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Translation initiation factor eIF2 assembly protein

ATP-dependent protein-folding chaperone for the eIF2 complex. Binds to the gamma subunit of the eIF2 complex which allows the subunit to assemble with the alpha and beta subunits.

AlphaFold DB , UniProt , Accession X6RF82, Species HUMAN (Homo sapiens, Human), Gene CDC123, Length 183 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
1M88.9Confident93.1Very high121 Ų12176 Ų7660%0.59638%0.378SS*.  0157.50-177.4-179.6-75.100107.9H5 V6 H118 C119 T120M1-H5 HydrophobicContact CG-CB 4.12Å; M1-V6 HydrophobicContact SD-CG2 3.73Å; M1-H118 PolarHBondContact N-O 3Å; M1-C119 VanDerWaalsContact O-CA 3.31Å; M1-C119 WeakPolarHBondContact O-CA 3.33Å; M1-T120 PolarHBondContact N-OG1 3.35Å; M1-T120 PolarHBondContact O-N 3.14Å; M1-T120 PolarHBondContact O-OG1 3.22Å
2K94.1Very high93.3Very high114 Ų11473.5 Ų73.550%0.49637%0.373SS..  trans-95.1145.6171.5-67.3-171.6177.1-176.20110.3E4 H5 D121K2-E4 PolarHBondContact O-N 3.15Å; K2-H5 VanDerWaalsContact O-CB 3.3Å; K2-H5 WeakPolarHBondContact O-CB 3.3Å; K2-H5 PolarHBondContact O-N 3.2Å; K2-D121 VanDerWaalsContact CA-OD1 3.28Å; K2-D121 WeakPolarHBondContact CA-OD1 3.42Å
3K94Very high93.5Very high24 Ų2470.7 Ų70.710%0.10437%0.368CS..Hα-helixtrans-56.5-37.5176.4-65.1179.3-164.4179.70112.8H5 V6 L7 F116 C119 D121 S123 D125K3-H5 PolarHBondContact O-N 2.99Å; K3-V6 WeakPolarHBondContact O-CB 3.4Å; K3-V6 PolarHBondContact O-N 3.39Å; K3-V6 VanDerWaalsContact O-N 3.08Å; K3-L7 PolarHBondContact O-N 3Å; K3-F116 HydrophobicContact CB-CD1 3.87Å; K3-F116 HydrophobicContact CB-CE1 4.04Å; K3-F116 HydrophobicContact CD-CB 4.3Å; K3-F116 HydrophobicContact CD-CD1 4.31Å; K3-F116 HydrophobicContact CD-CG 4.16Å; K3-F116 HydrophobicContact CG-CB 4.15Å; K3-F116 HydrophobicContact CG-CD1 3.71Å; K3-F116 HydrophobicContact CG-CE1 4.35Å; K3-F116 HydrophobicContact CG-CG 3.99Å; K3-C119 HydrophobicContact CG-CB 3.56Å; K3-D121 WeakPolarHBondContact CE-O 3.35Å; K3-D121 PolarHBondContact N-OD1 2.95Å; K3-D121 PolarHBondContact N-OD2 3.26Å; K3-S123 PolarHBondContact NZ-O 3.08Å; K3-D125 VanDerWaalsContact CE-OD1 3.29Å; K3-D125 WeakPolarHBondContact CE-OD1 3.33Å; K3-D125 IonicContact NZ-OD1 2.66Å; K3-D125 PolarHBondContact NZ-OD1 2.93Å
4E94.1Very high93.7Very high108 Ų10871 Ų7151%0.50536%0.362SS..Hα-helixtrans-56.8-35.6173.4-175.8-178.1-176.200113K2 V6 L7 H8K2-E4 PolarHBondContact O-N 3.15Å; E4-V6 VanDerWaalsContact C-N 3.32Å; E4-V6 PolarHBondContact O-N 3.17Å; E4-L7 PolarHBondContact O-N 3.35Å; E4-H8 PolarHBondContact O-N 3.15Å; E4-H8 PolarHBondContact O-ND1 3.01Å; E4-H8 IonicContact OE1-CE1 2.9Å; E4-H8 PolarHBondContact OE1-CE1 3.47Å
5H93.1Very high93.8Very high94 Ų9467.2 Ų67.244%0.43534%0.342SS..Hα-helixtrans-66.8-35.7177.7-57.9168.9000111.7M1 K2 K3 H8 C9M1-H5 HydrophobicContact CG-CB 4.12Å; K2-H5 VanDerWaalsContact O-CB 3.3Å; K2-H5 WeakPolarHBondContact O-CB 3.3Å; K2-H5 PolarHBondContact O-N 3.2Å; K3-H5 PolarHBondContact O-N 2.99Å; H5-H8 PolarHBondContact O-N 2.91Å; H5-C9 PolarHBondContact O-N 3.14Å; H5-C9 PolarHBondContact O-SG 2.85Å; H5-C9 VanDerWaalsContact O-SG 3.4Å
6V92.4Very high94Very high38 Ų3868.3 Ų68.323%0.2336%0.355CS..Hα-helixtrans-63.9-45.2174.9179.30000110M1 K3 E4 H8 C9 Q10 F116M1-V6 HydrophobicContact SD-CG2 3.73Å; K3-V6 WeakPolarHBondContact O-CB 3.4Å; K3-V6 PolarHBondContact O-N 3.39Å; K3-V6 VanDerWaalsContact O-N 3.08Å; E4-V6 VanDerWaalsContact C-N 3.32Å; E4-V6 PolarHBondContact O-N 3.17Å; V6-H8 VanDerWaalsContact C-N 3.34Å; V6-H8 PolarHBondContact O-N 2.95Å; V6-C9 PolarHBondContact O-N 3.05Å; V6-C9 VanDerWaalsContact O-N 3.09Å; V6-Q10 PolarHBondContact O-N 2.98Å; V6-F116 HydrophobicContact CB-CD1 4.19Å; V6-F116 HydrophobicContact CB-CE1 3.96Å; V6-F116 HydrophobicContact CG1-CD1 4.31Å; V6-F116 HydrophobicContact CG1-CE1 3.98Å; V6-F116 HydrophobicContact CG2-CD1 4.23Å; V6-F116 HydrophobicContact CG2-CE1 4.5Å
7L93.4Very high94.1Very high51 Ų5174.1 Ų74.127%0.26738%0.377SS..Hα-helixtrans-60.9-40.9177.8-61.1-177.4000112.4K3 E4 C9 Q10 F116 P126 I128K3-L7 PolarHBondContact O-N 3Å; E4-L7 PolarHBondContact O-N 3.35Å; L7-C9 PolarHBondContact O-N 3.44Å; L7-Q10 VanDerWaalsContact CD2-NE2 3.33Å; L7-Q10 WeakPolarHBondContact O-CB 3.38Å; L7-Q10 WeakPolarHBondContact O-CG 3.34Å; L7-Q10 PolarHBondContact O-N 3.26Å; L7-F116 HydrophobicContact CD2-CE1 4.4Å; L7-F116 HydrophobicContact CD2-CZ 4.18Å; L7-P126 HydrophobicContact CD1-CB 4.14Å; L7-P126 HydrophobicContact CD1-CG 3.91Å; L7-P126 HydrophobicContact CD2-CG 4.08Å; L7-P126 HydrophobicContact CG-CG 4.29Å; L7-I128 HydrophobicContact CD2-CG1 4.21Å
8H94.1Very high94.2Very high113 Ų11376.3 Ų76.352%0.52338%0.384SS..Hα-helixtrans-68-19.1176.8-69.7153000114.1E4 H5 V6E4-H8 PolarHBondContact O-N 3.15Å; E4-H8 PolarHBondContact O-ND1 3.01Å; E4-H8 IonicContact OE1-CE1 2.9Å; E4-H8 PolarHBondContact OE1-CE1 3.47Å; H5-H8 PolarHBondContact O-N 2.91Å; V6-H8 VanDerWaalsContact C-N 3.34Å; V6-H8 PolarHBondContact O-N 2.95Å
9C92.6Very high94.2Very high96 Ų9680.9 Ų80.965%0.64940%0.396SS*.THydrogen-bonded Turntrans-88.4-3.4175.2-71.30000113.4H5 V6 L7 W14H5-C9 PolarHBondContact O-N 3.14Å; H5-C9 PolarHBondContact O-SG 2.85Å; H5-C9 VanDerWaalsContact O-SG 3.4Å; V6-C9 PolarHBondContact O-N 3.05Å; V6-C9 VanDerWaalsContact O-N 3.09Å; L7-C9 PolarHBondContact O-N 3.44Å; C9-W14 PolarHBondContact O-NE1 2.84Å
10Q93.1Very high94.3Very high51 Ų5180.9 Ų80.924%0.23842%0.418CS..SBendtrans-60.2146.1173.3-68.9-177.45.400111.1V6 L7 S12 A13 W14V6-Q10 PolarHBondContact O-N 2.98Å; L7-Q10 VanDerWaalsContact CD2-NE2 3.33Å; L7-Q10 WeakPolarHBondContact O-CB 3.38Å; L7-Q10 WeakPolarHBondContact O-CG 3.34Å; L7-Q10 PolarHBondContact O-N 3.26Å; Q10-S12 VanDerWaalsContact C-N 3.34Å; Q10-S12 PolarHBondContact O-N 2.94Å; Q10-A13 HydrophobicContact CB-CB 4.32Å; Q10-A13 WeakPolarHBondContact O-CB 3.47Å; Q10-A13 PolarHBondContact O-N 3.25Å; Q10-W14 PolarHBondContact O-N 2.82Å; Q10-W14 PolarHBondContact O-NE1 3.26Å
11F94.1Very high94.2Very high26 Ų2683.1 Ų83.111%0.11444%0.435CS..Hα-helixtrans-62.4-43-173.1-168.3-83.5000111.2A13 W14 Y15 S25 I27 E131 V133F11-A13 VanDerWaalsContact C-N 3.25Å; F11-A13 PolarHBondContact O-N 3.38Å; F11-W14 AromaticContact CD2-CH2 3.64Å; F11-W14 HydrophobicContact CD2-CH2 3.64Å; F11-W14 AromaticContact CD2-CZ2 3.21Å; F11-W14 HydrophobicContact CD2-CZ2 3.21Å; F11-W14 AromaticContact CE2-CH2 3.28Å; F11-W14 HydrophobicContact CE2-CH2 3.28Å; F11-W14 AromaticContact CE2-CZ2 3.42Å; F11-W14 HydrophobicContact CE2-CZ2 3.42Å; F11-W14 VanDerWaalsContact CE2-CZ2 3.42Å; F11-W14 HydrophobicContact CE2-CZ3 4.32Å; F11-W14 HydrophobicContact CG-CH2 4.45Å; F11-W14 AromaticContact CG-CZ2 3.97Å; F11-W14 HydrophobicContact CG-CZ2 3.97Å; F11-W14 AromaticContact CZ-CH2 3.86Å; F11-W14 HydrophobicContact CZ-CH2 3.86Å; F11-W14 HydrophobicContact CZ-CZ2 4.3Å; F11-W14 PolarHBondContact O-N 3.08Å; F11-Y15 HydrophobicContact CD1-CD2 4.36Å; F11-Y15 HydrophobicContact CD1-CG 4.06Å; F11-Y15 HydrophobicContact CE1-CD1 4.04Å; F11-Y15 AromaticContact CE1-CD2 3.34Å; F11-Y15 HydrophobicContact CE1-CD2 3.34Å; F11-Y15 HydrophobicContact CE1-CE2 4.02Å; F11-Y15 AromaticContact CE1-CG 3.36Å; F11-Y15 HydrophobicContact CE1-CG 3.36Å; F11-Y15 AromaticContact CZ-CD2 3.41Å; F11-Y15 HydrophobicContact CZ-CD2 3.41Å; F11-Y15 VanDerWaalsContact CZ-CD2 3.41Å; F11-Y15 AromaticContact CZ-CE2 3.97Å; F11-Y15 HydrophobicContact CZ-CE2 3.97Å; F11-Y15 AromaticContact CZ-CG 3.94Å; F11-Y15 HydrophobicContact CZ-CG 3.94Å; F11-Y15 WeakPolarHBondContact O-CB 3.47Å; F11-Y15 PolarHBondContact O-N 2.95Å; F11-S25 VanDerWaalsContact CZ-CB 3.45Å; F11-S25 WeakPolarHBondContact CZ-OG 3.49Å; F11-I27 HydrophobicContact CD1-CD1 3.6Å; F11-I27 HydrophobicContact CD1-CG1 3.73Å; F11-I27 HydrophobicContact CE1-CD1 3.93Å; F11-I27 HydrophobicContact CE1-CG1 3.9Å; F11-E131 WeakPolarHBondContact CA-OE1 3.02Å; F11-E131 VanDerWaalsContact CB-OE1 3.26Å; F11-E131 WeakPolarHBondContact CB-OE1 3.45Å; F11-E131 PolarHBondContact N-OE1 2.74Å; F11-V133 HydrophobicContact CB-CG2 3.75Å; F11-V133 HydrophobicContact CD1-CG1 3.68Å; F11-V133 HydrophobicContact CD1-CG2 3.94Å; F11-V133 HydrophobicContact CD2-CG1 3.79Å; F11-V133 HydrophobicContact CD2-CG2 4.47Å; F11-V133 HydrophobicContact CE1-CG1 3.69Å; F11-V133 HydrophobicContact CE2-CG1 3.8Å; F11-V133 HydrophobicContact CG-CB 4.41Å; F11-V133 HydrophobicContact CG-CG1 3.75Å; F11-V133 HydrophobicContact CG-CG2 3.81Å; F11-V133 HydrophobicContact CZ-CG1 3.77Å
12S95.5Very high94.4Very high46 Ų4679.1 Ų79.132%0.32242%0.417SS..Hα-helixtrans-62.6-26.4173.646.30000114.6Q10 P16 E131Q10-S12 VanDerWaalsContact C-N 3.34Å; Q10-S12 PolarHBondContact O-N 2.94Å; S12-P16 WeakPolarHBondContact O-CD 3.47Å; S12-P16 WeakPolarHBondContact O-CG 3.33Å; S12-E131 WeakPolarHBondContact CB-OE2 3.29Å; S12-E131 PolarHBondContact N-OE1 3.34Å; S12-E131 PolarHBondContact OG-OE1 2.93Å; S12-E131 PolarHBondContact OG-OE2 3.05Å
13A95.9Very high94.4Very high37 Ų3775.7 Ų75.731%0.30640%0.404SS..Hα-helixtrans-70.1-42178.900000111.9Q10 F11 F17Q10-A13 HydrophobicContact CB-CB 4.32Å; Q10-A13 WeakPolarHBondContact O-CB 3.47Å; Q10-A13 PolarHBondContact O-N 3.25Å; F11-A13 VanDerWaalsContact C-N 3.25Å; F11-A13 PolarHBondContact O-N 3.38Å; A13-F17 VanDerWaalsContact O-CD2 3.3Å; A13-F17 WeakPolarHBondContact O-CD2 3.33Å; A13-F17 WeakPolarHBondContact O-CE2 3.16Å
14W95.9Very high94.4Very high75 Ų7582 Ų8228%0.28443%0.431SS..Hα-helixtrans-102.1-28.3-175.863.1-103.1000114.4C9 Q10 F11 P16 F17 F18 T22C9-W14 PolarHBondContact O-NE1 2.84Å; Q10-W14 PolarHBondContact O-N 2.82Å; Q10-W14 PolarHBondContact O-NE1 3.26Å; F11-W14 AromaticContact CD2-CH2 3.64Å; F11-W14 HydrophobicContact CD2-CH2 3.64Å; F11-W14 AromaticContact CD2-CZ2 3.21Å; F11-W14 HydrophobicContact CD2-CZ2 3.21Å; F11-W14 AromaticContact CE2-CH2 3.28Å; F11-W14 HydrophobicContact CE2-CH2 3.28Å; F11-W14 AromaticContact CE2-CZ2 3.42Å; F11-W14 HydrophobicContact CE2-CZ2 3.42Å; F11-W14 VanDerWaalsContact CE2-CZ2 3.42Å; F11-W14 HydrophobicContact CE2-CZ3 4.32Å; F11-W14 HydrophobicContact CG-CH2 4.45Å; F11-W14 AromaticContact CG-CZ2 3.97Å; F11-W14 HydrophobicContact CG-CZ2 3.97Å; F11-W14 AromaticContact CZ-CH2 3.86Å; F11-W14 HydrophobicContact CZ-CH2 3.86Å; F11-W14 HydrophobicContact CZ-CZ2 4.3Å; F11-W14 PolarHBondContact O-N 3.08Å; W14-P16 VanDerWaalsContact C-CD 3.46Å; W14-F17 PolarHBondContact O-N 3.26Å; W14-F17 VanDerWaalsContact O-N 3.08Å; W14-F18 HydrophobicContact CB-CD2 4.05Å; W14-F18 HydrophobicContact CB-CE2 4.22Å; W14-F18 HydrophobicContact CE3-CB 4.33Å; W14-F18 HydrophobicContact CE3-CD2 4.17Å; W14-F18 VanDerWaalsContact O-CD2 3.27Å; W14-F18 WeakPolarHBondContact O-CD2 3.3Å; W14-F18 PolarHBondContact O-N 3.26Å; W14-T22 HydrophobicContact CZ3-CG2 4.27Å
15Y96.1Very high94.4Very high14 Ų1477.4 Ų77.46%0.05541%0.411CS..Hα-helixtrans-56-41.3-173.8179.2-104.7000114.7F11 F17 F18 R19 T22 S25 I27F11-Y15 HydrophobicContact CD1-CD2 4.36Å; F11-Y15 HydrophobicContact CD1-CG 4.06Å; F11-Y15 HydrophobicContact CE1-CD1 4.04Å; F11-Y15 AromaticContact CE1-CD2 3.34Å; F11-Y15 HydrophobicContact CE1-CD2 3.34Å; F11-Y15 HydrophobicContact CE1-CE2 4.02Å; F11-Y15 AromaticContact CE1-CG 3.36Å; F11-Y15 HydrophobicContact CE1-CG 3.36Å; F11-Y15 AromaticContact CZ-CD2 3.41Å; F11-Y15 HydrophobicContact CZ-CD2 3.41Å; F11-Y15 VanDerWaalsContact CZ-CD2 3.41Å; F11-Y15 AromaticContact CZ-CE2 3.97Å; F11-Y15 HydrophobicContact CZ-CE2 3.97Å; F11-Y15 AromaticContact CZ-CG 3.94Å; F11-Y15 HydrophobicContact CZ-CG 3.94Å; F11-Y15 WeakPolarHBondContact O-CB 3.47Å; F11-Y15 PolarHBondContact O-N 2.95Å; Y15-F17 PolarHBondContact O-N 3.15Å; Y15-F18 PolarHBondContact O-N 2.96Å; Y15-R19 HydrophobicContact CE1-CG 4.13Å; Y15-R19 HydrophobicContact CE2-CG 4.44Å; Y15-R19 WeakPolarHBondContact O-CA 3.42Å; Y15-R19 PolarHBondContact O-N 3.42Å; Y15-R19 PolarHBondContact OH-NE 3.44Å; Y15-T22 HydrophobicContact CD2-CG2 3.64Å; Y15-T22 HydrophobicContact CE2-CG2 3.49Å; Y15-T22 VanDerWaalsContact CE2-CG2 3.49Å; Y15-S25 PolarHBondContact OH-N 3.09Å; Y15-S25 VanDerWaalsContact OH-N 3.16Å; Y15-S25 PolarHBondContact OH-O 3.16Å; Y15-I27 HydrophobicContact CD1-CD1 3.85Å; Y15-I27 HydrophobicContact CG-CD1 4.3Å
16P96.7Very high94.5Very high85 Ų8576.8 Ų76.855%0.55241%0.414SS*.Hα-helixtrans-58.4-35177.8-25.836000113.5S12 W14S12-P16 WeakPolarHBondContact O-CD 3.47Å; S12-P16 WeakPolarHBondContact O-CG 3.33Å; W14-P16 VanDerWaalsContact C-CD 3.46Å
17F96.4Very high94.6Very high167 Ų16777.6 Ų77.673%0.73242%0.416SS*.Hα-helixtrans-77.1-34.4-179-58.2-76000112.4A13 W14 Y15A13-F17 VanDerWaalsContact O-CD2 3.3Å; A13-F17 WeakPolarHBondContact O-CD2 3.33Å; A13-F17 WeakPolarHBondContact O-CE2 3.16Å; W14-F17 PolarHBondContact O-N 3.26Å; W14-F17 VanDerWaalsContact O-N 3.08Å; Y15-F17 PolarHBondContact O-N 3.15Å
18F95.3Very high94.6Very high113 Ų11378.8 Ų78.850%0.49642%0.422SS..Hα-helixtrans-107.513.3-174.2-59.1-68.7000114W14 Y15 G20 V21 T22W14-F18 HydrophobicContact CB-CD2 4.05Å; W14-F18 HydrophobicContact CB-CE2 4.22Å; W14-F18 HydrophobicContact CE3-CB 4.33Å; W14-F18 HydrophobicContact CE3-CD2 4.17Å; W14-F18 VanDerWaalsContact O-CD2 3.27Å; W14-F18 WeakPolarHBondContact O-CD2 3.3Å; W14-F18 PolarHBondContact O-N 3.26Å; Y15-F18 PolarHBondContact O-N 2.96Å; F18-G20 PolarHBondContact O-N 3.05Å; F18-V21 HydrophobicContact CB-CG2 3.97Å; F18-V21 HydrophobicContact CD1-CG2 4.17Å; F18-V21 WeakPolarHBondContact O-CG2 3.27Å; F18-V21 PolarHBondContact O-N 3.46Å; F18-T22 VanDerWaalsContact O-CG2 3.24Å; F18-T22 WeakPolarHBondContact O-CG2 3.18Å; F18-T22 PolarHBondContact O-N 3.4Å; F18-T22 VanDerWaalsContact O-N 3.15Å
19R95Very high94.7Very high164 Ų16478.9 Ų78.962%0.61943%0.433SS*.THydrogen-bonded Turntrans-52.8-34-175.7-165177.5-150.6-168.59.5114Y15 V21Y15-R19 HydrophobicContact CE1-CG 4.13Å; Y15-R19 HydrophobicContact CE2-CG 4.44Å; Y15-R19 WeakPolarHBondContact O-CA 3.42Å; Y15-R19 PolarHBondContact O-N 3.42Å; Y15-R19 PolarHBondContact OH-NE 3.44Å; R19-V21 VanDerWaalsContact C-N 3.35Å
20G95.4Very high94.7Very high81 Ų8175.5 Ų75.584%0.83541%0.408SS*.THydrogen-bonded Turntrans-75-20-179.300000114.7F18F18-G20 PolarHBondContact O-N 3.05Å
21V92.8Very high94.8Very high127 Ų12776 Ų7677%0.7742%0.416SS*.THydrogen-bonded Turntrans-121.310.5-173.7-62.60000112.8F18 R19F18-V21 HydrophobicContact CB-CG2 3.97Å; F18-V21 HydrophobicContact CD1-CG2 4.17Å; F18-V21 WeakPolarHBondContact O-CG2 3.27Å; F18-V21 PolarHBondContact O-N 3.46Å; R19-V21 VanDerWaalsContact C-N 3.35Å
22T93.4Very high94.7Very high37 Ų3780.1 Ų80.123%0.22744%0.436CS..SBendtrans-124.4163.7179-166.30000111.3W14 Y15 F18 K24W14-T22 HydrophobicContact CZ3-CG2 4.27Å; Y15-T22 HydrophobicContact CD2-CG2 3.64Å; Y15-T22 HydrophobicContact CE2-CG2 3.49Å; Y15-T22 VanDerWaalsContact CE2-CG2 3.49Å; F18-T22 VanDerWaalsContact O-CG2 3.24Å; F18-T22 WeakPolarHBondContact O-CG2 3.18Å; F18-T22 PolarHBondContact O-N 3.4Å; F18-T22 VanDerWaalsContact O-N 3.15Å; T22-K24 PolarHBondContact O-N 3.34Å
23I93Very high94.6Very high43 Ų4383.4 Ų83.422%0.22145%0.45CS..  trans-61.6133176.3-66.3166.6000109.4S25 R135 K136 C138I23-S25 PolarHBondContact O-N 3.32Å; I23-S25 PolarHBondContact O-OG 3.41Å; I23-R135 HydrophobicContact CG2-CB 4.48Å; I23-K136 HydrophobicContact CG2-CB 4.16Å; I23-K136 VanDerWaalsContact CG2-O 3.24Å; I23-K136 WeakPolarHBondContact CG2-O 3.47Å; I23-C138 WeakPolarHBondContact CD1-SG 3.36Å
24K94.2Very high94.4Very high156 Ų15682.7 Ų82.768%0.67844%0.442SS*.  trans-54.1127.7176.7-69.5-173.2178.6-176.80110.1T22 K136T22-K24 PolarHBondContact O-N 3.34Å; K24-K136 HydrophobicContact CB-CB 4.36Å; K24-K136 VanDerWaalsContact O-CB 3.29Å; K24-K136 WeakPolarHBondContact O-CB 3.46Å; K24-K136 PolarHBondContact O-N 3.45Å
25S94.1Very high94.2Very high11 Ų1181.2 Ų81.28%0.07744%0.437CS..EExtended strand (participates in β ladder)trans-141.4153.3-172.7-55.50000110.4F11 Y15 I23 L134 R135F11-S25 VanDerWaalsContact CZ-CB 3.45Å; F11-S25 WeakPolarHBondContact CZ-OG 3.49Å; Y15-S25 PolarHBondContact OH-N 3.09Å; Y15-S25 VanDerWaalsContact OH-N 3.16Å; Y15-S25 PolarHBondContact OH-O 3.16Å; I23-S25 PolarHBondContact O-N 3.32Å; I23-S25 PolarHBondContact O-OG 3.41Å; S25-L134 CarbonylContact C-O 3.55Å; S25-L134 VanDerWaalsContact CA-O 3.28Å; S25-L134 WeakPolarHBondContact CA-O 3.24Å; S25-R135 WeakPolarHBondContact OG-CG 3.49Å
26V94.6Very high94Very high82 Ų8284.7 Ų84.750%0.49746%0.456SS..EExtended strand (participates in β ladder)trans-117135.1174.6-179.40000107.6L28 L134V26-L28 HydrophobicContact CG1-CD2 4Å; V26-L28 HydrophobicContact CG1-CG 4.12Å; V26-L134 PolarHBondContact N-O 3.49Å; V26-L134 PolarHBondContact O-N 3.19Å
27I95.1Very high93.7Very high54 Ų5484.1 Ų84.128%0.27744%0.444SS..EExtended strand (participates in β ladder)trans-114.6125179.2-51.6172.3000106.6F11 Y15 E131F11-I27 HydrophobicContact CD1-CD1 3.6Å; F11-I27 HydrophobicContact CD1-CG1 3.73Å; F11-I27 HydrophobicContact CE1-CD1 3.93Å; F11-I27 HydrophobicContact CE1-CG1 3.9Å; Y15-I27 HydrophobicContact CD1-CD1 3.85Å; Y15-I27 HydrophobicContact CG-CD1 4.3Å; I27-E131 HydrophobicContact CG2-CB 3.9Å; I27-E131 HydrophobicContact CG2-CG 4.41Å; I27-E131 VanDerWaalsContact CG2-OE2 3.25Å; I27-E131 WeakPolarHBondContact CG2-OE2 3.43Å
28L93.5Very high93.3Very high76 Ų7676.6 Ų76.640%0.39841%0.411SS..EExtended strand (participates in β ladder)trans-123.6137.8177.9-58.9173.5000108.7V26 L30 E131 L132V26-L28 HydrophobicContact CG1-CD2 4Å; V26-L28 HydrophobicContact CG1-CG 4.12Å; L28-L30 PolarHBondContact O-N 2.61Å; L28-E131 CarbonylContact O-C 3.55Å; L28-E131 WeakPolarHBondContact O-CA 3.37Å; L28-L132 HydrophobicContact CB-CB 4.34Å; L28-L132 HydrophobicContact CD1-CD2 4.38Å; L28-L132 PolarHBondContact N-O 3.01Å; L28-L132 PolarHBondContact O-N 3.08Å
29P95.3Very high93Very high115 Ų11574.6 Ų74.675%0.74741%0.405SS*.EExtended strand (participates in β ladder)trans-55.6132.9168-21.932.7000109.7P31P29-P31 WeakPolarHBondContact O-CD 3.47Å
30L94.3Very high92.8Very high25 Ų2571.2 Ų71.213%0.13140%0.399CS..PPolyproline II helixtrans-75.3116.1178.6-171.371.1000109.2L28 V34 K35 F112 Y130 L132L28-L30 PolarHBondContact O-N 2.61Å; L30-V34 HydrophobicContact CD1-CB 4.26Å; L30-V34 HydrophobicContact CD1-CG1 3.64Å; L30-V34 HydrophobicContact CG-CG1 4.37Å; L30-K35 HydrophobicContact CD2-CB 3.98Å; L30-K35 HydrophobicContact CD2-CG 4.49Å; L30-F112 HydrophobicContact CD2-CE1 3.55Å; L30-F112 HydrophobicContact CD2-CZ 3.51Å; L30-Y130 WeakPolarHBondContact CB-O 3.12Å; L30-Y130 PolarHBondContact N-O 3.2Å; L30-L132 HydrophobicContact CD1-CB 4.08Å
31P94.4Very high91.9Very high61 Ų6175.3 Ų75.340%0.39640%0.402SS..PPolyproline II helixtrans-62.7142.1178.3-22.635.6000111.2P29 N33 V34 K35P29-P31 WeakPolarHBondContact O-CD 3.47Å; P31-N33 VanDerWaalsContact C-N 3.28Å; P31-N33 WeakPolarHBondContact CB-OD1 3.01Å; P31-N33 PolarHBondContact O-N 3.43Å; P31-V34 HydrophobicContact CB-CB 4.37Å; P31-V34 HydrophobicContact CB-CG2 4.07Å; P31-V34 HydrophobicContact CG-CG2 4.12Å; P31-V34 WeakPolarHBondContact O-CA 3.34Å; P31-V34 WeakPolarHBondContact O-CB 3.15Å; P31-V34 PolarHBondContact O-N 3.33Å; P31-K35 PolarHBondContact O-N 3.37Å
32Q92.3Very high91Very high113 Ų11370.8 Ų70.853%0.52838%0.382SS..Hα-helixtrans-57.7-41.4-178.1-173.160.248.800112.2V34 K35 D36Q32-V34 PolarHBondContact O-N 2.89Å; Q32-K35 WeakPolarHBondContact O-CB 3.49Å; Q32-K35 PolarHBondContact O-N 3.45Å; Q32-K35 VanDerWaalsContact O-N 3.08Å; Q32-D36 PolarHBondContact NE2-OD1 3.43Å; Q32-D36 PolarHBondContact O-N 3.27Å
33N93.2Very high89.6Confident115 Ų11575.3 Ų75.362%0.61541%0.409SS*.Hα-helixtrans-63.1-27.4177.569.4-67.4000113.1P31 Y37P31-N33 VanDerWaalsContact C-N 3.28Å; P31-N33 WeakPolarHBondContact CB-OD1 3.01Å; P31-N33 PolarHBondContact O-N 3.43Å; N33-Y37 VanDerWaalsContact O-CB 3.27Å; N33-Y37 WeakPolarHBondContact O-CB 3.36Å; N33-Y37 PolarHBondContact O-N 2.99Å; N33-Y37 VanDerWaalsContact O-N 3.13Å
34V91.7Very high88.3Confident23 Ų2375 Ų7514%0.13941%0.408CS..Hα-helixtrans-75.3-43.4173.9171.50000109.9L30 P31 Q32 D36 Y37 L38 F99L30-V34 HydrophobicContact CD1-CB 4.26Å; L30-V34 HydrophobicContact CD1-CG1 3.64Å; L30-V34 HydrophobicContact CG-CG1 4.37Å; P31-V34 HydrophobicContact CB-CB 4.37Å; P31-V34 HydrophobicContact CB-CG2 4.07Å; P31-V34 HydrophobicContact CG-CG2 4.12Å; P31-V34 WeakPolarHBondContact O-CA 3.34Å; P31-V34 WeakPolarHBondContact O-CB 3.15Å; P31-V34 PolarHBondContact O-N 3.33Å; Q32-V34 PolarHBondContact O-N 2.89Å; V34-D36 PolarHBondContact O-N 2.81Å; V34-Y37 WeakPolarHBondContact O-CB 3.02Å; V34-Y37 PolarHBondContact O-N 2.91Å; V34-L38 HydrophobicContact CG1-CD1 4.1Å; V34-L38 HydrophobicContact CG1-CG 4.4Å; V34-L38 VanDerWaalsContact O-CG 3.29Å; V34-L38 WeakPolarHBondContact O-CG 3.22Å; V34-L38 PolarHBondContact O-N 3.24Å; V34-F99 HydrophobicContact CG1-CE1 3.91Å; V34-F99 HydrophobicContact CG1-CZ 4.49Å; V34-F99 HydrophobicContact CG2-CZ 4.41Å
35K91.1Very high86.6Confident44 Ų4473.6 Ų73.619%0.19141%0.412CS..Hα-helixtrans-58.1-47.9174.4-177.6177.9175.61780111.5L30 P31 Q32 Y37 L38 L39 F112 Y130L30-K35 HydrophobicContact CD2-CB 3.98Å; L30-K35 HydrophobicContact CD2-CG 4.49Å; P31-K35 PolarHBondContact O-N 3.37Å; Q32-K35 WeakPolarHBondContact O-CB 3.49Å; Q32-K35 PolarHBondContact O-N 3.45Å; Q32-K35 VanDerWaalsContact O-N 3.08Å; K35-Y37 VanDerWaalsContact C-N 3.29Å; K35-Y37 PolarHBondContact O-N 3.25Å; K35-L38 PolarHBondContact O-N 2.79Å; K35-L39 HydrophobicContact CG-CD1 4.12Å; K35-L39 PolarHBondContact O-N 3.14Å; K35-F112 HydrophobicContact CD-CD1 4.41Å; K35-F112 HydrophobicContact CG-CD1 4.23Å; K35-F112 HydrophobicContact CG-CE1 4.2Å; K35-Y130 HydrophobicContact CD-CD2 4.2Å
36D91.9Very high84.9Confident86 Ų8676.1 Ų76.146%0.4643%0.427SS..Hα-helixtrans-60-42.7177.8-59.9-22.7000110.8Q32 V34 L38 L39 D40Q32-D36 PolarHBondContact NE2-OD1 3.43Å; Q32-D36 PolarHBondContact O-N 3.27Å; V34-D36 PolarHBondContact O-N 2.81Å; D36-L38 PolarHBondContact O-N 2.89Å; D36-L39 PolarHBondContact O-N 2.85Å; D36-D40 PolarHBondContact O-N 2.85Å
37Y90.4Very high82.7Confident73 Ų7377.2 Ų77.229%0.28644%0.438SS..Hα-helixtrans-62.8-38.4176.2175.1-99.5000113.4N33 V34 K35 L44 F99 K103N33-Y37 VanDerWaalsContact O-CB 3.27Å; N33-Y37 WeakPolarHBondContact O-CB 3.36Å; N33-Y37 PolarHBondContact O-N 2.99Å; N33-Y37 VanDerWaalsContact O-N 3.13Å; V34-Y37 WeakPolarHBondContact O-CB 3.02Å; V34-Y37 PolarHBondContact O-N 2.91Å; K35-Y37 VanDerWaalsContact C-N 3.29Å; K35-Y37 PolarHBondContact O-N 3.25Å; Y37-L44 WeakPolarHBondContact OH-CD1 3.28Å; Y37-F99 AromaticContact CD1-CD1 3.75Å; Y37-F99 HydrophobicContact CD1-CD1 3.75Å; Y37-F99 AromaticContact CD1-CE1 3.91Å; Y37-F99 HydrophobicContact CD1-CE1 3.91Å; Y37-F99 HydrophobicContact CE1-CB 4.37Å; Y37-F99 AromaticContact CE1-CD1 3.63Å; Y37-F99 HydrophobicContact CE1-CD1 3.63Å; Y37-F99 HydrophobicContact CE1-CE1 4.2Å; Y37-F99 HydrophobicContact CE1-CG 4.22Å; Y37-K103 HydrophobicContact CD1-CD 4.39Å; Y37-K103 HydrophobicContact CE1-CD 3.63Å; Y37-K103 HydrophobicContact CE1-CG 4.08Å; Y37-K103 PolarHBondContact O-NZ 3.16Å
38L89.3Confident80.4Confident10 Ų1077.8 Ų77.85%0.05246%0.457CS..Hα-helixtrans-71.7-31.3178.8-68.8174.6000112.3V34 K35 D36 F99 F102 K103 F112V34-L38 HydrophobicContact CG1-CD1 4.1Å; V34-L38 HydrophobicContact CG1-CG 4.4Å; V34-L38 VanDerWaalsContact O-CG 3.29Å; V34-L38 WeakPolarHBondContact O-CG 3.22Å; V34-L38 PolarHBondContact O-N 3.24Å; K35-L38 PolarHBondContact O-N 2.79Å; D36-L38 PolarHBondContact O-N 2.89Å; L38-F99 HydrophobicContact CD2-CD1 4.3Å; L38-F102 HydrophobicContact CD1-CB 4.44Å; L38-F102 HydrophobicContact CD1-CD2 3.98Å; L38-F102 HydrophobicContact CD2-CB 3.57Å; L38-F102 HydrophobicContact CD2-CD2 4.46Å; L38-K103 HydrophobicContact CD2-CG 3.84Å; L38-F112 HydrophobicContact CB-CE2 3.89Å; L38-F112 HydrophobicContact CD1-CE2 3.72Å; L38-F112 HydrophobicContact CD1-CZ 3.88Å; L38-F112 HydrophobicContact CG-CE2 4.47Å
39L88.8Confident78.2Confident70 Ų7081.1 Ų81.137%0.36647%0.465SS..Hα-helixtrans-83.8-13.1177.7-74.1173.8000114.2K35 D36 F112 T113K35-L39 HydrophobicContact CG-CD1 4.12Å; K35-L39 PolarHBondContact O-N 3.14Å; D36-L39 PolarHBondContact O-N 2.85Å; L39-F112 HydrophobicContact CD1-CB 4.35Å; L39-F112 HydrophobicContact CD2-CB 3.68Å; L39-F112 HydrophobicContact CD2-CD2 4.14Å; L39-F112 HydrophobicContact CD2-CG 4.28Å; L39-F112 HydrophobicContact CG-CB 4.26Å; L39-F112 HydrophobicContact CG-CD2 4.29Å; L39-F112 HydrophobicContact CG-CG 4.48Å; L39-T113 HydrophobicContact CD2-CG2 3.86Å
40D89.4Confident75.4Confident93 Ų9383.6 Ų83.650%0.49747%0.471SS..SBendtrans-69136.5175.6179.465.3000110.9D36 G42 K103D36-D40 PolarHBondContact O-N 2.85Å; D40-G42 PolarHBondContact O-N 3.1Å; D40-G42 VanDerWaalsContact OD2-CA 3.28Å; D40-G42 WeakPolarHBondContact OD2-CA 3.42Å; D40-G42 PolarHBondContact OD2-N 3.18Å; D40-K103 WeakPolarHBondContact O-CE 3.47Å; D40-K103 PolarHBondContact O-NZ 2.88Å
41D76.5Confident72.9Confident168 Ų16888.9 Ų88.990%0.89850%0.5SS*.  trans-75-0.7179-69.5-34.3000113.1
42G73.9Confident70.1Confident32 Ų3290.8 Ų90.833%0.3351%0.512SS..  trans-66.3132.8178.800000112.9D40 K103D40-G42 PolarHBondContact O-N 3.1Å; D40-G42 VanDerWaalsContact OD2-CA 3.28Å; D40-G42 WeakPolarHBondContact OD2-CA 3.42Å; D40-G42 PolarHBondContact OD2-N 3.18Å; G42-K103 WeakPolarHBondContact O-CE 3.22Å; G42-K103 PolarHBondContact O-NZ 2.75Å
43T65.4Low67.5Low131 Ų13191.8 Ų91.880%0.80453%0.528SS*.  trans-63.2134.3174.1-46.20000110.8V45T43-V45 PolarHBondContact O-N 3.03Å; T43-V45 VanDerWaalsContact O-N 3.08Å
44L65.2Low65Low38 Ų3892.8 Ų92.820%0.19954%0.539CS..  trans-61.8112.5170.917973.5000109.3Y37 V46 F99 L100Y37-L44 WeakPolarHBondContact OH-CD1 3.28Å; L44-V46 HydrophobicContact CD2-CG2 3.58Å; L44-V46 HydrophobicContact CG-CG2 3.83Å; L44-V46 PolarHBondContact O-N 3.28Å; L44-V46 VanDerWaalsContact O-N 3.14Å; L44-F99 HydrophobicContact CD1-CB 4.47Å; L44-L100 HydrophobicContact CD2-CB 3.53Å; L44-L100 HydrophobicContact CD2-CD1 3.69Å; L44-L100 HydrophobicContact CD2-CG 4.18Å
45V58.9Low62.4Low125 Ų125101 Ų10176%0.75858%0.575SS**  trans-81.692.1170.4-176.30000107.9T43 S47T43-V45 PolarHBondContact O-N 3.03Å; T43-V45 VanDerWaalsContact O-N 3.08Å; V45-S47 PolarHBondContact O-N 3.46Å
46V58.7Low59.8Low64 Ų64104 Ų10439%0.38860%0.602SS.*  trans-74.1106.5167.3-173.60000106.5L44 G48L44-V46 HydrophobicContact CD2-CG2 3.58Å; L44-V46 HydrophobicContact CG-CG2 3.83Å; L44-V46 PolarHBondContact O-N 3.28Å; L44-V46 VanDerWaalsContact O-N 3.14Å; V46-G48 PolarHBondContact O-N 3.3Å
47S48.3Very low57Low106 Ų106108.7 Ų108.774%0.74162%0.621SS**PPolyproline II helixtrans-55118.3167.7-57.60000107.6V45 R49V45-S47 PolarHBondContact O-N 3.46Å; S47-R49 PolarHBondContact O-N 3.08Å
48G46.2Very low54.7Low66 Ų66110 Ų11068%0.6864%0.639SS**PPolyproline II helixtrans-47.1130-170.100000111.8V46 D50V46-G48 PolarHBondContact O-N 3.3Å; G48-D50 PolarHBondContact O-N 3.27Å
49R47Very low51.9Low146 Ų146117.6 Ų117.655%0.55168%0.679SS**PPolyproline II helixtrans-64.2122.8158.1-70.9179.2176.51515.9105.3S47 D51 D97S47-R49 PolarHBondContact O-N 3.08Å; R49-D51 PolarHBondContact O-N 2.92Å; R49-D97 IonicContact CZ-OD1 3.92Å; R49-D97 IonicContact NH2-OD1 2.97Å; R49-D97 PolarHBondContact NH2-OD1 3.04Å; R49-D97 IonicContact NH2-OD2 4Å
50D37.1Very low49.3Very low166 Ų166119.2 Ų119.289%0.88870%0.697SS**  trans-6681171.8-74.1-45.2000108.8G48G48-D50 PolarHBondContact O-N 3.27Å
51D41.6Very low47Very low136 Ų136122.3 Ų122.373%0.72771%0.713SS**PPolyproline II helixtrans-79.2128.6168.2-73.8-45.2000108.5R49R49-D51 PolarHBondContact O-N 2.92Å
52P35.7Very low45.2Very low102 Ų102121.6 Ų121.666%0.66271%0.709SS**PPolyproline II helixtrans-6314617724.5-31.8000110.9T54P52-T54 PolarHBondContact O-N 3.41Å; P52-T54 VanDerWaalsContact O-N 3.13Å
53P38.4Very low43.9Very low133 Ų133129.3 Ų129.386%0.86474%0.737SS**PPolyproline II helixtrans-66.3117.5-169.125.2-32.2000110.6
54T39.9Very low42.5Very low137 Ų137127.6 Ų127.684%0.8474%0.736SS**PPolyproline II helixtrans-96.7121.9168.1-40.10000107.6P52 S56P52-T54 PolarHBondContact O-N 3.41Å; P52-T54 VanDerWaalsContact O-N 3.13Å; T54-S56 PolarHBondContact O-N 3.44Å
55H37.4Very low41.3Very low194 Ų194134 Ų13490%0.89877%0.765SS**PPolyproline II helixtrans-49.5123.4-176.7-103.3-88000113.1
56S36.9Very low40.1Very low108 Ų108137.4 Ų137.476%0.75577%0.773SS**PPolyproline II helixtrans-77.8133.6168.847.60000111.9T54T54-S56 PolarHBondContact O-N 3.44Å
57Q33.1Very low39Very low184 Ų184139.7 Ų139.786%0.8678%0.782SS**  trans-126.3134.2152.4-79.5-106.6-108.700107.4
58P40.6Very low38.2Very low102 Ų102143.4 Ų143.466%0.66279%0.787SS**  trans-87.9146.7177.135.8-29.4000109.6
59D30.7Very low37.7Very low168 Ų168148.8 Ų148.890%0.89879%0.787SS**  trans-171.7145.5139.6-96.4-23.3000113.2
60S33.7Very low37.1Very low105 Ų105146 Ų14673%0.73479%0.79SS**  trans88110.9156.2-153.30000118.9
61D42.4Very low37.6Very low157 Ų157144.2 Ų144.284%0.8478%0.78SS**  trans-51.2132.1159-61.1-46.9000111.1
62D39.2Very low37.5Very low153 Ų153141.7 Ų141.782%0.81877%0.767SS**  trans-142.2122.7153.5-89.5-40.3000107.4A64D62-A64 PolarHBondContact O-N 3.17Å
63E45.2Very low38.3Very low195 Ų195142.8 Ų142.891%0.91176%0.763SS**  trans-57.5106.9174.5-74.7-165.3131.100109.4E65E63-E65 PolarHBondContact O-N 3.3Å; E63-E65 VanDerWaalsContact O-N 3.08Å
64A37.3Very low38.4Very low95 Ų95142.5 Ų142.579%0.78576%0.755SS**  trans-74.398167.800000107.9D62 E66D62-A64 PolarHBondContact O-N 3.17Å; A64-E66 PolarHBondContact O-N 3.4Å
65E38.2Very low38.5Very low172 Ų172139 Ų13980%0.80473%0.733SS**  trans-49.7122.5160.7-68.4-170.5162.400108.3E63 I67E63-E65 PolarHBondContact O-N 3.3Å; E63-E65 VanDerWaalsContact O-N 3.08Å; E65-I67 VanDerWaalsContact C-N 3.3Å; E65-I67 PolarHBondContact O-N 3.09Å
66E34.6Very low38.7Very low196 Ų196130.1 Ų130.192%0.91669%0.693SS**  trans-61.692.8173.1-78.7-175.1156.300108.9A64 Q68A64-E66 PolarHBondContact O-N 3.4Å; E66-Q68 PolarHBondContact O-N 3.27Å
67I35.5Very low39.5Very low113 Ų113128.9 Ų128.958%0.57968%0.681SS**  trans-73.197.9170.6-55.8176.9000107.2E65 W69E65-I67 VanDerWaalsContact C-N 3.3Å; E65-I67 PolarHBondContact O-N 3.09Å; I67-W69 HydrophobicContact CD1-CZ2 4.47Å; I67-W69 HydrophobicContact CG2-CD2 3.93Å; I67-W69 HydrophobicContact CG2-CG 4.16Å; I67-W69 HydrophobicContact CG2-CZ2 3.75Å; I67-W69 VanDerWaalsContact CG2-NE1 3.28Å; I67-W69 PolarHBondContact O-N 3.46Å
68Q32.5Very low40.4Very low183 Ų183121.6 Ų121.686%0.85565%0.648SS**  trans-67.394.6168.3-173178.73.100109.2E66 S70E66-Q68 PolarHBondContact O-N 3.27Å; Q68-S70 PolarHBondContact O-N 2.69Å
69W35.3Very low41.1Very low179 Ų179119.9 Ų119.968%0.67864%0.636SS**  trans-77.6112.9173.8-64.991.7000109.8I67 T164I67-W69 HydrophobicContact CD1-CZ2 4.47Å; I67-W69 HydrophobicContact CG2-CD2 3.93Å; I67-W69 HydrophobicContact CG2-CG 4.16Å; I67-W69 HydrophobicContact CG2-CZ2 3.75Å; I67-W69 VanDerWaalsContact CG2-NE1 3.28Å; I67-W69 PolarHBondContact O-N 3.46Å; W69-T164 HydrophobicContact CZ3-CG2 4.47Å
70S33.3Very low42.4Very low89 Ų89113.5 Ų113.562%0.62260%0.602SS**  trans-91.6125.9172.145.50000111.3Q68Q68-S70 PolarHBondContact O-N 2.69Å
71D47.9Very low43.4Very low127 Ų127108.5 Ų108.568%0.67957%0.567SS**  trans22.2121.1154.1-56.7-41.2000120.3
72D40.4Very low44Very low83 Ų83106.8 Ų106.844%0.44455%0.549SS..  trans-154.4110.4135.8-129.1-28.2000114.4N74 R147 R161D72-N74 PolarHBondContact O-N 2.94Å; D72-R147 IonicContact OD1-CZ 3.37Å; D72-R147 IonicContact OD1-NH1 3.65Å; D72-R147 PolarHBondContact OD1-NH1 3.38Å; D72-R147 IonicContact OD1-NH2 3.46Å; D72-R147 PolarHBondContact OD1-NH2 3.33Å; D72-R147 IonicContact OD2-CZ 2.61Å; D72-R147 IonicContact OD2-NH1 3.87Å; D72-R147 PolarHBondContact OD2-NH1 3.36Å; D72-R147 IonicContact OD2-NH2 3.96Å; D72-R161 PolarHBondContact O-NH2 3.09Å
73E51.3Low44.7Very low126 Ų126109.1 Ų109.159%0.58955%0.547SS*.THydrogen-bonded Turntrans-95.666.4-154.3-169.5-171.5154.600114F107E73-F107 HydrophobicContact CG-CE1 4.17Å
74N40.5Very low45.1Very low127 Ų127101.9 Ų101.968%0.67951%0.514SS*.THydrogen-bonded Turntrans-151.56167.8-153.431.3000116.3D72D72-N74 PolarHBondContact O-N 2.94Å
75T42Very low46.1Very low64 Ų6497.9 Ų97.939%0.39348%0.481SS..SBendtrans-128.518.4157.9-0.70000110T77 R161T75-T77 PolarHBondContact O-N 3.37Å; T75-R161 PolarHBondContact OG1-NE 3.34Å; T75-R161 PolarHBondContact OG1-NH2 3.35Å
76A41.8Very low46.5Very low7 Ų797.3 Ų97.36%0.05848%0.48CS..THydrogen-bonded Turntrans-94.57.8-15100000114.5L78 T79 F107A76-L78 PolarHBondContact O-N 3.05Å; A76-T79 WeakPolarHBondContact CA-OG1 3.42Å; A76-F107 HydrophobicContact CB-CD1 4.43Å; A76-F107 HydrophobicContact CB-CD2 4.25Å; A76-F107 HydrophobicContact CB-CE1 4.09Å; A76-F107 HydrophobicContact CB-CE2 3.87Å; A76-F107 HydrophobicContact CB-CZ 3.82Å; A76-F107 WeakPolarHBondContact O-CD2 3.28Å; A76-F107 WeakPolarHBondContact O-CE2 3.46Å; A76-F107 WeakPolarHBondContact O-CG 3.49Å
77T54.2Low47.5Very low81 Ų8192.5 Ų92.550%0.49746%0.461SS..THydrogen-bonded Turntrans-65.7-17.7-174.460.60000113.7T75 S105T75-T77 PolarHBondContact O-N 3.37Å; T77-S105 PolarHBondContact O-OG 3.44Å
78L50.9Low48.9Very low31 Ų3190.5 Ų90.516%0.16246%0.457CS..THydrogen-bonded Turntrans-1401-179.1-62.4172.7000114.2A76 D80 A81 L90 L101 F102 I108A76-L78 PolarHBondContact O-N 3.05Å; L78-D80 VanDerWaalsContact C-N 3.26Å; L78-D80 PolarHBondContact O-N 2.9Å; L78-A81 WeakPolarHBondContact O-CB 3.29Å; L78-A81 PolarHBondContact O-N 3.41Å; L78-L90 HydrophobicContact CB-CD1 4.33Å; L78-L90 HydrophobicContact CB-CD2 3.81Å; L78-L90 WeakPolarHBondContact O-CD2 3.45Å; L78-L101 HydrophobicContact CD2-CB 4.16Å; L78-F102 HydrophobicContact CD1-CE1 4.01Å; L78-F102 HydrophobicContact CD2-CD1 3.59Å; L78-F102 HydrophobicContact CD2-CE1 3.78Å; L78-F102 HydrophobicContact CG-CE1 4.46Å; L78-I108 HydrophobicContact CD2-CD1 3.41Å; L78-I108 VanDerWaalsContact CD2-CD1 3.41Å; L78-I108 HydrophobicContact CG-CD1 4.5Å
79T56.3Low50.6Low67 Ų6783 Ų8341%0.41142%0.424SS..THydrogen-bonded Turntrans-73.4-22.4-176.350.50000112.3A76 A81 Y82 L90A76-T79 WeakPolarHBondContact CA-OG1 3.42Å; T79-A81 VanDerWaalsContact C-N 3.32Å; T79-Y82 WeakPolarHBondContact O-CB 3.24Å; T79-Y82 PolarHBondContact O-N 2.93Å; T79-L90 HydrophobicContact CG2-CD1 4.35Å
80D57.8Low52.7Low34 Ų3477.1 Ų77.118%0.18241%0.406CS..G310 helixtrans-70-29.2169.760.6-17.8000112.4L78 Y82 W83 S105 D106 F107L78-D80 VanDerWaalsContact C-N 3.26Å; L78-D80 PolarHBondContact O-N 2.9Å; D80-Y82 PolarHBondContact O-N 2.87Å; D80-W83 PolarHBondContact O-NE1 2.89Å; D80-S105 VanDerWaalsContact CG-OG 3.29Å; D80-S105 WeakPolarHBondContact OD1-CB 3.3Å; D80-S105 PolarHBondContact OD1-OG 3.45Å; D80-S105 WeakPolarHBondContact OD2-CA 3.46Å; D80-S105 PolarHBondContact OD2-OG 3.42Å; D80-S105 VanDerWaalsContact OD2-OG 3.05Å; D80-D106 WeakPolarHBondContact OD2-CA 3.32Å; D80-D106 PolarHBondContact OD2-N 2.82Å; D80-F107 HydrophobicContact CB-CD2 3.83Å; D80-F107 HydrophobicContact CB-CE2 3.84Å; D80-F107 WeakPolarHBondContact OD2-CD2 3.46Å; D80-F107 PolarHBondContact OD2-N 2.88Å
81A53.9Low55.2Low0 Ų077 Ų770%039%0.394CS..G310 helixtrans-78.5-1.3174.100000113.7L78 T79 W83 I84 A85 L101 S104L78-A81 WeakPolarHBondContact O-CB 3.29Å; L78-A81 PolarHBondContact O-N 3.41Å; T79-A81 VanDerWaalsContact C-N 3.32Å; A81-W83 PolarHBondContact O-N 2.85Å; A81-I84 PolarHBondContact O-N 2.81Å; A81-A85 PolarHBondContact O-N 3.26Å; A81-L101 HydrophobicContact CB-CB 4.5Å; A81-L101 HydrophobicContact CB-CD2 4.07Å; A81-L101 WeakPolarHBondContact CB-O 3.44Å; A81-S104 WeakPolarHBondContact CB-OG 3.4Å
82Y55.5Low57Low120 Ų12073.2 Ų73.247%0.47138%0.377SS..G310 helixtrans-58.3-31.9-176.1-175.4-96.7000112.9T79 D80 I84 A85 S88T79-Y82 WeakPolarHBondContact O-CB 3.24Å; T79-Y82 PolarHBondContact O-N 2.93Å; D80-Y82 PolarHBondContact O-N 2.87Å; Y82-I84 VanDerWaalsContact C-N 3.3Å; Y82-I84 PolarHBondContact O-N 2.63Å; Y82-A85 WeakPolarHBondContact O-CB 3.47Å; Y82-A85 PolarHBondContact O-N 3.41Å; Y82-S88 VanDerWaalsContact CE2-C 3.43Å; Y82-S88 WeakPolarHBondContact CE2-O 3.39Å; Y82-S88 VanDerWaalsContact CZ-O 3.27Å; Y82-S88 WeakPolarHBondContact OH-CB 3.3Å; Y82-S88 PolarHBondContact OH-O 3.06Å; Y82-S88 VanDerWaalsContact OH-O 3.11Å
83W53.5Low59.2Low203 Ų20377.2 Ų77.277%0.76939%0.39SS*.G310 helixtrans-69.5-25.2178.470.5-92.3000113.4D80 A81D80-W83 PolarHBondContact O-NE1 2.89Å; A81-W83 PolarHBondContact O-N 2.85Å
84I55Low60.9Low43 Ų4373.8 Ų73.822%0.22138%0.378CS..THydrogen-bonded Turntrans-85.7-22.6177.3-56.8-144.2000111.6A81 Y82 M86 L100A81-I84 PolarHBondContact O-N 2.81Å; Y82-I84 VanDerWaalsContact C-N 3.3Å; Y82-I84 PolarHBondContact O-N 2.63Å; I84-M86 PolarHBondContact O-N 3.09Å; I84-L100 HydrophobicContact CG2-CD1 3.56Å; I84-L100 HydrophobicContact CG2-CD2 3.94Å; I84-L100 HydrophobicContact CG2-CG 3.64Å
85A56.8Low63.2Low10 Ų1073.7 Ų73.78%0.08338%0.377CS..  trans-61.3108.217800000109.8A81 Y82 N87 S88 S89 L101A81-A85 PolarHBondContact O-N 3.26Å; Y82-A85 WeakPolarHBondContact O-CB 3.47Å; Y82-A85 PolarHBondContact O-N 3.41Å; A85-N87 PolarHBondContact O-N 2.86Å; A85-S88 PolarHBondContact O-N 3.45Å; A85-S89 WeakPolarHBondContact CB-O 3.35Å; A85-L101 HydrophobicContact CB-CD2 4.01Å
86M48Very low65.3Low160 Ų16073.8 Ų73.879%0.78838%0.38SS*.THydrogen-bonded Turntrans-56.5-12.1-175.6-70.8-178.2168.500115I84I84-M86 PolarHBondContact O-N 3.09Å
87N55.6Low67.4Low96 Ų9675 Ų7551%0.51339%0.386SS..THydrogen-bonded Turntrans-125.318176.965.8-11.1000113A85 S89A85-N87 PolarHBondContact O-N 2.86Å; N87-S89 PolarHBondContact O-N 3.35Å; N87-S89 VanDerWaalsContact OD1-CB 3.29Å; N87-S89 WeakPolarHBondContact OD1-CB 3.39Å; N87-S89 PolarHBondContact OD1-N 3Å; N87-S89 PolarHBondContact OD1-O 3.4Å
88S63.6Low69Low71 Ų7172.2 Ų72.250%0.49737%0.367SS..SBendtrans50.143.1-176.7-48.40000111.8Y82 A85Y82-S88 VanDerWaalsContact CE2-C 3.43Å; Y82-S88 WeakPolarHBondContact CE2-O 3.39Å; Y82-S88 VanDerWaalsContact CZ-O 3.27Å; Y82-S88 WeakPolarHBondContact OH-CB 3.3Å; Y82-S88 PolarHBondContact OH-O 3.06Å; Y82-S88 VanDerWaalsContact OH-O 3.11Å; A85-S88 PolarHBondContact O-N 3.45Å
89S70.1Confident70.7Confident24 Ų2473.5 Ų73.517%0.16837%0.372CS..  trans-143.5136.9-175.9-170.30000111.2A85 N87 K91 W137A85-S89 WeakPolarHBondContact CB-O 3.35Å; N87-S89 PolarHBondContact O-N 3.35Å; N87-S89 VanDerWaalsContact OD1-CB 3.29Å; N87-S89 WeakPolarHBondContact OD1-CB 3.39Å; N87-S89 PolarHBondContact OD1-N 3Å; N87-S89 PolarHBondContact OD1-O 3.4Å; S89-K91 PolarHBondContact O-N 2.96Å; S89-K91 VanDerWaalsContact O-N 3.14Å; S89-K91 VanDerWaalsContact OG-CB 3.3Å; S89-K91 WeakPolarHBondContact OG-CB 2.98Å; S89-K91 PolarHBondContact OG-N 3.37Å; S89-W137 WeakPolarHBondContact OG-CH2 3.27Å
90L79.3Confident72.1Confident57 Ų5772 Ų7230%0.29836%0.361SS..  trans-75.69170.5-58.8178.8000112.7L78 T79 C92 L101 W137L78-L90 HydrophobicContact CB-CD1 4.33Å; L78-L90 HydrophobicContact CB-CD2 3.81Å; L78-L90 WeakPolarHBondContact O-CD2 3.45Å; T79-L90 HydrophobicContact CG2-CD1 4.35Å; L90-C92 PolarHBondContact O-N 3.45Å; L90-L101 HydrophobicContact CD2-CD1 4.3Å; L90-L101 HydrophobicContact CD2-CD2 4.37Å; L90-W137 HydrophobicContact CB-CZ3 4.08Å
91K84.3Confident73.4Confident86 Ų8670.7 Ų70.737%0.37435%0.354SS..  trans-79100.8179.6-172.8179.5-174.8170.50110.8S89 W137S89-K91 PolarHBondContact O-N 2.96Å; S89-K91 VanDerWaalsContact O-N 3.14Å; S89-K91 VanDerWaalsContact OG-CB 3.3Å; S89-K91 WeakPolarHBondContact OG-CB 2.98Å; S89-K91 PolarHBondContact OG-N 3.37Å; K91-W137 HydrophobicContact CB-CD2 3.67Å; K91-W137 HydrophobicContact CB-CE3 3.63Å; K91-W137 HydrophobicContact CB-CG 4.39Å; K91-W137 HydrophobicContact CB-CH2 3.89Å; K91-W137 HydrophobicContact CB-CZ2 3.93Å; K91-W137 HydrophobicContact CB-CZ3 3.74Å; K91-W137 HydrophobicContact CD-CD2 4.02Å; K91-W137 HydrophobicContact CD-CG 4.04Å; K91-W137 HydrophobicContact CD-CZ2 4.48Å; K91-W137 HydrophobicContact CG-CD2 3.69Å; K91-W137 HydrophobicContact CG-CE3 4.05Å; K91-W137 HydrophobicContact CG-CG 3.87Å; K91-W137 VanDerWaalsContact N-CZ3 3.33Å
92C85.7Confident75Confident47 Ų4772.4 Ų72.432%0.31836%0.362SS..  trans-81134.8170.7-57.20000111.6L90 D97 I98 L101L90-C92 PolarHBondContact O-N 3.45Å; C92-D97 HydrophobicContact CB-CB 3.9Å; C92-I98 HydrophobicContact CB-CD1 4.46Å; C92-I98 HydrophobicContact CB-CG1 3.6Å; C92-L101 WeakPolarHBondContact SG-CD1 3.25Å
93K86.9Confident76.4Confident167 Ų16768.8 Ų68.873%0.72635%0.348SS*.SBendtrans-109.7-21171-64.7179.7-176.3173.40112.1D97K93-D97 PolarHBondContact N-OD2 3.37Å
94T88.3Confident77.9Confident55 Ų5560 Ų6034%0.33732%0.318SS..SBendtrans-131.9161.5-176.567.80000110.8S96 D97 I98T94-S96 PolarHBondContact O-N 3.25Å; T94-D97 PolarHBondContact N-OD2 2.96Å; T94-D97 PolarHBondContact O-N 3.2Å; T94-D97 PolarHBondContact OG1-N 2.77Å; T94-D97 PolarHBondContact OG1-OD1 2.87Å; T94-D97 PolarHBondContact OG1-OD2 2.83Å; T94-I98 PolarHBondContact O-N 2.65Å
95L87.1Confident79.4Confident125 Ų12558 Ų5865%0.65431%0.308SS*.Hα-helixtrans-60.6-37172.6-68.8175.1000111.5D97 I98 F99L95-D97 VanDerWaalsContact C-N 3.29Å; L95-D97 PolarHBondContact O-N 2.88Å; L95-I98 HydrophobicContact CD2-CD1 4.29Å; L95-I98 WeakPolarHBondContact O-CB 3.26Å; L95-I98 PolarHBondContact O-N 3.21Å; L95-I98 VanDerWaalsContact O-N 3.08Å; L95-F99 HydrophobicContact CB-CD2 4.39Å; L95-F99 HydrophobicContact CB-CE2 4.29Å; L95-F99 WeakPolarHBondContact O-CD2 3.44Å; L95-F99 PolarHBondContact O-N 3.46Å
96S86.7Confident80.7Confident66 Ų6662.5 Ų62.546%0.46233%0.331SS..Hα-helixtrans-59.5-38.9176.9-56.40000112.3T94 I98 F99 L100T94-S96 PolarHBondContact O-N 3.25Å; S96-I98 VanDerWaalsContact C-N 3.3Å; S96-I98 PolarHBondContact O-N 3.14Å; S96-F99 PolarHBondContact O-N 3.15Å; S96-L100 VanDerWaalsContact O-CB 3.31Å; S96-L100 WeakPolarHBondContact O-CB 3.46Å; S96-L100 PolarHBondContact O-N 2.66Å
97D85.7Confident82.4Confident31 Ų3156.2 Ų56.217%0.16630%0.299CS..Hα-helixtrans-63.4-39.1175.8-49.5-37.9000110.7R49 C92 K93 T94 L95 L101R49-D97 IonicContact CZ-OD1 3.92Å; R49-D97 IonicContact NH2-OD1 2.97Å; R49-D97 PolarHBondContact NH2-OD1 3.04Å; R49-D97 IonicContact NH2-OD2 4Å; C92-D97 HydrophobicContact CB-CB 3.9Å; K93-D97 PolarHBondContact N-OD2 3.37Å; T94-D97 PolarHBondContact N-OD2 2.96Å; T94-D97 PolarHBondContact O-N 3.2Å; T94-D97 PolarHBondContact OG1-N 2.77Å; T94-D97 PolarHBondContact OG1-OD1 2.87Å; T94-D97 PolarHBondContact OG1-OD2 2.83Å; L95-D97 VanDerWaalsContact C-N 3.29Å; L95-D97 PolarHBondContact O-N 2.88Å; D97-L101 WeakPolarHBondContact O-CG 3.12Å; D97-L101 PolarHBondContact O-N 3.34Å; D97-L101 VanDerWaalsContact O-N 3.09Å
98I87.4Confident83.9Confident23 Ų2352.3 Ų52.312%0.11828%0.278CS..Hα-helixtrans-64.6-50.4176.8-58.6172.7000110.4C92 T94 L95 S96 L100 L101 F102 L134C92-I98 HydrophobicContact CB-CD1 4.46Å; C92-I98 HydrophobicContact CB-CG1 3.6Å; T94-I98 PolarHBondContact O-N 2.65Å; L95-I98 HydrophobicContact CD2-CD1 4.29Å; L95-I98 WeakPolarHBondContact O-CB 3.26Å; L95-I98 PolarHBondContact O-N 3.21Å; L95-I98 VanDerWaalsContact O-N 3.08Å; S96-I98 VanDerWaalsContact C-N 3.3Å; S96-I98 PolarHBondContact O-N 3.14Å; I98-L100 VanDerWaalsContact C-N 3.3Å; I98-L100 PolarHBondContact O-N 2.69Å; I98-L101 PolarHBondContact O-N 3.28Å; I98-F102 HydrophobicContact CG2-CD1 3.97Å; I98-F102 HydrophobicContact CG2-CD2 4.28Å; I98-F102 HydrophobicContact CG2-CE1 3.76Å; I98-F102 HydrophobicContact CG2-CE2 4.11Å; I98-F102 HydrophobicContact CG2-CG 4.24Å; I98-F102 HydrophobicContact CG2-CZ 3.84Å; I98-F102 WeakPolarHBondContact O-CB 3.42Å; I98-F102 WeakPolarHBondContact O-CD1 3.31Å; I98-F102 WeakPolarHBondContact O-CG 3.28Å; I98-F102 PolarHBondContact O-N 3.22Å; I98-L134 HydrophobicContact CD1-CD2 3.92Å
99F87.6Confident85.1Confident59 Ų5951.4 Ų51.426%0.25927%0.269SS..Hα-helixtrans-61.3-39.6179.3-77.3-68.4000112.4V34 Y37 L38 L44 L95 S96 F102 K103V34-F99 HydrophobicContact CG1-CE1 3.91Å; V34-F99 HydrophobicContact CG1-CZ 4.49Å; V34-F99 HydrophobicContact CG2-CZ 4.41Å; Y37-F99 AromaticContact CD1-CD1 3.75Å; Y37-F99 HydrophobicContact CD1-CD1 3.75Å; Y37-F99 AromaticContact CD1-CE1 3.91Å; Y37-F99 HydrophobicContact CD1-CE1 3.91Å; Y37-F99 HydrophobicContact CE1-CB 4.37Å; Y37-F99 AromaticContact CE1-CD1 3.63Å; Y37-F99 HydrophobicContact CE1-CD1 3.63Å; Y37-F99 HydrophobicContact CE1-CE1 4.2Å; Y37-F99 HydrophobicContact CE1-CG 4.22Å; L38-F99 HydrophobicContact CD2-CD1 4.3Å; L44-F99 HydrophobicContact CD1-CB 4.47Å; L95-F99 HydrophobicContact CB-CD2 4.39Å; L95-F99 HydrophobicContact CB-CE2 4.29Å; L95-F99 WeakPolarHBondContact O-CD2 3.44Å; L95-F99 PolarHBondContact O-N 3.46Å; S96-F99 PolarHBondContact O-N 3.15Å; F99-F102 PolarHBondContact O-N 2.89Å; F99-K103 WeakPolarHBondContact O-CB 3.39Å; F99-K103 WeakPolarHBondContact O-CG 3.2Å; F99-K103 PolarHBondContact O-N 3.49Å
100L84.6Confident85.9Confident35 Ų3555 Ų5518%0.18328%0.279CS..Hα-helixtrans-60-52.6176.6-178.864.5000110.9L44 I84 S96 I98 F102 K103 S104L44-L100 HydrophobicContact CD2-CB 3.53Å; L44-L100 HydrophobicContact CD2-CD1 3.69Å; L44-L100 HydrophobicContact CD2-CG 4.18Å; I84-L100 HydrophobicContact CG2-CD1 3.56Å; I84-L100 HydrophobicContact CG2-CD2 3.94Å; I84-L100 HydrophobicContact CG2-CG 3.64Å; S96-L100 VanDerWaalsContact O-CB 3.31Å; S96-L100 WeakPolarHBondContact O-CB 3.46Å; S96-L100 PolarHBondContact O-N 2.66Å; I98-L100 VanDerWaalsContact C-N 3.3Å; I98-L100 PolarHBondContact O-N 2.69Å; L100-F102 VanDerWaalsContact C-N 3.27Å; L100-F102 PolarHBondContact O-N 3.08Å; L100-K103 PolarHBondContact O-N 3.43Å; L100-S104 WeakPolarHBondContact O-CB 3.41Å; L100-S104 PolarHBondContact O-N 2.99Å; L100-S104 VanDerWaalsContact O-N 3.14Å; L100-S104 PolarHBondContact O-OG 3.46Å
101L85.3Confident86.3Confident7 Ų756 Ų564%0.03729%0.285CS..Hα-helixtrans-61.3-37.9178.4-70179.1000112.2L78 A81 A85 L90 C92 D97 I98 S104 S105L78-L101 HydrophobicContact CD2-CB 4.16Å; A81-L101 HydrophobicContact CB-CB 4.5Å; A81-L101 HydrophobicContact CB-CD2 4.07Å; A81-L101 WeakPolarHBondContact CB-O 3.44Å; A85-L101 HydrophobicContact CB-CD2 4.01Å; L90-L101 HydrophobicContact CD2-CD1 4.3Å; L90-L101 HydrophobicContact CD2-CD2 4.37Å; C92-L101 WeakPolarHBondContact SG-CD1 3.25Å; D97-L101 WeakPolarHBondContact O-CG 3.12Å; D97-L101 PolarHBondContact O-N 3.34Å; D97-L101 VanDerWaalsContact O-N 3.09Å; I98-L101 PolarHBondContact O-N 3.28Å; L101-S104 WeakPolarHBondContact CA-OG 3.41Å; L101-S104 PolarHBondContact O-N 3.37Å; L101-S104 PolarHBondContact O-OG 3.05Å; L101-S104 VanDerWaalsContact O-OG 3.1Å; L101-S105 PolarHBondContact O-N 3.43Å
102F87.4Confident86.5Confident35 Ų3553.2 Ų53.215%0.15427%0.273CS..Hα-helixtrans-71.7-43-177-78.725.9000111.6L38 L78 I98 F99 L100 S104 S105 I108 L132L38-F102 HydrophobicContact CD1-CB 4.44Å; L38-F102 HydrophobicContact CD1-CD2 3.98Å; L38-F102 HydrophobicContact CD2-CB 3.57Å; L38-F102 HydrophobicContact CD2-CD2 4.46Å; L78-F102 HydrophobicContact CD1-CE1 4.01Å; L78-F102 HydrophobicContact CD2-CD1 3.59Å; L78-F102 HydrophobicContact CD2-CE1 3.78Å; L78-F102 HydrophobicContact CG-CE1 4.46Å; I98-F102 HydrophobicContact CG2-CD1 3.97Å; I98-F102 HydrophobicContact CG2-CD2 4.28Å; I98-F102 HydrophobicContact CG2-CE1 3.76Å; I98-F102 HydrophobicContact CG2-CE2 4.11Å; I98-F102 HydrophobicContact CG2-CG 4.24Å; I98-F102 HydrophobicContact CG2-CZ 3.84Å; I98-F102 WeakPolarHBondContact O-CB 3.42Å; I98-F102 WeakPolarHBondContact O-CD1 3.31Å; I98-F102 WeakPolarHBondContact O-CG 3.28Å; I98-F102 PolarHBondContact O-N 3.22Å; F99-F102 PolarHBondContact O-N 2.89Å; L100-F102 VanDerWaalsContact C-N 3.27Å; L100-F102 PolarHBondContact O-N 3.08Å; F102-S104 PolarHBondContact O-N 3.04Å; F102-S105 PolarHBondContact O-N 3.18Å; F102-I108 HydrophobicContact CB-CD1 3.92Å; F102-I108 HydrophobicContact CD1-CD1 3.61Å; F102-I108 HydrophobicContact CD2-CD1 4.07Å; F102-I108 HydrophobicContact CE1-CD1 4.06Å; F102-I108 HydrophobicContact CE2-CD1 4.46Å; F102-I108 HydrophobicContact CG-CD1 3.61Å; F102-I108 HydrophobicContact CZ-CD1 4.46Å; F102-L132 HydrophobicContact CE2-CD1 3.38Å; F102-L132 HydrophobicContact CZ-CD1 3.58Å
103K86.6Confident86.8Confident44 Ų4454.5 Ų54.519%0.19128%0.28CS..Hα-helixtrans-68.6-22.8177.1-72.7-145.572.8142.60113.4Y37 L38 D40 G42 F99 L100Y37-K103 HydrophobicContact CD1-CD 4.39Å; Y37-K103 HydrophobicContact CE1-CD 3.63Å; Y37-K103 HydrophobicContact CE1-CG 4.08Å; Y37-K103 PolarHBondContact O-NZ 3.16Å; L38-K103 HydrophobicContact CD2-CG 3.84Å; D40-K103 WeakPolarHBondContact O-CE 3.47Å; D40-K103 PolarHBondContact O-NZ 2.88Å; G42-K103 WeakPolarHBondContact O-CE 3.22Å; G42-K103 PolarHBondContact O-NZ 2.75Å; F99-K103 WeakPolarHBondContact O-CB 3.39Å; F99-K103 WeakPolarHBondContact O-CG 3.2Å; F99-K103 PolarHBondContact O-N 3.49Å; L100-K103 PolarHBondContact O-N 3.43Å
104S84.2Confident87Confident19 Ų1951.3 Ų51.313%0.13327%0.267CS..THydrogen-bonded Turntrans-94.94.5179.966.50000114.2A81 L100 L101 F102A81-S104 WeakPolarHBondContact CB-OG 3.4Å; L100-S104 WeakPolarHBondContact O-CB 3.41Å; L100-S104 PolarHBondContact O-N 2.99Å; L100-S104 VanDerWaalsContact O-N 3.14Å; L100-S104 PolarHBondContact O-OG 3.46Å; L101-S104 WeakPolarHBondContact CA-OG 3.41Å; L101-S104 PolarHBondContact O-N 3.37Å; L101-S104 PolarHBondContact O-OG 3.05Å; L101-S104 VanDerWaalsContact O-OG 3.1Å; F102-S104 PolarHBondContact O-N 3.04Å
105S86.3Confident87.1Confident1 Ų150.5 Ų50.51%0.00726%0.263CS..  trans-102.1119-179.7-179.80000110.8T77 D80 L101 F102 F107 I108 T109T77-S105 PolarHBondContact O-OG 3.44Å; D80-S105 VanDerWaalsContact CG-OG 3.29Å; D80-S105 WeakPolarHBondContact OD1-CB 3.3Å; D80-S105 PolarHBondContact OD1-OG 3.45Å; D80-S105 WeakPolarHBondContact OD2-CA 3.46Å; D80-S105 PolarHBondContact OD2-OG 3.42Å; D80-S105 VanDerWaalsContact OD2-OG 3.05Å; L101-S105 PolarHBondContact O-N 3.43Å; F102-S105 PolarHBondContact O-N 3.18Å; S105-F107 VanDerWaalsContact C-N 3.27Å; S105-F107 PolarHBondContact OG-N 3.08Å; S105-I108 PolarHBondContact O-N 3.42Å; S105-I108 PolarHBondContact OG-N 3.38Å; S105-T109 PolarHBondContact O-N 3.11Å; S105-T109 PolarHBondContact O-OG1 3.36Å; S105-T109 VanDerWaalsContact O-OG1 3.08Å
106D83.1Confident87.4Confident105 Ų10545.3 Ų45.356%0.56124%0.235SC*.Hα-helixtrans-68-31170.3-69.3-24.3000110.9D80 T109 R110D80-D106 WeakPolarHBondContact OD2-CA 3.32Å; D80-D106 PolarHBondContact OD2-N 2.82Å; D106-T109 PolarHBondContact O-N 2.87Å; D106-R110 WeakPolarHBondContact O-CB 3.33Å; D106-R110 WeakPolarHBondContact O-CG 3.29Å; D106-R110 PolarHBondContact O-N 2.76Å
107F84.9Confident87.6Confident27 Ų2746.8 Ų46.812%0.11824%0.237CC..Hα-helixtrans-61.3-47.1174.3-71.9-74.4000111.5E73 A76 D80 S105 T109 R110 D111E73-F107 HydrophobicContact CG-CE1 4.17Å; A76-F107 HydrophobicContact CB-CD1 4.43Å; A76-F107 HydrophobicContact CB-CD2 4.25Å; A76-F107 HydrophobicContact CB-CE1 4.09Å; A76-F107 HydrophobicContact CB-CE2 3.87Å; A76-F107 HydrophobicContact CB-CZ 3.82Å; A76-F107 WeakPolarHBondContact O-CD2 3.28Å; A76-F107 WeakPolarHBondContact O-CE2 3.46Å; A76-F107 WeakPolarHBondContact O-CG 3.49Å; D80-F107 HydrophobicContact CB-CD2 3.83Å; D80-F107 HydrophobicContact CB-CE2 3.84Å; D80-F107 WeakPolarHBondContact OD2-CD2 3.46Å; D80-F107 PolarHBondContact OD2-N 2.88Å; S105-F107 VanDerWaalsContact C-N 3.27Å; S105-F107 PolarHBondContact OG-N 3.08Å; F107-T109 VanDerWaalsContact C-N 3.31Å; F107-T109 PolarHBondContact O-N 3.25Å; F107-R110 PolarHBondContact O-N 3.22Å; F107-D111 PolarHBondContact O-N 3.05Å
108I87.2Confident87.8Confident14 Ų1451.2 Ų51.27%0.07226%0.256CS..Hα-helixtrans-62.7-41.3176.8-73.7173.5000111.1L78 F102 S105 R110 D111 F112L78-I108 HydrophobicContact CD2-CD1 3.41Å; L78-I108 VanDerWaalsContact CD2-CD1 3.41Å; L78-I108 HydrophobicContact CG-CD1 4.5Å; F102-I108 HydrophobicContact CB-CD1 3.92Å; F102-I108 HydrophobicContact CD1-CD1 3.61Å; F102-I108 HydrophobicContact CD2-CD1 4.07Å; F102-I108 HydrophobicContact CE1-CD1 4.06Å; F102-I108 HydrophobicContact CE2-CD1 4.46Å; F102-I108 HydrophobicContact CG-CD1 3.61Å; F102-I108 HydrophobicContact CZ-CD1 4.46Å; S105-I108 PolarHBondContact O-N 3.42Å; S105-I108 PolarHBondContact OG-N 3.38Å; I108-R110 VanDerWaalsContact C-N 3.33Å; I108-R110 PolarHBondContact O-N 3.24Å; I108-D111 PolarHBondContact O-N 3.19Å; I108-F112 HydrophobicContact CG2-CD2 3.93Å; I108-F112 HydrophobicContact CG2-CE2 3.41Å; I108-F112 VanDerWaalsContact CG2-CE2 3.41Å; I108-F112 HydrophobicContact CG2-CZ 4.16Å; I108-F112 VanDerWaalsContact O-CD2 3.27Å; I108-F112 WeakPolarHBondContact O-CD2 3.29Å; I108-F112 PolarHBondContact O-N 3.15Å; I108-F112 VanDerWaalsContact O-N 3.15Å
109T87.7Confident88.1Confident52 Ų5251 Ų5132%0.31926%0.257SS..Hα-helixtrans-62.5-41.5177.2-58.10000111.6S105 D106 F107 F112 T113S105-T109 PolarHBondContact O-N 3.11Å; S105-T109 PolarHBondContact O-OG1 3.36Å; S105-T109 VanDerWaalsContact O-OG1 3.08Å; D106-T109 PolarHBondContact O-N 2.87Å; F107-T109 VanDerWaalsContact C-N 3.31Å; F107-T109 PolarHBondContact O-N 3.25Å; T109-F112 PolarHBondContact O-N 3.25Å; T109-T113 HydrophobicContact CG2-CG2 4.48Å; T109-T113 WeakPolarHBondContact O-CB 2.77Å; T109-T113 WeakPolarHBondContact O-CG2 3.18Å; T109-T113 PolarHBondContact O-N 3.28Å; T109-T113 PolarHBondContact O-OG1 2.8Å
110R86.5Confident88.4Confident99 Ų9953.9 Ų53.937%0.37428%0.279SS..Hα-helixtrans-65-41.7174.1-77-168.9-64.5-95.42.5112.3D106 F107 I108 F112 T113 Q114D106-R110 WeakPolarHBondContact O-CB 3.33Å; D106-R110 WeakPolarHBondContact O-CG 3.29Å; D106-R110 PolarHBondContact O-N 2.76Å; F107-R110 PolarHBondContact O-N 3.22Å; I108-R110 VanDerWaalsContact C-N 3.33Å; I108-R110 PolarHBondContact O-N 3.24Å; R110-F112 PolarHBondContact O-N 3.36Å; R110-T113 PolarHBondContact O-N 3.46Å; R110-Q114 CarbonylContact O-C 3.33Å; R110-Q114 WeakPolarHBondContact O-CA 3.15Å; R110-Q114 PolarHBondContact O-N 2.88Å
111D88.2Confident88.8Confident80 Ų8054.1 Ų54.143%0.42828%0.281SS..Hα-helixtrans-58.6-34.4176.9-77.5-0.8000111.8F107 I108 P115 Y130F107-D111 PolarHBondContact O-N 3.05Å; I108-D111 PolarHBondContact O-N 3.19Å; D111-P115 WeakPolarHBondContact O-CB 3.21Å; D111-Y130 VanDerWaalsContact O-CE1 3.29Å; D111-Y130 WeakPolarHBondContact O-CE1 3.4Å; D111-Y130 PolarHBondContact O-OH 3.31Å
112F89.9Confident89.1Confident26 Ų2662 Ų6211%0.11432%0.323CS..Hα-helixtrans-79.7-36.9176.2-68.3-45.8000114.6L30 K35 L38 L39 I108 T109 R110 Y130L30-F112 HydrophobicContact CD2-CE1 3.55Å; L30-F112 HydrophobicContact CD2-CZ 3.51Å; K35-F112 HydrophobicContact CD-CD1 4.41Å; K35-F112 HydrophobicContact CG-CD1 4.23Å; K35-F112 HydrophobicContact CG-CE1 4.2Å; L38-F112 HydrophobicContact CB-CE2 3.89Å; L38-F112 HydrophobicContact CD1-CE2 3.72Å; L38-F112 HydrophobicContact CD1-CZ 3.88Å; L38-F112 HydrophobicContact CG-CE2 4.47Å; L39-F112 HydrophobicContact CD1-CB 4.35Å; L39-F112 HydrophobicContact CD2-CB 3.68Å; L39-F112 HydrophobicContact CD2-CD2 4.14Å; L39-F112 HydrophobicContact CD2-CG 4.28Å; L39-F112 HydrophobicContact CG-CB 4.26Å; L39-F112 HydrophobicContact CG-CD2 4.29Å; L39-F112 HydrophobicContact CG-CG 4.48Å; I108-F112 HydrophobicContact CG2-CD2 3.93Å; I108-F112 HydrophobicContact CG2-CE2 3.41Å; I108-F112 VanDerWaalsContact CG2-CE2 3.41Å; I108-F112 HydrophobicContact CG2-CZ 4.16Å; I108-F112 VanDerWaalsContact O-CD2 3.27Å; I108-F112 WeakPolarHBondContact O-CD2 3.29Å; I108-F112 PolarHBondContact O-N 3.15Å; I108-F112 VanDerWaalsContact O-N 3.15Å; T109-F112 PolarHBondContact O-N 3.25Å; R110-F112 PolarHBondContact O-N 3.36Å; F112-Y130 WeakPolarHBondContact CA-OH 3.45Å; F112-Y130 AromaticContact CD1-CD1 3.53Å; F112-Y130 HydrophobicContact CD1-CD1 3.53Å; F112-Y130 HydrophobicContact CD1-CD2 4.19Å; F112-Y130 AromaticContact CD1-CE1 3.42Å; F112-Y130 HydrophobicContact CD1-CE1 3.42Å; F112-Y130 VanDerWaalsContact CD1-CE1 3.42Å; F112-Y130 HydrophobicContact CD1-CE2 4.12Å; F112-Y130 AromaticContact CD1-CG 3.91Å; F112-Y130 HydrophobicContact CD1-CG 3.91Å; F112-Y130 AromaticContact CD1-CZ 3.73Å; F112-Y130 AromaticContact CE1-CD1 3.41Å; F112-Y130 HydrophobicContact CE1-CD1 3.41Å; F112-Y130 VanDerWaalsContact CE1-CD1 3.41Å; F112-Y130 HydrophobicContact CE1-CD2 4.3Å; F112-Y130 AromaticContact CE1-CE1 3.83Å; F112-Y130 HydrophobicContact CE1-CE1 3.83Å; F112-Y130 AromaticContact CE1-CG 3.66Å; F112-Y130 HydrophobicContact CE1-CG 3.66Å; F112-Y130 HydrophobicContact CG-CE1 4.48Å; F112-Y130 PolarHBondContact O-OH 3.46Å
113T90.3Very high89.3Confident75 Ų7562.6 Ų62.646%0.4633%0.332SS..Hα-helixtrans-96.9-34-168.955.80000113.1L39 T109 R110L39-T113 HydrophobicContact CD2-CG2 3.86Å; T109-T113 HydrophobicContact CG2-CG2 4.48Å; T109-T113 WeakPolarHBondContact O-CB 2.77Å; T109-T113 WeakPolarHBondContact O-CG2 3.18Å; T109-T113 PolarHBondContact O-N 3.28Å; T109-T113 PolarHBondContact O-OG1 2.8Å; R110-T113 PolarHBondContact O-N 3.46Å
114Q90.9Very high89.6Confident100 Ų10066 Ų6647%0.46736%0.358SS..  trans-144.348.8-169.7-65.9-179.58400112.9R110 F116 I117R110-Q114 CarbonylContact O-C 3.33Å; R110-Q114 WeakPolarHBondContact O-CA 3.15Å; R110-Q114 PolarHBondContact O-N 2.88Å; Q114-F116 PolarHBondContact O-N 3.24Å; Q114-I117 HydrophobicContact CB-CB 4.17Å; Q114-I117 HydrophobicContact CB-CD1 4.46Å; Q114-I117 PolarHBondContact O-N 3.43Å; Q114-I117 VanDerWaalsContact OE1-CD1 3.23Å
115P90.9Very high90Very high38 Ų3870.3 Ų70.325%0.24738%0.38CS..THydrogen-bonded Turntrans-62.3-19.3-173.623.8-33.9000114.9D111 I128D111-P115 WeakPolarHBondContact O-CB 3.21Å; P115-I128 HydrophobicContact CB-CD1 3.69Å; P115-I128 HydrophobicContact CG-CD1 3.69Å
116F93.6Very high90.2Very high15 Ų1572.4 Ų72.47%0.06639%0.393CS..THydrogen-bonded Turntrans-115.616.2-176.3-56.4-65.6000113.5K3 V6 L7 Q114 H118 C119 D125 P126 I128K3-F116 HydrophobicContact CB-CD1 3.87Å; K3-F116 HydrophobicContact CB-CE1 4.04Å; K3-F116 HydrophobicContact CD-CB 4.3Å; K3-F116 HydrophobicContact CD-CD1 4.31Å; K3-F116 HydrophobicContact CD-CG 4.16Å; K3-F116 HydrophobicContact CG-CB 4.15Å; K3-F116 HydrophobicContact CG-CD1 3.71Å; K3-F116 HydrophobicContact CG-CE1 4.35Å; K3-F116 HydrophobicContact CG-CG 3.99Å; V6-F116 HydrophobicContact CB-CD1 4.19Å; V6-F116 HydrophobicContact CB-CE1 3.96Å; V6-F116 HydrophobicContact CG1-CD1 4.31Å; V6-F116 HydrophobicContact CG1-CE1 3.98Å; V6-F116 HydrophobicContact CG2-CD1 4.23Å; V6-F116 HydrophobicContact CG2-CE1 4.5Å; L7-F116 HydrophobicContact CD2-CE1 4.4Å; L7-F116 HydrophobicContact CD2-CZ 4.18Å; Q114-F116 PolarHBondContact O-N 3.24Å; F116-H118 PolarHBondContact O-N 2.85Å; F116-H118 VanDerWaalsContact O-N 3.08Å; F116-C119 HydrophobicContact CB-CB 4.21Å; F116-C119 VanDerWaalsContact O-CB 3.28Å; F116-C119 WeakPolarHBondContact O-CB 3.19Å; F116-C119 PolarHBondContact O-N 2.78Å; F116-D125 HydrophobicContact CD2-CB 4.14Å; F116-D125 HydrophobicContact CE2-CB 4.37Å; F116-P126 HydrophobicContact CE1-CG 4.05Å; F116-P126 HydrophobicContact CE2-CG 3.81Å; F116-P126 HydrophobicContact CZ-CG 3.36Å; F116-I128 HydrophobicContact CE1-CD1 4.35Å; F116-I128 HydrophobicContact CE2-CD1 3.55Å; F116-I128 HydrophobicContact CE2-CG1 4.18Å; F116-I128 HydrophobicContact CZ-CD1 3.36Å; F116-I128 HydrophobicContact CZ-CG1 3.85Å
117I91.1Very high90.5Very high97 Ų9773.4 Ų73.450%0.49741%0.407SS..THydrogen-bonded Turntrans-56-31-173.8-164.5178.2000114.1Q114Q114-I117 HydrophobicContact CB-CB 4.17Å; Q114-I117 HydrophobicContact CB-CD1 4.46Å; Q114-I117 PolarHBondContact O-N 3.43Å; Q114-I117 VanDerWaalsContact OE1-CD1 3.23Å
118H91.1Very high90.7Very high124 Ų12473.5 Ų73.557%0.57441%0.408SS*.THydrogen-bonded Turntrans-96.74.8178.8-57.5-52.4000113.8M1 F116M1-H118 PolarHBondContact N-O 3Å; F116-H118 PolarHBondContact O-N 2.85Å; F116-H118 VanDerWaalsContact O-N 3.08Å
119C93.6Very high90.9Very high20 Ų2081 Ų8114%0.13544%0.443CS..  trans-80.7138173.4-650000110.1M1 K3 F116M1-C119 VanDerWaalsContact O-CA 3.31Å; M1-C119 WeakPolarHBondContact O-CA 3.33Å; K3-C119 HydrophobicContact CG-CB 3.56Å; F116-C119 HydrophobicContact CB-CB 4.21Å; F116-C119 VanDerWaalsContact O-CB 3.28Å; F116-C119 WeakPolarHBondContact O-CB 3.19Å; F116-C119 PolarHBondContact O-N 2.78Å
120T93.5Very high91.2Very high118 Ų11880.7 Ų80.772%0.72444%0.437SS*.  trans-114.32.8-172.554.90000112.2M1M1-T120 PolarHBondContact N-OG1 3.35Å; M1-T120 PolarHBondContact O-N 3.14Å; M1-T120 PolarHBondContact O-OG1 3.22Å
121D93.3Very high91.5Very high41 Ų4178.3 Ų78.322%0.21943%0.43CS..  trans-89.1138.5177.556.2-56.6000111.8K2 K3 S123K2-D121 VanDerWaalsContact CA-OD1 3.28Å; K2-D121 WeakPolarHBondContact CA-OD1 3.42Å; K3-D121 WeakPolarHBondContact CE-O 3.35Å; K3-D121 PolarHBondContact N-OD1 2.95Å; K3-D121 PolarHBondContact N-OD2 3.26Å; D121-S123 PolarHBondContact O-N 2.86Å; D121-S123 VanDerWaalsContact O-N 3.15Å; D121-S123 PolarHBondContact OD2-OG 3.05Å; D121-S123 VanDerWaalsContact OD2-OG 3.06Å
122D91.8Very high91.7Very high171 Ų17176 Ų7691%0.91442%0.417SS*.  trans-7811.1-177.6-58-46.3000113.7
123S91.5Very high91.9Very high49 Ų4976.6 Ų76.634%0.34342%0.423SS..SBendtrans-66.1153.3177.577.20000110.2K3 D121K3-S123 PolarHBondContact NZ-O 3.08Å; D121-S123 PolarHBondContact O-N 2.86Å; D121-S123 VanDerWaalsContact O-N 3.15Å; D121-S123 PolarHBondContact OD2-OG 3.05Å; D121-S123 VanDerWaalsContact OD2-OG 3.06Å
124P91.9Very high92Very high116 Ų11676.1 Ų76.175%0.75342%0.417SS*.PPolyproline II helixtrans-59.6150.517126.5-34.3000110.8
125D91.8Very high92.1Very high108 Ų10877.4 Ų77.458%0.57842%0.418SS*.PPolyproline II helixtrans-65.1126.3173.5-74.7-6.3000109.6K3 F116K3-D125 VanDerWaalsContact CE-OD1 3.29Å; K3-D125 WeakPolarHBondContact CE-OD1 3.33Å; K3-D125 IonicContact NZ-OD1 2.66Å; K3-D125 PolarHBondContact NZ-OD1 2.93Å; F116-D125 HydrophobicContact CD2-CB 4.14Å; F116-D125 HydrophobicContact CE2-CB 4.37Å
126P91.8Very high92.1Very high46 Ų4682.4 Ų82.430%0.29944%0.436SS..PPolyproline II helixtrans-71.3153.2176.431.2-35.8000110.6L7 F116 I128L7-P126 HydrophobicContact CD1-CB 4.14Å; L7-P126 HydrophobicContact CD1-CG 3.91Å; L7-P126 HydrophobicContact CD2-CG 4.08Å; L7-P126 HydrophobicContact CG-CG 4.29Å; F116-P126 HydrophobicContact CE1-CG 4.05Å; F116-P126 HydrophobicContact CE2-CG 3.81Å; F116-P126 HydrophobicContact CZ-CG 3.36Å; P126-I128 PolarHBondContact O-N 3.25Å
127C88.4Confident91.8Very high126 Ų12687 Ų8785%0.85145%0.453SS*.PPolyproline II helixtrans-70.4122.5169.5-169.70000109.2
128I89.9Confident91.5Very high28 Ų2884.9 Ų84.914%0.14445%0.446CS..PPolyproline II helixtrans-97.5123.7174.5-65.7164.4000109.3L7 P115 F116 P126 Y130L7-I128 HydrophobicContact CD2-CG1 4.21Å; P115-I128 HydrophobicContact CB-CD1 3.69Å; P115-I128 HydrophobicContact CG-CD1 3.69Å; F116-I128 HydrophobicContact CE1-CD1 4.35Å; F116-I128 HydrophobicContact CE2-CD1 3.55Å; F116-I128 HydrophobicContact CE2-CG1 4.18Å; F116-I128 HydrophobicContact CZ-CD1 3.36Å; F116-I128 HydrophobicContact CZ-CG1 3.85Å; P126-I128 PolarHBondContact O-N 3.25Å; I128-Y130 HydrophobicContact CB-CE2 4.1Å; I128-Y130 HydrophobicContact CG2-CD1 4.11Å; I128-Y130 HydrophobicContact CG2-CD2 4.11Å; I128-Y130 HydrophobicContact CG2-CE1 4.03Å; I128-Y130 HydrophobicContact CG2-CE2 4.01Å; I128-Y130 HydrophobicContact CG2-CG 4.16Å; I128-Y130 PolarHBondContact O-N 3.49Å
129E91Very high91.2Very high171 Ų17187.4 Ų87.480%0.79946%0.458SS*.  trans-83.3107.7161.8-66.5-170.917600108.5
130Y93.4Very high90.7Very high47 Ų4791 Ų9118%0.18448%0.475CS..  trans-72.6143.5-179.6-70.8-85.3000111L30 K35 D111 F112 I128L30-Y130 WeakPolarHBondContact CB-O 3.12Å; L30-Y130 PolarHBondContact N-O 3.2Å; K35-Y130 HydrophobicContact CD-CD2 4.2Å; D111-Y130 VanDerWaalsContact O-CE1 3.29Å; D111-Y130 WeakPolarHBondContact O-CE1 3.4Å; D111-Y130 PolarHBondContact O-OH 3.31Å; F112-Y130 WeakPolarHBondContact CA-OH 3.45Å; F112-Y130 AromaticContact CD1-CD1 3.53Å; F112-Y130 HydrophobicContact CD1-CD1 3.53Å; F112-Y130 HydrophobicContact CD1-CD2 4.19Å; F112-Y130 AromaticContact CD1-CE1 3.42Å; F112-Y130 HydrophobicContact CD1-CE1 3.42Å; F112-Y130 VanDerWaalsContact CD1-CE1 3.42Å; F112-Y130 HydrophobicContact CD1-CE2 4.12Å; F112-Y130 AromaticContact CD1-CG 3.91Å; F112-Y130 HydrophobicContact CD1-CG 3.91Å; F112-Y130 AromaticContact CD1-CZ 3.73Å; F112-Y130 AromaticContact CE1-CD1 3.41Å; F112-Y130 HydrophobicContact CE1-CD1 3.41Å; F112-Y130 VanDerWaalsContact CE1-CD1 3.41Å; F112-Y130 HydrophobicContact CE1-CD2 4.3Å; F112-Y130 AromaticContact CE1-CE1 3.83Å; F112-Y130 HydrophobicContact CE1-CE1 3.83Å; F112-Y130 AromaticContact CE1-CG 3.66Å; F112-Y130 HydrophobicContact CE1-CG 3.66Å; F112-Y130 HydrophobicContact CG-CE1 4.48Å; F112-Y130 PolarHBondContact O-OH 3.46Å; I128-Y130 HydrophobicContact CB-CE2 4.1Å; I128-Y130 HydrophobicContact CG2-CD1 4.11Å; I128-Y130 HydrophobicContact CG2-CD2 4.11Å; I128-Y130 HydrophobicContact CG2-CE1 4.03Å; I128-Y130 HydrophobicContact CG2-CE2 4.01Å; I128-Y130 HydrophobicContact CG2-CG 4.16Å; I128-Y130 PolarHBondContact O-N 3.49Å
131E94.1Very high90.4Very high48 Ų4891.3 Ų91.322%0.22447%0.471CS..EExtended strand (participates in β ladder)trans-124.6136.3-17755.9-174.9-168.600111.4F11 S12 I27 L28 V133F11-E131 WeakPolarHBondContact CA-OE1 3.02Å; F11-E131 VanDerWaalsContact CB-OE1 3.26Å; F11-E131 WeakPolarHBondContact CB-OE1 3.45Å; F11-E131 PolarHBondContact N-OE1 2.74Å; S12-E131 WeakPolarHBondContact CB-OE2 3.29Å; S12-E131 PolarHBondContact N-OE1 3.34Å; S12-E131 PolarHBondContact OG-OE1 2.93Å; S12-E131 PolarHBondContact OG-OE2 3.05Å; I27-E131 HydrophobicContact CG2-CB 3.9Å; I27-E131 HydrophobicContact CG2-CG 4.41Å; I27-E131 VanDerWaalsContact CG2-OE2 3.25Å; I27-E131 WeakPolarHBondContact CG2-OE2 3.43Å; L28-E131 CarbonylContact O-C 3.55Å; L28-E131 WeakPolarHBondContact O-CA 3.37Å; E131-V133 HydrophobicContact CG-CG2 4.04Å
132L93Very high90.1Very high33 Ų3392.2 Ų92.217%0.17348%0.479CS..EExtended strand (participates in β ladder)trans-87.7111.4167.6175.164000108.8L28 L30 F102 L134L28-L132 HydrophobicContact CB-CB 4.34Å; L28-L132 HydrophobicContact CD1-CD2 4.38Å; L28-L132 PolarHBondContact N-O 3.01Å; L28-L132 PolarHBondContact O-N 3.08Å; L30-L132 HydrophobicContact CD1-CB 4.08Å; F102-L132 HydrophobicContact CE2-CD1 3.38Å; F102-L132 HydrophobicContact CZ-CD1 3.58Å; L132-L134 HydrophobicContact CD1-CD2 4.06Å; L132-L134 HydrophobicContact CG-CD2 4.2Å; L132-L134 HydrophobicContact CG-CG 4.29Å
133V93.8Very high90Very high38 Ų3884.1 Ų84.123%0.2344%0.436CS..EExtended strand (participates in β ladder)trans-101.8115.9179-177.20000110.3F11 E131 R135F11-V133 HydrophobicContact CB-CG2 3.75Å; F11-V133 HydrophobicContact CD1-CG1 3.68Å; F11-V133 HydrophobicContact CD1-CG2 3.94Å; F11-V133 HydrophobicContact CD2-CG1 3.79Å; F11-V133 HydrophobicContact CD2-CG2 4.47Å; F11-V133 HydrophobicContact CE1-CG1 3.69Å; F11-V133 HydrophobicContact CE2-CG1 3.8Å; F11-V133 HydrophobicContact CG-CB 4.41Å; F11-V133 HydrophobicContact CG-CG1 3.75Å; F11-V133 HydrophobicContact CG-CG2 3.81Å; F11-V133 HydrophobicContact CZ-CG1 3.77Å; E131-V133 HydrophobicContact CG-CG2 4.04Å; V133-R135 HydrophobicContact CG1-CG 4.06Å
134L91.9Very high90Very high64 Ų6484.6 Ų84.634%0.33544%0.443SS..EExtended strand (participates in β ladder)trans-107110.9174.7-58.3-179.2000109.7S25 V26 I98 L132S25-L134 CarbonylContact C-O 3.55Å; S25-L134 VanDerWaalsContact CA-O 3.28Å; S25-L134 WeakPolarHBondContact CA-O 3.24Å; V26-L134 PolarHBondContact N-O 3.49Å; V26-L134 PolarHBondContact O-N 3.19Å; I98-L134 HydrophobicContact CD1-CD2 3.92Å; L132-L134 HydrophobicContact CD1-CD2 4.06Å; L132-L134 HydrophobicContact CG-CD2 4.2Å; L132-L134 HydrophobicContact CG-CG 4.29Å
135R92.3Very high90Very high128 Ų12881.9 Ų81.948%0.48342%0.42SS..EExtended strand (participates in β ladder)trans-93.6138.8178.3-55.6179.765.2-1720.2109.8I23 S25 V133 W137I23-R135 HydrophobicContact CG2-CB 4.48Å; S25-R135 WeakPolarHBondContact OG-CG 3.49Å; V133-R135 HydrophobicContact CG1-CG 4.06Å; R135-W137 PolarHBondContact O-N 2.73Å
136K90.8Very high90.1Very high143 Ų14379.3 Ų79.362%0.62240%0.404SS*.PPolyproline II helixtrans-60.6125.8173.9-179.4178.9176.2-178.80109.3I23 K24 C138I23-K136 HydrophobicContact CG2-CB 4.16Å; I23-K136 VanDerWaalsContact CG2-O 3.24Å; I23-K136 WeakPolarHBondContact CG2-O 3.47Å; K24-K136 HydrophobicContact CB-CB 4.36Å; K24-K136 VanDerWaalsContact O-CB 3.29Å; K24-K136 WeakPolarHBondContact O-CB 3.46Å; K24-K136 PolarHBondContact O-N 3.45Å; K136-C138 PolarHBondContact O-N 3.35Å
137W87.9Confident90.2Very high112 Ų11279 Ų7942%0.42440%0.397SS..PPolyproline II helixtrans-60.1132.1173.6-177.4-94.1000111.3S89 L90 K91 R135S89-W137 WeakPolarHBondContact OG-CH2 3.27Å; L90-W137 HydrophobicContact CB-CZ3 4.08Å; K91-W137 HydrophobicContact CB-CD2 3.67Å; K91-W137 HydrophobicContact CB-CE3 3.63Å; K91-W137 HydrophobicContact CB-CG 4.39Å; K91-W137 HydrophobicContact CB-CH2 3.89Å; K91-W137 HydrophobicContact CB-CZ2 3.93Å; K91-W137 HydrophobicContact CB-CZ3 3.74Å; K91-W137 HydrophobicContact CD-CD2 4.02Å; K91-W137 HydrophobicContact CD-CG 4.04Å; K91-W137 HydrophobicContact CD-CZ2 4.48Å; K91-W137 HydrophobicContact CG-CD2 3.69Å; K91-W137 HydrophobicContact CG-CE3 4.05Å; K91-W137 HydrophobicContact CG-CG 3.87Å; K91-W137 VanDerWaalsContact N-CZ3 3.33Å; R135-W137 PolarHBondContact O-N 2.73Å
138C85.4Confident90.6Very high52 Ų5275.7 Ų75.735%0.35138%0.375SS..  trans-144.4153.7168.660.10000109.6I23 K136 L140I23-C138 WeakPolarHBondContact CD1-SG 3.36Å; K136-C138 PolarHBondContact O-N 3.35Å; C138-L140 PolarHBondContact O-N 3.05Å
139E83.7Confident90.9Very high177 Ų17778.6 Ų78.683%0.82739%0.386SS*.  trans-81.1115.8173.5-68.2174.9178.800108.4
140L84.4Confident91.1Very high96 Ų9675 Ų7550%0.50338%0.376SS..  trans-99.2140.8173.4-61.6178.6000108.5C138 P142C138-L140 PolarHBondContact O-N 3.05Å; L140-P142 WeakPolarHBondContact O-CD 3.42Å
141I86.6Confident91.3Very high124 Ų12479 Ų7964%0.63639%0.394SS*.  trans-88.9116.2175.8-59.4171000106.4G143 A144I141-G143 VanDerWaalsContact C-N 3.26Å; I141-G143 PolarHBondContact O-N 2.9Å; I141-A144 HydrophobicContact CB-CB 4.12Å; I141-A144 HydrophobicContact CG2-CB 4.44Å; I141-A144 WeakPolarHBondContact O-CA 3.37Å; I141-A144 WeakPolarHBondContact O-CB 3.36Å; I141-A144 PolarHBondContact O-N 3.38Å
142P87Confident91.3Very high59 Ų5983.8 Ų83.838%0.38342%0.417SS..G310 helixtrans-55.4-39.4-174.9-28.936.4000113.6L140 A144 E145L140-P142 WeakPolarHBondContact O-CD 3.42Å; P142-A144 PolarHBondContact O-N 3.37Å; P142-A144 VanDerWaalsContact O-N 3.1Å; P142-E145 PolarHBondContact O-N 3.1Å; P142-E145 VanDerWaalsContact O-N 3.14Å
143G89.4Confident91.4Very high1 Ų190 Ų901%0.0145%0.45CS..G310 helixtrans-71.52.8175.600000116I141 H169I141-G143 VanDerWaalsContact C-N 3.26Å; I141-G143 PolarHBondContact O-N 2.9Å; G143-H169 PolarHBondContact O-NE2 3.44Å
144A90.9Very high91.4Very high60 Ų6095 Ų9550%0.49647%0.469SS..G310 helixtrans-114.59.9173.100000112.4I141 P142 F146I141-A144 HydrophobicContact CB-CB 4.12Å; I141-A144 HydrophobicContact CG2-CB 4.44Å; I141-A144 WeakPolarHBondContact O-CA 3.37Å; I141-A144 WeakPolarHBondContact O-CB 3.36Å; I141-A144 PolarHBondContact O-N 3.38Å; P142-A144 PolarHBondContact O-N 3.37Å; P142-A144 VanDerWaalsContact O-N 3.1Å; A144-F146 WeakPolarHBondContact O-CD2 3.41Å; A144-F146 WeakPolarHBondContact O-CE2 3.47Å
145E92.1Very high91.6Very high58 Ų5894.5 Ų94.527%0.27147%0.466SS..  trans-99.5129.9176.5-64.8-176.293.600111P142 R161P142-E145 PolarHBondContact O-N 3.1Å; P142-E145 VanDerWaalsContact O-N 3.14Å; E145-R161 HydrophobicContact CB-CB 3.71Å; E145-R161 HydrophobicContact CB-CG 4.36Å; E145-R161 WeakPolarHBondContact O-CB 3.37Å; E145-R161 PolarHBondContact O-N 2.98Å
146F93.7Very high91.9Very high55 Ų5593.8 Ų93.824%0.24147%0.471CS..EExtended strand (participates in β ladder)trans-130.8142.8-177-57.9-82.8000111.1A144 I158 S159 I170 I177 I181A144-F146 WeakPolarHBondContact O-CD2 3.41Å; A144-F146 WeakPolarHBondContact O-CE2 3.47Å; F146-I158 HydrophobicContact CB-CG2 3.89Å; F146-I158 HydrophobicContact CD1-CG2 4.1Å; F146-I158 HydrophobicContact CG-CG2 4.24Å; F146-S159 CarbonylContact C-O 3.49Å; F146-S159 VanDerWaalsContact CA-O 3.22Å; F146-S159 WeakPolarHBondContact CA-O 3.36Å; F146-I170 HydrophobicContact CE1-CD1 4.07Å; F146-I170 HydrophobicContact CE1-CG1 4.31Å; F146-I170 HydrophobicContact CE1-CG2 4.13Å; F146-I170 HydrophobicContact CZ-CD1 4.32Å; F146-I170 HydrophobicContact CZ-CG1 4.25Å; F146-I177 HydrophobicContact CD1-CG2 4.37Å; F146-I177 HydrophobicContact CD2-CG2 4.2Å; F146-I177 HydrophobicContact CE1-CD1 4.3Å; F146-I177 HydrophobicContact CE1-CG2 4.07Å; F146-I177 HydrophobicContact CE2-CD1 4.43Å; F146-I177 HydrophobicContact CE2-CG1 4.41Å; F146-I177 HydrophobicContact CE2-CG2 3.89Å; F146-I177 HydrophobicContact CG-CG2 4.43Å; F146-I177 HydrophobicContact CZ-CD1 3.7Å; F146-I177 HydrophobicContact CZ-CG1 4.15Å; F146-I177 HydrophobicContact CZ-CG2 3.83Å; F146-I181 HydrophobicContact CB-CD1 4.23Å; F146-I181 HydrophobicContact CD2-CD1 4.44Å; F146-I181 HydrophobicContact CG-CD1 4.37Å
147R95.3Very high92.1Very high38 Ų3888.2 Ų88.214%0.14345%0.454CS..EExtended strand (participates in β ladder)trans-96125.3168.1-171.1177.1-77.1172.5-12.2108.6D72 F149 I158 S159 R161D72-R147 IonicContact OD1-CZ 3.37Å; D72-R147 IonicContact OD1-NH1 3.65Å; D72-R147 PolarHBondContact OD1-NH1 3.38Å; D72-R147 IonicContact OD1-NH2 3.46Å; D72-R147 PolarHBondContact OD1-NH2 3.33Å; D72-R147 IonicContact OD2-CZ 2.61Å; D72-R147 IonicContact OD2-NH1 3.87Å; D72-R147 PolarHBondContact OD2-NH1 3.36Å; D72-R147 IonicContact OD2-NH2 3.96Å; R147-F149 HydrophobicContact CB-CE2 4.3Å; R147-F149 HydrophobicContact CB-CZ 4.32Å; R147-F149 VanDerWaalsContact CD-CZ 3.47Å; R147-F149 HydrophobicContact CG-CE1 4.14Å; R147-F149 HydrophobicContact CG-CE2 4.07Å; R147-F149 HydrophobicContact CG-CZ 3.75Å; R147-I158 CarbonylContact O-C 3.59Å; R147-I158 WeakPolarHBondContact O-CA 3.38Å; R147-S159 PolarHBondContact N-O 3.4Å; R147-S159 PolarHBondContact O-N 2.9Å; R147-R161 VanDerWaalsContact NH2-NH1 3.14Å
148C95.6Very high92.5Very high57 Ų5785.7 Ų85.739%0.38545%0.448SS..EExtended strand (participates in β ladder)trans-107.4132.4-179.8-60.20000109.6L155 I181C148-L155 HydrophobicContact CB-CD1 3.87Å; C148-I181 WeakPolarHBondContact SG-CG2 2.93Å
149F96.4Very high92.9Very high89 Ų8985.5 Ų85.539%0.3945%0.447SS..EExtended strand (participates in β ladder)trans-110.2121-178.1-57.8-88.9000109R147 I156 G157R147-F149 HydrophobicContact CB-CE2 4.3Å; R147-F149 HydrophobicContact CB-CZ 4.32Å; R147-F149 VanDerWaalsContact CD-CZ 3.47Å; R147-F149 HydrophobicContact CG-CE1 4.14Å; R147-F149 HydrophobicContact CG-CE2 4.07Å; R147-F149 HydrophobicContact CG-CZ 3.75Å; F149-I156 HydrophobicContact CB-CD1 4.37Å; F149-I156 HydrophobicContact CB-CG1 3.91Å; F149-I156 WeakPolarHBondContact O-CG1 3.46Å; F149-I156 PolarHBondContact O-N 3.35Å; F149-G157 PolarHBondContact N-O 3.4Å; F149-G157 PolarHBondContact O-N 2.91Å
150V96.1Very high93.3Very high97 Ų9779.3 Ų79.359%0.58842%0.418SS*.EExtended strand (participates in β ladder)trans-119.8132.6-176.5-178.40000109.5K154 L155V150-K154 WeakPolarHBondContact CA-O 3.48Å; V150-L155 HydrophobicContact CG2-CD1 4.21Å
151K96.3Very high93.6Very high129 Ų12976.9 Ų76.956%0.56140%0.402SS*.EExtended strand (participates in β ladder)trans-138134173.5-177.4177.4177.8-178.10109.2N153 K154 I156K151-N153 PolarHBondContact O-N 3.37Å; K151-K154 PolarHBondContact N-O 3.38Å; K151-K154 WeakPolarHBondContact O-CB 3.29Å; K151-K154 PolarHBondContact O-N 3.49Å; K151-I156 HydrophobicContact CB-CD1 3.87Å; K151-I156 HydrophobicContact CB-CG1 4.37Å; K151-I156 HydrophobicContact CB-CG2 4.13Å
152E95.5Very high93.7Very high150 Ų15072.4 Ų72.470%0.70138%0.38SS*.THydrogen-bonded Turntrans51.644.3-179.3-65167.2-157.800112.5K154E152-K154 PolarHBondContact O-N 3.3Å; E152-K154 VanDerWaalsContact O-N 3.14Å
153N93.6Very high93.6Very high163 Ų16376.6 Ų76.687%0.87239%0.389SS*.THydrogen-bonded Turntrans56.624.3-176.3-60.3-13.5000114.6K151K151-N153 PolarHBondContact O-N 3.37Å
154K95.2Very high93.5Very high142 Ų14280.4 Ų80.462%0.61741%0.412SS*.EExtended strand (participates in β ladder)trans-121.1133.6175.4-65.9174.5-177.4171.60110.1V150 K151 E152 I156V150-K154 WeakPolarHBondContact CA-O 3.48Å; K151-K154 PolarHBondContact N-O 3.38Å; K151-K154 WeakPolarHBondContact O-CB 3.29Å; K151-K154 PolarHBondContact O-N 3.49Å; E152-K154 PolarHBondContact O-N 3.3Å; E152-K154 VanDerWaalsContact O-N 3.14Å; K154-I156 PolarHBondContact O-N 2.94Å
155L96.1Very high93.5Very high54 Ų5482.8 Ų82.828%0.28341%0.413SS..EExtended strand (participates in β ladder)trans-68.8113.4170-176.468.3000109C148 V150 I158 I181 Q182C148-L155 HydrophobicContact CB-CD1 3.87Å; V150-L155 HydrophobicContact CG2-CD1 4.21Å; L155-I158 HydrophobicContact CD1-CG1 4.24Å; L155-I158 HydrophobicContact CD2-CD1 3.9Å; L155-I158 HydrophobicContact CD2-CG1 4.01Å; L155-I158 HydrophobicContact CG-CG1 4.38Å; L155-I181 HydrophobicContact CD1-CG2 4.44Å; L155-I181 HydrophobicContact CD2-CG2 3.8Å; L155-Q182 HydrophobicContact CD2-CG 3.7Å
156I96.9Very high93.6Very high114 Ų11487.7 Ų87.759%0.58543%0.43SS*.EExtended strand (participates in β ladder)trans-103.1-17.9-176.958.1162.9000113.2F149 K151 K154F149-I156 HydrophobicContact CB-CD1 4.37Å; F149-I156 HydrophobicContact CB-CG1 3.91Å; F149-I156 WeakPolarHBondContact O-CG1 3.46Å; F149-I156 PolarHBondContact O-N 3.35Å; K151-I156 HydrophobicContact CB-CD1 3.87Å; K151-I156 HydrophobicContact CB-CG1 4.37Å; K151-I156 HydrophobicContact CB-CG2 4.13Å; K154-I156 PolarHBondContact O-N 2.94Å
157G96.4Very high93.6Very high25 Ų2586.9 Ų86.926%0.25843%0.426SS..EExtended strand (participates in β ladder)trans-165.2153.5179.900000112.7F149F149-G157 PolarHBondContact N-O 3.4Å; F149-G157 PolarHBondContact O-N 2.91Å
158I95.8Very high93.6Very high60 Ų6088.6 Ų88.631%0.30844%0.438SS..EExtended strand (participates in β ladder)trans-133.2133.3169.8-57.3161.7000106.3F146 R147 L155 I181F146-I158 HydrophobicContact CB-CG2 3.89Å; F146-I158 HydrophobicContact CD1-CG2 4.1Å; F146-I158 HydrophobicContact CG-CG2 4.24Å; R147-I158 CarbonylContact O-C 3.59Å; R147-I158 WeakPolarHBondContact O-CA 3.38Å; L155-I158 HydrophobicContact CD1-CG1 4.24Å; L155-I158 HydrophobicContact CD2-CD1 3.9Å; L155-I158 HydrophobicContact CD2-CG1 4.01Å; L155-I158 HydrophobicContact CG-CG1 4.38Å; I158-I181 HydrophobicContact CD1-CB 4.34Å; I158-I181 HydrophobicContact CD1-CD1 3.86Å; I158-I181 HydrophobicContact CD1-CG2 4.11Å; I158-I181 HydrophobicContact CG1-CD1 4.26Å; I158-I181 HydrophobicContact CG1-CG2 4.35Å; I158-I181 HydrophobicContact CG2-CD1 3.83Å
159S94.2Very high93.6Very high47 Ų4789 Ų8933%0.32943%0.434SS..EExtended strand (participates in β ladder)trans-129.1156.8170.671.40000110.6F146 R147F146-S159 CarbonylContact C-O 3.49Å; F146-S159 VanDerWaalsContact CA-O 3.22Å; F146-S159 WeakPolarHBondContact CA-O 3.36Å; R147-S159 PolarHBondContact N-O 3.4Å; R147-S159 PolarHBondContact O-N 2.9Å
160Q92.1Very high93.6Very high48 Ų4886.2 Ų86.222%0.22442%0.423CS..EExtended strand (participates in β ladder)trans-60.8142.8166.2-166180-49.200109.3D162 Q165 I170Q160-D162 WeakPolarHBondContact CG-O 3.33Å; Q160-D162 PolarHBondContact NE2-O 3.38Å; Q160-Q165 PolarHBondContact NE2-O 3.18Å; Q160-I170 HydrophobicContact CB-CD1 4.48Å; Q160-I170 HydrophobicContact CG-CD1 3.91Å
161R90.6Very high93.5Very high44 Ų4485.1 Ų85.117%0.16642%0.42CS..SBendtrans-78.5-45.2178.318059.5-176.2111.9-3.6112.1D72 T75 E145 R147D72-R161 PolarHBondContact O-NH2 3.09Å; T75-R161 PolarHBondContact OG1-NE 3.34Å; T75-R161 PolarHBondContact OG1-NH2 3.35Å; E145-R161 HydrophobicContact CB-CB 3.71Å; E145-R161 HydrophobicContact CB-CG 4.36Å; E145-R161 WeakPolarHBondContact O-CB 3.37Å; E145-R161 PolarHBondContact O-N 2.98Å; R147-R161 VanDerWaalsContact NH2-NH1 3.14Å
162D88.3Confident93.5Very high30 Ų3086.7 Ų86.716%0.1643%0.426CS..  trans-75.7120.7168.7179.93.7000108.3Q160 T164 Y167Q160-D162 WeakPolarHBondContact CG-O 3.33Å; Q160-D162 PolarHBondContact NE2-O 3.38Å; D162-T164 WeakPolarHBondContact OD1-CB 3.49Å; D162-T164 PolarHBondContact OD1-N 3.03Å; D162-T164 PolarHBondContact OD1-OG1 3.44Å; D162-Y167 HydrophobicContact CB-CE2 4.45Å; D162-Y167 PolarHBondContact OD2-OH 3.15Å; D162-Y167 VanDerWaalsContact OD2-OH 3.09Å
163Y84.8Confident93.5Very high147 Ų14783.8 Ų83.858%0.57641%0.413SS*.  trans-100.6-517763-94.6000112.6
164T88.3Confident93.5Very high82 Ų8282.5 Ų82.550%0.50340%0.4SS..SBendtrans-85.8-19.3-172.769.10000112.9W69 D162W69-T164 HydrophobicContact CZ3-CG2 4.47Å; D162-T164 WeakPolarHBondContact OD1-CB 3.49Å; D162-T164 PolarHBondContact OD1-N 3.03Å; D162-T164 PolarHBondContact OD1-OG1 3.44Å
165Q90.4Very high93.6Very high109 Ų10981.8 Ų81.851%0.50940%0.398SS..SBendtrans-125.3141-177-62.2-17628.600111.9Q160 Y167Q160-Q165 PolarHBondContact NE2-O 3.18Å; Q165-Y167 HydrophobicContact CB-CE1 4.25Å; Q165-Y167 HydrophobicContact CB-CE2 3.97Å; Q165-Y167 PolarHBondContact OE1-OH 2.97Å
166Y92.9Very high93.6Very high161 Ų16184.1 Ų84.163%0.63141%0.408SS*.  trans-90.2126.2168172.6-101.3000110.1D168 S171Y166-D168 HydrophobicContact CE1-CB 3.85Å; Y166-D168 PolarHBondContact OH-OD1 3.24Å; Y166-S171 PolarHBondContact OH-OG 3.41Å
167Y94.9Very high93.5Very high38 Ų3880 Ų8015%0.14939%0.387CS..  trans-111.9109.8174.5-60.8-70.3000112D162 Q165 H169 I170D162-Y167 HydrophobicContact CB-CE2 4.45Å; D162-Y167 PolarHBondContact OD2-OH 3.15Å; D162-Y167 VanDerWaalsContact OD2-OH 3.09Å; Q165-Y167 HydrophobicContact CB-CE1 4.25Å; Q165-Y167 HydrophobicContact CB-CE2 3.97Å; Q165-Y167 PolarHBondContact OE1-OH 2.97Å; Y167-H169 WeakPolarHBondContact CB-CE1 3.11Å; Y167-H169 AromaticContact CG-CE1 3.85Å; Y167-H169 PolarHBondContact O-N 2.94Å; Y167-I170 HydrophobicContact CD2-CD1 4.03Å; Y167-I170 HydrophobicContact CG-CD1 4.36Å; Y167-I170 WeakPolarHBondContact O-CB 3.33Å; Y167-I170 PolarHBondContact O-N 3.13Å; Y167-I170 VanDerWaalsContact O-N 3.09Å
168D96.1Very high93.4Very high75 Ų7585 Ų8540%0.40140%0.398SS..Hα-helixtrans-60.4-30.2-175-173.865.9000114.1Y166 I170 S171 K172Y166-D168 HydrophobicContact CE1-CB 3.85Å; Y166-D168 PolarHBondContact OH-OD1 3.24Å; D168-I170 PolarHBondContact O-N 3.06Å; D168-S171 PolarHBondContact O-N 3.46Å; D168-K172 PolarHBondContact O-N 2.99Å; D168-K172 WeakPolarHBondContact OD2-CE 3.16Å; D168-K172 IonicContact OD2-NZ 2.93Å; D168-K172 PolarHBondContact OD2-NZ 2.84Å
169H95.3Very high93.4Very high64 Ų6488.7 Ų88.730%0.29641%0.408SS..Hα-helixtrans-64.8-27.9178.166.6-89.9000113G143 Y167 S171 K172 Q173G143-H169 PolarHBondContact O-NE2 3.44Å; Y167-H169 WeakPolarHBondContact CB-CE1 3.11Å; Y167-H169 AromaticContact CG-CE1 3.85Å; Y167-H169 PolarHBondContact O-N 2.94Å; H169-S171 VanDerWaalsContact C-N 3.34Å; H169-S171 PolarHBondContact O-N 3.17Å; H169-K172 PolarHBondContact O-N 2.84Å; H169-K172 VanDerWaalsContact O-N 3.16Å; H169-Q173 WeakPolarHBondContact O-CB 3.31Å; H169-Q173 WeakPolarHBondContact O-CG 3.47Å; H169-Q173 PolarHBondContact O-N 2.78Å
170I95.3Very high93.3Very high31 Ų3190.1 Ų90.116%0.15942%0.417CS..Hα-helixtrans-62.7-44.2-179.1-63.9177.3000110.2F146 Q160 Y167 D168 K172 Q173 K174 I177F146-I170 HydrophobicContact CE1-CD1 4.07Å; F146-I170 HydrophobicContact CE1-CG1 4.31Å; F146-I170 HydrophobicContact CE1-CG2 4.13Å; F146-I170 HydrophobicContact CZ-CD1 4.32Å; F146-I170 HydrophobicContact CZ-CG1 4.25Å; Q160-I170 HydrophobicContact CB-CD1 4.48Å; Q160-I170 HydrophobicContact CG-CD1 3.91Å; Y167-I170 HydrophobicContact CD2-CD1 4.03Å; Y167-I170 HydrophobicContact CG-CD1 4.36Å; Y167-I170 WeakPolarHBondContact O-CB 3.33Å; Y167-I170 PolarHBondContact O-N 3.13Å; Y167-I170 VanDerWaalsContact O-N 3.09Å; D168-I170 PolarHBondContact O-N 3.06Å; I170-K172 VanDerWaalsContact C-N 3.31Å; I170-K172 PolarHBondContact O-N 3.34Å; I170-Q173 PolarHBondContact O-N 3.05Å; I170-K174 WeakPolarHBondContact O-CA 3.27Å; I170-K174 PolarHBondContact O-N 3.02Å; I170-I177 HydrophobicContact CB-CD1 4.46Å; I170-I177 HydrophobicContact CG2-CD1 4.17Å
171S94.1Very high93.4Very high75 Ų7590.3 Ų90.352%0.52442%0.419SS..Hα-helixtrans-62.8-39.3176.2-63.10000111.8Y166 D168 H169Y166-S171 PolarHBondContact OH-OG 3.41Å; D168-S171 PolarHBondContact O-N 3.46Å; H169-S171 VanDerWaalsContact C-N 3.34Å; H169-S171 PolarHBondContact O-N 3.17Å
172K96.5Very high93.4Very high161 Ų16192.8 Ų92.870%0.743%0.433SS*.Hα-helixtrans-72.9-32.6-179.4-68.8171.4172.3167.70113.2D168 H169 I170D168-K172 PolarHBondContact O-N 2.99Å; D168-K172 WeakPolarHBondContact OD2-CE 3.16Å; D168-K172 IonicContact OD2-NZ 2.93Å; D168-K172 PolarHBondContact OD2-NZ 2.84Å; H169-K172 PolarHBondContact O-N 2.84Å; H169-K172 VanDerWaalsContact O-N 3.16Å; I170-K172 VanDerWaalsContact C-N 3.31Å; I170-K172 PolarHBondContact O-N 3.34Å
173Q95.8Very high92.8Very high90 Ų9099.7 Ų99.742%0.42147%0.47SS..THydrogen-bonded Turntrans-105.211.9-174.5-64.1172.3-3.500113.1H169 I170 E175 E176 I177H169-Q173 WeakPolarHBondContact O-CB 3.31Å; H169-Q173 WeakPolarHBondContact O-CG 3.47Å; H169-Q173 PolarHBondContact O-N 2.78Å; I170-Q173 PolarHBondContact O-N 3.05Å; Q173-E175 VanDerWaalsContact C-N 3.31Å; Q173-E175 PolarHBondContact O-N 3.14Å; Q173-E175 VanDerWaalsContact O-N 3.14Å; Q173-E176 PolarHBondContact O-N 2.82Å; Q173-I177 HydrophobicContact CB-CD1 4.03Å; Q173-I177 HydrophobicContact CB-CG1 4.3Å; Q173-I177 WeakPolarHBondContact O-CG1 3.49Å; Q173-I177 PolarHBondContact O-N 3.32Å
174K94.4Very high93.2Very high136 Ų13697.4 Ų97.459%0.59146%0.464SS*.Hα-helixtrans-46-48.9-173.5180-174.1174.4-172.20114.2I170 R178I170-K174 WeakPolarHBondContact O-CA 3.27Å; I170-K174 PolarHBondContact O-N 3.02Å; K174-R178 WeakPolarHBondContact O-CB 3.41Å; K174-R178 PolarHBondContact O-N 2.81Å
175E95.7Very high93.5Very high126 Ų12698.2 Ų98.259%0.58946%0.462SS*.Hα-helixtrans-69.7-35.2-176.8-62.9-53.3135.900112.3Q173 R179Q173-E175 VanDerWaalsContact C-N 3.31Å; Q173-E175 PolarHBondContact O-N 3.14Å; Q173-E175 VanDerWaalsContact O-N 3.14Å; E175-R179 WeakPolarHBondContact O-CB 3.43Å; E175-R179 PolarHBondContact O-N 3.18Å
176E95.8Very high93.7Very high104 Ų10497.6 Ų97.649%0.48646%0.46SS..Hα-helixtrans-69.6-45.8175.9-179.6166.5-151.500111.3Q173 R178 R179 C180Q173-E176 PolarHBondContact O-N 2.82Å; E176-R178 VanDerWaalsContact C-N 3.29Å; E176-R178 PolarHBondContact O-N 3.13Å; E176-R179 PolarHBondContact O-N 2.69Å; E176-R179 IonicContact OE1-NH2 3.89Å; E176-C180 WeakPolarHBondContact O-CB 3.39Å; E176-C180 PolarHBondContact O-N 3.19Å; E176-C180 PolarHBondContact O-SG 3.08Å
177I95Very high93.7Very high28 Ų2893.8 Ų93.814%0.14445%0.45CS..Hα-helixtrans-55.9-47.9174.7-67.8162.2000110F146 I170 Q173 R179 C180 I181F146-I177 HydrophobicContact CD1-CG2 4.37Å; F146-I177 HydrophobicContact CD2-CG2 4.2Å; F146-I177 HydrophobicContact CE1-CD1 4.3Å; F146-I177 HydrophobicContact CE1-CG2 4.07Å; F146-I177 HydrophobicContact CE2-CD1 4.43Å; F146-I177 HydrophobicContact CE2-CG1 4.41Å; F146-I177 HydrophobicContact CE2-CG2 3.89Å; F146-I177 HydrophobicContact CG-CG2 4.43Å; F146-I177 HydrophobicContact CZ-CD1 3.7Å; F146-I177 HydrophobicContact CZ-CG1 4.15Å; F146-I177 HydrophobicContact CZ-CG2 3.83Å; I170-I177 HydrophobicContact CB-CD1 4.46Å; I170-I177 HydrophobicContact CG2-CD1 4.17Å; Q173-I177 HydrophobicContact CB-CD1 4.03Å; Q173-I177 HydrophobicContact CB-CG1 4.3Å; Q173-I177 WeakPolarHBondContact O-CG1 3.49Å; Q173-I177 PolarHBondContact O-N 3.32Å; I177-R179 PolarHBondContact O-N 3Å; I177-C180 PolarHBondContact O-N 3.34Å; I177-I181 HydrophobicContact CG2-CD1 3.77Å; I177-I181 WeakPolarHBondContact O-CG1 3.4Å; I177-I181 PolarHBondContact O-N 3.14Å; I177-I181 VanDerWaalsContact O-N 3.15Å
178R94.7Very high93.6Very high128 Ų12897.3 Ų97.348%0.48347%0.468SS..Hα-helixtrans-59-48178.1-179.8-173.5168.3122.1-3.6111.5K174 E176 I181 Q182K174-R178 WeakPolarHBondContact O-CB 3.41Å; K174-R178 PolarHBondContact O-N 2.81Å; E176-R178 VanDerWaalsContact C-N 3.29Å; E176-R178 PolarHBondContact O-N 3.13Å; R178-I181 PolarHBondContact O-N 3.08Å; R178-Q182 VanDerWaalsContact O-CG 3.3Å; R178-Q182 WeakPolarHBondContact O-CG 3.44Å; R178-Q182 PolarHBondContact O-N 3.21Å; R178-Q182 VanDerWaalsContact O-N 3.15Å
179R95.2Very high93.5Very high138 Ų13898.8 Ų98.852%0.52147%0.473SS..Hα-helixtrans-60.1-50.4179.7-179-176.763.5179.3-2111.2E175 E176 I177 I181 Q182 D183E175-R179 WeakPolarHBondContact O-CB 3.43Å; E175-R179 PolarHBondContact O-N 3.18Å; E176-R179 PolarHBondContact O-N 2.69Å; E176-R179 IonicContact OE1-NH2 3.89Å; I177-R179 PolarHBondContact O-N 3Å; R179-I181 PolarHBondContact O-N 3.02Å; R179-Q182 PolarHBondContact O-N 3.06Å; R179-D183 WeakPolarHBondContact CG-OD2 3.28Å; R179-D183 VanDerWaalsContact O-CG 3.31Å; R179-D183 PolarHBondContact O-N 3.35Å
180C93.8Very high93.3Very high78 Ų78101.3 Ų101.353%0.52749%0.485SS..Hα-helixtrans-61.6-25.9-179.2-66.90000114.1E176 I177E176-C180 WeakPolarHBondContact O-CB 3.39Å; E176-C180 PolarHBondContact O-N 3.19Å; E176-C180 PolarHBondContact O-SG 3.08Å; I177-C180 PolarHBondContact O-N 3.34Å
181I93.8Very high93.2Very high51 Ų51106.7 Ų106.726%0.26251%0.51SS..Hα-helixtrans-83.5-26.4176.1-70.9168.4000111.7F146 C148 L155 I158 I177 R178 R179F146-I181 HydrophobicContact CB-CD1 4.23Å; F146-I181 HydrophobicContact CD2-CD1 4.44Å; F146-I181 HydrophobicContact CG-CD1 4.37Å; C148-I181 WeakPolarHBondContact SG-CG2 2.93Å; L155-I181 HydrophobicContact CD1-CG2 4.44Å; L155-I181 HydrophobicContact CD2-CG2 3.8Å; I158-I181 HydrophobicContact CD1-CB 4.34Å; I158-I181 HydrophobicContact CD1-CD1 3.86Å; I158-I181 HydrophobicContact CD1-CG2 4.11Å; I158-I181 HydrophobicContact CG1-CD1 4.26Å; I158-I181 HydrophobicContact CG1-CG2 4.35Å; I158-I181 HydrophobicContact CG2-CD1 3.83Å; I177-I181 HydrophobicContact CG2-CD1 3.77Å; I177-I181 WeakPolarHBondContact O-CG1 3.4Å; I177-I181 PolarHBondContact O-N 3.14Å; I177-I181 VanDerWaalsContact O-N 3.15Å; R178-I181 PolarHBondContact O-N 3.08Å; R179-I181 PolarHBondContact O-N 3.02Å
182Q90.3Very high93.1Very high97 Ų97109.3 Ų109.345%0.45351%0.509SS..Hα-helixtrans-88.4-27.4-177.5-73.3-174.5-37.700113.6L155 R178 R179L155-Q182 HydrophobicContact CD2-CG 3.7Å; R178-Q182 VanDerWaalsContact O-CG 3.3Å; R178-Q182 WeakPolarHBondContact O-CG 3.44Å; R178-Q182 PolarHBondContact O-N 3.21Å; R178-Q182 VanDerWaalsContact O-N 3.15Å; R179-Q182 PolarHBondContact O-N 3.06Å
183D76.4Confident92.8Very high175 Ų175104.6 Ų104.694%0.93649%0.492SS*.  trans-76.50177.2-66.5-14.9000112.3R179R179-D183 WeakPolarHBondContact CG-OD2 3.28Å; R179-D183 VanDerWaalsContact O-CG 3.31Å; R179-D183 PolarHBondContact O-N 3.35Å

Retrieved 183 of 183 residues in 66.5 ms (Link to these results)

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