A0A5K4FCB6_SCHMA Loading...

DUF4471 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FCB6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 434 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
1M68.6Low81Confident184 Ų184101.6 Ų101.691%0.90650%0.496SS*.  0-58.20-162.9-171-124.500110.7E3 S4 T5M1-E3 VanDerWaalsContact C-N 3.33Å; M1-E3 PolarHBondContact O-N 2.87Å; M1-S4 WeakPolarHBondContact O-CB 3.42Å; M1-S4 PolarHBondContact O-N 2.74Å; M1-T5 PolarHBondContact O-N 3.4Å; M1-T5 PolarHBondContact O-OG1 2.79Å
2L80.3Confident80.2Confident124 Ų12495.9 Ų95.965%0.64948%0.483SS*.Hα-helixtrans-53.7-44.9179.4-174.366.1000113.5S4 T5 L6L2-S4 VanDerWaalsContact C-N 3.3Å; L2-S4 PolarHBondContact O-N 3.47Å; L2-T5 WeakPolarHBondContact O-CB 3.43Å; L2-T5 PolarHBondContact O-N 2.82Å; L2-T5 VanDerWaalsContact O-N 3.09Å; L2-L6 HydrophobicContact CG-CD1 4.2Å; L2-L6 HydrophobicContact CG-CG 4.41Å; L2-L6 WeakPolarHBondContact O-CG 2.81Å; L2-L6 PolarHBondContact O-N 2.89Å
3E83.1Confident78.6Confident124 Ų124101.2 Ų101.258%0.57951%0.514SS*.Hα-helixtrans-56.7-41.7177-171-168.2162.500112.7M1 T5 L6 K7M1-E3 VanDerWaalsContact C-N 3.33Å; M1-E3 PolarHBondContact O-N 2.87Å; E3-T5 VanDerWaalsContact C-N 3.33Å; E3-T5 PolarHBondContact O-N 3.3Å; E3-L6 PolarHBondContact O-N 2.73Å; E3-K7 HydrophobicContact CG-CD 4.47Å; E3-K7 WeakPolarHBondContact O-CB 3.41Å; E3-K7 WeakPolarHBondContact O-CG 3.48Å; E3-K7 PolarHBondContact O-N 3.19Å; E3-K7 WeakPolarHBondContact OE1-CE 3.37Å; E3-K7 IonicContact OE1-NZ 2.94Å; E3-K7 PolarHBondContact OE1-NZ 3.05Å
4S81.5Confident77.4Confident64 Ų64107.4 Ų107.445%0.44854%0.54SS..Hα-helixtrans-65.1-38.3177.3-500000111.6M1 L2 K7 F8 W104M1-S4 WeakPolarHBondContact O-CB 3.42Å; M1-S4 PolarHBondContact O-N 2.74Å; L2-S4 VanDerWaalsContact C-N 3.3Å; L2-S4 PolarHBondContact O-N 3.47Å; S4-K7 PolarHBondContact O-N 3.4Å; S4-F8 WeakPolarHBondContact O-CB 3.31Å; S4-F8 PolarHBondContact O-N 3.25Å; S4-W104 WeakPolarHBondContact O-CH2 3.36Å
5T83.7Confident76.7Confident23 Ų23101.3 Ų101.314%0.14151%0.511CS..Hα-helixtrans-64.2-46.7174.8-53.20000111.6M1 L2 E3 K7 F8 W9M1-T5 PolarHBondContact O-N 3.4Å; M1-T5 PolarHBondContact O-OG1 2.79Å; L2-T5 WeakPolarHBondContact O-CB 3.43Å; L2-T5 PolarHBondContact O-N 2.82Å; L2-T5 VanDerWaalsContact O-N 3.09Å; E3-T5 VanDerWaalsContact C-N 3.33Å; E3-T5 PolarHBondContact O-N 3.3Å; T5-K7 VanDerWaalsContact C-N 3.34Å; T5-K7 PolarHBondContact O-N 3.27Å; T5-F8 WeakPolarHBondContact O-CB 3.28Å; T5-F8 PolarHBondContact O-N 2.82Å; T5-W9 HydrophobicContact CG2-CD2 4.19Å; T5-W9 VanDerWaalsContact CG2-CE2 3.46Å; T5-W9 HydrophobicContact CG2-CH2 4.25Å; T5-W9 HydrophobicContact CG2-CZ2 3.51Å; T5-W9 VanDerWaalsContact O-CG 3.3Å; T5-W9 PolarHBondContact O-N 2.65Å
6L84.9Confident76.6Confident88 Ų88107.1 Ų107.146%0.46153%0.532SS..Hα-helixtrans-64.1-38.8177.1-64.5176.9000112L2 E3 F8 W9 R10L2-L6 HydrophobicContact CG-CD1 4.2Å; L2-L6 HydrophobicContact CG-CG 4.41Å; L2-L6 WeakPolarHBondContact O-CG 2.81Å; L2-L6 PolarHBondContact O-N 2.89Å; E3-L6 PolarHBondContact O-N 2.73Å; L6-F8 VanDerWaalsContact C-N 3.35Å; L6-W9 HydrophobicContact CD2-CE3 3.61Å; L6-W9 HydrophobicContact CD2-CZ3 3.67Å; L6-W9 PolarHBondContact O-N 2.85Å; L6-R10 PolarHBondContact O-N 2.82Å; L6-R10 VanDerWaalsContact O-N 3.08Å
7K84.2Confident77.1Confident131 Ų131101.8 Ų101.857%0.5751%0.505SS*.Hα-helixtrans-62.5-40.7172.9-76.2178.2-176.6172.30112E3 S4 T5 R10E3-K7 HydrophobicContact CG-CD 4.47Å; E3-K7 WeakPolarHBondContact O-CB 3.41Å; E3-K7 WeakPolarHBondContact O-CG 3.48Å; E3-K7 PolarHBondContact O-N 3.19Å; E3-K7 WeakPolarHBondContact OE1-CE 3.37Å; E3-K7 IonicContact OE1-NZ 2.94Å; E3-K7 PolarHBondContact OE1-NZ 3.05Å; S4-K7 PolarHBondContact O-N 3.4Å; T5-K7 VanDerWaalsContact C-N 3.34Å; T5-K7 PolarHBondContact O-N 3.27Å; K7-R10 WeakPolarHBondContact O-CB 3.49Å; K7-R10 PolarHBondContact O-N 3.44Å
8F84.6Confident77.6Confident4 Ų4100.8 Ų100.82%0.01850%0.502CS..Hα-helixtrans-64.5-41.5176.1177.6-90.1000112.3S4 T5 L6 R10 G11 T15 F17 R85 A88 W104S4-F8 WeakPolarHBondContact O-CB 3.31Å; S4-F8 PolarHBondContact O-N 3.25Å; T5-F8 WeakPolarHBondContact O-CB 3.28Å; T5-F8 PolarHBondContact O-N 2.82Å; L6-F8 VanDerWaalsContact C-N 3.35Å; F8-R10 VanDerWaalsContact C-N 3.31Å; F8-R10 PolarHBondContact O-N 3.09Å; F8-G11 PolarHBondContact O-N 3.24Å; F8-T15 HydrophobicContact CD2-CG2 3.61Å; F8-T15 HydrophobicContact CE2-CG2 4.12Å; F8-T15 HydrophobicContact CG-CG2 4.47Å; F8-F17 HydrophobicContact CZ-CB 3.88Å; F8-F17 HydrophobicContact CZ-CD2 4.38Å; F8-F17 HydrophobicContact CZ-CG 4.22Å; F8-R85 HydrophobicContact CE1-CB 4.46Å; F8-A88 HydrophobicContact CD1-CB 4.24Å; F8-A88 HydrophobicContact CE1-CB 3.38Å; F8-A88 HydrophobicContact CZ-CB 3.86Å; F8-W104 HydrophobicContact CB-CD2 4.26Å; F8-W104 HydrophobicContact CB-CE3 4.11Å; F8-W104 HydrophobicContact CB-CH2 3.58Å; F8-W104 HydrophobicContact CB-CZ2 3.68Å; F8-W104 HydrophobicContact CB-CZ3 3.78Å; F8-W104 HydrophobicContact CD1-CD2 4.24Å; F8-W104 AromaticContact CD1-CE3 3.74Å; F8-W104 HydrophobicContact CD1-CE3 3.74Å; F8-W104 AromaticContact CD1-CZ3 3.94Å; F8-W104 HydrophobicContact CD1-CZ3 3.94Å; F8-W104 HydrophobicContact CD2-CB 4.3Å; F8-W104 AromaticContact CD2-CD1 3.81Å; F8-W104 AromaticContact CD2-CD2 3.28Å; F8-W104 HydrophobicContact CD2-CD2 3.28Å; F8-W104 AromaticContact CD2-CE2 3.47Å; F8-W104 VanDerWaalsContact CD2-CE2 3.47Å; F8-W104 AromaticContact CD2-CE3 3.67Å; F8-W104 HydrophobicContact CD2-CE3 3.67Å; F8-W104 AromaticContact CD2-CG 3.55Å; F8-W104 HydrophobicContact CD2-CG 3.55Å; F8-W104 HydrophobicContact CD2-CH2 4.43Å; F8-W104 HydrophobicContact CD2-CZ2 4.07Å; F8-W104 HydrophobicContact CD2-CZ3 4.23Å; F8-W104 AromaticContact CD2-NE1 3.74Å; F8-W104 HydrophobicContact CE1-CD2 4.46Å; F8-W104 HydrophobicContact CE1-CE3 4.04Å; F8-W104 HydrophobicContact CE2-CB 3.56Å; F8-W104 AromaticContact CE2-CD1 3.78Å; F8-W104 AromaticContact CE2-CD2 3.49Å; F8-W104 HydrophobicContact CE2-CD2 3.49Å; F8-W104 VanDerWaalsContact CE2-CD2 3.49Å; F8-W104 AromaticContact CE2-CE3 3.91Å; F8-W104 HydrophobicContact CE2-CE3 3.91Å; F8-W104 AromaticContact CE2-CG 3.3Å; F8-W104 HydrophobicContact CE2-CG 3.3Å; F8-W104 AromaticContact CG-CD2 3.67Å; F8-W104 HydrophobicContact CG-CD2 3.67Å; F8-W104 AromaticContact CG-CE2 3.87Å; F8-W104 AromaticContact CG-CE3 3.56Å; F8-W104 HydrophobicContact CG-CE3 3.56Å; F8-W104 HydrophobicContact CG-CG 4.37Å; F8-W104 AromaticContact CG-CH2 3.99Å; F8-W104 HydrophobicContact CG-CH2 3.99Å; F8-W104 HydrophobicContact CG-CZ2 4.04Å; F8-W104 AromaticContact CG-CZ3 3.72Å; F8-W104 HydrophobicContact CG-CZ3 3.72Å; F8-W104 HydrophobicContact CZ-CB 3.86Å; F8-W104 HydrophobicContact CZ-CD2 4.08Å; F8-W104 HydrophobicContact CZ-CE3 4.06Å; F8-W104 AromaticContact CZ-CG 3.99Å; F8-W104 HydrophobicContact CZ-CG 3.99Å
9W84.4Confident78.2Confident106 Ų10697.2 Ų97.240%0.40249%0.489SS..Hα-helixtrans-64.7-34.3176.7-64.1-14.6000113T5 L6 G11 R85T5-W9 HydrophobicContact CG2-CD2 4.19Å; T5-W9 VanDerWaalsContact CG2-CE2 3.46Å; T5-W9 HydrophobicContact CG2-CH2 4.25Å; T5-W9 HydrophobicContact CG2-CZ2 3.51Å; T5-W9 VanDerWaalsContact O-CG 3.3Å; T5-W9 PolarHBondContact O-N 2.65Å; L6-W9 HydrophobicContact CD2-CE3 3.61Å; L6-W9 HydrophobicContact CD2-CZ3 3.67Å; L6-W9 PolarHBondContact O-N 2.85Å; W9-G11 PolarHBondContact O-N 3.1Å; W9-G11 VanDerWaalsContact O-N 3.15Å; W9-R85 VanDerWaalsContact CD1-O 3.25Å; W9-R85 PolarHBondContact NE1-O 3.1Å; W9-R85 VanDerWaalsContact NE1-O 3.09Å
10R83.4Confident78.8Confident229 Ų22998.2 Ų98.286%0.86450%0.5SS*.Hα-helixtrans-60-23.2176.7-166.6174.8-179.11800.4113.1L6 K7 F8L6-R10 PolarHBondContact O-N 2.82Å; L6-R10 VanDerWaalsContact O-N 3.08Å; K7-R10 WeakPolarHBondContact O-CB 3.49Å; K7-R10 PolarHBondContact O-N 3.44Å; F8-R10 VanDerWaalsContact C-N 3.31Å; F8-R10 PolarHBondContact O-N 3.09Å
11G72.5Confident79.4Confident41 Ų41100.2 Ų100.242%0.42351%0.505SS..  trans78.4112.617400000113.3F8 W9F8-G11 PolarHBondContact O-N 3.24Å; W9-G11 PolarHBondContact O-N 3.1Å; W9-G11 VanDerWaalsContact O-N 3.15Å
12G70.8Confident80.5Confident33 Ų3392 Ų9234%0.3447%0.466SS..  trans-129.3165.116600000111.5E14 T15G12-E14 PolarHBondContact O-N 3.48Å; G12-E14 VanDerWaalsContact O-N 3.11Å; G12-T15 PolarHBondContact N-OG1 3.07Å; G12-T15 VanDerWaalsContact N-OG1 3.08Å; G12-T15 PolarHBondContact O-N 3.33Å; G12-T15 PolarHBondContact O-OG1 3.22Å
13D59.8Low81.1Confident165 Ų16587 Ų8788%0.88244%0.438SS*.THydrogen-bonded Turntrans-57.4-27.8-177.4-71.8-29000113.7T15D13-T15 VanDerWaalsContact C-N 3.27Å; D13-T15 PolarHBondContact O-N 3.3Å
14E62.1Low81.6Confident187 Ų18783.4 Ų83.487%0.87442%0.423SS*.THydrogen-bonded Turntrans-76.7-5.917759.3-161.7176.400114.4G12G12-E14 PolarHBondContact O-N 3.48Å; G12-E14 VanDerWaalsContact O-N 3.11Å
15T66.3Low82.1Confident17 Ų1786.2 Ų86.210%0.10443%0.425CS..  trans-111.454.7-17464.50000112.6F8 G12 D13 F17 R85F8-T15 HydrophobicContact CD2-CG2 3.61Å; F8-T15 HydrophobicContact CE2-CG2 4.12Å; F8-T15 HydrophobicContact CG-CG2 4.47Å; G12-T15 PolarHBondContact N-OG1 3.07Å; G12-T15 VanDerWaalsContact N-OG1 3.08Å; G12-T15 PolarHBondContact O-N 3.33Å; G12-T15 PolarHBondContact O-OG1 3.22Å; D13-T15 VanDerWaalsContact C-N 3.27Å; D13-T15 PolarHBondContact O-N 3.3Å; T15-F17 PolarHBondContact O-N 3.24Å; T15-R85 PolarHBondContact O-NH1 2.78Å; T15-R85 PolarHBondContact OG1-NH1 3.46Å
16K75.8Confident82.5Confident194 Ų19488 Ų8884%0.84343%0.429SS*.  trans-70.7111.4172-68.6-172.9-179.4-178.10109.6
17F84.2Confident83Confident17 Ų1784.2 Ų84.28%0.07541%0.409CS..  trans-106.997.4175.5-177.5-123.9000109.9F8 T15 A19 P83 N84 A88F8-F17 HydrophobicContact CZ-CB 3.88Å; F8-F17 HydrophobicContact CZ-CD2 4.38Å; F8-F17 HydrophobicContact CZ-CG 4.22Å; T15-F17 PolarHBondContact O-N 3.24Å; F17-A19 HydrophobicContact CD1-CB 4.4Å; F17-A19 HydrophobicContact CE1-CB 3.79Å; F17-A19 HydrophobicContact CZ-CB 4.03Å; F17-A19 PolarHBondContact O-N 3.24Å; F17-P83 HydrophobicContact CD1-CB 3.91Å; F17-P83 HydrophobicContact CD1-CG 4.43Å; F17-P83 HydrophobicContact CE1-CB 4.21Å; F17-P83 WeakPolarHBondContact O-CG 3.38Å; F17-N84 WeakPolarHBondContact CE1-O 3.4Å; F17-A88 HydrophobicContact CD1-CB 4.26Å; F17-A88 HydrophobicContact CD2-CB 3.87Å; F17-A88 HydrophobicContact CE1-CB 4.08Å; F17-A88 HydrophobicContact CE2-CB 3.68Å; F17-A88 HydrophobicContact CG-CB 4.17Å; F17-A88 HydrophobicContact CZ-CB 3.79Å
18D87Confident83.5Confident84 Ų8483.7 Ų83.745%0.44940%0.403SS..  trans-89.792.1172-175.7-12.4000109V20 K21 C22D18-V20 VanDerWaalsContact C-N 3.26Å; D18-V20 PolarHBondContact O-N 3.32Å; D18-V20 PolarHBondContact OD1-N 3.34Å; D18-K21 HydrophobicContact CB-CB 4.04Å; D18-K21 VanDerWaalsContact CG-CB 3.42Å; D18-K21 PolarHBondContact O-N 2.91Å; D18-K21 PolarHBondContact OD1-N 3.23Å; D18-K21 VanDerWaalsContact OD2-CB 3.3Å; D18-K21 WeakPolarHBondContact OD2-CB 3.33Å; D18-C22 WeakPolarHBondContact O-CB 3.39Å; D18-C22 PolarHBondContact O-N 2.91Å; D18-C22 PolarHBondContact O-SG 2.86Å
19A88.8Confident83.9Confident32 Ų3290.7 Ų90.726%0.26443%0.434SS..Hα-helixtrans-59.5-38.3-178.600000112.1F17 C22 W23 P83F17-A19 HydrophobicContact CD1-CB 4.4Å; F17-A19 HydrophobicContact CE1-CB 3.79Å; F17-A19 HydrophobicContact CZ-CB 4.03Å; F17-A19 PolarHBondContact O-N 3.24Å; A19-C22 PolarHBondContact O-N 3.26Å; A19-W23 VanDerWaalsContact O-CB 3.3Å; A19-W23 WeakPolarHBondContact O-CB 3.3Å; A19-W23 PolarHBondContact O-N 2.87Å; A19-P83 HydrophobicContact CB-CB 3.66Å
20V90.3Very high84.3Confident117 Ų11787.6 Ų87.671%0.70942%0.424SS*.Hα-helixtrans-64-48.9-178.5-179.90000109.9D18 W23 D24D18-V20 VanDerWaalsContact C-N 3.26Å; D18-V20 PolarHBondContact O-N 3.32Å; D18-V20 PolarHBondContact OD1-N 3.34Å; V20-W23 PolarHBondContact O-N 3.15Å; V20-D24 WeakPolarHBondContact O-CB 3.25Å; V20-D24 PolarHBondContact O-N 2.96Å
21K91.1Very high84.7Confident141 Ų14177 Ų7761%0.61338%0.384SS*.Hα-helixtrans-65.8-39.8177.9-174.2176-177.7175.30112.6D18 W23 Y25D18-K21 HydrophobicContact CB-CB 4.04Å; D18-K21 VanDerWaalsContact CG-CB 3.42Å; D18-K21 PolarHBondContact O-N 2.91Å; D18-K21 PolarHBondContact OD1-N 3.23Å; D18-K21 VanDerWaalsContact OD2-CB 3.3Å; D18-K21 WeakPolarHBondContact OD2-CB 3.33Å; K21-W23 VanDerWaalsContact C-N 3.34Å; K21-Y25 WeakPolarHBondContact O-CB 3.4Å; K21-Y25 PolarHBondContact O-N 3.16Å
22C90.6Very high85.7Confident10 Ų1077 Ų777%0.06839%0.385CS..Hα-helixtrans-63.6-40.3176.1-72.20000111.9D18 A19 R26D18-C22 WeakPolarHBondContact O-CB 3.39Å; D18-C22 PolarHBondContact O-N 2.91Å; D18-C22 PolarHBondContact O-SG 2.86Å; A19-C22 PolarHBondContact O-N 3.26Å; C22-R26 VanDerWaalsContact O-CG 3.27Å; C22-R26 WeakPolarHBondContact O-CG 3.4Å; C22-R26 PolarHBondContact O-N 3.14Å
23W92.9Very high86.8Confident21 Ų2182 Ų828%0.0841%0.409CS..Hα-helixtrans-67.5-48.6177.5-168.6-92.6000111.8A19 V20 K21 Y25 R26 L27 R67 Q68 G70 Y106 I110A19-W23 VanDerWaalsContact O-CB 3.3Å; A19-W23 WeakPolarHBondContact O-CB 3.3Å; A19-W23 PolarHBondContact O-N 2.87Å; V20-W23 PolarHBondContact O-N 3.15Å; K21-W23 VanDerWaalsContact C-N 3.34Å; W23-Y25 VanDerWaalsContact C-N 3.31Å; W23-Y25 PolarHBondContact O-N 2.75Å; W23-R26 WeakPolarHBondContact O-CA 3.14Å; W23-R26 WeakPolarHBondContact O-CB 3.19Å; W23-R26 PolarHBondContact O-N 3.17Å; W23-L27 PolarHBondContact O-N 3.04Å; W23-R67 PolarHBondContact NE1-O 2.8Å; W23-Q68 PolarHBondContact NE1-O 2.83Å; W23-G70 VanDerWaalsContact CH2-CA 3.46Å; W23-G70 VanDerWaalsContact CZ2-CA 3.44Å; W23-Y106 AromaticContact CE3-CD1 3.63Å; W23-Y106 HydrophobicContact CE3-CD1 3.63Å; W23-Y106 AromaticContact CE3-CE1 3.84Å; W23-Y106 HydrophobicContact CE3-CE1 3.84Å; W23-Y106 HydrophobicContact CE3-CG 4.18Å; W23-Y106 HydrophobicContact CH2-CE1 4.02Å; W23-Y106 AromaticContact CZ3-CD1 3.52Å; W23-Y106 HydrophobicContact CZ3-CD1 3.52Å; W23-Y106 AromaticContact CZ3-CE1 3.2Å; W23-Y106 HydrophobicContact CZ3-CE1 3.2Å; W23-Y106 HydrophobicContact CZ3-CE2 4.36Å; W23-Y106 HydrophobicContact CZ3-CG 4.23Å; W23-Y106 AromaticContact CZ3-CZ 3.65Å; W23-I110 HydrophobicContact CD2-CG2 4.48Å; W23-I110 HydrophobicContact CE3-CG2 4.21Å; W23-I110 HydrophobicContact CH2-CB 4.01Å; W23-I110 HydrophobicContact CH2-CG2 3.67Å; W23-I110 HydrophobicContact CZ2-CB 3.99Å; W23-I110 HydrophobicContact CZ2-CG2 3.95Å; W23-I110 HydrophobicContact CZ3-CG2 3.84Å
24D93.6Very high88.4Confident48 Ų4879.1 Ų79.126%0.25739%0.385SS..Hα-helixtrans-55.4-44.9175.4177.478.4000111.9V20 R26 L27 R28 Y35V20-D24 WeakPolarHBondContact O-CB 3.25Å; V20-D24 PolarHBondContact O-N 2.96Å; D24-R26 VanDerWaalsContact C-N 3.31Å; D24-R26 PolarHBondContact O-N 3.39Å; D24-L27 PolarHBondContact O-N 3.05Å; D24-R28 WeakPolarHBondContact O-CG 3.33Å; D24-R28 PolarHBondContact O-N 3.18Å; D24-R28 IonicContact OD1-CZ 2.64Å; D24-R28 IonicContact OD1-NE 2.72Å; D24-R28 PolarHBondContact OD1-NE 3.21Å; D24-R28 IonicContact OD1-NH2 3.27Å; D24-R28 PolarHBondContact OD1-NH2 3.09Å; D24-R28 IonicContact OD2-CZ 3.48Å; D24-R28 IonicContact OD2-NE 3.46Å; D24-R28 PolarHBondContact OD2-NE 3.07Å; D24-R28 IonicContact OD2-NH2 3.45Å; D24-R28 PolarHBondContact OD2-NH2 3.26Å; D24-Y35 PolarHBondContact OD1-OH 2.97Å
25Y92.8Very high89.9Confident123 Ų12372.2 Ų72.248%0.48235%0.352SS..Hα-helixtrans-60-40.7175.6178.9-97.1000112.5K21 W23 K29K21-Y25 WeakPolarHBondContact O-CB 3.4Å; K21-Y25 PolarHBondContact O-N 3.16Å; W23-Y25 VanDerWaalsContact C-N 3.31Å; W23-Y25 PolarHBondContact O-N 2.75Å; Y25-K29 WeakPolarHBondContact O-CB 3.4Å; Y25-K29 PolarHBondContact O-N 2.88Å; Y25-K29 VanDerWaalsContact O-N 3.13Å
26R93Very high91.2Very high61 Ų6178.3 Ų78.323%0.2338%0.384CS..Hα-helixtrans-64.8-44.4176-71.1-83-71.3144.6-3.5111C22 W23 D24 K29 H30 Y106 G108 I110C22-R26 VanDerWaalsContact O-CG 3.27Å; C22-R26 WeakPolarHBondContact O-CG 3.4Å; C22-R26 PolarHBondContact O-N 3.14Å; W23-R26 WeakPolarHBondContact O-CA 3.14Å; W23-R26 WeakPolarHBondContact O-CB 3.19Å; W23-R26 PolarHBondContact O-N 3.17Å; D24-R26 VanDerWaalsContact C-N 3.31Å; D24-R26 PolarHBondContact O-N 3.39Å; R26-K29 PolarHBondContact O-N 3.31Å; R26-H30 WeakPolarHBondContact O-CB 3.27Å; R26-H30 PolarHBondContact O-N 3.11Å; R26-Y106 WeakPolarHBondContact CD-O 3.37Å; R26-Y106 PolarHBondContact NE-O 3Å; R26-G108 PolarHBondContact NH2-O 3.08Å; R26-I110 HydrophobicContact CB-CD1 4.12Å; R26-I110 HydrophobicContact CB-CG2 4.39Å
27L94Very high92.1Very high7 Ų771 Ų714%0.03736%0.359CS..Hα-helixtrans-60.8-48.7177.1-75177.5000112.1W23 D24 K29 H30 L31 Y35 F42 I110W23-L27 PolarHBondContact O-N 3.04Å; D24-L27 PolarHBondContact O-N 3.05Å; L27-K29 VanDerWaalsContact C-N 3.3Å; L27-K29 PolarHBondContact O-N 3.39Å; L27-H30 PolarHBondContact O-N 3.29Å; L27-L31 WeakPolarHBondContact O-CB 3.26Å; L27-L31 PolarHBondContact O-N 2.79Å; L27-Y35 HydrophobicContact CB-CD2 4.35Å; L27-Y35 HydrophobicContact CB-CE2 4.08Å; L27-F42 HydrophobicContact CD2-CZ 4.14Å; L27-I110 HydrophobicContact CD2-CD1 4.39Å
28R94.9Very high92.5Very high121 Ų12171.4 Ų71.446%0.45736%0.362SS..Hα-helixtrans-58-43.2177.1-71.4177.3-169.2-80.4-9.9112.2D24 G32 Y35D24-R28 WeakPolarHBondContact O-CG 3.33Å; D24-R28 PolarHBondContact O-N 3.18Å; D24-R28 IonicContact OD1-CZ 2.64Å; D24-R28 IonicContact OD1-NE 2.72Å; D24-R28 PolarHBondContact OD1-NE 3.21Å; D24-R28 IonicContact OD1-NH2 3.27Å; D24-R28 PolarHBondContact OD1-NH2 3.09Å; D24-R28 IonicContact OD2-CZ 3.48Å; D24-R28 IonicContact OD2-NE 3.46Å; D24-R28 PolarHBondContact OD2-NE 3.07Å; D24-R28 IonicContact OD2-NH2 3.45Å; D24-R28 PolarHBondContact OD2-NH2 3.26Å; R28-G32 WeakPolarHBondContact O-CA 3.11Å; R28-G32 PolarHBondContact O-N 2.99Å; R28-Y35 HydrophobicContact CB-CD2 4.17Å; R28-Y35 HydrophobicContact CB-CE2 4.46Å; R28-Y35 HydrophobicContact CG-CD1 4.26Å; R28-Y35 HydrophobicContact CG-CD2 3.49Å; R28-Y35 VanDerWaalsContact CG-CD2 3.49Å; R28-Y35 HydrophobicContact CG-CE1 4.27Å; R28-Y35 HydrophobicContact CG-CE2 3.44Å; R28-Y35 VanDerWaalsContact CG-CE2 3.44Å; R28-Y35 HydrophobicContact CG-CG 3.92Å; R28-Y35 PolarHBondContact NH2-OH 3.14Å
29K93.1Very high92.8Very high150 Ų15071.6 Ų71.665%0.65237%0.368SS*.Hα-helixtrans-67.9-37.4179.9-174.2172.5-179.11730112.5Y25 R26 L27Y25-K29 WeakPolarHBondContact O-CB 3.4Å; Y25-K29 PolarHBondContact O-N 2.88Å; Y25-K29 VanDerWaalsContact O-N 3.13Å; R26-K29 PolarHBondContact O-N 3.31Å; L27-K29 VanDerWaalsContact C-N 3.3Å; L27-K29 PolarHBondContact O-N 3.39Å
30H92.8Very high93.1Very high42 Ų4275.9 Ų75.919%0.19439%0.386CS..Hα-helixtrans-77.1-47-179.5169.460000112.4R26 L27 R67 I110 I111 E389R26-H30 WeakPolarHBondContact O-CB 3.27Å; R26-H30 PolarHBondContact O-N 3.11Å; L27-H30 PolarHBondContact O-N 3.29Å; H30-R67 PolarHBondContact NE2-NH1 3.27Å; H30-R67 PolarHBondContact NE2-NH2 3.5Å; H30-I110 HydrophobicContact CB-CD1 3.84Å; H30-I111 WeakPolarHBondContact CE1-CD1 3.35Å; H30-E389 IonicContact CE1-OE1 3.93Å; H30-E389 PolarHBondContact CE1-OE1 2.88Å; H30-E389 IonicContact ND1-OE1 3.86Å; H30-E389 PolarHBondContact ND1-OE1 3.28Å
31L92.8Very high93.3Very high5 Ų571 Ų713%0.02636%0.356CS..Hα-helixtrans-79.4-27.9-177.5-64.4177000113L27 T33 R34 Y35 I38 V41 F42L27-L31 WeakPolarHBondContact O-CB 3.26Å; L27-L31 PolarHBondContact O-N 2.79Å; L31-T33 PolarHBondContact O-N 3.32Å; L31-R34 HydrophobicContact CB-CB 4.4Å; L31-R34 WeakPolarHBondContact O-CB 3.3Å; L31-R34 PolarHBondContact O-N 3.08Å; L31-Y35 HydrophobicContact CD1-CD2 4.38Å; L31-I38 HydrophobicContact CD1-CD1 4.36Å; L31-I38 HydrophobicContact CD1-CG1 3.63Å; L31-V41 HydrophobicContact CD2-CG1 3.84Å; L31-F42 HydrophobicContact CD1-CE1 4.01Å; L31-F42 HydrophobicContact CD1-CZ 4.42Å
32G93.9Very high93.5Very high43 Ų4364.3 Ų64.344%0.44333%0.328SS..G310 helixtrans58.2-123.2-177.400000111.3R28 R34 Y35R28-G32 WeakPolarHBondContact O-CA 3.11Å; R28-G32 PolarHBondContact O-N 2.99Å; G32-R34 PolarHBondContact O-N 3.21Å; G32-Y35 VanDerWaalsContact O-CB 3.22Å; G32-Y35 WeakPolarHBondContact O-CB 3.42Å; G32-Y35 PolarHBondContact O-N 3.23Å
33T93.4Very high93.6Very high137 Ų13767.3 Ų67.384%0.8434%0.343SS*.G310 helixtrans-65-21.2178.254.40000113.6L31 Y35L31-T33 PolarHBondContact O-N 3.32Å; T33-Y35 PolarHBondContact O-N 2.86Å
34R93Very high93.7Very high105 Ų10573.8 Ų73.840%0.39637%0.367SS..G310 helixtrans-78.9-4.4178.2-58.2-174.6-69.8157.5-2.8113.2L31 G32 D36 A37 V41L31-R34 HydrophobicContact CB-CB 4.4Å; L31-R34 WeakPolarHBondContact O-CB 3.3Å; L31-R34 PolarHBondContact O-N 3.08Å; G32-R34 PolarHBondContact O-N 3.21Å; R34-D36 PolarHBondContact O-N 3.34Å; R34-A37 CarbonylContact O-C 3.52Å; R34-A37 PolarHBondContact O-N 3.2Å; R34-V41 HydrophobicContact CB-CG2 3.87Å
35Y93.8Very high93.7Very high42 Ų4272 Ų7217%0.16536%0.358CS..G310 helixtrans-57.4-36.6-179.4179.6-89.5000112.3D24 L27 R28 L31 G32 T33 A37 I38D24-Y35 PolarHBondContact OD1-OH 2.97Å; L27-Y35 HydrophobicContact CB-CD2 4.35Å; L27-Y35 HydrophobicContact CB-CE2 4.08Å; R28-Y35 HydrophobicContact CB-CD2 4.17Å; R28-Y35 HydrophobicContact CB-CE2 4.46Å; R28-Y35 HydrophobicContact CG-CD1 4.26Å; R28-Y35 HydrophobicContact CG-CD2 3.49Å; R28-Y35 VanDerWaalsContact CG-CD2 3.49Å; R28-Y35 HydrophobicContact CG-CE1 4.27Å; R28-Y35 HydrophobicContact CG-CE2 3.44Å; R28-Y35 VanDerWaalsContact CG-CE2 3.44Å; R28-Y35 HydrophobicContact CG-CG 3.92Å; R28-Y35 PolarHBondContact NH2-OH 3.14Å; L31-Y35 HydrophobicContact CD1-CD2 4.38Å; G32-Y35 VanDerWaalsContact O-CB 3.22Å; G32-Y35 WeakPolarHBondContact O-CB 3.42Å; G32-Y35 PolarHBondContact O-N 3.23Å; T33-Y35 PolarHBondContact O-N 2.86Å; Y35-A37 PolarHBondContact O-N 3.05Å; Y35-I38 HydrophobicContact CD2-CD1 3.88Å; Y35-I38 HydrophobicContact CE1-CD1 4.4Å; Y35-I38 HydrophobicContact CE2-CD1 3.63Å; Y35-I38 HydrophobicContact CG-CD1 4.37Å; Y35-I38 VanDerWaalsContact O-CD1 3.28Å; Y35-I38 WeakPolarHBondContact O-CD1 3.49Å; Y35-I38 WeakPolarHBondContact O-CG1 2.96Å; Y35-I38 PolarHBondContact O-N 2.77Å
36D94.2Very high93.7Very high145 Ų14566.1 Ų66.178%0.77534%0.335SS*.G310 helixtrans-72-14.1179-59.9-33.6000112.9R34R34-D36 PolarHBondContact O-N 3.34Å
37A94.1Very high93.6Very high40 Ų4065.3 Ų65.333%0.33134%0.338SS..G310 helixtrans-10925.2179.500000113R34 Y35 P39 N40 V41R34-A37 CarbonylContact O-C 3.52Å; R34-A37 PolarHBondContact O-N 3.2Å; Y35-A37 PolarHBondContact O-N 3.05Å; A37-P39 VanDerWaalsContact C-CD 3.45Å; A37-N40 PolarHBondContact O-N 3.11Å; A37-V41 HydrophobicContact CB-CG2 4.41Å; A37-V41 WeakPolarHBondContact O-CG2 3.42Å; A37-V41 PolarHBondContact O-N 3.27Å
38I93.1Very high93.5Very high26 Ų2668.4 Ų68.413%0.13335%0.354CS..Hα-helixtrans-38.3-54.4179.7-86.5160.6000114.8L31 Y35 N40 V41 F42L31-I38 HydrophobicContact CD1-CD1 4.36Å; L31-I38 HydrophobicContact CD1-CG1 3.63Å; Y35-I38 HydrophobicContact CD2-CD1 3.88Å; Y35-I38 HydrophobicContact CE1-CD1 4.4Å; Y35-I38 HydrophobicContact CE2-CD1 3.63Å; Y35-I38 HydrophobicContact CG-CD1 4.37Å; Y35-I38 VanDerWaalsContact O-CD1 3.28Å; Y35-I38 WeakPolarHBondContact O-CD1 3.49Å; Y35-I38 WeakPolarHBondContact O-CG1 2.96Å; Y35-I38 PolarHBondContact O-N 2.77Å; I38-N40 VanDerWaalsContact C-N 3.27Å; I38-N40 PolarHBondContact O-N 2.88Å; I38-V41 PolarHBondContact O-N 2.8Å; I38-F42 HydrophobicContact CB-CZ 4.44Å; I38-F42 HydrophobicContact CG1-CE1 4.45Å; I38-F42 HydrophobicContact CG1-CZ 4.09Å; I38-F42 HydrophobicContact CG2-CD2 3.69Å; I38-F42 HydrophobicContact CG2-CE1 4.34Å; I38-F42 HydrophobicContact CG2-CE2 3.35Å; I38-F42 HydrophobicContact CG2-CG 4.32Å; I38-F42 HydrophobicContact CG2-CZ 3.7Å; I38-F42 WeakPolarHBondContact O-CG 3.47Å; I38-F42 PolarHBondContact O-N 3.17Å
39P92.8Very high93.3Very high88 Ų8863.8 Ų63.857%0.57134%0.339SS*.Hα-helixtrans-60.7-38.3-174.721.8-33.5000112.3A37 D43A37-P39 VanDerWaalsContact C-CD 3.45Å; P39-D43 WeakPolarHBondContact O-CB 3.45Å; P39-D43 PolarHBondContact O-N 3.05Å; P39-D43 VanDerWaalsContact O-N 3.13Å
40N94.4Very high93.2Very high121 Ų12156.7 Ų56.765%0.64731%0.309SS*.Hα-helixtrans-73.8-37.7179.9-63.2-12.6000111.5A37 I38 W44A37-N40 PolarHBondContact O-N 3.11Å; I38-N40 VanDerWaalsContact C-N 3.27Å; I38-N40 PolarHBondContact O-N 2.88Å; N40-W44 VanDerWaalsContact O-CB 3.23Å; N40-W44 WeakPolarHBondContact O-CB 3.5Å; N40-W44 PolarHBondContact O-N 2.83Å
41V94.1Very high93.1Very high14 Ų1457.9 Ų57.99%0.08531%0.314CS..Hα-helixtrans-67.7-43.7178.91800000110.8L31 R34 A37 I38 W44 D45L31-V41 HydrophobicContact CD2-CG1 3.84Å; R34-V41 HydrophobicContact CB-CG2 3.87Å; A37-V41 HydrophobicContact CB-CG2 4.41Å; A37-V41 WeakPolarHBondContact O-CG2 3.42Å; A37-V41 PolarHBondContact O-N 3.27Å; I38-V41 PolarHBondContact O-N 2.8Å; V41-W44 PolarHBondContact O-N 2.73Å; V41-D45 WeakPolarHBondContact O-CB 3.39Å; V41-D45 PolarHBondContact O-N 3.08Å
42F95.1Very high93Very high2 Ų262.9 Ų62.91%0.00934%0.341CS..Hα-helixtrans-68.3-40.4-179.1-66.7-4.5000111.8L27 L31 I38 C46 Y63 A64 R67 Q68L27-F42 HydrophobicContact CD2-CZ 4.14Å; L31-F42 HydrophobicContact CD1-CE1 4.01Å; L31-F42 HydrophobicContact CD1-CZ 4.42Å; I38-F42 HydrophobicContact CB-CZ 4.44Å; I38-F42 HydrophobicContact CG1-CE1 4.45Å; I38-F42 HydrophobicContact CG1-CZ 4.09Å; I38-F42 HydrophobicContact CG2-CD2 3.69Å; I38-F42 HydrophobicContact CG2-CE1 4.34Å; I38-F42 HydrophobicContact CG2-CE2 3.35Å; I38-F42 HydrophobicContact CG2-CG 4.32Å; I38-F42 HydrophobicContact CG2-CZ 3.7Å; I38-F42 WeakPolarHBondContact O-CG 3.47Å; I38-F42 PolarHBondContact O-N 3.17Å; F42-C46 PolarHBondContact O-N 3.39Å; F42-C46 VanDerWaalsContact O-N 3.17Å; F42-Y63 WeakPolarHBondContact O-CD1 3.42Å; F42-A64 HydrophobicContact CB-CB 4.11Å; F42-A64 HydrophobicContact CD2-CB 4.21Å; F42-R67 HydrophobicContact CD1-CB 4.04Å; F42-R67 HydrophobicContact CD1-CG 4.28Å; F42-R67 HydrophobicContact CD2-CB 3.51Å; F42-R67 HydrophobicContact CD2-CG 4.35Å; F42-R67 HydrophobicContact CE1-CB 3.88Å; F42-R67 HydrophobicContact CE1-CG 4.4Å; F42-R67 HydrophobicContact CE2-CB 3.31Å; F42-R67 HydrophobicContact CE2-CG 4.47Å; F42-R67 HydrophobicContact CG-CB 3.89Å; F42-R67 HydrophobicContact CG-CG 4.26Å; F42-R67 HydrophobicContact CZ-CB 3.53Å; F42-Q68 HydrophobicContact CE2-CB 4.15Å
43D94.6Very high92.8Very high73 Ų7361.2 Ų61.239%0.3932%0.321SS..Hα-helixtrans-62.3-47.7173.8-173.765000110.9P39 D45 C46 S47 S60P39-D43 WeakPolarHBondContact O-CB 3.45Å; P39-D43 PolarHBondContact O-N 3.05Å; P39-D43 VanDerWaalsContact O-N 3.13Å; D43-D45 PolarHBondContact O-N 3.19Å; D43-C46 PolarHBondContact O-N 3.31Å; D43-C46 VanDerWaalsContact O-N 3.17Å; D43-S47 WeakPolarHBondContact O-CB 3.48Å; D43-S47 PolarHBondContact O-N 3.15Å; D43-S47 PolarHBondContact O-OG 3.2Å; D43-S60 WeakPolarHBondContact OD1-CB 3.28Å; D43-S60 PolarHBondContact OD1-OG 3.33Å
44W93.6Very high92.5Very high157 Ų15760.7 Ų60.760%0.59531%0.307SS*.Hα-helixtrans-58.9-48.3177.5-178.9-78.4000113.1N40 V41 C46 I48 T49N40-W44 VanDerWaalsContact O-CB 3.23Å; N40-W44 WeakPolarHBondContact O-CB 3.5Å; N40-W44 PolarHBondContact O-N 2.83Å; V41-W44 PolarHBondContact O-N 2.73Å; W44-C46 PolarHBondContact O-N 3.41Å; W44-I48 HydrophobicContact CD2-CD1 3.46Å; W44-I48 VanDerWaalsContact CD2-CD1 3.46Å; W44-I48 HydrophobicContact CE3-CD1 3.21Å; W44-I48 HydrophobicContact CG-CD1 4.25Å; W44-I48 HydrophobicContact CH2-CD1 3.47Å; W44-I48 VanDerWaalsContact CH2-CD1 3.47Å; W44-I48 HydrophobicContact CZ2-CD1 3.71Å; W44-I48 HydrophobicContact CZ2-CG2 4.21Å; W44-I48 HydrophobicContact CZ3-CD1 3.22Å; W44-I48 WeakPolarHBondContact O-CB 3.18Å; W44-I48 PolarHBondContact O-N 2.95Å; W44-I48 VanDerWaalsContact O-N 3.09Å; W44-T49 PolarHBondContact O-N 2.95Å
45D93.6Very high92.3Very high10 Ų1055.8 Ų55.85%0.05329%0.289CS..Iπ-helixtrans-55.6-38.5177.5-73.2-10.1000110.6V41 D43 T49 L50 Y63 R67 V388V41-D45 WeakPolarHBondContact O-CB 3.39Å; V41-D45 PolarHBondContact O-N 3.08Å; D43-D45 PolarHBondContact O-N 3.19Å; D45-T49 VanDerWaalsContact O-CB 3.31Å; D45-T49 WeakPolarHBondContact O-CB 3.42Å; D45-T49 PolarHBondContact O-N 3.07Å; D45-L50 PolarHBondContact O-N 3.24Å; D45-Y63 HydrophobicContact CB-CE1 3.85Å; D45-R67 IonicContact OD2-CZ 2.76Å; D45-R67 IonicContact OD2-NH2 3.45Å; D45-R67 PolarHBondContact OD2-NH2 3.03Å; D45-V388 HydrophobicContact CB-CG1 3.99Å; D45-V388 WeakPolarHBondContact OD1-CG1 3.42Å
46C93.6Very high92.1Very high0 Ų056.4 Ų56.40%030%0.297CS..Iπ-helixtrans-79.7-61.3179.3-169.60000112.9F42 D43 W44 I48 L50 H51 Y63F42-C46 PolarHBondContact O-N 3.39Å; F42-C46 VanDerWaalsContact O-N 3.17Å; D43-C46 PolarHBondContact O-N 3.31Å; D43-C46 VanDerWaalsContact O-N 3.17Å; W44-C46 PolarHBondContact O-N 3.41Å; C46-I48 VanDerWaalsContact C-N 3.27Å; C46-I48 PolarHBondContact O-N 3.43Å; C46-L50 WeakPolarHBondContact O-CB 3.45Å; C46-L50 PolarHBondContact O-N 2.8Å; C46-H51 PolarHBondContact O-CD2 3Å; C46-H51 PolarHBondContact O-N 3.35Å; C46-H51 VanDerWaalsContact O-N 3.14Å; C46-Y63 HydrophobicContact CB-CD1 3.6Å; C46-Y63 HydrophobicContact CB-CE1 4.15Å; C46-Y63 HydrophobicContact CB-CG 4.1Å
47S91.5Very high92Very high44 Ų4450.5 Ų50.531%0.30827%0.265SS..Iπ-helixtrans-70.7-21.3-168.5660000113.6D43 H51D43-S47 WeakPolarHBondContact O-CB 3.48Å; D43-S47 PolarHBondContact O-N 3.15Å; D43-S47 PolarHBondContact O-OG 3.2Å; S47-H51 WeakPolarHBondContact O-CB 3.29Å
48I90.7Very high91.9Very high71 Ų7148.6 Ų48.636%0.36425%0.249SC..Iπ-helixtrans-112.9-59.7178.6-66.4163.9000109.8W44 C46 D52W44-I48 HydrophobicContact CD2-CD1 3.46Å; W44-I48 VanDerWaalsContact CD2-CD1 3.46Å; W44-I48 HydrophobicContact CE3-CD1 3.21Å; W44-I48 HydrophobicContact CG-CD1 4.25Å; W44-I48 HydrophobicContact CH2-CD1 3.47Å; W44-I48 VanDerWaalsContact CH2-CD1 3.47Å; W44-I48 HydrophobicContact CZ2-CD1 3.71Å; W44-I48 HydrophobicContact CZ2-CG2 4.21Å; W44-I48 HydrophobicContact CZ3-CD1 3.22Å; W44-I48 WeakPolarHBondContact O-CB 3.18Å; W44-I48 PolarHBondContact O-N 2.95Å; W44-I48 VanDerWaalsContact O-N 3.09Å; C46-I48 VanDerWaalsContact C-N 3.27Å; C46-I48 PolarHBondContact O-N 3.43Å; I48-D52 WeakPolarHBondContact O-CB 3.01Å; I48-D52 PolarHBondContact O-N 2.9Å
49T90.7Very high91.8Very high24 Ų2451 Ų5115%0.14726%0.262CS..Iπ-helixtrans-70.8-49-171.6-54.40000113.1W44 D45 R53 V388W44-T49 PolarHBondContact O-N 2.95Å; D45-T49 VanDerWaalsContact O-CB 3.31Å; D45-T49 WeakPolarHBondContact O-CB 3.42Å; D45-T49 PolarHBondContact O-N 3.07Å; T49-R53 VanDerWaalsContact CG2-CZ 3.42Å; T49-R53 WeakPolarHBondContact O-CD 3.32Å; T49-R53 VanDerWaalsContact O-CG 3.22Å; T49-R53 WeakPolarHBondContact O-CG 3.38Å; T49-V388 HydrophobicContact CG2-CB 4.26Å; T49-V388 HydrophobicContact CG2-CG1 3.9Å; T49-V388 HydrophobicContact CG2-CG2 4.45Å
50L92Very high91.8Very high1 Ų148.1 Ų48.11%0.00525%0.245CC..Iπ-helixtrans-71.8-39178.9-66.7178.5000112.3D45 C46 R53 V55 I58 Y63 L116 V388D45-L50 PolarHBondContact O-N 3.24Å; C46-L50 WeakPolarHBondContact O-CB 3.45Å; C46-L50 PolarHBondContact O-N 2.8Å; L50-R53 CarbonylContact O-C 3.51Å; L50-R53 WeakPolarHBondContact O-CA 3.44Å; L50-R53 WeakPolarHBondContact O-CB 3.1Å; L50-R53 PolarHBondContact O-N 3.26Å; L50-R53 VanDerWaalsContact O-N 3.15Å; L50-V55 HydrophobicContact CB-CB 4.3Å; L50-V55 WeakPolarHBondContact O-CB 3.39Å; L50-V55 PolarHBondContact O-N 3.03Å; L50-I58 HydrophobicContact CD1-CD1 4.46Å; L50-Y63 HydrophobicContact CD1-CD2 4.09Å; L50-Y63 HydrophobicContact CD1-CE2 3.82Å; L50-L116 HydrophobicContact CD2-CD2 4.26Å; L50-V388 HydrophobicContact CD2-CG2 4.39Å
51H90.9Very high91.7Very high67 Ų6750.3 Ų50.331%0.3125%0.248SC..Hα-helixtrans-67.7-38.1179.3-74.8-156.2000112.7C46 S47 R53 K54 V55 T56 I58C46-H51 PolarHBondContact O-CD2 3Å; C46-H51 PolarHBondContact O-N 3.35Å; C46-H51 VanDerWaalsContact O-N 3.14Å; S47-H51 WeakPolarHBondContact O-CB 3.29Å; H51-R53 PolarHBondContact O-N 3.01Å; H51-K54 PolarHBondContact O-N 3.13Å; H51-V55 PolarHBondContact CD2-O 2.77Å; H51-T56 HydrophobicContact CB-CG2 4.49Å; H51-I58 PolarHBondContact NE2-O 3.32Å
52D90Very high91.6Very high111 Ų11151.3 Ų51.359%0.59425%0.252SS*.Hα-helixtrans-60.8-27.6172.2-175.356.9000112.1I48 K54I48-D52 WeakPolarHBondContact O-CB 3.01Å; I48-D52 PolarHBondContact O-N 2.9Å; D52-K54 PolarHBondContact O-N 2.94Å
53R90.4Very high91.6Very high8 Ų851.2 Ų51.23%0.0325%0.252CS..THydrogen-bonded Turntrans-89.221176.1-61.1163.7177.8-171.13.5113T49 L50 H51 V55 L385 Y386 I387 V390T49-R53 VanDerWaalsContact CG2-CZ 3.42Å; T49-R53 WeakPolarHBondContact O-CD 3.32Å; T49-R53 VanDerWaalsContact O-CG 3.22Å; T49-R53 WeakPolarHBondContact O-CG 3.38Å; L50-R53 CarbonylContact O-C 3.51Å; L50-R53 WeakPolarHBondContact O-CA 3.44Å; L50-R53 WeakPolarHBondContact O-CB 3.1Å; L50-R53 PolarHBondContact O-N 3.26Å; L50-R53 VanDerWaalsContact O-N 3.15Å; H51-R53 PolarHBondContact O-N 3.01Å; R53-V55 PolarHBondContact O-N 3.09Å; R53-L385 HydrophobicContact CB-CD1 4.09Å; R53-L385 HydrophobicContact CB-CG 4.49Å; R53-L385 WeakPolarHBondContact CD-O 3.35Å; R53-L385 HydrophobicContact CG-CD1 4.04Å; R53-L385 PolarHBondContact NE-O 3.44Å; R53-L385 PolarHBondContact NH1-O 2.85Å; R53-Y386 PolarHBondContact NH1-O 3Å; R53-I387 VanDerWaalsContact CZ-O 3.3Å; R53-I387 PolarHBondContact NH1-O 3.45Å; R53-I387 PolarHBondContact NH2-O 3.49Å; R53-V390 PolarHBondContact NH2-O 3.47Å
54K87Confident91.6Very high125 Ų12548.9 Ų48.954%0.54324%0.242SC..THydrogen-bonded Turntrans63.315.8179.3-50.8-169.2-176.5-169.20115.6H51 D52 T56 E421H51-K54 PolarHBondContact O-N 3.13Å; D52-K54 PolarHBondContact O-N 2.94Å; K54-T56 PolarHBondContact O-N 2.91Å; K54-E421 HydrophobicContact CD-CG 4.17Å; K54-E421 IonicContact NZ-OE1 3.24Å; K54-E421 PolarHBondContact NZ-OE1 2.98Å; K54-E421 IonicContact NZ-OE2 3.3Å
55V89.1Confident91.6Very high2 Ų243.9 Ų43.91%0.01223%0.226CC..  trans-92.784.8173.9-178.10000108.8L50 H51 R53 I58 L116 I120 Y386L50-V55 HydrophobicContact CB-CB 4.3Å; L50-V55 WeakPolarHBondContact O-CB 3.39Å; L50-V55 PolarHBondContact O-N 3.03Å; H51-V55 PolarHBondContact CD2-O 2.77Å; R53-V55 PolarHBondContact O-N 3.09Å; V55-I58 HydrophobicContact CG1-CB 4.29Å; V55-I58 HydrophobicContact CG1-CD1 3.45Å; V55-I58 VanDerWaalsContact CG1-CD1 3.45Å; V55-I58 HydrophobicContact CG1-CG1 3.66Å; V55-L116 HydrophobicContact CG1-CD2 3.95Å; V55-L116 HydrophobicContact CG2-CD2 4.11Å; V55-I120 HydrophobicContact CG1-CG2 3.59Å; V55-I120 HydrophobicContact CG2-CG2 4.38Å; V55-Y386 HydrophobicContact CG2-CD1 3.99Å; V55-Y386 HydrophobicContact CG2-CE1 3.26Å
56T89.7Confident91.7Very high55 Ų5544 Ų4434%0.33723%0.225SC..  trans-103-10.4-174.655.10000113.1H51 K54 I58 H136H51-T56 HydrophobicContact CB-CG2 4.49Å; K54-T56 PolarHBondContact O-N 2.91Å; T56-I58 VanDerWaalsContact C-N 3.33Å; T56-H136 VanDerWaalsContact C-CE1 3.48Å; T56-H136 PolarHBondContact O-CE1 2.87Å; T56-H136 VanDerWaalsContact O-CE1 3.29Å; T56-H136 PolarHBondContact O-ND1 2.85Å; T56-H136 PolarHBondContact OG1-CE1 3.36Å
57Q91Very high91.7Very high21 Ų2144 Ų4410%0.09823%0.225CC..SBendtrans-71-28.6178.5-64.179.12.500112.3N59 I143Q57-N59 PolarHBondContact O-N 3.13Å; Q57-I143 HydrophobicContact CB-CD1 4.02Å; Q57-I143 HydrophobicContact CG-CD1 3.95Å
58I92.2Very high91.8Very high1 Ų146.1 Ų46.11%0.00523%0.231CC..SBendtrans-77121.6180-58.1178.9000109.4L50 H51 V55 T56 Y63 Y115 L116 I120 A140L50-I58 HydrophobicContact CD1-CD1 4.46Å; H51-I58 PolarHBondContact NE2-O 3.32Å; V55-I58 HydrophobicContact CG1-CB 4.29Å; V55-I58 HydrophobicContact CG1-CD1 3.45Å; V55-I58 VanDerWaalsContact CG1-CD1 3.45Å; V55-I58 HydrophobicContact CG1-CG1 3.66Å; T56-I58 VanDerWaalsContact C-N 3.33Å; I58-Y63 HydrophobicContact CG2-CD2 4.45Å; I58-Y63 HydrophobicContact CG2-CG 4.5Å; I58-Y115 HydrophobicContact CG2-CD2 4.14Å; I58-L116 HydrophobicContact CD1-CD2 3.73Å; I58-L116 HydrophobicContact CD1-CG 4.06Å; I58-I120 HydrophobicContact CD1-CG2 4.44Å; I58-A140 HydrophobicContact CG1-CB 3.92Å
59N90.8Very high91.8Very high75 Ų7549 Ų4940%0.40124%0.237SC..  trans-79.6136.7174-174.6-14.1000110.7Q57 K61 E62 Y63Q57-N59 PolarHBondContact O-N 3.13Å; N59-K61 PolarHBondContact O-N 3.31Å; N59-K61 VanDerWaalsContact O-N 3.15Å; N59-K61 PolarHBondContact OD1-N 2.93Å; N59-E62 HydrophobicContact CB-CB 4.44Å; N59-E62 HydrophobicContact CB-CG 4.22Å; N59-E62 PolarHBondContact O-N 3.44Å; N59-E62 VanDerWaalsContact O-N 3.08Å; N59-Y63 PolarHBondContact O-N 3.2Å
60S92.2Very high91.9Very high29 Ų2949.2 Ų49.220%0.20325%0.245CC..Hα-helixtrans-51.9-36.9174.4177.10000112.4D43 A64D43-S60 WeakPolarHBondContact OD1-CB 3.28Å; D43-S60 PolarHBondContact OD1-OG 3.33Å; S60-A64 WeakPolarHBondContact O-CB 3.47Å; S60-A64 PolarHBondContact O-N 3.26Å
61K92.6Very high91.8Very high166 Ų16651.6 Ų51.672%0.72226%0.257SS*.Hα-helixtrans-64.3-46.6177-67.1-177.3-178.6177.20113.2N59 H65N59-K61 PolarHBondContact O-N 3.31Å; N59-K61 VanDerWaalsContact O-N 3.15Å; N59-K61 PolarHBondContact OD1-N 2.93Å; K61-H65 VanDerWaalsContact O-CB 3.27Å; K61-H65 WeakPolarHBondContact O-CB 3.12Å; K61-H65 PolarHBondContact O-N 3.08Å
62E92.9Very high91.8Very high35 Ų3549.1 Ų49.116%0.16425%0.247CC..Hα-helixtrans-68.1-40.4-179.9-68-178.7137.800110.9N59 W66 Y115 A139 S141N59-E62 HydrophobicContact CB-CB 4.44Å; N59-E62 HydrophobicContact CB-CG 4.22Å; N59-E62 PolarHBondContact O-N 3.44Å; N59-E62 VanDerWaalsContact O-N 3.08Å; E62-W66 WeakPolarHBondContact O-CB 3.24Å; E62-W66 PolarHBondContact O-N 3Å; E62-Y115 HydrophobicContact CB-CE2 4.07Å; E62-Y115 PolarHBondContact O-OH 3.09Å; E62-A139 WeakPolarHBondContact OE1-CB 3.47Å; E62-S141 WeakPolarHBondContact OE1-CB 3.38Å; E62-S141 PolarHBondContact OE1-OG 3.45Å
63Y94.7Very high91.8Very high0 Ų048 Ų480%024%0.237CC..Hα-helixtrans-65.2-47.1176.2-177-105.1000111.8F42 D45 C46 L50 I58 N59 H65 W66 R67 I111F42-Y63 WeakPolarHBondContact O-CD1 3.42Å; D45-Y63 HydrophobicContact CB-CE1 3.85Å; C46-Y63 HydrophobicContact CB-CD1 3.6Å; C46-Y63 HydrophobicContact CB-CE1 4.15Å; C46-Y63 HydrophobicContact CB-CG 4.1Å; L50-Y63 HydrophobicContact CD1-CD2 4.09Å; L50-Y63 HydrophobicContact CD1-CE2 3.82Å; I58-Y63 HydrophobicContact CG2-CD2 4.45Å; I58-Y63 HydrophobicContact CG2-CG 4.5Å; N59-Y63 PolarHBondContact O-N 3.2Å; Y63-H65 VanDerWaalsContact C-N 3.34Å; Y63-H65 PolarHBondContact O-N 3.46Å; Y63-W66 HydrophobicContact CD2-CE3 4.44Å; Y63-W66 HydrophobicContact CE2-CE3 4.33Å; Y63-W66 HydrophobicContact CE2-CZ3 4.26Å; Y63-W66 PolarHBondContact O-N 3.24Å; Y63-R67 HydrophobicContact CD1-CG 4.07Å; Y63-R67 HydrophobicContact CD2-CG 4.44Å; Y63-R67 HydrophobicContact CE1-CG 3.74Å; Y63-R67 HydrophobicContact CE2-CG 4.1Å; Y63-R67 HydrophobicContact CG-CG 4.43Å; Y63-R67 WeakPolarHBondContact O-CB 3.29Å; Y63-R67 VanDerWaalsContact O-CG 3.24Å; Y63-R67 WeakPolarHBondContact O-CG 3.22Å; Y63-R67 PolarHBondContact O-N 2.85Å; Y63-I111 WeakPolarHBondContact CE2-O 3.48Å; Y63-I111 PolarHBondContact OH-O 2.92Å
64A94.8Very high91.6Very high24 Ų2453.2 Ų53.220%0.19826%0.262CS..Hα-helixtrans-62-42.2177.200000111.7F42 S60 R67 Q68F42-A64 HydrophobicContact CB-CB 4.11Å; F42-A64 HydrophobicContact CD2-CB 4.21Å; S60-A64 WeakPolarHBondContact O-CB 3.47Å; S60-A64 PolarHBondContact O-N 3.26Å; A64-R67 PolarHBondContact O-N 3.13Å; A64-Q68 VanDerWaalsContact O-CB 3.22Å; A64-Q68 WeakPolarHBondContact O-CB 3.49Å; A64-Q68 PolarHBondContact O-N 3.4Å
65H93.7Very high91.4Very high52 Ų5253.1 Ų53.124%0.24127%0.267CS..Hα-helixtrans-61.4-46.9176.6-172.587.4000111.7K61 Y63 Q68 Y69 M71 E74K61-H65 VanDerWaalsContact O-CB 3.27Å; K61-H65 WeakPolarHBondContact O-CB 3.12Å; K61-H65 PolarHBondContact O-N 3.08Å; Y63-H65 VanDerWaalsContact C-N 3.34Å; Y63-H65 PolarHBondContact O-N 3.46Å; H65-Q68 PolarHBondContact O-N 3.07Å; H65-Y69 AromaticContact CE1-CD2 3.47Å; H65-Y69 VanDerWaalsContact CE1-CD2 3.47Å; H65-Y69 WeakPolarHBondContact CE1-CD2 3.4Å; H65-Y69 AromaticContact CE1-CE2 3.82Å; H65-Y69 AromaticContact ND1-CD2 3.64Å; H65-Y69 AromaticContact ND1-CE2 3.82Å; H65-Y69 AromaticContact NE2-CD2 3.79Å; H65-Y69 WeakPolarHBondContact O-CD2 3.21Å; H65-Y69 PolarHBondContact O-N 3.41Å; H65-M71 PolarHBondContact CD2-O 2.65Å; H65-M71 VanDerWaalsContact NE2-CE 3.35Å; H65-M71 WeakPolarHBondContact NE2-CE 3.47Å; H65-E74 IonicContact CD2-OE1 3.77Å; H65-E74 IonicContact CE1-OE1 3.57Å; H65-E74 PolarHBondContact CE1-OE1 2.9Å; H65-E74 VanDerWaalsContact CE1-OE1 3.24Å; H65-E74 IonicContact NE2-OE1 2.96Å; H65-E74 PolarHBondContact NE2-OE1 3.49Å
66W94.7Very high90.8Very high12 Ų1264.6 Ų64.65%0.04531%0.31CS..Hα-helixtrans-63.2-43.7175.8173.276.4000112.6E62 Y63 Q68 G70 M71 A72 I110 I111 C112 S113 Y115E62-W66 WeakPolarHBondContact O-CB 3.24Å; E62-W66 PolarHBondContact O-N 3Å; Y63-W66 HydrophobicContact CD2-CE3 4.44Å; Y63-W66 HydrophobicContact CE2-CE3 4.33Å; Y63-W66 HydrophobicContact CE2-CZ3 4.26Å; Y63-W66 PolarHBondContact O-N 3.24Å; W66-Q68 VanDerWaalsContact C-N 3.27Å; W66-Q68 PolarHBondContact O-N 3.11Å; W66-G70 WeakPolarHBondContact O-CA 3.33Å; W66-G70 PolarHBondContact O-N 3.3Å; W66-M71 VanDerWaalsContact CA-O 3.23Å; W66-M71 WeakPolarHBondContact CA-O 3.42Å; W66-M71 WeakPolarHBondContact CB-O 3.44Å; W66-A72 HydrophobicContact CG-CB 4.23Å; W66-I110 WeakPolarHBondContact CH2-O 3.45Å; W66-I110 WeakPolarHBondContact CZ3-O 3.38Å; W66-I111 VanDerWaalsContact CH2-C 3.43Å; W66-I111 VanDerWaalsContact CZ3-C 3.44Å; W66-I111 WeakPolarHBondContact CZ3-O 3.41Å; W66-C112 WeakPolarHBondContact CH2-O 3.41Å; W66-C112 WeakPolarHBondContact CZ2-O 3.46Å; W66-S113 VanDerWaalsContact CE3-CB 3.49Å; W66-S113 VanDerWaalsContact CH2-N 3.33Å; W66-Y115 HydrophobicContact CB-CE2 4.27Å
67R94.6Very high90.3Very high0 Ų070.2 Ų70.20%033%0.333CS..Hα-helixtrans-61.6-37.4176.5-72.8-80.6-87.2165.3-12.1111.8W23 H30 F42 D45 Y63 A64 I110W23-R67 PolarHBondContact NE1-O 2.8Å; H30-R67 PolarHBondContact NE2-NH1 3.27Å; H30-R67 PolarHBondContact NE2-NH2 3.5Å; F42-R67 HydrophobicContact CD1-CB 4.04Å; F42-R67 HydrophobicContact CD1-CG 4.28Å; F42-R67 HydrophobicContact CD2-CB 3.51Å; F42-R67 HydrophobicContact CD2-CG 4.35Å; F42-R67 HydrophobicContact CE1-CB 3.88Å; F42-R67 HydrophobicContact CE1-CG 4.4Å; F42-R67 HydrophobicContact CE2-CB 3.31Å; F42-R67 HydrophobicContact CE2-CG 4.47Å; F42-R67 HydrophobicContact CG-CB 3.89Å; F42-R67 HydrophobicContact CG-CG 4.26Å; F42-R67 HydrophobicContact CZ-CB 3.53Å; D45-R67 IonicContact OD2-CZ 2.76Å; D45-R67 IonicContact OD2-NH2 3.45Å; D45-R67 PolarHBondContact OD2-NH2 3.03Å; Y63-R67 HydrophobicContact CD1-CG 4.07Å; Y63-R67 HydrophobicContact CD2-CG 4.44Å; Y63-R67 HydrophobicContact CE1-CG 3.74Å; Y63-R67 HydrophobicContact CE2-CG 4.1Å; Y63-R67 HydrophobicContact CG-CG 4.43Å; Y63-R67 WeakPolarHBondContact O-CB 3.29Å; Y63-R67 VanDerWaalsContact O-CG 3.24Å; Y63-R67 WeakPolarHBondContact O-CG 3.22Å; Y63-R67 PolarHBondContact O-N 2.85Å; A64-R67 PolarHBondContact O-N 3.13Å; R67-I110 WeakPolarHBondContact CD-O 3.41Å; R67-I110 PolarHBondContact NH1-O 3.45Å
68Q93.1Very high89.7Confident90 Ų9071.1 Ų71.142%0.42134%0.344SS..Hα-helixtrans-75-44.3-176.7-172.4172.2200112.7W23 F42 A64 H65 W66W23-Q68 PolarHBondContact NE1-O 2.83Å; F42-Q68 HydrophobicContact CE2-CB 4.15Å; A64-Q68 VanDerWaalsContact O-CB 3.22Å; A64-Q68 WeakPolarHBondContact O-CB 3.49Å; A64-Q68 PolarHBondContact O-N 3.4Å; H65-Q68 PolarHBondContact O-N 3.07Å; W66-Q68 VanDerWaalsContact C-N 3.27Å; W66-Q68 PolarHBondContact O-N 3.11Å
69Y91.3Very high89.2Confident130 Ų13077.8 Ų77.851%0.5138%0.379SS..Hα-helixtrans-113.7-13.2-171-59.5-69.2000114.6H65 M71H65-Y69 AromaticContact CE1-CD2 3.47Å; H65-Y69 VanDerWaalsContact CE1-CD2 3.47Å; H65-Y69 WeakPolarHBondContact CE1-CD2 3.4Å; H65-Y69 AromaticContact CE1-CE2 3.82Å; H65-Y69 AromaticContact ND1-CD2 3.64Å; H65-Y69 AromaticContact ND1-CE2 3.82Å; H65-Y69 AromaticContact NE2-CD2 3.79Å; H65-Y69 WeakPolarHBondContact O-CD2 3.21Å; H65-Y69 PolarHBondContact O-N 3.41Å; Y69-M71 VanDerWaalsContact C-N 3.26Å
70G91.6Very high88.9Confident29 Ų2979.7 Ų79.730%0.29938%0.382SS..SBendtrans76.510.3-172.300000114.1W23 W66W23-G70 VanDerWaalsContact CH2-CA 3.46Å; W23-G70 VanDerWaalsContact CZ2-CA 3.44Å; W66-G70 WeakPolarHBondContact O-CA 3.33Å; W66-G70 PolarHBondContact O-N 3.3Å
71M90Very high88.6Confident52 Ų5284.8 Ų84.826%0.25641%0.407SS..  trans-104.6118.2-178.9-56.2-171-45.400110H65 W66 Y69 Y80H65-M71 PolarHBondContact CD2-O 2.65Å; H65-M71 VanDerWaalsContact NE2-CE 3.35Å; H65-M71 WeakPolarHBondContact NE2-CE 3.47Å; W66-M71 VanDerWaalsContact CA-O 3.23Å; W66-M71 WeakPolarHBondContact CA-O 3.42Å; W66-M71 WeakPolarHBondContact CB-O 3.44Å; Y69-M71 VanDerWaalsContact C-N 3.26Å; M71-Y80 HydrophobicContact CE-CD2 4.47Å; M71-Y80 HydrophobicContact SD-CD1 4.42Å; M71-Y80 HydrophobicContact SD-CD2 3.87Å; M71-Y80 HydrophobicContact SD-CG 3.76Å
72A91.3Very high88.3Confident14 Ų1483 Ų8312%0.11641%0.409CS..  trans-97.6-45.2178.300000112W66 P114 Y115W66-A72 HydrophobicContact CG-CB 4.23Å; A72-P114 HydrophobicContact CB-CG 3.26Å; A72-Y115 WeakPolarHBondContact CA-OH 3.5Å; A72-Y115 HydrophobicContact CB-CE1 3.89Å; A72-Y115 PolarHBondContact O-OH 3.23Å
73F91Very high88Confident87 Ų8783.7 Ų83.738%0.38242%0.417SS..  trans-113.6106.6-175-50.9-70.3000108.4Y80 P114 Y115F73-Y80 PolarHBondContact O-OH 2.82Å; F73-Y80 VanDerWaalsContact O-OH 3.12Å; F73-P114 HydrophobicContact CE2-CB 4.02Å; F73-P114 HydrophobicContact CE2-CG 3.8Å; F73-P114 HydrophobicContact CZ-CB 4.29Å; F73-P114 HydrophobicContact CZ-CG 4.14Å; F73-Y115 HydrophobicContact CD1-CE1 4.2Å; F73-Y115 AromaticContact CE1-CD1 3.83Å; F73-Y115 HydrophobicContact CE1-CD1 3.83Å; F73-Y115 AromaticContact CE1-CE1 3.72Å; F73-Y115 HydrophobicContact CE1-CE1 3.72Å; F73-Y115 HydrophobicContact CZ-CD1 4.07Å; F73-Y115 HydrophobicContact CZ-CE1 4.21Å
74E85.8Confident87.6Confident118 Ų11888 Ų8855%0.55144%0.44SS*.  trans-88125.4173.9-64.5-172.2142.500109.4H65H65-E74 IonicContact CD2-OE1 3.77Å; H65-E74 IonicContact CE1-OE1 3.57Å; H65-E74 PolarHBondContact CE1-OE1 2.9Å; H65-E74 VanDerWaalsContact CE1-OE1 3.24Å; H65-E74 IonicContact NE2-OE1 2.96Å; H65-E74 PolarHBondContact NE2-OE1 3.49Å
75L82.9Confident87.2Confident124 Ų12490.9 Ų90.965%0.64945%0.446SS*.  trans-77.1128.1166.7-174.463.7000108.1E77 A78 Y80L75-E77 PolarHBondContact O-N 2.74Å; L75-A78 HydrophobicContact CB-CB 3.83Å; L75-A78 HydrophobicContact CD2-CB 4.21Å; L75-A78 HydrophobicContact CG-CB 4.33Å; L75-A78 PolarHBondContact O-N 3.05Å; L75-Y80 PolarHBondContact N-OH 3.34Å
76R76.1Confident86.9Confident243 Ų24391.3 Ų91.392%0.91746%0.455SS*.THydrogen-bonded Turntrans-46.2-25.2-168.8-166.2174.3177.4177.1-3.4115.7
77E78.5Confident86.5Confident173 Ų17395.2 Ų95.281%0.80848%0.476SS*.THydrogen-bonded Turntrans-130.512-175.9-57.4-174.716800114.3L75L75-E77 PolarHBondContact O-N 2.74Å
78A80.1Confident86.2Confident40 Ų4095.2 Ų95.233%0.33148%0.476SS..  trans-93.9130.4-17700000112.6L75 Y80L75-A78 HydrophobicContact CB-CB 3.83Å; L75-A78 HydrophobicContact CD2-CB 4.21Å; L75-A78 HydrophobicContact CG-CB 4.33Å; L75-A78 PolarHBondContact O-N 3.05Å; A78-Y80 HydrophobicContact CB-CE2 4.22Å
79N81.8Confident85.7Confident140 Ų14093.7 Ų93.775%0.74948%0.475SS*.  trans-90.2112168.6-68.3-50.4000110.3N81N79-N81 PolarHBondContact O-N 2.8Å
80Y83.3Confident85.4Confident115 Ų11588.4 Ų88.445%0.45146%0.46SS..  trans-79.564.1178.8-65.5-85.7000112.6M71 F73 L75 A78M71-Y80 HydrophobicContact CE-CD2 4.47Å; M71-Y80 HydrophobicContact SD-CD1 4.42Å; M71-Y80 HydrophobicContact SD-CD2 3.87Å; M71-Y80 HydrophobicContact SD-CG 3.76Å; F73-Y80 PolarHBondContact O-OH 2.82Å; F73-Y80 VanDerWaalsContact O-OH 3.12Å; L75-Y80 PolarHBondContact N-OH 3.34Å; A78-Y80 HydrophobicContact CB-CE2 4.22Å
81N86.1Confident85Confident137 Ų13792.2 Ų92.273%0.73347%0.468SS*.  trans-90.8-10.7-175.8-65.3-22.8000114.4N79N79-N81 PolarHBondContact O-N 2.8Å
82V86.1Confident84.7Confident127 Ų12794 Ų9477%0.7748%0.482SS*.SBendtrans-116.6126.6-177.3-179.20000109.3
83P86.5Confident84.2Confident51 Ų5197.3 Ų97.333%0.33149%0.494SS..  trans-70.4135.8-17928.9-34.9000111.3F17 A19 R85F17-P83 HydrophobicContact CD1-CB 3.91Å; F17-P83 HydrophobicContact CD1-CG 4.43Å; F17-P83 HydrophobicContact CE1-CB 4.21Å; F17-P83 WeakPolarHBondContact O-CG 3.38Å; A19-P83 HydrophobicContact CB-CB 3.66Å; P83-R85 PolarHBondContact O-N 2.88Å; P83-R85 VanDerWaalsContact O-N 3.14Å
84N87.2Confident83.8Confident90 Ų90102.3 Ų102.348%0.48151%0.51SS..  trans-74105.4176.6-172.9-3000111.2F17 S86 L87F17-N84 WeakPolarHBondContact CE1-O 3.4Å; N84-S86 VanDerWaalsContact C-N 3.27Å; N84-S86 PolarHBondContact ND2-OG 3.22Å; N84-S86 PolarHBondContact O-N 2.97Å; N84-S86 PolarHBondContact OD1-N 3.15Å; N84-S86 VanDerWaalsContact OD1-N 3.1Å; N84-S86 PolarHBondContact OD1-OG 2.92Å; N84-L87 HydrophobicContact CB-CD1 4.13Å; N84-L87 HydrophobicContact CB-CG 4.31Å; N84-L87 PolarHBondContact O-N 3.13Å
85R86.3Confident83.5Confident84 Ų84101.2 Ų101.232%0.31751%0.508SS..G310 helixtrans-67.3-22.7-178.7-67.6179.5175.2-113-1.1113.6F8 W9 T15 P83 L87 A88F8-R85 HydrophobicContact CE1-CB 4.46Å; W9-R85 VanDerWaalsContact CD1-O 3.25Å; W9-R85 PolarHBondContact NE1-O 3.1Å; W9-R85 VanDerWaalsContact NE1-O 3.09Å; T15-R85 PolarHBondContact O-NH1 2.78Å; T15-R85 PolarHBondContact OG1-NH1 3.46Å; P83-R85 PolarHBondContact O-N 2.88Å; P83-R85 VanDerWaalsContact O-N 3.14Å; R85-L87 PolarHBondContact O-N 3.47Å; R85-A88 WeakPolarHBondContact O-CB 3.5Å; R85-A88 PolarHBondContact O-N 2.82Å; R85-A88 VanDerWaalsContact O-N 3.15Å
86S86.9Confident83.5Confident62 Ų62102 Ų10243%0.43452%0.524SS..G310 helixtrans-68-23.9179.671.10000112.6N84 A88N84-S86 VanDerWaalsContact C-N 3.27Å; N84-S86 PolarHBondContact ND2-OG 3.22Å; N84-S86 PolarHBondContact O-N 2.97Å; N84-S86 PolarHBondContact OD1-N 3.15Å; N84-S86 VanDerWaalsContact OD1-N 3.1Å; N84-S86 PolarHBondContact OD1-OG 2.92Å; S86-A88 VanDerWaalsContact C-N 3.31Å
87L87.2Confident83.9Confident93 Ų9394.5 Ų94.549%0.48751%0.514SS..G310 helixtrans-80-11.7175.9-61.4178.8000113.3N84 R85 Y106N84-L87 HydrophobicContact CB-CD1 4.13Å; N84-L87 HydrophobicContact CB-CG 4.31Å; N84-L87 PolarHBondContact O-N 3.13Å; R85-L87 PolarHBondContact O-N 3.47Å; L87-Y106 HydrophobicContact CB-CD2 4.17Å; L87-Y106 HydrophobicContact CB-CE2 4.41Å
88A86.3Confident84.1Confident0 Ų088.7 Ų88.70%050%0.5CS..EExtended strand (participates in β ladder)trans-76.4131.3177.300000110.4F8 F17 R85 S86F8-A88 HydrophobicContact CD1-CB 4.24Å; F8-A88 HydrophobicContact CE1-CB 3.38Å; F8-A88 HydrophobicContact CZ-CB 3.86Å; F17-A88 HydrophobicContact CD1-CB 4.26Å; F17-A88 HydrophobicContact CD2-CB 3.87Å; F17-A88 HydrophobicContact CE1-CB 4.08Å; F17-A88 HydrophobicContact CE2-CB 3.68Å; F17-A88 HydrophobicContact CG-CB 4.17Å; F17-A88 HydrophobicContact CZ-CB 3.79Å; R85-A88 WeakPolarHBondContact O-CB 3.5Å; R85-A88 PolarHBondContact O-N 2.82Å; R85-A88 VanDerWaalsContact O-N 3.15Å; S86-A88 VanDerWaalsContact C-N 3.31Å
89S84.4Confident84.3Confident59 Ų5992 Ų9241%0.41351%0.513SS..EExtended strand (participates in β ladder)trans-122.5138.4174.9-79.20000110.2G105 W107S89-G105 PolarHBondContact N-O 2.84Å; S89-G105 PolarHBondContact O-N 3.19Å; S89-G105 VanDerWaalsContact O-N 3.13Å; S89-G105 VanDerWaalsContact O-O 3.11Å; S89-W107 PolarHBondContact O-NE1 3.12Å
90G84.8Confident84.3Confident18 Ų1892.6 Ų92.619%0.18651%0.508CS..EExtended strand (participates in β ladder)trans-88.4122.3178.700000111Y103G90-Y103 WeakPolarHBondContact CA-O 3.34Å
91K82.5Confident84.1Confident110 Ų11088.3 Ų88.348%0.47850%0.499SS..EExtended strand (participates in β ladder)trans-115134.4172.2-172.9166.8-177.1168.90110.2F93 Y103 W107K91-F93 HydrophobicContact CB-CD2 4.41Å; K91-F93 HydrophobicContact CB-CE2 3.79Å; K91-F93 HydrophobicContact CB-CZ 4.42Å; K91-F93 HydrophobicContact CD-CE2 4.05Å; K91-F93 HydrophobicContact CD-CZ 3.81Å; K91-F93 HydrophobicContact CG-CD2 4.4Å; K91-F93 HydrophobicContact CG-CE2 3.81Å; K91-F93 HydrophobicContact CG-CZ 4.05Å; K91-F93 WeakPolarHBondContact O-CD2 3.46Å; K91-F93 PolarHBondContact O-N 2.77Å; K91-Y103 PolarHBondContact N-O 2.86Å; K91-Y103 PolarHBondContact O-N 3.22Å; K91-W107 HydrophobicContact CB-CZ2 3.96Å; K91-W107 HydrophobicContact CD-CZ2 4.42Å
92V83.5Confident83.9Confident88 Ų8885.7 Ų85.753%0.53349%0.488SS..EExtended strand (participates in β ladder)trans-81.5119.2178.9-173.10000108.9K100 G101 V102V92-K100 HydrophobicContact CG1-CB 3.91Å; V92-K100 HydrophobicContact CG1-CD 4.45Å; V92-K100 HydrophobicContact CG1-CG 4.29Å; V92-G101 WeakPolarHBondContact CA-O 3.22Å; V92-V102 HydrophobicContact CG2-CG2 4.35Å
93F80.5Confident83.7Confident85 Ų8584.5 Ų84.537%0.37347%0.471SS..EExtended strand (participates in β ladder)trans-110.3151170.9-71-86000110.1K91 K100 G101 W107K91-F93 HydrophobicContact CB-CD2 4.41Å; K91-F93 HydrophobicContact CB-CE2 3.79Å; K91-F93 HydrophobicContact CB-CZ 4.42Å; K91-F93 HydrophobicContact CD-CE2 4.05Å; K91-F93 HydrophobicContact CD-CZ 3.81Å; K91-F93 HydrophobicContact CG-CD2 4.4Å; K91-F93 HydrophobicContact CG-CE2 3.81Å; K91-F93 HydrophobicContact CG-CZ 4.05Å; K91-F93 WeakPolarHBondContact O-CD2 3.46Å; K91-F93 PolarHBondContact O-N 2.77Å; F93-K100 CarbonylContact O-C 3.44Å; F93-K100 WeakPolarHBondContact O-CA 3.5Å; F93-G101 PolarHBondContact N-O 3.2Å; F93-G101 PolarHBondContact O-N 3.35Å; F93-W107 AromaticContact CE2-CH2 3.76Å; F93-W107 HydrophobicContact CE2-CH2 3.76Å; F93-W107 AromaticContact CE2-CZ2 3.61Å; F93-W107 HydrophobicContact CE2-CZ2 3.61Å; F93-W107 AromaticContact CZ-CH2 3.6Å; F93-W107 HydrophobicContact CZ-CH2 3.6Å; F93-W107 AromaticContact CZ-CZ2 3.93Å; F93-W107 HydrophobicContact CZ-CZ2 3.93Å; F93-W107 HydrophobicContact CZ-CZ3 4.44Å
94R82.9Confident83.6Confident192 Ų19284.8 Ų84.873%0.72547%0.465SS*.EExtended strand (participates in β ladder)trans-95.8126.1168.1-64.3-174.6-171.7-169.72.3107.9D99 K100R94-D99 CarbonylContact C-O 3.55Å; R94-D99 WeakPolarHBondContact CA-O 3.43Å; R94-K100 HydrophobicContact CG-CG 4.24Å
95N79.2Confident83.7Confident95 Ų9580.6 Ų80.651%0.50844%0.443SS..  trans-72.1166.1172.8-65.2-10.1000109.8A97 G98 D99N95-A97 PolarHBondContact O-N 3.49Å; N95-A97 VanDerWaalsContact O-N 3.09Å; N95-G98 PolarHBondContact O-N 3.04Å; N95-D99 PolarHBondContact N-O 3.29Å
96S83.6Confident83.8Confident140 Ų14078.7 Ų78.798%0.97944%0.436SS*.THydrogen-bonded Turntrans-58.1-23.7175.5-48.50000113.4G98S96-G98 VanDerWaalsContact C-N 3.32Å
97A83.6Confident83.8Confident85 Ų8579.2 Ų79.270%0.70243%0.429SS*.THydrogen-bonded Turntrans-80.2-6.2174.600000114.2N95N95-A97 PolarHBondContact O-N 3.49Å; N95-A97 VanDerWaalsContact O-N 3.09Å
98G82.9Confident83.9Confident51 Ų5176.2 Ų76.253%0.52642%0.42SS..SBendtrans92.2-12-176.900000115N95 S96N95-G98 PolarHBondContact O-N 3.04Å; S96-G98 VanDerWaalsContact C-N 3.32Å
99D84.9Confident84.1Confident111 Ų11179.7 Ų79.759%0.59444%0.439SS*.  trans-67.1139.4178.3-67.7-31.8000112.3R94 N95 G101R94-D99 CarbonylContact C-O 3.55Å; R94-D99 WeakPolarHBondContact CA-O 3.43Å; N95-D99 PolarHBondContact N-O 3.29Å; D99-G101 PolarHBondContact O-N 2.95Å
100K81.6Confident84.5Confident151 Ų15177 Ų7766%0.65742%0.42SS*.EExtended strand (participates in β ladder)trans-88107.1176.7-67.5178.4-173.8174.10109.5V92 F93 R94V92-K100 HydrophobicContact CG1-CB 3.91Å; V92-K100 HydrophobicContact CG1-CD 4.45Å; V92-K100 HydrophobicContact CG1-CG 4.29Å; F93-K100 CarbonylContact O-C 3.44Å; F93-K100 WeakPolarHBondContact O-CA 3.5Å; R94-K100 HydrophobicContact CG-CG 4.24Å
101G79.6Confident84.8Confident25 Ų2577.3 Ų77.326%0.25842%0.417SS..EExtended strand (participates in β ladder)trans-98.2142.2170.400000111.3V92 F93 D99V92-G101 WeakPolarHBondContact CA-O 3.22Å; F93-G101 PolarHBondContact N-O 3.2Å; F93-G101 PolarHBondContact O-N 3.35Å; D99-G101 PolarHBondContact O-N 2.95Å
102V80.7Confident85.1Confident82 Ų8273.7 Ų73.750%0.49741%0.405SS..EExtended strand (participates in β ladder)trans-90.1115.3167.8-175.60000107.9V92 W104V92-V102 HydrophobicContact CG2-CG2 4.35Å; V102-W104 HydrophobicContact CG1-CZ2 4.24Å
103Y82.6Confident85.4Confident103 Ų10369.6 Ų69.640%0.40438%0.38SS..EExtended strand (participates in β ladder)trans-96.2124.5172.3-173.8-88.1000109.9G90 K91 W107G90-Y103 WeakPolarHBondContact CA-O 3.34Å; K91-Y103 PolarHBondContact N-O 2.86Å; K91-Y103 PolarHBondContact O-N 3.22Å; Y103-W107 HydrophobicContact CD1-CH2 4.41Å; Y103-W107 AromaticContact CD1-CZ2 3.73Å; Y103-W107 HydrophobicContact CD1-CZ2 3.73Å; Y103-W107 HydrophobicContact CE1-CZ2 4.26Å
104W84.9Confident85.9Confident56 Ų5667.4 Ų67.421%0.21237%0.374CS..EExtended strand (participates in β ladder)trans-92.4126.9175.6-66.694000110S4 F8 V102S4-W104 WeakPolarHBondContact O-CH2 3.36Å; F8-W104 HydrophobicContact CB-CD2 4.26Å; F8-W104 HydrophobicContact CB-CE3 4.11Å; F8-W104 HydrophobicContact CB-CH2 3.58Å; F8-W104 HydrophobicContact CB-CZ2 3.68Å; F8-W104 HydrophobicContact CB-CZ3 3.78Å; F8-W104 HydrophobicContact CD1-CD2 4.24Å; F8-W104 AromaticContact CD1-CE3 3.74Å; F8-W104 HydrophobicContact CD1-CE3 3.74Å; F8-W104 AromaticContact CD1-CZ3 3.94Å; F8-W104 HydrophobicContact CD1-CZ3 3.94Å; F8-W104 HydrophobicContact CD2-CB 4.3Å; F8-W104 AromaticContact CD2-CD1 3.81Å; F8-W104 AromaticContact CD2-CD2 3.28Å; F8-W104 HydrophobicContact CD2-CD2 3.28Å; F8-W104 AromaticContact CD2-CE2 3.47Å; F8-W104 VanDerWaalsContact CD2-CE2 3.47Å; F8-W104 AromaticContact CD2-CE3 3.67Å; F8-W104 HydrophobicContact CD2-CE3 3.67Å; F8-W104 AromaticContact CD2-CG 3.55Å; F8-W104 HydrophobicContact CD2-CG 3.55Å; F8-W104 HydrophobicContact CD2-CH2 4.43Å; F8-W104 HydrophobicContact CD2-CZ2 4.07Å; F8-W104 HydrophobicContact CD2-CZ3 4.23Å; F8-W104 AromaticContact CD2-NE1 3.74Å; F8-W104 HydrophobicContact CE1-CD2 4.46Å; F8-W104 HydrophobicContact CE1-CE3 4.04Å; F8-W104 HydrophobicContact CE2-CB 3.56Å; F8-W104 AromaticContact CE2-CD1 3.78Å; F8-W104 AromaticContact CE2-CD2 3.49Å; F8-W104 HydrophobicContact CE2-CD2 3.49Å; F8-W104 VanDerWaalsContact CE2-CD2 3.49Å; F8-W104 AromaticContact CE2-CE3 3.91Å; F8-W104 HydrophobicContact CE2-CE3 3.91Å; F8-W104 AromaticContact CE2-CG 3.3Å; F8-W104 HydrophobicContact CE2-CG 3.3Å; F8-W104 AromaticContact CG-CD2 3.67Å; F8-W104 HydrophobicContact CG-CD2 3.67Å; F8-W104 AromaticContact CG-CE2 3.87Å; F8-W104 AromaticContact CG-CE3 3.56Å; F8-W104 HydrophobicContact CG-CE3 3.56Å; F8-W104 HydrophobicContact CG-CG 4.37Å; F8-W104 AromaticContact CG-CH2 3.99Å; F8-W104 HydrophobicContact CG-CH2 3.99Å; F8-W104 HydrophobicContact CG-CZ2 4.04Å; F8-W104 AromaticContact CG-CZ3 3.72Å; F8-W104 HydrophobicContact CG-CZ3 3.72Å; F8-W104 HydrophobicContact CZ-CB 3.86Å; F8-W104 HydrophobicContact CZ-CD2 4.08Å; F8-W104 HydrophobicContact CZ-CE3 4.06Å; F8-W104 AromaticContact CZ-CG 3.99Å; F8-W104 HydrophobicContact CZ-CG 3.99Å; V102-W104 HydrophobicContact CG1-CZ2 4.24Å
105G88.1Confident86.4Confident2 Ų258.4 Ų58.42%0.02134%0.341CS..EExtended strand (participates in β ladder)trans-163.8177.4-179.400000111.7S89S89-G105 PolarHBondContact N-O 2.84Å; S89-G105 PolarHBondContact O-N 3.19Å; S89-G105 VanDerWaalsContact O-N 3.13Å; S89-G105 VanDerWaalsContact O-O 3.11Å
106Y89.5Confident87Confident44 Ų4454.6 Ų54.617%0.17332%0.32CS..EExtended strand (participates in β ladder)trans-82.9117.8169.5-178.8-99.8000110W23 R26 L87 G108 D109 I110W23-Y106 AromaticContact CE3-CD1 3.63Å; W23-Y106 HydrophobicContact CE3-CD1 3.63Å; W23-Y106 AromaticContact CE3-CE1 3.84Å; W23-Y106 HydrophobicContact CE3-CE1 3.84Å; W23-Y106 HydrophobicContact CE3-CG 4.18Å; W23-Y106 HydrophobicContact CH2-CE1 4.02Å; W23-Y106 AromaticContact CZ3-CD1 3.52Å; W23-Y106 HydrophobicContact CZ3-CD1 3.52Å; W23-Y106 AromaticContact CZ3-CE1 3.2Å; W23-Y106 HydrophobicContact CZ3-CE1 3.2Å; W23-Y106 HydrophobicContact CZ3-CE2 4.36Å; W23-Y106 HydrophobicContact CZ3-CG 4.23Å; W23-Y106 AromaticContact CZ3-CZ 3.65Å; R26-Y106 WeakPolarHBondContact CD-O 3.37Å; R26-Y106 PolarHBondContact NE-O 3Å; L87-Y106 HydrophobicContact CB-CD2 4.17Å; L87-Y106 HydrophobicContact CB-CE2 4.41Å; Y106-G108 VanDerWaalsContact CE1-C 3.44Å; Y106-G108 WeakPolarHBondContact CE1-O 3.13Å; Y106-G108 VanDerWaalsContact CZ-CA 3.48Å; Y106-D109 WeakPolarHBondContact CE1-O 3.38Å; Y106-D109 PolarHBondContact OH-O 3.35Å; Y106-I110 HydrophobicContact CD1-CG2 4.07Å; Y106-I110 HydrophobicContact CE1-CG2 3.68Å
107W87.6Confident87.3Confident74 Ų7452.6 Ų52.628%0.2830%0.302SS..  trans-114.68.7179.5-58.8113.6000113.4S89 K91 F93 Y103S89-W107 PolarHBondContact O-NE1 3.12Å; K91-W107 HydrophobicContact CB-CZ2 3.96Å; K91-W107 HydrophobicContact CD-CZ2 4.42Å; F93-W107 AromaticContact CE2-CH2 3.76Å; F93-W107 HydrophobicContact CE2-CH2 3.76Å; F93-W107 AromaticContact CE2-CZ2 3.61Å; F93-W107 HydrophobicContact CE2-CZ2 3.61Å; F93-W107 AromaticContact CZ-CH2 3.6Å; F93-W107 HydrophobicContact CZ-CH2 3.6Å; F93-W107 AromaticContact CZ-CZ2 3.93Å; F93-W107 HydrophobicContact CZ-CZ2 3.93Å; F93-W107 HydrophobicContact CZ-CZ3 4.44Å; Y103-W107 HydrophobicContact CD1-CH2 4.41Å; Y103-W107 AromaticContact CD1-CZ2 3.73Å; Y103-W107 HydrophobicContact CD1-CZ2 3.73Å; Y103-W107 HydrophobicContact CE1-CZ2 4.26Å
108G88.5Confident87.7Confident30 Ų3051.9 Ų51.931%0.30928%0.283SS..SBendtrans-76.2-175.7176.200000113R26 Y106R26-G108 PolarHBondContact NH2-O 3.08Å; Y106-G108 VanDerWaalsContact CE1-C 3.44Å; Y106-G108 WeakPolarHBondContact CE1-O 3.13Å; Y106-G108 VanDerWaalsContact CZ-CA 3.48Å
109D89.8Confident88.2Confident73 Ų7349.5 Ų49.539%0.3926%0.258SS..  trans-68.5139.8176-157.1-17000110.7Y106 I111 C112Y106-D109 WeakPolarHBondContact CE1-O 3.38Å; Y106-D109 PolarHBondContact OH-O 3.35Å; D109-I111 PolarHBondContact OD1-N 3.37Å; D109-C112 PolarHBondContact OD1-N 3.08Å; D109-C112 VanDerWaalsContact OD1-N 3.15Å; D109-C112 WeakPolarHBondContact OD2-CB 3.24Å; D109-C112 PolarHBondContact OD2-N 2.95Å; D109-C112 PolarHBondContact OD2-SG 3.18Å
110I92.7Very high88.4Confident3 Ų345 Ų452%0.01523%0.234CC..SBendtrans-121.4-2.9175.766.3176.8000111.2W23 R26 L27 H30 W66 R67 Y106W23-I110 HydrophobicContact CD2-CG2 4.48Å; W23-I110 HydrophobicContact CE3-CG2 4.21Å; W23-I110 HydrophobicContact CH2-CB 4.01Å; W23-I110 HydrophobicContact CH2-CG2 3.67Å; W23-I110 HydrophobicContact CZ2-CB 3.99Å; W23-I110 HydrophobicContact CZ2-CG2 3.95Å; W23-I110 HydrophobicContact CZ3-CG2 3.84Å; R26-I110 HydrophobicContact CB-CD1 4.12Å; R26-I110 HydrophobicContact CB-CG2 4.39Å; L27-I110 HydrophobicContact CD2-CD1 4.39Å; H30-I110 HydrophobicContact CB-CD1 3.84Å; W66-I110 WeakPolarHBondContact CH2-O 3.45Å; W66-I110 WeakPolarHBondContact CZ3-O 3.38Å; R67-I110 WeakPolarHBondContact CD-O 3.41Å; R67-I110 PolarHBondContact NH1-O 3.45Å; Y106-I110 HydrophobicContact CD1-CG2 4.07Å; Y106-I110 HydrophobicContact CE1-CG2 3.68Å
111I91.7Very high88.8Confident23 Ų2341.4 Ų41.412%0.11822%0.222CC..SBendtrans-110.3-51.7-176.1-47171.4000110.7H30 Y63 W66 D109 S113 V388H30-I111 WeakPolarHBondContact CE1-CD1 3.35Å; Y63-I111 WeakPolarHBondContact CE2-O 3.48Å; Y63-I111 PolarHBondContact OH-O 2.92Å; W66-I111 VanDerWaalsContact CH2-C 3.43Å; W66-I111 VanDerWaalsContact CZ3-C 3.44Å; W66-I111 WeakPolarHBondContact CZ3-O 3.41Å; D109-I111 PolarHBondContact OD1-N 3.37Å; I111-S113 PolarHBondContact O-N 3.39Å; I111-V388 HydrophobicContact CG2-CB 3.89Å; I111-V388 HydrophobicContact CG2-CG2 3.63Å
112C88.1Confident89.3Confident35 Ų3541.2 Ų41.224%0.23622%0.216CC..SBendtrans-83.4107.9178.1-48.40000109.4W66 D109 L116W66-C112 WeakPolarHBondContact CH2-O 3.41Å; W66-C112 WeakPolarHBondContact CZ2-O 3.46Å; D109-C112 PolarHBondContact OD1-N 3.08Å; D109-C112 VanDerWaalsContact OD1-N 3.15Å; D109-C112 WeakPolarHBondContact OD2-CB 3.24Å; D109-C112 PolarHBondContact OD2-N 2.95Å; D109-C112 PolarHBondContact OD2-SG 3.18Å; C112-L116 HydrophobicContact CB-CD1 3.67Å
113S90.5Very high89.5Confident2 Ų241.7 Ų41.71%0.01422%0.223CC..  trans-66.8150.717665.20000111.6W66 I111 Y115 L116W66-S113 VanDerWaalsContact CE3-CB 3.49Å; W66-S113 VanDerWaalsContact CH2-N 3.33Å; I111-S113 PolarHBondContact O-N 3.39Å; S113-Y115 VanDerWaalsContact CB-CD2 3.43Å; S113-Y115 PolarHBondContact O-N 3.37Å; S113-Y115 VanDerWaalsContact O-N 3.07Å; S113-Y115 WeakPolarHBondContact OG-CD2 3.2Å; S113-L116 WeakPolarHBondContact O-CB 3.37Å; S113-L116 PolarHBondContact O-N 3.49Å
114P92.1Very high89.4Confident38 Ų3842.3 Ų42.325%0.24723%0.229CC..THydrogen-bonded Turntrans-62.8-15.1175.427.8-35.7000112.9A72 F73 L116 V117 F118A72-P114 HydrophobicContact CB-CG 3.26Å; F73-P114 HydrophobicContact CE2-CB 4.02Å; F73-P114 HydrophobicContact CE2-CG 3.8Å; F73-P114 HydrophobicContact CZ-CB 4.29Å; F73-P114 HydrophobicContact CZ-CG 4.14Å; P114-L116 PolarHBondContact O-N 3.2Å; P114-V117 PolarHBondContact O-N 3.31Å; P114-F118 PolarHBondContact O-N 2.97Å
115Y93.3Very high89.4Confident3 Ų339.9 Ų39.91%0.01222%0.221CC..Hα-helixtrans-57.6-31170.5-49.6-49.8000112.5I58 E62 W66 A72 F73 S113 V117 G119 I120 A140I58-Y115 HydrophobicContact CG2-CD2 4.14Å; E62-Y115 HydrophobicContact CB-CE2 4.07Å; E62-Y115 PolarHBondContact O-OH 3.09Å; W66-Y115 HydrophobicContact CB-CE2 4.27Å; A72-Y115 WeakPolarHBondContact CA-OH 3.5Å; A72-Y115 HydrophobicContact CB-CE1 3.89Å; A72-Y115 PolarHBondContact O-OH 3.23Å; F73-Y115 HydrophobicContact CD1-CE1 4.2Å; F73-Y115 AromaticContact CE1-CD1 3.83Å; F73-Y115 HydrophobicContact CE1-CD1 3.83Å; F73-Y115 AromaticContact CE1-CE1 3.72Å; F73-Y115 HydrophobicContact CE1-CE1 3.72Å; F73-Y115 HydrophobicContact CZ-CD1 4.07Å; F73-Y115 HydrophobicContact CZ-CE1 4.21Å; S113-Y115 VanDerWaalsContact CB-CD2 3.43Å; S113-Y115 PolarHBondContact O-N 3.37Å; S113-Y115 VanDerWaalsContact O-N 3.07Å; S113-Y115 WeakPolarHBondContact OG-CD2 3.2Å; Y115-V117 PolarHBondContact O-N 3.06Å; Y115-G119 CarbonylContact O-C 3.47Å; Y115-G119 WeakPolarHBondContact O-CA 3.42Å; Y115-G119 PolarHBondContact O-N 3.47Å; Y115-I120 PolarHBondContact O-N 2.92Å; Y115-A140 HydrophobicContact CD1-CB 4.18Å; Y115-A140 HydrophobicContact CG-CB 4.08Å
116L91.3Very high89.3Confident15 Ų1543.9 Ų43.98%0.07925%0.248CC..Hα-helixtrans-67.4-21.7177.7-67166.8000112.8L50 V55 I58 C112 S113 P114 I120 Y386L50-L116 HydrophobicContact CD2-CD2 4.26Å; V55-L116 HydrophobicContact CG1-CD2 3.95Å; V55-L116 HydrophobicContact CG2-CD2 4.11Å; I58-L116 HydrophobicContact CD1-CD2 3.73Å; I58-L116 HydrophobicContact CD1-CG 4.06Å; C112-L116 HydrophobicContact CB-CD1 3.67Å; S113-L116 WeakPolarHBondContact O-CB 3.37Å; S113-L116 PolarHBondContact O-N 3.49Å; P114-L116 PolarHBondContact O-N 3.2Å; L116-I120 HydrophobicContact CD2-CG2 4.4Å; L116-I120 WeakPolarHBondContact O-CD1 3.32Å; L116-I120 WeakPolarHBondContact O-CG1 3.12Å; L116-Y386 HydrophobicContact CD1-CG 4.25Å; L116-Y386 HydrophobicContact CD2-CD1 3.87Å; L116-Y386 HydrophobicContact CD2-CD2 4.46Å; L116-Y386 HydrophobicContact CD2-CE1 4.23Å; L116-Y386 HydrophobicContact CD2-CG 4Å
117V90.3Very high89.1Confident98 Ų9844.8 Ų44.859%0.59425%0.253SS*.Hα-helixtrans-88.4-43.3-178.9-174.70000110.7P114 Y115P114-V117 PolarHBondContact O-N 3.31Å; Y115-V117 PolarHBondContact O-N 3.06Å
118F91.5Very high89.2Confident71 Ų7141.3 Ų41.331%0.31124%0.24SC..Hα-helixtrans-119.9-17.6-170.9-56.6-63.4000114.6P114 S144 N147 I148 M151P114-F118 PolarHBondContact O-N 2.97Å; F118-S144 WeakPolarHBondContact O-CA 3.23Å; F118-N147 PolarHBondContact O-ND2 3.09Å; F118-I148 HydrophobicContact CB-CD1 4.34Å; F118-I148 HydrophobicContact CB-CG1 4.33Å; F118-I148 HydrophobicContact CD1-CG1 4.13Å; F118-I148 HydrophobicContact CD2-CD1 3.92Å; F118-I148 HydrophobicContact CD2-CG1 4.33Å; F118-I148 HydrophobicContact CE2-CD1 4.37Å; F118-I148 HydrophobicContact CG-CD1 4.04Å; F118-I148 HydrophobicContact CG-CG1 4.01Å; F118-M151 HydrophobicContact CD1-CE 3.67Å; F118-M151 HydrophobicContact CE1-CE 3.59Å; F118-M151 HydrophobicContact CE1-SD 4.42Å
119G92.3Very high89.2Confident0 Ų043.2 Ų43.20%024%0.243CC..SBendtrans-1030.1-169.800000115.3Y115 A140 S144Y115-G119 CarbonylContact O-C 3.47Å; Y115-G119 WeakPolarHBondContact O-CA 3.42Å; Y115-G119 PolarHBondContact O-N 3.47Å; G119-A140 WeakPolarHBondContact CA-O 3.43Å; G119-S144 VanDerWaalsContact CA-OG 3.23Å; G119-S144 WeakPolarHBondContact CA-OG 3.49Å; G119-S144 PolarHBondContact N-OG 3.12Å
120I90.6Very high89.2Confident18 Ų1846 Ų469%0.09225%0.249CC..SBendtrans-102.6-30.3179.761.5169.9000113V55 I58 Y115 L116 T122 Y386V55-I120 HydrophobicContact CG1-CG2 3.59Å; V55-I120 HydrophobicContact CG2-CG2 4.38Å; I58-I120 HydrophobicContact CD1-CG2 4.44Å; Y115-I120 PolarHBondContact O-N 2.92Å; L116-I120 HydrophobicContact CD2-CG2 4.4Å; L116-I120 WeakPolarHBondContact O-CD1 3.32Å; L116-I120 WeakPolarHBondContact O-CG1 3.12Å; I120-T122 PolarHBondContact O-N 2.94Å; I120-Y386 HydrophobicContact CD1-CE2 4.03Å; I120-Y386 VanDerWaalsContact CD1-OH 3.22Å; I120-Y386 WeakPolarHBondContact CD1-OH 3.46Å
121D89.6Confident89.1Confident75 Ų7550.7 Ų50.740%0.40127%0.273SS..  trans-79.3119.1-176.5-167.2-1.7000109.8S123 N147D121-S123 WeakPolarHBondContact OD1-CB 3.4Å; D121-S123 PolarHBondContact OD1-N 3.4Å; D121-S123 PolarHBondContact OD1-OG 3.43Å; D121-N147 PolarHBondContact O-ND2 3.08Å
122T88.5Confident89Confident20 Ų2053.1 Ų53.112%0.12329%0.289CS..  trans-125.112.8177.252.30000111.1I120 E124 C125 C126 L128 I143I120-T122 PolarHBondContact O-N 2.94Å; T122-E124 PolarHBondContact O-N 2.95Å; T122-C125 CarbonylContact O-C 3.45Å; T122-C125 PolarHBondContact O-N 2.95Å; T122-C126 PolarHBondContact O-N 3.46Å; T122-L128 HydrophobicContact CG2-CB 4.05Å; T122-I143 HydrophobicContact CG2-CD1 4.05Å; T122-I143 HydrophobicContact CG2-CG2 4.13Å
123S86.4Confident89.1Confident92 Ų9259.3 Ų59.364%0.64332%0.319SS*.THydrogen-bonded Turntrans-60.2-32.7-176.158.80000112.9D121D121-S123 WeakPolarHBondContact OD1-CB 3.4Å; D121-S123 PolarHBondContact OD1-N 3.4Å; D121-S123 PolarHBondContact OD1-OG 3.43Å
124E79.8Confident89Confident117 Ų11762.5 Ų62.555%0.54735%0.352SS..THydrogen-bonded Turntrans-95.5-15.4-176.5-56.9-176.3155.400114.1T122 K150T122-E124 PolarHBondContact O-N 2.95Å; E124-K150 VanDerWaalsContact CD-NZ 3.27Å; E124-K150 IonicContact OE1-NZ 3.79Å; E124-K150 WeakPolarHBondContact OE2-CD 3.3Å; E124-K150 WeakPolarHBondContact OE2-CE 3.38Å; E124-K150 IonicContact OE2-NZ 2.65Å; E124-K150 PolarHBondContact OE2-NZ 2.85Å
125C84.7Confident88.7Confident5 Ų568.2 Ų68.23%0.03437%0.374CS..  trans-138.776.7179.5-69.70000108.7T122 E127 L128T122-C125 CarbonylContact O-C 3.45Å; T122-C125 PolarHBondContact O-N 2.95Å; C125-E127 PolarHBondContact O-N 3.08Å; C125-E127 VanDerWaalsContact O-N 3.16Å; C125-L128 HydrophobicContact CB-CD1 3.83Å; C125-L128 HydrophobicContact CB-CG 4.06Å; C125-L128 WeakPolarHBondContact O-CB 3.18Å; C125-L128 PolarHBondContact O-N 3.42Å; C125-L128 VanDerWaalsContact O-N 3.08Å
126C85.8Confident88.6Confident86 Ų8670.4 Ų70.458%0.58138%0.384SS*.G310 helixtrans-63.7-21-173.862.60000112.9T122 L128 N129T122-C126 PolarHBondContact O-N 3.46Å; C126-L128 PolarHBondContact O-N 3Å; C126-N129 WeakPolarHBondContact O-CB 3.26Å; C126-N129 PolarHBondContact O-N 3.49Å
127E85.9Confident88.5Confident63 Ų6371.9 Ų71.929%0.29440%0.398SS..G310 helixtrans-61.5-28.6175-56.189.6162.800112.4C125 N129 R130 L170C125-E127 PolarHBondContact O-N 3.08Å; C125-E127 VanDerWaalsContact O-N 3.16Å; E127-N129 PolarHBondContact O-N 2.8Å; E127-R130 WeakPolarHBondContact O-CB 3.42Å; E127-R130 PolarHBondContact O-N 2.88Å; E127-L170 HydrophobicContact CB-CD1 3.98Å; E127-L170 HydrophobicContact CB-CD2 4.44Å
128L89Confident88.5Confident0 Ų069.8 Ų69.80%038%0.38CS..G310 helixtrans-69.8-20.1176.9-64.4178.3000112.6T122 C125 C126 R130 Y138 I143 V146 F169 L170T122-L128 HydrophobicContact CG2-CB 4.05Å; C125-L128 HydrophobicContact CB-CD1 3.83Å; C125-L128 HydrophobicContact CB-CG 4.06Å; C125-L128 WeakPolarHBondContact O-CB 3.18Å; C125-L128 PolarHBondContact O-N 3.42Å; C125-L128 VanDerWaalsContact O-N 3.08Å; C126-L128 PolarHBondContact O-N 3Å; L128-R130 PolarHBondContact O-N 2.93Å; L128-Y138 HydrophobicContact CD2-CD2 4.05Å; L128-Y138 HydrophobicContact CD2-CE2 4.49Å; L128-Y138 HydrophobicContact CD2-CG 4.14Å; L128-I143 HydrophobicContact CB-CG1 4.22Å; L128-I143 HydrophobicContact CD1-CG1 4.32Å; L128-I143 HydrophobicContact CD1-CG2 4.29Å; L128-V146 HydrophobicContact CD1-CB 4.05Å; L128-V146 HydrophobicContact CD1-CG1 4.01Å; L128-V146 HydrophobicContact CD1-CG2 4.22Å; L128-V146 HydrophobicContact CD2-CG2 4.38Å; L128-F169 HydrophobicContact CD2-CE2 4.26Å; L128-F169 HydrophobicContact CD2-CZ 4.33Å; L128-L170 HydrophobicContact CD2-CD1 4.26Å
129N90.1Very high88.5Confident71 Ų7167.8 Ų67.838%0.3838%0.376SS..G310 helixtrans-85.26.9175.9-160.529000112.9C126 E127 L131 H136C126-N129 WeakPolarHBondContact O-CB 3.26Å; C126-N129 PolarHBondContact O-N 3.49Å; E127-N129 PolarHBondContact O-N 2.8Å; N129-L131 PolarHBondContact O-N 3.12Å; N129-H136 PolarHBondContact OD1-NE2 2.87Å
130R89.6Confident88.5Confident132 Ų13267.8 Ų67.850%0.49838%0.376SS..  trans-59.9130-179.7-173.7179.3-166.1173.68.1111.2E127 L128 A137E127-R130 WeakPolarHBondContact O-CB 3.42Å; E127-R130 PolarHBondContact O-N 2.88Å; L128-R130 PolarHBondContact O-N 2.93Å; R130-A137 HydrophobicContact CB-CB 4.34Å; R130-A137 WeakPolarHBondContact O-CB 3.46Å; R130-A137 PolarHBondContact O-N 3.33Å
131L90.4Very high88.6Confident101 Ų10168.3 Ų68.353%0.52938%0.382SS..EExtended strand (participates in β ladder)trans-97.4133.4173.8-62.6174000110.6N129 K135N129-L131 PolarHBondContact O-N 3.12Å; L131-K135 CarbonylContact C-O 3.59Å; L131-K135 VanDerWaalsContact CA-O 3.32Å; L131-K135 WeakPolarHBondContact CA-O 3.37Å
132V88.8Confident88.7Confident74 Ų7466.5 Ų66.545%0.44837%0.373SS..EExtended strand (participates in β ladder)trans-121.4119.6171177.70000107.4G134 K135 A137V132-G134 PolarHBondContact O-N 3.34Å; V132-K135 PolarHBondContact N-O 3.47Å; V132-K135 PolarHBondContact O-N 2.57Å; V132-K135 VanDerWaalsContact O-O 3.14Å; V132-A137 HydrophobicContact CG2-CB 3.93Å
133N91Very high89Confident164 Ų16465.5 Ų65.588%0.87737%0.367SS*.THydrogen-bonded Turntrans52.639.9-176.5-58.7-26.6000113.2K135N133-K135 PolarHBondContact O-N 2.52Å
134G87.2Confident89.3Confident69 Ų6961.1 Ų61.171%0.71134%0.337SS*.THydrogen-bonded Turntrans738.4-179.900000115.3V132V132-G134 PolarHBondContact O-N 3.34Å
135K87.5Confident89.9Confident159 Ų15960 Ų6069%0.69133%0.332SS*.EExtended strand (participates in β ladder)trans-119.2149.8174.6-64.8-177.6-179.81790110.4L131 V132 N133 A137L131-K135 CarbonylContact C-O 3.59Å; L131-K135 VanDerWaalsContact CA-O 3.32Å; L131-K135 WeakPolarHBondContact CA-O 3.37Å; V132-K135 PolarHBondContact N-O 3.47Å; V132-K135 PolarHBondContact O-N 2.57Å; V132-K135 VanDerWaalsContact O-O 3.14Å; N133-K135 PolarHBondContact O-N 2.52Å; K135-A137 PolarHBondContact O-N 3.41Å
136H90Very high90.3Very high48 Ų4859.8 Ų59.822%0.22233%0.33CS..EExtended strand (participates in β ladder)trans-59.1131174.3-64.789.8000110.6T56 N129 Y138T56-H136 VanDerWaalsContact C-CE1 3.48Å; T56-H136 PolarHBondContact O-CE1 2.87Å; T56-H136 VanDerWaalsContact O-CE1 3.29Å; T56-H136 PolarHBondContact O-ND1 2.85Å; T56-H136 PolarHBondContact OG1-CE1 3.36Å; N129-H136 PolarHBondContact OD1-NE2 2.87Å; H136-Y138 WeakPolarHBondContact CB-O 3.5Å; H136-Y138 PolarHBondContact O-N 2.95Å
137A89Confident90.7Very high46 Ų4656.5 Ų56.538%0.3831%0.307SS..SBendtrans-65.4-33.5176.300000111.4R130 V132 K135R130-A137 HydrophobicContact CB-CB 4.34Å; R130-A137 WeakPolarHBondContact O-CB 3.46Å; R130-A137 PolarHBondContact O-N 3.33Å; V132-A137 HydrophobicContact CG2-CB 3.93Å; K135-A137 PolarHBondContact O-N 3.41Å
138Y91.6Very high91.1Very high55 Ų5555.9 Ų55.922%0.21631%0.305CS..SBendtrans-116.3141.2-178.4-56.6-76.2000110.6L128 H136 T142 F169 L170L128-Y138 HydrophobicContact CD2-CD2 4.05Å; L128-Y138 HydrophobicContact CD2-CE2 4.49Å; L128-Y138 HydrophobicContact CD2-CG 4.14Å; H136-Y138 WeakPolarHBondContact CB-O 3.5Å; H136-Y138 PolarHBondContact O-N 2.95Å; Y138-T142 HydrophobicContact CD1-CG2 4.15Å; Y138-F169 HydrophobicContact CD1-CE2 4Å; Y138-F169 AromaticContact CE1-CD2 3.88Å; Y138-F169 HydrophobicContact CE1-CD2 3.88Å; Y138-F169 AromaticContact CE1-CE2 3.61Å; Y138-F169 HydrophobicContact CE1-CE2 3.61Å; Y138-L170 HydrophobicContact CE1-CD2 4.49Å; Y138-L170 HydrophobicContact CE2-CD2 4.03Å; Y138-L170 VanDerWaalsContact OH-CD2 3.25Å; Y138-L170 WeakPolarHBondContact OH-CD2 3.43Å
139A90.8Very high91.3Very high28 Ų2859.6 Ų59.623%0.23132%0.319CS..  trans-87.4161.9178.900000111.2E62 S141 T142 I143E62-A139 WeakPolarHBondContact OE1-CB 3.47Å; A139-S141 PolarHBondContact O-N 3.26Å; A139-S141 VanDerWaalsContact O-N 3.13Å; A139-T142 PolarHBondContact O-N 3.24Å; A139-I143 WeakPolarHBondContact O-CG1 3.34Å; A139-I143 PolarHBondContact O-N 2.96Å; A139-I143 VanDerWaalsContact O-N 3.11Å
140A93.1Very high91.4Very high0 Ų057.4 Ų57.40%031%0.306CS..Hα-helixtrans-62.3-24.7-177.200000112.8I58 Y115 G119 S144I58-A140 HydrophobicContact CG1-CB 3.92Å; Y115-A140 HydrophobicContact CD1-CB 4.18Å; Y115-A140 HydrophobicContact CG-CB 4.08Å; G119-A140 WeakPolarHBondContact CA-O 3.43Å; A140-S144 WeakPolarHBondContact O-CB 3.4Å; A140-S144 PolarHBondContact O-N 2.91Å; A140-S144 PolarHBondContact O-OG 3.01Å
141S92.2Very high91.5Very high30 Ų3054.8 Ų54.821%0.2130%0.3CS..Hα-helixtrans-59.9-52.6170.3520000112.2E62 A139 I143 S144 E145E62-S141 WeakPolarHBondContact OE1-CB 3.38Å; E62-S141 PolarHBondContact OE1-OG 3.45Å; A139-S141 PolarHBondContact O-N 3.26Å; A139-S141 VanDerWaalsContact O-N 3.13Å; S141-I143 PolarHBondContact O-N 3.29Å; S141-S144 WeakPolarHBondContact O-CB 3.39Å; S141-S144 PolarHBondContact O-N 3.07Å; S141-E145 PolarHBondContact O-N 3.1Å
142T91.9Very high91.7Very high36 Ų3656.6 Ų56.622%0.22130%0.304CS..Hα-helixtrans-62.8-41.3177.2-52.50000112.2Y138 A139 S144 E145 V146 F169Y138-T142 HydrophobicContact CD1-CG2 4.15Å; A139-T142 PolarHBondContact O-N 3.24Å; T142-S144 VanDerWaalsContact C-N 3.33Å; T142-S144 PolarHBondContact O-N 2.95Å; T142-E145 WeakPolarHBondContact O-CB 2.77Å; T142-E145 PolarHBondContact O-N 3.36Å; T142-V146 VanDerWaalsContact O-CG2 3.29Å; T142-V146 WeakPolarHBondContact O-CG2 3.15Å; T142-V146 PolarHBondContact O-N 3.45Å; T142-F169 HydrophobicContact CG2-CE1 3.98Å; T142-F169 HydrophobicContact CG2-CE2 4.1Å; T142-F169 HydrophobicContact CG2-CZ 3.44Å; T142-F169 VanDerWaalsContact CG2-CZ 3.44Å
143I93.6Very high91.9Very high0 Ų055.5 Ų55.50%029%0.292CS..Hα-helixtrans-62.1-44.8176.8-60.5171.1000110Q57 T122 L128 A139 S141 E145 V146 N147Q57-I143 HydrophobicContact CB-CD1 4.02Å; Q57-I143 HydrophobicContact CG-CD1 3.95Å; T122-I143 HydrophobicContact CG2-CD1 4.05Å; T122-I143 HydrophobicContact CG2-CG2 4.13Å; L128-I143 HydrophobicContact CB-CG1 4.22Å; L128-I143 HydrophobicContact CD1-CG1 4.32Å; L128-I143 HydrophobicContact CD1-CG2 4.29Å; A139-I143 WeakPolarHBondContact O-CG1 3.34Å; A139-I143 PolarHBondContact O-N 2.96Å; A139-I143 VanDerWaalsContact O-N 3.11Å; S141-I143 PolarHBondContact O-N 3.29Å; I143-E145 VanDerWaalsContact C-N 3.3Å; I143-E145 PolarHBondContact O-N 3.1Å; I143-V146 PolarHBondContact O-N 3.39Å; I143-N147 WeakPolarHBondContact O-CB 3.44Å; I143-N147 PolarHBondContact O-N 3.15Å
144S94.1Very high91.9Very high0 Ų050 Ų500%026%0.261CS..Hα-helixtrans-59.7-41.6176.7-57.40000111.9F118 G119 A140 S141 T142 I148F118-S144 WeakPolarHBondContact O-CA 3.23Å; G119-S144 VanDerWaalsContact CA-OG 3.23Å; G119-S144 WeakPolarHBondContact CA-OG 3.49Å; G119-S144 PolarHBondContact N-OG 3.12Å; A140-S144 WeakPolarHBondContact O-CB 3.4Å; A140-S144 PolarHBondContact O-N 2.91Å; A140-S144 PolarHBondContact O-OG 3.01Å; S141-S144 WeakPolarHBondContact O-CB 3.39Å; S141-S144 PolarHBondContact O-N 3.07Å; T142-S144 VanDerWaalsContact C-N 3.33Å; T142-S144 PolarHBondContact O-N 2.95Å; S144-I148 WeakPolarHBondContact O-CB 3.38Å; S144-I148 WeakPolarHBondContact O-CG1 3.46Å; S144-I148 PolarHBondContact O-N 3.23Å
145E92.5Very high92.1Very high94 Ų9453 Ų5344%0.43926%0.26SS..Hα-helixtrans-62-46.2177.7-172.9-171.5148.200111.9S141 T142 I143 R149S141-E145 PolarHBondContact O-N 3.1Å; T142-E145 WeakPolarHBondContact O-CB 2.77Å; T142-E145 PolarHBondContact O-N 3.36Å; I143-E145 VanDerWaalsContact C-N 3.3Å; I143-E145 PolarHBondContact O-N 3.1Å; E145-R149 WeakPolarHBondContact O-CB 3.31Å; E145-R149 PolarHBondContact O-N 2.66Å; E145-R149 IonicContact OE1-CZ 2.61Å; E145-R149 IonicContact OE1-NH1 3.86Å; E145-R149 PolarHBondContact OE1-NH1 3.48Å; E145-R149 IonicContact OE1-NH2 3.9Å; E145-R149 PolarHBondContact OE1-NH2 2.85Å
146V93.3Very high92.2Very high0 Ų052.8 Ų52.80%026%0.261CS..Hα-helixtrans-62.2-48178.1176.60000111L128 T142 I143 R149 K150 A167 F169L128-V146 HydrophobicContact CD1-CB 4.05Å; L128-V146 HydrophobicContact CD1-CG1 4.01Å; L128-V146 HydrophobicContact CD1-CG2 4.22Å; L128-V146 HydrophobicContact CD2-CG2 4.38Å; T142-V146 VanDerWaalsContact O-CG2 3.29Å; T142-V146 WeakPolarHBondContact O-CG2 3.15Å; T142-V146 PolarHBondContact O-N 3.45Å; I143-V146 PolarHBondContact O-N 3.39Å; V146-R149 PolarHBondContact O-N 2.89Å; V146-K150 VanDerWaalsContact O-CB 3.31Å; V146-K150 WeakPolarHBondContact O-CB 3.45Å; V146-K150 PolarHBondContact O-N 2.93Å; V146-A167 HydrophobicContact CG1-CB 4Å; V146-A167 HydrophobicContact CG2-CB 4.06Å; V146-F169 HydrophobicContact CG2-CE1 3.94Å; V146-F169 HydrophobicContact CG2-CZ 3.6Å
147N93.8Very high92.3Very high17 Ų1753.8 Ų53.89%0.09127%0.268CS..Hα-helixtrans-64.8-42.6-178.5-72.3-14000111.8F118 D121 I143 K150 M151F118-N147 PolarHBondContact O-ND2 3.09Å; D121-N147 PolarHBondContact O-ND2 3.08Å; I143-N147 WeakPolarHBondContact O-CB 3.44Å; I143-N147 PolarHBondContact O-N 3.15Å; N147-K150 WeakPolarHBondContact O-CB 3.29Å; N147-K150 PolarHBondContact O-N 3.11Å; N147-M151 WeakPolarHBondContact O-CG 3.46Å; N147-M151 PolarHBondContact O-N 3.24Å
148I93.7Very high92.4Very high49 Ų4959.3 Ų59.325%0.25129%0.286SS..Hα-helixtrans-67-43.9177.1-69169.3000111.5F118 S144 K150 M151 F152F118-I148 HydrophobicContact CB-CD1 4.34Å; F118-I148 HydrophobicContact CB-CG1 4.33Å; F118-I148 HydrophobicContact CD1-CG1 4.13Å; F118-I148 HydrophobicContact CD2-CD1 3.92Å; F118-I148 HydrophobicContact CD2-CG1 4.33Å; F118-I148 HydrophobicContact CE2-CD1 4.37Å; F118-I148 HydrophobicContact CG-CD1 4.04Å; F118-I148 HydrophobicContact CG-CG1 4.01Å; S144-I148 WeakPolarHBondContact O-CB 3.38Å; S144-I148 WeakPolarHBondContact O-CG1 3.46Å; S144-I148 PolarHBondContact O-N 3.23Å; I148-K150 VanDerWaalsContact C-N 3.28Å; I148-K150 PolarHBondContact O-N 2.84Å; I148-M151 HydrophobicContact CB-CE 4.22Å; I148-M151 HydrophobicContact CG1-CE 3.76Å; I148-M151 PolarHBondContact O-N 3.02Å; I148-F152 HydrophobicContact CG2-CD2 3.58Å; I148-F152 HydrophobicContact CG2-CE2 3.32Å; I148-F152 HydrophobicContact CG2-CZ 4.36Å; I148-F152 VanDerWaalsContact O-CD2 3.3Å; I148-F152 WeakPolarHBondContact O-CD2 3.49Å; I148-F152 PolarHBondContact O-N 2.61Å
149R93.2Very high92.3Very high79 Ų7963.8 Ų63.830%0.29831%0.307SS..Hα-helixtrans-59.4-43.6176.4-177.5179.7-64.6120.5-1111.2E145 V146 F152 W153 I165 S166E145-R149 WeakPolarHBondContact O-CB 3.31Å; E145-R149 PolarHBondContact O-N 2.66Å; E145-R149 IonicContact OE1-CZ 2.61Å; E145-R149 IonicContact OE1-NH1 3.86Å; E145-R149 PolarHBondContact OE1-NH1 3.48Å; E145-R149 IonicContact OE1-NH2 3.9Å; E145-R149 PolarHBondContact OE1-NH2 2.85Å; V146-R149 PolarHBondContact O-N 2.89Å; R149-F152 PolarHBondContact O-N 3.25Å; R149-W153 WeakPolarHBondContact O-CB 3.38Å; R149-W153 PolarHBondContact O-N 3.03Å; R149-W153 VanDerWaalsContact O-N 3.08Å; R149-I165 WeakPolarHBondContact CD-O 3.22Å; R149-S166 PolarHBondContact NH1-O 3.16Å
150K92.2Very high92.3Very high25 Ų2569.2 Ų69.211%0.10933%0.332CS..Hα-helixtrans-57.1-56.6174172.3166.4-173.8-177.70111.1E124 V146 N147 I148 F152 W153 E154 C161E124-K150 VanDerWaalsContact CD-NZ 3.27Å; E124-K150 IonicContact OE1-NZ 3.79Å; E124-K150 WeakPolarHBondContact OE2-CD 3.3Å; E124-K150 WeakPolarHBondContact OE2-CE 3.38Å; E124-K150 IonicContact OE2-NZ 2.65Å; E124-K150 PolarHBondContact OE2-NZ 2.85Å; V146-K150 VanDerWaalsContact O-CB 3.31Å; V146-K150 WeakPolarHBondContact O-CB 3.45Å; V146-K150 PolarHBondContact O-N 2.93Å; N147-K150 WeakPolarHBondContact O-CB 3.29Å; N147-K150 PolarHBondContact O-N 3.11Å; I148-K150 VanDerWaalsContact C-N 3.28Å; I148-K150 PolarHBondContact O-N 2.84Å; K150-F152 VanDerWaalsContact C-N 3.3Å; K150-F152 PolarHBondContact O-N 2.88Å; K150-W153 WeakPolarHBondContact O-CB 3.09Å; K150-W153 PolarHBondContact O-N 3.49Å; K150-E154 VanDerWaalsContact CE-CD 3.49Å; K150-E154 WeakPolarHBondContact CE-OE1 3.37Å; K150-E154 HydrophobicContact CG-CG 4.25Å; K150-E154 IonicContact NZ-OE1 3.03Å; K150-E154 WeakPolarHBondContact O-CG 3.35Å; K150-E154 PolarHBondContact O-N 3.29Å; K150-C161 HydrophobicContact CB-CB 4.33Å; K150-C161 HydrophobicContact CD-CB 4.36Å; K150-C161 HydrophobicContact CG-CB 3.75Å
151M92.4Very high92Very high76 Ų7669.9 Ų69.937%0.37434%0.337SS..Hα-helixtrans-54.2-44.3-179.6-73.8-175.9-6600112.5F118 N147 I148 W153 E154 L155F118-M151 HydrophobicContact CD1-CE 3.67Å; F118-M151 HydrophobicContact CE1-CE 3.59Å; F118-M151 HydrophobicContact CE1-SD 4.42Å; N147-M151 WeakPolarHBondContact O-CG 3.46Å; N147-M151 PolarHBondContact O-N 3.24Å; I148-M151 HydrophobicContact CB-CE 4.22Å; I148-M151 HydrophobicContact CG1-CE 3.76Å; I148-M151 PolarHBondContact O-N 3.02Å; M151-W153 PolarHBondContact O-N 2.66Å; M151-E154 PolarHBondContact O-N 3.49Å; M151-L155 WeakPolarHBondContact O-CB 3.38Å; M151-L155 WeakPolarHBondContact O-CG 3.49Å; M151-L155 PolarHBondContact O-N 3.01Å
152F93.8Very high91.9Very high139 Ų13970.6 Ų70.661%0.6134%0.341SS*.Hα-helixtrans-63.7-41.2177.7-77.7-51.6000112.8I148 R149 K150 L155 E156I148-F152 HydrophobicContact CG2-CD2 3.58Å; I148-F152 HydrophobicContact CG2-CE2 3.32Å; I148-F152 HydrophobicContact CG2-CZ 4.36Å; I148-F152 VanDerWaalsContact O-CD2 3.3Å; I148-F152 WeakPolarHBondContact O-CD2 3.49Å; I148-F152 PolarHBondContact O-N 2.61Å; R149-F152 PolarHBondContact O-N 3.25Å; K150-F152 VanDerWaalsContact C-N 3.3Å; K150-F152 PolarHBondContact O-N 2.88Å; F152-L155 PolarHBondContact O-N 3.42Å; F152-E156 WeakPolarHBondContact O-CB 3.09Å; F152-E156 PolarHBondContact O-N 2.9Å
153W92.7Very high91.7Very high51 Ų5171.8 Ų71.819%0.19335%0.345CS..Hα-helixtrans-65-41.8178.1-17090.9000112.2R149 K150 M151 E156 N157 K159 D160 C161 P162 I165R149-W153 WeakPolarHBondContact O-CB 3.38Å; R149-W153 PolarHBondContact O-N 3.03Å; R149-W153 VanDerWaalsContact O-N 3.08Å; K150-W153 WeakPolarHBondContact O-CB 3.09Å; K150-W153 PolarHBondContact O-N 3.49Å; M151-W153 PolarHBondContact O-N 2.66Å; W153-E156 PolarHBondContact O-N 3.43Å; W153-N157 HydrophobicContact CD2-CB 4.31Å; W153-N157 HydrophobicContact CE3-CB 4.16Å; W153-N157 HydrophobicContact CH2-CB 4.06Å; W153-N157 HydrophobicContact CZ2-CB 4.19Å; W153-N157 HydrophobicContact CZ3-CB 4.02Å; W153-N157 PolarHBondContact NE1-ND2 2.92Å; W153-N157 WeakPolarHBondContact O-CB 3.32Å; W153-N157 PolarHBondContact O-N 2.96Å; W153-N157 PolarHBondContact O-ND2 2.68Å; W153-K159 HydrophobicContact CH2-CB 4.25Å; W153-K159 HydrophobicContact CZ3-CB 4.03Å; W153-K159 WeakPolarHBondContact CZ3-O 3.38Å; W153-D160 VanDerWaalsContact CZ3-C 3.42Å; W153-D160 WeakPolarHBondContact CZ3-O 3.5Å; W153-C161 HydrophobicContact CB-CB 4.4Å; W153-C161 HydrophobicContact CD2-CB 4.08Å; W153-C161 HydrophobicContact CE3-CB 3.59Å; W153-C161 HydrophobicContact CG-CB 4.45Å; W153-C161 VanDerWaalsContact CZ3-CA 3.43Å; W153-C161 HydrophobicContact CZ3-CB 4.22Å; W153-P162 VanDerWaalsContact CH2-CD 3.4Å; W153-P162 HydrophobicContact CH2-CG 4.19Å; W153-P162 HydrophobicContact CZ2-CG 4.23Å; W153-I165 HydrophobicContact CG-CG2 4.32Å; W153-I165 HydrophobicContact CZ2-CD1 4.13Å
154E92.3Very high91.4Very high50 Ų5078 Ų7823%0.23437%0.374CS..Hα-helixtrans-67.7-38.3178.4-63.9-177.3153.300111.6K150 M151 E156 Q158 K159 C161K150-E154 VanDerWaalsContact CE-CD 3.49Å; K150-E154 WeakPolarHBondContact CE-OE1 3.37Å; K150-E154 HydrophobicContact CG-CG 4.25Å; K150-E154 IonicContact NZ-OE1 3.03Å; K150-E154 WeakPolarHBondContact O-CG 3.35Å; K150-E154 PolarHBondContact O-N 3.29Å; M151-E154 PolarHBondContact O-N 3.49Å; E154-E156 VanDerWaalsContact C-N 3.33Å; E154-E156 PolarHBondContact O-N 3.31Å; E154-Q158 WeakPolarHBondContact O-CA 3.2Å; E154-Q158 PolarHBondContact O-N 3.29Å; E154-K159 WeakPolarHBondContact CG-O 3.38Å; E154-C161 HydrophobicContact CG-CB 3.92Å; E154-C161 PolarHBondContact OE1-N 3.32Å
155L90.8Very high91.2Very high132 Ų13280.5 Ų80.569%0.69139%0.387SS*.Hα-helixtrans-63-39173.9-75.6170.1000112.3M151 F152M151-L155 WeakPolarHBondContact O-CB 3.38Å; M151-L155 WeakPolarHBondContact O-CG 3.49Å; M151-L155 PolarHBondContact O-N 3.01Å; F152-L155 PolarHBondContact O-N 3.42Å
156E89.8Confident90.9Very high154 Ų15476.1 Ų76.172%0.7237%0.366SS*.Hα-helixtrans-75.2-44179.5-175.1177.4-161.200112.4F152 W153 E154F152-E156 WeakPolarHBondContact O-CB 3.09Å; F152-E156 PolarHBondContact O-N 2.9Å; W153-E156 PolarHBondContact O-N 3.43Å; E154-E156 VanDerWaalsContact C-N 3.33Å; E154-E156 PolarHBondContact O-N 3.31Å
157N91.7Very high90.7Very high69 Ų6976.1 Ų76.137%0.36937%0.366SS..Hα-helixtrans-99.6-12.1-170.2-65.7-84000114.4W153 K159W153-N157 HydrophobicContact CD2-CB 4.31Å; W153-N157 HydrophobicContact CE3-CB 4.16Å; W153-N157 HydrophobicContact CH2-CB 4.06Å; W153-N157 HydrophobicContact CZ2-CB 4.19Å; W153-N157 HydrophobicContact CZ3-CB 4.02Å; W153-N157 PolarHBondContact NE1-ND2 2.92Å; W153-N157 WeakPolarHBondContact O-CB 3.32Å; W153-N157 PolarHBondContact O-N 2.96Å; W153-N157 PolarHBondContact O-ND2 2.68Å; N157-K159 PolarHBondContact O-N 2.84Å
158Q90.3Very high90.4Very high161 Ų16179.3 Ų79.375%0.75239%0.388SS*.SBendtrans53.634-176.9-56.7179.45.200113.6E154E154-Q158 WeakPolarHBondContact O-CA 3.2Å; E154-Q158 PolarHBondContact O-N 3.29Å
159K90.5Very high90.1Very high149 Ų14980.8 Ų80.865%0.64839%0.393SS*.SBendtrans-139.6164.4179.5-68176.5-173.2174.60108.8W153 E154 N157W153-K159 HydrophobicContact CH2-CB 4.25Å; W153-K159 HydrophobicContact CZ3-CB 4.03Å; W153-K159 WeakPolarHBondContact CZ3-O 3.38Å; E154-K159 WeakPolarHBondContact CG-O 3.38Å; N157-K159 PolarHBondContact O-N 2.84Å
160D89.6Confident89.7Confident142 Ų14278 Ų7876%0.75938%0.384SS*.PPolyproline II helixtrans-67.4132.4175.6-56.7-24.2000111.3W153 P162W153-D160 VanDerWaalsContact CZ3-C 3.42Å; W153-D160 WeakPolarHBondContact CZ3-O 3.5Å; D160-P162 WeakPolarHBondContact O-CD 3.47Å
161C88.2Confident88.8Confident15 Ų1582.1 Ų82.110%0.10141%0.407CS..PPolyproline II helixtrans-70.5124.6-177.2-170.40000112.7K150 W153 E154K150-C161 HydrophobicContact CB-CB 4.33Å; K150-C161 HydrophobicContact CD-CB 4.36Å; K150-C161 HydrophobicContact CG-CB 3.75Å; W153-C161 HydrophobicContact CB-CB 4.4Å; W153-C161 HydrophobicContact CD2-CB 4.08Å; W153-C161 HydrophobicContact CE3-CB 3.59Å; W153-C161 HydrophobicContact CG-CB 4.45Å; W153-C161 VanDerWaalsContact CZ3-CA 3.43Å; W153-C161 HydrophobicContact CZ3-CB 4.22Å; E154-C161 HydrophobicContact CG-CB 3.92Å; E154-C161 PolarHBondContact OE1-N 3.32Å
162P89.4Confident87.3Confident45 Ų4583.7 Ų83.729%0.29242%0.423SS..PPolyproline II helixtrans-60.3137.5170.5-22.532.5000112.1W153 D160 H164 I165 S166W153-P162 VanDerWaalsContact CH2-CD 3.4Å; W153-P162 HydrophobicContact CH2-CG 4.19Å; W153-P162 HydrophobicContact CZ2-CG 4.23Å; D160-P162 WeakPolarHBondContact O-CD 3.47Å; P162-H164 VanDerWaalsContact C-N 3.27Å; P162-H164 WeakPolarHBondContact CB-CE1 3.46Å; P162-H164 WeakPolarHBondContact CB-ND1 3.35Å; P162-H164 PolarHBondContact O-N 3.05Å; P162-I165 HydrophobicContact CB-CD1 4.36Å; P162-I165 HydrophobicContact CB-CG1 4.32Å; P162-I165 HydrophobicContact CG-CD1 4.07Å; P162-I165 WeakPolarHBondContact O-CB 3.35Å; P162-I165 PolarHBondContact O-N 2.88Å; P162-S166 PolarHBondContact O-N 3.31Å
163L86.8Confident85.6Confident60 Ų6082 Ų8231%0.31443%0.428SS..Hα-helixtrans-56-37.1-177.1-174.364.1000113.9I165 S166 A167 L170L163-I165 PolarHBondContact O-N 3.49Å; L163-S166 PolarHBondContact O-N 3.29Å; L163-S166 PolarHBondContact O-OG 3.37Å; L163-A167 HydrophobicContact CD1-CB 4.3Å; L163-A167 CarbonylContact O-C 3.51Å; L163-A167 PolarHBondContact O-N 3.01Å; L163-L170 HydrophobicContact CD1-CD1 4.24Å
164H88.7Confident83.7Confident130 Ų13083.5 Ų83.560%0.60244%0.443SS*.Hα-helixtrans-65.7-20.1178.772-85.9000113.5P162 P168P162-H164 VanDerWaalsContact C-N 3.27Å; P162-H164 WeakPolarHBondContact CB-CE1 3.46Å; P162-H164 WeakPolarHBondContact CB-ND1 3.35Å; P162-H164 PolarHBondContact O-N 3.05Å; H164-P168 WeakPolarHBondContact O-CA 2.98Å
165I88.7Confident81.5Confident54 Ų5485.4 Ų85.428%0.27746%0.458SS..Hα-helixtrans-87.6-48.6175.7-58.9-176.9000109.6R149 W153 P162 L163R149-I165 WeakPolarHBondContact CD-O 3.22Å; W153-I165 HydrophobicContact CG-CG2 4.32Å; W153-I165 HydrophobicContact CZ2-CD1 4.13Å; P162-I165 HydrophobicContact CB-CD1 4.36Å; P162-I165 HydrophobicContact CB-CG1 4.32Å; P162-I165 HydrophobicContact CG-CD1 4.07Å; P162-I165 WeakPolarHBondContact O-CB 3.35Å; P162-I165 PolarHBondContact O-N 2.88Å; L163-I165 PolarHBondContact O-N 3.49Å
166S88Confident79Confident1 Ų186.3 Ų86.31%0.00746%0.464CS..Hα-helixtrans-64-43.3-179.5620000111.6R149 P162 L163R149-S166 PolarHBondContact NH1-O 3.16Å; P162-S166 PolarHBondContact O-N 3.31Å; L163-S166 PolarHBondContact O-N 3.29Å; L163-S166 PolarHBondContact O-OG 3.37Å
167A89.1Confident76.4Confident0 Ų085.6 Ų85.60%047%0.465CS..  trans-133.276-175.100000111.4V146 L163 F169 L170V146-A167 HydrophobicContact CG1-CB 4Å; V146-A167 HydrophobicContact CG2-CB 4.06Å; L163-A167 HydrophobicContact CD1-CB 4.3Å; L163-A167 CarbonylContact O-C 3.51Å; L163-A167 PolarHBondContact O-N 3.01Å; A167-F169 HydrophobicContact CB-CE1 4.41Å; A167-F169 HydrophobicContact CB-CE2 4.49Å; A167-F169 HydrophobicContact CB-CZ 4.16Å; A167-F169 PolarHBondContact O-N 3.35Å; A167-F169 VanDerWaalsContact O-N 3.12Å; A167-L170 HydrophobicContact CB-CB 4.28Å; A167-L170 HydrophobicContact CB-CD1 3.47Å; A167-L170 VanDerWaalsContact CB-CD1 3.47Å; A167-L170 HydrophobicContact CB-CG 3.77Å; A167-L170 PolarHBondContact O-N 3.01Å; A167-L170 VanDerWaalsContact O-N 3.08Å
168P86.7Confident73.5Confident85 Ų8589.2 Ų89.255%0.55249%0.485SS*.THydrogen-bonded Turntrans-66.6-16.6-175.427.2-35.9000114.2H164H164-P168 WeakPolarHBondContact O-CA 2.98Å
169F88.1Confident70.9Confident79 Ų7989.1 Ų89.135%0.34649%0.488SS..THydrogen-bonded Turntrans-87.8-4.5178.156.1-98.2000113.2L128 Y138 T142 V146 A167L128-F169 HydrophobicContact CD2-CE2 4.26Å; L128-F169 HydrophobicContact CD2-CZ 4.33Å; Y138-F169 HydrophobicContact CD1-CE2 4Å; Y138-F169 AromaticContact CE1-CD2 3.88Å; Y138-F169 HydrophobicContact CE1-CD2 3.88Å; Y138-F169 AromaticContact CE1-CE2 3.61Å; Y138-F169 HydrophobicContact CE1-CE2 3.61Å; T142-F169 HydrophobicContact CG2-CE1 3.98Å; T142-F169 HydrophobicContact CG2-CE2 4.1Å; T142-F169 HydrophobicContact CG2-CZ 3.44Å; T142-F169 VanDerWaalsContact CG2-CZ 3.44Å; V146-F169 HydrophobicContact CG2-CE1 3.94Å; V146-F169 HydrophobicContact CG2-CZ 3.6Å; A167-F169 HydrophobicContact CB-CE1 4.41Å; A167-F169 HydrophobicContact CB-CE2 4.49Å; A167-F169 HydrophobicContact CB-CZ 4.16Å; A167-F169 PolarHBondContact O-N 3.35Å; A167-F169 VanDerWaalsContact O-N 3.12Å
170L84.1Confident68Low21 Ų2186.3 Ų86.311%0.1149%0.486CS..SBendtrans-87.9113.6173-66.2179.9000108.7E127 L128 Y138 L163 A167 P172E127-L170 HydrophobicContact CB-CD1 3.98Å; E127-L170 HydrophobicContact CB-CD2 4.44Å; L128-L170 HydrophobicContact CD2-CD1 4.26Å; Y138-L170 HydrophobicContact CE1-CD2 4.49Å; Y138-L170 HydrophobicContact CE2-CD2 4.03Å; Y138-L170 VanDerWaalsContact OH-CD2 3.25Å; Y138-L170 WeakPolarHBondContact OH-CD2 3.43Å; L163-L170 HydrophobicContact CD1-CD1 4.24Å; A167-L170 HydrophobicContact CB-CB 4.28Å; A167-L170 HydrophobicContact CB-CD1 3.47Å; A167-L170 VanDerWaalsContact CB-CD1 3.47Å; A167-L170 HydrophobicContact CB-CG 3.77Å; A167-L170 PolarHBondContact O-N 3.01Å; A167-L170 VanDerWaalsContact O-N 3.08Å; L170-P172 WeakPolarHBondContact O-CD 3.22Å
171D72.4Confident65Low111 Ų11186.8 Ų86.859%0.59449%0.488SS*.  trans-70.6121.6173.7-74.8-32.5000109.7S173 T174D171-S173 PolarHBondContact O-N 3.02Å; D171-T174 PolarHBondContact O-N 3.23Å; D171-T174 PolarHBondContact O-OG1 2.96Å
172P61.4Low62.1Low109 Ų10991.8 Ų91.871%0.70852%0.52SS*.THydrogen-bonded Turntrans-68.8-3.7178.827.4-33.8000113.4L170 T175L170-P172 WeakPolarHBondContact O-CD 3.22Å; P172-T175 PolarHBondContact O-OG1 3.04Å
173S59Low59.1Low103 Ų10396.8 Ų96.872%0.7255%0.545SS*.THydrogen-bonded Turntrans-88.6-16.7177.653.30000114.2D171 T175D171-S173 PolarHBondContact O-N 3.02Å; S173-T175 PolarHBondContact O-N 2.97Å
174T51.4Low56.1Low83 Ų83103.4 Ų103.451%0.50957%0.574SS.*SBendtrans-80.27.9-179.511.90000114.2D171 N176D171-T174 PolarHBondContact O-N 3.23Å; D171-T174 PolarHBondContact O-OG1 2.96Å; T174-N176 VanDerWaalsContact C-N 3.31Å; T174-N176 PolarHBondContact O-N 2.86Å
175T46.7Very low53Low90 Ų90105.5 Ų105.555%0.55258%0.581SS**THydrogen-bonded Turntrans-81.73.6-167.9-25.90000115.2P172 S173P172-T175 PolarHBondContact O-OG1 3.04Å; S173-T175 PolarHBondContact O-N 2.97Å
176N38.7Very low49.9Very low151 Ų151110.3 Ų110.381%0.80761%0.608SS**THydrogen-bonded Turntrans-119.26.8-170.5-86.2-6.7000117.6T174T174-N176 VanDerWaalsContact C-N 3.31Å; T174-N176 PolarHBondContact O-N 2.86Å
177D34.3Very low46.8Very low139 Ų139116.7 Ų116.774%0.74364%0.642SS**SBendtrans-124.3116.9176.7-64.2-41000111.5
178D32.5Very low43.9Very low146 Ų146121.6 Ų121.678%0.78167%0.673SS**  trans73.666.3160.2-53.7-27.6000119.1S180D178-S180 VanDerWaalsContact C-N 3.31Å
179I35.2Very low40.8Very low159 Ų159123.1 Ų123.182%0.81568%0.682SS**  trans-9470.2143.4-53.9172.5000107.7L181I179-L181 HydrophobicContact CG2-CG 4.41Å
180S28.1Very low37.9Very low89 Ų89125 Ų12562%0.62270%0.699SS**  trans-95.296152.150.10000106.6D178 P182D178-S180 VanDerWaalsContact C-N 3.31Å; S180-P182 VanDerWaalsContact O-CD 3.27Å; S180-P182 WeakPolarHBondContact O-CD 3.48Å
181L27.2Very low34.9Very low152 Ų152132.2 Ų132.280%0.79673%0.732SS**PPolyproline II helixtrans-51.4117.5162.3-76.3154.5000107.2I179 D183I179-L181 HydrophobicContact CG2-CG 4.41Å; L181-D183 PolarHBondContact O-N 3.36Å; L181-D183 VanDerWaalsContact O-N 3.12Å
182P28.5Very low32.8Very low120 Ų120134 Ų13478%0.77974%0.742SS**PPolyproline II helixtrans-66.5116.5177.9-16.630000108.4S180 E184S180-P182 VanDerWaalsContact O-CD 3.27Å; S180-P182 WeakPolarHBondContact O-CD 3.48Å; P182-E184 PolarHBondContact O-N 3.1Å
183D25.6Very low30.8Very low151 Ų151135.8 Ų135.881%0.80775%0.746SS**PPolyproline II helixtrans-49.8120.5167.5-84.3-40.4000109.2L181 K185L181-D183 PolarHBondContact O-N 3.36Å; L181-D183 VanDerWaalsContact O-N 3.12Å; D183-K185 VanDerWaalsContact C-N 3.33Å; D183-K185 PolarHBondContact O-N 3.33Å
184E24.3Very low29.4Very low198 Ų198136.2 Ų136.293%0.92575%0.748SS**  trans-5694.4164.3-79.2-175.7143.200109.4P182P182-E184 PolarHBondContact O-N 3.1Å
185K23.5Very low27.9Very low174 Ų174139.8 Ų139.876%0.75776%0.764SS**  trans-138.3101.9160.2-76.3-170.7-179.7167.50110.5D183D183-K185 VanDerWaalsContact C-N 3.33Å; D183-K185 PolarHBondContact O-N 3.33Å
186N23.4Very low26.9Very low155 Ų155142.6 Ų142.683%0.82978%0.776SS**  trans46.6119139.1-61.3-19.9000119
187D23Very low26.4Very low136 Ų136139.9 Ų139.973%0.72777%0.769SS**  trans-4.6138.3140.9-130.5-17.4000115.9T189D187-T189 PolarHBondContact OD1-N 3.36Å
188P28.1Very low25.8Very low102 Ų102142.7 Ų142.766%0.66277%0.774SS**  -142.5139.18434.7-18000115.3V190P188-V190 PolarHBondContact O-N 3.34Å
189T20.7Very low25.5Very low118 Ų118144.8 Ų144.872%0.72478%0.78SS**  trans-15115.3137.347.90000114.1D187D187-T189 PolarHBondContact OD1-N 3.36Å
190V28.6Very low24.7Very low117 Ų117144 Ų14471%0.70978%0.777SS**  trans-130.7108.7157.8178.30000108P188P188-V190 PolarHBondContact O-N 3.34Å
191E20.1Very low24.5Very low173 Ų173147.1 Ų147.181%0.80879%0.785SS**  trans-47.9129159.8-64.8169.7153.500110
192N28.8Very low24.2Very low148 Ų148146.7 Ų146.779%0.79178%0.784SS**  trans-12686.6154.9-88.4-35.2000107.1
193D19.7Very low24.1Very low148 Ų148147.4 Ų147.479%0.79179%0.785SS**  trans-66.5126.2149.1-81.3-33.2000108.4
194S29Very low24Very low111 Ų111148.6 Ų148.678%0.77679%0.786SS**  trans-158.197.2158.1-65.50000107.9
195D20.6Very low23.9Very low158 Ų158146.5 Ų146.585%0.84578%0.781SS**  trans-39.4141159.7-73.7-51.7000112.6
196D25.5Very low24Very low150 Ų150149.9 Ų149.980%0.80279%0.789SS**  -166.5129.6104.9-124.3-25000115
197S27.2Very low24.2Very low93 Ų93149.5 Ų149.565%0.6579%0.787SS**  trans68.594.5142.370.50000121.5
198K22.6Very low24.2Very low198 Ų198148 Ų14886%0.86179%0.788SS**  35.9117.6117.9-67.7174.9178.7168.50118.5
199Q24.7Very low24.1Very low191 Ų191150.2 Ų150.289%0.89379%0.794SS**  -150.4112.1117.6-107.1175.432.500110.6
200N20Very low24.4Very low142 Ų142151.7 Ų151.776%0.75980%0.797SS**  trans-68.8129.7166.2-74.5-24.3000109.5
201I24.1Very low24.2Very low155 Ų155157.9 Ų157.980%0.79581%0.81SS**  trans-135.6108.4141.3-62.4-176.7000106.9V203I201-V203 HydrophobicContact CG2-CG2 4.47Å
202D20.1Very low24.6Very low143 Ų143156.4 Ų156.477%0.76581%0.806SS**  trans-63.4122.7165.5-63.8-56.2000109.7
203V27.3Very low24.4Very low134 Ų134157.1 Ų157.181%0.81280%0.802SS**  trans-139.2116.5146.6-178.50000108.2I201I201-V203 HydrophobicContact CG2-CG2 4.47Å
204E22.5Very low24.7Very low177 Ų177157.3 Ų157.383%0.82780%0.8SS**  trans-58.3138.3178-62.6172.8140.100113.4
205N22.1Very low24.6Very low154 Ų154160.3 Ų160.382%0.82480%0.799SS**  trans16.3109.2140.3-93.2-18.2000118.1
206R26.1Very low25.2Very low244 Ų244157.1 Ų157.192%0.92179%0.789SS**  trans-139.7104.5136.6-70.1-167-178.7178.50.9110.6
207N26.6Very low25.5Very low147 Ų147157.5 Ų157.579%0.78679%0.786SS**  trans30.3117.3146-64.8-8000119.5D209N207-D209 PolarHBondContact O-N 3.15Å
208S24.6Very low25.5Very low106 Ų106161.4 Ų161.474%0.74179%0.791SS**  -9.4112.8129.8-47.50000114.7
209D24.7Very low25.9Very low148 Ų148158.9 Ų158.979%0.79179%0.787SS**  trans16797.2131.9-81.7-16.5000107.5N207N207-D209 PolarHBondContact O-N 3.15Å
210D27.7Very low26.2Very low149 Ų149158.4 Ų158.480%0.79778%0.782SS**  trans-177.472148.1-92.4-20.2000109.9I212D210-I212 PolarHBondContact O-N 3.14Å
211Y24.9Very low26.5Very low246 Ų246159.6 Ų159.697%0.96578%0.783SS**  trans-80.374.8158.8-97.2-91.5000108.5
212I27.4Very low26.8Very low142 Ų142159.1 Ų159.173%0.72878%0.777SS**  trans-118.699.6163.6-61.5-175.1000108.9D210D210-I212 PolarHBondContact O-N 3.14Å
213F24.1Very low27.4Very low164 Ų164159.1 Ų159.172%0.71977%0.773SS**  trans57.565.3141.7-135.8-97.5000117.8K215F213-K215 HydrophobicContact CD1-CB 3.64Å; F213-K215 HydrophobicContact CE1-CB 3.48Å; F213-K215 VanDerWaalsContact CE1-CB 3.48Å; F213-K215 HydrophobicContact CE1-CD 3.63Å; F213-K215 HydrophobicContact CE1-CG 4.15Å; F213-K215 HydrophobicContact CZ-CB 4.4Å; F213-K215 HydrophobicContact CZ-CD 3.98Å; F213-K215 PolarHBondContact O-N 2.85Å
214M26Very low27.5Very low152 Ų152161.8 Ų161.875%0.74977%0.773SS**  trans-73.575.7159.2-78.9-77.6-95.500110.4
215K28.2Very low27.7Very low174 Ų174158.1 Ų158.176%0.75776%0.763SS**  trans-101.232.2166.9-159174.8179.4174.20112.3F213F213-K215 HydrophobicContact CD1-CB 3.64Å; F213-K215 HydrophobicContact CE1-CB 3.48Å; F213-K215 VanDerWaalsContact CE1-CB 3.48Å; F213-K215 HydrophobicContact CE1-CD 3.63Å; F213-K215 HydrophobicContact CE1-CG 4.15Å; F213-K215 HydrophobicContact CZ-CB 4.4Å; F213-K215 HydrophobicContact CZ-CD 3.98Å; F213-K215 PolarHBondContact O-N 2.85Å
216S32.6Very low28.2Very low90 Ų90153.8 Ų153.863%0.62974%0.744SS**SBendtrans-138.57.6-174.2440000118.4
217E31.2Very low28.4Very low158 Ų158145.7 Ų145.774%0.73873%0.73SS**SBendtrans-124.38.1179.7-72.7-163.214900117.6
218K28.3Very low28.4Very low175 Ų175145.2 Ų145.276%0.76173%0.727SS**SBendtrans-89.42.9171.2-121.8-179.1-178.8-1730115.9K220K218-K220 VanDerWaalsContact C-N 3.28Å; K218-K220 PolarHBondContact O-N 2.91Å
219L31.4Very low28.6Very low146 Ų146149.5 Ų149.576%0.76473%0.728SS**THydrogen-bonded Turntrans-81.915.1178.1-84.7166.7000115.4
220K30.1Very low28.8Very low181 Ų181149.9 Ų149.979%0.78772%0.723SS**THydrogen-bonded Turntrans-126.65-178.9-70.8-172.2178.9177.70116.5K218K218-K220 VanDerWaalsContact C-N 3.28Å; K218-K220 PolarHBondContact O-N 2.91Å
221Q27.6Very low28.8Very low167 Ų167147.3 Ų147.378%0.7872%0.716SS**SBendtrans-111.9-12173.5-84.8177.2-14.500114.6
222E30.2Very low28.8Very low144 Ų144144.3 Ų144.367%0.67371%0.71SS**THydrogen-bonded Turntrans-88.6-3.5174.4-72.8175.6176.600113.8K224 S226E222-K224 VanDerWaalsContact C-N 3.28Å; E222-K224 PolarHBondContact O-N 3.13Å; E222-S226 PolarHBondContact O-OG 3.23Å
223E31.8Very low28.6Very low144 Ų144144.8 Ų144.867%0.67371%0.71SS**THydrogen-bonded Turntrans-74.4-12.2172.8-77.6-171.5154.800114S226E223-S226 WeakPolarHBondContact CA-OG 3.22Å; E223-S226 PolarHBondContact O-OG 3.2Å
224K29.1Very low28.7Very low190 Ų190145.8 Ų145.883%0.82672%0.716SS**THydrogen-bonded Turntrans-93.4-19.1179.5-75.5-172.9177.6-179.40114.8E222E222-K224 VanDerWaalsContact C-N 3.28Å; E222-K224 PolarHBondContact O-N 3.13Å
225T27.2Very low28.8Very low100 Ų100144.1 Ų144.161%0.61372%0.72SS**THydrogen-bonded Turntrans-93.6-17.5173.344.30000112.7
226S33.4Very low28.9Very low62 Ų62144.5 Ų144.543%0.43472%0.721SS.*THydrogen-bonded Turntrans-80.8-11.6174.846.70000114.5E222 E223E222-S226 PolarHBondContact O-OG 3.23Å; E223-S226 WeakPolarHBondContact CA-OG 3.22Å; E223-S226 PolarHBondContact O-OG 3.2Å
227A29.6Very low29Very low74 Ų74148.2 Ų148.261%0.61273%0.734SS**THydrogen-bonded Turntrans-81.4-24.2174.200000113.4
228L26.5Very low29.3Very low138 Ų138144.7 Ų144.772%0.72373%0.727SS**THydrogen-bonded Turntrans-86.9-18.7-175.5-165.663.1000113.4
229Y28.2Very low29.8Very low195 Ų195141.5 Ų141.577%0.76572%0.718SS**SBendtrans-993.4176.9-80.8-80.7000114.4S231Y229-S231 VanDerWaalsContact C-N 3.34Å; Y229-S231 PolarHBondContact O-N 3.41Å
230K29.1Very low30.5Very low157 Ų157142.4 Ų142.468%0.68372%0.719SS**THydrogen-bonded Turntrans-84.23.9176.5-94.5-178.5176.1177.60115.5
231S27.5Very low31.2Very low94 Ų94138.2 Ų138.266%0.65771%0.705SS**THydrogen-bonded Turntrans-105.34.5176.753.20000114.8Y229Y229-S231 VanDerWaalsContact C-N 3.34Å; Y229-S231 PolarHBondContact O-N 3.41Å
232H24.5Very low32.3Very low183 Ų183132.9 Ų132.985%0.84769%0.686SS**SBendtrans-132.947.2170.6-88.8-68.1000111.4
233E24.4Very low32.9Very low153 Ų153132 Ų13272%0.71568%0.68SS**  trans-112.254.7173.5-127174.9-163.400109.7
234E26.1Very low33.8Very low184 Ų184129.4 Ų129.486%0.8667%0.674SS**SBendtrans-131.6110.3159.8-76-173.9167.600107.2
235S28.4Very low34.9Very low117 Ų117125.4 Ų125.482%0.81866%0.657SS**SBendtrans88.866.7173.175.80000120.3
236K28.9Very low36Very low182 Ų182126.1 Ų126.179%0.79165%0.653SS**  trans-141.520.6155.5-90.8-163.8-178.11770116.6S238K236-S238 PolarHBondContact O-N 3.09Å; K236-S238 VanDerWaalsContact O-N 3.09Å
237D34.6Very low36.8Very low168 Ų168130.2 Ų130.290%0.89866%0.664SS**THydrogen-bonded Turntrans-80.323.9176.9-110.4-7.6000114.8
238S38.7Very low38.3Very low85 Ų85133.6 Ų133.659%0.59467%0.671SS**THydrogen-bonded Turntrans-109.6-15.7-179.249.90000115.1K236K236-S238 PolarHBondContact O-N 3.09Å; K236-S238 VanDerWaalsContact O-N 3.09Å
239N39.4Very low40Very low107 Ų107133.2 Ų133.257%0.57267%0.67SS**SBendtrans-90.9-36.6-171.9-79.6-5.5000114.3S242 F243N239-S242 WeakPolarHBondContact O-CB 3.32Å; N239-S242 PolarHBondContact O-N 2.87Å; N239-S242 PolarHBondContact O-OG 3.18Å; N239-F243 PolarHBondContact O-N 2.85Å
240E44.8Very low41.3Very low165 Ų165128.2 Ų128.277%0.77166%0.66SS**Hα-helixtrans-72.1-39.1-177.6-71.8-173.1164.800112.4S242 F243E240-S242 PolarHBondContact O-N 3.22Å; E240-F243 PolarHBondContact O-N 3.16Å; E240-F243 VanDerWaalsContact O-N 3.15Å
241D45.5Very low42.5Very low93 Ų93128.8 Ų128.850%0.49767%0.665SS.*Hα-helixtrans-65.5-20.6173.5-127.834.7000112.5K245D241-K245 WeakPolarHBondContact O-CB 3.43Å; D241-K245 WeakPolarHBondContact O-CD 3.44Å; D241-K245 WeakPolarHBondContact O-CG 3.15Å; D241-K245 IonicContact OD2-NZ 2.66Å; D241-K245 PolarHBondContact OD2-NZ 3.25Å
242S50.1Low44.4Very low55 Ų55132.9 Ų132.939%0.38567%0.668SS.*Hα-helixtrans-78.9-32.2175.282.50000112.3N239 E240 Q246N239-S242 WeakPolarHBondContact O-CB 3.32Å; N239-S242 PolarHBondContact O-N 2.87Å; N239-S242 PolarHBondContact O-OG 3.18Å; E240-S242 PolarHBondContact O-N 3.22Å; S242-Q246 VanDerWaalsContact O-CB 3.29Å; S242-Q246 WeakPolarHBondContact O-CB 3.39Å; S242-Q246 PolarHBondContact O-N 2.94Å
243F42.7Very low46.4Very low126 Ų126129.9 Ų129.955%0.55366%0.662SS**Hα-helixtrans-75.9-41.1-173-148.2-99.3000111.9N239 E240 Q246 F247N239-F243 PolarHBondContact O-N 2.85Å; E240-F243 PolarHBondContact O-N 3.16Å; E240-F243 VanDerWaalsContact O-N 3.15Å; F243-Q246 WeakPolarHBondContact O-CB 3.18Å; F243-Q246 PolarHBondContact O-N 3.31Å; F243-F247 HydrophobicContact CD1-CD2 4.44Å; F243-F247 AromaticContact CD1-CE2 3.94Å; F243-F247 HydrophobicContact CD1-CE2 3.94Å; F243-F247 AromaticContact CE1-CE2 3.7Å; F243-F247 HydrophobicContact CE1-CE2 3.7Å; F243-F247 HydrophobicContact CE1-CZ 4.49Å; F243-F247 WeakPolarHBondContact O-CD2 3.14Å; F243-F247 PolarHBondContact O-N 2.95Å
244T50.8Low48.3Very low89 Ų89126.5 Ų126.555%0.54665%0.653SS.*Hα-helixtrans-69.4-41.1173.447.50000111.8Q246 F247 D248T244-Q246 PolarHBondContact O-N 3.24Å; T244-F247 PolarHBondContact O-N 3.37Å; T244-D248 PolarHBondContact O-N 2.66Å
245K52.1Low49.8Very low106 Ų106124.9 Ų124.946%0.46165%0.65SS.*Hα-helixtrans-64-26.8172-71.7175-163.4153.60112.7D241 N249D241-K245 WeakPolarHBondContact O-CB 3.43Å; D241-K245 WeakPolarHBondContact O-CD 3.44Å; D241-K245 WeakPolarHBondContact O-CG 3.15Å; D241-K245 IonicContact OD2-NZ 2.66Å; D241-K245 PolarHBondContact OD2-NZ 3.25Å; K245-N249 VanDerWaalsContact O-CB 3.23Å; K245-N249 WeakPolarHBondContact O-CB 3.08Å; K245-N249 PolarHBondContact O-N 2.94Å; K245-N249 VanDerWaalsContact O-N 3.12Å; K245-N249 PolarHBondContact O-ND2 2.88Å
246Q51.6Low51.3Low115 Ų115125.1 Ų125.154%0.53764%0.641SS.*Hα-helixtrans-68.9-42.8176.3-167.5171.7400110.9S242 F243 T244 N249 T250S242-Q246 VanDerWaalsContact O-CB 3.29Å; S242-Q246 WeakPolarHBondContact O-CB 3.39Å; S242-Q246 PolarHBondContact O-N 2.94Å; F243-Q246 WeakPolarHBondContact O-CB 3.18Å; F243-Q246 PolarHBondContact O-N 3.31Å; T244-Q246 PolarHBondContact O-N 3.24Å; Q246-N249 PolarHBondContact O-N 3.48Å; Q246-T250 WeakPolarHBondContact O-CB 3.5Å; Q246-T250 PolarHBondContact O-N 3.24Å; Q246-T250 PolarHBondContact O-OG1 3.23Å
247F49.5Very low52.7Low148 Ų148122.7 Ų122.765%0.64964%0.636SS**Hα-helixtrans-66.1-39.5176.8-80.3-76.1000113.4F243 T244 N249F243-F247 HydrophobicContact CD1-CD2 4.44Å; F243-F247 AromaticContact CD1-CE2 3.94Å; F243-F247 HydrophobicContact CD1-CE2 3.94Å; F243-F247 AromaticContact CE1-CE2 3.7Å; F243-F247 HydrophobicContact CE1-CE2 3.7Å; F243-F247 HydrophobicContact CE1-CZ 4.49Å; F243-F247 WeakPolarHBondContact O-CD2 3.14Å; F243-F247 PolarHBondContact O-N 2.95Å; T244-F247 PolarHBondContact O-N 3.37Å; F247-N249 VanDerWaalsContact C-N 3.31Å; F247-N249 PolarHBondContact O-N 2.62Å
248D61.2Low53.8Low145 Ų145118.1 Ų118.178%0.77562%0.621SS**Hα-helixtrans-70-27.9177.3-77.3-16.9000112.8T244T244-D248 PolarHBondContact O-N 2.66Å
249N62.5Low54.9Low130 Ų130120 Ų12070%0.69562%0.624SS**Hα-helixtrans-98.9-6.6-179.1-65.1-34.4000114.2K245 Q246 F247 E251K245-N249 VanDerWaalsContact O-CB 3.23Å; K245-N249 WeakPolarHBondContact O-CB 3.08Å; K245-N249 PolarHBondContact O-N 2.94Å; K245-N249 VanDerWaalsContact O-N 3.12Å; K245-N249 PolarHBondContact O-ND2 2.88Å; Q246-N249 PolarHBondContact O-N 3.48Å; F247-N249 VanDerWaalsContact C-N 3.31Å; F247-N249 PolarHBondContact O-N 2.62Å; N249-E251 PolarHBondContact O-N 3.35Å; N249-E251 VanDerWaalsContact O-N 3.12Å
250T54.7Low56.1Low91 Ų91119.9 Ų119.956%0.55863%0.628SS**SBendtrans-74.7106.6175.4-54.40000107.3Q246 Y252Q246-T250 WeakPolarHBondContact O-CB 3.5Å; Q246-T250 PolarHBondContact O-N 3.24Å; Q246-T250 PolarHBondContact O-OG1 3.23Å; T250-Y252 PolarHBondContact O-N 3.15Å
251E55.8Low57.4Low168 Ų168120.2 Ų120.279%0.78563%0.627SS**  trans-53.4126.2171.4-171.5172.3-172.400108.2N249 V253N249-E251 PolarHBondContact O-N 3.35Å; N249-E251 VanDerWaalsContact O-N 3.12Å; E251-V253 PolarHBondContact O-N 2.64Å
252Y65.3Low59Low181 Ų181123.3 Ų123.371%0.7164%0.636SS**  trans-61.3101.8174.6173.2-99.2000108T250 P254T250-Y252 PolarHBondContact O-N 3.15Å; Y252-P254 HydrophobicContact CD1-CG 4.3Å; Y252-P254 HydrophobicContact CE1-CB 4.09Å; Y252-P254 HydrophobicContact CE1-CG 4.06Å; Y252-P254 VanDerWaalsContact O-CD 3.28Å; Y252-P254 WeakPolarHBondContact O-CD 3.46Å
253V67.7Low60.5Low120 Ų120124.4 Ų124.473%0.72764%0.64SS**  trans-77.7113.5167.6-176.10000105.7E251 L255E251-V253 PolarHBondContact O-N 2.64Å; V253-L255 PolarHBondContact O-N 3.46Å
254P63.1Low62.4Low82 Ų82121.6 Ų121.653%0.53263%0.631SS.*  trans-54.8136.2171-17.930.6000107.9Y252 D256Y252-P254 HydrophobicContact CD1-CG 4.3Å; Y252-P254 HydrophobicContact CE1-CB 4.09Å; Y252-P254 HydrophobicContact CE1-CG 4.06Å; Y252-P254 VanDerWaalsContact O-CD 3.28Å; Y252-P254 WeakPolarHBondContact O-CD 3.46Å; P254-D256 PolarHBondContact O-N 3.4Å; P254-D256 VanDerWaalsContact O-N 3.13Å
255L59.5Low63.9Low150 Ų150126.2 Ų126.279%0.78564%0.644SS**  trans-44.6127.1170-74.7164.5000108.2V253 I257V253-L255 PolarHBondContact O-N 3.46Å; L255-I257 VanDerWaalsContact C-N 3.32Å; L255-I257 WeakPolarHBondContact O-CG1 3.49Å; L255-I257 PolarHBondContact O-N 2.93Å
256D59.5Low65.4Low121 Ų121124.3 Ų124.365%0.64764%0.638SS**  trans-63.1100.5177.2-170.63000108.1P254 A258 N259P254-D256 PolarHBondContact O-N 3.4Å; P254-D256 VanDerWaalsContact O-N 3.13Å; D256-A258 PolarHBondContact O-N 3.04Å; D256-A258 WeakPolarHBondContact OD1-CB 3.19Å; D256-A258 PolarHBondContact OD1-N 3.26Å; D256-A258 VanDerWaalsContact OD1-N 3.08Å; D256-N259 PolarHBondContact O-N 2.87Å
257I57Low66.8Low132 Ų132123 Ų12368%0.67764%0.64SS**G310 helixtrans-60.3-13.5179.7-54.1168.7000109.2L255 N259 T260L255-I257 VanDerWaalsContact C-N 3.32Å; L255-I257 WeakPolarHBondContact O-CG1 3.49Å; L255-I257 PolarHBondContact O-N 2.93Å; I257-N259 PolarHBondContact O-N 2.78Å; I257-T260 HydrophobicContact CG2-CG2 3.52Å; I257-T260 WeakPolarHBondContact O-CG2 3.32Å; I257-T260 PolarHBondContact O-N 2.82Å; I257-T260 VanDerWaalsContact O-N 3.11Å
258A57.7Low67.8Low71 Ų71120.3 Ų120.359%0.58764%0.639SS**G310 helixtrans-55-34.3174.400000113.1D256 T260D256-A258 PolarHBondContact O-N 3.04Å; D256-A258 WeakPolarHBondContact OD1-CB 3.19Å; D256-A258 PolarHBondContact OD1-N 3.26Å; D256-A258 VanDerWaalsContact OD1-N 3.08Å; A258-T260 VanDerWaalsContact C-N 3.26Å; A258-T260 PolarHBondContact O-N 2.93Å
259N62.2Low68.4Low124 Ų124119.4 Ų119.466%0.66363%0.634SS**G310 helixtrans-90.844.3175.4-73.9-15.1000112.3D256 I257 F261D256-N259 PolarHBondContact O-N 2.87Å; I257-N259 PolarHBondContact O-N 2.78Å; N259-F261 PolarHBondContact O-N 2.98Å
260T64.6Low69.3Low106 Ų106113.5 Ų113.565%0.6560%0.602SS**  trans-65.1122.6170.852.20000110.8I257 A258I257-T260 HydrophobicContact CG2-CG2 3.52Å; I257-T260 WeakPolarHBondContact O-CG2 3.32Å; I257-T260 PolarHBondContact O-N 2.82Å; I257-T260 VanDerWaalsContact O-N 3.11Å; A258-T260 VanDerWaalsContact C-N 3.26Å; A258-T260 PolarHBondContact O-N 2.93Å
261F72.5Confident70.5Confident172 Ų172110.7 Ų110.775%0.75458%0.583SS**  trans-100.3140.216357.8-83.3000109.3N259 V263N259-F261 PolarHBondContact O-N 2.98Å; F261-V263 HydrophobicContact CD2-CG2 3.46Å; F261-V263 VanDerWaalsContact CD2-CG2 3.46Å; F261-V263 HydrophobicContact CE2-CG2 3.31Å
262K78.3Confident71.6Confident158 Ų158104.6 Ų104.669%0.68756%0.555SS**  trans-88.5110.8177.9-176178.6179.3-1800109.6N264K262-N264 VanDerWaalsContact CE-OD1 3.3Å; K262-N264 WeakPolarHBondContact CE-OD1 3.43Å
263V81.7Confident72.4Confident77 Ų7797.3 Ų97.347%0.46753%0.529SS..  trans-90126.5171.2-174.30000109.8F261 F265F261-V263 HydrophobicContact CD2-CG2 3.46Å; F261-V263 VanDerWaalsContact CD2-CG2 3.46Å; F261-V263 HydrophobicContact CE2-CG2 3.31Å; V263-F265 HydrophobicContact CB-CE2 4.19Å; V263-F265 HydrophobicContact CB-CZ 4.4Å; V263-F265 HydrophobicContact CG1-CD1 4.5Å; V263-F265 HydrophobicContact CG1-CD2 4.25Å; V263-F265 HydrophobicContact CG1-CE1 4.05Å; V263-F265 HydrophobicContact CG1-CE2 3.78Å; V263-F265 HydrophobicContact CG1-CZ 3.67Å
264N82.5Confident73.1Confident68 Ų6892.3 Ų92.336%0.36450%0.498SS..  trans-103.6114.8173.3-64.1-39.8000109.2K262 L281K262-N264 VanDerWaalsContact CE-OD1 3.3Å; K262-N264 WeakPolarHBondContact CE-OD1 3.43Å; N264-L281 HydrophobicContact CB-CD2 4.4Å
265F83.1Confident73.7Confident186 Ų18688.7 Ų88.782%0.81647%0.474SS*.  trans-88.4120174.3-63.9-82.1000110.1V263V263-F265 HydrophobicContact CB-CE2 4.19Å; V263-F265 HydrophobicContact CB-CZ 4.4Å; V263-F265 HydrophobicContact CG1-CD1 4.5Å; V263-F265 HydrophobicContact CG1-CD2 4.25Å; V263-F265 HydrophobicContact CG1-CE1 4.05Å; V263-F265 HydrophobicContact CG1-CE2 3.78Å; V263-F265 HydrophobicContact CG1-CZ 3.67Å
266L82.9Confident74.5Confident65 Ų6584 Ų8434%0.3445%0.45SS..  trans-116.2147.1176-61.4176000110L274 Y278 F282L266-L274 HydrophobicContact CD1-CD2 3.6Å; L266-Y278 HydrophobicContact CD2-CD1 3.88Å; L266-Y278 HydrophobicContact CD2-CE1 3.73Å; L266-Y278 HydrophobicContact CD2-CG 4.38Å; L266-F282 HydrophobicContact CD1-CZ 4.33Å
267P82.3Confident75.3Confident87 Ų8785.5 Ų85.557%0.56545%0.446SS*.  trans-56.9144.4171.6-21.928.1000111.9N269 S270P267-N269 VanDerWaalsContact C-N 3.26Å; P267-N269 PolarHBondContact O-N 2.71Å; P267-N269 VanDerWaalsContact O-N 3.13Å; P267-S270 WeakPolarHBondContact CB-OG 3.37Å; P267-S270 WeakPolarHBondContact CD-OG 3.36Å; P267-S270 WeakPolarHBondContact O-CA 3.04Å; P267-S270 WeakPolarHBondContact O-CB 3.38Å; P267-S270 PolarHBondContact O-N 3.4Å; P267-S270 PolarHBondContact O-OG 2.92Å
268C70.4Confident76.1Confident93 Ų9381.4 Ų81.463%0.62842%0.422SS*.G310 helixtrans-54.4-38.2-174.9-54.70000114.1S270C268-S270 PolarHBondContact O-N 2.8Å
269N73.7Confident76.9Confident126 Ų12682.6 Ų82.667%0.67441%0.412SS*.G310 helixtrans-76.5-3.7-179.9-60.7-7000113.3P267 F271P267-N269 VanDerWaalsContact C-N 3.26Å; P267-N269 PolarHBondContact O-N 2.71Å; P267-N269 VanDerWaalsContact O-N 3.13Å; N269-F271 PolarHBondContact O-N 3.02Å
270S79.7Confident77.3Confident5 Ų581.5 Ų81.54%0.03541%0.414CS..G310 helixtrans-69.9-14.9-177.8-590000113.1P267 C268 L272 D273 L274 Y278P267-S270 WeakPolarHBondContact CB-OG 3.37Å; P267-S270 WeakPolarHBondContact CD-OG 3.36Å; P267-S270 WeakPolarHBondContact O-CA 3.04Å; P267-S270 WeakPolarHBondContact O-CB 3.38Å; P267-S270 PolarHBondContact O-N 3.4Å; P267-S270 PolarHBondContact O-OG 2.92Å; C268-S270 PolarHBondContact O-N 2.8Å; S270-L272 PolarHBondContact O-N 3.14Å; S270-D273 CarbonylContact O-C 3.6Å; S270-D273 WeakPolarHBondContact O-CA 3.45Å; S270-D273 PolarHBondContact O-N 3.29Å; S270-L274 WeakPolarHBondContact O-CG 3.45Å; S270-L274 PolarHBondContact O-N 3.06Å; S270-Y278 VanDerWaalsContact CB-CE2 3.48Å; S270-Y278 PolarHBondContact OG-OH 3.04Å
271F80.8Confident77.8Confident33 Ų3380 Ų8015%0.14540%0.401CS..G310 helixtrans-52.6-43.6179.7-170.2-103.4000111.9N269 D273 L274 I304 L311 L312 L315 F369N269-F271 PolarHBondContact O-N 3.02Å; F271-D273 PolarHBondContact O-N 2.72Å; F271-L274 HydrophobicContact CD2-CD1 3.75Å; F271-L274 HydrophobicContact CE2-CD1 4.24Å; F271-L274 HydrophobicContact CG-CD1 4.42Å; F271-L274 WeakPolarHBondContact O-CB 3.27Å; F271-L274 WeakPolarHBondContact O-CG 3.4Å; F271-L274 PolarHBondContact O-N 3.37Å; F271-I304 HydrophobicContact CZ-CD1 4.38Å; F271-L311 HydrophobicContact CB-CD1 3.95Å; F271-L311 HydrophobicContact CD1-CB 3.84Å; F271-L311 HydrophobicContact CE1-CB 4.43Å; F271-L311 HydrophobicContact CG-CD1 4.39Å; F271-L312 HydrophobicContact CE1-CD2 4.34Å; F271-L312 HydrophobicContact CZ-CD2 4.37Å; F271-L315 HydrophobicContact CE1-CD2 3.84Å; F271-L315 HydrophobicContact CZ-CD2 4.4Å; F271-F369 HydrophobicContact CE1-CE2 4.36Å; F271-F369 AromaticContact CE2-CE2 3.98Å; F271-F369 HydrophobicContact CE2-CE2 3.98Å; F271-F369 HydrophobicContact CE2-CZ 4.21Å; F271-F369 AromaticContact CZ-CE2 3.67Å; F271-F369 HydrophobicContact CZ-CE2 3.67Å; F271-F369 AromaticContact CZ-CZ 3.7Å; F271-F369 HydrophobicContact CZ-CZ 3.7Å
272L79.5Confident77.8Confident39 Ų3972.9 Ų72.920%0.20437%0.37CS..G310 helixtrans-69.1-21.1177.9-59.2177.7000113.8S270 D314 L315 R318S270-L272 PolarHBondContact O-N 3.14Å; L272-D314 HydrophobicContact CD1-CB 4.23Å; L272-D314 HydrophobicContact CD2-CB 3.89Å; L272-L315 HydrophobicContact CD2-CB 3.98Å; L272-L315 HydrophobicContact CD2-CD1 4.38Å; L272-R318 PolarHBondContact O-NH1 3.36Å
273D81.7Confident77.4Confident29 Ų2966.5 Ų66.516%0.15534%0.343CS..G310 helixtrans-101.2-2.4-177.9-72.4-17.5000112.2S270 F271 I276 R277 Y278 R318S270-D273 CarbonylContact O-C 3.6Å; S270-D273 WeakPolarHBondContact O-CA 3.45Å; S270-D273 PolarHBondContact O-N 3.29Å; F271-D273 PolarHBondContact O-N 2.72Å; D273-I276 CarbonylContact O-C 3.57Å; D273-I276 PolarHBondContact O-N 3.22Å; D273-I276 VanDerWaalsContact O-N 3.14Å; D273-R277 HydrophobicContact CB-CB 4.03Å; D273-R277 PolarHBondContact O-N 3.07Å; D273-R277 IonicContact OD2-CZ 3.3Å; D273-R277 VanDerWaalsContact OD2-CZ 3.3Å; D273-R277 IonicContact OD2-NE 3.64Å; D273-R277 IonicContact OD2-NH1 2.85Å; D273-R277 IonicContact OD2-NH2 3.75Å; D273-R277 PolarHBondContact OD2-NH2 3.1Å; D273-Y278 HydrophobicContact CB-CD2 4.4Å; D273-Y278 HydrophobicContact CB-CE2 4.29Å; D273-Y278 PolarHBondContact O-N 3.35Å; D273-R318 IonicContact OD1-CZ 3.68Å; D273-R318 IonicContact OD1-NH1 3.76Å; D273-R318 PolarHBondContact OD1-NH1 3.09Å; D273-R318 IonicContact OD1-NH2 3.99Å
274L81.9Confident76.4Confident14 Ų1468.5 Ų68.57%0.07335%0.346CS..THydrogen-bonded Turntrans-55-46.9177.3-67.2173.8000112.6L266 S270 F271 I276 Y278 R279 F282 L372L266-L274 HydrophobicContact CD1-CD2 3.6Å; S270-L274 WeakPolarHBondContact O-CG 3.45Å; S270-L274 PolarHBondContact O-N 3.06Å; F271-L274 HydrophobicContact CD2-CD1 3.75Å; F271-L274 HydrophobicContact CE2-CD1 4.24Å; F271-L274 HydrophobicContact CG-CD1 4.42Å; F271-L274 WeakPolarHBondContact O-CB 3.27Å; F271-L274 WeakPolarHBondContact O-CG 3.4Å; F271-L274 PolarHBondContact O-N 3.37Å; L274-I276 PolarHBondContact O-N 3.26Å; L274-I276 VanDerWaalsContact O-N 3.16Å; L274-Y278 HydrophobicContact CD2-CD2 4.24Å; L274-Y278 CarbonylContact O-C 3.44Å; L274-R279 PolarHBondContact O-N 2.99Å; L274-F282 HydrophobicContact CD2-CE2 3.8Å; L274-F282 HydrophobicContact CD2-CZ 4.27Å; L274-L372 HydrophobicContact CB-CD1 3.86Å
275P75.7Confident74.8Confident7 Ų768.9 Ų68.95%0.04535%0.354CS..THydrogen-bonded Turntrans-68.4-15.2-178.5-18.633.4000113.9F369 L372P275-F369 HydrophobicContact CG-CB 4.27Å; P275-F369 HydrophobicContact CG-CD2 4.49Å; P275-L372 HydrophobicContact CB-CD1 4.28Å; P275-L372 HydrophobicContact CG-CD1 4.02Å
276I76.1Confident73.1Confident52 Ų5266.8 Ų66.827%0.26736%0.356SS..THydrogen-bonded Turntrans-116.4-70.3-170.6-54.7165000110.4D273 L274 R318D273-I276 CarbonylContact O-C 3.57Å; D273-I276 PolarHBondContact O-N 3.22Å; D273-I276 VanDerWaalsContact O-N 3.14Å; L274-I276 PolarHBondContact O-N 3.26Å; L274-I276 VanDerWaalsContact O-N 3.16Å; I276-R318 VanDerWaalsContact CD1-NH2 3.26Å
277R76.7Confident71.2Confident151 Ų15169.2 Ų69.257%0.5737%0.37SS*.THydrogen-bonded Turntrans-73.8-37.2-171.2-169.5-176.7-58.8-177.16.9112.5D273D273-R277 HydrophobicContact CB-CB 4.03Å; D273-R277 PolarHBondContact O-N 3.07Å; D273-R277 IonicContact OD2-CZ 3.3Å; D273-R277 VanDerWaalsContact OD2-CZ 3.3Å; D273-R277 IonicContact OD2-NE 3.64Å; D273-R277 IonicContact OD2-NH1 2.85Å; D273-R277 IonicContact OD2-NH2 3.75Å; D273-R277 PolarHBondContact OD2-NH2 3.1Å
278Y74.8Confident69.1Low46 Ų4671.2 Ų71.218%0.1838%0.376CS..SBendtrans-103.710-176.4-56.5-75000112.9L266 S270 D273 L274 S280 L281 F282L266-Y278 HydrophobicContact CD2-CD1 3.88Å; L266-Y278 HydrophobicContact CD2-CE1 3.73Å; L266-Y278 HydrophobicContact CD2-CG 4.38Å; S270-Y278 VanDerWaalsContact CB-CE2 3.48Å; S270-Y278 PolarHBondContact OG-OH 3.04Å; D273-Y278 HydrophobicContact CB-CD2 4.4Å; D273-Y278 HydrophobicContact CB-CE2 4.29Å; D273-Y278 PolarHBondContact O-N 3.35Å; L274-Y278 HydrophobicContact CD2-CD2 4.24Å; L274-Y278 CarbonylContact O-C 3.44Å; Y278-S280 VanDerWaalsContact C-N 3.3Å; Y278-S280 PolarHBondContact O-N 3.29Å; Y278-L281 WeakPolarHBondContact O-CB 3.4Å; Y278-L281 PolarHBondContact O-N 3.11Å; Y278-F282 WeakPolarHBondContact O-CD2 2.98Å
279R73.5Confident68Low96 Ų9674.9 Ų74.936%0.36239%0.389SS..Hα-helixtrans-48.8-50.8178.8176.5-175.4171-175.70.1112.1L274 L281 F282 L283L274-R279 PolarHBondContact O-N 2.99Å; R279-L281 PolarHBondContact O-N 3.06Å; R279-L281 VanDerWaalsContact O-N 3.09Å; R279-F282 PolarHBondContact O-N 2.88Å; R279-L283 HydrophobicContact CG-CB 4.15Å; R279-L283 HydrophobicContact CG-CD1 4.11Å; R279-L283 PolarHBondContact O-N 3.13Å
280S71.6Confident66.5Low101 Ų10173.2 Ų73.271%0.70639%0.387SS*.Hα-helixtrans-61.8-18.5-177.558.60000114Y278 F282 L283Y278-S280 VanDerWaalsContact C-N 3.3Å; Y278-S280 PolarHBondContact O-N 3.29Å; S280-F282 VanDerWaalsContact C-N 3.33Å; S280-L283 WeakPolarHBondContact CA-O 3.29Å
281L73.8Confident64.9Low74 Ų7479.1 Ų79.139%0.38743%0.428SS..Hα-helixtrans-73.3-28.3175-157.389.3000112N264 Y278 R279N264-L281 HydrophobicContact CB-CD2 4.4Å; Y278-L281 WeakPolarHBondContact O-CB 3.4Å; Y278-L281 PolarHBondContact O-N 3.11Å; R279-L281 PolarHBondContact O-N 3.06Å; R279-L281 VanDerWaalsContact O-N 3.09Å
282F73.3Confident63.1Low23 Ų2381.7 Ų81.710%0.10145%0.45CS..Hα-helixtrans-115.7-39.3-169.6-58.4-70.4000113L266 L274 Y278 R279 S280 K297 F299 L372L266-F282 HydrophobicContact CD1-CZ 4.33Å; L274-F282 HydrophobicContact CD2-CE2 3.8Å; L274-F282 HydrophobicContact CD2-CZ 4.27Å; Y278-F282 WeakPolarHBondContact O-CD2 2.98Å; R279-F282 PolarHBondContact O-N 2.88Å; S280-F282 VanDerWaalsContact C-N 3.33Å; F282-K297 WeakPolarHBondContact CB-O 3.49Å; F282-K297 PolarHBondContact O-N 2.99Å; F282-F299 HydrophobicContact CD1-CE1 4.07Å; F282-F299 HydrophobicContact CD1-CE2 4.47Å; F282-F299 AromaticContact CD1-CZ 3.73Å; F282-F299 HydrophobicContact CD1-CZ 3.73Å; F282-F299 HydrophobicContact CD2-CZ 4.27Å; F282-F299 AromaticContact CE1-CE1 3.63Å; F282-F299 HydrophobicContact CE1-CE1 3.63Å; F282-F299 AromaticContact CE1-CZ 3.42Å; F282-F299 HydrophobicContact CE1-CZ 3.42Å; F282-F299 VanDerWaalsContact CE1-CZ 3.42Å; F282-F299 HydrophobicContact CE2-CZ 4.02Å; F282-F299 HydrophobicContact CG-CZ 4.16Å; F282-F299 HydrophobicContact CZ-CE1 4.12Å; F282-F299 AromaticContact CZ-CZ 3.58Å; F282-F299 HydrophobicContact CZ-CZ 3.58Å; F282-L372 HydrophobicContact CB-CD2 4.01Å; F282-L372 HydrophobicContact CD2-CD2 4.48Å
283L68.7Low61.4Low24 Ų2485.7 Ų85.713%0.12648%0.482CS..SBendtrans-113.5118.6177.8-72.2147.4000108.8R279 S280 V367 L372R279-L283 HydrophobicContact CG-CB 4.15Å; R279-L283 HydrophobicContact CG-CD1 4.11Å; R279-L283 PolarHBondContact O-N 3.13Å; S280-L283 WeakPolarHBondContact CA-O 3.29Å; L283-V367 HydrophobicContact CD1-CG1 4.37Å; L283-L372 HydrophobicContact CD1-CD2 3.5Å; L283-L372 HydrophobicContact CD1-CG 4.43Å; L283-L372 HydrophobicContact CG-CD2 4.32Å
284K61.3Low59.9Low120 Ų12087.6 Ų87.652%0.52250%0.498SS..  trans-75.4143166.2-83.5-174.3175.6-177.60109.8
285S50.3Low58.5Low75 Ų7593.8 Ų93.852%0.52453%0.53SS..  trans-59.5137.1166.6-165.60000108.6D287S285-D287 WeakPolarHBondContact CB-OD2 3.44Å; S285-D287 PolarHBondContact O-N 3.33Å; S285-D287 PolarHBondContact OG-OD2 3.15Å
286T46.4Very low58Low142 Ų14297.4 Ų97.487%0.87155%0.549SS*.  trans-69.630.1175.7-36.50000112.1N288T286-N288 PolarHBondContact O-N 2.76Å
287D42.4Very low57.8Low116 Ų116100.6 Ų100.662%0.6256%0.561SS**  trans-87.798.5-180-68.4-43.9000110.1S285S285-D287 WeakPolarHBondContact CB-OD2 3.44Å; S285-D287 PolarHBondContact O-N 3.33Å; S285-D287 PolarHBondContact OG-OD2 3.15Å
288N39.4Very low58.1Low129 Ų12997.4 Ų97.469%0.6955%0.549SS*.SBendtrans54.9112.4141.9-58.5-36.6000119.1T286 S290T286-N288 PolarHBondContact O-N 2.76Å; N288-S290 PolarHBondContact O-N 2.68Å
289N45.8Very low58.6Low171 Ų17197.6 Ų97.691%0.91455%0.551SS**  trans57.144142.3-64.3-15.8000118.9
290S43Very low59.4Low90 Ų9095.5 Ų95.563%0.62955%0.551SS**  trans-122.8110.8154.5590000110.6N288 S292N288-S290 PolarHBondContact O-N 2.68Å; S290-S292 PolarHBondContact O-N 2.88Å
291S47.3Very low60.3Low129 Ų12995.6 Ų95.690%0.90254%0.542SS*.  trans-64.731.8176.234.90000114.1
292S42.8Very low61.2Low87 Ų8792.9 Ų92.961%0.60853%0.528SS*.  trans-97.697.7171.7-710000108.5S290 S294S290-S292 PolarHBondContact O-N 2.88Å; S292-S294 PolarHBondContact O-N 3.47Å
293S43.3Very low62.1Low123 Ų12397.8 Ų97.886%0.8655%0.547SS*.  trans-56.944.9-179.860.50000115.8L295S293-L295 PolarHBondContact O-N 3.39Å
294S49.8Very low63.3Low70 Ų7097.1 Ų97.149%0.4954%0.543SS..  trans-83.998.8-179.9178.60000109.3S292S292-S294 PolarHBondContact O-N 3.47Å
295L53.4Low64.7Low144 Ų14492 Ų9275%0.75452%0.524SS*.  trans-29.8131.3170.7-121.572000113.2S293 K297S293-L295 PolarHBondContact O-N 3.39Å; L295-K297 PolarHBondContact O-N 3.3Å
296N63.8Low66.5Low83 Ų8390.7 Ų90.744%0.44451%0.512SS..  trans-58.3121160.1-78.8-32.2000107.6R298N296-R298 PolarHBondContact O-N 3.39Å; N296-R298 VanDerWaalsContact O-N 3.17Å
297K72.6Confident68.4Low118 Ų11888.5 Ų88.551%0.51350%0.502SS..  trans-9081.4-178.5-67.6-171.5178.3-168.60108.6F282 L295F282-K297 WeakPolarHBondContact CB-O 3.49Å; F282-K297 PolarHBondContact O-N 2.99Å; L295-K297 PolarHBondContact O-N 3.3Å
298R82.5Confident70.6Confident85 Ų8586 Ų8632%0.32149%0.488SS..  trans-81.5159170.8-74.4174.7171.8173.12.1110N296 L372 L373 E374N296-R298 PolarHBondContact O-N 3.39Å; N296-R298 VanDerWaalsContact O-N 3.17Å; R298-L372 CarbonylContact C-O 3.6Å; R298-L372 VanDerWaalsContact CA-O 3.26Å; R298-L372 WeakPolarHBondContact CA-O 3.34Å; R298-L372 WeakPolarHBondContact CB-O 3.44Å; R298-L373 WeakPolarHBondContact CD-O 3.23Å; R298-E374 HydrophobicContact CB-CB 4.4Å; R298-E374 HydrophobicContact CB-CG 3.44Å; R298-E374 VanDerWaalsContact CB-CG 3.44Å
299F86.5Confident73.1Confident49 Ų4980.2 Ų80.222%0.21546%0.457CS..EExtended strand (participates in β ladder)trans-86.2123.1179-58.6-67.1000110.3F282 I302 L372 L373 E374F282-F299 HydrophobicContact CD1-CE1 4.07Å; F282-F299 HydrophobicContact CD1-CE2 4.47Å; F282-F299 AromaticContact CD1-CZ 3.73Å; F282-F299 HydrophobicContact CD1-CZ 3.73Å; F282-F299 HydrophobicContact CD2-CZ 4.27Å; F282-F299 AromaticContact CE1-CE1 3.63Å; F282-F299 HydrophobicContact CE1-CE1 3.63Å; F282-F299 AromaticContact CE1-CZ 3.42Å; F282-F299 HydrophobicContact CE1-CZ 3.42Å; F282-F299 VanDerWaalsContact CE1-CZ 3.42Å; F282-F299 HydrophobicContact CE2-CZ 4.02Å; F282-F299 HydrophobicContact CG-CZ 4.16Å; F282-F299 HydrophobicContact CZ-CE1 4.12Å; F282-F299 AromaticContact CZ-CZ 3.58Å; F282-F299 HydrophobicContact CZ-CZ 3.58Å; F299-I302 HydrophobicContact CB-CD1 4.37Å; F299-I302 HydrophobicContact CB-CG1 4.1Å; F299-L372 HydrophobicContact CD2-CB 3.9Å; F299-L372 WeakPolarHBondContact CD2-O 3.35Å; F299-L372 HydrophobicContact CE2-CB 3.96Å; F299-L372 HydrophobicContact CE2-CD1 4.3Å; F299-L372 PolarHBondContact N-O 3.45Å; F299-L373 HydrophobicContact CB-CD2 4.28Å; F299-E374 PolarHBondContact O-N 2.98Å
300S88.8Confident75.1Confident53 Ų5376.7 Ų76.737%0.37144%0.435SS..EExtended strand (participates in β ladder)trans-92.2-35.4168.674.40000112.1E374 A377 L378S300-E374 VanDerWaalsContact CB-OE2 3.27Å; S300-E374 WeakPolarHBondContact CB-OE2 3.1Å; S300-A377 CarbonylContact O-C 3.54Å; S300-A377 VanDerWaalsContact O-CA 3.32Å; S300-A377 WeakPolarHBondContact O-CA 3.22Å; S300-L378 PolarHBondContact O-N 3.12Å
301I91.9Very high77.3Confident103 Ų10372.9 Ų72.953%0.52841%0.408SS..EExtended strand (participates in β ladder)trans-130.4128.8-178.9-59.2170.6000109L378 I380I301-L378 CarbonylContact C-O 3.52Å; I301-L378 WeakPolarHBondContact CA-O 3.42Å; I301-L378 HydrophobicContact CG1-CB 4.44Å; I301-I380 HydrophobicContact CG2-CD1 3.97Å
302I91.7Very high79.2Confident16 Ų1666.9 Ų66.98%0.08237%0.365CS..EExtended strand (participates in β ladder)trans-119.2122.8173.8-62.4162.9000107.6F299 I304 F369 L373 L378 L379 I380F299-I302 HydrophobicContact CB-CD1 4.37Å; F299-I302 HydrophobicContact CB-CG1 4.1Å; I302-I304 HydrophobicContact CG2-CD1 4.22Å; I302-I304 HydrophobicContact CG2-CG1 3.95Å; I302-F369 HydrophobicContact CD1-CE1 4.31Å; I302-F369 HydrophobicContact CD1-CZ 3.75Å; I302-L373 HydrophobicContact CD1-CD2 3.39Å; I302-L378 PolarHBondContact N-O 3.14Å; I302-L379 HydrophobicContact CB-CD1 4Å; I302-L379 HydrophobicContact CG2-CD1 3.74Å; I302-L379 WeakPolarHBondContact O-CA 3.22Å; I302-I380 PolarHBondContact O-N 2.81Å
303Y93.5Very high81.3Confident127 Ų12764 Ų6450%0.49835%0.345SS..EExtended strand (participates in β ladder)trans-107.3128.9174.4-177.6-90.2000110.1I380 E382Y303-I380 WeakPolarHBondContact CA-O 3.15Å; Y303-I380 HydrophobicContact CD2-CB 4.09Å; Y303-I380 HydrophobicContact CD2-CG2 3.9Å; Y303-I380 HydrophobicContact CE2-CG2 4.17Å; Y303-E382 HydrophobicContact CE1-CG 4.26Å; Y303-E382 WeakPolarHBondContact CE1-OE1 3.22Å; Y303-E382 HydrophobicContact CE2-CG 4.35Å; Y303-E382 VanDerWaalsContact CZ-OE1 3.28Å; Y303-E382 WeakPolarHBondContact OH-CG 3.31Å; Y303-E382 PolarHBondContact OH-OE1 3.08Å
304I92Very high83.3Confident10 Ų1061 Ų615%0.05132%0.32CS..EExtended strand (participates in β ladder)trans-126.3118.9178.6-58.5-172.2000109.4F271 I302 L308 V309 L312 L379 I380 V381 E382F271-I304 HydrophobicContact CZ-CD1 4.38Å; I302-I304 HydrophobicContact CG2-CD1 4.22Å; I302-I304 HydrophobicContact CG2-CG1 3.95Å; I304-L308 HydrophobicContact CG2-CB 3.95Å; I304-V309 HydrophobicContact CG2-CG2 3.93Å; I304-L312 HydrophobicContact CD1-CD1 4.09Å; I304-L312 HydrophobicContact CD1-CD2 3.48Å; I304-L312 VanDerWaalsContact CD1-CD2 3.48Å; I304-L312 HydrophobicContact CD1-CG 3.8Å; I304-L379 HydrophobicContact CD1-CD1 3.7Å; I304-L379 HydrophobicContact CG1-CD1 3.94Å; I304-I380 PolarHBondContact N-O 2.99Å; I304-V381 HydrophobicContact CB-CG2 4.49Å; I304-V381 WeakPolarHBondContact O-CA 3.48Å; I304-E382 PolarHBondContact O-N 3.45Å
305G91.5Very high84.9Confident12 Ų1257.9 Ų57.912%0.12430%0.297CS..  trans-73155.2171.100000112S307 L308 E382G305-S307 VanDerWaalsContact C-N 3.25Å; G305-S307 PolarHBondContact O-N 3.37Å; G305-S307 VanDerWaalsContact O-N 3.1Å; G305-L308 PolarHBondContact O-N 2.87Å; G305-E382 WeakPolarHBondContact CA-OE2 3.4Å
306N87.9Confident86.3Confident48 Ų4853.3 Ų53.326%0.25727%0.272SS..G310 helixtrans-52-42.6-173.2170.130.8000113.1L308 V309 E382 I384 Y398N306-L308 PolarHBondContact O-N 2.62Å; N306-L308 VanDerWaalsContact O-N 3.1Å; N306-V309 WeakPolarHBondContact O-CG2 3.48Å; N306-V309 PolarHBondContact O-N 3.49Å; N306-E382 HydrophobicContact CB-CB 4.35Å; N306-E382 PolarHBondContact N-OE2 3Å; N306-I384 HydrophobicContact CB-CG2 4.24Å; N306-I384 WeakPolarHBondContact ND2-CG2 3.31Å; N306-I384 WeakPolarHBondContact OD1-CG2 3.16Å; N306-Y398 WeakPolarHBondContact OD1-CE2 3.43Å; N306-Y398 PolarHBondContact OD1-OH 2.77Å
307S86.3Confident87.2Confident96 Ų9654.4 Ų54.467%0.67127%0.273SS*.G310 helixtrans-62.5-19.3-179.766.50000114.9G305 H310G305-S307 VanDerWaalsContact C-N 3.25Å; G305-S307 PolarHBondContact O-N 3.37Å; G305-S307 VanDerWaalsContact O-N 3.1Å; S307-H310 PolarHBondContact O-CE1 3.11Å; S307-H310 PolarHBondContact O-ND1 3.37Å
308L89.6Confident87.4Confident63 Ų6353 Ų5333%0.3326%0.264SS..G310 helixtrans-104.6-0.4-174.6-62.4179.9000113.3I304 G305 N306 H310 L311I304-L308 HydrophobicContact CG2-CB 3.95Å; G305-L308 PolarHBondContact O-N 2.87Å; N306-L308 PolarHBondContact O-N 2.62Å; N306-L308 VanDerWaalsContact O-N 3.1Å; L308-H310 PolarHBondContact O-N 3.09Å; L308-L311 HydrophobicContact CB-CD1 4.07Å; L308-L311 HydrophobicContact CD2-CD1 4.06Å; L308-L311 WeakPolarHBondContact O-CB 3.48Å; L308-L311 VanDerWaalsContact O-CG 3.29Å; L308-L311 WeakPolarHBondContact O-CG 3.35Å; L308-L311 PolarHBondContact O-N 3.26Å
309V90.3Very high86.9Confident7 Ų750.3 Ų50.34%0.04226%0.256CS..THydrogen-bonded Turntrans-60.3-32.1-176.1169.80000113.4I304 N306 L311 L312 V381 Y398 V402 M405I304-V309 HydrophobicContact CG2-CG2 3.93Å; N306-V309 WeakPolarHBondContact O-CG2 3.48Å; N306-V309 PolarHBondContact O-N 3.49Å; V309-L311 PolarHBondContact O-N 2.95Å; V309-L311 VanDerWaalsContact O-N 3.07Å; V309-L312 WeakPolarHBondContact O-CB 3.16Å; V309-L312 PolarHBondContact O-N 3.37Å; V309-V381 HydrophobicContact CG2-CG1 3.46Å; V309-V381 VanDerWaalsContact CG2-CG1 3.46Å; V309-Y398 WeakPolarHBondContact CG2-OH 3.39Å; V309-V402 HydrophobicContact CG1-CG2 3.62Å; V309-M405 HydrophobicContact CG1-SD 4.08Å
310H89.1Confident85.9Confident98 Ų9850 Ų5045%0.45426%0.259SS..Hα-helixtrans-56.6-25.3175.266.4-82.9000113.5S307 L308 L312 S313 D314S307-H310 PolarHBondContact O-CE1 3.11Å; S307-H310 PolarHBondContact O-ND1 3.37Å; L308-H310 PolarHBondContact O-N 3.09Å; H310-L312 PolarHBondContact O-N 3.01Å; H310-S313 PolarHBondContact O-N 2.73Å; H310-D314 IonicContact CD2-OD2 2.62Å; H310-D314 PolarHBondContact O-N 3.27Å; H310-D314 VanDerWaalsContact O-N 3.08Å
311L88.3Confident84.7Confident10 Ų1055.3 Ų55.35%0.05228%0.275CS..Hα-helixtrans-64-26.1178-61.8177.9000112.7F271 L308 V309 L315F271-L311 HydrophobicContact CB-CD1 3.95Å; F271-L311 HydrophobicContact CD1-CB 3.84Å; F271-L311 HydrophobicContact CE1-CB 4.43Å; F271-L311 HydrophobicContact CG-CD1 4.39Å; L308-L311 HydrophobicContact CB-CD1 4.07Å; L308-L311 HydrophobicContact CD2-CD1 4.06Å; L308-L311 WeakPolarHBondContact O-CB 3.48Å; L308-L311 VanDerWaalsContact O-CG 3.29Å; L308-L311 WeakPolarHBondContact O-CG 3.35Å; L308-L311 PolarHBondContact O-N 3.26Å; V309-L311 PolarHBondContact O-N 2.95Å; V309-L311 VanDerWaalsContact O-N 3.07Å; L311-L315 VanDerWaalsContact O-CB 3.24Å; L311-L315 WeakPolarHBondContact O-CB 3.35Å; L311-L315 PolarHBondContact O-N 3.49Å
312L87.2Confident82.9Confident2 Ų254.4 Ų54.41%0.0127%0.268CS..Hα-helixtrans-65.7-47.2174.3-65.3176.4000111.1F271 I304 V309 H310 D314 L315 H316 L379 M405 L409F271-L312 HydrophobicContact CE1-CD2 4.34Å; F271-L312 HydrophobicContact CZ-CD2 4.37Å; I304-L312 HydrophobicContact CD1-CD1 4.09Å; I304-L312 HydrophobicContact CD1-CD2 3.48Å; I304-L312 VanDerWaalsContact CD1-CD2 3.48Å; I304-L312 HydrophobicContact CD1-CG 3.8Å; V309-L312 WeakPolarHBondContact O-CB 3.16Å; V309-L312 PolarHBondContact O-N 3.37Å; H310-L312 PolarHBondContact O-N 3.01Å; L312-D314 PolarHBondContact O-N 2.67Å; L312-L315 WeakPolarHBondContact O-CB 3.4Å; L312-L315 PolarHBondContact O-N 3.21Å; L312-H316 PolarHBondContact O-N 3.14Å; L312-H316 VanDerWaalsContact O-N 3.08Å; L312-L379 HydrophobicContact CD1-CD2 4.25Å; L312-L379 HydrophobicContact CD2-CD2 4.44Å; L312-M405 HydrophobicContact CB-CB 4.12Å; L312-L409 HydrophobicContact CB-CD1 3.95Å; L312-L409 HydrophobicContact CD2-CD1 3.6Å; L312-L409 HydrophobicContact CG-CD1 4.35Å
313S87Confident81Confident26 Ų2659 Ų5918%0.18229%0.293CS..Hα-helixtrans-64.6-40.3176.7-174.40000112H310 L315 H316 K317H310-S313 PolarHBondContact O-N 2.73Å; S313-L315 VanDerWaalsContact C-N 3.32Å; S313-L315 PolarHBondContact O-N 3.02Å; S313-H316 PolarHBondContact O-N 3.46Å; S313-K317 WeakPolarHBondContact O-CG 3.45Å; S313-K317 PolarHBondContact O-N 2.97Å; S313-K317 WeakPolarHBondContact OG-CE 3.12Å; S313-K317 PolarHBondContact OG-NZ 2.77Å
314D86.1Confident78.7Confident61 Ų6159.2 Ų59.233%0.32630%0.302SS..Hα-helixtrans-68.3-33.6179-71.4-17.7000112.3L272 H310 L312 K317 R318L272-D314 HydrophobicContact CD1-CB 4.23Å; L272-D314 HydrophobicContact CD2-CB 3.89Å; H310-D314 IonicContact CD2-OD2 2.62Å; H310-D314 PolarHBondContact O-N 3.27Å; H310-D314 VanDerWaalsContact O-N 3.08Å; L312-D314 PolarHBondContact O-N 2.67Å; D314-K317 IonicContact OD1-NZ 3.97Å; D314-R318 WeakPolarHBondContact O-CB 3.2Å; D314-R318 PolarHBondContact O-N 3.07Å; D314-R318 VanDerWaalsContact O-N 3.11Å
315L83.2Confident76.1Confident4 Ų460.7 Ų60.72%0.02132%0.32CS..Hα-helixtrans-63.8-50.6172.9-176.270.9000110.8F271 L272 L311 L312 S313 K317 R318 E319 F369 L409F271-L315 HydrophobicContact CE1-CD2 3.84Å; F271-L315 HydrophobicContact CZ-CD2 4.4Å; L272-L315 HydrophobicContact CD2-CB 3.98Å; L272-L315 HydrophobicContact CD2-CD1 4.38Å; L311-L315 VanDerWaalsContact O-CB 3.24Å; L311-L315 WeakPolarHBondContact O-CB 3.35Å; L311-L315 PolarHBondContact O-N 3.49Å; L312-L315 WeakPolarHBondContact O-CB 3.4Å; L312-L315 PolarHBondContact O-N 3.21Å; S313-L315 VanDerWaalsContact C-N 3.32Å; S313-L315 PolarHBondContact O-N 3.02Å; L315-K317 PolarHBondContact O-N 3.12Å; L315-R318 WeakPolarHBondContact O-CB 3.13Å; L315-R318 PolarHBondContact O-N 3.28Å; L315-E319 PolarHBondContact O-N 2.9Å; L315-F369 HydrophobicContact CD1-CB 4.23Å; L315-F369 HydrophobicContact CD1-CD2 4.42Å; L315-F369 HydrophobicContact CD2-CB 3.76Å; L315-F369 HydrophobicContact CD2-CD1 3.67Å; L315-F369 HydrophobicContact CD2-CD2 3.62Å; L315-F369 HydrophobicContact CD2-CE1 4.09Å; L315-F369 HydrophobicContact CD2-CE2 4.05Å; L315-F369 HydrophobicContact CD2-CG 3.41Å; L315-F369 VanDerWaalsContact CD2-CG 3.41Å; L315-F369 HydrophobicContact CD2-CZ 4.26Å; L315-F369 HydrophobicContact CG-CB 4.29Å; L315-F369 HydrophobicContact CG-CG 4.41Å; L315-L409 HydrophobicContact CB-CD2 4.47Å; L315-L409 HydrophobicContact CD2-CD1 4.21Å; L315-L409 HydrophobicContact CD2-CD2 3.82Å; L315-L409 HydrophobicContact CG-CD2 4.13Å
316H82.6Confident73.4Confident48 Ų4864.4 Ų64.422%0.22234%0.344CS..Hα-helixtrans-58.9-46.7178-179.270.5000112L312 S313 R318 E319 C320 D408 L409L312-H316 PolarHBondContact O-N 3.14Å; L312-H316 VanDerWaalsContact O-N 3.08Å; S313-H316 PolarHBondContact O-N 3.46Å; H316-R318 PolarHBondContact O-N 3.4Å; H316-E319 PolarHBondContact O-N 2.77Å; H316-E319 VanDerWaalsContact O-N 3.07Å; H316-C320 VanDerWaalsContact CE1-SG 3.53Å; H316-C320 PolarHBondContact NE2-SG 2.92Å; H316-C320 VanDerWaalsContact NE2-SG 3.41Å; H316-C320 PolarHBondContact O-N 3.11Å; H316-C320 PolarHBondContact O-SG 3.5Å; H316-D408 HydrophobicContact CB-CB 4.45Å; H316-D408 PolarHBondContact CE1-O 3.39Å; H316-D408 VanDerWaalsContact CE1-O 3.26Å; H316-D408 PolarHBondContact ND1-O 2.9Å; H316-L409 HydrophobicContact CB-CD2 4.03Å; H316-L409 HydrophobicContact CB-CG 4.46Å
317K83.1Confident70.4Confident107 Ų10770.4 Ų70.447%0.46537%0.37SS..Hα-helixtrans-58.2-34175.5-72.2169.8-167.7156.30112.8S313 D314 L315 K321S313-K317 WeakPolarHBondContact O-CG 3.45Å; S313-K317 PolarHBondContact O-N 2.97Å; S313-K317 WeakPolarHBondContact OG-CE 3.12Å; S313-K317 PolarHBondContact OG-NZ 2.77Å; D314-K317 IonicContact OD1-NZ 3.97Å; L315-K317 PolarHBondContact O-N 3.12Å; K317-K321 WeakPolarHBondContact O-CB 3.3Å; K317-K321 VanDerWaalsContact O-CG 3.29Å; K317-K321 WeakPolarHBondContact O-CG 3.36Å; K317-K321 PolarHBondContact O-N 3.16Å; K317-K321 VanDerWaalsContact O-N 3.13Å
318R76.4Confident67.5Low87 Ų8773.4 Ų73.433%0.32838%0.377SS..Hα-helixtrans-72.9-36177.9-171176.6-175.9164.64.6111.3L272 D273 I276 D314 L315 H316 K322L272-R318 PolarHBondContact O-NH1 3.36Å; D273-R318 IonicContact OD1-CZ 3.68Å; D273-R318 IonicContact OD1-NH1 3.76Å; D273-R318 PolarHBondContact OD1-NH1 3.09Å; D273-R318 IonicContact OD1-NH2 3.99Å; I276-R318 VanDerWaalsContact CD1-NH2 3.26Å; D314-R318 WeakPolarHBondContact O-CB 3.2Å; D314-R318 PolarHBondContact O-N 3.07Å; D314-R318 VanDerWaalsContact O-N 3.11Å; L315-R318 WeakPolarHBondContact O-CB 3.13Å; L315-R318 PolarHBondContact O-N 3.28Å; H316-R318 PolarHBondContact O-N 3.4Å; R318-K322 WeakPolarHBondContact O-CG 3.39Å; R318-K322 PolarHBondContact O-N 3.29Å
319E72.6Confident64.4Low30 Ų3079.3 Ų79.314%0.1440%0.401CS..Hα-helixtrans-66.7-49.2173.5-67.3-171.6142.800111L315 H316 K321 K322 D323 S368 F369L315-E319 PolarHBondContact O-N 2.9Å; H316-E319 PolarHBondContact O-N 2.77Å; H316-E319 VanDerWaalsContact O-N 3.07Å; E319-K321 VanDerWaalsContact C-N 3.31Å; E319-K321 PolarHBondContact O-N 2.85Å; E319-K322 WeakPolarHBondContact O-CB 3.48Å; E319-K322 PolarHBondContact O-N 2.8Å; E319-D323 PolarHBondContact O-N 2.74Å; E319-S368 PolarHBondContact OE1-OG 3.28Å; E319-F369 WeakPolarHBondContact OE1-CB 3.4Å; E319-F369 PolarHBondContact OE1-N 3.44Å
320C64.1Low61.2Low43 Ų4384.1 Ų84.129%0.29143%0.434SS..Hα-helixtrans-62.8-32.6177.7-61.10000114.1H316 K322 D323 N324H316-C320 VanDerWaalsContact CE1-SG 3.53Å; H316-C320 PolarHBondContact NE2-SG 2.92Å; H316-C320 VanDerWaalsContact NE2-SG 3.41Å; H316-C320 PolarHBondContact O-N 3.11Å; H316-C320 PolarHBondContact O-SG 3.5Å; C320-K322 PolarHBondContact O-N 3.17Å; C320-D323 PolarHBondContact O-N 2.91Å; C320-N324 PolarHBondContact O-N 3.2Å; C320-N324 VanDerWaalsContact O-N 3.15Å; C320-N324 PolarHBondContact O-ND2 3.08Å
321K63.6Low58.1Low163 Ų16385.8 Ų85.871%0.70945%0.447SS*.Hα-helixtrans-65.6-27.2174.1-81.5178.2-178.4-179.60112.7K317 E319 G325K317-K321 WeakPolarHBondContact O-CB 3.3Å; K317-K321 VanDerWaalsContact O-CG 3.29Å; K317-K321 WeakPolarHBondContact O-CG 3.36Å; K317-K321 PolarHBondContact O-N 3.16Å; K317-K321 VanDerWaalsContact O-N 3.13Å; E319-K321 VanDerWaalsContact C-N 3.31Å; E319-K321 PolarHBondContact O-N 2.85Å; K321-G325 PolarHBondContact O-N 3.41Å
322K55.3Low55Low84 Ų8491.9 Ų91.937%0.36548%0.479SS..Hα-helixtrans-73.4-42.8175.6-68.3169.1179.2179.50110.5R318 E319 C320 N324 G325 S326R318-K322 WeakPolarHBondContact O-CG 3.39Å; R318-K322 PolarHBondContact O-N 3.29Å; E319-K322 WeakPolarHBondContact O-CB 3.48Å; E319-K322 PolarHBondContact O-N 2.8Å; C320-K322 PolarHBondContact O-N 3.17Å; K322-N324 VanDerWaalsContact C-N 3.3Å; K322-N324 PolarHBondContact O-N 3.21Å; K322-G325 PolarHBondContact O-N 3.36Å; K322-G325 VanDerWaalsContact O-N 3.11Å; K322-S326 PolarHBondContact O-N 2.92Å
323D52Low52Low113 Ų11399.3 Ų99.360%0.60452%0.518SS*.Hα-helixtrans-64.6-34.7178.5-60.3-22.8000112.4E319 C320 S326E319-D323 PolarHBondContact O-N 2.74Å; C320-D323 PolarHBondContact O-N 2.91Å; D323-S326 PolarHBondContact O-OG 2.75Å; D323-S326 VanDerWaalsContact O-OG 3.05Å
324N45.7Very low49Very low132 Ų132105 Ų10571%0.70655%0.545SS*.Hα-helixtrans-80.9-17176-68.9-26.4000113.6C320 K322C320-N324 PolarHBondContact O-N 3.2Å; C320-N324 VanDerWaalsContact O-N 3.15Å; C320-N324 PolarHBondContact O-ND2 3.08Å; K322-N324 VanDerWaalsContact C-N 3.3Å; K322-N324 PolarHBondContact O-N 3.21Å
325G36.8Very low46.1Very low40 Ų40108.8 Ų108.841%0.41257%0.565SS.*Hα-helixtrans-87.3-17.5-179.800000114.3K321 K322 H327 L328K321-G325 PolarHBondContact O-N 3.41Å; K322-G325 PolarHBondContact O-N 3.36Å; K322-G325 VanDerWaalsContact O-N 3.11Å; G325-H327 PolarHBondContact O-N 2.97Å; G325-L328 PolarHBondContact O-N 3.3Å
326S34.4Very low43.5Very low90 Ų90118.2 Ų118.263%0.62961%0.609SS**THydrogen-bonded Turntrans-78.813.5178.850.30000114.9K322 D323K322-S326 PolarHBondContact O-N 2.92Å; D323-S326 PolarHBondContact O-OG 2.75Å; D323-S326 VanDerWaalsContact O-OG 3.05Å
327H25.1Very low41Very low175 Ų175125.1 Ų125.181%0.8164%0.639SS**THydrogen-bonded Turntrans-928163.2-85.8-66.8000113.9G325 K329G325-H327 PolarHBondContact O-N 2.97Å; H327-K329 PolarHBondContact O-N 3.36Å
328L25.8Very low38.4Very low158 Ų158129.2 Ų129.283%0.82766%0.66SS**SBendtrans-71.585.4163-100.592.7000110.4G325G325-L328 PolarHBondContact O-N 3.3Å
329K23.3Very low36Very low188 Ų188129.8 Ų129.882%0.81768%0.676SS**  trans44.975.3154.2-62.3-175.3178.3-1750115.4H327 N331H327-K329 PolarHBondContact O-N 3.36Å; K329-N331 PolarHBondContact O-N 3.22Å
330S23.9Very low34Very low107 Ų107136.2 Ų136.275%0.74871%0.711SS**  trans-6589.9136.157.20000107.6
331N23.2Very low32.5Very low133 Ų133141.5 Ų141.571%0.71174%0.736SS**  trans176.785.1157.5-88.9-14.3000105.3K329K329-N331 PolarHBondContact O-N 3.22Å
332D24.3Very low30.8Very low139 Ų139142.4 Ų142.474%0.74374%0.74SS**  trans-159.996.5130.8-84.9-27.9000105.4L334D332-L334 HydrophobicContact CB-CG 4.1Å; D332-L334 PolarHBondContact O-N 3.38Å
333I23.5Very low29.7Very low158 Ų158146 Ų14681%0.8176%0.763SS**  trans-60.588.2156.2-63.1167.2000104D335I333-D335 PolarHBondContact O-N 2.87Å
334L24.9Very low28.7Very low146 Ų146148 Ų14876%0.76477%0.768SS**  trans-85.2109.1167.2-71.6176.7000106.4D332D332-L334 HydrophobicContact CB-CG 4.1Å; D332-L334 PolarHBondContact O-N 3.38Å
335D24.4Very low28.1Very low140 Ų140149.2 Ų149.275%0.74978%0.775SS**  trans-40.3135.7175.3-71.1-52.9000112.3I333 K337I333-D335 PolarHBondContact O-N 2.87Å; D335-K337 PolarHBondContact O-N 2.92Å
336E28.8Very low27.7Very low202 Ų202156.1 Ų156.194%0.94480%0.799SS**SBendtrans-62.426.2-177.2-69.7-174.213900115.6
337K30.3Very low27.5Very low193 Ų193161 Ų16184%0.83981%0.809SS**  trans-144.360.2-178-71.8-171.2178.8174.20113.5D335D335-K337 PolarHBondContact O-N 2.92Å
338E27.1Very low28Very low193 Ų193157 Ų15790%0.90281%0.806SS**SBendtrans-173.8101.3146.9-113.6172.7178.400110
339C26.4Very low28.3Very low99 Ų99157.9 Ų157.967%0.66980%0.803SS**  trans166.866.5133.1-158.30000109.3D341C339-D341 VanDerWaalsContact C-N 3.32Å
340N31.7Very low28.7Very low164 Ų164154.5 Ų154.588%0.87780%0.803SS**SBendtrans-90.810.3167.7-115.7-6.6000112.9
341D31.9Very low29.1Very low154 Ų154154.8 Ų154.882%0.82480%0.796SS**SBendtrans-124.934.7-166.7-69.1-27.7000115.5C339C339-D341 VanDerWaalsContact C-N 3.32Å
342K28.8Very low29.8Very low182 Ų182156.5 Ų156.579%0.79180%0.8SS**  trans-133.931.9173.1-68.8-169.1179.3176.80115.7
343L30.4Very low30.6Very low161 Ų161153 Ų15384%0.84379%0.787SS**SBendtrans-87.4-4176.8-164.559.4000115.1
344E33.1Very low31.3Very low153 Ų153148.3 Ų148.372%0.71577%0.765SS**SBendtrans-102.1-11.5-173.8-79.3-79.2135.200116.3
345D31.2Very low31.9Very low158 Ų158148 Ų14885%0.84576%0.763SS**SBendtrans-109.613.9-168.5-88.8-18.8000117.8
346M29.2Very low32.6Very low186 Ų186146.9 Ų146.992%0.91675%0.754SS**  trans-117.130.3178.5-76.2-119.2162.700115A348M346-A348 VanDerWaalsContact C-N 3.31Å; M346-A348 PolarHBondContact O-N 3.03Å
347K31Very low33Very low193 Ų193141.7 Ų141.784%0.83973%0.732SS**  trans-80.26.9172.8-93.7178.1-179162.60115.8
348A33.9Very low33.2Very low91 Ų91141.2 Ų141.275%0.75273%0.727SS**SBendtrans-113.3-6.3-167.900000117.6M346M346-A348 VanDerWaalsContact C-N 3.31Å; M346-A348 PolarHBondContact O-N 3.03Å
349K32.4Very low33.9Very low176 Ų176138.7 Ų138.777%0.76572%0.719SS**  trans-148.775176.9-70.2-176.3-178.8169.80111.6N351K349-N351 PolarHBondContact O-N 3.34Å
350S31.8Very low34.9Very low117 Ų117138.5 Ų138.582%0.81871%0.707SS**  trans-71.879.4168.558.10000109.6
351N33.7Very low35.2Very low112 Ų112136.8 Ų136.860%0.59970%0.698SS**  trans-74.1140.8163.3-72.9-11.7000108.2K349 S353 T354K349-N351 PolarHBondContact O-N 3.34Å; N351-S353 PolarHBondContact O-N 3.32Å; N351-T354 PolarHBondContact O-N 3.37Å; N351-T354 PolarHBondContact O-OG1 2.99Å
352E38.1Very low35.6Very low169 Ų169135.1 Ų135.179%0.7969%0.693SS**THydrogen-bonded Turntrans-44.4-27.4-176.8-148.4165.3-172.500114.3T354 L355 E356E352-T354 PolarHBondContact O-N 2.91Å; E352-L355 PolarHBondContact O-N 3.23Å; E352-E356 PolarHBondContact O-N 3.06Å
353S39.8Very low36.4Very low67 Ų67133.4 Ų133.447%0.46969%0.692SS.*Hα-helixtrans-62.2-23.7175.159.40000114.9N351 N357N351-S353 PolarHBondContact O-N 3.32Å; S353-N357 VanDerWaalsContact O-CG 3.31Å; S353-N357 PolarHBondContact O-N 3.18Å; S353-N357 PolarHBondContact O-ND2 3.22Å
354T38.9Very low37.2Very low59 Ų59130.5 Ų130.536%0.36268%0.677SS.*Hα-helixtrans-79.2-34.4-179.1-19.70000111.5N351 E352 E356 N357 Y358N351-T354 PolarHBondContact O-N 3.37Å; N351-T354 PolarHBondContact O-OG1 2.99Å; E352-T354 PolarHBondContact O-N 2.91Å; T354-E356 VanDerWaalsContact C-N 3.35Å; T354-N357 PolarHBondContact O-N 3.37Å; T354-Y358 HydrophobicContact CG2-CD2 4.29Å; T354-Y358 HydrophobicContact CG2-CE2 4.1Å; T354-Y358 VanDerWaalsContact O-CD2 3.31Å; T354-Y358 WeakPolarHBondContact O-CD2 3.38Å; T354-Y358 PolarHBondContact O-N 3.03Å; T354-Y358 VanDerWaalsContact O-N 3.07Å
355L38Very low38.2Very low138 Ų138127.7 Ų127.772%0.72367%0.674SS**Hα-helixtrans-69.6-35.1175.9-89.6165.6000111.5E352 L359E352-L355 PolarHBondContact O-N 3.23Å; L355-L359 PolarHBondContact O-N 3.27Å
356E38.6Very low39.5Very low117 Ų117124.8 Ų124.855%0.54767%0.666SS.*Hα-helixtrans-59.1-52.6168.8-71.4-173160.800110E352 T354 Y358 L359 F360E352-E356 PolarHBondContact O-N 3.06Å; T354-E356 VanDerWaalsContact C-N 3.35Å; E356-Y358 VanDerWaalsContact C-N 3.34Å; E356-Y358 PolarHBondContact O-N 3.13Å; E356-L359 PolarHBondContact O-N 3.29Å; E356-L359 VanDerWaalsContact O-N 3.1Å; E356-F360 VanDerWaalsContact C-CD2 3.41Å; E356-F360 HydrophobicContact CB-CD2 4.01Å; E356-F360 HydrophobicContact CB-CE2 3.78Å; E356-F360 HydrophobicContact CG-CE2 4.18Å; E356-F360 WeakPolarHBondContact O-CD2 3.4Å; E356-F360 WeakPolarHBondContact O-CG 3.3Å; E356-F360 PolarHBondContact O-N 3.04Å; E356-F360 VanDerWaalsContact O-N 3.09Å
357N36.2Very low41.2Very low93 Ų93116.9 Ų116.950%0.49763%0.628SS.*Hα-helixtrans-61.5-34.9-177.1-71.8-13.2000114.4S353 T354 F360 N361S353-N357 VanDerWaalsContact O-CG 3.31Å; S353-N357 PolarHBondContact O-N 3.18Å; S353-N357 PolarHBondContact O-ND2 3.22Å; T354-N357 PolarHBondContact O-N 3.37Å; N357-F360 PolarHBondContact O-N 2.87Å; N357-N361 VanDerWaalsContact O-CB 3.28Å; N357-N361 WeakPolarHBondContact O-CB 3.25Å; N357-N361 PolarHBondContact O-N 2.91Å; N357-N361 VanDerWaalsContact O-N 3.1Å
358Y35.6Very low43.3Very low183 Ų183109.2 Ų109.272%0.71860%0.599SS**Hα-helixtrans-74.6-27.3176.3-84.9-77000113.8T354 E356 F360T354-Y358 HydrophobicContact CG2-CD2 4.29Å; T354-Y358 HydrophobicContact CG2-CE2 4.1Å; T354-Y358 VanDerWaalsContact O-CD2 3.31Å; T354-Y358 WeakPolarHBondContact O-CD2 3.38Å; T354-Y358 PolarHBondContact O-N 3.03Å; T354-Y358 VanDerWaalsContact O-N 3.07Å; E356-Y358 VanDerWaalsContact C-N 3.34Å; E356-Y358 PolarHBondContact O-N 3.13Å; Y358-F360 VanDerWaalsContact C-N 3.34Å
359L42Very low45.6Very low140 Ų140105 Ų10573%0.73356%0.564SS**Hα-helixtrans-76.6-25173.5-140.684.2000112L355 E356L355-L359 PolarHBondContact O-N 3.27Å; E356-L359 PolarHBondContact O-N 3.29Å; E356-L359 VanDerWaalsContact O-N 3.1Å
360F46.7Very low47.8Very low96 Ų9698.2 Ų98.242%0.42154%0.537SS..Hα-helixtrans-101.1-6.7-175.1-61.8-56.8000115.2E356 N357 Y358 T362 I364E356-F360 VanDerWaalsContact C-CD2 3.41Å; E356-F360 HydrophobicContact CB-CD2 4.01Å; E356-F360 HydrophobicContact CB-CE2 3.78Å; E356-F360 HydrophobicContact CG-CE2 4.18Å; E356-F360 WeakPolarHBondContact O-CD2 3.4Å; E356-F360 WeakPolarHBondContact O-CG 3.3Å; E356-F360 PolarHBondContact O-N 3.04Å; E356-F360 VanDerWaalsContact O-N 3.09Å; N357-F360 PolarHBondContact O-N 2.87Å; Y358-F360 VanDerWaalsContact C-N 3.34Å; F360-T362 VanDerWaalsContact C-N 3.34Å; F360-T362 PolarHBondContact O-N 3.29Å; F360-I364 WeakPolarHBondContact O-CD1 3.44Å
361N37.1Very low50.2Low128 Ų12895.4 Ų95.468%0.68451%0.513SS*.  trans-8817.4-177.8-93.1-4000115.4N357 D363N357-N361 VanDerWaalsContact O-CB 3.28Å; N357-N361 WeakPolarHBondContact O-CB 3.25Å; N357-N361 PolarHBondContact O-N 2.91Å; N357-N361 VanDerWaalsContact O-N 3.1Å; N361-D363 PolarHBondContact O-N 3.08Å
362T42.2Very low52.5Low118 Ų11890.1 Ų90.172%0.72449%0.485SS*.SBendtrans-78.299.9158.25.90000106.7F360 I364F360-T362 VanDerWaalsContact C-N 3.34Å; F360-T362 PolarHBondContact O-N 3.29Å; T362-I364 WeakPolarHBondContact O-CG1 3.21Å; T362-I364 PolarHBondContact O-N 3.34Å
363D44.3Very low54.8Low146 Ų14682.1 Ų82.178%0.78145%0.447SS*.  trans-6.487.7171.1-69.2-42.9000113.2N361 S365N361-D363 PolarHBondContact O-N 3.08Å; D363-S365 PolarHBondContact O-N 3.19Å
364I47.7Very low56.9Low101 Ų10182.7 Ų82.752%0.51844%0.443SS..  trans-78.159.9176.2-50.4174000106.7F360 T362 S366F360-I364 WeakPolarHBondContact O-CD1 3.44Å; T362-I364 WeakPolarHBondContact O-CG1 3.21Å; T362-I364 PolarHBondContact O-N 3.34Å; I364-S366 PolarHBondContact O-N 3.05Å
365S54Low59.2Low93 Ų9383.5 Ų83.565%0.6544%0.444SS*.  trans-66.590.1161.659.10000107.2D363 V367D363-S365 PolarHBondContact O-N 3.19Å; S365-V367 PolarHBondContact O-N 3.16Å
366S59.4Low61.6Low98 Ų9882.4 Ų82.469%0.68544%0.436SS*.  trans35.572.9151.365.30000117.2I364I364-S366 PolarHBondContact O-N 3.05Å
367V63.7Low64.1Low19 Ų1977 Ų7712%0.11541%0.411CS..  trans-83.8119.2159.9-178.10000107.9L283 S365 D371L283-V367 HydrophobicContact CD1-CG1 4.37Å; S365-V367 PolarHBondContact O-N 3.16Å; V367-D371 VanDerWaalsContact CA-OD2 3.25Å; V367-D371 WeakPolarHBondContact CA-OD2 3.21Å; V367-D371 HydrophobicContact CG1-CB 3.58Å; V367-D371 WeakPolarHBondContact CG1-OD2 3.4Å
368S74.7Confident66.8Low33 Ų3375 Ų7523%0.23140%0.4CS..  trans-80.3158.6173168.50000109.6E319 T370 D371E319-S368 PolarHBondContact OE1-OG 3.28Å; S368-T370 VanDerWaalsContact CB-OG1 3.3Å; S368-T370 WeakPolarHBondContact CB-OG1 3.44Å; S368-T370 PolarHBondContact O-N 3.48Å; S368-T370 PolarHBondContact OG-N 3.13Å; S368-T370 PolarHBondContact OG-OG1 3.04Å; S368-D371 PolarHBondContact N-OD2 3.01Å; S368-D371 WeakPolarHBondContact O-CB 3.34Å; S368-D371 PolarHBondContact O-N 3.16Å
369F81.9Confident69.6Low3 Ų366.4 Ų66.41%0.01337%0.366CS..G310 helixtrans-52.3-34168176.2-105.6000112.4F271 P275 I302 L315 E319 D371 L372 L373 F411F271-F369 HydrophobicContact CE1-CE2 4.36Å; F271-F369 AromaticContact CE2-CE2 3.98Å; F271-F369 HydrophobicContact CE2-CE2 3.98Å; F271-F369 HydrophobicContact CE2-CZ 4.21Å; F271-F369 AromaticContact CZ-CE2 3.67Å; F271-F369 HydrophobicContact CZ-CE2 3.67Å; F271-F369 AromaticContact CZ-CZ 3.7Å; F271-F369 HydrophobicContact CZ-CZ 3.7Å; P275-F369 HydrophobicContact CG-CB 4.27Å; P275-F369 HydrophobicContact CG-CD2 4.49Å; I302-F369 HydrophobicContact CD1-CE1 4.31Å; I302-F369 HydrophobicContact CD1-CZ 3.75Å; L315-F369 HydrophobicContact CD1-CB 4.23Å; L315-F369 HydrophobicContact CD1-CD2 4.42Å; L315-F369 HydrophobicContact CD2-CB 3.76Å; L315-F369 HydrophobicContact CD2-CD1 3.67Å; L315-F369 HydrophobicContact CD2-CD2 3.62Å; L315-F369 HydrophobicContact CD2-CE1 4.09Å; L315-F369 HydrophobicContact CD2-CE2 4.05Å; L315-F369 HydrophobicContact CD2-CG 3.41Å; L315-F369 VanDerWaalsContact CD2-CG 3.41Å; L315-F369 HydrophobicContact CD2-CZ 4.26Å; L315-F369 HydrophobicContact CG-CB 4.29Å; L315-F369 HydrophobicContact CG-CG 4.41Å; E319-F369 WeakPolarHBondContact OE1-CB 3.4Å; E319-F369 PolarHBondContact OE1-N 3.44Å; F369-D371 PolarHBondContact O-N 3.31Å; F369-D371 VanDerWaalsContact O-N 3.17Å; F369-L372 HydrophobicContact CD2-CD1 4.44Å; F369-L372 WeakPolarHBondContact O-CB 3.13Å; F369-L372 PolarHBondContact O-N 3.34Å; F369-L372 VanDerWaalsContact O-N 3.08Å; F369-L373 HydrophobicContact CD1-CD1 4.35Å; F369-L373 HydrophobicContact CE1-CD1 4.14Å; F369-L373 HydrophobicContact CE1-CD2 4.04Å; F369-L373 HydrophobicContact CE1-CG 4.37Å; F369-L373 HydrophobicContact CZ-CD2 4.18Å; F369-F411 HydrophobicContact CE1-CE2 4.25Å; F369-F411 HydrophobicContact CE1-CZ 4.36Å
370T80.1Confident72.1Confident33 Ų3361 Ų6120%0.20234%0.338CS..G310 helixtrans-60.7-22.1177.657.70000113.8S368 L372 L373 Y429 R431S368-T370 VanDerWaalsContact CB-OG1 3.3Å; S368-T370 WeakPolarHBondContact CB-OG1 3.44Å; S368-T370 PolarHBondContact O-N 3.48Å; S368-T370 PolarHBondContact OG-N 3.13Å; S368-T370 PolarHBondContact OG-OG1 3.04Å; T370-L372 VanDerWaalsContact C-N 3.33Å; T370-L373 PolarHBondContact O-N 2.62Å; T370-Y429 HydrophobicContact CG2-CE2 3.98Å; T370-R431 PolarHBondContact O-NH2 3.27Å
371D80.6Confident74.4Confident58 Ų5856.4 Ų56.431%0.3132%0.318SS..G310 helixtrans-75.3-22.8177.3-64.7-41.4000113.2V367 S368 F369 L373V367-D371 VanDerWaalsContact CA-OD2 3.25Å; V367-D371 WeakPolarHBondContact CA-OD2 3.21Å; V367-D371 HydrophobicContact CG1-CB 3.58Å; V367-D371 WeakPolarHBondContact CG1-OD2 3.4Å; S368-D371 PolarHBondContact N-OD2 3.01Å; S368-D371 WeakPolarHBondContact O-CB 3.34Å; S368-D371 PolarHBondContact O-N 3.16Å; F369-D371 PolarHBondContact O-N 3.31Å; F369-D371 VanDerWaalsContact O-N 3.17Å; D371-L373 VanDerWaalsContact C-N 3.28Å
372L83.6Confident77Confident1 Ų153.3 Ų53.31%0.00530%0.299CS..G310 helixtrans-79.4-14.3174.9-63.8171000112.3L274 P275 F282 L283 R298 F299 F369 T370L274-L372 HydrophobicContact CB-CD1 3.86Å; P275-L372 HydrophobicContact CB-CD1 4.28Å; P275-L372 HydrophobicContact CG-CD1 4.02Å; F282-L372 HydrophobicContact CB-CD2 4.01Å; F282-L372 HydrophobicContact CD2-CD2 4.48Å; L283-L372 HydrophobicContact CD1-CD2 3.5Å; L283-L372 HydrophobicContact CD1-CG 4.43Å; L283-L372 HydrophobicContact CG-CD2 4.32Å; R298-L372 CarbonylContact C-O 3.6Å; R298-L372 VanDerWaalsContact CA-O 3.26Å; R298-L372 WeakPolarHBondContact CA-O 3.34Å; R298-L372 WeakPolarHBondContact CB-O 3.44Å; F299-L372 HydrophobicContact CD2-CB 3.9Å; F299-L372 WeakPolarHBondContact CD2-O 3.35Å; F299-L372 HydrophobicContact CE2-CB 3.96Å; F299-L372 HydrophobicContact CE2-CD1 4.3Å; F299-L372 PolarHBondContact N-O 3.45Å; F369-L372 HydrophobicContact CD2-CD1 4.44Å; F369-L372 WeakPolarHBondContact O-CB 3.13Å; F369-L372 PolarHBondContact O-N 3.34Å; F369-L372 VanDerWaalsContact O-N 3.08Å; T370-L372 VanDerWaalsContact C-N 3.33Å
373L85.4Confident79.4Confident0 Ų048.6 Ų48.60%027%0.271CS..EExtended strand (participates in β ladder)trans-85.4145.8-179.6-54.9-179.5000111.1R298 F299 I302 F369 T370 D371 A377 F411 Y429 R431R298-L373 WeakPolarHBondContact CD-O 3.23Å; F299-L373 HydrophobicContact CB-CD2 4.28Å; I302-L373 HydrophobicContact CD1-CD2 3.39Å; F369-L373 HydrophobicContact CD1-CD1 4.35Å; F369-L373 HydrophobicContact CE1-CD1 4.14Å; F369-L373 HydrophobicContact CE1-CD2 4.04Å; F369-L373 HydrophobicContact CE1-CG 4.37Å; F369-L373 HydrophobicContact CZ-CD2 4.18Å; T370-L373 PolarHBondContact O-N 2.62Å; D371-L373 VanDerWaalsContact C-N 3.28Å; L373-A377 HydrophobicContact CB-CB 4.1Å; L373-A377 HydrophobicContact CD2-CB 4.26Å; L373-F411 HydrophobicContact CD1-CE1 4.42Å; L373-F411 HydrophobicContact CD1-CE2 4.08Å; L373-F411 HydrophobicContact CD1-CZ 3.59Å; L373-F411 HydrophobicContact CD2-CZ 4.49Å; L373-Y429 HydrophobicContact CB-CD1 4.04Å; L373-Y429 HydrophobicContact CB-CE1 4.11Å; L373-Y429 HydrophobicContact CD1-CD1 3.78Å; L373-Y429 HydrophobicContact CD1-CD2 4.11Å; L373-Y429 HydrophobicContact CD1-CE1 4.11Å; L373-Y429 HydrophobicContact CD1-CE2 4.43Å; L373-Y429 HydrophobicContact CD1-CG 3.79Å; L373-R431 PolarHBondContact O-NH2 3.42Å; L373-R431 VanDerWaalsContact O-NH2 3.14Å
374E85.2Confident81.7Confident80 Ų8042.2 Ų42.237%0.37424%0.237SC..EExtended strand (participates in β ladder)trans-64166.9163.5-71.2-170.8174.500111R298 F299 S300 E376R298-E374 HydrophobicContact CB-CB 4.4Å; R298-E374 HydrophobicContact CB-CG 3.44Å; R298-E374 VanDerWaalsContact CB-CG 3.44Å; F299-E374 PolarHBondContact O-N 2.98Å; S300-E374 VanDerWaalsContact CB-OE2 3.27Å; S300-E374 WeakPolarHBondContact CB-OE2 3.1Å; E374-E376 PolarHBondContact O-N 3.22Å
375D85.6Confident83.8Confident75 Ų7537.4 Ų37.440%0.40121%0.212SC..EExtended strand (participates in β ladder)trans-64.2-28.3-178.4-60.7-35.4000111.8K430 R431D375-K430 WeakPolarHBondContact O-CA 3.48Å; D375-R431 HydrophobicContact CB-CB 4.41Å; D375-R431 PolarHBondContact O-N 3.04Å; D375-R431 IonicContact OD1-CZ 2.87Å; D375-R431 IonicContact OD1-NE 3.95Å; D375-R431 IonicContact OD1-NH1 2.75Å; D375-R431 PolarHBondContact OD1-NH1 2.96Å
376E88.9Confident85.5Confident116 Ų11634.6 Ų34.654%0.54219%0.188SC..EExtended strand (participates in β ladder)trans-121.1121.9161.5-60.9-161.9144.800109E374 Y429 K430E374-E376 PolarHBondContact O-N 3.22Å; E376-Y429 WeakPolarHBondContact CA-O 3.38Å; E376-K430 HydrophobicContact CG-CG 4.44Å; E376-K430 WeakPolarHBondContact OE1-CE 3.49Å; E376-K430 IonicContact OE1-NZ 3.97Å; E376-K430 PolarHBondContact OE1-NZ 3.15Å
377A90.8Very high87Confident3 Ų332.4 Ų32.43%0.02517%0.168CC..EExtended strand (participates in β ladder)trans-130.6143.7176.200000111.2S300 L373 R428 Y429S300-A377 CarbonylContact O-C 3.54Å; S300-A377 VanDerWaalsContact O-CA 3.32Å; S300-A377 WeakPolarHBondContact O-CA 3.22Å; L373-A377 HydrophobicContact CB-CB 4.1Å; L373-A377 HydrophobicContact CD2-CB 4.26Å; A377-R428 CarbonylContact O-C 3.59Å; A377-R428 WeakPolarHBondContact O-CA 3.22Å; A377-Y429 HydrophobicContact CB-CD1 4.49Å; A377-Y429 PolarHBondContact N-O 2.94Å; A377-Y429 VanDerWaalsContact N-O 3.09Å; A377-Y429 PolarHBondContact O-N 3.24Å
378L93.4Very high88.1Confident51 Ų5132.3 Ų32.327%0.26717%0.167SC..EExtended strand (participates in β ladder)trans-107.7125.7179.5-174.770.9000110S300 I301 I302 I380 V414 Y426S300-L378 PolarHBondContact O-N 3.12Å; I301-L378 CarbonylContact C-O 3.52Å; I301-L378 WeakPolarHBondContact CA-O 3.42Å; I301-L378 HydrophobicContact CG1-CB 4.44Å; I302-L378 PolarHBondContact N-O 3.14Å; L378-I380 HydrophobicContact CD2-CD1 3.98Å; L378-I380 HydrophobicContact CD2-CG1 3.96Å; L378-I380 HydrophobicContact CG-CG1 4.04Å; L378-V414 HydrophobicContact CD1-CG2 4.17Å; L378-Y426 HydrophobicContact CD1-CD1 4.41Å; L378-Y426 HydrophobicContact CD2-CD1 4.45Å
379L93.6Very high88.7Confident2 Ų236.3 Ų36.31%0.0118%0.182CC..EExtended strand (participates in β ladder)trans-104.2120.2170.7172.766.4000108.9I302 I304 L312 V381 A406 F411 F427I302-L379 HydrophobicContact CB-CD1 4Å; I302-L379 HydrophobicContact CG2-CD1 3.74Å; I302-L379 WeakPolarHBondContact O-CA 3.22Å; I304-L379 HydrophobicContact CD1-CD1 3.7Å; I304-L379 HydrophobicContact CG1-CD1 3.94Å; L312-L379 HydrophobicContact CD1-CD2 4.25Å; L312-L379 HydrophobicContact CD2-CD2 4.44Å; L379-V381 HydrophobicContact CD1-CG2 4.21Å; L379-V381 HydrophobicContact CD2-CG2 4.29Å; L379-V381 HydrophobicContact CG-CG2 3.98Å; L379-A406 HydrophobicContact CD2-CB 4.33Å; L379-F411 HydrophobicContact CB-CD1 3.73Å; L379-F411 HydrophobicContact CB-CE1 3.6Å; L379-F411 HydrophobicContact CB-CZ 4.28Å; L379-F411 HydrophobicContact CD2-CD1 4.35Å; L379-F411 HydrophobicContact CD2-CD2 4.44Å; L379-F411 HydrophobicContact CD2-CG 4.34Å; L379-F427 HydrophobicContact CB-CB 4.22Å; L379-F427 HydrophobicContact CD2-CB 4.43Å; L379-F427 HydrophobicContact CD2-CD2 4.21Å; L379-F427 HydrophobicContact CG-CD2 4.38Å; L379-F427 PolarHBondContact N-O 3.34Å; L379-F427 PolarHBondContact O-N 3.05Å
380I95Very high89.2Confident27 Ų2737.6 Ų37.614%0.13819%0.19CC..EExtended strand (participates in β ladder)trans-109.5120.4177.1-53.7176.9000107.6I301 I302 Y303 I304 L378 H424 L425 Y426I301-I380 HydrophobicContact CG2-CD1 3.97Å; I302-I380 PolarHBondContact O-N 2.81Å; Y303-I380 WeakPolarHBondContact CA-O 3.15Å; Y303-I380 HydrophobicContact CD2-CB 4.09Å; Y303-I380 HydrophobicContact CD2-CG2 3.9Å; Y303-I380 HydrophobicContact CE2-CG2 4.17Å; I304-I380 PolarHBondContact N-O 2.99Å; L378-I380 HydrophobicContact CD2-CD1 3.98Å; L378-I380 HydrophobicContact CD2-CG1 3.96Å; L378-I380 HydrophobicContact CG-CG1 4.04Å; I380-H424 HydrophobicContact CG2-CB 4.09Å; I380-L425 WeakPolarHBondContact CA-O 3.33Å; I380-Y426 HydrophobicContact CD1-CE1 4.16Å; I380-Y426 HydrophobicContact CG1-CD1 3.98Å; I380-Y426 HydrophobicContact CG1-CE1 4.04Å; I380-Y426 HydrophobicContact CG2-CE1 4.17Å
381V94.8Very high89.7Confident0 Ų044.7 Ų44.70%021%0.213CC..EExtended strand (participates in β ladder)trans-116.3130.3177-1750000109.5I304 V309 L379 V402 H424 L425 F427I304-V381 HydrophobicContact CB-CG2 4.49Å; I304-V381 WeakPolarHBondContact O-CA 3.48Å; V309-V381 HydrophobicContact CG2-CG1 3.46Å; V309-V381 VanDerWaalsContact CG2-CG1 3.46Å; L379-V381 HydrophobicContact CD1-CG2 4.21Å; L379-V381 HydrophobicContact CD2-CG2 4.29Å; L379-V381 HydrophobicContact CG-CG2 3.98Å; V381-V402 HydrophobicContact CB-CG1 4.26Å; V381-V402 HydrophobicContact CG1-CG1 4Å; V381-V402 HydrophobicContact CG2-CG1 4.15Å; V381-H424 CarbonylContact O-C 3.32Å; V381-H424 WeakPolarHBondContact O-CA 3.42Å; V381-L425 HydrophobicContact CB-CB 4.31Å; V381-L425 PolarHBondContact N-O 3.06Å; V381-L425 PolarHBondContact O-N 3.31Å; V381-F427 HydrophobicContact CG2-CD2 4.35Å; V381-F427 HydrophobicContact CG2-CE2 4.17Å
382E93.1Very high90.2Very high63 Ų6343.7 Ų43.729%0.29421%0.21SC..EExtended strand (participates in β ladder)trans-62.8134172.9-72.9175.6-176.500111.4Y303 I304 G305 N306 Y398Y303-E382 HydrophobicContact CE1-CG 4.26Å; Y303-E382 WeakPolarHBondContact CE1-OE1 3.22Å; Y303-E382 HydrophobicContact CE2-CG 4.35Å; Y303-E382 VanDerWaalsContact CZ-OE1 3.28Å; Y303-E382 WeakPolarHBondContact OH-CG 3.31Å; Y303-E382 PolarHBondContact OH-OE1 3.08Å; I304-E382 PolarHBondContact O-N 3.45Å; G305-E382 WeakPolarHBondContact CA-OE2 3.4Å; N306-E382 HydrophobicContact CB-CB 4.35Å; N306-E382 PolarHBondContact N-OE2 3Å; E382-Y398 PolarHBondContact O-OH 3.27Å
383S91.3Very high90.7Very high18 Ų1849.8 Ų49.813%0.12624%0.239CC..  trans-77.8156.2171.9-174.50000111.7L385 D422 H423S383-L385 VanDerWaalsContact C-N 3.3Å; S383-L385 WeakPolarHBondContact OG-CB 3.48Å; S383-L385 PolarHBondContact OG-N 2.97Å; S383-D422 WeakPolarHBondContact CB-O 3.23Å; S383-D422 PolarHBondContact OG-O 2.85Å; S383-D422 VanDerWaalsContact OG-O 3.14Å; S383-H423 WeakPolarHBondContact CB-O 3.37Å; S383-H423 PolarHBondContact N-O 3.06Å
384I92.3Very high91.1Very high13 Ų1354.9 Ų54.97%0.06726%0.263CS..SBendtrans-92.99.9170.966.6173.6000113.4N306 Y386 I387 V390 I395 Y398N306-I384 HydrophobicContact CB-CG2 4.24Å; N306-I384 WeakPolarHBondContact ND2-CG2 3.31Å; N306-I384 WeakPolarHBondContact OD1-CG2 3.16Å; I384-Y386 PolarHBondContact O-N 3.03Å; I384-I387 HydrophobicContact CB-CD1 3.9Å; I384-I387 HydrophobicContact CB-CG1 4.34Å; I384-I387 HydrophobicContact CG2-CD1 4.05Å; I384-I387 PolarHBondContact O-N 3.41Å; I384-I387 VanDerWaalsContact O-N 3.11Å; I384-V390 HydrophobicContact CD1-CG1 3.94Å; I384-I395 HydrophobicContact CD1-CG1 4.5Å; I384-I395 HydrophobicContact CG1-CB 4.45Å; I384-I395 HydrophobicContact CG1-CG1 4.22Å; I384-I395 HydrophobicContact CG1-CG2 4.28Å; I384-Y398 VanDerWaalsContact CD1-CB 3.44Å; I384-Y398 HydrophobicContact CD1-CD1 4.04Å; I384-Y398 HydrophobicContact CD1-CD2 3.86Å; I384-Y398 HydrophobicContact CD1-CG 3.52Å; I384-Y398 HydrophobicContact CG1-CD1 3.8Å; I384-Y398 HydrophobicContact CG1-CD2 4.42Å; I384-Y398 HydrophobicContact CG1-CE1 4.32Å; I384-Y398 HydrophobicContact CG1-CG 3.84Å; I384-Y398 HydrophobicContact CG2-CD1 4.12Å; I384-Y398 HydrophobicContact CG2-CD2 4.13Å; I384-Y398 HydrophobicContact CG2-CE1 3.84Å; I384-Y398 HydrophobicContact CG2-CE2 3.82Å; I384-Y398 HydrophobicContact CG2-CG 4.25Å
385L91.3Very high91.5Very high0 Ų051.1 Ų51.10%025%0.245CC..THydrogen-bonded Turntrans-46.6-40.9-176.8179.756.9000112.6R53 S383R53-L385 HydrophobicContact CB-CD1 4.09Å; R53-L385 HydrophobicContact CB-CG 4.49Å; R53-L385 WeakPolarHBondContact CD-O 3.35Å; R53-L385 HydrophobicContact CG-CD1 4.04Å; R53-L385 PolarHBondContact NE-O 3.44Å; R53-L385 PolarHBondContact NH1-O 2.85Å; S383-L385 VanDerWaalsContact C-N 3.3Å; S383-L385 WeakPolarHBondContact OG-CB 3.48Å; S383-L385 PolarHBondContact OG-N 2.97Å
386Y90.5Very high91.9Very high34 Ų3452.5 Ų52.513%0.13325%0.248CC..THydrogen-bonded Turntrans-91.50.8-172.7-58.3-51.1000116.4R53 V55 L116 I120 I384 V388 H423R53-Y386 PolarHBondContact NH1-O 3Å; V55-Y386 HydrophobicContact CG2-CD1 3.99Å; V55-Y386 HydrophobicContact CG2-CE1 3.26Å; L116-Y386 HydrophobicContact CD1-CG 4.25Å; L116-Y386 HydrophobicContact CD2-CD1 3.87Å; L116-Y386 HydrophobicContact CD2-CD2 4.46Å; L116-Y386 HydrophobicContact CD2-CE1 4.23Å; L116-Y386 HydrophobicContact CD2-CG 4Å; I120-Y386 HydrophobicContact CD1-CE2 4.03Å; I120-Y386 VanDerWaalsContact CD1-OH 3.22Å; I120-Y386 WeakPolarHBondContact CD1-OH 3.46Å; I384-Y386 PolarHBondContact O-N 3.03Å; Y386-V388 PolarHBondContact O-N 3.24Å; Y386-V388 VanDerWaalsContact O-N 3.09Å; Y386-H423 AromaticContact CE2-ND1 3.7Å; Y386-H423 AromaticContact CZ-CE1 3.98Å; Y386-H423 AromaticContact CZ-ND1 3.51Å; Y386-H423 PolarHBondContact OH-CE1 2.77Å; Y386-H423 PolarHBondContact OH-ND1 3.25Å
387I90.6Very high92.2Very high52 Ų5248.9 Ų48.927%0.26724%0.237SC..  trans-75.4106.2177.5-54.1-177.6000109.3R53 I384 E389 V390R53-I387 VanDerWaalsContact CZ-O 3.3Å; R53-I387 PolarHBondContact NH1-O 3.45Å; R53-I387 PolarHBondContact NH2-O 3.49Å; I384-I387 HydrophobicContact CB-CD1 3.9Å; I384-I387 HydrophobicContact CB-CG1 4.34Å; I384-I387 HydrophobicContact CG2-CD1 4.05Å; I384-I387 PolarHBondContact O-N 3.41Å; I384-I387 VanDerWaalsContact O-N 3.11Å; I387-E389 PolarHBondContact O-N 3.34Å; I387-V390 HydrophobicContact CB-CB 4.32Å; I387-V390 HydrophobicContact CB-CG2 3.77Å; I387-V390 HydrophobicContact CD1-CG2 4.49Å; I387-V390 HydrophobicContact CG2-CB 4.47Å; I387-V390 HydrophobicContact CG2-CG2 3.59Å; I387-V390 PolarHBondContact O-N 2.99Å; I387-V390 VanDerWaalsContact O-N 3.11Å
388V87.9Confident92.4Very high17 Ų1750.2 Ų50.210%0.10324%0.242CC..THydrogen-bonded Turntrans-56.3-34.9-172.6175.40000112.8D45 T49 L50 I111 Y386 V390D45-V388 HydrophobicContact CB-CG1 3.99Å; D45-V388 WeakPolarHBondContact OD1-CG1 3.42Å; T49-V388 HydrophobicContact CG2-CB 4.26Å; T49-V388 HydrophobicContact CG2-CG1 3.9Å; T49-V388 HydrophobicContact CG2-CG2 4.45Å; L50-V388 HydrophobicContact CD2-CG2 4.39Å; I111-V388 HydrophobicContact CG2-CB 3.89Å; I111-V388 HydrophobicContact CG2-CG2 3.63Å; Y386-V388 PolarHBondContact O-N 3.24Å; Y386-V388 VanDerWaalsContact O-N 3.09Å; V388-V390 VanDerWaalsContact C-N 3.29Å; V388-V390 PolarHBondContact O-N 3.38Å
389E87.5Confident92.4Very high117 Ų11748 Ų4855%0.54723%0.23SC..THydrogen-bonded Turntrans-76.5-11.9-177.2-61.5-175.7157.900114.5H30 I387H30-E389 IonicContact CE1-OE1 3.93Å; H30-E389 PolarHBondContact CE1-OE1 2.88Å; H30-E389 IonicContact ND1-OE1 3.86Å; H30-E389 PolarHBondContact ND1-OE1 3.28Å; I387-E389 PolarHBondContact O-N 3.34Å
390V91.5Very high92.4Very high29 Ų2954.2 Ų54.218%0.17626%0.26CS..SBendtrans-91131.2-176-178.50000110.4R53 I384 I387 V388 Q394 I395R53-V390 PolarHBondContact NH2-O 3.47Å; I384-V390 HydrophobicContact CD1-CG1 3.94Å; I387-V390 HydrophobicContact CB-CB 4.32Å; I387-V390 HydrophobicContact CB-CG2 3.77Å; I387-V390 HydrophobicContact CD1-CG2 4.49Å; I387-V390 HydrophobicContact CG2-CB 4.47Å; I387-V390 HydrophobicContact CG2-CG2 3.59Å; I387-V390 PolarHBondContact O-N 2.99Å; I387-V390 VanDerWaalsContact O-N 3.11Å; V388-V390 VanDerWaalsContact C-N 3.29Å; V388-V390 PolarHBondContact O-N 3.38Å; V390-Q394 HydrophobicContact CG1-CB 3.58Å; V390-I395 HydrophobicContact CB-CG1 4.43Å; V390-I395 HydrophobicContact CG1-CG1 3.7Å
391R91.5Very high92.4Very high183 Ų18357.4 Ų57.469%0.69128%0.277SS*.  trans-78.2154.8177.6-61.5-176.2179.8174.8-1.1112.1E393 Q394 I395R391-E393 WeakPolarHBondContact CB-OE2 3.35Å; R391-E393 PolarHBondContact O-N 3.3Å; R391-E393 VanDerWaalsContact O-N 3.16Å; R391-Q394 HydrophobicContact CB-CG 4.46Å; R391-Q394 WeakPolarHBondContact O-CA 3.47Å; R391-Q394 WeakPolarHBondContact O-CB 3.49Å; R391-Q394 PolarHBondContact O-N 3.47Å; R391-I395 WeakPolarHBondContact O-CG1 3.5Å; R391-I395 PolarHBondContact O-N 2.9Å; R391-I395 VanDerWaalsContact O-N 3.08Å
392S90.6Very high92.3Very high36 Ų3657.5 Ų57.525%0.25228%0.277SS..Hα-helixtrans-54.1-36.6179.7-49.80000113.3Q394 I395 K396 M420S392-Q394 VanDerWaalsContact C-N 3.35Å; S392-Q394 PolarHBondContact O-N 2.96Å; S392-I395 PolarHBondContact O-N 3.37Å; S392-K396 WeakPolarHBondContact O-CG 3.27Å; S392-K396 PolarHBondContact O-N 2.85Å; S392-K396 VanDerWaalsContact O-N 3.14Å; S392-M420 WeakPolarHBondContact OG-CE 3.36Å
393E92.9Very high92.4Very high130 Ų13056.1 Ų56.161%0.60728%0.275SS*.Hα-helixtrans-67-36.5176.5-57.874.4-15400112.2R391 K396 A397R391-E393 WeakPolarHBondContact CB-OE2 3.35Å; R391-E393 PolarHBondContact O-N 3.3Å; R391-E393 VanDerWaalsContact O-N 3.16Å; E393-K396 PolarHBondContact O-N 2.93Å; E393-A397 WeakPolarHBondContact O-CB 3.24Å; E393-A397 PolarHBondContact O-N 3.27Å
394Q94.7Very high92.4Very high107 Ų10760.1 Ų60.150%0.529%0.291SS..Hα-helixtrans-72.3-34.1178.4-64.4174.6-48.400111.4V390 R391 S392 Y398V390-Q394 HydrophobicContact CG1-CB 3.58Å; R391-Q394 HydrophobicContact CB-CG 4.46Å; R391-Q394 WeakPolarHBondContact O-CA 3.47Å; R391-Q394 WeakPolarHBondContact O-CB 3.49Å; R391-Q394 PolarHBondContact O-N 3.47Å; S392-Q394 VanDerWaalsContact C-N 3.35Å; S392-Q394 PolarHBondContact O-N 2.96Å; Q394-Y398 WeakPolarHBondContact O-CB 3.42Å; Q394-Y398 PolarHBondContact O-N 2.76Å
395I93.2Very high92.5Very high0 Ų061.4 Ų61.40%030%0.298CS..Hα-helixtrans-63.3-44.7173.6-58172.7000110.2I384 V390 R391 S392 Y398 C399 P419 M420I384-I395 HydrophobicContact CD1-CG1 4.5Å; I384-I395 HydrophobicContact CG1-CB 4.45Å; I384-I395 HydrophobicContact CG1-CG1 4.22Å; I384-I395 HydrophobicContact CG1-CG2 4.28Å; V390-I395 HydrophobicContact CB-CG1 4.43Å; V390-I395 HydrophobicContact CG1-CG1 3.7Å; R391-I395 WeakPolarHBondContact O-CG1 3.5Å; R391-I395 PolarHBondContact O-N 2.9Å; R391-I395 VanDerWaalsContact O-N 3.08Å; S392-I395 PolarHBondContact O-N 3.37Å; I395-Y398 WeakPolarHBondContact O-CB 3.23Å; I395-Y398 PolarHBondContact O-N 3.36Å; I395-C399 PolarHBondContact O-N 3.12Å; I395-C399 PolarHBondContact O-SG 3.36Å; I395-P419 HydrophobicContact CG2-CB 4.23Å; I395-P419 VanDerWaalsContact CG2-O 3.31Å; I395-P419 WeakPolarHBondContact CG2-O 3.14Å; I395-M420 HydrophobicContact CB-SD 4.46Å; I395-M420 HydrophobicContact CD1-SD 4.18Å; I395-M420 HydrophobicContact CG2-SD 4.41Å
396K94.3Very high92.5Very high105 Ų10561.4 Ų61.446%0.45730%0.298SS..Hα-helixtrans-61.8-50.4175.7-68.7175.7-178.2-178.70111.7S392 E393 Y398 C399 E400 P419S392-K396 WeakPolarHBondContact O-CG 3.27Å; S392-K396 PolarHBondContact O-N 2.85Å; S392-K396 VanDerWaalsContact O-N 3.14Å; E393-K396 PolarHBondContact O-N 2.93Å; K396-Y398 VanDerWaalsContact C-N 3.26Å; K396-Y398 PolarHBondContact O-N 3.05Å; K396-C399 PolarHBondContact O-N 2.85Å; K396-C399 VanDerWaalsContact O-N 3.1Å; K396-E400 WeakPolarHBondContact O-CG 3.49Å; K396-E400 PolarHBondContact O-N 3.34Å; K396-P419 HydrophobicContact CG-CB 3.93Å; K396-P419 HydrophobicContact CG-CG 4.09Å
397A94.6Very high92.5Very high39 Ų3967.6 Ų67.632%0.32232%0.322SS..Hα-helixtrans-60.3-35.3177.600000112.5E393 N401E393-A397 WeakPolarHBondContact O-CB 3.24Å; E393-A397 PolarHBondContact O-N 3.27Å; A397-N401 WeakPolarHBondContact O-CB 3.44Å; A397-N401 PolarHBondContact O-N 3.49Å; A397-N401 PolarHBondContact O-ND2 3.29Å
398Y95.1Very high92.5Very high32 Ų3267.9 Ų67.913%0.12532%0.324CS..Hα-helixtrans-61.8-50.3172.8175-92.7000111.4N306 V309 E382 I384 Q394 I395 K396 E400 N401 V402N306-Y398 WeakPolarHBondContact OD1-CE2 3.43Å; N306-Y398 PolarHBondContact OD1-OH 2.77Å; V309-Y398 WeakPolarHBondContact CG2-OH 3.39Å; E382-Y398 PolarHBondContact O-OH 3.27Å; I384-Y398 VanDerWaalsContact CD1-CB 3.44Å; I384-Y398 HydrophobicContact CD1-CD1 4.04Å; I384-Y398 HydrophobicContact CD1-CD2 3.86Å; I384-Y398 HydrophobicContact CD1-CG 3.52Å; I384-Y398 HydrophobicContact CG1-CD1 3.8Å; I384-Y398 HydrophobicContact CG1-CD2 4.42Å; I384-Y398 HydrophobicContact CG1-CE1 4.32Å; I384-Y398 HydrophobicContact CG1-CG 3.84Å; I384-Y398 HydrophobicContact CG2-CD1 4.12Å; I384-Y398 HydrophobicContact CG2-CD2 4.13Å; I384-Y398 HydrophobicContact CG2-CE1 3.84Å; I384-Y398 HydrophobicContact CG2-CE2 3.82Å; I384-Y398 HydrophobicContact CG2-CG 4.25Å; Q394-Y398 WeakPolarHBondContact O-CB 3.42Å; Q394-Y398 PolarHBondContact O-N 2.76Å; I395-Y398 WeakPolarHBondContact O-CB 3.23Å; I395-Y398 PolarHBondContact O-N 3.36Å; K396-Y398 VanDerWaalsContact C-N 3.26Å; K396-Y398 PolarHBondContact O-N 3.05Å; Y398-E400 VanDerWaalsContact C-N 3.3Å; Y398-E400 PolarHBondContact O-N 3.45Å; Y398-N401 PolarHBondContact O-N 3.45Å; Y398-N401 VanDerWaalsContact O-N 3.16Å; Y398-V402 HydrophobicContact CD1-CG2 4.01Å; Y398-V402 HydrophobicContact CD2-CG2 4.31Å; Y398-V402 HydrophobicContact CE1-CG2 3.64Å; Y398-V402 HydrophobicContact CE2-CG2 4Å; Y398-V402 HydrophobicContact CG-CG2 4.34Å; Y398-V402 WeakPolarHBondContact O-CG2 3.02Å; Y398-V402 PolarHBondContact O-N 3.05Å
399C93.8Very high92.5Very high3 Ų367.3 Ų67.32%0.0232%0.32CS..Hα-helixtrans-60.3-40-179.9-64.60000112.1I395 K396 S403 I417 P419I395-C399 PolarHBondContact O-N 3.12Å; I395-C399 PolarHBondContact O-SG 3.36Å; K396-C399 PolarHBondContact O-N 2.85Å; K396-C399 VanDerWaalsContact O-N 3.1Å; C399-S403 WeakPolarHBondContact O-CB 3.39Å; C399-S403 PolarHBondContact O-N 2.97Å; C399-S403 PolarHBondContact O-OG 3.15Å; C399-I417 HydrophobicContact CB-CG2 4.05Å; C399-P419 HydrophobicContact CB-CB 4.3Å; C399-P419 HydrophobicContact CB-CG 4.03Å
400E94Very high92.5Very high134 Ų13463.8 Ų63.863%0.62632%0.315SS*.Hα-helixtrans-61.9-47.5174.2-70.8169.9-16800111.5K396 Y398 V402 S403 Q404K396-E400 WeakPolarHBondContact O-CG 3.49Å; K396-E400 PolarHBondContact O-N 3.34Å; Y398-E400 VanDerWaalsContact C-N 3.3Å; Y398-E400 PolarHBondContact O-N 3.45Å; E400-V402 PolarHBondContact O-N 3.06Å; E400-S403 WeakPolarHBondContact O-CB 3.41Å; E400-S403 PolarHBondContact O-N 3.08Å; E400-Q404 PolarHBondContact O-N 2.6Å
401N94.2Very high92.5Very high94 Ų9462.5 Ų62.550%0.50331%0.307SS..Hα-helixtrans-62.3-43.7178.1-74.5-32.4000112.4A397 Y398 S403 Q404 M405A397-N401 WeakPolarHBondContact O-CB 3.44Å; A397-N401 PolarHBondContact O-N 3.49Å; A397-N401 PolarHBondContact O-ND2 3.29Å; Y398-N401 PolarHBondContact O-N 3.45Å; Y398-N401 VanDerWaalsContact O-N 3.16Å; N401-S403 VanDerWaalsContact C-N 3.32Å; N401-Q404 PolarHBondContact O-N 2.83Å; N401-M405 HydrophobicContact CB-CE 4.28Å; N401-M405 VanDerWaalsContact O-CG 3.26Å; N401-M405 WeakPolarHBondContact O-CG 3.39Å; N401-M405 PolarHBondContact O-N 2.77Å
402V94.2Very high92.5Very high1 Ų159.7 Ų59.71%0.00630%0.302CS..Hα-helixtrans-64.5-40.5176.8178.70000110.8V309 V381 Y398 E400 Q404 M405 A406 L425 F427V309-V402 HydrophobicContact CG1-CG2 3.62Å; V381-V402 HydrophobicContact CB-CG1 4.26Å; V381-V402 HydrophobicContact CG1-CG1 4Å; V381-V402 HydrophobicContact CG2-CG1 4.15Å; Y398-V402 HydrophobicContact CD1-CG2 4.01Å; Y398-V402 HydrophobicContact CD2-CG2 4.31Å; Y398-V402 HydrophobicContact CE1-CG2 3.64Å; Y398-V402 HydrophobicContact CE2-CG2 4Å; Y398-V402 HydrophobicContact CG-CG2 4.34Å; Y398-V402 WeakPolarHBondContact O-CG2 3.02Å; Y398-V402 PolarHBondContact O-N 3.05Å; E400-V402 PolarHBondContact O-N 3.06Å; V402-Q404 VanDerWaalsContact C-N 3.32Å; V402-Q404 PolarHBondContact O-N 3.34Å; V402-M405 PolarHBondContact O-N 3.13Å; V402-A406 WeakPolarHBondContact O-CB 3.4Å; V402-A406 PolarHBondContact O-N 3.32Å; V402-L425 HydrophobicContact CB-CD1 4.08Å; V402-L425 HydrophobicContact CG1-CD1 3.96Å; V402-F427 HydrophobicContact CG1-CE2 3.85Å; V402-F427 HydrophobicContact CG1-CZ 3.99Å
403S93.4Very high92.5Very high34 Ų3461.3 Ų61.324%0.23831%0.313CS..Hα-helixtrans-61.5-42.3177.3-57.40000111.5C399 E400 N401 A406 Y407 I417C399-S403 WeakPolarHBondContact O-CB 3.39Å; C399-S403 PolarHBondContact O-N 2.97Å; C399-S403 PolarHBondContact O-OG 3.15Å; E400-S403 WeakPolarHBondContact O-CB 3.41Å; E400-S403 PolarHBondContact O-N 3.08Å; N401-S403 VanDerWaalsContact C-N 3.32Å; S403-A406 PolarHBondContact O-N 3.17Å; S403-Y407 WeakPolarHBondContact O-CB 3.36Å; S403-Y407 PolarHBondContact O-N 3.49Å; S403-I417 WeakPolarHBondContact OG-CD1 3.07Å
404Q93.3Very high92.3Very high102 Ų10258.5 Ų58.548%0.47731%0.305SS..Hα-helixtrans-64.1-46174.4-170.762.45300111.5E400 N401 V402 A406 Y407 D408E400-Q404 PolarHBondContact O-N 2.6Å; N401-Q404 PolarHBondContact O-N 2.83Å; V402-Q404 VanDerWaalsContact C-N 3.32Å; V402-Q404 PolarHBondContact O-N 3.34Å; Q404-A406 VanDerWaalsContact C-N 3.28Å; Q404-A406 PolarHBondContact O-N 3.17Å; Q404-Y407 PolarHBondContact O-N 3.36Å; Q404-D408 PolarHBondContact NE2-OD1 2.97Å; Q404-D408 WeakPolarHBondContact O-CB 3.27Å; Q404-D408 PolarHBondContact O-N 2.95Å
405M92.8Very high92.1Very high41 Ų4157.5 Ų57.520%0.20230%0.299CS..Hα-helixtrans-60.3-37.1177.6-69.3174.7-159.500112.7V309 L312 N401 V402V309-M405 HydrophobicContact CG1-SD 4.08Å; L312-M405 HydrophobicContact CB-CB 4.12Å; N401-M405 HydrophobicContact CB-CE 4.28Å; N401-M405 VanDerWaalsContact O-CG 3.26Å; N401-M405 WeakPolarHBondContact O-CG 3.39Å; N401-M405 PolarHBondContact O-N 2.77Å; V402-M405 PolarHBondContact O-N 3.13Å
406A91.8Very high91.9Very high0 Ų065.3 Ų65.30%034%0.336CS..Hα-helixtrans-71-43.4176.600000111.3L379 V402 S403 Q404 D408 L409 G410 F411 F427L379-A406 HydrophobicContact CD2-CB 4.33Å; V402-A406 WeakPolarHBondContact O-CB 3.4Å; V402-A406 PolarHBondContact O-N 3.32Å; S403-A406 PolarHBondContact O-N 3.17Å; Q404-A406 VanDerWaalsContact C-N 3.28Å; Q404-A406 PolarHBondContact O-N 3.17Å; A406-D408 VanDerWaalsContact C-N 3.34Å; A406-D408 PolarHBondContact O-N 3.25Å; A406-L409 PolarHBondContact O-N 2.86Å; A406-L409 VanDerWaalsContact O-N 3.13Å; A406-G410 PolarHBondContact O-N 3.13Å; A406-F411 HydrophobicContact CB-CB 4.2Å; A406-F411 WeakPolarHBondContact O-CB 3.32Å; A406-F411 PolarHBondContact O-N 2.89Å; A406-F427 HydrophobicContact CB-CB 4.35Å; A406-F427 HydrophobicContact CB-CD1 3.63Å; A406-F427 HydrophobicContact CB-CD2 4.04Å; A406-F427 HydrophobicContact CB-CE1 3.83Å; A406-F427 HydrophobicContact CB-CE2 4.21Å; A406-F427 HydrophobicContact CB-CG 3.75Å; A406-F427 HydrophobicContact CB-CZ 4.11Å
407Y91.2Very high91.6Very high164 Ų16462.1 Ų62.164%0.64332%0.323SS*.Hα-helixtrans-61.1-42176.2-177.1-95.2000112.2S403 Q404 L409 G410 F411S403-Y407 WeakPolarHBondContact O-CB 3.36Å; S403-Y407 PolarHBondContact O-N 3.49Å; Q404-Y407 PolarHBondContact O-N 3.36Å; Y407-L409 PolarHBondContact O-N 3.09Å; Y407-L409 VanDerWaalsContact O-N 3.15Å; Y407-G410 PolarHBondContact O-N 2.94Å; Y407-F411 WeakPolarHBondContact CA-O 3.32Å
408D89.7Confident91.4Very high57 Ų5764.8 Ų64.831%0.30533%0.327SS..Hα-helixtrans-60.6-23.2176.8-69.9-12000112.8H316 Q404 A406H316-D408 HydrophobicContact CB-CB 4.45Å; H316-D408 PolarHBondContact CE1-O 3.39Å; H316-D408 VanDerWaalsContact CE1-O 3.26Å; H316-D408 PolarHBondContact ND1-O 2.9Å; Q404-D408 PolarHBondContact NE2-OD1 2.97Å; Q404-D408 WeakPolarHBondContact O-CB 3.27Å; Q404-D408 PolarHBondContact O-N 2.95Å; A406-D408 VanDerWaalsContact C-N 3.34Å; A406-D408 PolarHBondContact O-N 3.25Å
409L87.9Confident91.1Very high6 Ų664.7 Ų64.73%0.03133%0.331CS..THydrogen-bonded Turntrans-96.63.3175.5-68170.6000113.3L312 L315 H316 A406 Y407 F411L312-L409 HydrophobicContact CB-CD1 3.95Å; L312-L409 HydrophobicContact CD2-CD1 3.6Å; L312-L409 HydrophobicContact CG-CD1 4.35Å; L315-L409 HydrophobicContact CB-CD2 4.47Å; L315-L409 HydrophobicContact CD2-CD1 4.21Å; L315-L409 HydrophobicContact CD2-CD2 3.82Å; L315-L409 HydrophobicContact CG-CD2 4.13Å; H316-L409 HydrophobicContact CB-CD2 4.03Å; H316-L409 HydrophobicContact CB-CG 4.46Å; A406-L409 PolarHBondContact O-N 2.86Å; A406-L409 VanDerWaalsContact O-N 3.13Å; Y407-L409 PolarHBondContact O-N 3.09Å; Y407-L409 VanDerWaalsContact O-N 3.15Å; L409-F411 HydrophobicContact CB-CD2 3.88Å; L409-F411 HydrophobicContact CB-CE2 4.1Å
410G88.5Confident90.9Very high43 Ų4366.6 Ų66.644%0.44334%0.34SS..THydrogen-bonded Turntrans85.517.3179.600000115.2A406 Y407 Y429A406-G410 PolarHBondContact O-N 3.13Å; Y407-G410 PolarHBondContact O-N 2.94Å; G410-Y429 WeakPolarHBondContact O-CD2 3.38Å
411F91.7Very high90.6Very high2 Ų263.8 Ų63.81%0.00933%0.327CS..EExtended strand (participates in β ladder)trans-93.4142.7173.4-66.3-103.6000111.4F369 L373 L379 A406 Y407 L409 F427 Y429F369-F411 HydrophobicContact CE1-CE2 4.25Å; F369-F411 HydrophobicContact CE1-CZ 4.36Å; L373-F411 HydrophobicContact CD1-CE1 4.42Å; L373-F411 HydrophobicContact CD1-CE2 4.08Å; L373-F411 HydrophobicContact CD1-CZ 3.59Å; L373-F411 HydrophobicContact CD2-CZ 4.49Å; L379-F411 HydrophobicContact CB-CD1 3.73Å; L379-F411 HydrophobicContact CB-CE1 3.6Å; L379-F411 HydrophobicContact CB-CZ 4.28Å; L379-F411 HydrophobicContact CD2-CD1 4.35Å; L379-F411 HydrophobicContact CD2-CD2 4.44Å; L379-F411 HydrophobicContact CD2-CG 4.34Å; A406-F411 HydrophobicContact CB-CB 4.2Å; A406-F411 WeakPolarHBondContact O-CB 3.32Å; A406-F411 PolarHBondContact O-N 2.89Å; Y407-F411 WeakPolarHBondContact CA-O 3.32Å; L409-F411 HydrophobicContact CB-CD2 3.88Å; L409-F411 HydrophobicContact CB-CE2 4.1Å; F411-F427 HydrophobicContact CB-CB 3.8Å; F411-F427 HydrophobicContact CD1-CB 4.29Å; F411-F427 HydrophobicContact CG-CB 4.42Å; F411-Y429 VanDerWaalsContact CE1-CB 3.46Å; F411-Y429 HydrophobicContact CE1-CG 4.5Å
412E91.6Very high90.4Very high123 Ų12360.1 Ų60.158%0.57531%0.307SS*.EExtended strand (participates in β ladder)trans-108.8147.3175-63.5178.2170.700110.3V414 F427 R428E412-V414 PolarHBondContact O-N 3.19Å; E412-F427 CarbonylContact O-C 3.53Å; E412-F427 VanDerWaalsContact O-CA 3.24Å; E412-F427 WeakPolarHBondContact O-CA 3.38Å; E412-R428 PolarHBondContact N-O 3.39Å; E412-R428 PolarHBondContact O-N 2.97Å
413S90.1Very high90.2Very high70 Ų7064 Ų6449%0.4933%0.325SS..EExtended strand (participates in β ladder)trans-66.6133.7175.552.80000111.2
414V88.8Confident90.2Very high71 Ų7165.1 Ų65.143%0.4333%0.326SS..SBendtrans-75-35.6179.3177.90000111.5L378 E412 Y426 R428L378-V414 HydrophobicContact CD1-CG2 4.17Å; E412-V414 PolarHBondContact O-N 3.19Å; V414-Y426 PolarHBondContact N-O 3.27Å; V414-R428 HydrophobicContact CG2-CB 3.55Å
415K89Confident90.2Very high86 Ų8660.3 Ų60.337%0.37430%0.304SS..SBendtrans-134.9160.6-179.559.6169.1176.71690110.2I417 D422K415-I417 PolarHBondContact O-N 3.39Å; K415-D422 IonicContact NZ-OD1 3.7Å; K415-D422 PolarHBondContact NZ-OD1 3.28Å; K415-D422 IonicContact NZ-OD2 3.71Å
416E89.2Confident90.3Very high165 Ų16562.1 Ų62.177%0.77131%0.309SS*.  trans-58.6125.9168-173.7178.3-174.800109.2K418E416-K418 PolarHBondContact O-N 3.24Å
417I89Confident90.4Very high38 Ų3862.2 Ų62.220%0.19531%0.309CS..  trans-81.3121.3-175.8-64.7168.4000108.3C399 S403 K415 P419 L425 F427C399-I417 HydrophobicContact CB-CG2 4.05Å; S403-I417 WeakPolarHBondContact OG-CD1 3.07Å; K415-I417 PolarHBondContact O-N 3.39Å; I417-P419 WeakPolarHBondContact O-CD 3.4Å; I417-L425 HydrophobicContact CG1-CD2 4.37Å; I417-L425 HydrophobicContact CG2-CD2 3.53Å; I417-F427 HydrophobicContact CD1-CE1 3.93Å; I417-F427 HydrophobicContact CD1-CZ 4.06Å
418K90.7Very high90.5Very high95 Ų9559.1 Ų59.141%0.41330%0.296SS..  trans-108.598.6173.2-65.1-170.7-172.5-176.40109.5E416 M420 E421 D422E416-K418 PolarHBondContact O-N 3.24Å; K418-M420 PolarHBondContact O-N 3.38Å; K418-E421 HydrophobicContact CB-CB 3.96Å; K418-E421 HydrophobicContact CB-CG 4.34Å; K418-E421 HydrophobicContact CD-CB 4.34Å; K418-E421 HydrophobicContact CD-CG 4.31Å; K418-E421 WeakPolarHBondContact CD-OE2 3.43Å; K418-E421 IonicContact NZ-OE1 3Å; K418-E421 IonicContact NZ-OE2 2.97Å; K418-E421 PolarHBondContact NZ-OE2 3.26Å; K418-E421 PolarHBondContact O-N 3.2Å; K418-D422 PolarHBondContact N-OD2 3.18Å; K418-D422 WeakPolarHBondContact O-CB 3.22Å; K418-D422 PolarHBondContact O-N 3.28Å
419P88.9Confident90.6Very high30 Ų3057.5 Ų57.520%0.19529%0.286CS..THydrogen-bonded Turntrans-58.3-27.5-171.9-28.437000115I395 K396 C399 I417I395-P419 HydrophobicContact CG2-CB 4.23Å; I395-P419 VanDerWaalsContact CG2-O 3.31Å; I395-P419 WeakPolarHBondContact CG2-O 3.14Å; K396-P419 HydrophobicContact CG-CB 3.93Å; K396-P419 HydrophobicContact CG-CG 4.09Å; C399-P419 HydrophobicContact CB-CB 4.3Å; C399-P419 HydrophobicContact CB-CG 4.03Å; I417-P419 WeakPolarHBondContact O-CD 3.4Å
420M89.6Confident90.6Very high43 Ų4361.8 Ų61.821%0.21231%0.305CS..THydrogen-bonded Turntrans-98.94.2-176.5-57.6-61.6-86.100113.6S392 I395 K418S392-M420 WeakPolarHBondContact OG-CE 3.36Å; I395-M420 HydrophobicContact CB-SD 4.46Å; I395-M420 HydrophobicContact CD1-SD 4.18Å; I395-M420 HydrophobicContact CG2-SD 4.41Å; K418-M420 PolarHBondContact O-N 3.38Å
421E87.8Confident90.3Very high75 Ų7562.5 Ų62.535%0.3529%0.294SS..THydrogen-bonded Turntrans-127.7-36.9-179-61.5-178.9-173.200111.6K54 K418 H423K54-E421 HydrophobicContact CD-CG 4.17Å; K54-E421 IonicContact NZ-OE1 3.24Å; K54-E421 PolarHBondContact NZ-OE1 2.98Å; K54-E421 IonicContact NZ-OE2 3.3Å; K418-E421 HydrophobicContact CB-CB 3.96Å; K418-E421 HydrophobicContact CB-CG 4.34Å; K418-E421 HydrophobicContact CD-CB 4.34Å; K418-E421 HydrophobicContact CD-CG 4.31Å; K418-E421 WeakPolarHBondContact CD-OE2 3.43Å; K418-E421 IonicContact NZ-OE1 3Å; K418-E421 IonicContact NZ-OE2 2.97Å; K418-E421 PolarHBondContact NZ-OE2 3.26Å; K418-E421 PolarHBondContact O-N 3.2Å; E421-H423 PolarHBondContact O-N 3.47Å
422D89.6Confident89.5Confident16 Ų1669.4 Ų69.49%0.08633%0.33CS..  trans-77.2119.6-172.7-71.7-32.6000112.8S383 K415 K418 L425S383-D422 WeakPolarHBondContact CB-O 3.23Å; S383-D422 PolarHBondContact OG-O 2.85Å; S383-D422 VanDerWaalsContact OG-O 3.14Å; K415-D422 IonicContact NZ-OD1 3.7Å; K415-D422 PolarHBondContact NZ-OD1 3.28Å; K415-D422 IonicContact NZ-OD2 3.71Å; K418-D422 PolarHBondContact N-OD2 3.18Å; K418-D422 WeakPolarHBondContact O-CB 3.22Å; K418-D422 PolarHBondContact O-N 3.28Å; D422-L425 HydrophobicContact CB-CD2 4.43Å
423H90.2Very high88.3Confident83 Ų8370.4 Ų70.438%0.38434%0.338SS..SBendtrans-70-34.1171.9-45.2-39.1000112.5S383 Y386 E421S383-H423 WeakPolarHBondContact CB-O 3.37Å; S383-H423 PolarHBondContact N-O 3.06Å; Y386-H423 AromaticContact CE2-ND1 3.7Å; Y386-H423 AromaticContact CZ-CE1 3.98Å; Y386-H423 AromaticContact CZ-ND1 3.51Å; Y386-H423 PolarHBondContact OH-CE1 2.77Å; Y386-H423 PolarHBondContact OH-ND1 3.25Å; E421-H423 PolarHBondContact O-N 3.47Å
424H92.4Very high86.1Confident58 Ų5879.3 Ų79.327%0.26937%0.372SS..EExtended strand (participates in β ladder)trans-137.2144.4-178.7-61.894.5000109.7I380 V381 Y426I380-H424 HydrophobicContact CG2-CB 4.09Å; V381-H424 CarbonylContact O-C 3.32Å; V381-H424 WeakPolarHBondContact O-CA 3.42Å; H424-Y426 HydrophobicContact CB-CD2 4.44Å; H424-Y426 HydrophobicContact CB-CE2 3.75Å; H424-Y426 WeakPolarHBondContact O-CD2 3.28Å; H424-Y426 WeakPolarHBondContact O-CE2 3.16Å
425L93.3Very high85.9Confident1 Ų179.7 Ų79.71%0.00537%0.369CS..EExtended strand (participates in β ladder)trans-97128.6172.7-53.2177.9000108.6I380 V381 V402 I417 D422 F427I380-L425 WeakPolarHBondContact CA-O 3.33Å; V381-L425 HydrophobicContact CB-CB 4.31Å; V381-L425 PolarHBondContact N-O 3.06Å; V381-L425 PolarHBondContact O-N 3.31Å; V402-L425 HydrophobicContact CB-CD1 4.08Å; V402-L425 HydrophobicContact CG1-CD1 3.96Å; I417-L425 HydrophobicContact CG1-CD2 4.37Å; I417-L425 HydrophobicContact CG2-CD2 3.53Å; D422-L425 HydrophobicContact CB-CD2 4.43Å; L425-F427 HydrophobicContact CB-CD2 4.44Å; L425-F427 HydrophobicContact CB-CE2 3.57Å; L425-F427 HydrophobicContact CB-CZ 3.99Å; L425-F427 HydrophobicContact CD1-CE2 4.46Å; L425-F427 HydrophobicContact CD1-CZ 4.41Å
426Y94.8Very high85.8Confident78 Ų7879.4 Ų79.431%0.30637%0.369SS..EExtended strand (participates in β ladder)trans-113.7120.8-176.7-63-89.9000109.8L378 I380 V414 H424L378-Y426 HydrophobicContact CD1-CD1 4.41Å; L378-Y426 HydrophobicContact CD2-CD1 4.45Å; I380-Y426 HydrophobicContact CD1-CE1 4.16Å; I380-Y426 HydrophobicContact CG1-CD1 3.98Å; I380-Y426 HydrophobicContact CG1-CE1 4.04Å; I380-Y426 HydrophobicContact CG2-CE1 4.17Å; V414-Y426 PolarHBondContact N-O 3.27Å; H424-Y426 HydrophobicContact CB-CD2 4.44Å; H424-Y426 HydrophobicContact CB-CE2 3.75Å; H424-Y426 WeakPolarHBondContact O-CD2 3.28Å; H424-Y426 WeakPolarHBondContact O-CE2 3.16Å
427F94.9Very high85.6Confident3 Ų374.6 Ų74.61%0.01335%0.346CS..EExtended strand (participates in β ladder)trans-122.8143.2175.8-51.2-90.3000110.1L379 V381 V402 A406 F411 E412 I417 L425L379-F427 HydrophobicContact CB-CB 4.22Å; L379-F427 HydrophobicContact CD2-CB 4.43Å; L379-F427 HydrophobicContact CD2-CD2 4.21Å; L379-F427 HydrophobicContact CG-CD2 4.38Å; L379-F427 PolarHBondContact N-O 3.34Å; L379-F427 PolarHBondContact O-N 3.05Å; V381-F427 HydrophobicContact CG2-CD2 4.35Å; V381-F427 HydrophobicContact CG2-CE2 4.17Å; V402-F427 HydrophobicContact CG1-CE2 3.85Å; V402-F427 HydrophobicContact CG1-CZ 3.99Å; A406-F427 HydrophobicContact CB-CB 4.35Å; A406-F427 HydrophobicContact CB-CD1 3.63Å; A406-F427 HydrophobicContact CB-CD2 4.04Å; A406-F427 HydrophobicContact CB-CE1 3.83Å; A406-F427 HydrophobicContact CB-CE2 4.21Å; A406-F427 HydrophobicContact CB-CG 3.75Å; A406-F427 HydrophobicContact CB-CZ 4.11Å; F411-F427 HydrophobicContact CB-CB 3.8Å; F411-F427 HydrophobicContact CD1-CB 4.29Å; F411-F427 HydrophobicContact CG-CB 4.42Å; E412-F427 CarbonylContact O-C 3.53Å; E412-F427 VanDerWaalsContact O-CA 3.24Å; E412-F427 WeakPolarHBondContact O-CA 3.38Å; I417-F427 HydrophobicContact CD1-CE1 3.93Å; I417-F427 HydrophobicContact CD1-CZ 4.06Å; L425-F427 HydrophobicContact CB-CD2 4.44Å; L425-F427 HydrophobicContact CB-CE2 3.57Å; L425-F427 HydrophobicContact CB-CZ 3.99Å; L425-F427 HydrophobicContact CD1-CE2 4.46Å; L425-F427 HydrophobicContact CD1-CZ 4.41Å
428R93.8Very high85.4Confident98 Ų9876.8 Ų76.837%0.3736%0.355SS..EExtended strand (participates in β ladder)trans-120.5130.2-178.2178.1176.263.5-171.9-2.6109.8A377 E412 V414 K430A377-R428 CarbonylContact O-C 3.59Å; A377-R428 WeakPolarHBondContact O-CA 3.22Å; E412-R428 PolarHBondContact N-O 3.39Å; E412-R428 PolarHBondContact O-N 2.97Å; V414-R428 HydrophobicContact CG2-CB 3.55Å; R428-K430 HydrophobicContact CG-CG 4.27Å
429Y91.8Very high85Confident24 Ų2475.6 Ų75.69%0.09435%0.351CS..EExtended strand (participates in β ladder)trans-94.6134.8168.2176.8-100.5000109T370 L373 E376 A377 G410 F411 R431T370-Y429 HydrophobicContact CG2-CE2 3.98Å; L373-Y429 HydrophobicContact CB-CD1 4.04Å; L373-Y429 HydrophobicContact CB-CE1 4.11Å; L373-Y429 HydrophobicContact CD1-CD1 3.78Å; L373-Y429 HydrophobicContact CD1-CD2 4.11Å; L373-Y429 HydrophobicContact CD1-CE1 4.11Å; L373-Y429 HydrophobicContact CD1-CE2 4.43Å; L373-Y429 HydrophobicContact CD1-CG 3.79Å; E376-Y429 WeakPolarHBondContact CA-O 3.38Å; A377-Y429 HydrophobicContact CB-CD1 4.49Å; A377-Y429 PolarHBondContact N-O 2.94Å; A377-Y429 VanDerWaalsContact N-O 3.09Å; A377-Y429 PolarHBondContact O-N 3.24Å; G410-Y429 WeakPolarHBondContact O-CD2 3.38Å; F411-Y429 VanDerWaalsContact CE1-CB 3.46Å; F411-Y429 HydrophobicContact CE1-CG 4.5Å; Y429-R431 HydrophobicContact CE1-CB 4.08Å
430K87.9Confident84.8Confident95 Ų9578.7 Ų78.741%0.41336%0.362SS..EExtended strand (participates in β ladder)trans-127.9122.3169.7-71.6-166.3171.7-152.60109.2D375 E376 R428 I432D375-K430 WeakPolarHBondContact O-CA 3.48Å; E376-K430 HydrophobicContact CG-CG 4.44Å; E376-K430 WeakPolarHBondContact OE1-CE 3.49Å; E376-K430 IonicContact OE1-NZ 3.97Å; E376-K430 PolarHBondContact OE1-NZ 3.15Å; R428-K430 HydrophobicContact CG-CG 4.27Å; K430-I432 PolarHBondContact O-N 3.18Å
431R82.1Confident84.4Confident59 Ų5981.2 Ų81.222%0.22337%0.373CS..  trans-73.6118.6172.3-171173-73.7142.5-3.2109T370 L373 D375 Y429 L433T370-R431 PolarHBondContact O-NH2 3.27Å; L373-R431 PolarHBondContact O-NH2 3.42Å; L373-R431 VanDerWaalsContact O-NH2 3.14Å; D375-R431 HydrophobicContact CB-CB 4.41Å; D375-R431 PolarHBondContact O-N 3.04Å; D375-R431 IonicContact OD1-CZ 2.87Å; D375-R431 IonicContact OD1-NE 3.95Å; D375-R431 IonicContact OD1-NH1 2.75Å; D375-R431 PolarHBondContact OD1-NH1 2.96Å; Y429-R431 HydrophobicContact CE1-CB 4.08Å; R431-L433 PolarHBondContact O-N 3.33Å
432I75.3Confident84.2Confident147 Ų14781.7 Ų81.775%0.75437%0.374SS*.  trans-71.2102.6169.8-55.9171.4000106.6K430 Q434K430-I432 PolarHBondContact O-N 3.18Å; I432-Q434 PolarHBondContact O-N 3.4Å; I432-Q434 VanDerWaalsContact O-N 3.15Å
433L64.9Low83.7Confident144 Ų14487.2 Ų87.275%0.75440%0.398SS*.  trans-65.8108.5166.8-69.9160.8000107R431R431-L433 PolarHBondContact O-N 3.33Å
434Q43.5Very low83.1Confident256 Ų25687.5 Ų87.5100%1.19640%0.4SS*.  trans-80.40168.2-76.5-173.4-5.100111I432I432-Q434 PolarHBondContact O-N 3.4Å; I432-Q434 VanDerWaalsContact O-N 3.15Å

Retrieved 434 of 434 residues in 127.3 ms (Link to these results)

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