerWaalsContact ND1-CG 3.3Å; H296-P336 WeakPolarHBondContact ND1-CG 3.42Å; V299-P336 HydrophobicContact CG1-CB 4.34Å; I301-P336 HydrophobicContact CD1-CB 3.59Å; I301-P336 HydrophobicContact CD1-CG 3.47Å; I301-P336 VanDerWaalsContact CD1-CG 3.47Å; I301-P336 HydrophobicContact CG1-CG 4.32Å; Q334-P336 WeakPolarHBondContact O-CD 3.38Å; P336-Q338 PolarHBondContact O-N 3.42Å; P336-Q338 VanDerWaalsContact O-N 3.08Å; P336-I339 HydrophobicContact CB-CD1 4.4Å; P336-I339 HydrophobicContact CB-CG1 3.96Å; P336-I339 HydrophobicContact CG-CD1 3.73Å; P336-I339 HydrophobicContact CG-CG1 3.72Å
337H65.9Low80.5Confident194 Ų19462.1 Ų62.190%0.89834%0.338SS*.THydrogen-bonded Turntrans-72.35.8172.6-54.4-40.7000114
338Q69.4Low81Confident154 Ų15463 Ų6372%0.7234%0.34SS*.THydrogen-bonded Turntrans-14143.7-166.6-64.4-175.1-21.300112.6P336P336-Q338 PolarHBondContact O-N 3.42Å; P336-Q338 VanDerWaalsContact O-N 3.08Å
339I72.6Confident81.1Confident30 Ų3065.8 Ų65.815%0.15435%0.354CS..  trans-94.8148.2165.4-46.1165.7000108.7L297 P336 N343 K344 V347L297-I339 HydrophobicContact CD1-CG2 4.08Å; P336-I339 HydrophobicContact CB-CD1 4.4Å; P336-I339 HydrophobicContact CB-CG1 3.96Å; P336-I339 HydrophobicContact CG-CD1 3.73Å; P336-I339 HydrophobicContact CG-CG1 3.72Å; I339-N343 HydrophobicContact CG2-CB 3.72Å; I339-K344 HydrophobicContact CG2-CB 4.47Å; I339-V347 HydrophobicContact CD1-CB 3.8Å; I339-V347 HydrophobicContact CD1-CG1 3.62Å; I339-V347 HydrophobicContact CD1-CG2 3.99Å; I339-V347 HydrophobicContact CG2-CG2 4.49Å
340S73.6Confident81.4Confident62 Ų6264.6 Ų64.643%0.43435%0.348SS..  trans-59.6151.4164.461.10000111.3A342 N343 K344S340-A342 VanDerWaalsContact C-N 3.26Å; S340-A342 PolarHBondContact O-N 2.92Å; S340-N343 PolarHBondContact O-N 2.76Å; S340-N343 WeakPolarHBondContact OG-CB 3.07Å; S340-N343 PolarHBondContact OG-N 2.8Å; S340-N343 PolarHBondContact OG-OD1 2.9Å; S340-K344 WeakPolarHBondContact O-CB 3.46Å; S340-K344 PolarHBondContact O-N 3.15Å
341V76.1Confident81.5Confident136 Ų13662.5 Ų62.582%0.82433%0.334SS*.Hα-helixtrans-60.2-38.2-179.9-178.70000111.5K344V341-K344 PolarHBondContact O-N 2.79Å
342A79.4Confident81.5Confident71 Ų7166.9 Ų66.959%0.58736%0.357SS*.Hα-helixtrans-60.3-50.9176.500000112.6S340 K344S340-A342 VanDerWaalsContact C-N 3.26Å; S340-A342 PolarHBondContact O-N 2.92Å; A342-K344 VanDerWaalsContact C-N 3.31Å; A342-K344 PolarHBondContact O-N 3.37Å
343N84.4Confident81.6Confident22 Ų2266.5 Ų66.512%0.11836%0.357CS..Hα-helixtrans-78.2-18.4-175.7-6430.1000112L297 I339 S340 A345 Y346 V347 L445 Q552L297-N343 HydrophobicContact CD1-CB 4.02Å; I339-N343 HydrophobicContact CG2-CB 3.72Å; S340-N343 PolarHBondContact O-N 2.76Å; S340-N343 WeakPolarHBondContact OG-CB 3.07Å; S340-N343 PolarHBondContact OG-N 2.8Å; S340-N343 PolarHBondContact OG-OD1 2.9Å; N343-A345 PolarHBondContact O-N 3.49Å; N343-Y346 PolarHBondContact O-N 2.9Å; N343-V347 WeakPolarHBondContact O-CG2 3.35Å; N343-V347 PolarHBondContact O-N 3.16Å; N343-L445 HydrophobicContact CB-CD2 3.87Å; N343-Q552 PolarHBondContact ND2-OE1 3.47Å
344K86.1Confident82.1Confident95 Ų9566.5 Ų66.541%0.41336%0.357SS..Hα-helixtrans-58-47.5-178.7-173.1-175.3-179.1-62.30112.5I339 S340 V341 A342 Y346 V347 D348I339-K344 HydrophobicContact CG2-CB 4.47Å; S340-K344 WeakPolarHBondContact O-CB 3.46Å; S340-K344 PolarHBondContact O-N 3.15Å; V341-K344 PolarHBondContact O-N 2.79Å; A342-K344 VanDerWaalsContact C-N 3.31Å; A342-K344 PolarHBondContact O-N 3.37Å; K344-Y346 VanDerWaalsContact C-N 3.26Å; K344-Y346 PolarHBondContact O-N 3.17Å; K344-V347 PolarHBondContact O-N 2.88Å; K344-D348 IonicContact NZ-OD1 2.74Å; K344-D348 IonicContact NZ-OD2 3.15Å; K344-D348 PolarHBondContact NZ-OD2 2.96Å; K344-D348 WeakPolarHBondContact O-CB 3.34Å; K344-D348 PolarHBondContact O-N 2.85Å
345A85.3Confident82.2Confident65 Ų6565 Ų6554%0.53736%0.355SS..Hα-helixtrans-59.4-38.2-17800000112.4N343 L349N343-A345 PolarHBondContact O-N 3.49Å; A345-L349 WeakPolarHBondContact O-CB 3.45Å; A345-L349 PolarHBondContact O-N 3.22Å
346Y86.9Confident82.8Confident101 Ų10166.4 Ų66.440%0.39636%0.355SS..Hα-helixtrans-75.8-37.3177.2-59.5-63.1000113.1N343 K344 L349 L350 I554N343-Y346 PolarHBondContact O-N 2.9Å; K344-Y346 VanDerWaalsContact C-N 3.26Å; K344-Y346 PolarHBondContact O-N 3.17Å; Y346-L349 PolarHBondContact O-N 2.81Å; Y346-L350 VanDerWaalsContact O-CG 3.29Å; Y346-L350 WeakPolarHBondContact O-CG 3.16Å; Y346-L350 PolarHBondContact O-N 3.11Å; Y346-I554 HydrophobicContact CD1-CD1 3.35Å; Y346-I554 HydrophobicContact CD1-CG1 4.31Å; Y346-I554 HydrophobicContact CD2-CD1 3.89Å; Y346-I554 HydrophobicContact CD2-CG1 4.48Å; Y346-I554 HydrophobicContact CE1-CD1 3.82Å; Y346-I554 HydrophobicContact CE1-CG1 4.33Å; Y346-I554 HydrophobicContact CE2-CD1 4.3Å; Y346-I554 HydrophobicContact CE2-CG1 4.5Å; Y346-I554 HydrophobicContact CG-CD1 3.37Å; Y346-I554 HydrophobicContact CG-CG1 4.37Å
347V89.3Confident83.8Confident0 Ų065.6 Ų65.60%035%0.35CS..Hα-helixtrans-63.7-45173171.70000110.8I339 N343 K344 L349 L350 L351 L445 V446I339-V347 HydrophobicContact CD1-CB 3.8Å; I339-V347 HydrophobicContact CD1-CG1 3.62Å; I339-V347 HydrophobicContact CD1-CG2 3.99Å; I339-V347 HydrophobicContact CG2-CG2 4.49Å; N343-V347 WeakPolarHBondContact O-CG2 3.35Å; N343-V347 PolarHBondContact O-N 3.16Å; K344-V347 PolarHBondContact O-N 2.88Å; V347-L349 PolarHBondContact O-N 2.94Å; V347-L350 PolarHBondContact O-N 3.29Å; V347-L351 HydrophobicContact CG1-CD1 3.74Å; V347-L351 HydrophobicContact CG1-CG 4.22Å; V347-L351 WeakPolarHBondContact O-CB 3.42Å; V347-L351 VanDerWaalsContact O-CG 3.25Å; V347-L351 WeakPolarHBondContact O-CG 3.31Å; V347-L351 PolarHBondContact O-N 3.36Å; V347-L445 HydrophobicContact CG2-CB 3.98Å; V347-L445 HydrophobicContact CG2-CD2 3.86Å; V347-V446 HydrophobicContact CG1-CG2 3.88Å; V347-V446 HydrophobicContact CG2-CG2 4.5Å
348D88.4Confident85.2Confident33 Ų3356.4 Ų56.418%0.17631%0.307CS..Hα-helixtrans-59.5-47.2176.1-65.1-20.1000110.6K344 L350 L351 D352K344-D348 IonicContact NZ-OD1 2.74Å; K344-D348 IonicContact NZ-OD2 3.15Å; K344-D348 PolarHBondContact NZ-OD2 2.96Å; K344-D348 WeakPolarHBondContact O-CB 3.34Å; K344-D348 PolarHBondContact O-N 2.85Å; D348-L350 VanDerWaalsContact C-N 3.33Å; D348-L350 PolarHBondContact O-N 3.49Å; D348-L351 PolarHBondContact O-N 2.81Å; D348-D352 PolarHBondContact O-N 3.36Å
349L88.8Confident86.4Confident79 Ų7951 Ų5141%0.41428%0.282SS..Hα-helixtrans-56.9-41.5175.817665.1000113.3A345 Y346 V347 N353A345-L349 WeakPolarHBondContact O-CB 3.45Å; A345-L349 PolarHBondContact O-N 3.22Å; Y346-L349 PolarHBondContact O-N 2.81Å; V347-L349 PolarHBondContact O-N 2.94Å; L349-N353 PolarHBondContact O-N 2.69Å; L349-N353 PolarHBondContact O-ND2 2.36Å
350L90.7Very high87.6Confident14 Ų1449.5 Ų49.57%0.07328%0.275CS..Hα-helixtrans-68.3-42.6177-71.8173.2000111.6Y346 V347 D348 N353 M354 L445 V446Y346-L350 VanDerWaalsContact O-CG 3.29Å; Y346-L350 WeakPolarHBondContact O-CG 3.16Å; Y346-L350 PolarHBondContact O-N 3.11Å; V347-L350 PolarHBondContact O-N 3.29Å; D348-L350 VanDerWaalsContact C-N 3.33Å; D348-L350 PolarHBondContact O-N 3.49Å; L350-N353 CarbonylContact O-C 3.28Å; L350-N353 PolarHBondContact O-N 2.85Å; L350-M354 WeakPolarHBondContact O-CG 3.39Å; L350-M354 PolarHBondContact O-N 3.15Å; L350-M354 VanDerWaalsContact O-N 3.16Å; L350-L445 HydrophobicContact CD1-CB 3.56Å; L350-L445 HydrophobicContact CD1-CD1 3.98Å; L350-L445 HydrophobicContact CD1-CG 4.44Å; L350-V446 HydrophobicContact CB-CG2 4.1Å; L350-V446 HydrophobicContact CD1-CB 4.49Å; L350-V446 HydrophobicContact CD1-CG2 4.22Å
351L91Very high88.7Confident0 Ų047.6 Ų47.60%026%0.261CS..Hα-helixtrans-64.4-46.5177.8-72.1173000111.5Y316 A333 V347 D348 N353 M354 V446Y316-L351 WeakPolarHBondContact CB-O 3.36Å; Y316-L351 HydrophobicContact CD1-CB 3.69Å; Y316-L351 WeakPolarHBondContact CD1-O 3.22Å; Y316-L351 HydrophobicContact CD2-CB 3.94Å; Y316-L351 HydrophobicContact CD2-CD1 4.28Å; Y316-L351 HydrophobicContact CD2-CD2 3.94Å; Y316-L351 HydrophobicContact CD2-CG 4.27Å; Y316-L351 HydrophobicContact CE1-CB 3.8Å; Y316-L351 HydrophobicContact CE2-CB 4.06Å; Y316-L351 HydrophobicContact CE2-CD1 4.04Å; Y316-L351 HydrophobicContact CE2-CG 4.44Å; Y316-L351 HydrophobicContact CG-CB 3.7Å; Y316-L351 HydrophobicContact CG-CD2 4.11Å; Y316-L351 HydrophobicContact CG-CG 4.42Å; A333-L351 HydrophobicContact CB-CD2 4.07Å; V347-L351 HydrophobicContact CG1-CD1 3.74Å; V347-L351 HydrophobicContact CG1-CG 4.22Å; V347-L351 WeakPolarHBondContact O-CB 3.42Å; V347-L351 VanDerWaalsContact O-CG 3.25Å; V347-L351 WeakPolarHBondContact O-CG 3.31Å; V347-L351 PolarHBondContact O-N 3.36Å; D348-L351 PolarHBondContact O-N 2.81Å; L351-N353 PolarHBondContact O-N 3.33Å; L351-N353 VanDerWaalsContact O-N 3.16Å; L351-M354 HydrophobicContact CD2-SD 4.29Å; L351-M354 WeakPolarHBondContact O-CA 3.21Å; L351-M354 WeakPolarHBondContact O-CB 3.49Å; L351-M354 PolarHBondContact O-N 2.74Å; L351-V446 HydrophobicContact CD2-CG1 4.35Å; L351-V446 HydrophobicContact CD2-CG2 4.37Å; L351-V446 HydrophobicContact CG-CG2 4.32Å
352D88.9Confident89.7Confident97 Ų9742 Ų4252%0.51923%0.227SC..Hα-helixtrans-59.2-28.5175.8-73.9-21.7000112.1Y316 D348 V355Y316-D352 WeakPolarHBondContact CE1-OD1 3.19Å; D348-D352 PolarHBondContact O-N 3.36Å; D352-V355 WeakPolarHBondContact O-CG2 3.38Å
353N89.6Confident90.5Very high54 Ų5441.7 Ų41.729%0.28922%0.215SC..THydrogen-bonded Turntrans-86.7-2.4173.1-78-81.9000114.6L349 L350 L351 C373 K374 C375L349-N353 PolarHBondContact O-N 2.69Å; L349-N353 PolarHBondContact O-ND2 2.36Å; L350-N353 CarbonylContact O-C 3.28Å; L350-N353 PolarHBondContact O-N 2.85Å; L351-N353 PolarHBondContact O-N 3.33Å; L351-N353 VanDerWaalsContact O-N 3.16Å; N353-C373 WeakPolarHBondContact O-CB 3.18Å; N353-K374 HydrophobicContact CB-CB 4.48Å; N353-K374 PolarHBondContact O-N 2.82Å; N353-K374 VanDerWaalsContact O-N 3.12Å; N353-C375 HydrophobicContact CB-CB 3.91Å; N353-C375 WeakPolarHBondContact O-CB 3.36Å; N353-C375 PolarHBondContact O-N 3Å
354M89.9Confident90.9Very high0 Ų047.8 Ų47.80%024%0.242CC..THydrogen-bonded Turntrans-91.89.4174.3-76.9175.662.800114.5I314 Y316 A333 L350 L351 G357 C375 F431 V446I314-M354 HydrophobicContact CG2-CE 4.27Å; Y316-M354 PolarHBondContact N-O 2.74Å; A333-M354 HydrophobicContact CB-CE 4.29Å; L350-M354 WeakPolarHBondContact O-CG 3.39Å; L350-M354 PolarHBondContact O-N 3.15Å; L350-M354 VanDerWaalsContact O-N 3.16Å; L351-M354 HydrophobicContact CD2-SD 4.29Å; L351-M354 WeakPolarHBondContact O-CA 3.21Å; L351-M354 WeakPolarHBondContact O-CB 3.49Å; L351-M354 PolarHBondContact O-N 2.74Å; M354-G357 VanDerWaalsContact O-CA 3.3Å; M354-G357 WeakPolarHBondContact O-CA 3.45Å; M354-G357 PolarHBondContact O-N 3.47Å; M354-C375 HydrophobicContact CG-CB 4.09Å; M354-F431 HydrophobicContact CE-CD1 3.71Å; M354-F431 HydrophobicContact CE-CD2 4.18Å; M354-F431 HydrophobicContact CE-CE1 3.67Å; M354-F431 HydrophobicContact CE-CE2 4.15Å; M354-F431 HydrophobicContact CE-CG 3.98Å; M354-F431 HydrophobicContact CE-CZ 3.9Å; M354-F431 HydrophobicContact CG-CD1 4.02Å; M354-F431 HydrophobicContact SD-CB 3.87Å; M354-F431 HydrophobicContact SD-CD1 3.67Å; M354-F431 HydrophobicContact SD-CD2 4.26Å; M354-F431 HydrophobicContact SD-CE1 4.27Å; M354-F431 HydrophobicContact SD-CG 3.67Å; M354-V446 HydrophobicContact CE-CG1 4.26Å; M354-V446 HydrophobicContact SD-CG1 3.7Å
355V84.6Confident91.3Very high65 Ų6543.3 Ų43.339%0.39422%0.223SC..THydrogen-bonded Turntrans-52.6141.8170.1171.80000111.3D352 G357 C373D352-V355 WeakPolarHBondContact O-CG2 3.38Å; V355-G357 PolarHBondContact O-N 2.82Å; V355-C373 VanDerWaalsContact O-CA 3.28Å; V355-C373 WeakPolarHBondContact O-CA 3.4Å; V355-C373 WeakPolarHBondContact O-CB 3.47Å
356R86.4Confident91.9Very high106 Ų10640.3 Ų40.340%0.420%0.198SC..THydrogen-bonded Turntrans60.9-21.6-167.4-63.8171.166.2-173.31.3116.1C313 I372C313-R356 PolarHBondContact SG-O 2.8Å; C313-R356 VanDerWaalsContact SG-O 3.38Å; R356-I372 HydrophobicContact CB-CB 4.22Å; R356-I372 HydrophobicContact CB-CG2 3.67Å; R356-I372 HydrophobicContact CG-CG2 4.49Å
357G92.1Very high92.5Very high0 Ų035.5 Ų35.50%018%0.179CC..  trans75.9-159.3164.400000117.1I314 M354 V355 I372 C373I314-G357 CarbonylContact O-C 3.59Å; I314-G357 WeakPolarHBondContact O-CA 3.24Å; M354-G357 VanDerWaalsContact O-CA 3.3Å; M354-G357 WeakPolarHBondContact O-CA 3.45Å; M354-G357 PolarHBondContact O-N 3.47Å; V355-G357 PolarHBondContact O-N 2.82Å; G357-I372 WeakPolarHBondContact O-CA 3.48Å; G357-I372 WeakPolarHBondContact O-CB 3.35Å; G357-I372 PolarHBondContact O-N 3.32Å; G357-C373 PolarHBondContact O-N 2.87Å
358I95.2Very high92.9Very high0 Ų037.9 Ų37.90%019%0.188CC..EExtended strand (participates in β ladder)trans-123.5124.2174.6-176.9164.9000109.5C313 I314 L360 A369 E370 V377 L394 L429 F431C313-I358 WeakPolarHBondContact CA-O 3.43Å; I314-I358 HydrophobicContact CB-CG2 3.89Å; I314-I358 PolarHBondContact N-O 2.67Å; I314-I358 PolarHBondContact O-N 2.83Å; I358-L360 HydrophobicContact CG1-CD2 4.35Å; I358-A369 HydrophobicContact CD1-CB 4.11Å; I358-A369 HydrophobicContact CG1-CB 4.36Å; I358-E370 WeakPolarHBondContact CA-O 3.25Å; I358-V377 HydrophobicContact CD1-CB 4.36Å; I358-V377 HydrophobicContact CD1-CG1 3.89Å; I358-V377 HydrophobicContact CD1-CG2 4.25Å; I358-L394 HydrophobicContact CD1-CD1 3.54Å; I358-L429 HydrophobicContact CD1-CD1 4.39Å; I358-F431 HydrophobicContact CB-CE1 4.5Å; I358-F431 HydrophobicContact CG2-CE1 3.69Å; I358-F431 HydrophobicContact CG2-CZ 3.77Å
359I95.4Very high93.3Very high40 Ų4036.3 Ų36.321%0.20518%0.18CC..EExtended strand (participates in β ladder)trans-89.9125.2-179-53.4176000108.4C313 P328 T361 A369 E370 I372C313-I359 HydrophobicContact CB-CG1 4.3Å; P328-I359 HydrophobicContact CB-CG2 4.41Å; P328-I359 HydrophobicContact CG-CG2 4.16Å; I359-T361 HydrophobicContact CG2-CG2 3.94Å; I359-A369 CarbonylContact O-C 3.48Å; I359-A369 WeakPolarHBondContact O-CA 3.35Å; I359-E370 HydrophobicContact CB-CB 4.46Å; I359-E370 PolarHBondContact N-O 3.33Å; I359-E370 PolarHBondContact O-N 2.77Å; I359-I372 HydrophobicContact CD1-CG1 4.04Å; I359-I372 HydrophobicContact CG1-CG1 4.22Å
360L97.6Very high93.7Very high0 Ų035.3 Ų35.30%017%0.173CC..EExtended strand (participates in β ladder)trans-110.3119.3176.5-57.2176.4000108.8L290 G311 C312 I314 I358 Y368 A369 I402 L429 V450L290-L360 HydrophobicContact CD1-CB 4.32Å; G311-L360 CarbonylContact C-O 3.5Å; G311-L360 VanDerWaalsContact CA-O 3.26Å; G311-L360 WeakPolarHBondContact CA-O 3.38Å; C312-L360 PolarHBondContact N-O 3.35Å; C312-L360 PolarHBondContact O-N 3.02Å; I314-L360 HydrophobicContact CD1-CD1 3.7Å; I314-L360 HydrophobicContact CG1-CD1 4.24Å; I358-L360 HydrophobicContact CG1-CD2 4.35Å; L360-Y368 WeakPolarHBondContact CA-O 3.38Å; L360-A369 HydrophobicContact CD2-CB 3.71Å; L360-I402 HydrophobicContact CD2-CD1 4.15Å; L360-L429 HydrophobicContact CD1-CD1 4.25Å; L360-L429 HydrophobicContact CD2-CD1 3.96Å; L360-V450 HydrophobicContact CD1-CG1 4.03Å; L360-V450 HydrophobicContact CD1-CG2 3.72Å
361T96.9Very high93.9Very high22 Ų2235.8 Ų35.814%0.13517%0.174CC..EExtended strand (participates in β ladder)trans-124.7160-178.357.80000110.1I359 Y368 R399I359-T361 HydrophobicContact CG2-CG2 3.94Å; T361-Y368 PolarHBondContact N-O 3.42Å; T361-Y368 PolarHBondContact O-N 2.97Å; T361-Y368 PolarHBondContact OG1-O 2.96Å; T361-R399 PolarHBondContact OG1-NE 3.4Å; T361-R399 PolarHBondContact OG1-NH2 3.04Å
362V97.1Very high94Very high19 Ų1936.5 Ų36.512%0.11518%0.177CC..EExtended strand (participates in β ladder)trans-130.4133.6-177.5-166.40000110.4Y287 H288 L290 S366Y287-V362 VanDerWaalsContact O-CG1 3.32Å; Y287-V362 WeakPolarHBondContact O-CG1 3.44Å; H288-V362 HydrophobicContact CB-CB 4.32Å; L290-V362 HydrophobicContact CD1-CG2 3.79Å; L290-V362 HydrophobicContact CD2-CG2 3.62Å; L290-V362 HydrophobicContact CG-CG2 3.71Å; V362-S366 WeakPolarHBondContact CA-O 3.29Å; V362-S366 WeakPolarHBondContact CG1-O 3.27Å
363I95.7Very high94.1Very high63 Ų6331.9 Ų31.932%0.32315%0.153SC..EExtended strand (participates in β ladder)trans-128.1121.1173.4-44.8178.4000107.4G365 S366 Y368I363-G365 PolarHBondContact O-N 3.04Å; I363-G365 VanDerWaalsContact O-N 3.07Å; I363-S366 PolarHBondContact N-O 2.98Å; I363-S366 WeakPolarHBondContact O-CB 3.39Å; I363-S366 PolarHBondContact O-N 3.49Å; I363-Y368 HydrophobicContact CB-CD2 4.37Å; I363-Y368 HydrophobicContact CB-CE2 3.84Å; I363-Y368 HydrophobicContact CD1-CD2 4.15Å; I363-Y368 HydrophobicContact CD1-CE2 3.83Å; I363-Y368 HydrophobicContact CG1-CD2 3.96Å; I363-Y368 HydrophobicContact CG1-CE2 3.81Å
364H93.9Very high94.1Very high151 Ų15132.8 Ų32.870%0.69915%0.154SC*.THydrogen-bonded Turntrans48.535.1-178.3-56-61.2000114.6S366H364-S366 VanDerWaalsContact C-N 3.28Å; H364-S366 PolarHBondContact O-N 3.23Å
365G94.2Very high94Very high0 Ų033 Ų330%016%0.156CC..THydrogen-bonded Turntrans85.9-19.4-177.300000115.3Y287 I363Y287-G365 WeakPolarHBondContact O-CA 3.39Å; I363-G365 PolarHBondContact O-N 3.04Å; I363-G365 VanDerWaalsContact O-N 3.07Å
366S97.7Very high94.4Very high2 Ų230.1 Ų30.11%0.01414%0.139CC..EExtended strand (participates in β ladder)trans-73.5133.6173-68.70000110.5V362 I363 H364 Y368 F403 Y405V362-S366 WeakPolarHBondContact CA-O 3.29Å; V362-S366 WeakPolarHBondContact CG1-O 3.27Å; I363-S366 PolarHBondContact N-O 2.98Å; I363-S366 WeakPolarHBondContact O-CB 3.39Å; I363-S366 PolarHBondContact O-N 3.49Å; H364-S366 VanDerWaalsContact C-N 3.28Å; H364-S366 PolarHBondContact O-N 3.23Å; S366-Y368 WeakPolarHBondContact O-CD2 3.32Å; S366-F403 CarbonylContact C-O 3.6Å; S366-F403 VanDerWaalsContact CA-O 3.31Å; S366-F403 WeakPolarHBondContact CA-O 3.4Å; S366-F403 WeakPolarHBondContact CB-O 3.22Å; S366-Y405 PolarHBondContact OG-N 2.78Å; S366-Y405 VanDerWaalsContact OG-N 3.08Å
367I98.3Very high94.8Very high0 Ų025.1 Ų25.10%012%0.12CC..EExtended strand (participates in β ladder)trans-96.7133.6-175.3-43.8173.2000109.5L290 I402 F403 V450L290-I367 HydrophobicContact CD1-CG2 4.37Å; L290-I367 HydrophobicContact CD2-CD1 3.61Å; L290-I367 HydrophobicContact CD2-CG1 3.8Å; L290-I367 HydrophobicContact CD2-CG2 4.35Å; I367-I402 HydrophobicContact CB-CD1 4.45Å; I367-I402 HydrophobicContact CB-CG1 4.06Å; I367-I402 HydrophobicContact CG2-CD1 3.95Å; I367-I402 HydrophobicContact CG2-CG1 4.03Å; I367-I402 WeakPolarHBondContact O-CG1 3.34Å; I367-I402 PolarHBondContact O-N 3.12Å; I367-F403 HydrophobicContact CB-CB 3.93Å; I367-F403 HydrophobicContact CD1-CB 3.9Å; I367-F403 HydrophobicContact CD1-CD1 4.11Å; I367-F403 HydrophobicContact CD1-CG 4.14Å; I367-F403 HydrophobicContact CG1-CB 3.88Å; I367-F403 HydrophobicContact CG1-CD1 3.92Å; I367-F403 HydrophobicContact CG1-CG 4.24Å; I367-F403 PolarHBondContact N-O 2.83Å; I367-F403 PolarHBondContact O-N 3.35Å; I367-V450 HydrophobicContact CD1-CG1 4.18Å; I367-V450 HydrophobicContact CG2-CG1 4.46Å
368Y98.3Very high95Very high51 Ų5125.6 Ų25.620%0.212%0.122CC..EExtended strand (participates in β ladder)trans-121.3136.5177.9-66.3-107.2000110L360 T361 I363 S366 R399 E400 K401L360-Y368 WeakPolarHBondContact CA-O 3.38Å; T361-Y368 PolarHBondContact N-O 3.42Å; T361-Y368 PolarHBondContact O-N 2.97Å; T361-Y368 PolarHBondContact OG1-O 2.96Å; I363-Y368 HydrophobicContact CB-CD2 4.37Å; I363-Y368 HydrophobicContact CB-CE2 3.84Å; I363-Y368 HydrophobicContact CD1-CD2 4.15Å; I363-Y368 HydrophobicContact CD1-CE2 3.83Å; I363-Y368 HydrophobicContact CG1-CD2 3.96Å; I363-Y368 HydrophobicContact CG1-CE2 3.81Å; S366-Y368 WeakPolarHBondContact O-CD2 3.32Å; Y368-R399 HydrophobicContact CD1-CG 4.42Å; Y368-E400 CarbonylContact C-O 3.47Å; Y368-E400 WeakPolarHBondContact CA-O 3.32Å; Y368-K401 HydrophobicContact CD1-CB 4.01Å; Y368-K401 HydrophobicContact CE1-CB 3.82Å; Y368-K401 HydrophobicContact CE1-CG 4.29Å; Y368-K401 HydrophobicContact CE2-CG 4.38Å; Y368-K401 VanDerWaalsContact OH-CE 3.26Å; Y368-K401 WeakPolarHBondContact OH-CE 3.39Å
369A97.9Very high95.2Very high0 Ų025.6 Ų25.60%012%0.122CC..EExtended strand (participates in β ladder)trans-113.4146.3175.400000111.6I358 I359 L360 L394 R399 E400 I402I358-A369 HydrophobicContact CD1-CB 4.11Å; I358-A369 HydrophobicContact CG1-CB 4.36Å; I359-A369 CarbonylContact O-C 3.48Å; I359-A369 WeakPolarHBondContact O-CA 3.35Å; L360-A369 HydrophobicContact CD2-CB 3.71Å; A369-L394 HydrophobicContact CB-CD1 3.94Å; A369-R399 CarbonylContact O-C 3.45Å; A369-R399 WeakPolarHBondContact O-CA 3.25Å; A369-E400 PolarHBondContact N-O 2.99Å; A369-E400 PolarHBondContact O-N 3.16Å; A369-I402 HydrophobicContact CB-CD1 3.89Å; A369-I402 HydrophobicContact CB-CG1 4.27Å; A369-I402 HydrophobicContact CB-CG2 3.82Å
370E96Very high95.2Very high57 Ų5723.9 Ų23.927%0.26611%0.113SC..EExtended strand (participates in β ladder)trans-135.7110173.1-171.6179.7155.100109.3I358 I359 I372 L398 R399I358-E370 WeakPolarHBondContact CA-O 3.25Å; I359-E370 HydrophobicContact CB-CB 4.46Å; I359-E370 PolarHBondContact N-O 3.33Å; I359-E370 PolarHBondContact O-N 2.77Å; E370-I372 HydrophobicContact CG-CD1 3.93Å; E370-L398 WeakPolarHBondContact CA-O 3.48Å; E370-R399 HydrophobicContact CB-CB 4.33Å; E370-R399 HydrophobicContact CG-CB 4.41Å
371R95Very high95.1Very high24 Ų2427.5 Ų27.59%0.09113%0.132CC..EExtended strand (participates in β ladder)trans-81.6118.6-177.4172.1-169.5164.7-142.7-6.2109.9K374 C375 V377 L394 R396 R397R371-K374 PolarHBondContact NH2-O 3.39Å; R371-C375 PolarHBondContact NE-O 3.01Å; R371-C375 PolarHBondContact NH2-O 3.34Å; R371-V377 HydrophobicContact CG-CG2 4.1Å; R371-L394 HydrophobicContact CB-CB 4.3Å; R371-L394 WeakPolarHBondContact CD-O 3.43Å; R371-L394 PolarHBondContact NH1-O 3.48Å; R371-R396 HydrophobicContact CG-CG 4.48Å; R371-R396 CarbonylContact O-C 3.5Å; R371-R396 VanDerWaalsContact O-CA 3.31Å; R371-R396 WeakPolarHBondContact O-CA 3.44Å; R371-R396 WeakPolarHBondContact O-CG 3.46Å; R371-R397 PolarHBondContact O-N 2.89Å
372I92.4Very high94.8Very high15 Ų1527 Ų278%0.07713%0.129CC..  trans-107.2-32.9177.3-49.7-59.4000111.3R356 G357 I359 E370 R396R356-I372 HydrophobicContact CB-CB 4.22Å; R356-I372 HydrophobicContact CB-CG2 3.67Å; R356-I372 HydrophobicContact CG-CG2 4.49Å; G357-I372 WeakPolarHBondContact O-CA 3.48Å; G357-I372 WeakPolarHBondContact O-CB 3.35Å; G357-I372 PolarHBondContact O-N 3.32Å; I359-I372 HydrophobicContact CD1-CG1 4.04Å; I359-I372 HydrophobicContact CG1-CG1 4.22Å; E370-I372 HydrophobicContact CG-CD1 3.93Å; I372-R396 PolarHBondContact O-NE 3.44Å; I372-R396 PolarHBondContact O-NH2 2.8Å
373C91.3Very high94.3Very high1 Ų127.7 Ų27.71%0.00713%0.133CC..SBendtrans-57.9162.2177.857.80000114.4N353 V355 G357 R396N353-C373 WeakPolarHBondContact O-CB 3.18Å; V355-C373 VanDerWaalsContact O-CA 3.28Å; V355-C373 WeakPolarHBondContact O-CA 3.4Å; V355-C373 WeakPolarHBondContact O-CB 3.47Å; G357-C373 PolarHBondContact O-N 2.87Å; C373-R396 WeakPolarHBondContact O-CD 3.48Å; C373-R396 PolarHBondContact O-NE 2.92Å
374K89.4Confident93.6Very high72 Ų7228.3 Ų28.331%0.31314%0.14SC..SBendtrans-73.8-43.1176.3-67.5-167.4177.8-165.70111N353 R371 A376 L562 D564N353-K374 HydrophobicContact CB-CB 4.48Å; N353-K374 PolarHBondContact O-N 2.82Å; N353-K374 VanDerWaalsContact O-N 3.12Å; R371-K374 PolarHBondContact NH2-O 3.39Å; K374-A376 PolarHBondContact O-N 3.44Å; K374-L562 HydrophobicContact CB-CD1 4.26Å; K374-L562 HydrophobicContact CD-CB 4.19Å; K374-L562 WeakPolarHBondContact CE-O 3.21Å; K374-L562 HydrophobicContact CG-CB 4.35Å; K374-L562 HydrophobicContact CG-CD1 4.37Å; K374-L562 PolarHBondContact NZ-O 3.27Å; K374-D564 VanDerWaalsContact CE-OD2 3.24Å; K374-D564 WeakPolarHBondContact CE-OD2 3.01Å
375C88.7Confident92.8Very high6 Ų623.8 Ų23.84%0.04113%0.134CC..SBendtrans-47.4135.4176.6-165.50000112.2N353 M354 R371 G432N353-C375 HydrophobicContact CB-CB 3.91Å; N353-C375 WeakPolarHBondContact O-CB 3.36Å; N353-C375 PolarHBondContact O-N 3Å; M354-C375 HydrophobicContact CG-CB 4.09Å; R371-C375 PolarHBondContact NE-O 3.01Å; R371-C375 PolarHBondContact NH2-O 3.34Å; C375-G432 PolarHBondContact SG-N 3.05Å
376A92.7Very high92.1Very high4 Ų424.8 Ų24.83%0.03314%0.144CC..  trans-64.2153.5172.300000110.8K374 F378 F431 G432K374-A376 PolarHBondContact O-N 3.44Å; A376-F378 HydrophobicContact CB-CE2 4.04Å; A376-F431 WeakPolarHBondContact O-CA 3.14Å; A376-G432 PolarHBondContact O-N 2.92Å
377V95.7Very high91.6Very high0 Ų029.6 Ų29.60%017%0.166CC..EExtended strand (participates in β ladder)trans-135.1128.2174.9-172.90000110I358 R371 L394 L429 A430 F431I358-V377 HydrophobicContact CD1-CB 4.36Å; I358-V377 HydrophobicContact CD1-CG1 3.89Å; I358-V377 HydrophobicContact CD1-CG2 4.25Å; R371-V377 HydrophobicContact CG-CG2 4.1Å; V377-L394 HydrophobicContact CB-CB 4.4Å; V377-L394 HydrophobicContact CB-CD1 4.11Å; V377-L394 HydrophobicContact CG1-CD1 3.92Å; V377-L394 PolarHBondContact O-N 2.98Å; V377-L429 HydrophobicContact CG1-CB 4.25Å; V377-L429 HydrophobicContact CG1-CD2 4.44Å; V377-A430 WeakPolarHBondContact CA-O 3.11Å; V377-F431 HydrophobicContact CG1-CD1 4.5Å; V377-F431 HydrophobicContact CG1-CE1 4.38Å; V377-F431 HydrophobicContact CG2-CD1 3.69Å; V377-F431 HydrophobicContact CG2-CE1 3.87Å
378F96.5Very high91.2Very high10 Ų1032.2 Ų32.24%0.04418%0.176CC..EExtended strand (participates in β ladder)trans-112.2133.5179-59-94.5000109.7A376 Y380 L390 K393 L429 A430 G432 Q434A376-F378 HydrophobicContact CB-CE2 4.04Å; F378-Y380 HydrophobicContact CB-CD2 4.36Å; F378-Y380 HydrophobicContact CB-CE2 3.64Å; F378-L390 HydrophobicContact CB-CD1 3.99Å; F378-L390 HydrophobicContact CD1-CD1 4.08Å; F378-K393 HydrophobicContact CD1-CB 4.01Å; F378-K393 HydrophobicContact CD1-CG 4.09Å; F378-K393 HydrophobicContact CE1-CB 4.07Å; F378-K393 HydrophobicContact CE1-CD 3.8Å; F378-K393 HydrophobicContact CE1-CG 3.81Å; F378-K393 HydrophobicContact CZ-CD 4.15Å; F378-K393 HydrophobicContact CZ-CG 4.3Å; F378-L429 WeakPolarHBondContact O-CA 3.27Å; F378-A430 HydrophobicContact CB-CB 4.43Å; F378-A430 PolarHBondContact N-O 3.35Å; F378-A430 PolarHBondContact O-N 3.39Å; F378-G432 WeakPolarHBondContact CE2-O 3.39Å; F378-Q434 HydrophobicContact CD1-CB 4.5Å; F378-Q434 HydrophobicContact CD1-CG 4.19Å; F378-Q434 HydrophobicContact CE1-CB 4.21Å; F378-Q434 HydrophobicContact CE1-CG 4.15Å; F378-Q434 HydrophobicContact CE2-CB 4.35Å; F378-Q434 HydrophobicContact CZ-CB 4.13Å
379V97.4Very high90.9Very high1 Ų134.9 Ų34.91%0.00619%0.193CC..EExtended strand (participates in β ladder)trans-103.5126.2-179.8-171.80000109.3A391 K392 L394 I402 V427 V428 L429V379-A391 WeakPolarHBondContact O-CB 2.92Å; V379-A391 PolarHBondContact O-N 3.3Å; V379-K392 HydrophobicContact CB-CG 3.8Å; V379-K392 HydrophobicContact CG2-CD 4.3Å; V379-K392 HydrophobicContact CG2-CG 3.78Å; V379-K392 PolarHBondContact N-O 2.64Å; V379-K392 PolarHBondContact O-N 3.07Å; V379-L394 HydrophobicContact CG2-CD1 3.85Å; V379-L394 HydrophobicContact CG2-CD2 3.82Å; V379-L394 HydrophobicContact CG2-CG 3.69Å; V379-I402 HydrophobicContact CG1-CB 4.15Å; V379-I402 HydrophobicContact CG1-CG2 4.23Å; V379-I402 HydrophobicContact CG2-CG2 3.91Å; V379-V427 HydrophobicContact CG1-CB 4.21Å; V379-V427 HydrophobicContact CG1-CG2 4.41Å; V379-V428 CarbonylContact C-O 3.35Å; V379-V428 WeakPolarHBondContact CA-O 3.28Å; V379-L429 HydrophobicContact CB-CD2 4.42Å; V379-L429 HydrophobicContact CG1-CD2 4.27Å; V379-L429 HydrophobicContact CG2-CD2 3.84Å
380Y96.7Very high90.8Very high4 Ų438.2 Ų38.22%0.01621%0.211CC..EExtended strand (participates in β ladder)trans-118.1140.7177.2-68.7-95.9000111.2F378 I389 L390 V427 V428 A430 Q434 L435F378-Y380 HydrophobicContact CB-CD2 4.36Å; F378-Y380 HydrophobicContact CB-CE2 3.64Å; Y380-I389 CarbonylContact C-O 3.52Å; Y380-I389 VanDerWaalsContact CA-O 3.28Å; Y380-I389 WeakPolarHBondContact CA-O 3.38Å; Y380-L390 HydrophobicContact CD1-CB 4.11Å; Y380-L390 HydrophobicContact CE1-CB 3.67Å; Y380-L390 HydrophobicContact CE1-CD1 4.1Å; Y380-L390 HydrophobicContact CE1-CG 4.45Å; Y380-L390 HydrophobicContact CE2-CD1 4.06Å; Y380-V427 WeakPolarHBondContact O-CA 3.44Å; Y380-V427 WeakPolarHBondContact O-CB 3.34Å; Y380-V428 HydrophobicContact CD2-CG1 4.47Å; Y380-V428 PolarHBondContact N-O 2.97Å; Y380-V428 PolarHBondContact O-N 3.29Å; Y380-A430 HydrophobicContact CD2-CB 4.46Å; Y380-A430 HydrophobicContact CE2-CB 4.13Å; Y380-Q434 WeakPolarHBondContact OH-CG 3.34Å; Y380-L435 HydrophobicContact CD1-CD2 4.46Å; Y380-L435 HydrophobicContact CE1-CB 3.81Å; Y380-L435 HydrophobicContact CE1-CD2 4.39Å; Y380-L435 HydrophobicContact CE2-CB 4.08Å; Y380-L435 WeakPolarHBondContact OH-CB 3.29Å; Y380-L435 PolarHBondContact OH-N 3.14Å; Y380-L435 PolarHBondContact OH-O 2.94Å
381I94.4Very high90.7Very high76 Ų7637.8 Ų37.839%0.3922%0.217SC..EExtended strand (participates in β ladder)trans-103.4123.9170.9-63.5168.5000107.3I389 A391 V427I381-I389 PolarHBondContact N-O 3.26Å; I381-I389 PolarHBondContact O-N 3.43Å; I381-A391 HydrophobicContact CD1-CB 3.81Å; I381-A391 HydrophobicContact CG1-CB 4Å; I381-V427 HydrophobicContact CG1-CG1 4.06Å
382P91.3Very high90.7Very high10 Ų1039.8 Ų39.87%0.06523%0.226CC..EExtended strand (participates in β ladder)trans-63.8150.6173.2-13.826.7000110.9Y388 H424 E426P382-Y388 HydrophobicContact CB-CD1 4.19Å; P382-Y388 HydrophobicContact CB-CE1 3.95Å; P382-Y388 HydrophobicContact CG-CD1 4.22Å; P382-Y388 HydrophobicContact CG-CE1 3.88Å; P382-H424 PolarHBondContact O-CD2 2.94Å; P382-H424 PolarHBondContact O-NE2 2.9Å; P382-E426 WeakPolarHBondContact CD-O 3.42Å; P382-E426 HydrophobicContact CG-CG 4.2Å
383T86.3Confident90.9Very high34 Ų3444.3 Ų44.321%0.20925%0.245CC..  trans-108.5169.9173.170.10000111.2G385 G386 E387 I389 H424 Y486T383-G385 PolarHBondContact O-N 3.42Å; T383-G385 PolarHBondContact OG1-N 3.22Å; T383-G386 PolarHBondContact O-N 2.87Å; T383-E387 WeakPolarHBondContact CB-O 3.38Å; T383-E387 HydrophobicContact CG2-CB 4.46Å; T383-E387 WeakPolarHBondContact CG2-O 3.41Å; T383-E387 PolarHBondContact N-O 3.07Å; T383-E387 WeakPolarHBondContact OG1-CB 3.14Å; T383-E387 PolarHBondContact OG1-N 3.06Å; T383-E387 PolarHBondContact OG1-O 3.04Å; T383-I389 HydrophobicContact CG2-CD1 3.54Å; T383-I389 HydrophobicContact CG2-CG1 3.64Å; T383-H424 VanDerWaalsContact C-NE2 3.26Å; T383-H424 PolarHBondContact O-NE2 2.95Å; T383-Y486 PolarHBondContact O-OH 2.97Å
384V80.7Confident91.1Very high77 Ų7744.4 Ų44.447%0.46725%0.246SC..THydrogen-bonded Turntrans-70.9-16.1178.3-178.10000112.6Y486V384-Y486 WeakPolarHBondContact CA-OH 3.37Å
385G76.9Confident91.4Very high55 Ų5542.1 Ų42.157%0.56724%0.243SC*.THydrogen-bonded Turntrans-90.8-4.417700000115.2T383T383-G385 PolarHBondContact O-N 3.42Å; T383-G385 PolarHBondContact OG1-N 3.22Å
386G80.6Confident91.6Very high21 Ų2144.5 Ų44.522%0.21625%0.251CS..SBendtrans94-17.8-173.100000114.7T383 Y388T383-G386 PolarHBondContact O-N 2.87Å; G386-Y388 WeakPolarHBondContact O-CD2 3.31Å; G386-Y388 WeakPolarHBondContact O-CE2 3.41Å
387E86.2Confident91.7Very high104 Ų10450 Ų5049%0.48627%0.271SS..  trans-63.7154.9170.7-68.2-58.3131.800112T383 G438T383-E387 WeakPolarHBondContact CB-O 3.38Å; T383-E387 HydrophobicContact CG2-CB 4.46Å; T383-E387 WeakPolarHBondContact CG2-O 3.41Å; T383-E387 PolarHBondContact N-O 3.07Å; T383-E387 WeakPolarHBondContact OG1-CB 3.14Å; T383-E387 PolarHBondContact OG1-N 3.06Å; T383-E387 PolarHBondContact OG1-O 3.04Å; E387-G438 PolarHBondContact OE2-N 3.1Å
388Y90.9Very high91.6Very high54 Ų5454.5 Ų54.521%0.21229%0.294CS..EExtended strand (participates in β ladder)trans-119.4120.1179-72-93.3000110.8P382 G386 V428 L435 T441P382-Y388 HydrophobicContact CB-CD1 4.19Å; P382-Y388 HydrophobicContact CB-CE1 3.95Å; P382-Y388 HydrophobicContact CG-CD1 4.22Å; P382-Y388 HydrophobicContact CG-CE1 3.88Å; G386-Y388 WeakPolarHBondContact O-CD2 3.31Å; G386-Y388 WeakPolarHBondContact O-CE2 3.41Å; Y388-V428 HydrophobicContact CD1-CG2 4.29Å; Y388-V428 HydrophobicContact CE1-CB 4.45Å; Y388-V428 HydrophobicContact CE1-CG2 3.73Å; Y388-L435 HydrophobicContact CD2-CD2 4.18Å; Y388-L435 HydrophobicContact CG-CD2 4.15Å; Y388-T441 HydrophobicContact CD1-CG2 4.28Å; Y388-T441 HydrophobicContact CD2-CG2 3.91Å; Y388-T441 HydrophobicContact CE1-CG2 4Å; Y388-T441 HydrophobicContact CE2-CG2 3.6Å; Y388-T441 HydrophobicContact CG-CG2 4.23Å
389I92.4Very high91.6Very high107 Ų10759.6 Ų59.655%0.54931%0.313SS..EExtended strand (participates in β ladder)trans-89.8125.1178.3-64.3171.3000109.3Y380 I381 T383 A391Y380-I389 CarbonylContact C-O 3.52Å; Y380-I389 VanDerWaalsContact CA-O 3.28Å; Y380-I389 WeakPolarHBondContact CA-O 3.38Å; I381-I389 PolarHBondContact N-O 3.26Å; I381-I389 PolarHBondContact O-N 3.43Å; T383-I389 HydrophobicContact CG2-CD1 3.54Å; T383-I389 HydrophobicContact CG2-CG1 3.64Å; I389-A391 PolarHBondContact O-N 2.86Å
390L94.9Very high91.6Very high71 Ų7161.2 Ų61.237%0.37232%0.321SS..EExtended strand (participates in β ladder)trans-64.7113.5170.4176.562.7000109.4F378 Y380F378-L390 HydrophobicContact CB-CD1 3.99Å; F378-L390 HydrophobicContact CD1-CD1 4.08Å; Y380-L390 HydrophobicContact CD1-CB 4.11Å; Y380-L390 HydrophobicContact CE1-CB 3.67Å; Y380-L390 HydrophobicContact CE1-CD1 4.1Å; Y380-L390 HydrophobicContact CE1-CG 4.45Å; Y380-L390 HydrophobicContact CE2-CD1 4.06Å
391A94.4Very high91.7Very high48 Ų4864.2 Ų64.240%0.39733%0.334SS..EExtended strand (participates in β ladder)trans-89.3-35.3179.300000112.7V379 I381 I389V379-A391 WeakPolarHBondContact O-CB 2.92Å; V379-A391 PolarHBondContact O-N 3.3Å; I381-A391 HydrophobicContact CD1-CB 3.81Å; I381-A391 HydrophobicContact CG1-CB 4Å; I389-A391 PolarHBondContact O-N 2.86Å
392K95.2Very high91.9Very high65 Ų6561.3 Ų61.328%0.28332%0.319SS..EExtended strand (participates in β ladder)trans-173.3156.317849.4176.963.3-1760114.1V379 L394 E400 K401 I402V379-K392 HydrophobicContact CB-CG 3.8Å; V379-K392 HydrophobicContact CG2-CD 4.3Å; V379-K392 HydrophobicContact CG2-CG 3.78Å; V379-K392 PolarHBondContact N-O 2.64Å; V379-K392 PolarHBondContact O-N 3.07Å; K392-L394 HydrophobicContact CD-CD2 3.69Å; K392-L394 HydrophobicContact CG-CD2 4.25Å; K392-E400 VanDerWaalsContact CD-OE1 3.3Å; K392-E400 WeakPolarHBondContact CD-OE1 3.43Å; K392-E400 WeakPolarHBondContact CE-OE1 3.49Å; K392-E400 IonicContact NZ-OE1 3.92Å; K392-E400 PolarHBondContact NZ-OE1 3.46Å; K392-K401 PolarHBondContact NZ-O 3.35Å; K392-I402 HydrophobicContact CD-CG2 4.48Å
393K96.3Very high92.2Very high110 Ų11061.6 Ų61.648%0.47832%0.319SS..EExtended strand (participates in β ladder)trans-95.4123.4160.4-176.5177.9-177.1176.10107.2F378 E559F378-K393 HydrophobicContact CD1-CB 4.01Å; F378-K393 HydrophobicContact CD1-CG 4.09Å; F378-K393 HydrophobicContact CE1-CB 4.07Å; F378-K393 HydrophobicContact CE1-CD 3.8Å; F378-K393 HydrophobicContact CE1-CG 3.81Å; F378-K393 HydrophobicContact CZ-CD 4.15Å; F378-K393 HydrophobicContact CZ-CG 4.3Å; K393-E559 IonicContact NZ-OE2 3.54Å; K393-E559 PolarHBondContact NZ-OE2 2.96Å; K393-E559 VanDerWaalsContact NZ-OE2 3.09Å
394L96.5Very high92.7Very high3 Ų362.1 Ų62.12%0.01632%0.321CS..PPolyproline II helixtrans-76.7132.8-170.8-70.2177.4000113.7I358 A369 R371 V377 V379 K392 E400 I402I358-L394 HydrophobicContact CD1-CD1 3.54Å; A369-L394 HydrophobicContact CB-CD1 3.94Å; R371-L394 HydrophobicContact CB-CB 4.3Å; R371-L394 WeakPolarHBondContact CD-O 3.43Å; R371-L394 PolarHBondContact NH1-O 3.48Å; V377-L394 HydrophobicContact CB-CB 4.4Å; V377-L394 HydrophobicContact CB-CD1 4.11Å; V377-L394 HydrophobicContact CG1-CD1 3.92Å; V377-L394 PolarHBondContact O-N 2.98Å; V379-L394 HydrophobicContact CG2-CD1 3.85Å; V379-L394 HydrophobicContact CG2-CD2 3.82Å; V379-L394 HydrophobicContact CG2-CG 3.69Å; K392-L394 HydrophobicContact CD-CD2 3.69Å; K392-L394 HydrophobicContact CG-CD2 4.25Å; L394-E400 WeakPolarHBondContact CA-OE2 3.42Å; L394-E400 HydrophobicContact CD2-CB 4.05Å; L394-E400 HydrophobicContact CD2-CG 4.3Å; L394-E400 WeakPolarHBondContact CD2-OE2 3.42Å; L394-I402 HydrophobicContact CD2-CG2 4.11Å
395G94.5Very high93.5Very high25 Ų2558.8 Ų58.826%0.25830%0.3SS..PPolyproline II helixtrans-63.8142.4168.600000111.9E400G395-E400 PolarHBondContact N-OE2 2.94Å
396R93.5Very high94.5Very high56 Ų5660.6 Ų60.621%0.21130%0.297CS..BIsolated β-bridgetrans-85.6138.5176.7-163.7179.6176-141.23.1109.9R371 I372 C373 L398 D564R371-R396 HydrophobicContact CG-CG 4.48Å; R371-R396 CarbonylContact O-C 3.5Å; R371-R396 VanDerWaalsContact O-CA 3.31Å; R371-R396 WeakPolarHBondContact O-CA 3.44Å; R371-R396 WeakPolarHBondContact O-CG 3.46Å; I372-R396 PolarHBondContact O-NE 3.44Å; I372-R396 PolarHBondContact O-NH2 2.8Å; C373-R396 WeakPolarHBondContact O-CD 3.48Å; C373-R396 PolarHBondContact O-NE 2.92Å; R396-L398 PolarHBondContact O-N 2.7Å; R396-D564 IonicContact CZ-OD1 3.72Å; R396-D564 IonicContact CZ-OD2 3.67Å; R396-D564 VanDerWaalsContact CZ-OD2 3.29Å; R396-D564 IonicContact NH1-OD1 3.57Å; R396-D564 PolarHBondContact NH1-OD1 2.91Å; R396-D564 IonicContact NH1-OD2 2.69Å; R396-D564 PolarHBondContact NH1-OD2 2.79Å; R396-D564 IonicContact NH2-OD1 3.93Å; R396-D564 IonicContact NH2-OD2 2.69Å; R396-D564 PolarHBondContact NH2-OD2 3.4Å
397R93.5Very high95.2Very high119 Ų11964.7 Ų64.745%0.44931%0.31SS..THydrogen-bonded Turntrans55.427-171-48.2-177.4-164.4-1632.1113R371 D564 D566R371-R397 PolarHBondContact O-N 2.89Å; R397-D564 IonicContact NH2-OD1 3.83Å; R397-D564 PolarHBondContact NH2-OD1 2.69Å; R397-D566 IonicContact CZ-OD2 2.69Å; R397-D566 IonicContact NH1-OD2 3.39Å; R397-D566 PolarHBondContact NH1-OD2 3.37Å; R397-D566 IonicContact NH2-OD2 3.69Å; R397-D566 PolarHBondContact NH2-OD2 3.2Å
398L94.8Very high95.7Very high94 Ų9460 Ų6049%0.49229%0.288SS..  trans-121.4128.6177.6-179.465.3000109.9E370 R396 E400E370-L398 WeakPolarHBondContact CA-O 3.48Å; R396-L398 PolarHBondContact O-N 2.7Å; L398-E400 HydrophobicContact CD2-CG 3.9Å; L398-E400 HydrophobicContact CG-CG 3.9Å
399R97.1Very high95.9Very high118 Ų11860 Ų6045%0.44529%0.291SS..EExtended strand (participates in β ladder)trans-91.7110.8178.1-171.8-179.6-174.7-1624.5110.8T361 Y368 A369 E370T361-R399 PolarHBondContact OG1-NE 3.4Å; T361-R399 PolarHBondContact OG1-NH2 3.04Å; Y368-R399 HydrophobicContact CD1-CG 4.42Å; A369-R399 CarbonylContact O-C 3.45Å; A369-R399 WeakPolarHBondContact O-CA 3.25Å; E370-R399 HydrophobicContact CB-CB 4.33Å; E370-R399 HydrophobicContact CG-CB 4.41Å
400E97.5Very high96.1Very high34 Ų3461.1 Ų61.116%0.15929%0.292CS..EExtended strand (participates in β ladder)trans-115.8139.2-174.4-63.9-165.256.900112.2Y368 A369 K392 L394 G395 L398 I402Y368-E400 CarbonylContact C-O 3.47Å; Y368-E400 WeakPolarHBondContact CA-O 3.32Å; A369-E400 PolarHBondContact N-O 2.99Å; A369-E400 PolarHBondContact O-N 3.16Å; K392-E400 VanDerWaalsContact CD-OE1 3.3Å; K392-E400 WeakPolarHBondContact CD-OE1 3.43Å; K392-E400 WeakPolarHBondContact CE-OE1 3.49Å; K392-E400 IonicContact NZ-OE1 3.92Å; K392-E400 PolarHBondContact NZ-OE1 3.46Å; L394-E400 WeakPolarHBondContact CA-OE2 3.42Å; L394-E400 HydrophobicContact CD2-CB 4.05Å; L394-E400 HydrophobicContact CD2-CG 4.3Å; L394-E400 WeakPolarHBondContact CD2-OE2 3.42Å; G395-E400 PolarHBondContact N-OE2 2.94Å; L398-E400 HydrophobicContact CD2-CG 3.9Å; L398-E400 HydrophobicContact CG-CG 3.9Å; E400-I402 PolarHBondContact O-N 3.07Å
401K98.2Very high96Very high68 Ų6860.5 Ų60.530%0.29629%0.288SS..EExtended strand (participates in β ladder)trans-66132.5165.1-163.9-174.6-68.2-159.40108.7Y368 K392 F403 D404Y368-K401 HydrophobicContact CD1-CB 4.01Å; Y368-K401 HydrophobicContact CE1-CB 3.82Å; Y368-K401 HydrophobicContact CE1-CG 4.29Å; Y368-K401 HydrophobicContact CE2-CG 4.38Å; Y368-K401 VanDerWaalsContact OH-CE 3.26Å; Y368-K401 WeakPolarHBondContact OH-CE 3.39Å; K392-K401 PolarHBondContact NZ-O 3.35Å; K401-F403 WeakPolarHBondContact CG-O 3.33Å; K401-D404 HydrophobicContact CD-CB 3.84Å; K401-D404 WeakPolarHBondContact CD-OD2 3.42Å; K401-D404 IonicContact NZ-OD1 3.7Å; K401-D404 IonicContact NZ-OD2 2.74Å; K401-D404 PolarHBondContact NZ-OD2 3.14Å
402I97.9Very high96Very high15 Ų1558.2 Ų58.28%0.07727%0.269CS..EExtended strand (participates in β ladder)trans-118.7-23.1176.558.1163.8000112.9L360 I367 A369 V379 K392 L394 E400 V427 L429L360-I402 HydrophobicContact CD2-CD1 4.15Å; I367-I402 HydrophobicContact CB-CD1 4.45Å; I367-I402 HydrophobicContact CB-CG1 4.06Å; I367-I402 HydrophobicContact CG2-CD1 3.95Å; I367-I402 HydrophobicContact CG2-CG1 4.03Å; I367-I402 WeakPolarHBondContact O-CG1 3.34Å; I367-I402 PolarHBondContact O-N 3.12Å; A369-I402 HydrophobicContact CB-CD1 3.89Å; A369-I402 HydrophobicContact CB-CG1 4.27Å; A369-I402 HydrophobicContact CB-CG2 3.82Å; V379-I402 HydrophobicContact CG1-CB 4.15Å; V379-I402 HydrophobicContact CG1-CG2 4.23Å; V379-I402 HydrophobicContact CG2-CG2 3.91Å; K392-I402 HydrophobicContact CD-CG2 4.48Å; L394-I402 HydrophobicContact CD2-CG2 4.11Å; E400-I402 PolarHBondContact O-N 3.07Å; I402-V427 HydrophobicContact CD1-CG2 3.92Å; I402-V427 HydrophobicContact CG1-CG2 4.45Å; I402-L429 HydrophobicContact CD1-CD2 4.33Å
403F98.1Very high96Very high16 Ų1658.5 Ų58.57%0.0727%0.274CS..EExtended strand (participates in β ladder)trans-139.7134.5172.9173.6-92.8000109.6S366 I367 K401 Y405 F408 A455S366-F403 CarbonylContact C-O 3.6Å; S366-F403 VanDerWaalsContact CA-O 3.31Å; S366-F403 WeakPolarHBondContact CA-O 3.4Å; S366-F403 WeakPolarHBondContact CB-O 3.22Å; I367-F403 HydrophobicContact CB-CB 3.93Å; I367-F403 HydrophobicContact CD1-CB 3.9Å; I367-F403 HydrophobicContact CD1-CD1 4.11Å; I367-F403 HydrophobicContact CD1-CG 4.14Å; I367-F403 HydrophobicContact CG1-CB 3.88Å; I367-F403 HydrophobicContact CG1-CD1 3.92Å; I367-F403 HydrophobicContact CG1-CG 4.24Å; I367-F403 PolarHBondContact N-O 2.83Å; I367-F403 PolarHBondContact O-N 3.35Å; K401-F403 WeakPolarHBondContact CG-O 3.33Å; F403-Y405 HydrophobicContact CE1-CD2 4.34Å; F403-F408 HydrophobicContact CE1-CB 4.44Å; F403-F408 HydrophobicContact CE2-CB 4.25Å; F403-F408 HydrophobicContact CE2-CD2 4.41Å; F403-F408 HydrophobicContact CZ-CB 3.67Å; F403-F408 HydrophobicContact CZ-CD2 4.09Å; F403-F408 AromaticContact CZ-CG 3.85Å; F403-F408 HydrophobicContact CZ-CG 3.85Å; F403-A455 HydrophobicContact CE1-CB 4.19Å; F403-A455 HydrophobicContact CZ-CB 3.73Å
404D97.3Very high95.8Very high45 Ų4553.9 Ų53.924%0.24126%0.255CS..  trans-110.3114.5179.8-164.5-53.5000110.7K401 D406 Q407 F408K401-D404 HydrophobicContact CD-CB 3.84Å; K401-D404 WeakPolarHBondContact CD-OD2 3.42Å; K401-D404 IonicContact NZ-OD1 3.7Å; K401-D404 IonicContact NZ-OD2 2.74Å; K401-D404 PolarHBondContact NZ-OD2 3.14Å; D404-D406 PolarHBondContact OD1-N 3.34Å; D404-D406 VanDerWaalsContact OD1-N 3.08Å; D404-Q407 HydrophobicContact CB-CB 3.86Å; D404-Q407 PolarHBondContact OD1-N 2.77Å; D404-F408 VanDerWaalsContact O-CB 3.32Å; D404-F408 WeakPolarHBondContact O-CB 3.44Å; D404-F408 PolarHBondContact O-N 3.26Å
405Y97.8Very high95.6Very high6 Ų658.2 Ų58.22%0.02427%0.272CS..Hα-helixtrans-77.9-30.7-175.7177.8-95.2000113.1Y287 S366 F403 F408 L409 R454 A455Y287-Y405 HydrophobicContact CD1-CE1 4.35Å; Y287-Y405 HydrophobicContact CE1-CD1 4.37Å; Y287-Y405 AromaticContact CE1-CE1 3.67Å; Y287-Y405 HydrophobicContact CE1-CE1 3.67Å; Y287-Y405 AromaticContact CE1-CZ 3.92Å; S366-Y405 PolarHBondContact OG-N 2.78Å; S366-Y405 VanDerWaalsContact OG-N 3.08Å; F403-Y405 HydrophobicContact CE1-CD2 4.34Å; Y405-F408 HydrophobicContact CD2-CD1 4.32Å; Y405-F408 HydrophobicContact CE2-CD1 4.35Å; Y405-F408 WeakPolarHBondContact O-CB 3.42Å; Y405-F408 PolarHBondContact O-N 3.01Å; Y405-L409 HydrophobicContact CD1-CD1 4.16Å; Y405-L409 HydrophobicContact CD1-CG 4.37Å; Y405-L409 HydrophobicContact CE1-CD1 3.45Å; Y405-L409 VanDerWaalsContact CE1-CD1 3.45Å; Y405-L409 HydrophobicContact CE1-CD2 4.43Å; Y405-L409 HydrophobicContact CE1-CG 3.84Å; Y405-L409 WeakPolarHBondContact O-CG 3.31Å; Y405-L409 PolarHBondContact O-N 3.36Å; Y405-R454 HydrophobicContact CD2-CG 4.4Å; Y405-R454 HydrophobicContact CE2-CB 3.91Å; Y405-R454 HydrophobicContact CE2-CG 3.45Å; Y405-R454 VanDerWaalsContact CE2-CG 3.45Å; Y405-R454 WeakPolarHBondContact OH-CG 3.4Å; Y405-A455 HydrophobicContact CD2-CB 4.21Å; Y405-A455 HydrophobicContact CE2-CB 4.3Å
406D96.9Very high95.5Very high94 Ų9461.7 Ų61.750%0.50328%0.277SS..Hα-helixtrans-75.9-39.3179.7-57.6-59.9000110D404 L409 F410D404-D406 PolarHBondContact OD1-N 3.34Å; D404-D406 VanDerWaalsContact OD1-N 3.08Å; D406-L409 PolarHBondContact O-N 3.28Å; D406-F410 PolarHBondContact O-N 2.94Å
407Q96Very high95.4Very high107 Ų10764.4 Ų64.450%0.529%0.292SS..Hα-helixtrans-63.4-40.2168.7-167.3-17819.500112D404 L409 F410 H411D404-Q407 HydrophobicContact CB-CB 3.86Å; D404-Q407 PolarHBondContact OD1-N 2.77Å; Q407-L409 PolarHBondContact O-N 3.25Å; Q407-F410 PolarHBondContact O-N 2.84Å; Q407-H411 PolarHBondContact O-N 2.94Å
408F96.3Very high95.1Very high6 Ų665.9 Ų65.93%0.02631%0.309CS..Hα-helixtrans-59.3-43.7173.2164.9-89.3000112F403 D404 Y405 H411 L412 P423 H424 F425 A455 Q458 L459F403-F408 HydrophobicContact CE1-CB 4.44Å; F403-F408 HydrophobicContact CE2-CB 4.25Å; F403-F408 HydrophobicContact CE2-CD2 4.41Å; F403-F408 HydrophobicContact CZ-CB 3.67Å; F403-F408 HydrophobicContact CZ-CD2 4.09Å; F403-F408 AromaticContact CZ-CG 3.85Å; F403-F408 HydrophobicContact CZ-CG 3.85Å; D404-F408 VanDerWaalsContact O-CB 3.32Å; D404-F408 WeakPolarHBondContact O-CB 3.44Å; D404-F408 PolarHBondContact O-N 3.26Å; Y405-F408 HydrophobicContact CD2-CD1 4.32Å; Y405-F408 HydrophobicContact CE2-CD1 4.35Å; Y405-F408 WeakPolarHBondContact O-CB 3.42Å; Y405-F408 PolarHBondContact O-N 3.01Å; F408-H411 PolarHBondContact O-N 3.28Å; F408-L412 HydrophobicContact CE1-CB 4.43Å; F408-L412 HydrophobicContact CE1-CD2 3.78Å; F408-L412 HydrophobicContact CZ-CB 4.47Å; F408-L412 HydrophobicContact CZ-CD2 3.97Å; F408-L412 VanDerWaalsContact O-CB 3.23Å; F408-L412 WeakPolarHBondContact O-CB 3.1Å; F408-L412 PolarHBondContact O-N 3.1Å; F408-P423 HydrophobicContact CD2-CB 3.9Å; F408-P423 HydrophobicContact CD2-CG 4.13Å; F408-P423 HydrophobicContact CE2-CB 4Å; F408-P423 HydrophobicContact CE2-CG 3.78Å; F408-P423 HydrophobicContact CZ-CG 4.46Å; F408-H424 WeakPolarHBondContact CD2-O 3.48Å; F408-F425 HydrophobicContact CE2-CB 4.08Å; F408-A455 HydrophobicContact CD1-CB 3.69Å; F408-A455 HydrophobicContact CD2-CB 4.13Å; F408-A455 VanDerWaalsContact CE1-CA 3.48Å; F408-A455 HydrophobicContact CE1-CB 3.52Å; F408-A455 HydrophobicContact CE2-CB 3.96Å; F408-A455 HydrophobicContact CG-CB 4.02Å; F408-A455 HydrophobicContact CZ-CB 3.67Å; F408-A455 WeakPolarHBondContact CZ-O 3.35Å; F408-Q458 HydrophobicContact CE1-CB 4.41Å; F408-L459 HydrophobicContact CZ-CB 4.28Å
409L95.8Very high94.8Very high52 Ų5267.1 Ų67.127%0.27231%0.312SS..Hα-helixtrans-63.3-42.6176.8-76.1-177.3000112.1Y405 D406 Q407 L412 D413 Q458Y405-L409 HydrophobicContact CD1-CD1 4.16Å; Y405-L409 HydrophobicContact CD1-CG 4.37Å; Y405-L409 HydrophobicContact CE1-CD1 3.45Å; Y405-L409 VanDerWaalsContact CE1-CD1 3.45Å; Y405-L409 HydrophobicContact CE1-CD2 4.43Å; Y405-L409 HydrophobicContact CE1-CG 3.84Å; Y405-L409 WeakPolarHBondContact O-CG 3.31Å; Y405-L409 PolarHBondContact O-N 3.36Å; D406-L409 PolarHBondContact O-N 3.28Å; Q407-L409 PolarHBondContact O-N 3.25Å; L409-L412 HydrophobicContact CD2-CD2 4.26Å; L409-L412 WeakPolarHBondContact O-CB 3.49Å; L409-L412 PolarHBondContact O-N 3.26Å; L409-D413 PolarHBondContact O-N 2.87Å; L409-Q458 HydrophobicContact CD2-CB 4.48Å; L409-Q458 HydrophobicContact CD2-CG 4.3Å
410F95.2Very high94.2Very high131 Ų13165.4 Ų65.458%0.57531%0.309SS*.Hα-helixtrans-58.1-50.3175.3175.7-103.6000111.9D406 Q407 L412 D413 S414D406-F410 PolarHBondContact O-N 2.94Å; Q407-F410 PolarHBondContact O-N 2.84Å; F410-L412 VanDerWaalsContact C-N 3.3Å; F410-L412 PolarHBondContact O-N 2.81Å; F410-D413 PolarHBondContact O-N 2.74Å; F410-S414 PolarHBondContact O-N 2.59Å; F410-S414 VanDerWaalsContact O-N 3.12Å
411H94.4Very high93.7Very high58 Ų5867.5 Ų67.527%0.26933%0.328SS..Hα-helixtrans-64.4-33.1175.8-62.9157.3000112.7Q407 F408 S414 Y415 Q420 P423Q407-H411 PolarHBondContact O-N 2.94Å; F408-H411 PolarHBondContact O-N 3.28Å; H411-S414 PolarHBondContact O-N 3.37Å; H411-Y415 WeakPolarHBondContact O-CB 3.01Å; H411-Y415 PolarHBondContact O-N 2.83Å; H411-Q420 PolarHBondContact CD2-OE1 3.01Å; H411-Q420 VanDerWaalsContact CD2-OE1 3.24Å; H411-P423 HydrophobicContact CB-CB 3.84Å; H411-P423 HydrophobicContact CB-CG 4.44Å
412L94.2Very high93.3Very high0 Ų066.3 Ų66.30%033%0.327CS..Hα-helixtrans-65.7-40.1177.1175.759.9000112.2F408 L409 F410 Y415 R416 P423 Q458 L459F408-L412 HydrophobicContact CE1-CB 4.43Å; F408-L412 HydrophobicContact CE1-CD2 3.78Å; F408-L412 HydrophobicContact CZ-CB 4.47Å; F408-L412 HydrophobicContact CZ-CD2 3.97Å; F408-L412 VanDerWaalsContact O-CB 3.23Å; F408-L412 WeakPolarHBondContact O-CB 3.1Å; F408-L412 PolarHBondContact O-N 3.1Å; L409-L412 HydrophobicContact CD2-CD2 4.26Å; L409-L412 WeakPolarHBondContact O-CB 3.49Å; L409-L412 PolarHBondContact O-N 3.26Å; F410-L412 VanDerWaalsContact C-N 3.3Å; F410-L412 PolarHBondContact O-N 2.81Å; L412-Y415 HydrophobicContact CD1-CD1 4.22Å; L412-Y415 PolarHBondContact O-N 3.47Å; L412-R416 HydrophobicContact CD1-CG 4.46Å; L412-R416 WeakPolarHBondContact O-CB 3.26Å; L412-R416 WeakPolarHBondContact O-CD 3.46Å; L412-R416 VanDerWaalsContact O-CG 3.24Å; L412-R416 WeakPolarHBondContact O-CG 3.42Å; L412-R416 PolarHBondContact O-N 2.68Å; L412-P423 HydrophobicContact CB-CG 3.97Å; L412-P423 HydrophobicContact CD1-CG 4.31Å; L412-Q458 HydrophobicContact CD2-CB 3.72Å; L412-L459 HydrophobicContact CD1-CB 4.42Å; L412-L459 HydrophobicContact CD1-CD1 3.64Å
413D94Very high93.1Very high72 Ų7266.1 Ų66.139%0.38533%0.327SS..Hα-helixtrans-75.2-31.5177.2-73.1-26.9000112.3L409 F410 R416 Q417L409-D413 PolarHBondContact O-N 2.87Å; F410-D413 PolarHBondContact O-N 2.74Å; D413-R416 WeakPolarHBondContact OD1-CD 3.4Å; D413-R416 IonicContact OD1-CZ 2.87Å; D413-R416 IonicContact OD1-NE 2.74Å; D413-R416 IonicContact OD1-NH1 2.75Å; D413-R416 PolarHBondContact OD1-NH1 3.4Å; D413-Q417 VanDerWaalsContact O-CG 3.28Å; D413-Q417 WeakPolarHBondContact O-CG 3.48Å; D413-Q417 PolarHBondContact O-N 3.08Å; D413-Q417 VanDerWaalsContact O-N 3.1Å; D413-Q417 PolarHBondContact O-NE2 3.29Å
414S93.3Very high92.8Very high12 Ų1267.2 Ų67.28%0.08433%0.332CS..Hα-helixtrans-67.5-37167-81.40000113.1F410 H411 Q417 N418 Q419 Q420F410-S414 PolarHBondContact O-N 2.59Å; F410-S414 VanDerWaalsContact O-N 3.12Å; H411-S414 PolarHBondContact O-N 3.37Å; S414-Q417 CarbonylContact O-C 3.57Å; S414-Q417 PolarHBondContact O-N 2.95Å; S414-N418 PolarHBondContact O-N 3.48Å; S414-Q419 WeakPolarHBondContact O-CB 3.48Å; S414-Q419 PolarHBondContact O-N 3.13Å; S414-Q419 PolarHBondContact OG-OE1 2.95Å; S414-Q420 PolarHBondContact O-N 3.34Å
415Y92.3Very high92.7Very high94 Ų9466.1 Ų66.137%0.36933%0.326SS..Hα-helixtrans-63.2-45.2172.1168.8-115.7000111.9H411 L412 Q417 N418 C422 L459H411-Y415 WeakPolarHBondContact O-CB 3.01Å; H411-Y415 PolarHBondContact O-N 2.83Å; L412-Y415 HydrophobicContact CD1-CD1 4.22Å; L412-Y415 PolarHBondContact O-N 3.47Å; Y415-Q417 PolarHBondContact O-N 3.43Å; Y415-N418 WeakPolarHBondContact O-CA 3.41Å; Y415-N418 PolarHBondContact O-N 3.16Å; Y415-C422 HydrophobicContact CD2-CB 4.18Å; Y415-C422 HydrophobicContact CE1-CB 4.4Å; Y415-C422 HydrophobicContact CE2-CB 3.85Å; Y415-L459 HydrophobicContact CD1-CD1 4.13Å; Y415-L459 HydrophobicContact CE1-CD1 3.88Å
416R91Very high92.6Very high98 Ų9866.1 Ų66.137%0.3733%0.326SS..Hα-helixtrans-61.2-26.7174.1-72.8161.7173.1172.5-2.6113.2L412 D413 N418 Q458L412-R416 HydrophobicContact CD1-CG 4.46Å; L412-R416 WeakPolarHBondContact O-CB 3.26Å; L412-R416 WeakPolarHBondContact O-CD 3.46Å; L412-R416 VanDerWaalsContact O-CG 3.24Å; L412-R416 WeakPolarHBondContact O-CG 3.42Å; L412-R416 PolarHBondContact O-N 2.68Å; D413-R416 WeakPolarHBondContact OD1-CD 3.4Å; D413-R416 IonicContact OD1-CZ 2.87Å; D413-R416 IonicContact OD1-NE 2.74Å; D413-R416 IonicContact OD1-NH1 2.75Å; D413-R416 PolarHBondContact OD1-NH1 3.4Å; R416-N418 VanDerWaalsContact C-N 3.32Å; R416-Q458 PolarHBondContact NH2-O 2.83Å
417Q91.6Very high92.6Very high114 Ų11461.8 Ų61.853%0.53330%0.303SS..THydrogen-bonded Turntrans-85.91.8172.9-70.9168.37800113.6D413 S414 Y415 Q419D413-Q417 VanDerWaalsContact O-CG 3.28Å; D413-Q417 WeakPolarHBondContact O-CG 3.48Å; D413-Q417 PolarHBondContact O-N 3.08Å; D413-Q417 VanDerWaalsContact O-N 3.1Å; D413-Q417 PolarHBondContact O-NE2 3.29Å; S414-Q417 CarbonylContact O-C 3.57Å; S414-Q417 PolarHBondContact O-N 2.95Å; Y415-Q417 PolarHBondContact O-N 3.43Å; Q417-Q419 HydrophobicContact CB-CG 3.92Å; Q417-Q419 PolarHBondContact O-N 2.9Å
418N88.2Confident92.6Very high150 Ų15056.7 Ų56.780%0.80228%0.279SS*.THydrogen-bonded Turntrans61.124.4-174.9-45.2-85.6000114.2S414 Y415 R416S414-N418 PolarHBondContact O-N 3.48Å; Y415-N418 WeakPolarHBondContact O-CA 3.41Å; Y415-N418 PolarHBondContact O-N 3.16Å; R416-N418 VanDerWaalsContact C-N 3.32Å
419Q88Confident92.7Very high119 Ų11956.4 Ų56.456%0.55628%0.278SS*.SBendtrans-90.8-27.2179.8-64.1162.2-0.300112.9S414 Q417S414-Q419 WeakPolarHBondContact O-CB 3.48Å; S414-Q419 PolarHBondContact O-N 3.13Å; S414-Q419 PolarHBondContact OG-OE1 2.95Å; Q417-Q419 HydrophobicContact CB-CG 3.92Å; Q417-Q419 PolarHBondContact O-N 2.9Å
420Q84.7Confident92.7Very high83 Ų8354 Ų5439%0.38827%0.265SS..SBendtrans-135.1165.8-176.8-72.3-172.9-14.800110.7H411 S414H411-Q420 PolarHBondContact CD2-OE1 3.01Å; H411-Q420 VanDerWaalsContact CD2-OE1 3.24Å; S414-Q420 PolarHBondContact O-N 3.34Å
421S87.4Confident92.7Very high78 Ų7847.8 Ų47.855%0.54524%0.238SC..PPolyproline II helixtrans-75.6166.1173.968.30000112.2
422C89.5Confident92.5Very high42 Ų4245.3 Ų45.328%0.28423%0.227SC..PPolyproline II helixtrans-59125.6-178.2-174.30000111.6Y415Y415-C422 HydrophobicContact CD2-CB 4.18Å; Y415-C422 HydrophobicContact CE1-CB 4.4Å; Y415-C422 HydrophobicContact CE2-CB 3.85Å
423P92.8Very high92.3Very high12 Ų1246.8 Ų46.88%0.07823%0.234CC..PPolyproline II helixtrans-77.5136.8179.132.1-36.5000112F408 H411 L412F408-P423 HydrophobicContact CD2-CB 3.9Å; F408-P423 HydrophobicContact CD2-CG 4.13Å; F408-P423 HydrophobicContact CE2-CB 4Å; F408-P423 HydrophobicContact CE2-CG 3.78Å; F408-P423 HydrophobicContact CZ-CG 4.46Å; H411-P423 HydrophobicContact CB-CB 3.84Å; H411-P423 HydrophobicContact CB-CG 4.44Å; L412-P423 HydrophobicContact CB-CG 3.97Å; L412-P423 HydrophobicContact CD1-CG 4.31Å
424H92.6Very high92.2Very high38 Ų3847.1 Ų47.118%0.17623%0.234CC..PPolyproline II helixtrans-74.7141.2173.4-78.7-72.8000111.8P382 T383 F408 Y486P382-H424 PolarHBondContact O-CD2 2.94Å; P382-H424 PolarHBondContact O-NE2 2.9Å; T383-H424 VanDerWaalsContact C-NE2 3.26Å; T383-H424 PolarHBondContact O-NE2 2.95Å; F408-H424 WeakPolarHBondContact CD2-O 3.48Å; H424-Y486 AromaticContact CE1-CZ 3.86Å; H424-Y486 PolarHBondContact CE1-OH 3.47Å; H424-Y486 PolarHBondContact NE2-OH 3.06Å
425F94.8Very high92Very high23 Ų2347.1 Ų47.110%0.10123%0.233CC..  trans-105.88.1-178.249.7-99.9000112.8I128 F408 A451 S452 A455 W456 L459I128-F425 HydrophobicContact CG2-CD2 4.31Å; I128-F425 HydrophobicContact CG2-CE2 3.83Å; F408-F425 HydrophobicContact CE2-CB 4.08Å; F425-A451 HydrophobicContact CD2-CB 4.12Å; F425-A451 WeakPolarHBondContact O-CA 3.28Å; F425-S452 PolarHBondContact O-N 3.39Å; F425-A455 HydrophobicContact CB-CB 3.59Å; F425-W456 HydrophobicContact CB-CB 4.5Å; F425-W456 HydrophobicContact CD2-CB 4.04Å; F425-W456 AromaticContact CE1-CD1 3.91Å; F425-W456 AromaticContact CE2-CD1 3.74Å; F425-W456 HydrophobicContact CG-CB 4.07Å; F425-W456 AromaticContact CZ-CD1 3.63Å; F425-L459 HydrophobicContact CD1-CD2 3.73Å; F425-L459 HydrophobicContact CE1-CD2 3.89Å
426E95.5Very high91.7Very high6 Ų647 Ų473%0.02823%0.234CC..EExtended strand (participates in β ladder)trans-143.4164.8-171.467169.4-101.600112.9F129 P382 R449 V450 A451F129-E426 WeakPolarHBondContact CD1-OE2 3.39Å; P382-E426 WeakPolarHBondContact CD-O 3.42Å; P382-E426 HydrophobicContact CG-CG 4.2Å; E426-R449 VanDerWaalsContact CD-NH2 3.28Å; E426-R449 IonicContact OE1-CZ 2.68Å; E426-R449 VanDerWaalsContact OE1-CZ 3.29Å; E426-R449 IonicContact OE1-NE 3.13Å; E426-R449 PolarHBondContact OE1-NE 3.04Å; E426-R449 IonicContact OE1-NH2 2.36Å; E426-R449 PolarHBondContact OE1-NH2 3.32Å; E426-R449 VanDerWaalsContact OE1-NH2 3.07Å; E426-R449 IonicContact OE2-CZ 3.35Å; E426-R449 IonicContact OE2-NE 2.72Å; E426-R449 IonicContact OE2-NH2 3.62Å; E426-R449 PolarHBondContact OE2-NH2 3.01Å; E426-V450 CarbonylContact C-O 3.57Å; E426-V450 WeakPolarHBondContact CA-O 3.47Å; E426-V450 WeakPolarHBondContact CB-O 3.44Å; E426-A451 HydrophobicContact CB-CB 3.79Å
427V97.1Very high91.4Very high3 Ų348.4 Ų48.42%0.01826%0.256CS..EExtended strand (participates in β ladder)trans-137.4155.1171.6-64.50000110.8V379 Y380 I381 I402 V450V379-V427 HydrophobicContact CG1-CB 4.21Å; V379-V427 HydrophobicContact CG1-CG2 4.41Å; Y380-V427 WeakPolarHBondContact O-CA 3.44Å; Y380-V427 WeakPolarHBondContact O-CB 3.34Å; I381-V427 HydrophobicContact CG1-CG1 4.06Å; I402-V427 HydrophobicContact CD1-CG2 3.92Å; I402-V427 HydrophobicContact CG1-CG2 4.45Å; V427-V450 HydrophobicContact CG2-CB 4.41Å; V427-V450 PolarHBondContact N-O 3.08Å; V427-V450 PolarHBondContact O-N 3.06Å
428V96.9Very high90.9Very high0 Ų045.8 Ų45.80%026%0.26CS..EExtended strand (participates in β ladder)trans-99.7138.1172.9161.30000110.2V379 Y380 Y388 L444 W447 A448 R449V379-V428 CarbonylContact C-O 3.35Å; V379-V428 WeakPolarHBondContact CA-O 3.28Å; Y380-V428 HydrophobicContact CD2-CG1 4.47Å; Y380-V428 PolarHBondContact N-O 2.97Å; Y380-V428 PolarHBondContact O-N 3.29Å; Y388-V428 HydrophobicContact CD1-CG2 4.29Å; Y388-V428 HydrophobicContact CE1-CB 4.45Å; Y388-V428 HydrophobicContact CE1-CG2 3.73Å; V428-L444 HydrophobicContact CG1-CD1 4.48Å; V428-W447 HydrophobicContact CG1-CE3 3.99Å; V428-W447 HydrophobicContact CG2-CE3 4.16Å; V428-W447 HydrophobicContact CG2-CZ3 4.01Å; V428-A448 CarbonylContact C-O 3.53Å; V428-A448 WeakPolarHBondContact CA-O 3.21Å; V428-R449 HydrophobicContact CG2-CG 3.72Å
429L97.6Very high90.7Very high0 Ų042.5 Ų42.50%024%0.241CC..EExtended strand (participates in β ladder)trans-112.8113.7171.1-56.7177.4000108.2I358 L360 V377 F378 V379 I402 F431 W447 A448 V450I358-L429 HydrophobicContact CD1-CD1 4.39Å; L360-L429 HydrophobicContact CD1-CD1 4.25Å; L360-L429 HydrophobicContact CD2-CD1 3.96Å; V377-L429 HydrophobicContact CG1-CB 4.25Å; V377-L429 HydrophobicContact CG1-CD2 4.44Å; F378-L429 WeakPolarHBondContact O-CA 3.27Å; V379-L429 HydrophobicContact CB-CD2 4.42Å; V379-L429 HydrophobicContact CG1-CD2 4.27Å; V379-L429 HydrophobicContact CG2-CD2 3.84Å; I402-L429 HydrophobicContact CD1-CD2 4.33Å; L429-F431 HydrophobicContact CB-CE2 4.25Å; L429-F431 HydrophobicContact CB-CZ 4.41Å; L429-W447 CarbonylContact O-C 3.55Å; L429-W447 WeakPolarHBondContact O-CA 3.39Å; L429-W447 WeakPolarHBondContact O-CB 3.44Å; L429-A448 PolarHBondContact N-O 3.45Å; L429-A448 PolarHBondContact O-N 2.89Å; L429-V450 HydrophobicContact CD1-CG2 3.73Å; L429-V450 HydrophobicContact CG-CG2 4.22Å
430A95.9Very high90.7Very high0 Ų039.7 Ų39.70%023%0.234CC..EExtended strand (participates in β ladder)trans-99.5133.6173.500000109.9V377 F378 Y380 Q433 L444V377-A430 WeakPolarHBondContact CA-O 3.11Å; F378-A430 HydrophobicContact CB-CB 4.43Å; F378-A430 PolarHBondContact N-O 3.35Å; F378-A430 PolarHBondContact O-N 3.39Å; Y380-A430 HydrophobicContact CD2-CB 4.46Å; Y380-A430 HydrophobicContact CE2-CB 4.13Å; A430-Q433 WeakPolarHBondContact CB-O 3.27Å; A430-L444 HydrophobicContact CB-CD1 3.86Å; A430-L444 HydrophobicContact CB-CD2 4.11Å
431F94.5Very high91Very high2 Ų236 Ų361%0.00922%0.218CC..EExtended strand (participates in β ladder)trans-103.2121.8-176.8-63.4-92000110.5I314 M354 I358 A376 V377 L429 Q433 V446 A448I314-F431 HydrophobicContact CG2-CZ 4.31Å; M354-F431 HydrophobicContact CE-CD1 3.71Å; M354-F431 HydrophobicContact CE-CD2 4.18Å; M354-F431 HydrophobicContact CE-CE1 3.67Å; M354-F431 HydrophobicContact CE-CE2 4.15Å; M354-F431 HydrophobicContact CE-CG 3.98Å; M354-F431 HydrophobicContact CE-CZ 3.9Å; M354-F431 HydrophobicContact CG-CD1 4.02Å; M354-F431 HydrophobicContact SD-CB 3.87Å; M354-F431 HydrophobicContact SD-CD1 3.67Å; M354-F431 HydrophobicContact SD-CD2 4.26Å; M354-F431 HydrophobicContact SD-CE1 4.27Å; M354-F431 HydrophobicContact SD-CG 3.67Å; I358-F431 HydrophobicContact CB-CE1 4.5Å; I358-F431 HydrophobicContact CG2-CE1 3.69Å; I358-F431 HydrophobicContact CG2-CZ 3.77Å; A376-F431 WeakPolarHBondContact O-CA 3.14Å; V377-F431 HydrophobicContact CG1-CD1 4.5Å; V377-F431 HydrophobicContact CG1-CE1 4.38Å; V377-F431 HydrophobicContact CG2-CD1 3.69Å; V377-F431 HydrophobicContact CG2-CE1 3.87Å; L429-F431 HydrophobicContact CB-CE2 4.25Å; L429-F431 HydrophobicContact CB-CZ 4.41Å; F431-Q433 PolarHBondContact O-N 2.84Å; F431-V446 HydrophobicContact CB-CB 4.28Å; F431-V446 HydrophobicContact CB-CG1 4.29Å; F431-V446 HydrophobicContact CD2-CG1 4Å; F431-V446 HydrophobicContact CG-CG1 4.37Å; F431-V446 PolarHBondContact N-O 2.97Å; F431-A448 HydrophobicContact CE2-CB 4.32Å
432G91Very high91.1Very high5 Ų535.9 Ų35.95%0.05221%0.211CC..SBendtrans72.3-47.6-179.600000114.6C375 A376 F378 G557C375-G432 PolarHBondContact SG-N 3.05Å; A376-G432 PolarHBondContact O-N 2.92Å; F378-G432 WeakPolarHBondContact CE2-O 3.39Å; G432-G557 CarbonylContact C-O 3.36Å; G432-G557 VanDerWaalsContact C-O 3.28Å; G432-G557 CarbonylContact O-C 3.47Å
433Q90.2Very high91Very high31 Ų3134.7 Ų34.715%0.14520%0.203CC..PPolyproline II helixtrans-87.5132.6-176-173.4-178.3-3.300112.1A430 F431 S443 L444A430-Q433 WeakPolarHBondContact CB-O 3.27Å; F431-Q433 PolarHBondContact O-N 2.84Å; Q433-S443 PolarHBondContact NE2-O 3.45Å; Q433-L444 HydrophobicContact CB-CD2 4.35Å; Q433-L444 HydrophobicContact CG-CD2 4Å
434Q91.9Very high91Very high80 Ų8034.2 Ų34.237%0.37420%0.2SC..PPolyproline II helixtrans-83.9133.1165.7-163.3174.7-70.600109.6F378 Y380 K436F378-Q434 HydrophobicContact CD1-CB 4.5Å; F378-Q434 HydrophobicContact CD1-CG 4.19Å; F378-Q434 HydrophobicContact CE1-CB 4.21Å; F378-Q434 HydrophobicContact CE1-CG 4.15Å; F378-Q434 HydrophobicContact CE2-CB 4.35Å; F378-Q434 HydrophobicContact CZ-CB 4.13Å; Y380-Q434 WeakPolarHBondContact OH-CG 3.34Å; Q434-K436 PolarHBondContact O-N 3.19Å
435L89.4Confident90.9Very high11 Ų1132.7 Ų32.76%0.05819%0.193CC..PPolyproline II helixtrans-68.9123.7169.9-17168.9000109.3Y380 Y388 T441 L444Y380-L435 HydrophobicContact CD1-CD2 4.46Å; Y380-L435 HydrophobicContact CE1-CB 3.81Å; Y380-L435 HydrophobicContact CE1-CD2 4.39Å; Y380-L435 HydrophobicContact CE2-CB 4.08Å; Y380-L435 WeakPolarHBondContact OH-CB 3.29Å; Y380-L435 PolarHBondContact OH-N 3.14Å; Y380-L435 PolarHBondContact OH-O 2.94Å; Y388-L435 HydrophobicContact CD2-CD2 4.18Å; Y388-L435 HydrophobicContact CG-CD2 4.15Å; L435-T441 HydrophobicContact CD2-CG2 3.93Å; L435-L444 HydrophobicContact CB-CD2 4.12Å; L435-L444 HydrophobicContact CD1-CD1 4.2Å; L435-L444 HydrophobicContact CD1-CD2 3.95Å; L435-L444 HydrophobicContact CD1-CG 3.91Å
436K85Confident90.9Very high93 Ų9331.6 Ų31.640%0.40419%0.188SC..PPolyproline II helixtrans-77.5141172.6-63.6-175.9174.8-174.90109.3Q434 I439 E555Q434-K436 PolarHBondContact O-N 3.19Å; K436-I439 HydrophobicContact CB-CD1 3.84Å; K436-I439 HydrophobicContact CB-CG1 4.21Å; K436-I439 HydrophobicContact CD-CD1 4.49Å; K436-I439 PolarHBondContact O-N 3.35Å; K436-E555 IonicContact NZ-OE2 3.8Å; K436-E555 PolarHBondContact NZ-OE2 3.49Å
437P84.6Confident90.9Very high126 Ų12631.5 Ų31.582%0.81819%0.188SC*.THydrogen-bonded Turntrans-55.9144.5-179.4-2634.9000113.3I439P437-I439 PolarHBondContact O-N 2.89Å
438G82.1Confident90.9Very high60 Ų6031.4 Ų31.462%0.61919%0.187SC*.THydrogen-bonded Turntrans70.54.5-179.300000116E387E387-G438 PolarHBondContact OE2-N 3.1Å
439I84.5Confident90.9Very high81 Ų8133.2 Ų33.242%0.41519%0.194SC..  trans-104.3137.8174.8-48.2-166.4000110.1K436 P437 S443K436-I439 HydrophobicContact CB-CD1 3.84Å; K436-I439 HydrophobicContact CB-CG1 4.21Å; K436-I439 HydrophobicContact CD-CD1 4.49Å; K436-I439 PolarHBondContact O-N 3.35Å; P437-I439 PolarHBondContact O-N 2.89Å; I439-S443 WeakPolarHBondContact CG2-OG 3.44Å
440S88Confident90.9Very high59 Ų5933.2 Ų33.241%0.41319%0.194SC..  trans-60.4146.8174.5-178.70000112.1D442 S443S440-D442 PolarHBondContact O-N 3.31Å; S440-D442 VanDerWaalsContact O-N 3.11Å; S440-D442 PolarHBondContact OG-N 2.87Å; S440-D442 VanDerWaalsContact OG-N 3.14Å; S440-D442 PolarHBondContact OG-OD2 3.01Å; S440-S443 WeakPolarHBondContact O-CB 3.49Å; S440-S443 PolarHBondContact O-N 2.99Å; S440-S443 PolarHBondContact O-OG 3.03Å
441T89.7Confident91Very high7 Ų733.2 Ų33.24%0.04319%0.194CC..G310 helixtrans-57.1-18.3167.245.10000113.6Y388 L435 S443 L444 W447Y388-T441 HydrophobicContact CD1-CG2 4.28Å; Y388-T441 HydrophobicContact CD2-CG2 3.91Å; Y388-T441 HydrophobicContact CE1-CG2 4Å; Y388-T441 HydrophobicContact CE2-CG2 3.6Å; Y388-T441 HydrophobicContact CG-CG2 4.23Å; L435-T441 HydrophobicContact CD2-CG2 3.93Å; T441-S443 PolarHBondContact O-N 2.94Å; T441-S443 VanDerWaalsContact O-N 3.12Å; T441-L444 HydrophobicContact CG2-CD1 4.02Å; T441-L444 VanDerWaalsContact O-CB 3.32Å; T441-L444 WeakPolarHBondContact O-CB 3.37Å; T441-L444 PolarHBondContact O-N 3.14Å; T441-W447 VanDerWaalsContact CB-CH2 3.47Å; T441-W447 HydrophobicContact CG2-CH2 4.39Å; T441-W447 HydrophobicContact CG2-CZ3 4.18Å; T441-W447 VanDerWaalsContact O-CE2 3.31Å; T441-W447 PolarHBondContact O-NE1 2.92Å; T441-W447 WeakPolarHBondContact OG1-CH2 3.47Å
442D89Confident91.1Very high75 Ų7533.1 Ų33.140%0.40119%0.194SC..G310 helixtrans-60.2-16.4170.5-62.1-60.5000113.7L297 S298 S440L297-D442 CarbonylContact C-O 3.55Å; L297-D442 WeakPolarHBondContact CA-O 3.37Å; L297-D442 WeakPolarHBondContact CB-O 3.44Å; S298-D442 WeakPolarHBondContact CA-OD1 3.32Å; S298-D442 VanDerWaalsContact CB-OD1 3.28Å; S298-D442 WeakPolarHBondContact CB-OD1 3.41Å; S298-D442 PolarHBondContact N-O 2.75Å; S440-D442 PolarHBondContact O-N 3.31Å; S440-D442 VanDerWaalsContact O-N 3.11Å; S440-D442 PolarHBondContact OG-N 2.87Å; S440-D442 VanDerWaalsContact OG-N 3.14Å; S440-D442 PolarHBondContact OG-OD2 3.01Å
443S88.6Confident91.3Very high17 Ų1732.9 Ų32.912%0.11919%0.191CC..G310 helixtrans-81.3-9.2173.168.50000114.3Q433 I439 S440 T441Q433-S443 PolarHBondContact NE2-O 3.45Å; I439-S443 WeakPolarHBondContact CG2-OG 3.44Å; S440-S443 WeakPolarHBondContact O-CB 3.49Å; S440-S443 PolarHBondContact O-N 2.99Å; S440-S443 PolarHBondContact O-OG 3.03Å; T441-S443 PolarHBondContact O-N 2.94Å; T441-S443 VanDerWaalsContact O-N 3.12Å
444L91.7Very high91.5Very high1 Ų132.7 Ų32.71%0.00519%0.189CC..  trans-80.8121.7-179.1-64.9173.6000110.7L297 V428 A430 Q433 L435 T441 V446 W447L297-L444 WeakPolarHBondContact CA-O 3.4Å; L297-L444 PolarHBondContact N-O 3.06Å; V428-L444 HydrophobicContact CG1-CD1 4.48Å; A430-L444 HydrophobicContact CB-CD1 3.86Å; A430-L444 HydrophobicContact CB-CD2 4.11Å; Q433-L444 HydrophobicContact CB-CD2 4.35Å; Q433-L444 HydrophobicContact CG-CD2 4Å; L435-L444 HydrophobicContact CB-CD2 4.12Å; L435-L444 HydrophobicContact CD1-CD1 4.2Å; L435-L444 HydrophobicContact CD1-CD2 3.95Å; L435-L444 HydrophobicContact CD1-CG 3.91Å; T441-L444 HydrophobicContact CG2-CD1 4.02Å; T441-L444 VanDerWaalsContact O-CB 3.32Å; T441-L444 WeakPolarHBondContact O-CB 3.37Å; T441-L444 PolarHBondContact O-N 3.14Å; L444-V446 PolarHBondContact O-N 3.48Å; L444-W447 HydrophobicContact CB-CB 3.99Å; L444-W447 VanDerWaalsContact CB-CD1 3.49Å; L444-W447 HydrophobicContact CB-CG 3.78Å; L444-W447 HydrophobicContact CD1-CB 3.93Å; L444-W447 HydrophobicContact CD1-CD2 4.29Å; L444-W447 HydrophobicContact CD1-CG 4.02Å
445L91.8Very high91.7Very high6 Ų628.9 Ų28.93%0.03117%0.171CC..SBendtrans-60.3-44.5-176-70.6161.4000112.4H296 L297 N343 V347 L350 I554H296-L445 WeakPolarHBondContact CA-O 3.47Å; H296-L445 VanDerWaalsContact CB-O 3.25Å; H296-L445 WeakPolarHBondContact CB-O 3.35Å; L297-L445 HydrophobicContact CD2-CD2 4.11Å; L297-L445 PolarHBondContact N-O 3.47Å; N343-L445 HydrophobicContact CB-CD2 3.87Å; V347-L445 HydrophobicContact CG2-CB 3.98Å; V347-L445 HydrophobicContact CG2-CD2 3.86Å; L350-L445 HydrophobicContact CD1-CB 3.56Å; L350-L445 HydrophobicContact CD1-CD1 3.98Å; L350-L445 HydrophobicContact CD1-CG 4.44Å; L445-I554 HydrophobicContact CD1-CD1 3.47Å; L445-I554 VanDerWaalsContact CD1-CD1 3.47Å; L445-I554 HydrophobicContact CD1-CG1 4.34Å
446V93.3Very high91.9Very high1 Ų128.4 Ų28.41%0.00617%0.169CC..SBendtrans-140.6122.7173.8-177.40000109.2V347 L350 L351 M354 F431 L444V347-V446 HydrophobicContact CG1-CG2 3.88Å; V347-V446 HydrophobicContact CG2-CG2 4.5Å; L350-V446 HydrophobicContact CB-CG2 4.1Å; L350-V446 HydrophobicContact CD1-CB 4.49Å; L350-V446 HydrophobicContact CD1-CG2 4.22Å; L351-V446 HydrophobicContact CD2-CG1 4.35Å; L351-V446 HydrophobicContact CD2-CG2 4.37Å; L351-V446 HydrophobicContact CG-CG2 4.32Å; M354-V446 HydrophobicContact CE-CG1 4.26Å; M354-V446 HydrophobicContact SD-CG1 3.7Å; F431-V446 HydrophobicContact CB-CB 4.28Å; F431-V446 HydrophobicContact CB-CG1 4.29Å; F431-V446 HydrophobicContact CD2-CG1 4Å; F431-V446 HydrophobicContact CG-CG1 4.37Å; F431-V446 PolarHBondContact N-O 2.97Å; L444-V446 PolarHBondContact O-N 3.48Å
447W95.7Very high92.3Very high4 Ų425 Ų252%0.01515%0.154CC..EExtended strand (participates in β ladder)trans-152.8166.5-17963.6-69.7000113.1Q295 L297 V428 L429 T441 L444 R449Q295-W447 HydrophobicContact CB-CD2 3.96Å; Q295-W447 VanDerWaalsContact CB-CE2 3.45Å; Q295-W447 HydrophobicContact CB-CG 4.28Å; Q295-W447 HydrophobicContact CB-CZ2 3.83Å; Q295-W447 HydrophobicContact CG-CZ2 4.2Å; Q295-W447 PolarHBondContact N-O 3.49Å; Q295-W447 PolarHBondContact O-N 2.94Å; L297-W447 PolarHBondContact O-NE1 3Å; V428-W447 HydrophobicContact CG1-CE3 3.99Å; V428-W447 HydrophobicContact CG2-CE3 4.16Å; V428-W447 HydrophobicContact CG2-CZ3 4.01Å; L429-W447 CarbonylContact O-C 3.55Å; L429-W447 WeakPolarHBondContact O-CA 3.39Å; L429-W447 WeakPolarHBondContact O-CB 3.44Å; T441-W447 VanDerWaalsContact CB-CH2 3.47Å; T441-W447 HydrophobicContact CG2-CH2 4.39Å; T441-W447 HydrophobicContact CG2-CZ3 4.18Å; T441-W447 VanDerWaalsContact O-CE2 3.31Å; T441-W447 PolarHBondContact O-NE1 2.92Å; T441-W447 WeakPolarHBondContact OG1-CH2 3.47Å; L444-W447 HydrophobicContact CB-CB 3.99Å; L444-W447 VanDerWaalsContact CB-CD1 3.49Å; L444-W447 HydrophobicContact CB-CG 3.78Å; L444-W447 HydrophobicContact CD1-CB 3.93Å; L444-W447 HydrophobicContact CD1-CD2 4.29Å; L444-W447 HydrophobicContact CD1-CG 4.02Å; W447-R449 HydrophobicContact CE3-CG 4.22Å; W447-R449 HydrophobicContact CZ3-CG 3.64Å
448A97.3Very high92.7Very high0 Ų019.8 Ų19.80%012%0.118CC..EExtended strand (participates in β ladder)trans-142.4143.4175.300000112.6R293 I294 I314 V428 L429 F431R293-A448 CarbonylContact O-C 3.54Å; R293-A448 WeakPolarHBondContact O-CA 3.07Å; R293-A448 WeakPolarHBondContact O-CB 3.29Å; I294-A448 HydrophobicContact CG1-CB 4.29Å; I314-A448 HydrophobicContact CD1-CB 4.14Å; V428-A448 CarbonylContact C-O 3.53Å; V428-A448 WeakPolarHBondContact CA-O 3.21Å; L429-A448 PolarHBondContact N-O 3.45Å; L429-A448 PolarHBondContact O-N 2.89Å; F431-A448 HydrophobicContact CE2-CB 4.32Å
449R97.3Very high93.1Very high39 Ų3918 Ų1815%0.14710%0.095CC..EExtended strand (participates in β ladder)trans-95.8132.3165-66.4170.467.3-171.5-7.7108.6F129 V292 R293 E426 V428 W447F129-R449 HydrophobicContact CD1-CB 3.8Å; F129-R449 HydrophobicContact CE1-CB 3.47Å; F129-R449 VanDerWaalsContact CE1-CB 3.47Å; F129-R449 HydrophobicContact CZ-CB 4.04Å; F129-R449 VanDerWaalsContact CZ-O 3.28Å; F129-R449 WeakPolarHBondContact CZ-O 3.46Å; F129-R449 PolarHBondContact O-NH1 3.37Å; F129-R449 PolarHBondContact O-NH2 2.95Å; V292-R449 WeakPolarHBondContact CA-O 3.24Å; R293-R449 HydrophobicContact CB-CB 4.33Å; R293-R449 PolarHBondContact N-O 3.36Å; R293-R449 PolarHBondContact O-N 3.19Å; E426-R449 VanDerWaalsContact CD-NH2 3.28Å; E426-R449 IonicContact OE1-CZ 2.68Å; E426-R449 VanDerWaalsContact OE1-CZ 3.29Å; E426-R449 IonicContact OE1-NE 3.13Å; E426-R449 PolarHBondContact OE1-NE 3.04Å; E426-R449 IonicContact OE1-NH2 2.36Å; E426-R449 PolarHBondContact OE1-NH2 3.32Å; E426-R449 VanDerWaalsContact OE1-NH2 3.07Å; E426-R449 IonicContact OE2-CZ 3.35Å; E426-R449 IonicContact OE2-NE 2.72Å; E426-R449 IonicContact OE2-NH2 3.62Å; E426-R449 PolarHBondContact OE2-NH2 3.01Å; V428-R449 HydrophobicContact CG2-CG 3.72Å; W447-R449 HydrophobicContact CE3-CG 4.22Å; W447-R449 HydrophobicContact CZ3-CG 3.64Å
450V98.1Very high93.3Very high0 Ų016 Ų160%08%0.084CC..EExtended strand (participates in β ladder)trans-127.2119.1-178.8-176.90000108.9L290 G291 L360 I367 E426 V427 L429L290-V450 HydrophobicContact CD1-CG1 4.41Å; G291-V450 WeakPolarHBondContact O-CA 3.26Å; L360-V450 HydrophobicContact CD1-CG1 4.03Å; L360-V450 HydrophobicContact CD1-CG2 3.72Å; I367-V450 HydrophobicContact CD1-CG1 4.18Å; I367-V450 HydrophobicContact CG2-CG1 4.46Å; E426-V450 CarbonylContact C-O 3.57Å; E426-V450 WeakPolarHBondContact CA-O 3.47Å; E426-V450 WeakPolarHBondContact CB-O 3.44Å; V427-V450 HydrophobicContact CG2-CB 4.41Å; V427-V450 PolarHBondContact N-O 3.08Å; V427-V450 PolarHBondContact O-N 3.06Å; L429-V450 HydrophobicContact CD1-CG2 3.73Å; L429-V450 HydrophobicContact CG-CG2 4.22Å
451A97.3Very high93Very high0 Ų017 Ų170%08%0.08CC..EExtended strand (participates in β ladder)trans-121.1142.7-17400000112.2I128 F129 L290 G291 F425 E426 C453I128-A451 HydrophobicContact CG2-CB 3.59Å; F129-A451 HydrophobicContact CE1-CB 3.63Å; F129-A451 HydrophobicContact CZ-CB 3.92Å; L290-A451 CarbonylContact C-O 3.6Å; L290-A451 VanDerWaalsContact CA-O 3.3Å; L290-A451 WeakPolarHBondContact CA-O 3.4Å; G291-A451 PolarHBondContact N-O 2.67Å; G291-A451 PolarHBondContact O-N 3.11Å; F425-A451 HydrophobicContact CD2-CB 4.12Å; F425-A451 WeakPolarHBondContact O-CA 3.28Å; E426-A451 HydrophobicContact CB-CB 3.79Å; A451-C453 PolarHBondContact O-N 2.89Å
452S97Very high91.5Very high0 Ų019.6 Ų19.60%010%0.103CC..EExtended strand (participates in β ladder)trans-80.8113167.11750000109.3F425 R454 A455 W456F425-S452 PolarHBondContact O-N 3.39Å; S452-R454 PolarHBondContact O-N 3.41Å; S452-A455 PolarHBondContact O-N 2.86Å; S452-A455 VanDerWaalsContact O-N 3.11Å; S452-A455 PolarHBondContact OG-N 3.37Å; S452-W456 PolarHBondContact O-N 3.41Å
453C95Very high89.7Confident0 Ų021.9 Ų21.90%011%0.111CC..Hα-helixtrans-58.5-34.3177.2-65.30000111.1W117 I128 P285 Q289 G291 A451 F457W117-C453 HydrophobicContact CH2-CB 4.17Å; W117-C453 HydrophobicContact CZ3-CB 4.33Å; I128-C453 HydrophobicContact CD1-CB 4.5Å; P285-C453 HydrophobicContact CB-CB 3.88Å; P285-C453 HydrophobicContact CG-CB 3.97Å; P285-C453 VanDerWaalsContact CG-O 3.3Å; P285-C453 WeakPolarHBondContact CG-O 3.43Å; Q289-C453 HydrophobicContact CB-CB 4.07Å; Q289-C453 VanDerWaalsContact O-CB 3.31Å; Q289-C453 WeakPolarHBondContact O-CB 3.31Å; Q289-C453 PolarHBondContact O-N 3.34Å; Q289-C453 VanDerWaalsContact O-N 3.08Å; Q289-C453 PolarHBondContact O-SG 2.75Å; G291-C453 PolarHBondContact N-SG 2.7Å; G291-C453 VanDerWaalsContact N-SG 3.38Å; A451-C453 PolarHBondContact O-N 2.89Å; C453-F457 WeakPolarHBondContact O-CB 3.45Å; C453-F457 PolarHBondContact O-N 3.41Å
454R94.7Very high87.6Confident27 Ų2725 Ų2510%0.10213%0.129CC..Hα-helixtrans-60.7-50.1174.7-167.581.1-176.6168.811.2111.4E284 P285 Y287 Y405 S452 F457 Q458E284-R454 VanDerWaalsContact CD-CZ 3.49Å; E284-R454 VanDerWaalsContact CD-NH1 3.26Å; E284-R454 VanDerWaalsContact CD-NH2 3.3Å; E284-R454 VanDerWaalsContact CG-NH1 3.29Å; E284-R454 IonicContact OE1-NH2 2.74Å; E284-R454 IonicContact OE2-CZ 3.44Å; E284-R454 IonicContact OE2-NH1 3.6Å; E284-R454 PolarHBondContact OE2-NH1 2.93Å; E284-R454 IonicContact OE2-NH2 3.25Å; E284-R454 PolarHBondContact OE2-NH2 2.96Å; P285-R454 WeakPolarHBondContact O-CD 3.3Å; P285-R454 PolarHBondContact O-NH1 3.38Å; Y287-R454 HydrophobicContact CD1-CG 3.8Å; Y287-R454 HydrophobicContact CE1-CG 3.87Å; Y287-R454 PolarHBondContact OH-NH2 3.18Å; Y405-R454 HydrophobicContact CD2-CG 4.4Å; Y405-R454 HydrophobicContact CE2-CB 3.91Å; Y405-R454 HydrophobicContact CE2-CG 3.45Å; Y405-R454 VanDerWaalsContact CE2-CG 3.45Å; Y405-R454 WeakPolarHBondContact OH-CG 3.4Å; S452-R454 PolarHBondContact O-N 3.41Å; R454-F457 PolarHBondContact O-N 3.16Å; R454-Q458 WeakPolarHBondContact O-CG 3.48Å; R454-Q458 PolarHBondContact O-N 3.06Å
455A95.5Very high85Confident0 Ų032.2 Ų32.20%017%0.167CC..Hα-helixtrans-63.8-48.5179.400000111.8F403 Y405 F408 F425 S452 F457 Q458 L459F403-A455 HydrophobicContact CE1-CB 4.19Å; F403-A455 HydrophobicContact CZ-CB 3.73Å; Y405-A455 HydrophobicContact CD2-CB 4.21Å; Y405-A455 HydrophobicContact CE2-CB 4.3Å; F408-A455 HydrophobicContact CD1-CB 3.69Å; F408-A455 HydrophobicContact CD2-CB 4.13Å; F408-A455 VanDerWaalsContact CE1-CA 3.48Å; F408-A455 HydrophobicContact CE1-CB 3.52Å; F408-A455 HydrophobicContact CE2-CB 3.96Å; F408-A455 HydrophobicContact CG-CB 4.02Å; F408-A455 HydrophobicContact CZ-CB 3.67Å; F408-A455 WeakPolarHBondContact CZ-O 3.35Å; F425-A455 HydrophobicContact CB-CB 3.59Å; S452-A455 PolarHBondContact O-N 2.86Å; S452-A455 VanDerWaalsContact O-N 3.11Å; S452-A455 PolarHBondContact OG-N 3.37Å; A455-F457 VanDerWaalsContact C-N 3.28Å; A455-F457 PolarHBondContact O-N 2.95Å; A455-Q458 PolarHBondContact O-N 3.26Å; A455-L459 PolarHBondContact O-N 3.48Å
456W94.6Very high82.2Confident1 Ų143.2 Ų43.20%0.00421%0.208CC..Hα-helixtrans-53.7-44.9174.9179.189.5000111.9W117 M127 I128 I132 L279 F425 S452 L459 H460W117-W456 HydrophobicContact CH2-CE3 4.35Å; W117-W456 HydrophobicContact CH2-CZ3 4.36Å; M127-W456 HydrophobicContact CE-CH2 3.37Å; M127-W456 HydrophobicContact CE-CZ2 3.93Å; M127-W456 HydrophobicContact CE-CZ3 3.95Å; M127-W456 HydrophobicContact CG-CH2 4.45Å; M127-W456 HydrophobicContact CG-CZ2 4.16Å; M127-W456 HydrophobicContact SD-CH2 4.09Å; M127-W456 HydrophobicContact SD-CZ2 4.38Å; I128-W456 HydrophobicContact CB-CG 4.45Å; I128-W456 HydrophobicContact CG1-CB 4.47Å; I128-W456 HydrophobicContact CG1-CD2 3.85Å; I128-W456 HydrophobicContact CG1-CE3 4.3Å; I128-W456 HydrophobicContact CG1-CG 3.89Å; I128-W456 HydrophobicContact CG2-CG 4.22Å; I132-W456 HydrophobicContact CD1-CH2 4.21Å; I132-W456 HydrophobicContact CD1-CZ2 3.96Å; I132-W456 HydrophobicContact CG1-CZ2 3.95Å; L279-W456 HydrophobicContact CD2-CH2 3.88Å; L279-W456 HydrophobicContact CD2-CZ3 3.65Å; F425-W456 HydrophobicContact CB-CB 4.5Å; F425-W456 HydrophobicContact CD2-CB 4.04Å; F425-W456 AromaticContact CE1-CD1 3.91Å; F425-W456 AromaticContact CE2-CD1 3.74Å; F425-W456 HydrophobicContact CG-CB 4.07Å; F425-W456 AromaticContact CZ-CD1 3.63Å; S452-W456 PolarHBondContact O-N 3.41Å; W456-L459 PolarHBondContact O-N 3Å; W456-H460 AromaticContact CD1-CE1 3.65Å; W456-H460 AromaticContact CD1-ND1 3.95Å; W456-H460 AromaticContact CE2-CE1 3.81Å; W456-H460 AromaticContact CE2-ND1 3.78Å; W456-H460 AromaticContact NE1-CE1 3.34Å; W456-H460 PolarHBondContact NE1-CE1 3.12Å; W456-H460 VanDerWaalsContact NE1-CE1 3.34Å; W456-H460 AromaticContact NE1-ND1 3.75Å; W456-H460 PolarHBondContact O-N 2.79Å; W456-H460 PolarHBondContact O-ND1 3.46Å
457F92.9Very high79.2Confident20 Ų2048.6 Ų48.69%0.08824%0.243CC..Hα-helixtrans-64.3-47.5178.2-173.7-84.7000112.2L279 I282 E284 P285 C453 R454 A455 L459 H460 K461L279-F457 HydrophobicContact CD2-CD2 3.69Å; L279-F457 HydrophobicContact CD2-CE2 3.85Å; L279-F457 HydrophobicContact CD2-CG 4.49Å; I282-F457 WeakPolarHBondContact O-CE2 3.45Å; E284-F457 HydrophobicContact CB-CD1 4.24Å; E284-F457 HydrophobicContact CB-CE1 3.7Å; E284-F457 HydrophobicContact CB-CE2 4.44Å; E284-F457 HydrophobicContact CB-CZ 3.82Å; E284-F457 HydrophobicContact CG-CD1 3.64Å; E284-F457 HydrophobicContact CG-CE1 3.51Å; E284-F457 HydrophobicContact CG-CG 4.35Å; E284-F457 HydrophobicContact CG-CZ 4.14Å; P285-F457 HydrophobicContact CG-CB 3.84Å; P285-F457 HydrophobicContact CG-CG 4.3Å; C453-F457 WeakPolarHBondContact O-CB 3.45Å; C453-F457 PolarHBondContact O-N 3.41Å; R454-F457 PolarHBondContact O-N 3.16Å; A455-F457 VanDerWaalsContact C-N 3.28Å; A455-F457 PolarHBondContact O-N 2.95Å; F457-L459 VanDerWaalsContact C-N 3.28Å; F457-L459 PolarHBondContact O-N 3.35Å; F457-H460 PolarHBondContact O-N 2.88Å; F457-K461 HydrophobicContact CD1-CB 4.46Å; F457-K461 HydrophobicContact CD1-CD 4.19Å; F457-K461 HydrophobicContact CE1-CB 4.35Å; F457-K461 HydrophobicContact CE1-CD 3.76Å; F457-K461 HydrophobicContact CE1-CG 4.02Å; F457-K461 WeakPolarHBondContact O-CB 3.5Å; F457-K461 PolarHBondContact O-N 3Å
458Q92.9Very high76.2Confident17 Ų1751.8 Ų51.88%0.07928%0.277CS..Hα-helixtrans-62.5-35.1-179.4-62.4-47.3-3600112.5E284 F408 L409 L412 R416 R454 A455E284-Q458 PolarHBondContact OE1-NE2 2.77Å; F408-Q458 HydrophobicContact CE1-CB 4.41Å; L409-Q458 HydrophobicContact CD2-CB 4.48Å; L409-Q458 HydrophobicContact CD2-CG 4.3Å; L412-Q458 HydrophobicContact CD2-CB 3.72Å; R416-Q458 PolarHBondContact NH2-O 2.83Å; R454-Q458 WeakPolarHBondContact O-CG 3.48Å; R454-Q458 PolarHBondContact O-N 3.06Å; A455-Q458 PolarHBondContact O-N 3.26Å
459L91.2Very high73.3Confident24 Ų2462.9 Ų62.913%0.12632%0.32CS..Hα-helixtrans-59.2-47.7175.4178.160.5000111.5F408 L412 Y415 F425 A455 W456 F457F408-L459 HydrophobicContact CZ-CB 4.28Å; L412-L459 HydrophobicContact CD1-CB 4.42Å; L412-L459 HydrophobicContact CD1-CD1 3.64Å; Y415-L459 HydrophobicContact CD1-CD1 4.13Å; Y415-L459 HydrophobicContact CE1-CD1 3.88Å; F425-L459 HydrophobicContact CD1-CD2 3.73Å; F425-L459 HydrophobicContact CE1-CD2 3.89Å; A455-L459 PolarHBondContact O-N 3.48Å; W456-L459 PolarHBondContact O-N 3Å; F457-L459 VanDerWaalsContact C-N 3.28Å; F457-L459 PolarHBondContact O-N 3.35Å
460H88Confident70Confident39 Ų3964.6 Ų64.618%0.18135%0.35CS..Hα-helixtrans-85.4-16.5-174.2-62.782.9000114.1L279 W456 F457 A462L279-H460 HydrophobicContact CD1-CB 3.89Å; L279-H460 WeakPolarHBondContact CD1-O 3.45Å; L279-H460 HydrophobicContact CD2-CB 4.35Å; L279-H460 HydrophobicContact CG-CB 4.3Å; W456-H460 AromaticContact CD1-CE1 3.65Å; W456-H460 AromaticContact CD1-ND1 3.95Å; W456-H460 AromaticContact CE2-CE1 3.81Å; W456-H460 AromaticContact CE2-ND1 3.78Å; W456-H460 AromaticContact NE1-CE1 3.34Å; W456-H460 PolarHBondContact NE1-CE1 3.12Å; W456-H460 VanDerWaalsContact NE1-CE1 3.34Å; W456-H460 AromaticContact NE1-ND1 3.75Å; W456-H460 PolarHBondContact O-N 2.79Å; W456-H460 PolarHBondContact O-ND1 3.46Å; F457-H460 PolarHBondContact O-N 2.88Å; H460-A462 PolarHBondContact O-N 3.2Å
461K82.2Confident66.9Low78 Ų7874 Ų7434%0.33939%0.394SS..G310 helixtrans-57.2-17.8-177.7-167.7178.1-176.5176.50115.2E284 F457 H463E284-K461 IonicContact OE1-NZ 3.29Å; E284-K461 PolarHBondContact OE1-NZ 3.44Å; F457-K461 HydrophobicContact CD1-CB 4.46Å; F457-K461 HydrophobicContact CD1-CD 4.19Å; F457-K461 HydrophobicContact CE1-CB 4.35Å; F457-K461 HydrophobicContact CE1-CD 3.76Å; F457-K461 HydrophobicContact CE1-CG 4.02Å; F457-K461 WeakPolarHBondContact O-CB 3.5Å; F457-K461 PolarHBondContact O-N 3Å; K461-H463 PolarHBondContact O-N 3.03Å
462A57.1Low63.6Low62 Ų6279.5 Ų79.551%0.51243%0.431SS..G310 helixtrans-75.6-12.1-165.800000116.2H460H460-A462 PolarHBondContact O-N 3.2Å
463H51.9Low60.4Low124 Ų12486.9 Ų86.957%0.57447%0.471SS*.G310 helixtrans-85.7-7.5-175.9-74.5-59.3000115.7V276 K461V276-H463 HydrophobicContact CG1-CB 4.42Å; K461-H463 PolarHBondContact O-N 3.03Å
464T44.9Very low57.2Low82 Ų8294.6 Ų94.650%0.50351%0.512SS..SBendtrans-101.4-1.3-164.3-31.10000115.2
465L36.6Very low54.2Low152 Ų15299.5 Ų99.580%0.79655%0.545SS*.  trans-132.635.5-165.6-74.4172.1000115.4P467L465-P467 VanDerWaalsContact O-CD 3.29Å; L465-P467 WeakPolarHBondContact O-CD 3.36Å
466R31.7Very low51Low238 Ų238108.7 Ų108.790%0.89859%0.588SS**  trans-11484.8175.7-158178.9-164.2-1563.8113.2G468R466-G468 PolarHBondContact O-N 3.46Å
467P31.2Very low47.9Very low114 Ų114116.2 Ų116.274%0.7463%0.627SS**  trans-72.790.8169.830.7-33.2000109.9L465 Y469L465-P467 VanDerWaalsContact O-CD 3.29Å; L465-P467 WeakPolarHBondContact O-CD 3.36Å; P467-Y469 PolarHBondContact O-N 3.38Å
468G32.3Very low44.9Very low70 Ų70122.5 Ų122.572%0.72266%0.662SS**  trans-74.485178.900000112.8R466 G470R466-G468 PolarHBondContact O-N 3.46Å; G468-G470 PolarHBondContact O-N 2.82Å
469Y36Very low41.8Very low233 Ų233128.7 Ų128.791%0.91470%0.695SS**  trans-62.4127.6151.6-87.7-93.7000107.9P467P467-Y469 PolarHBondContact O-N 3.38Å
470G29Very low39.1Very low75 Ų75133.6 Ų133.677%0.77373%0.728SS**  trans-93.7141.2-170.900000112.7G468G468-G470 PolarHBondContact O-N 2.82Å
471E32.5Very low36.4Very low197 Ų197137.5 Ų137.592%0.92176%0.755SS**  trans-138.8133.3140.4-129.6171.3-155.700108.2
472C27.4Very low33.9Very low116 Ų116138.2 Ų138.278%0.78477%0.769SS**  trans-105.2125.3-170.5500000110.9
473N31.2Very low32.8Very low156 Ų156139.5 Ų139.583%0.83477%0.772SS**  trans-146.7147.1162-94.6-54.5000110.5
474N26.8Very low31.9Very low162 Ų162136.3 Ų136.387%0.86676%0.763SS**  trans-79.7123-160.3-59.6-71.4000113.6
475V33.3Very low31.1Very low129 Ų129138.8 Ų138.878%0.78277%0.772SS**  trans-138.1128.9150.9-176.40000108.2
476Q28Very low31Very low194 Ų194136.9 Ų136.991%0.90776%0.755SS**  trans-81.4125173.2-62.7167.1-70.300109.4
477L29.9Very low30.9Very low159 Ų159132.3 Ų132.383%0.83274%0.739SS**  trans-157.4149.9164.6-109.2153.1000111.2
478N28.6Very low30.7Very low152 Ų152135.9 Ų135.981%0.81375%0.745SS**  trans-86.2163.4-155.5-62-41.1000115.4
479N28.2Very low30.6Very low146 Ų146138 Ų13878%0.78174%0.739SS**  trans-15.6127.8168.7-78.4-5.9000118.3
480P34.5Very low30.3Very low127 Ų127131.5 Ų131.583%0.82573%0.728SS**  trans-84115.4145.132.6-27.3000110
481V31.5Very low30.4Very low121 Ų121136.2 Ų136.273%0.73373%0.73SS**  trans-76.3136.7171.3175.40000109.4P483V481-P483 WeakPolarHBondContact O-CD 2.89Å
482C29.3Very low30.2Very low94 Ų94134.2 Ų134.264%0.63573%0.725SS**  trans-113.599.8176.3-177.40000110.7
483P34.3Very low30.4Very low89 Ų89134.2 Ų134.258%0.57873%0.727SS**  trans-10177.4-17937.2-31.3000111.8V481 I485V481-P483 WeakPolarHBondContact O-CD 2.89Å; P483-I485 PolarHBondContact O-N 2.97Å
484S32.4Very low30.2Very low56 Ų56135.1 Ų135.139%0.39273%0.726SS.*  trans-84.647159.7520000110.8
485I28.7Very low30.3Very low134 Ų134136 Ų13669%0.68773%0.725SS**  trans-13889-176-52179.1000108.5P483 Y487P483-I485 PolarHBondContact O-N 2.97Å; I485-Y487 PolarHBondContact O-N 2.83Å
486Y33.5Very low30.1Very low113 Ų113136 Ų13644%0.44373%0.731SS.*  trans-88.5100.1161.9-79.4-91.1000108.7T383 V384 H424T383-Y486 PolarHBondContact O-OH 2.97Å; V384-Y486 WeakPolarHBondContact CA-OH 3.37Å; H424-Y486 AromaticContact CE1-CZ 3.86Å; H424-Y486 PolarHBondContact CE1-OH 3.47Å; H424-Y486 PolarHBondContact NE2-OH 3.06Å
487Y30.9Very low30.1Very low142 Ų142135.6 Ų135.656%0.55773%0.729SS**  trans31.5104153.7-54.3-76.7000118.8I485 I489I485-Y487 PolarHBondContact O-N 2.83Å; Y487-I489 HydrophobicContact CD1-CD1 3.64Å; Y487-I489 HydrophobicContact CD1-CG1 3.93Å; Y487-I489 HydrophobicContact CE1-CD1 3.83Å
488H27.3Very low29.8Very low188 Ų188133.8 Ų133.887%0.8773%0.728SS**  -101.7107.8120-102.6-69.1000106.8
489I29.6Very low29.8Very low114 Ų114132.8 Ų132.859%0.58573%0.727SS**  trans-123.1116.1159-67-179.8000106.2Y487 E491Y487-I489 HydrophobicContact CD1-CD1 3.64Å; Y487-I489 HydrophobicContact CD1-CG1 3.93Å; Y487-I489 HydrophobicContact CE1-CD1 3.83Å; I489-E491 HydrophobicContact CG2-CG 3.78Å
490S29.8Very low29.6Very low98 Ų98132.6 Ų132.669%0.68573%0.725SS**  trans-112.4109.7164.5-58.70000105.6N492S490-N492 PolarHBondContact O-N 3.44Å
491E30.3Very low29.3Very low174 Ų174133.3 Ų133.381%0.81372%0.721SS**  trans-74.994.4-177.2-63.3-167.2143.900110.5I489I489-E491 HydrophobicContact CG2-CG 3.78Å
492N28.3Very low29Very low154 Ų154137.8 Ų137.882%0.82473%0.725SS**  trans-93.591.7163.6-79.3-3.9000108.8S490S490-N492 PolarHBondContact O-N 3.44Å
493S31.4Very low29Very low117 Ų117142.1 Ų142.182%0.81873%0.733SS**  trans-74.8147161.2-71.40000110
494E27.9Very low28.5Very low175 Ų175143.4 Ų143.482%0.81874%0.744SS**  trans-85.5177.7-162.8-58.3179.2121.400114.7
495Q28Very low28.4Very low180 Ų180146.8 Ų146.884%0.84176%0.763SS**  trans91.489.2162.1-52.5175.828.900118.5
496S29.5Very low28.2Very low130 Ų130145.5 Ų145.591%0.90977%0.766SS**  -165.6153.4126.4-82.50000110.9
497E27.3Very low28.2Very low185 Ų185148.6 Ų148.686%0.86478%0.784SS**  trans-98.1153.6-169.3-58.4-177.1105.900114.4
498C23.6Very low28.2Very low121 Ų121146.5 Ų146.582%0.81879%0.79SS**  trans60.5151.1159.4-76.40000117.3
499V29.7Very low28.1Very low130 Ų130145 Ų14579%0.78879%0.788SS**  cis-137.4150.729.5167.60000111
500I24.6Very low28.2Very low143 Ų143147.1 Ų147.173%0.73380%0.8SS**  trans-70.3129.5171.2-60.8165000110.1R502I500-R502 HydrophobicContact CG2-CG 4.32Å
501N28.2Very low28.3Very low142 Ų142145.6 Ų145.676%0.75980%0.8SS**  trans-135.5113.9156.1-134.4-18.1000111.8
502R25Very low28.1Very low215 Ų215143.7 Ų143.781%0.81180%0.804SS**  trans-98.9123.3174.1-69.2176.6178.1161.2-1.2108.5I500I500-R502 HydrophobicContact CG2-CG 4.32Å
503F28.9Very low28.1Very low184 Ų184141.3 Ų141.381%0.80780%0.799SS**  trans-127.5104.5155.8-90.8-80.4000111.1
504S24Very low27.8Very low116 Ų116139.3 Ų139.381%0.81179%0.786SS**  trans-88.9122.5164.8-55.90000108.2
505V30.3Very low28Very low128 Ų128141.6 Ų141.678%0.77679%0.788SS**  trans-121115.4165.9-178.80000108.5
506S25Very low27.9Very low107 Ų107140.2 Ų140.275%0.74879%0.787SS**  trans-119.7114.7178.757.30000110
507Q33Very low28.1Very low178 Ų178142.3 Ų142.383%0.83278%0.782SS**  trans-165.2153.2169.4-101.7162.971.200107.9
508S30.6Very low28.2Very low97 Ų97141.4 Ų141.468%0.67878%0.783SS**  cis-176.7121-49.743.50000108.3
509L25.9Very low29Very low157 Ų157141.3 Ų141.382%0.82278%0.781SS**  trans41.7147.5149.2-81.3156.8000122.5
510N31.3Very low29.1Very low159 Ų159139.6 Ų139.685%0.8578%0.78SS**  trans81140.5170.3-44.7-31.9000115.6
511G30.6Very low29.4Very low65 Ų65139.8 Ų139.867%0.6778%0.781SS**  cis158.5140.2-11.800000113.5
512C27.2Very low29.6Very low135 Ų135140.1 Ų140.191%0.91278%0.783SS**  trans62.4162.9176.9-71.40000115.2
513S28.1Very low29.8Very low103 Ų103138.2 Ų138.272%0.7278%0.78SS**  cis-158.3173.2-20.141.50000109.9
514S26.2Very low29.9Very low76 Ų76134.4 Ų134.453%0.53177%0.772SS.*  trans-31.3150.5170.352.20000118
515Y30.7Very low30.3Very low223 Ų223136.1 Ų136.188%0.87577%0.767SS**  -168.1172.699.3-87-61.3000111.7
516N26.4Very low30.6Very low150 Ų150137.3 Ų137.380%0.80277%0.769SS**  trans-104.3-178.8-173.4-80.8-11.5000112.5
517E32.7Very low31Very low175 Ų175139.1 Ų139.182%0.81877%0.77SS**  trans93.687.9151.3-47.6-161.1173.100119.5
518N30.2Very low31.1Very low165 Ų165136.4 Ų136.488%0.88277%0.771SS**  55.4158.5113.8-79.90000123.2
519P39.7Very low31.2Very low120 Ų120138 Ų13878%0.77978%0.776SS**  trans-123.3168.7-145.443.3-32000117.4
520A32.6Very low31.5Very low93 Ų93137.7 Ų137.777%0.76978%0.776SS**  trans-162155.5165.200000107.5
521I30.1Very low31.4Very low147 Ų147138.5 Ų138.575%0.75477%0.774SS**  cis164.6159.1-16.3-101.3160.1000104.6
522L32.7Very low31.5Very low150 Ų150142.8 Ų142.879%0.78578%0.777SS**  trans82.4124.4-175.6-58.7142.6000113.9
523K29.1Very low31.9Very low174 Ų174143 Ų14376%0.75777%0.767SS**  74.6139.458.6-69.4-162.5177.2-1540112.5
524T32.5Very low31.9Very low105 Ų105143.9 Ų143.964%0.64477%0.768SS**  cis-138.5147.517.712.20000110.7
525E31.7Very low32.3Very low151 Ų151145.1 Ų145.171%0.70677%0.774SS**  56.6110.693.9-60.5168.9174.100115.4
526D36Very low32.2Very low154 Ų154140.5 Ų140.582%0.82477%0.769SS**  -178.4141117.8-93.4-9.9000115.5
527D34.5Very low32.6Very low144 Ų144139.2 Ų139.277%0.7776%0.761SS**  trans23.5125.3153.8-71.8-9.4000124.8
528S35.3Very low32.4Very low121 Ų121138 Ų13885%0.84676%0.76SS**  156.8159.697.6550000113.6
529V31.7Very low32.5Very low130 Ų130139.1 Ų139.179%0.78876%0.758SS**  trans-104.2142.6-170.9179.50000111.7
530N32Very low32Very low151 Ų151139.8 Ų139.881%0.80776%0.76SS**  trans-154118153.9-119.4-15.7000111.5
531E30.5Very low32.1Very low176 Ų176143.3 Ų143.382%0.82277%0.766SS**  trans-77.7135.7161.1-61.7-176.7123.600108.7
532H32.5Very low32.2Very low155 Ų155141 Ų14172%0.71876%0.762SS**  trans-155.8108.1159.6-104.7-65.6000114.3
533I35.4Very low32.4Very low140 Ų140140.8 Ų140.872%0.71876%0.762SS**  trans56.4122.9134.4-61.5-179.9000119.4
534V27.9Very low32.6Very low122 Ų122139.3 Ų139.374%0.73976%0.762SS**  trans-67.2129.6164.1177.30000111.1T536V534-T536 PolarHBondContact O-N 3.38Å
535P34.3Very low32.6Very low101 Ų101140.2 Ų140.266%0.65677%0.769SS**  trans-84.897.4171.832.9-32.1000111.4I537P535-I537 HydrophobicContact CB-CG1 4.25Å; P535-I537 WeakPolarHBondContact O-CG1 3.44Å; P535-I537 PolarHBondContact O-N 3.44Å
536T28.8Very low32.7Very low126 Ų126140.9 Ų140.977%0.77378%0.778SS**  trans-69121.6159.9-60.20000108.6V534V534-T536 PolarHBondContact O-N 3.38Å
537I34.6Very low32.5Very low123 Ų123138.6 Ų138.663%0.63177%0.774SS**  trans-125.896178.7-22179.5000110.7P535 F539P535-I537 HydrophobicContact CB-CG1 4.25Å; P535-I537 WeakPolarHBondContact O-CG1 3.44Å; P535-I537 PolarHBondContact O-N 3.44Å; I537-F539 HydrophobicContact CG2-CD2 3.7Å; I537-F539 HydrophobicContact CG2-CE2 3.96Å
538N27.2Very low32.5Very low150 Ų150139 Ų13980%0.80278%0.775SS**  trans-89.4116.7159.7-85.2-5.1000108.1
539F33.1Very low32.6Very low189 Ų189138.8 Ų138.883%0.82977%0.768SS**  trans-132.8113.9157.2-84.5-70.4000110I537I537-F539 HydrophobicContact CG2-CD2 3.7Å; I537-F539 HydrophobicContact CG2-CE2 3.96Å
540T30.3Very low32.8Very low133 Ų133138.1 Ų138.182%0.81676%0.764SS**  trans-84.2118.5163.149.10000108.6
541D33.2Very low33.3Very low167 Ų167138.5 Ų138.589%0.89376%0.761SS**  trans-159.1166.9135.2-114.7-34.9000112.2
542S32.1Very low33.9Very low98 Ų98134.4 Ų134.469%0.68574%0.742SS**  trans-83.4174.8-159.4-156.40000116.4
543L36.8Very low34.4Very low147 Ų147132.5 Ų132.577%0.7774%0.736SS**  trans77.3128.8172.5-45.1176.8000114.8
544D33.4Very low34.8Very low143 Ų143128 Ų12877%0.76571%0.712SS**  cis-138.9149.112.5-80.3-46.5000112.6
545P32.5Very low35.8Very low123 Ų123128 Ų12880%0.79970%0.704SS**  trans-104.162.3-175.440.8-35.5000114.8
546D35.3Very low36.4Very low166 Ų166131.4 Ų131.489%0.88871%0.712SS**SBendtrans-15234.7174.4-117.4-24.4000115
547S31.6Very low37.2Very low105 Ų105125.6 Ų125.673%0.73468%0.677SS**  trans-148.460.5175.2-154.30000113.5V549S547-V549 VanDerWaalsContact C-N 3.26Å; S547-V549 PolarHBondContact O-N 2.7Å
548I33.9Very low37.7Very low154 Ų154124.3 Ų124.379%0.7967%0.674SS**  trans-76.382.7173-55.5-179.5000109.3T550I548-T550 PolarHBondContact O-N 2.8Å; I548-T550 VanDerWaalsContact O-N 3.15Å
549V37.8Very low38.6Very low115 Ų115123 Ų12370%0.69766%0.663SS**  trans-53.4118.1151.9176.90000106.4S547 E551S547-V549 VanDerWaalsContact C-N 3.26Å; S547-V549 PolarHBondContact O-N 2.7Å; V549-E551 PolarHBondContact O-N 2.97Å
550T36.4Very low39.4Very low116 Ų116117.1 Ų117.171%0.71264%0.643SS**  trans-77.875.1-173.2-40.90000110.6I548 Q552I548-T550 PolarHBondContact O-N 2.8Å; I548-T550 VanDerWaalsContact O-N 3.15Å; T550-Q552 PolarHBondContact O-N 2.9Å; T550-Q552 VanDerWaalsContact O-N 3.09Å
551E42.5Very low40Very low160 Ų160116.8 Ų116.875%0.74864%0.643SS**  trans-58.6112.7163.7-66.9-160.1138.300108.2V549 I553V549-E551 PolarHBondContact O-N 2.97Å; E551-I553 PolarHBondContact O-N 3.03Å
552Q41.4Very low40.7Very low90 Ų90110.9 Ų110.942%0.42161%0.611SS.*  trans-76.972177.7-65.5-173.1-64.100109.5N343 T550 I554N343-Q552 PolarHBondContact ND2-OE1 3.47Å; T550-Q552 PolarHBondContact O-N 2.9Å; T550-Q552 VanDerWaalsContact O-N 3.09Å; Q552-I554 PolarHBondContact O-N 3.12Å
553I43.1Very low41.4Very low115 Ų115113.7 Ų113.759%0.5962%0.619SS**  trans-55.5123.9171.4-56.4177.4000107.8E551 E555E551-I553 PolarHBondContact O-N 3.03Å; I553-E555 HydrophobicContact CG2-CG 3.98Å; I553-E555 PolarHBondContact O-N 2.82Å
554I45.2Very low42Very low44 Ų44109.2 Ų109.223%0.22660%0.595CS.*  trans-79.475.2-179.8-52.8-173.5000109.6Y346 L445 Q552 V558Y346-I554 HydrophobicContact CD1-CD1 3.35Å; Y346-I554 HydrophobicContact CD1-CG1 4.31Å; Y346-I554 HydrophobicContact CD2-CD1 3.89Å; Y346-I554 HydrophobicContact CD2-CG1 4.48Å; Y346-I554 HydrophobicContact CE1-CD1 3.82Å; Y346-I554 HydrophobicContact CE1-CG1 4.33Å; Y346-I554 HydrophobicContact CE2-CD1 4.3Å; Y346-I554 HydrophobicContact CE2-CG1 4.5Å; Y346-I554 HydrophobicContact CG-CD1 3.37Å; Y346-I554 HydrophobicContact CG-CG1 4.37Å; L445-I554 HydrophobicContact CD1-CD1 3.47Å; L445-I554 VanDerWaalsContact CD1-CD1 3.47Å; L445-I554 HydrophobicContact CD1-CG1 4.34Å; Q552-I554 PolarHBondContact O-N 3.12Å; I554-V558 HydrophobicContact CG2-CG2 4.16Å
555E47.9Very low42.8Very low122 Ų122108.5 Ų108.557%0.5760%0.596SS**THydrogen-bonded Turntrans-76.2125.7166.2-59.8178.7140.700109.5K436 I553 G557K436-E555 IonicContact NZ-OE2 3.8Å; K436-E555 PolarHBondContact NZ-OE2 3.49Å; I553-E555 HydrophobicContact CG2-CG 3.98Å; I553-E555 PolarHBondContact O-N 2.82Å; E555-G557 PolarHBondContact O-N 2.89Å
556E48.1Very low43.5Very low174 Ų174107.2 Ų107.281%0.81358%0.583SS**THydrogen-bonded Turntrans58.639.2177.5-54.5-165.4135.500115.2
557G43.7Very low43.7Very low3 Ų3106.2 Ų106.23%0.03158%0.577CS.*  trans-131.212.3178.700000117G432 E555G432-G557 CarbonylContact C-O 3.36Å; G432-G557 VanDerWaalsContact C-O 3.28Å; G432-G557 CarbonylContact O-C 3.47Å; E555-G557 PolarHBondContact O-N 2.89Å
558V45.1Very low44.2Very low97 Ų97108.9 Ų108.959%0.58858%0.583SS**  trans-140.4104.5174-1750000112I554I554-V558 HydrophobicContact CG2-CG2 4.16Å
559E47Very low44.2Very low122 Ų122105.5 Ų105.557%0.5758%0.577SS**  trans-141.4138.4159.5-73.2-167.8135.700106K393K393-E559 IonicContact NZ-OE2 3.54Å; K393-E559 PolarHBondContact NZ-OE2 2.96Å; K393-E559 VanDerWaalsContact NZ-OE2 3.09Å
560V50Low44.2Very low66 Ų66107.9 Ų107.940%0.458%0.575SS.*  cis-147.1148.619.2-1790000108.1L562V560-L562 VanDerWaalsContact C-N 3.3Å; V560-L562 HydrophobicContact CB-CD2 3.86Å; V560-L562 HydrophobicContact CB-CG 3.96Å; V560-L562 HydrophobicContact CG1-CD2 3.72Å; V560-L562 HydrophobicContact CG1-CG 4.16Å; V560-L562 HydrophobicContact CG2-CD2 4.41Å; V560-L562 PolarHBondContact O-N 3.32Å
561P42.2Very low43.9Very low125 Ų125106.8 Ų106.881%0.81257%0.572SS**  trans-67.688.9158.1-7.724.5000109.1D563P561-D563 PolarHBondContact O-N 3.18Å
562L48.3Very low43.4Very low44 Ų44104.7 Ų104.723%0.2357%0.57CS.*  trans-80.2103.6178.4-66.7173.9000109.7K374 V560 D564K374-L562 HydrophobicContact CB-CD1 4.26Å; K374-L562 HydrophobicContact CD-CB 4.19Å; K374-L562 WeakPolarHBondContact CE-O 3.21Å; K374-L562 HydrophobicContact CG-CB 4.35Å; K374-L562 HydrophobicContact CG-CD1 4.37Å; K374-L562 PolarHBondContact NZ-O 3.27Å; V560-L562 VanDerWaalsContact C-N 3.3Å; V560-L562 HydrophobicContact CB-CD2 3.86Å; V560-L562 HydrophobicContact CB-CG 3.96Å; V560-L562 HydrophobicContact CG1-CD2 3.72Å; V560-L562 HydrophobicContact CG1-CG 4.16Å; V560-L562 HydrophobicContact CG2-CD2 4.41Å; V560-L562 PolarHBondContact O-N 3.32Å; L562-D564 PolarHBondContact O-N 2.89Å
563D47.2Very low43Very low157 Ų157105.6 Ų105.684%0.8459%0.586SS**  trans-67.480.8160.6-80.8-18.5000109.4P561 T565P561-D563 PolarHBondContact O-N 3.18Å; D563-T565 PolarHBondContact O-N 2.82Å
564D49.3Very low42.4Very low53 Ų53103.9 Ų103.928%0.28360%0.598SS.*  trans-73.793.3159.9-71.6-54000107.8K374 R396 R397 L562 D566K374-D564 VanDerWaalsContact CE-OD2 3.24Å; K374-D564 WeakPolarHBondContact CE-OD2 3.01Å; R396-D564 IonicContact CZ-OD1 3.72Å; R396-D564 IonicContact CZ-OD2 3.67Å; R396-D564 VanDerWaalsContact CZ-OD2 3.29Å; R396-D564 IonicContact NH1-OD1 3.57Å; R396-D564 PolarHBondContact NH1-OD1 2.91Å; R396-D564 IonicContact NH1-OD2 2.69Å; R396-D564 PolarHBondContact NH1-OD2 2.79Å; R396-D564 IonicContact NH2-OD1 3.93Å; R396-D564 IonicContact NH2-OD2 2.69Å; R396-D564 PolarHBondContact NH2-OD2 3.4Å; R397-D564 IonicContact NH2-OD1 3.83Å; R397-D564 PolarHBondContact NH2-OD1 2.69Å; L562-D564 PolarHBondContact O-N 2.89Å; D564-D566 PolarHBondContact O-N 3.06Å
565T51.2Low41.9Very low127 Ų127107.1 Ų107.178%0.77962%0.624SS**  trans-72.754.8161.355.80000110.4D563D563-T565 PolarHBondContact O-N 2.82Å
566D46.9Very low41.2Very low96 Ų96107.3 Ų107.351%0.51363%0.633SS.*  trans-98.369.3167.8-88.6-27.9000107.4R397 D564 L568R397-D566 IonicContact CZ-OD2 2.69Å; R397-D566 IonicContact NH1-OD2 3.39Å; R397-D566 PolarHBondContact NH1-OD2 3.37Å; R397-D566 IonicContact NH2-OD2 3.69Å; R397-D566 PolarHBondContact NH2-OD2 3.2Å; D564-D566 PolarHBondContact O-N 3.06Å; D566-L568 PolarHBondContact O-N 2.82Å
567D38.8Very low40.5Very low146 Ų146106.2 Ų106.278%0.78163%0.632SS**  trans-66.2101.3179.5-95.7-53.7000112
568L41.6Very low40Very low161 Ų161113.4 Ų113.484%0.84367%0.665SS**  trans-123.692.4155.8-82.4173.6000108.7D566 Y570D566-L568 PolarHBondContact O-N 2.82Å; L568-Y570 PolarHBondContact O-N 3.39Å
569A35.2Very low39.3Very low82 Ų82115.9 Ų115.968%0.67867%0.67SS**  trans-57.6106.1-173.100000112.7S571A569-S571 PolarHBondContact O-N 3.45Å
570Y36.4Very low38.7Very low166 Ų166117.2 Ų117.265%0.65168%0.681SS**  trans-76.368.8166.3-106.1-76.6000110.2L568 T572L568-Y570 PolarHBondContact O-N 3.39Å; Y570-T572 VanDerWaalsContact C-N 3.26Å; Y570-T572 PolarHBondContact O-N 3.02Å; Y570-T572 PolarHBondContact O-OG1 3.23Å
571S30.6Very low37.6Very low93 Ų93121.4 Ų121.465%0.6570%0.701SS**  trans-59.786173.5-62.50000110.4A569 S573A569-S571 PolarHBondContact O-N 3.45Å; S571-S573 PolarHBondContact O-N 3.12Å
572T31.8Very low37.1Very low115 Ų115123 Ų12371%0.70670%0.7SS**  trans-83.561.6-176.1-52.50000108.8Y570 G574Y570-T572 VanDerWaalsContact C-N 3.26Å; Y570-T572 PolarHBondContact O-N 3.02Å; Y570-T572 PolarHBondContact O-OG1 3.23Å; T572-G574 PolarHBondContact O-N 2.84Å
573S33.8Very low36.1Very low109 Ų109126.8 Ų126.876%0.76273%0.725SS**  trans-74.956.9-175.3-57.60000112.2S571 S575S571-S573 PolarHBondContact O-N 3.12Å; S573-S575 VanDerWaalsContact C-N 3.28Å; S573-S575 PolarHBondContact O-N 2.73Å; S573-S575 VanDerWaalsContact O-N 3.11Å
574G31.1Very low35.3Very low80 Ų80125.6 Ų125.683%0.82573%0.728SS**  trans-82.162.6175.100000112.6T572T572-G574 PolarHBondContact O-N 2.84Å
575S34.1Very low34.3Very low111 Ų111129 Ų12978%0.77675%0.75SS**  trans-144137.2166.1-165.10000111.8S573S573-S575 VanDerWaalsContact C-N 3.28Å; S573-S575 PolarHBondContact O-N 2.73Å; S573-S575 VanDerWaalsContact O-N 3.11Å
576V32.4Very low33.5Very low126 Ų126127.4 Ų127.476%0.76475%0.75SS**  trans-78.8137.9165.8177.90000107.9
577L34.3Very low32.9Very low151 Ų151127.5 Ų127.579%0.79176%0.758SS**  trans163.6101.1135.4-87.5169.6000112.2
578Q33.1Very low32.8Very low154 Ų154130 Ų13072%0.7277%0.765SS**  38.8110.1128.7-158.5158.511.400121.8
579E30.8Very low32.3Very low150 Ų150129.9 Ų129.970%0.70177%0.765SS**  trans45.9112.8135.5-56.8173.412700121.3
580N33.1Very low32.5Very low149 Ų149133.1 Ų133.180%0.79778%0.776SS**  167119.3122.9-85.4-56.6000109.5
581L27.9Very low32.6Very low155 Ų155128.3 Ų128.381%0.81278%0.777SS**  54.2119.593.7-122.777.9000113.1
582I32Very low32.9Very low157 Ų157129.2 Ų129.281%0.80578%0.783SS**  -156.3168.857.8-82.9165.6000111.9
583V27.4Very low33.4Very low124 Ų124130.2 Ų130.275%0.75279%0.789SS**  trans-108.4149-174.3172.80000113.3
584C29.9Very low34.1Very low133 Ų133130.2 Ų130.290%0.89979%0.787SS**  trans-170.5170.2142.3-110.30000113.8
585V29.1Very low34.4Very low124 Ų124134.3 Ų134.375%0.75279%0.786SS**  trans-143.1138.7-157.9178.90000114.7
586A33.1Very low34.5Very low94 Ų94133.1 Ų133.178%0.77778%0.777SS**  trans-169.2141.4147.200000108.4
587S34.7Very low34.9Very low97 Ų97133.1 Ų133.168%0.67878%0.778SS**  cis100.595.915-59.30000116.1
588Q36.6Very low35.1Very low198 Ų198130.8 Ų130.893%0.92577%0.774SS**  163.6141.5123.7-88.5170.615.600114.2
589D31.7Very low35.4Very low159 Ų159128.2 Ų128.285%0.8577%0.773SS**  trans-102.4164.2165.1-82.3-61.8000110.9
590V37.8Very low35.8Very low151 Ų151126.7 Ų126.792%0.91578%0.779SS**  trans171.8132.3132.7148.10000113.5
591G38.5Very low36.1Very low65 Ų65124.2 Ų124.267%0.6777%0.773SS**  trans106.8154.6156.500000117.8
592S38Very low36.5Very low111 Ų111123 Ų12378%0.77677%0.772SS**  cis-168.2112.1-4.3-95.40000115.5
593V42.2Very low36.8Very low137 Ų137121.1 Ų121.183%0.8377%0.768SS**  trans67.7172.7146.5-108.30000120.7
594P47.4Very low37.2Very low109 Ų109122.4 Ų122.471%0.70877%0.766SS**  -137.8-135.8-124.148.3-26.1000116.3
595M39.1Very low37.5Very low165 Ų165122 Ų12281%0.81376%0.755SS**  trans107.8142.3172.6-58-75.8-88.500113.6
596C36.3Very low37.9Very low86 Ų86121.3 Ų121.358%0.58175%0.75SS**  cis-163.6142.2-3.9-137.40000112.9
597T40.1Very low38Very low127 Ų127125.6 Ų125.678%0.77975%0.752SS**  trans49149.8143.757.20000122.1
598S38.8Very low38.1Very low101 Ų101128 Ų12871%0.70676%0.756SS**  cis-161.6160.630.5-53.80000115.2
599S39.1Very low38.1Very low101 Ų101123.6 Ų123.671%0.70675%0.747SS**  trans49.1111141.3590000122.1
600S39.1Very low38.3Very low117 Ų117119.4 Ų119.482%0.81874%0.742SS**  84.5150.679.276.10000115.3
601S39.5Very low38.4Very low98 Ų98120.3 Ų120.369%0.68574%0.74SS**  cis-161.515217.759.80000112.5
602V36.6Very low38.2Very low130 Ų130123 Ų12379%0.78874%0.739SS**  52.1138.9106.4-174.70000116.3
603T37.1Very low38.1Very low117 Ų117123.4 Ų123.472%0.71874%0.739SS**  cis-107-165.216.130.50000115.1
604Q36Very low38.3Very low151 Ų151124.4 Ų124.471%0.70674%0.738SS**  cis72.4141.825.8-60.1-171.1-86.700117.3
605D36.2Very low37.7Very low125 Ų125126.3 Ų126.367%0.66874%0.742SS**  cis-173.1176.3-5.6-104.13.7000108
606V37.3Very low37.4Very low109 Ų109126.1 Ų126.166%0.66174%0.741SS**  cis-173.7164.9-18.1138.70000106.9
607F36Very low37.5Very low184 Ų184132.1 Ų132.181%0.80776%0.757SS**  trans165.4125140-103.4-85.4000116
608L36.4Very low37.4Very low147 Ų147130.8 Ų130.877%0.7775%0.753SS**  trans32.2151.7142.4-63.8-172.7000124.1
609S36.4Very low37.5Very low106 Ų106135.2 Ų135.274%0.74176%0.763SS**  cis-170.2148.5-3.145.90000115.5
610G36.2Very low37.4Very low71 Ų71135.7 Ų135.773%0.73276%0.763SS**  trans91.6154.9154.300000117
611I39.3Very low37Very low170 Ų170138 Ų13887%0.87277%0.765SS**  cis-172.1154.22.1-111.9169.3000106.3
612N34.8Very low36.9Very low121 Ų121141.3 Ų141.365%0.64778%0.775SS**  cis-166.9129-1517466.3000110.2
613P36.8Very low36.8Very low120 Ų120142.1 Ų142.178%0.77978%0.775SS**  trans-102.2146.817636.7-29.8000113.9
614I45Very low36.8Very low157 Ų157142 Ų14281%0.80578%0.776SS**  trans-107.7104.3-178-61.1-179.4000112.7
615N35.3Very low36.9Very low150 Ų150142.6 Ų142.680%0.80278%0.778SS**  trans32.8151.8139.2-144.72.4000123.7
616M34Very low37Very low160 Ų160144.3 Ų144.379%0.78878%0.782SS**  trans-87.8169.9-174.7-50.7171.4174.600114.7
617K38.5Very low37.1Very low213 Ų213147.5 Ų147.593%0.92679%0.79SS**  -150.3156125-116.9173.5-176.2179.80112
618S36.9Very low37.3Very low99 Ų99145.8 Ų145.869%0.69279%0.788SS**  trans-141.4155.7-165.851.70000112.1
619Q41.6Very low37.5Very low194 Ų194143 Ų14391%0.90779%0.786SS**  trans-178164.8140.6-100.5174.1-3.100111.4
620P35.8Very low37.7Very low111 Ų111145.1 Ų145.172%0.72178%0.784SS**  trans-124.3168.9-152.444-33.9000118.3
621L30.8Very low38Very low164 Ų164149.6 Ų149.686%0.85978%0.784SS**  trans15.7128.5148.7-59.4172.4000121.3
622L37Very low38Very low169 Ų169151.7 Ų151.789%0.88578%0.782SS**  trans-159.8169.9140.7-116.2146.6000113.2
623N34.5Very low38.4Very low146 Ų146152.6 Ų152.678%0.78179%0.787SS**  trans-76.7168.1-153.7-67.9-14.7000118.1
624P37.8Very low38.7Very low114 Ų114152.4 Ų152.474%0.7479%0.788SS**  trans-101.2146.4169.837.9-31.8000114.7
625H38.3Very low38.5Very low165 Ų165155.6 Ų155.676%0.76479%0.79SS**  trans-176.3155.6140-121.6-110.9000112.3
626E38.6Very low39Very low161 Ų161153.8 Ų153.875%0.75279%0.787SS**  trans59.7161.4169-77.8130.7-140.200117
627E38.5Very low39.8Very low176 Ų176154.8 Ų154.882%0.82279%0.789SS**  cis-142.812416.2-168.7171.6-161.400114.1
628I41.6Very low40.3Very low147 Ų147156.4 Ų156.475%0.75481%0.808SS**  trans19.3132.6142.8-65169.7000123.1
629A39.4Very low40.5Very low89 Ų89159.3 Ų159.374%0.73681%0.814SS**  trans73.6130.2147.600000123.8
630E41.1Very low40.4Very low150 Ų150157.4 Ų157.470%0.70181%0.809SS**  -153136.2113.7-94.5-112109.400112.6
631K43.1Very low40.7Very low166 Ų166160 Ų16072%0.72281%0.814SS**  trans53.8109.4151.7-68.4169.8-179127.30122.5
632Y39.1Very low41.3Very low213 Ų213159.8 Ų159.884%0.83581%0.811SS**  trans-65.2151.7155.2-81.1-121.2000113.6
633N42.1Very low41.5Very low140 Ų140159.2 Ų159.275%0.74981%0.807SS**  151.2143.3108-94.5-39.5000115.1
634S43.7Very low42Very low116 Ų116160.1 Ų160.181%0.81181%0.808SS**  trans70.7148.6162.6-50.80000118.5
635R41.8Very low42.3Very low224 Ų224163.4 Ų163.485%0.84581%0.813SS**  cis-168.1139.2-31.8-165.1176.3-170.8-174.11.5106.6
636P44Very low42.6Very low113 Ų113163.2 Ų163.273%0.73482%0.817SS**  trans-91.2148.6-179.335.1-34.4000113.2
637E51.1Low43Very low180 Ų180163.4 Ų163.484%0.84182%0.823SS**  trans-171.689.9155.5-115.2165.2-138.200113
638N50Low43.4Very low247 Ų247162.3 Ų162.3100%1.32182%0.823SS**  trans170.50142.4-94.5-41.3000110.3

Retrieved 638 of 638 residues in 134.4 ms (Link to these results)

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