A0A087Y6V9_POEFO Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A087Y6V9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 348 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
1I61.2Low89.3Confident181 Ų18161.1 Ų61.193%0.92831%0.305SS*.  0125.70-61.2167000106.1L6I1-L6 HydrophobicContact CB-CD1 4.28Å; I1-L6 HydrophobicContact CG2-CD1 3.59Å; I1-L6 HydrophobicContact CG2-CD2 3.76Å; I1-L6 HydrophobicContact CG2-CG 3.44Å; I1-L6 VanDerWaalsContact CG2-CG 3.44Å
2L86.1Confident89.7Confident67 Ų6768.8 Ų68.835%0.35133%0.328SS..  trans-72.4131.8-174.9-78.3128000110.8L4 H5 L6 V28L2-L4 VanDerWaalsContact C-N 3.25Å; L2-L4 PolarHBondContact O-N 3.15Å; L2-H5 HydrophobicContact CB-CB 4.12Å; L2-H5 WeakPolarHBondContact CB-ND1 3.48Å; L2-H5 PolarHBondContact O-N 3.3Å; L2-L6 PolarHBondContact O-N 3.47Å; L2-L6 VanDerWaalsContact O-N 3.13Å; L2-V28 HydrophobicContact CD1-CG1 3.72Å; L2-V28 HydrophobicContact CD2-CB 4.27Å; L2-V28 HydrophobicContact CD2-CG1 3.59Å; L2-V28 HydrophobicContact CG-CG1 4.29Å
3P90.7Very high90.1Very high82 Ų8266.3 Ų66.353%0.53232%0.32SS..Hα-helixtrans-56.8-37.7-179-27.235000113.4L6 A7 L19P3-L6 PolarHBondContact O-N 3.28Å; P3-A7 PolarHBondContact O-N 3.5Å; P3-L19 HydrophobicContact CB-CD1 3.9Å; P3-L19 HydrophobicContact CB-CD2 4.13Å
4L92.9Very high90.4Very high8 Ų873.1 Ų73.14%0.04235%0.35CS..Hα-helixtrans-64.6-45.2178.2-165.172.8000111.5L2 L6 A7 A8 L16 L19 L20 A24 D25 S36L2-L4 VanDerWaalsContact C-N 3.25Å; L2-L4 PolarHBondContact O-N 3.15Å; L4-L6 VanDerWaalsContact C-N 3.32Å; L4-L6 PolarHBondContact O-N 2.83Å; L4-A7 PolarHBondContact O-N 3.2Å; L4-A8 WeakPolarHBondContact O-CB 3.43Å; L4-A8 PolarHBondContact O-N 2.99Å; L4-L16 HydrophobicContact CD1-CD1 3.54Å; L4-L16 HydrophobicContact CD1-CG 4.33Å; L4-L16 HydrophobicContact CG-CD1 4.06Å; L4-L19 HydrophobicContact CD1-CB 3.88Å; L4-L19 HydrophobicContact CD1-CD1 4.41Å; L4-L20 HydrophobicContact CD1-CD2 3.79Å; L4-L20 HydrophobicContact CD1-CG 3.99Å; L4-L20 HydrophobicContact CD2-CD2 4.22Å; L4-A24 HydrophobicContact CD1-CB 4.24Å; L4-A24 HydrophobicContact CD2-CB 4.42Å; L4-D25 WeakPolarHBondContact CD2-O 3.28Å; L4-S36 WeakPolarHBondContact CG-OG 3.22Å
5H93.6Very high90.7Very high8 Ų872.4 Ų72.44%0.03736%0.356CS..Hα-helixtrans-62-36.5176.2-66.576.9000112.7L2 T9 V28 R34 S36 L39L2-H5 HydrophobicContact CB-CB 4.12Å; L2-H5 WeakPolarHBondContact CB-ND1 3.48Å; L2-H5 PolarHBondContact O-N 3.3Å; H5-T9 WeakPolarHBondContact O-CB 3.42Å; H5-T9 PolarHBondContact O-N 3.32Å; H5-T9 PolarHBondContact O-OG1 3.21Å; H5-V28 PolarHBondContact CE1-O 3.35Å; H5-V28 PolarHBondContact NE2-O 3.47Å; H5-R34 PolarHBondContact NE2-O 2.98Å; H5-R34 VanDerWaalsContact NE2-O 3.12Å; H5-S36 PolarHBondContact N-OG 2.9Å; H5-L39 HydrophobicContact CB-CD1 3.48Å; H5-L39 VanDerWaalsContact CB-CD1 3.48Å; H5-L39 VanDerWaalsContact CD2-CD1 3.41Å; H5-L39 WeakPolarHBondContact CD2-CD1 3.48Å
6L92.8Very high90.9Very high69 Ų6967.9 Ų67.936%0.36133%0.334SS..Hα-helixtrans-66.7-46.7173.9-76.3166.6000111.6I1 L2 P3 L4 A8 T9 Y10I1-L6 HydrophobicContact CB-CD1 4.28Å; I1-L6 HydrophobicContact CG2-CD1 3.59Å; I1-L6 HydrophobicContact CG2-CD2 3.76Å; I1-L6 HydrophobicContact CG2-CG 3.44Å; I1-L6 VanDerWaalsContact CG2-CG 3.44Å; L2-L6 PolarHBondContact O-N 3.47Å; L2-L6 VanDerWaalsContact O-N 3.13Å; P3-L6 PolarHBondContact O-N 3.28Å; L4-L6 VanDerWaalsContact C-N 3.32Å; L4-L6 PolarHBondContact O-N 2.83Å; L6-A8 VanDerWaalsContact C-N 3.26Å; L6-A8 PolarHBondContact O-N 3.33Å; L6-T9 PolarHBondContact O-N 3.46Å; L6-Y10 HydrophobicContact CD2-CD2 4.36Å; L6-Y10 HydrophobicContact CD2-CE2 3.84Å; L6-Y10 VanDerWaalsContact O-CD2 3.29Å; L6-Y10 WeakPolarHBondContact O-CD2 3.3Å; L6-Y10 PolarHBondContact O-N 2.98Å
7A94Very high91.1Very high6 Ų667.2 Ų67.25%0.0533%0.33CS..Hα-helixtrans-59.6-40.1177.200000111.5P3 L4 R11 R12 L16 L19P3-A7 PolarHBondContact O-N 3.5Å; L4-A7 PolarHBondContact O-N 3.2Å; A7-R11 PolarHBondContact O-N 3.18Å; A7-R11 VanDerWaalsContact O-N 3.08Å; A7-R12 HydrophobicContact CB-CB 4.49Å; A7-R12 PolarHBondContact O-N 2.89Å; A7-L16 HydrophobicContact CB-CB 4.09Å; A7-L16 HydrophobicContact CB-CD1 3.83Å; A7-L19 HydrophobicContact CB-CD1 4.18Å
8A93.6Very high91.4Very high0 Ų067.9 Ų67.90%034%0.343CS..Hα-helixtrans-63.1-51.9173.700000112.6L4 L6 Y10 R11 L16 S36 L39 V40L4-A8 WeakPolarHBondContact O-CB 3.43Å; L4-A8 PolarHBondContact O-N 2.99Å; L6-A8 VanDerWaalsContact C-N 3.26Å; L6-A8 PolarHBondContact O-N 3.33Å; A8-Y10 VanDerWaalsContact C-N 3.33Å; A8-Y10 PolarHBondContact O-N 2.86Å; A8-R11 PolarHBondContact O-N 3.36Å; A8-R11 VanDerWaalsContact O-N 3.09Å; A8-L16 HydrophobicContact CB-CD1 4.33Å; A8-S36 WeakPolarHBondContact CB-O 3.36Å; A8-L39 HydrophobicContact CB-CB 4.37Å; A8-V40 HydrophobicContact CB-CG2 3.72Å
9T92.9Very high91.5Very high36 Ų3667.1 Ų67.122%0.22134%0.339CS..Hα-helixtrans-56.8-44.7-179.3-60.10000112H5 L6 R11H5-T9 WeakPolarHBondContact O-CB 3.42Å; H5-T9 PolarHBondContact O-N 3.32Å; H5-T9 PolarHBondContact O-OG1 3.21Å; L6-T9 PolarHBondContact O-N 3.46Å; T9-R11 VanDerWaalsContact C-N 3.34Å
10Y91.7Very high91.6Very high149 Ų14964.2 Ų64.258%0.58432%0.324SS*.THydrogen-bonded Turntrans-90.46.5-179.2-66.3-70.8000114L6 A8 R12L6-Y10 HydrophobicContact CD2-CD2 4.36Å; L6-Y10 HydrophobicContact CD2-CE2 3.84Å; L6-Y10 VanDerWaalsContact O-CD2 3.29Å; L6-Y10 WeakPolarHBondContact O-CD2 3.3Å; L6-Y10 PolarHBondContact O-N 2.98Å; A8-Y10 VanDerWaalsContact C-N 3.33Å; A8-Y10 PolarHBondContact O-N 2.86Å; Y10-R12 PolarHBondContact O-N 3.43Å
11R93.2Very high91.7Very high66 Ų6665.2 Ų65.225%0.24934%0.337CS..THydrogen-bonded Turntrans55.937.2177.5-54.7165.2-66.8-157.33.2112.8A7 A8 T9 V13 N43 Q65 A66A7-R11 PolarHBondContact O-N 3.18Å; A7-R11 VanDerWaalsContact O-N 3.08Å; A8-R11 PolarHBondContact O-N 3.36Å; A8-R11 VanDerWaalsContact O-N 3.09Å; T9-R11 VanDerWaalsContact C-N 3.34Å; R11-V13 PolarHBondContact O-N 3.49Å; R11-V13 VanDerWaalsContact O-N 3.14Å; R11-N43 PolarHBondContact NH1-O 3.13Å; R11-Q65 HydrophobicContact CB-CB 4.07Å; R11-A66 HydrophobicContact CG-CB 4.26Å
12R94.1Very high93.3Very high154 Ų15460.6 Ų60.658%0.58133%0.326SS*.  trans-84.582.1-179.1-60.9-62.5-174171.40.8110.1A7 Y10 H14 S15 L16A7-R12 HydrophobicContact CB-CB 4.49Å; A7-R12 PolarHBondContact O-N 2.89Å; Y10-R12 PolarHBondContact O-N 3.43Å; R12-H14 PolarHBondContact O-N 3.13Å; R12-S15 PolarHBondContact O-N 3.04Å; R12-L16 WeakPolarHBondContact O-CB 3.16Å; R12-L16 PolarHBondContact O-N 3.17Å
13V94.5Very high93.5Very high36 Ų3660.6 Ų60.622%0.21834%0.343CS..Hα-helixtrans-51.2-49.9-175-174.30000112.8R11 L16 Q17 Q65 A68 L72R11-V13 PolarHBondContact O-N 3.49Å; R11-V13 VanDerWaalsContact O-N 3.14Å; V13-L16 PolarHBondContact O-N 3.4Å; V13-Q17 WeakPolarHBondContact O-CB 3.41Å; V13-Q17 PolarHBondContact O-N 3.23Å; V13-Q65 HydrophobicContact CG2-CB 4.17Å; V13-Q65 HydrophobicContact CG2-CG 4.29Å; V13-A68 HydrophobicContact CG1-CB 4.14Å; V13-A68 HydrophobicContact CG2-CB 3.95Å; V13-L72 HydrophobicContact CG1-CD1 3.7Å
14H94.6Very high93.6Very high161 Ų16158.3 Ų58.375%0.74533%0.331SS*.Hα-helixtrans-66-44.7-178.4-65.7-65.1000112.9R12 L16 Q17 S18R12-H14 PolarHBondContact O-N 3.13Å; H14-L16 VanDerWaalsContact C-N 3.29Å; H14-L16 PolarHBondContact O-N 2.89Å; H14-Q17 PolarHBondContact O-N 2.65Å; H14-S18 PolarHBondContact O-N 3.38Å; H14-S18 PolarHBondContact O-OG 2.99Å
15S94.2Very high93.5Very high63 Ų6362.5 Ų62.544%0.44135%0.353SS..Hα-helixtrans-62.6-40.2176.7-51.80000111.3R12 S18 L19R12-S15 PolarHBondContact O-N 3.04Å; S15-S18 PolarHBondContact O-N 3.35Å; S15-L19 WeakPolarHBondContact O-CB 3.28Å; S15-L19 WeakPolarHBondContact O-CG 3.44Å; S15-L19 PolarHBondContact O-N 3.31Å
16L94.5Very high93.5Very high0 Ų062.7 Ų62.70%036%0.355CS..Hα-helixtrans-61.9-48.6175.4-16576.5000110.7L4 A7 A8 R12 V13 H14 S18 L19 L20 C69 L73L4-L16 HydrophobicContact CD1-CD1 3.54Å; L4-L16 HydrophobicContact CD1-CG 4.33Å; L4-L16 HydrophobicContact CG-CD1 4.06Å; A7-L16 HydrophobicContact CB-CB 4.09Å; A7-L16 HydrophobicContact CB-CD1 3.83Å; A8-L16 HydrophobicContact CB-CD1 4.33Å; R12-L16 WeakPolarHBondContact O-CB 3.16Å; R12-L16 PolarHBondContact O-N 3.17Å; V13-L16 PolarHBondContact O-N 3.4Å; H14-L16 VanDerWaalsContact C-N 3.29Å; H14-L16 PolarHBondContact O-N 2.89Å; L16-S18 PolarHBondContact O-N 3.45Å; L16-L19 PolarHBondContact O-N 2.88Å; L16-L20 HydrophobicContact CG-CD1 4.11Å; L16-L20 WeakPolarHBondContact O-CB 3.26Å; L16-L20 VanDerWaalsContact O-CG 3.23Å; L16-L20 WeakPolarHBondContact O-CG 3.29Å; L16-L20 PolarHBondContact O-N 2.91Å; L16-C69 HydrophobicContact CD2-CB 3.71Å; L16-L73 HydrophobicContact CD1-CD2 4.41Å; L16-L73 HydrophobicContact CD2-CD1 4.49Å; L16-L73 HydrophobicContact CD2-CD2 4.32Å; L16-L73 HydrophobicContact CD2-CG 4.09Å
17Q94.9Very high93.5Very high57 Ų5762.5 Ų62.527%0.26635%0.352SS..Hα-helixtrans-57.7-47.5177.2-177.159.149.800112.1V13 H14 L19 L20 S21 L72V13-Q17 WeakPolarHBondContact O-CB 3.41Å; V13-Q17 PolarHBondContact O-N 3.23Å; H14-Q17 PolarHBondContact O-N 2.65Å; Q17-L19 VanDerWaalsContact C-N 3.33Å; Q17-L19 PolarHBondContact O-N 2.88Å; Q17-L20 PolarHBondContact O-N 3.42Å; Q17-S21 PolarHBondContact NE2-OG 3.31Å; Q17-S21 WeakPolarHBondContact O-CB 3.45Å; Q17-S21 PolarHBondContact O-N 2.99Å; Q17-S21 PolarHBondContact O-OG 3.45Å; Q17-L72 HydrophobicContact CB-CD1 4.15Å
18S95.3Very high93.4Very high80 Ų8064.3 Ų64.356%0.55936%0.362SS*.Hα-helixtrans-61.6-41179.2-64.40000112.3H14 S15 L16 A22H14-S18 PolarHBondContact O-N 3.38Å; H14-S18 PolarHBondContact O-OG 2.99Å; S15-S18 PolarHBondContact O-N 3.35Å; L16-S18 PolarHBondContact O-N 3.45Å; S18-A22 WeakPolarHBondContact O-CB 3.34Å; S18-A22 PolarHBondContact O-N 3.06Å
19L94.7Very high93.3Very high52 Ų5267.6 Ų67.627%0.27238%0.376SS..Hα-helixtrans-66.7-42.9177.1-70.3169.4000111.7P3 L4 A7 S15 L16 Q17 A22 G23 A24P3-L19 HydrophobicContact CB-CD1 3.9Å; P3-L19 HydrophobicContact CB-CD2 4.13Å; L4-L19 HydrophobicContact CD1-CB 3.88Å; L4-L19 HydrophobicContact CD1-CD1 4.41Å; A7-L19 HydrophobicContact CB-CD1 4.18Å; S15-L19 WeakPolarHBondContact O-CB 3.28Å; S15-L19 WeakPolarHBondContact O-CG 3.44Å; S15-L19 PolarHBondContact O-N 3.31Å; L16-L19 PolarHBondContact O-N 2.88Å; Q17-L19 VanDerWaalsContact C-N 3.33Å; Q17-L19 PolarHBondContact O-N 2.88Å; L19-A22 PolarHBondContact O-N 3.24Å; L19-G23 PolarHBondContact O-N 3.32Å; L19-A24 HydrophobicContact CB-CB 4.16Å; L19-A24 WeakPolarHBondContact O-CB 3.36Å; L19-A24 PolarHBondContact O-N 3.46Å
20L93.6Very high93.2Very high9 Ų967.5 Ų67.55%0.04738%0.375CS..Hα-helixtrans-64.3-44.7177.5-68.5174.1000111.8L4 L16 Q17 A22 G23 V26 L72 L73 H76L4-L20 HydrophobicContact CD1-CD2 3.79Å; L4-L20 HydrophobicContact CD1-CG 3.99Å; L4-L20 HydrophobicContact CD2-CD2 4.22Å; L16-L20 HydrophobicContact CG-CD1 4.11Å; L16-L20 WeakPolarHBondContact O-CB 3.26Å; L16-L20 VanDerWaalsContact O-CG 3.23Å; L16-L20 WeakPolarHBondContact O-CG 3.29Å; L16-L20 PolarHBondContact O-N 2.91Å; Q17-L20 PolarHBondContact O-N 3.42Å; L20-A22 PolarHBondContact O-N 3.3Å; L20-G23 PolarHBondContact O-N 3.44Å; L20-V26 HydrophobicContact CD2-CG1 3.32Å; L20-L72 HydrophobicContact CD1-CB 4.26Å; L20-L73 HydrophobicContact CD1-CD2 4.31Å; L20-L73 HydrophobicContact CD2-CD2 4.34Å; L20-H76 HydrophobicContact CD1-CB 4.3Å; L20-H76 HydrophobicContact CD2-CB 4.22Å
21S93.5Very high93Very high85 Ų8570.7 Ų70.759%0.59439%0.392SS*.Hα-helixtrans-63.8-26174.7-67.90000113.3Q17 G23Q17-S21 PolarHBondContact NE2-OG 3.31Å; Q17-S21 WeakPolarHBondContact O-CB 3.45Å; Q17-S21 PolarHBondContact O-N 2.99Å; Q17-S21 PolarHBondContact O-OG 3.45Å; S21-G23 PolarHBondContact O-N 2.98Å
22A93.5Very high92.7Very high85 Ų8572.7 Ų72.770%0.70241%0.407SS*.THydrogen-bonded Turntrans-81.53.9173.400000113.7S18 L19 L20S18-A22 WeakPolarHBondContact O-CB 3.34Å; S18-A22 PolarHBondContact O-N 3.06Å; L19-A22 PolarHBondContact O-N 3.24Å; L20-A22 PolarHBondContact O-N 3.3Å
23G91.1Very high92.4Very high67 Ų6765.6 Ų65.669%0.69138%0.381SS*.THydrogen-bonded Turntrans85.122.4178.500000114.5L19 L20 S21 D25L19-G23 PolarHBondContact O-N 3.32Å; L20-G23 PolarHBondContact O-N 3.44Å; S21-G23 PolarHBondContact O-N 2.98Å; G23-D25 PolarHBondContact O-N 2.93Å
24A92.6Very high92.3Very high34 Ų3467 Ų6728%0.28138%0.383SS..  trans-62.2127.3172.800000110.8L4 L19 V26L4-A24 HydrophobicContact CD1-CB 4.24Å; L4-A24 HydrophobicContact CD2-CB 4.42Å; L19-A24 HydrophobicContact CB-CB 4.16Å; L19-A24 WeakPolarHBondContact O-CB 3.36Å; L19-A24 PolarHBondContact O-N 3.46Å; A24-V26 PolarHBondContact O-N 2.99Å
25D91.3Very high92.3Very high95 Ų9559.3 Ų59.351%0.50835%0.347SS..  trans-67.6122177.8177.110000111.1L4 G23 Q27 V28L4-D25 WeakPolarHBondContact CD2-O 3.28Å; G23-D25 PolarHBondContact O-N 2.93Å; D25-Q27 VanDerWaalsContact C-N 3.34Å; D25-Q27 WeakPolarHBondContact OD1-CB 3.39Å; D25-Q27 PolarHBondContact OD1-N 2.94Å; D25-V28 HydrophobicContact CB-CG2 3.66Å; D25-V28 WeakPolarHBondContact OD2-CG2 3.39Å
26V92.4Very high92.2Very high12 Ų1256.3 Ų56.37%0.07333%0.326CS..THydrogen-bonded Turntrans-77.5-20.8-176.6-51.40000113.1L20 A24 H76 A78L20-V26 HydrophobicContact CD2-CG1 3.32Å; A24-V26 PolarHBondContact O-N 2.99Å; V26-H76 HydrophobicContact CG1-CB 4.2Å; V26-A78 HydrophobicContact CB-CB 4.33Å; V26-A78 HydrophobicContact CG2-CB 4.1Å
27Q92.9Very high92.3Very high65 Ų6556.4 Ų56.430%0.30433%0.327SS..THydrogen-bonded Turntrans-90.3-8.2-174.1-55.5-61.9-6.600112.8D25 K29 G77D25-Q27 VanDerWaalsContact C-N 3.34Å; D25-Q27 WeakPolarHBondContact OD1-CB 3.39Å; D25-Q27 PolarHBondContact OD1-N 2.94Å; Q27-K29 PolarHBondContact O-N 3.48Å; Q27-G77 PolarHBondContact NE2-O 2.9Å
28V92.8Very high92.2Very high44 Ų4453.7 Ų53.727%0.26731%0.314SS..  trans-57.4129.1-179-176.40000110.1L2 H5 D25L2-V28 HydrophobicContact CD1-CG1 3.72Å; L2-V28 HydrophobicContact CD2-CB 4.27Å; L2-V28 HydrophobicContact CD2-CG1 3.59Å; L2-V28 HydrophobicContact CG-CG1 4.29Å; H5-V28 PolarHBondContact CE1-O 3.35Å; H5-V28 PolarHBondContact NE2-O 3.47Å; D25-V28 HydrophobicContact CB-CG2 3.66Å; D25-V28 WeakPolarHBondContact OD2-CG2 3.39Å
29K91.3Very high92.2Very high69 Ų6950.3 Ų50.330%0.329%0.29SS..  trans-95.1142.8175.7-62.5-172.1-177-1650110.5Q27 R34 T35 Q83 D85Q27-K29 PolarHBondContact O-N 3.48Å; K29-R34 CarbonylContact C-O 3.54Å; K29-R34 WeakPolarHBondContact CA-O 3.26Å; K29-T35 HydrophobicContact CG-CG2 3.92Å; K29-Q83 PolarHBondContact NZ-O 3.01Å; K29-D85 WeakPolarHBondContact CD-OD2 3.33Å; K29-D85 IonicContact NZ-OD1 2.89Å; K29-D85 PolarHBondContact NZ-OD1 3.21Å; K29-D85 IonicContact NZ-OD2 2.82Å; K29-D85 PolarHBondContact NZ-OD2 3.5Å
30D90.8Very high92.2Very high34 Ų3447.8 Ų47.818%0.18228%0.277CS..  trans-77.1-177.3170.674.21.3000111.5L32 G33 R34D30-L32 PolarHBondContact O-N 3.11Å; D30-L32 WeakPolarHBondContact OD1-CA 3.19Å; D30-L32 PolarHBondContact OD1-N 2.86Å; D30-G33 PolarHBondContact O-N 2.87Å; D30-G33 PolarHBondContact OD1-N 3.2Å; D30-R34 PolarHBondContact N-O 3.44Å; D30-R34 WeakPolarHBondContact OD1-CB 3.39Å; D30-R34 PolarHBondContact OD1-N 3.01Å; D30-R34 IonicContact OD1-NE 2.68Å; D30-R34 IonicContact OD2-CZ 3.93Å; D30-R34 IonicContact OD2-NE 3.7Å; D30-R34 PolarHBondContact OD2-NE 3.28Å; D30-R34 IonicContact OD2-NH2 3.49Å; D30-R34 PolarHBondContact OD2-NH2 2.63Å
31K88.2Confident92.2Very high217 Ų21747.4 Ų47.494%0.94327%0.274SS*.THydrogen-bonded Turntrans-60.7-15179.1-65.7-173.5176.6-173.60114.3
32L85.4Confident92.2Very high108 Ų10845 Ų4557%0.56526%0.255SS*.THydrogen-bonded Turntrans-103.612.6178-57.5-175.9000111.6D30 R34D30-L32 PolarHBondContact O-N 3.11Å; D30-L32 WeakPolarHBondContact OD1-CA 3.19Å; D30-L32 PolarHBondContact OD1-N 2.86Å; L32-R34 VanDerWaalsContact C-N 3.34Å; L32-R34 HydrophobicContact CB-CG 4.22Å; L32-R34 PolarHBondContact O-N 2.87Å
33G88.7Confident92.1Very high5 Ų543.8 Ų43.85%0.05224%0.236CC..SBendtrans75.220.717900000114.1D30 D85D30-G33 PolarHBondContact O-N 2.87Å; D30-G33 PolarHBondContact OD1-N 3.2Å; G33-D85 WeakPolarHBondContact CA-OD2 3.23Å; G33-D85 PolarHBondContact O-N 3.35Å
34R92.3Very high92.1Very high64 Ų6441.5 Ų41.524%0.24221%0.207CC..  trans-104.3131.4-174.5-54.5174.7-59.8-175.63111.5H5 K29 D30 L32 H38 L39 M84H5-R34 PolarHBondContact NE2-O 2.98Å; H5-R34 VanDerWaalsContact NE2-O 3.12Å; K29-R34 CarbonylContact C-O 3.54Å; K29-R34 WeakPolarHBondContact CA-O 3.26Å; D30-R34 PolarHBondContact N-O 3.44Å; D30-R34 WeakPolarHBondContact OD1-CB 3.39Å; D30-R34 PolarHBondContact OD1-N 3.01Å; D30-R34 IonicContact OD1-NE 2.68Å; D30-R34 IonicContact OD2-CZ 3.93Å; D30-R34 IonicContact OD2-NE 3.7Å; D30-R34 PolarHBondContact OD2-NE 3.28Å; D30-R34 IonicContact OD2-NH2 3.49Å; D30-R34 PolarHBondContact OD2-NH2 2.63Å; L32-R34 VanDerWaalsContact C-N 3.34Å; L32-R34 HydrophobicContact CB-CG 4.22Å; L32-R34 PolarHBondContact O-N 2.87Å; R34-H38 HydrophobicContact CB-CB 4.04Å; R34-L39 HydrophobicContact CB-CD2 4.42Å; R34-M84 HydrophobicContact CG-CG 4.48Å; R34-M84 HydrophobicContact CG-SD 4.01Å
35T94.1Very high91.8Very high1 Ų140.7 Ų40.71%0.00620%0.199CC..  trans-79.2168.2170.561.60000110.9K29 L37 H38 L39 T82K29-T35 HydrophobicContact CG-CG2 3.92Å; T35-L37 PolarHBondContact O-N 3.46Å; T35-L37 WeakPolarHBondContact OG1-CB 3.47Å; T35-L37 PolarHBondContact OG1-N 2.94Å; T35-H38 PolarHBondContact N-ND1 3.12Å; T35-H38 PolarHBondContact O-N 3.41Å; T35-H38 PolarHBondContact OG1-N 2.84Å; T35-H38 PolarHBondContact OG1-ND1 2.83Å; T35-L39 PolarHBondContact O-N 2.82Å; T35-T82 HydrophobicContact CG2-CG2 3.94Å
36S93.6Very high91Very high0 Ų040.5 Ų40.50%020%0.197CC..Hα-helixtrans-58.4-31.5171.8-70.10000112L4 H5 A8 L39 V40L4-S36 WeakPolarHBondContact CG-OG 3.22Å; H5-S36 PolarHBondContact N-OG 2.9Å; A8-S36 WeakPolarHBondContact CB-O 3.36Å; S36-L39 PolarHBondContact O-N 3.36Å; S36-V40 WeakPolarHBondContact O-CG2 3.47Å; S36-V40 PolarHBondContact O-N 3.27Å; S36-V40 VanDerWaalsContact O-N 3.16Å
37L94.6Very high89.7Confident2 Ų244.3 Ų44.31%0.0122%0.22CC..Hα-helixtrans-61.5-47.6175.1-166.383.3000111.8T35 L39 V40 I41 L70 L73 A78 D79 T82 P92T35-L37 PolarHBondContact O-N 3.46Å; T35-L37 WeakPolarHBondContact OG1-CB 3.47Å; T35-L37 PolarHBondContact OG1-N 2.94Å; L37-L39 VanDerWaalsContact C-N 3.32Å; L37-L39 PolarHBondContact O-N 2.83Å; L37-V40 PolarHBondContact O-N 3.43Å; L37-I41 PolarHBondContact O-N 3.2Å; L37-L70 HydrophobicContact CD1-CD1 3.49Å; L37-L70 VanDerWaalsContact CD1-CD1 3.49Å; L37-L70 HydrophobicContact CG-CD1 4.12Å; L37-L73 HydrophobicContact CB-CD1 4.5Å; L37-L73 HydrophobicContact CD1-CB 4Å; L37-L73 HydrophobicContact CD1-CD1 4.31Å; L37-A78 HydrophobicContact CD1-CB 4.13Å; L37-D79 WeakPolarHBondContact CD2-O 3.34Å; L37-T82 HydrophobicContact CD2-CG2 4.45Å; L37-P92 HydrophobicContact CD2-CB 3.82Å; L37-P92 HydrophobicContact CD2-CG 3.27Å; L37-P92 HydrophobicContact CG-CB 4.42Å; L37-P92 HydrophobicContact CG-CG 4.16Å
38H94.6Very high88Confident0 Ų046.5 Ų46.50%024%0.238CC..Hα-helixtrans-58.1-44.1174.9-67.3138000111.8R34 T35 V40 I41 I42 T82 P92 L95R34-H38 HydrophobicContact CB-CB 4.04Å; T35-H38 PolarHBondContact N-ND1 3.12Å; T35-H38 PolarHBondContact O-N 3.41Å; T35-H38 PolarHBondContact OG1-N 2.84Å; T35-H38 PolarHBondContact OG1-ND1 2.83Å; H38-V40 PolarHBondContact O-N 2.98Å; H38-I41 PolarHBondContact O-N 3.5Å; H38-I42 HydrophobicContact CB-CD1 4.41Å; H38-I42 VanDerWaalsContact O-CG1 3.31Å; H38-I42 WeakPolarHBondContact O-CG1 3.4Å; H38-I42 PolarHBondContact O-N 3.18Å; H38-T82 PolarHBondContact NE2-O 2.7Å; H38-P92 WeakPolarHBondContact NE2-CD 3.25Å; H38-L95 HydrophobicContact CB-CD1 4.21Å
39L94.1Very high86.1Confident8 Ų846.8 Ų46.84%0.04224%0.24CC..Hα-helixtrans-66.2-35.7-176.6-66.7180000113.5H5 A8 R34 T35 S36 L37 I41 N43H5-L39 HydrophobicContact CB-CD1 3.48Å; H5-L39 VanDerWaalsContact CB-CD1 3.48Å; H5-L39 VanDerWaalsContact CD2-CD1 3.41Å; H5-L39 WeakPolarHBondContact CD2-CD1 3.48Å; A8-L39 HydrophobicContact CB-CB 4.37Å; R34-L39 HydrophobicContact CB-CD2 4.42Å; T35-L39 PolarHBondContact O-N 2.82Å; S36-L39 PolarHBondContact O-N 3.36Å; L37-L39 VanDerWaalsContact C-N 3.32Å; L37-L39 PolarHBondContact O-N 2.83Å; L39-I41 VanDerWaalsContact C-N 3.27Å; L39-I41 PolarHBondContact O-N 3.28Å; L39-N43 PolarHBondContact O-N 3.23Å; L39-N43 PolarHBondContact O-ND2 3.25Å
40V95Very high84.6Confident0 Ų051.8 Ų51.80%026%0.262CS..Hα-helixtrans-60.4-40.9174.2174.20000110.8A8 S36 L37 H38 N43 W44 A66 C69 L70 L73A8-V40 HydrophobicContact CB-CG2 3.72Å; S36-V40 WeakPolarHBondContact O-CG2 3.47Å; S36-V40 PolarHBondContact O-N 3.27Å; S36-V40 VanDerWaalsContact O-N 3.16Å; L37-V40 PolarHBondContact O-N 3.43Å; H38-V40 PolarHBondContact O-N 2.98Å; V40-N43 CarbonylContact O-C 3.48Å; V40-W44 PolarHBondContact O-N 3.14Å; V40-A66 HydrophobicContact CG1-CB 4.34Å; V40-A66 WeakPolarHBondContact CG1-O 3.36Å; V40-C69 HydrophobicContact CG1-CB 4.22Å; V40-C69 HydrophobicContact CG2-CB 3.96Å; V40-L70 HydrophobicContact CG1-CB 4.14Å; V40-L73 HydrophobicContact CG2-CD1 3.79Å
41I94.6Very high83.1Confident0 Ų054.6 Ų54.60%028%0.282CS..Hα-helixtrans-77.3-40.1-176.3-60.4166.4000111.3L37 H38 L39 N43 W44 L70 P92 L95 Y99 L108L37-I41 PolarHBondContact O-N 3.2Å; H38-I41 PolarHBondContact O-N 3.5Å; L39-I41 VanDerWaalsContact C-N 3.27Å; L39-I41 PolarHBondContact O-N 3.28Å; I41-N43 PolarHBondContact O-N 3.36Å; I41-W44 WeakPolarHBondContact O-CB 3.08Å; I41-W44 PolarHBondContact O-N 3.39Å; I41-L70 HydrophobicContact CD1-CD1 4.14Å; I41-L70 HydrophobicContact CG1-CD1 4.09Å; I41-P92 HydrophobicContact CD1-CB 3.55Å; I41-L95 HydrophobicContact CB-CB 4.43Å; I41-L95 HydrophobicContact CG2-CB 3.62Å; I41-Y99 HydrophobicContact CG2-CD2 4.39Å; I41-L108 HydrophobicContact CD1-CD1 3.83Å
42I92.7Very high81.9Confident35 Ų3549.8 Ų49.818%0.17928%0.276CS..Hα-helixtrans-59.7-35.3175.7-71.6165.4000111.4H38 W44 L95 Y99H38-I42 HydrophobicContact CB-CD1 4.41Å; H38-I42 VanDerWaalsContact O-CG1 3.31Å; H38-I42 WeakPolarHBondContact O-CG1 3.4Å; H38-I42 PolarHBondContact O-N 3.18Å; I42-W44 VanDerWaalsContact C-N 3.31Å; I42-L95 HydrophobicContact CD1-CD1 4.31Å; I42-L95 HydrophobicContact CG1-CD1 4.12Å; I42-Y99 HydrophobicContact CB-CE2 4.24Å; I42-Y99 HydrophobicContact CG1-CE2 3.95Å
43N91.6Very high81.2Confident60 Ų6047.5 Ų47.532%0.32127%0.269SS..THydrogen-bonded Turntrans-96.323178.3-63.1-78.6000112.8R11 L39 V40 I41R11-N43 PolarHBondContact NH1-O 3.13Å; L39-N43 PolarHBondContact O-N 3.23Å; L39-N43 PolarHBondContact O-ND2 3.25Å; V40-N43 CarbonylContact O-C 3.48Å; I41-N43 PolarHBondContact O-N 3.36Å
44W91Very high80.5Confident18 Ų1856.8 Ų56.87%0.06831%0.308CS..PPolyproline II helixtrans-66.7130.3177.4-163.3-86.6000110.3V40 I41 I42 I46 A66 K67 L70 A101 A104V40-W44 PolarHBondContact O-N 3.14Å; I41-W44 WeakPolarHBondContact O-CB 3.08Å; I41-W44 PolarHBondContact O-N 3.39Å; I42-W44 VanDerWaalsContact C-N 3.31Å; W44-I46 PolarHBondContact O-N 2.67Å; W44-A66 HydrophobicContact CD2-CB 4.11Å; W44-A66 HydrophobicContact CE3-CB 3.53Å; W44-A66 HydrophobicContact CH2-CB 4.05Å; W44-A66 HydrophobicContact CZ3-CB 3.5Å; W44-K67 HydrophobicContact CH2-CB 3.9Å; W44-L70 HydrophobicContact CZ3-CD2 4.29Å; W44-A101 HydrophobicContact CB-CB 4.27Å; W44-A101 HydrophobicContact CD2-CB 3.8Å; W44-A101 HydrophobicContact CG-CB 3.56Å; W44-A104 HydrophobicContact CD2-CB 4.39Å; W44-A104 HydrophobicContact CE3-CB 4.08Å; W44-A104 HydrophobicContact CH2-CB 3.97Å; W44-A104 HydrophobicContact CZ2-CB 4.31Å; W44-A104 HydrophobicContact CZ3-CB 3.86Å
45P86.1Confident79.7Confident17 Ų1759.4 Ų59.411%0.1132%0.321CS..PPolyproline II helixtrans-68.2125.1179.728.2-34.3000110.8T47 V59 A62 S63P45-T47 PolarHBondContact O-N 2.97Å; P45-V59 HydrophobicContact CB-CG1 4.32Å; P45-A62 HydrophobicContact CB-CB 4.09Å; P45-A62 HydrophobicContact CG-CB 3.95Å; P45-S63 VanDerWaalsContact CG-OG 3.24Å; P45-S63 WeakPolarHBondContact CG-OG 3.36Å
46I74.4Confident79.1Confident92 Ų9264.8 Ų64.847%0.47234%0.341SS..PPolyproline II helixtrans-78.9122.4-179.4-55172.4000109W44 T48W44-I46 PolarHBondContact O-N 2.67Å; I46-T48 HydrophobicContact CG2-CG2 3.57Å; I46-T48 PolarHBondContact O-N 3.5Å
47T64.4Low78.6Confident91 Ų9167.6 Ų67.656%0.55836%0.364SS*.  trans-91.971.6179.955.70000110.7P45 V59P45-T47 PolarHBondContact O-N 2.97Å; T47-V59 HydrophobicContact CG2-CG1 3.79Å
48T58.1Low78.2Confident112 Ų11270.2 Ų70.269%0.68739%0.386SS*.  trans-96.8-6.8175.6500000113.5I46I46-T48 HydrophobicContact CG2-CG2 3.57Å; I46-T48 PolarHBondContact O-N 3.5Å
49T52.5Low77.7Confident50 Ų5070.8 Ų70.831%0.30739%0.39SS..SBendtrans-104.2138-171.261.90000112.8F55T49-F55 HydrophobicContact CG2-CD1 3.89Å; T49-F55 HydrophobicContact CG2-CE1 3.79Å
50K59Low77.3Confident174 Ų17471.5 Ų71.576%0.75740%0.397SS*.  trans-52.6146.5174.3-72.5178.7178.3178.50112.3S52K50-S52 PolarHBondContact O-N 2.97Å
51P60.3Low77Confident93 Ų9378.3 Ų78.360%0.60442%0.423SS*.THydrogen-bonded Turntrans-67-5.1-173.423.5-32.1000116.5S53 W56P51-S53 PolarHBondContact O-N 2.85Å; P51-W56 HydrophobicContact CB-CD2 4.11Å; P51-W56 HydrophobicContact CB-CG 4.21Å; P51-W56 HydrophobicContact CB-CZ2 4.43Å
52S63.2Low76.7Confident116 Ų11678.8 Ų78.881%0.81143%0.427SS*.THydrogen-bonded Turntrans-84.5-1.8-173.158.60000115.6K50K50-S52 PolarHBondContact O-N 2.97Å
53S70.1Confident76.5Confident60 Ų6078.2 Ų78.242%0.4243%0.426SS..SBendtrans-100.4147.4-177.1178.60000112.6P51 F55 W56P51-S53 PolarHBondContact O-N 2.85Å; S53-F55 PolarHBondContact O-N 3.45Å; S53-F55 VanDerWaalsContact O-N 3.08Å; S53-F55 WeakPolarHBondContact OG-CB 3.4Å; S53-F55 PolarHBondContact OG-N 2.96Å; S53-F55 VanDerWaalsContact OG-N 3.14Å; S53-W56 VanDerWaalsContact O-CB 3.27Å; S53-W56 WeakPolarHBondContact O-CB 3.26Å; S53-W56 PolarHBondContact O-N 3.22Å
54K74.1Confident76.5Confident200 Ų20083.7 Ų83.787%0.8744%0.442SS*.Hα-helixtrans-52.3-28.6166.3-67.1-178.2-179.5177.70112W56 A57 A58K54-W56 VanDerWaalsContact C-N 3.3Å; K54-W56 PolarHBondContact O-N 2.68Å; K54-A57 PolarHBondContact O-N 3.33Å; K54-A58 PolarHBondContact O-N 3.43Å
55F76.6Confident76.6Confident119 Ų11985.1 Ų85.152%0.52245%0.45SS..Hα-helixtrans-61.7-35.5173.2-174.5-100.2000112.7T49 S53 A57 A58 V59T49-F55 HydrophobicContact CG2-CD1 3.89Å; T49-F55 HydrophobicContact CG2-CE1 3.79Å; S53-F55 PolarHBondContact O-N 3.45Å; S53-F55 VanDerWaalsContact O-N 3.08Å; S53-F55 WeakPolarHBondContact OG-CB 3.4Å; S53-F55 PolarHBondContact OG-N 2.96Å; S53-F55 VanDerWaalsContact OG-N 3.14Å; F55-A57 PolarHBondContact O-N 2.86Å; F55-A58 WeakPolarHBondContact O-CB 3.45Å; F55-A58 PolarHBondContact O-N 3.33Å; F55-V59 HydrophobicContact CD1-CG2 3.81Å; F55-V59 HydrophobicContact CE1-CG2 3.48Å; F55-V59 VanDerWaalsContact CE1-CG2 3.48Å; F55-V59 HydrophobicContact CZ-CG2 3.93Å; F55-V59 WeakPolarHBondContact O-CG2 3.41Å; F55-V59 PolarHBondContact O-N 3.28Å
56W80.9Confident77Confident113 Ų11384.3 Ų84.343%0.42844%0.444SS..Hα-helixtrans-65.5-40178.9-173.790.4000112P51 S53 K54 A58 V59 A60P51-W56 HydrophobicContact CB-CD2 4.11Å; P51-W56 HydrophobicContact CB-CG 4.21Å; P51-W56 HydrophobicContact CB-CZ2 4.43Å; S53-W56 VanDerWaalsContact O-CB 3.27Å; S53-W56 WeakPolarHBondContact O-CB 3.26Å; S53-W56 PolarHBondContact O-N 3.22Å; K54-W56 VanDerWaalsContact C-N 3.3Å; K54-W56 PolarHBondContact O-N 2.68Å; W56-A58 VanDerWaalsContact C-N 3.28Å; W56-A58 PolarHBondContact O-N 2.77Å; W56-V59 PolarHBondContact O-N 2.75Å; W56-A60 HydrophobicContact CD2-CB 4.47Å; W56-A60 HydrophobicContact CE3-CB 4.22Å; W56-A60 HydrophobicContact CH2-CB 4.25Å; W56-A60 HydrophobicContact CZ3-CB 4.1Å; W56-A60 VanDerWaalsContact O-CB 3.28Å; W56-A60 WeakPolarHBondContact O-CB 3.47Å; W56-A60 PolarHBondContact O-N 2.89Å
57A83.1Confident77.9Confident59 Ų5983.5 Ų83.549%0.48844%0.437SS..Hα-helixtrans-61.7-38.1175.500000111.9K54 F55 R61K54-A57 PolarHBondContact O-N 3.33Å; F55-A57 PolarHBondContact O-N 2.86Å; A57-R61 WeakPolarHBondContact O-CB 3.34Å; A57-R61 PolarHBondContact O-N 3.42Å
58A85Confident79.4Confident57 Ų5780.8 Ų80.847%0.47142%0.424SS..Hα-helixtrans-67.3-44.7174.700000112K54 F55 W56 R61 A62K54-A58 PolarHBondContact O-N 3.43Å; F55-A58 WeakPolarHBondContact O-CB 3.45Å; F55-A58 PolarHBondContact O-N 3.33Å; W56-A58 VanDerWaalsContact C-N 3.28Å; W56-A58 PolarHBondContact O-N 2.77Å; A58-R61 PolarHBondContact O-N 2.95Å; A58-A62 WeakPolarHBondContact O-CB 3.32Å; A58-A62 PolarHBondContact O-N 2.85Å
59V84.6Confident81.2Confident13 Ų1375.4 Ų75.48%0.07939%0.391CS..Hα-helixtrans-60.8-46.6174.3169.90000110.8P45 T47 F55 W56 R61 A62 S63P45-V59 HydrophobicContact CB-CG1 4.32Å; T47-V59 HydrophobicContact CG2-CG1 3.79Å; F55-V59 HydrophobicContact CD1-CG2 3.81Å; F55-V59 HydrophobicContact CE1-CG2 3.48Å; F55-V59 VanDerWaalsContact CE1-CG2 3.48Å; F55-V59 HydrophobicContact CZ-CG2 3.93Å; F55-V59 WeakPolarHBondContact O-CG2 3.41Å; F55-V59 PolarHBondContact O-N 3.28Å; W56-V59 PolarHBondContact O-N 2.75Å; V59-R61 VanDerWaalsContact C-N 3.35Å; V59-R61 PolarHBondContact O-N 2.98Å; V59-A62 CarbonylContact O-C 3.57Å; V59-A62 WeakPolarHBondContact O-CB 3.27Å; V59-A62 PolarHBondContact O-N 3.39Å; V59-A62 VanDerWaalsContact O-N 3.13Å; V59-S63 PolarHBondContact O-N 3.44Å; V59-S63 PolarHBondContact O-OG 3.48Å
60A85.9Confident83.2Confident23 Ų2373 Ų7319%0.1938%0.377CS..Hα-helixtrans-62.7-39178.200000112.3W56 R64W56-A60 HydrophobicContact CD2-CB 4.47Å; W56-A60 HydrophobicContact CE3-CB 4.22Å; W56-A60 HydrophobicContact CH2-CB 4.25Å; W56-A60 HydrophobicContact CZ3-CB 4.1Å; W56-A60 VanDerWaalsContact O-CB 3.28Å; W56-A60 WeakPolarHBondContact O-CB 3.47Å; W56-A60 PolarHBondContact O-N 2.89Å; A60-R64 WeakPolarHBondContact O-CG 3.04Å; A60-R64 PolarHBondContact O-N 3.38Å
61R88.3Confident85Confident142 Ų14270.3 Ų70.354%0.53636%0.362SS..Hα-helixtrans-63.6-45.9171.6175178.9151.388.4-3.6111.1A57 A58 V59 S63 R64 Q65A57-R61 WeakPolarHBondContact O-CB 3.34Å; A57-R61 PolarHBondContact O-N 3.42Å; A58-R61 PolarHBondContact O-N 2.95Å; V59-R61 VanDerWaalsContact C-N 3.35Å; V59-R61 PolarHBondContact O-N 2.98Å; R61-S63 VanDerWaalsContact C-N 3.33Å; R61-S63 PolarHBondContact O-N 3.42Å; R61-R64 PolarHBondContact O-N 2.66Å; R61-Q65 VanDerWaalsContact NH2-NE2 3.12Å; R61-Q65 WeakPolarHBondContact O-CG 3.49Å; R61-Q65 PolarHBondContact O-N 2.66Å
62A88.8Confident86.7Confident11 Ų1167 Ų679%0.09134%0.339CS..Hα-helixtrans-61.9-40.2177.600000112.1P45 A58 V59 Q65 A66P45-A62 HydrophobicContact CB-CB 4.09Å; P45-A62 HydrophobicContact CG-CB 3.95Å; A58-A62 WeakPolarHBondContact O-CB 3.32Å; A58-A62 PolarHBondContact O-N 2.85Å; V59-A62 CarbonylContact O-C 3.57Å; V59-A62 WeakPolarHBondContact O-CB 3.27Å; V59-A62 PolarHBondContact O-N 3.39Å; V59-A62 VanDerWaalsContact O-N 3.13Å; A62-Q65 PolarHBondContact O-N 3.35Å; A62-A66 WeakPolarHBondContact O-CB 3.34Å; A62-A66 PolarHBondContact O-N 3.36Å
63S89.4Confident88.2Confident23 Ų2361.4 Ų61.416%0.16130%0.3CS..Hα-helixtrans-64.9-40.5176.5-58.40000111.2P45 V59 R61 A66 K67P45-S63 VanDerWaalsContact CG-OG 3.24Å; P45-S63 WeakPolarHBondContact CG-OG 3.36Å; V59-S63 PolarHBondContact O-N 3.44Å; V59-S63 PolarHBondContact O-OG 3.48Å; R61-S63 VanDerWaalsContact C-N 3.33Å; R61-S63 PolarHBondContact O-N 3.42Å; S63-A66 PolarHBondContact O-N 3.33Å; S63-K67 VanDerWaalsContact O-CB 3.29Å; S63-K67 WeakPolarHBondContact O-CB 3.37Å; S63-K67 PolarHBondContact O-N 3.06Å
64R90.9Very high89.4Confident175 Ų17559.7 Ų59.766%0.6629%0.287SS*.Hα-helixtrans-62.7-42.9174-77.6-174.1-70.1150.3-7.6111.9A60 R61 K67 A68A60-R64 WeakPolarHBondContact O-CG 3.04Å; A60-R64 PolarHBondContact O-N 3.38Å; R61-R64 PolarHBondContact O-N 2.66Å; R64-K67 PolarHBondContact O-N 3.35Å; R64-A68 WeakPolarHBondContact O-CB 3.41Å; R64-A68 PolarHBondContact O-N 3.36Å
65Q93.4Very high90.3Very high47 Ų4756.2 Ų56.222%0.2227%0.274CS..Hα-helixtrans-66-44.6177-72.2177.2-18.500112.1R11 V13 R61 A62 K67 A68 C69R11-Q65 HydrophobicContact CB-CB 4.07Å; V13-Q65 HydrophobicContact CG2-CB 4.17Å; V13-Q65 HydrophobicContact CG2-CG 4.29Å; R61-Q65 VanDerWaalsContact NH2-NE2 3.12Å; R61-Q65 WeakPolarHBondContact O-CG 3.49Å; R61-Q65 PolarHBondContact O-N 2.66Å; A62-Q65 PolarHBondContact O-N 3.35Å; Q65-K67 VanDerWaalsContact C-N 3.34Å; Q65-K67 PolarHBondContact O-N 2.99Å; Q65-A68 PolarHBondContact O-N 3.39Å; Q65-C69 PolarHBondContact O-N 3.45Å; Q65-C69 PolarHBondContact O-SG 3.48Å; Q65-C69 VanDerWaalsContact O-SG 3.41Å
66A94.1Very high91.2Very high0 Ų053.9 Ų53.90%027%0.265CS..Hα-helixtrans-60.8-44.617600000111.2R11 V40 W44 A62 S63 A68 C69 L70R11-A66 HydrophobicContact CG-CB 4.26Å; V40-A66 HydrophobicContact CG1-CB 4.34Å; V40-A66 WeakPolarHBondContact CG1-O 3.36Å; W44-A66 HydrophobicContact CD2-CB 4.11Å; W44-A66 HydrophobicContact CE3-CB 3.53Å; W44-A66 HydrophobicContact CH2-CB 4.05Å; W44-A66 HydrophobicContact CZ3-CB 3.5Å; A62-A66 WeakPolarHBondContact O-CB 3.34Å; A62-A66 PolarHBondContact O-N 3.36Å; S63-A66 PolarHBondContact O-N 3.33Å; A66-A68 VanDerWaalsContact C-N 3.35Å; A66-A68 PolarHBondContact O-N 2.86Å; A66-C69 PolarHBondContact O-N 2.98Å; A66-L70 WeakPolarHBondContact O-CB 3.44Å; A66-L70 PolarHBondContact O-N 2.65Å
67K94.4Very high91.7Very high75 Ų7551 Ų5133%0.32627%0.27SS..Hα-helixtrans-60.4-42.3174.5-172.7176.8-179.6175.20112.3W44 S63 R64 Q65 L70 R71 L107W44-K67 HydrophobicContact CH2-CB 3.9Å; S63-K67 VanDerWaalsContact O-CB 3.29Å; S63-K67 WeakPolarHBondContact O-CB 3.37Å; S63-K67 PolarHBondContact O-N 3.06Å; R64-K67 PolarHBondContact O-N 3.35Å; Q65-K67 VanDerWaalsContact C-N 3.34Å; Q65-K67 PolarHBondContact O-N 2.99Å; K67-L70 PolarHBondContact O-N 3.46Å; K67-R71 WeakPolarHBondContact O-CB 3.38Å; K67-R71 PolarHBondContact O-N 3.32Å; K67-L107 HydrophobicContact CG-CD1 4.26Å
68A95.1Very high92.2Very high34 Ų3448.6 Ų48.628%0.28125%0.25SS..Hα-helixtrans-64.3-47.917700000111.5V13 R64 Q65 A66 L70 R71 L72V13-A68 HydrophobicContact CG1-CB 4.14Å; V13-A68 HydrophobicContact CG2-CB 3.95Å; R64-A68 WeakPolarHBondContact O-CB 3.41Å; R64-A68 PolarHBondContact O-N 3.36Å; Q65-A68 PolarHBondContact O-N 3.39Å; A66-A68 VanDerWaalsContact C-N 3.35Å; A66-A68 PolarHBondContact O-N 2.86Å; A68-L70 VanDerWaalsContact C-N 3.32Å; A68-L70 PolarHBondContact O-N 3.49Å; A68-R71 PolarHBondContact O-N 2.88Å; A68-L72 WeakPolarHBondContact O-CG 3.29Å; A68-L72 PolarHBondContact O-N 3.49Å
69C95.4Very high92.7Very high0 Ų049.1 Ų49.10%025%0.245CC..Hα-helixtrans-57.6-44.9174.9-70.40000112L16 V40 Q65 A66 R71 L72 L73L16-C69 HydrophobicContact CD2-CB 3.71Å; V40-C69 HydrophobicContact CG1-CB 4.22Å; V40-C69 HydrophobicContact CG2-CB 3.96Å; Q65-C69 PolarHBondContact O-N 3.45Å; Q65-C69 PolarHBondContact O-SG 3.48Å; Q65-C69 VanDerWaalsContact O-SG 3.41Å; A66-C69 PolarHBondContact O-N 2.98Å; C69-R71 VanDerWaalsContact C-N 3.33Å; C69-R71 PolarHBondContact O-N 3.31Å; C69-L72 PolarHBondContact O-N 3.29Å; C69-L73 WeakPolarHBondContact O-CG 3.09Å; C69-L73 PolarHBondContact O-N 2.92Å
70L95.6Very high93.2Very high0 Ų049 Ų490%025%0.245CC..Hα-helixtrans-61.6-43.1179.5-170.865.2000111.3L37 V40 I41 W44 A66 K67 A68 L73 C74 A104 L107 L108L37-L70 HydrophobicContact CD1-CD1 3.49Å; L37-L70 VanDerWaalsContact CD1-CD1 3.49Å; L37-L70 HydrophobicContact CG-CD1 4.12Å; V40-L70 HydrophobicContact CG1-CB 4.14Å; I41-L70 HydrophobicContact CD1-CD1 4.14Å; I41-L70 HydrophobicContact CG1-CD1 4.09Å; W44-L70 HydrophobicContact CZ3-CD2 4.29Å; A66-L70 WeakPolarHBondContact O-CB 3.44Å; A66-L70 PolarHBondContact O-N 2.65Å; K67-L70 PolarHBondContact O-N 3.46Å; A68-L70 VanDerWaalsContact C-N 3.32Å; A68-L70 PolarHBondContact O-N 3.49Å; L70-L73 PolarHBondContact O-N 3.45Å; L70-C74 PolarHBondContact O-N 3.47Å; L70-C74 VanDerWaalsContact O-N 3.13Å; L70-C74 PolarHBondContact O-SG 3.16Å; L70-A104 HydrophobicContact CD2-CB 3.84Å; L70-L107 HydrophobicContact CB-CD2 4.01Å; L70-L107 HydrophobicContact CD2-CB 4.46Å; L70-L107 HydrophobicContact CD2-CD2 3.55Å; L70-L107 HydrophobicContact CG-CD2 3.48Å; L70-L107 VanDerWaalsContact CG-CD2 3.48Å; L70-L108 HydrophobicContact CD1-CD2 4.2Å; L70-L108 HydrophobicContact CD2-CD2 4.43Å; L70-L108 HydrophobicContact CD2-CG 4.25Å
71R96Very high93.7Very high116 Ų11650.7 Ų50.744%0.43825%0.25SS..Hα-helixtrans-64.8-45.3177.7-164-177.1-78.8158.3-14.5111.9K67 A68 C69 L73 C74 E75 L107K67-R71 WeakPolarHBondContact O-CB 3.38Å; K67-R71 PolarHBondContact O-N 3.32Å; A68-R71 PolarHBondContact O-N 2.88Å; C69-R71 VanDerWaalsContact C-N 3.33Å; C69-R71 PolarHBondContact O-N 3.31Å; R71-L73 VanDerWaalsContact C-N 3.32Å; R71-L73 PolarHBondContact O-N 2.94Å; R71-C74 PolarHBondContact O-N 3.05Å; R71-C74 VanDerWaalsContact O-N 3.14Å; R71-E75 WeakPolarHBondContact CG-OE1 3.5Å; R71-E75 WeakPolarHBondContact O-CG 3.19Å; R71-E75 PolarHBondContact O-N 2.99Å; R71-L107 HydrophobicContact CB-CD1 4.06Å; R71-L107 HydrophobicContact CB-CD2 4.47Å; R71-L107 HydrophobicContact CG-CD1 4.18Å
72L95.5Very high94Very high23 Ų2344.5 Ų44.512%0.1223%0.228CC..Hα-helixtrans-58.7-42.5176.6-73-177.9000112.5V13 Q17 L20 A68 C69 C74 E75 H76V13-L72 HydrophobicContact CG1-CD1 3.7Å; Q17-L72 HydrophobicContact CB-CD1 4.15Å; L20-L72 HydrophobicContact CD1-CB 4.26Å; A68-L72 WeakPolarHBondContact O-CG 3.29Å; A68-L72 PolarHBondContact O-N 3.49Å; C69-L72 PolarHBondContact O-N 3.29Å; L72-C74 VanDerWaalsContact C-N 3.34Å; L72-E75 PolarHBondContact O-N 3.33Å; L72-H76 PolarHBondContact O-N 3.33Å; L72-H76 VanDerWaalsContact O-N 3.07Å; L72-H76 PolarHBondContact O-ND1 3.4Å
73L95Very high94.2Very high0 Ų047.6 Ų47.60%024%0.241CC..Hα-helixtrans-62.1-43.3176.2-70.8169.5000111.2L16 L20 L37 V40 C69 L70 R71 H76 G77 A78L16-L73 HydrophobicContact CD1-CD2 4.41Å; L16-L73 HydrophobicContact CD2-CD1 4.49Å; L16-L73 HydrophobicContact CD2-CD2 4.32Å; L16-L73 HydrophobicContact CD2-CG 4.09Å; L20-L73 HydrophobicContact CD1-CD2 4.31Å; L20-L73 HydrophobicContact CD2-CD2 4.34Å; L37-L73 HydrophobicContact CB-CD1 4.5Å; L37-L73 HydrophobicContact CD1-CB 4Å; L37-L73 HydrophobicContact CD1-CD1 4.31Å; V40-L73 HydrophobicContact CG2-CD1 3.79Å; C69-L73 WeakPolarHBondContact O-CG 3.09Å; C69-L73 PolarHBondContact O-N 2.92Å; L70-L73 PolarHBondContact O-N 3.45Å; R71-L73 VanDerWaalsContact C-N 3.32Å; R71-L73 PolarHBondContact O-N 2.94Å; L73-H76 CarbonylContact O-C 3.57Å; L73-H76 PolarHBondContact O-N 2.97Å; L73-G77 PolarHBondContact O-N 2.86Å; L73-A78 HydrophobicContact CB-CB 3.98Å; L73-A78 WeakPolarHBondContact O-CB 3.4Å; L73-A78 PolarHBondContact O-N 3.36Å
74C94.6Very high94.4Very high23 Ų2346.9 Ų46.916%0.15524%0.235CC..Hα-helixtrans-64.7-41.1176.9-610000112L70 R71 L72 H76 G77 C111L70-C74 PolarHBondContact O-N 3.47Å; L70-C74 VanDerWaalsContact O-N 3.13Å; L70-C74 PolarHBondContact O-SG 3.16Å; R71-C74 PolarHBondContact O-N 3.05Å; R71-C74 VanDerWaalsContact O-N 3.14Å; L72-C74 VanDerWaalsContact C-N 3.34Å; C74-H76 VanDerWaalsContact C-N 3.26Å; C74-H76 PolarHBondContact O-N 2.97Å; C74-G77 PolarHBondContact O-N 3.26Å; C74-G77 VanDerWaalsContact O-N 3.12Å; C74-C111 HydrophobicContact CB-CB 4.17Å; C74-C111 VanDerWaalsContact CB-SG 3.59Å
75E94.1Very high94.3Very high128 Ų12843 Ų4360%0.59823%0.228SC*.Hα-helixtrans-63.6-30.1177.2-73.2167-172.900112.7R71 L72 G77R71-E75 WeakPolarHBondContact CG-OE1 3.5Å; R71-E75 WeakPolarHBondContact O-CG 3.19Å; R71-E75 PolarHBondContact O-N 2.99Å; L72-E75 PolarHBondContact O-N 3.33Å; E75-G77 VanDerWaalsContact C-N 3.3Å
76H94.3Very high94Very high70 Ų7043.8 Ų43.832%0.32423%0.233SC..THydrogen-bonded Turntrans-93.922175.7-65.873.1000112.8L20 V26 L72 L73 C74L20-H76 HydrophobicContact CD1-CB 4.3Å; L20-H76 HydrophobicContact CD2-CB 4.22Å; V26-H76 HydrophobicContact CG1-CB 4.2Å; L72-H76 PolarHBondContact O-N 3.33Å; L72-H76 VanDerWaalsContact O-N 3.07Å; L72-H76 PolarHBondContact O-ND1 3.4Å; L73-H76 CarbonylContact O-C 3.57Å; L73-H76 PolarHBondContact O-N 2.97Å; C74-H76 VanDerWaalsContact C-N 3.26Å; C74-H76 PolarHBondContact O-N 2.97Å
77G91.8Very high93.7Very high51 Ų5152.6 Ų52.653%0.52627%0.274SS..THydrogen-bonded Turntrans78.724.2169.500000115.5Q27 L73 C74 E75 D79Q27-G77 PolarHBondContact NE2-O 2.9Å; L73-G77 PolarHBondContact O-N 2.86Å; C74-G77 PolarHBondContact O-N 3.26Å; C74-G77 VanDerWaalsContact O-N 3.12Å; E75-G77 VanDerWaalsContact C-N 3.3Å; G77-D79 PolarHBondContact O-N 3.03Å
78A94.4Very high93.4Very high9 Ų950.1 Ų50.17%0.07427%0.267CS..  trans-60.8136.1170.800000110.8V26 L37 L73 V80V26-A78 HydrophobicContact CB-CB 4.33Å; V26-A78 HydrophobicContact CG2-CB 4.1Å; L37-A78 HydrophobicContact CD1-CB 4.13Å; L73-A78 HydrophobicContact CB-CB 3.98Å; L73-A78 WeakPolarHBondContact O-CB 3.4Å; L73-A78 PolarHBondContact O-N 3.36Å; A78-V80 PolarHBondContact O-N 3.32Å; A78-V80 VanDerWaalsContact O-N 3.16Å
79D95.1Very high93.2Very high69 Ų6951.4 Ų51.437%0.36927%0.267SS..  trans-76.6108.2179.7174.814.4000108.8L37 G77 N81 T82L37-D79 WeakPolarHBondContact CD2-O 3.34Å; G77-D79 PolarHBondContact O-N 3.03Å; D79-N81 PolarHBondContact O-N 2.82Å; D79-N81 PolarHBondContact OD1-N 2.7Å; D79-T82 WeakPolarHBondContact O-CB 3.24Å; D79-T82 WeakPolarHBondContact O-CG2 2.95Å; D79-T82 PolarHBondContact O-N 2.76Å; D79-T82 PolarHBondContact OD1-N 3.44Å; D79-T82 PolarHBondContact OD2-N 2.98Å
80V95.8Very high93.2Very high11 Ų1151.5 Ų51.57%0.06727%0.267CS..THydrogen-bonded Turntrans-70.4-13.6-178.9-62.80000113.5A78 P92 L108 C111 A113A78-V80 PolarHBondContact O-N 3.32Å; A78-V80 VanDerWaalsContact O-N 3.16Å; V80-P92 WeakPolarHBondContact O-CD 3.48Å; V80-P92 WeakPolarHBondContact O-CG 3.22Å; V80-L108 HydrophobicContact CB-CD2 4.37Å; V80-L108 HydrophobicContact CG1-CD2 4.26Å; V80-C111 HydrophobicContact CG1-CB 3.89Å; V80-A113 HydrophobicContact CB-CB 4.43Å; V80-A113 HydrophobicContact CG2-CB 4.27Å
81N95.9Very high93.2Very high58 Ų5851.6 Ų51.631%0.3127%0.268SS..THydrogen-bonded Turntrans-105.12.9179.7-64.9-54.1000113D79 Q83 G112 A113 N114D79-N81 PolarHBondContact O-N 2.82Å; D79-N81 PolarHBondContact OD1-N 2.7Å; N81-Q83 PolarHBondContact O-N 3.22Å; N81-G112 PolarHBondContact ND2-O 3.37Å; N81-A113 WeakPolarHBondContact OD1-CA 3.4Å; N81-N114 WeakPolarHBondContact OD1-CB 3.27Å; N81-N114 PolarHBondContact OD1-N 3.43Å
82T94.4Very high93.2Very high11 Ų1146.1 Ų46.17%0.06725%0.247CC..PPolyproline II helixtrans-55.3132.7179.5-168.60000111T35 L37 H38 D79 P92T35-T82 HydrophobicContact CG2-CG2 3.94Å; L37-T82 HydrophobicContact CD2-CG2 4.45Å; H38-T82 PolarHBondContact NE2-O 2.7Å; D79-T82 WeakPolarHBondContact O-CB 3.24Å; D79-T82 WeakPolarHBondContact O-CG2 2.95Å; D79-T82 PolarHBondContact O-N 2.76Å; D79-T82 PolarHBondContact OD1-N 3.44Å; D79-T82 PolarHBondContact OD2-N 2.98Å; T82-P92 HydrophobicContact CG2-CG 4.14Å; T82-P92 WeakPolarHBondContact O-CD 3.35Å
83Q93.9Very high93.3Very high77 Ų7745 Ų4536%0.3624%0.241SC..PPolyproline II helixtrans-92.5145.2174.5-70.2176.6-55.200110K29 N81 Q89 T91 V118K29-Q83 PolarHBondContact NZ-O 3.01Å; N81-Q83 PolarHBondContact O-N 3.22Å; Q83-Q89 WeakPolarHBondContact CG-O 3.35Å; Q83-Q89 PolarHBondContact NE2-O 3.2Å; Q83-Q89 VanDerWaalsContact NE2-O 3.14Å; Q83-T91 HydrophobicContact CG-CG2 3.85Å; Q83-V118 PolarHBondContact NE2-O 3.15Å
84M91.8Very high93.4Very high7 Ų745 Ų453%0.03424%0.241CC..PPolyproline II helixtrans-63.6139.5165.9-64.5-162.9-60.800109.5R34 D86 S88 Q89 Q90 L95R34-M84 HydrophobicContact CG-CG 4.48Å; R34-M84 HydrophobicContact CG-SD 4.01Å; M84-D86 VanDerWaalsContact CE-OD2 3.25Å; M84-D86 WeakPolarHBondContact CE-OD2 3.36Å; M84-D86 PolarHBondContact O-N 2.84Å; M84-D86 VanDerWaalsContact O-N 3.13Å; M84-S88 VanDerWaalsContact CE-OG 3.29Å; M84-S88 WeakPolarHBondContact CE-OG 3.34Å; M84-Q89 PolarHBondContact O-NE2 3.42Å; M84-Q89 VanDerWaalsContact O-NE2 3.12Å; M84-Q90 HydrophobicContact CE-CB 3.99Å; M84-Q90 PolarHBondContact N-O 2.98Å; M84-Q90 VanDerWaalsContact N-O 3.12Å; M84-L95 HydrophobicContact CE-CD1 4.41Å; M84-L95 HydrophobicContact CE-CD2 4.01Å; M84-L95 HydrophobicContact SD-CD1 4Å
85D89.7Confident93.4Very high95 Ų9544 Ų4451%0.50823%0.234SC..SBendtrans-778.5176.4-53.3-34.9000113K29 G33K29-D85 WeakPolarHBondContact CD-OD2 3.33Å; K29-D85 IonicContact NZ-OD1 2.89Å; K29-D85 PolarHBondContact NZ-OD1 3.21Å; K29-D85 IonicContact NZ-OD2 2.82Å; K29-D85 PolarHBondContact NZ-OD2 3.5Å; G33-D85 WeakPolarHBondContact CA-OD2 3.23Å; G33-D85 PolarHBondContact O-N 3.35Å
86D87.9Confident93.4Very high63 Ų6337.9 Ų37.934%0.33721%0.206SC..SBendtrans-77.7176174.376.63000111.5M84 S88 Q89M84-D86 VanDerWaalsContact CE-OD2 3.25Å; M84-D86 WeakPolarHBondContact CE-OD2 3.36Å; M84-D86 PolarHBondContact O-N 2.84Å; M84-D86 VanDerWaalsContact O-N 3.13Å; D86-S88 VanDerWaalsContact CG-OG 3.28Å; D86-S88 PolarHBondContact O-N 3.24Å; D86-S88 VanDerWaalsContact O-N 3.11Å; D86-S88 WeakPolarHBondContact OD1-CA 3.49Å; D86-S88 VanDerWaalsContact OD1-CB 3.28Å; D86-S88 WeakPolarHBondContact OD1-CB 3.48Å; D86-S88 PolarHBondContact OD1-N 3.39Å; D86-S88 PolarHBondContact OD1-OG 2.88Å; D86-S88 PolarHBondContact OD2-OG 3.44Å; D86-Q89 PolarHBondContact O-N 2.93Å; D86-Q89 PolarHBondContact O-NE2 2.95Å; D86-Q89 PolarHBondContact OD1-N 3.18Å
87Q86.8Confident93.5Very high184 Ų18434.6 Ų34.686%0.8619%0.19SC*.THydrogen-bonded Turntrans-64.9-13.6179.1-65.9-178.2-11.600113.2S120Q87-S120 WeakPolarHBondContact O-CB 3.37Å; Q87-S120 PolarHBondContact O-OG 3.29Å
88S87.6Confident93.5Very high24 Ų2438 Ų3817%0.16819%0.188CC..THydrogen-bonded Turntrans-84.6-26.8-179.381.30000112.4M84 D86 Q90 D119 S120M84-S88 VanDerWaalsContact CE-OG 3.29Å; M84-S88 WeakPolarHBondContact CE-OG 3.34Å; D86-S88 VanDerWaalsContact CG-OG 3.28Å; D86-S88 PolarHBondContact O-N 3.24Å; D86-S88 VanDerWaalsContact O-N 3.11Å; D86-S88 WeakPolarHBondContact OD1-CA 3.49Å; D86-S88 VanDerWaalsContact OD1-CB 3.28Å; D86-S88 WeakPolarHBondContact OD1-CB 3.48Å; D86-S88 PolarHBondContact OD1-N 3.39Å; D86-S88 PolarHBondContact OD1-OG 2.88Å; D86-S88 PolarHBondContact OD2-OG 3.44Å; S88-Q90 PolarHBondContact O-N 3.18Å; S88-Q90 VanDerWaalsContact O-N 3.09Å; S88-Q90 WeakPolarHBondContact OG-CG 3.44Å; S88-D119 WeakPolarHBondContact O-CB 3.33Å; S88-S120 WeakPolarHBondContact CA-OG 3.38Å; S88-S120 PolarHBondContact O-N 3.11Å; S88-S120 PolarHBondContact O-OG 3.2Å
89Q92.5Very high93.4Very high61 Ų6140.8 Ų40.829%0.28520%0.197SC..  trans50.932.5-177.8-65.2-67.4-43.500113.1Q83 M84 D86Q83-Q89 WeakPolarHBondContact CG-O 3.35Å; Q83-Q89 PolarHBondContact NE2-O 3.2Å; Q83-Q89 VanDerWaalsContact NE2-O 3.14Å; M84-Q89 PolarHBondContact O-NE2 3.42Å; M84-Q89 VanDerWaalsContact O-NE2 3.12Å; D86-Q89 PolarHBondContact O-N 2.93Å; D86-Q89 PolarHBondContact O-NE2 2.95Å; D86-Q89 PolarHBondContact OD1-N 3.18Å
90Q93.9Very high93.3Very high1 Ų142.7 Ų42.71%0.00520%0.199CC..  trans-78.4139-176.4-73.2-175.2-1800111.6M84 S88 H94 L95 D119 M128M84-Q90 HydrophobicContact CE-CB 3.99Å; M84-Q90 PolarHBondContact N-O 2.98Å; M84-Q90 VanDerWaalsContact N-O 3.12Å; S88-Q90 PolarHBondContact O-N 3.18Å; S88-Q90 VanDerWaalsContact O-N 3.09Å; S88-Q90 WeakPolarHBondContact OG-CG 3.44Å; Q90-H94 HydrophobicContact CB-CB 3.95Å; Q90-H94 HydrophobicContact CG-CB 4.1Å; Q90-L95 HydrophobicContact CB-CD2 4.39Å; Q90-L95 HydrophobicContact CB-CG 4.5Å; Q90-D119 HydrophobicContact CG-CB 3.89Å; Q90-D119 PolarHBondContact NE2-OD2 2.95Å; Q90-M128 HydrophobicContact CG-CE 4.31Å
91T95.8Very high93.1Very high3 Ų342.3 Ų42.32%0.01820%0.196CC..  trans-83.2164172.269.80000111.3Q83 L93 H94 L95 A117Q83-T91 HydrophobicContact CG-CG2 3.85Å; T91-L93 PolarHBondContact O-N 2.83Å; T91-L93 VanDerWaalsContact O-N 3.13Å; T91-L93 PolarHBondContact OG1-N 3.43Å; T91-H94 PolarHBondContact N-ND1 3.38Å; T91-H94 WeakPolarHBondContact O-CB 3.49Å; T91-H94 PolarHBondContact O-N 3.04Å; T91-H94 PolarHBondContact OG1-N 3.01Å; T91-H94 PolarHBondContact OG1-ND1 3.19Å; T91-L95 PolarHBondContact O-N 3.25Å; T91-L95 VanDerWaalsContact O-N 3.12Å; T91-A117 HydrophobicContact CG2-CB 3.88Å
92P96.2Very high93Very high0 Ų041.3 Ų41.30%019%0.191CC..Hα-helixtrans-47.9-39.1170.5-32.535.4000113.1L37 H38 I41 V80 T82 L95 S96 L108L37-P92 HydrophobicContact CD2-CB 3.82Å; L37-P92 HydrophobicContact CD2-CG 3.27Å; L37-P92 HydrophobicContact CG-CB 4.42Å; L37-P92 HydrophobicContact CG-CG 4.16Å; H38-P92 WeakPolarHBondContact NE2-CD 3.25Å; I41-P92 HydrophobicContact CD1-CB 3.55Å; V80-P92 WeakPolarHBondContact O-CD 3.48Å; V80-P92 WeakPolarHBondContact O-CG 3.22Å; T82-P92 HydrophobicContact CG2-CG 4.14Å; T82-P92 WeakPolarHBondContact O-CD 3.35Å; P92-L95 PolarHBondContact O-N 3.12Å; P92-S96 WeakPolarHBondContact O-CB 3.33Å; P92-S96 PolarHBondContact O-N 3.19Å; P92-L108 HydrophobicContact CB-CD1 3.86Å; P92-L108 HydrophobicContact CB-CD2 3.98Å
93L97.3Very high92.9Very high0 Ų043.6 Ų43.60%021%0.207CC..Hα-helixtrans-66.4-43.1179.7-169.758.5000111.6T91 L95 S96 V97 V105 L108 I109 A113 V115 P125 L141T91-L93 PolarHBondContact O-N 2.83Å; T91-L93 VanDerWaalsContact O-N 3.13Å; T91-L93 PolarHBondContact OG1-N 3.43Å; L93-L95 PolarHBondContact O-N 2.9Å; L93-S96 PolarHBondContact O-N 3.17Å; L93-S96 PolarHBondContact O-OG 3.36Å; L93-V97 WeakPolarHBondContact O-CG2 3.44Å; L93-V97 PolarHBondContact O-N 3.3Å; L93-V105 HydrophobicContact CD1-CB 4.44Å; L93-V105 HydrophobicContact CD1-CG1 4.09Å; L93-L108 HydrophobicContact CD1-CB 4.31Å; L93-L108 HydrophobicContact CD1-CD1 4.47Å; L93-I109 HydrophobicContact CD1-CD1 4.49Å; L93-I109 HydrophobicContact CD1-CG1 4.1Å; L93-I109 HydrophobicContact CD2-CG1 4.4Å; L93-A113 HydrophobicContact CB-CB 4.47Å; L93-A113 HydrophobicContact CD2-CB 4.2Å; L93-V115 HydrophobicContact CD2-CG1 4.41Å; L93-P125 HydrophobicContact CB-CG 4.23Å; L93-P125 HydrophobicContact CD2-CB 4.29Å; L93-P125 HydrophobicContact CD2-CG 3.79Å; L93-P125 HydrophobicContact CG-CB 4.03Å; L93-P125 HydrophobicContact CG-CG 3.76Å; L93-L141 HydrophobicContact CD1-CD2 4.33Å; L93-L141 HydrophobicContact CD2-CD2 4.23Å; L93-L141 HydrophobicContact CG-CD2 4.44Å
94H96.6Very high93Very high0 Ų040 Ų400%019%0.19CC..Hα-helixtrans-58.5-47173.3-69.3100.7000112.2Q90 T91 S96 V97 R98 A117 M123 P125 M128Q90-H94 HydrophobicContact CB-CB 3.95Å; Q90-H94 HydrophobicContact CG-CB 4.1Å; T91-H94 PolarHBondContact N-ND1 3.38Å; T91-H94 WeakPolarHBondContact O-CB 3.49Å; T91-H94 PolarHBondContact O-N 3.04Å; T91-H94 PolarHBondContact OG1-N 3.01Å; T91-H94 PolarHBondContact OG1-ND1 3.19Å; H94-S96 VanDerWaalsContact C-N 3.3Å; H94-S96 PolarHBondContact O-N 2.82Å; H94-V97 PolarHBondContact O-N 3.43Å; H94-R98 PolarHBondContact O-N 2.78Å; H94-A117 PolarHBondContact CE1-O 2.89Å; H94-A117 VanDerWaalsContact CE1-O 3.25Å; H94-A117 PolarHBondContact NE2-O 3.42Å; H94-M123 PolarHBondContact NE2-O 3.37Å; H94-P125 VanDerWaalsContact NE2-CD 3.3Å; H94-P125 WeakPolarHBondContact NE2-CD 3.09Å; H94-M128 HydrophobicContact CB-CE 4Å; H94-M128 HydrophobicContact CB-SD 3.93Å; H94-M128 WeakPolarHBondContact CD2-CE 3.24Å
95L94.9Very high93.2Very high2 Ų239.6 Ų39.61%0.0119%0.189CC..Hα-helixtrans-61.4-40.9177.9-64.4177.1000111.2H38 I41 I42 M84 Q90 T91 P92 L93 V97 R98 Y99H38-L95 HydrophobicContact CB-CD1 4.21Å; I41-L95 HydrophobicContact CB-CB 4.43Å; I41-L95 HydrophobicContact CG2-CB 3.62Å; I42-L95 HydrophobicContact CD1-CD1 4.31Å; I42-L95 HydrophobicContact CG1-CD1 4.12Å; M84-L95 HydrophobicContact CE-CD1 4.41Å; M84-L95 HydrophobicContact CE-CD2 4.01Å; M84-L95 HydrophobicContact SD-CD1 4Å; Q90-L95 HydrophobicContact CB-CD2 4.39Å; Q90-L95 HydrophobicContact CB-CG 4.5Å; T91-L95 PolarHBondContact O-N 3.25Å; T91-L95 VanDerWaalsContact O-N 3.12Å; P92-L95 PolarHBondContact O-N 3.12Å; L93-L95 PolarHBondContact O-N 2.9Å; L95-V97 PolarHBondContact O-N 3.07Å; L95-R98 PolarHBondContact O-N 3.12Å; L95-R98 VanDerWaalsContact O-N 3.15Å; L95-Y99 HydrophobicContact CB-CD2 4.4Å; L95-Y99 HydrophobicContact CD2-CE2 4.34Å; L95-Y99 WeakPolarHBondContact O-CD2 3.43Å; L95-Y99 PolarHBondContact O-N 3.39Å
96S95.3Very high93.5Very high0 Ų041.9 Ų41.90%019%0.19CC..Hα-helixtrans-62-33.7179.374.30000112.6P92 L93 H94 R100 A101 V105P92-S96 WeakPolarHBondContact O-CB 3.33Å; P92-S96 PolarHBondContact O-N 3.19Å; L93-S96 PolarHBondContact O-N 3.17Å; L93-S96 PolarHBondContact O-OG 3.36Å; H94-S96 VanDerWaalsContact C-N 3.3Å; H94-S96 PolarHBondContact O-N 2.82Å; S96-R100 PolarHBondContact O-N 3.03Å; S96-A101 WeakPolarHBondContact O-CB 3.45Å; S96-A101 PolarHBondContact O-N 3.12Å; S96-V105 WeakPolarHBondContact OG-CG2 3.23Å
97V95.7Very high93.9Very high0 Ų039.4 Ų39.40%018%0.177CC..Hα-helixtrans-70.5-48172.3178.30000110.9L93 H94 L95 Y99 R100 V105 P125 M128 A129 I132 I137 L141L93-V97 WeakPolarHBondContact O-CG2 3.44Å; L93-V97 PolarHBondContact O-N 3.3Å; H94-V97 PolarHBondContact O-N 3.43Å; L95-V97 PolarHBondContact O-N 3.07Å; V97-Y99 VanDerWaalsContact C-N 3.28Å; V97-Y99 PolarHBondContact O-N 3.27Å; V97-R100 PolarHBondContact O-N 2.95Å; V97-V105 HydrophobicContact CG2-CG2 4.18Å; V97-P125 HydrophobicContact CG2-CB 4.01Å; V97-M128 HydrophobicContact CB-CB 4.5Å; V97-M128 HydrophobicContact CG1-CB 3.85Å; V97-A129 HydrophobicContact CG1-CB 3.86Å; V97-I132 HydrophobicContact CG1-CD1 4.07Å; V97-I132 WeakPolarHBondContact O-CD1 3.48Å; V97-I137 HydrophobicContact CB-CG2 4.42Å; V97-I137 HydrophobicContact CG1-CG2 4.13Å; V97-I137 HydrophobicContact CG2-CG2 3.81Å; V97-L141 HydrophobicContact CG2-CD1 4.12Å
98R92.6Very high94.4Very high124 Ų12430.6 Ų30.647%0.46814%0.136SC..Hα-helixtrans-54.8-42.4178.3176.1178.9-77.1169.7-3.7112.4H94 L95 R100H94-R98 PolarHBondContact O-N 2.78Å; L95-R98 PolarHBondContact O-N 3.12Å; L95-R98 VanDerWaalsContact O-N 3.15Å; R98-R100 VanDerWaalsContact C-N 3.27Å; R98-R100 PolarHBondContact O-N 3.24Å
99Y91.4Very high94.8Very high67 Ų6730.4 Ų30.426%0.26313%0.132SC..THydrogen-bonded Turntrans-87.210.6178.5-67.3-74.1000113.8I41 I42 L95 V97 A101I41-Y99 HydrophobicContact CG2-CD2 4.39Å; I42-Y99 HydrophobicContact CB-CE2 4.24Å; I42-Y99 HydrophobicContact CG1-CE2 3.95Å; L95-Y99 HydrophobicContact CB-CD2 4.4Å; L95-Y99 HydrophobicContact CD2-CE2 4.34Å; L95-Y99 WeakPolarHBondContact O-CD2 3.43Å; L95-Y99 PolarHBondContact O-N 3.39Å; V97-Y99 VanDerWaalsContact C-N 3.28Å; V97-Y99 PolarHBondContact O-N 3.27Å; Y99-A101 PolarHBondContact O-N 3.38Å
100R92.4Very high95Very high109 Ų10931.9 Ų31.941%0.41115%0.149SC..THydrogen-bonded Turntrans55.232.8177.8-60.4179.9143.4-136.6-6.8113.3S96 V97 R98 L102 I132S96-R100 PolarHBondContact O-N 3.03Å; V97-R100 PolarHBondContact O-N 2.95Å; R98-R100 VanDerWaalsContact C-N 3.27Å; R98-R100 PolarHBondContact O-N 3.24Å; R100-L102 PolarHBondContact O-N 3.16Å; R100-I132 HydrophobicContact CG-CD1 4.05Å; R100-I132 PolarHBondContact NH2-O 2.83Å
101A92.9Very high95Very high2 Ų234.1 Ų34.12%0.01717%0.165CC..  trans-92.471.8-172.800000111.6W44 S96 Y99 S103 A104 V105W44-A101 HydrophobicContact CB-CB 4.27Å; W44-A101 HydrophobicContact CD2-CB 3.8Å; W44-A101 HydrophobicContact CG-CB 3.56Å; S96-A101 WeakPolarHBondContact O-CB 3.45Å; S96-A101 PolarHBondContact O-N 3.12Å; Y99-A101 PolarHBondContact O-N 3.38Å; A101-S103 PolarHBondContact O-N 2.67Å; A101-S103 VanDerWaalsContact O-N 3.12Å; A101-A104 HydrophobicContact CB-CB 3.8Å; A101-A104 WeakPolarHBondContact O-CA 3.16Å; A101-A104 WeakPolarHBondContact O-CB 3.35Å; A101-A104 PolarHBondContact O-N 3.13Å; A101-V105 PolarHBondContact O-N 2.99Å
102L92.9Very high95Very high38 Ų3836.5 Ų36.520%0.19919%0.19CC..Hα-helixtrans-53.5-37.1-177.5179.864.2000113.7R100 A104 V105 R106 D136 I137R100-L102 PolarHBondContact O-N 3.16Å; L102-A104 VanDerWaalsContact C-N 3.32Å; L102-A104 PolarHBondContact O-N 3.05Å; L102-V105 PolarHBondContact O-N 3.42Å; L102-R106 PolarHBondContact O-N 2.98Å; L102-D136 HydrophobicContact CD1-CB 4.47Å; L102-D136 HydrophobicContact CD2-CB 3.9Å; L102-I137 HydrophobicContact CB-CG1 4.22Å; L102-I137 HydrophobicContact CD1-CG1 3.91Å
103S93.4Very high95Very high59 Ų5936.9 Ų36.941%0.41319%0.193SC..Hα-helixtrans-66.7-32.5176.4-72.60000113.2A101 L107A101-S103 PolarHBondContact O-N 2.67Å; A101-S103 VanDerWaalsContact O-N 3.12Å; S103-L107 WeakPolarHBondContact O-CB 3.31Å; S103-L107 PolarHBondContact O-N 3.06Å
104A95Very high95Very high0 Ų040.7 Ų40.70%021%0.213CC..Hα-helixtrans-74.6-41.7174.700000110.6W44 L70 A101 L102 R106 L107 L108W44-A104 HydrophobicContact CD2-CB 4.39Å; W44-A104 HydrophobicContact CE3-CB 4.08Å; W44-A104 HydrophobicContact CH2-CB 3.97Å; W44-A104 HydrophobicContact CZ2-CB 4.31Å; W44-A104 HydrophobicContact CZ3-CB 3.86Å; L70-A104 HydrophobicContact CD2-CB 3.84Å; A101-A104 HydrophobicContact CB-CB 3.8Å; A101-A104 WeakPolarHBondContact O-CA 3.16Å; A101-A104 WeakPolarHBondContact O-CB 3.35Å; A101-A104 PolarHBondContact O-N 3.13Å; L102-A104 VanDerWaalsContact C-N 3.32Å; L102-A104 PolarHBondContact O-N 3.05Å; A104-R106 PolarHBondContact O-N 3.43Å; A104-L107 PolarHBondContact O-N 3.41Å; A104-L108 WeakPolarHBondContact O-CB 3.27Å; A104-L108 VanDerWaalsContact O-CG 3.3Å; A104-L108 WeakPolarHBondContact O-CG 3.32Å; A104-L108 PolarHBondContact O-N 2.88Å
105V96.4Very high95.1Very high0 Ų041.3 Ų41.30%022%0.217CC..Hα-helixtrans-51.8-56.2173.3173.10000110.3L93 S96 V97 A101 L102 L107 L108 I109 I137 L141L93-V105 HydrophobicContact CD1-CB 4.44Å; L93-V105 HydrophobicContact CD1-CG1 4.09Å; S96-V105 WeakPolarHBondContact OG-CG2 3.23Å; V97-V105 HydrophobicContact CG2-CG2 4.18Å; A101-V105 PolarHBondContact O-N 2.99Å; L102-V105 PolarHBondContact O-N 3.42Å; V105-L107 VanDerWaalsContact C-N 3.32Å; V105-L107 PolarHBondContact O-N 3.33Å; V105-L108 PolarHBondContact O-N 3.02Å; V105-I109 HydrophobicContact CG1-CD1 3.75Å; V105-I109 VanDerWaalsContact O-CG1 3.22Å; V105-I109 WeakPolarHBondContact O-CG1 3.09Å; V105-I109 PolarHBondContact O-N 3.46Å; V105-I137 HydrophobicContact CG2-CG2 4.17Å; V105-L141 HydrophobicContact CG1-CD2 4.11Å; V105-L141 HydrophobicContact CG1-CG 4.36Å
106R96Very high95.2Very high143 Ų14343.3 Ų43.354%0.5423%0.228SC..Hα-helixtrans-60.7-39.8-179.3-71.1179.2176.6174.32.2112.8L102 A104 S110 S140L102-R106 PolarHBondContact O-N 2.98Å; A104-R106 PolarHBondContact O-N 3.43Å; R106-S110 PolarHBondContact O-N 2.77Å; R106-S110 VanDerWaalsContact O-N 3.07Å; R106-S110 PolarHBondContact O-OG 3.47Å; R106-S140 WeakPolarHBondContact CG-OG 3.41Å
107L96.2Very high95.2Very high10 Ų1043.7 Ų43.75%0.05223%0.231CC..Hα-helixtrans-68.7-47.3-180-171.2121.6000111.6K67 L70 R71 S103 A104 V105 I109 S110 C111K67-L107 HydrophobicContact CG-CD1 4.26Å; L70-L107 HydrophobicContact CB-CD2 4.01Å; L70-L107 HydrophobicContact CD2-CB 4.46Å; L70-L107 HydrophobicContact CD2-CD2 3.55Å; L70-L107 HydrophobicContact CG-CD2 3.48Å; L70-L107 VanDerWaalsContact CG-CD2 3.48Å; R71-L107 HydrophobicContact CB-CD1 4.06Å; R71-L107 HydrophobicContact CB-CD2 4.47Å; R71-L107 HydrophobicContact CG-CD1 4.18Å; S103-L107 WeakPolarHBondContact O-CB 3.31Å; S103-L107 PolarHBondContact O-N 3.06Å; A104-L107 PolarHBondContact O-N 3.41Å; V105-L107 VanDerWaalsContact C-N 3.32Å; V105-L107 PolarHBondContact O-N 3.33Å; L107-I109 VanDerWaalsContact C-N 3.31Å; L107-I109 PolarHBondContact O-N 3.08Å; L107-S110 WeakPolarHBondContact CA-OG 3.49Å; L107-S110 PolarHBondContact O-N 2.96Å; L107-S110 VanDerWaalsContact O-N 3.11Å; L107-S110 PolarHBondContact O-OG 3.46Å; L107-C111 PolarHBondContact O-N 2.91Å; L107-C111 PolarHBondContact O-SG 3.22Å
108L96.9Very high95.2Very high0 Ų046 Ų460%025%0.245CC..Hα-helixtrans-59.6-43178.4-72.6169.9000111.6I41 L70 V80 P92 L93 A104 V105 S110 C111 G112 A113I41-L108 HydrophobicContact CD1-CD1 3.83Å; L70-L108 HydrophobicContact CD1-CD2 4.2Å; L70-L108 HydrophobicContact CD2-CD2 4.43Å; L70-L108 HydrophobicContact CD2-CG 4.25Å; V80-L108 HydrophobicContact CB-CD2 4.37Å; V80-L108 HydrophobicContact CG1-CD2 4.26Å; P92-L108 HydrophobicContact CB-CD1 3.86Å; P92-L108 HydrophobicContact CB-CD2 3.98Å; L93-L108 HydrophobicContact CD1-CB 4.31Å; L93-L108 HydrophobicContact CD1-CD1 4.47Å; A104-L108 WeakPolarHBondContact O-CB 3.27Å; A104-L108 VanDerWaalsContact O-CG 3.3Å; A104-L108 WeakPolarHBondContact O-CG 3.32Å; A104-L108 PolarHBondContact O-N 2.88Å; V105-L108 PolarHBondContact O-N 3.02Å; L108-S110 VanDerWaalsContact C-N 3.34Å; L108-S110 PolarHBondContact O-N 3.42Å; L108-C111 CarbonylContact O-C 3.6Å; L108-C111 WeakPolarHBondContact O-CA 3.46Å; L108-C111 PolarHBondContact O-N 3.4Å; L108-C111 VanDerWaalsContact O-N 3.09Å; L108-G112 PolarHBondContact O-N 3.13Å; L108-A113 HydrophobicContact CB-CB 3.95Å; L108-A113 WeakPolarHBondContact O-CB 3.4Å; L108-A113 PolarHBondContact O-N 3.5Å
109I96.8Very high95.3Very high19 Ų1940.6 Ų40.610%0.09723%0.225CC..Hα-helixtrans-61-44.5175.2-64.7168.8000110.7L93 V105 L107 C111 G112 V115 L141 H144L93-I109 HydrophobicContact CD1-CD1 4.49Å; L93-I109 HydrophobicContact CD1-CG1 4.1Å; L93-I109 HydrophobicContact CD2-CG1 4.4Å; V105-I109 HydrophobicContact CG1-CD1 3.75Å; V105-I109 VanDerWaalsContact O-CG1 3.22Å; V105-I109 WeakPolarHBondContact O-CG1 3.09Å; V105-I109 PolarHBondContact O-N 3.46Å; L107-I109 VanDerWaalsContact C-N 3.31Å; L107-I109 PolarHBondContact O-N 3.08Å; I109-C111 PolarHBondContact O-N 2.88Å; I109-G112 PolarHBondContact O-N 3.02Å; I109-V115 HydrophobicContact CD1-CG1 4.13Å; I109-V115 HydrophobicContact CG1-CG1 3.92Å; I109-V115 HydrophobicContact CG2-CG1 4.23Å; I109-L141 HydrophobicContact CD1-CD2 4.08Å; I109-H144 HydrophobicContact CD1-CB 4.3Å; I109-H144 HydrophobicContact CG2-CB 3.66Å; I109-H144 WeakPolarHBondContact CG2-CD2 3.34Å
110S95.9Very high95.4Very high92 Ų9240.2 Ų40.264%0.64323%0.232SC*.Hα-helixtrans-63.8-23176.270.90000113.7R106 L107 L108 G112R106-S110 PolarHBondContact O-N 2.77Å; R106-S110 VanDerWaalsContact O-N 3.07Å; R106-S110 PolarHBondContact O-OG 3.47Å; L107-S110 WeakPolarHBondContact CA-OG 3.49Å; L107-S110 PolarHBondContact O-N 2.96Å; L107-S110 VanDerWaalsContact O-N 3.11Å; L107-S110 PolarHBondContact O-OG 3.46Å; L108-S110 VanDerWaalsContact C-N 3.34Å; L108-S110 PolarHBondContact O-N 3.42Å; S110-G112 VanDerWaalsContact C-N 3.33Å
111C95.1Very high95.3Very high49 Ų4936.4 Ų36.433%0.33122%0.223SC..THydrogen-bonded Turntrans-90.79.5175-63.40000113.2C74 V80 L107 L108 I109C74-C111 HydrophobicContact CB-CB 4.17Å; C74-C111 VanDerWaalsContact CB-SG 3.59Å; V80-C111 HydrophobicContact CG1-CB 3.89Å; L107-C111 PolarHBondContact O-N 2.91Å; L107-C111 PolarHBondContact O-SG 3.22Å; L108-C111 CarbonylContact O-C 3.6Å; L108-C111 WeakPolarHBondContact O-CA 3.46Å; L108-C111 PolarHBondContact O-N 3.4Å; L108-C111 VanDerWaalsContact O-N 3.09Å; I109-C111 PolarHBondContact O-N 2.88Å
112G95Very high95.3Very high52 Ų5236.4 Ų36.454%0.53622%0.223SC..THydrogen-bonded Turntrans89.321.8175.700000115.2N81 L108 I109 S110 N114N81-G112 PolarHBondContact ND2-O 3.37Å; L108-G112 PolarHBondContact O-N 3.13Å; I109-G112 PolarHBondContact O-N 3.02Å; S110-G112 VanDerWaalsContact C-N 3.33Å; G112-N114 PolarHBondContact O-N 3.13Å
113A97.2Very high95.4Very high8 Ų836.8 Ų36.87%0.06622%0.224CC..  trans-63.3134.9172.900000111.3V80 N81 L93 L108 V115V80-A113 HydrophobicContact CB-CB 4.43Å; V80-A113 HydrophobicContact CG2-CB 4.27Å; N81-A113 WeakPolarHBondContact OD1-CA 3.4Å; L93-A113 HydrophobicContact CB-CB 4.47Å; L93-A113 HydrophobicContact CD2-CB 4.2Å; L108-A113 HydrophobicContact CB-CB 3.95Å; L108-A113 WeakPolarHBondContact O-CB 3.4Å; L108-A113 PolarHBondContact O-N 3.5Å; A113-V115 PolarHBondContact O-N 3.5Å; A113-V115 VanDerWaalsContact O-N 3.11Å
114N97.2Very high95.5Very high80 Ų8034 Ų3443%0.42820%0.204SC..  trans-70.2105.2174.8178.36.8000109.9N81 G112 N116 A117N81-N114 WeakPolarHBondContact OD1-CB 3.27Å; N81-N114 PolarHBondContact OD1-N 3.43Å; G112-N114 PolarHBondContact O-N 3.13Å; N114-N116 PolarHBondContact O-N 3.09Å; N114-N116 PolarHBondContact OD1-N 2.58Å; N114-A117 HydrophobicContact CB-CB 4.16Å; N114-A117 WeakPolarHBondContact O-CB 3.33Å; N114-A117 PolarHBondContact O-N 2.98Å; N114-A117 VanDerWaalsContact O-N 3.08Å; N114-A117 PolarHBondContact OD1-N 3.09Å
115V97.3Very high95.6Very high14 Ų1434 Ų349%0.08520%0.204CC..THydrogen-bonded Turntrans-61.3-22.3179-65.30000113.9L93 I109 A113 P125 H144 A146L93-V115 HydrophobicContact CD2-CG1 4.41Å; I109-V115 HydrophobicContact CD1-CG1 4.13Å; I109-V115 HydrophobicContact CG1-CG1 3.92Å; I109-V115 HydrophobicContact CG2-CG1 4.23Å; A113-V115 PolarHBondContact O-N 3.5Å; A113-V115 VanDerWaalsContact O-N 3.11Å; V115-P125 WeakPolarHBondContact O-CD 3.37Å; V115-H144 HydrophobicContact CG1-CB 4.27Å; V115-A146 HydrophobicContact CB-CB 4.45Å
116N96.8Very high95.7Very high43 Ų4334 Ų3423%0.2320%0.204CC..THydrogen-bonded Turntrans-109.319.3179.3-64.6-48.5000112.1N114 G145 A146 D147 M150N114-N116 PolarHBondContact O-N 3.09Å; N114-N116 PolarHBondContact OD1-N 2.58Å; N116-G145 PolarHBondContact ND2-O 2.95Å; N116-G145 VanDerWaalsContact ND2-O 3.14Å; N116-A146 WeakPolarHBondContact OD1-CA 3.28Å; N116-D147 PolarHBondContact OD1-N 3.13Å; N116-M150 HydrophobicContact CB-CE 3.8Å
117A96.2Very high95.7Very high9 Ų927.1 Ų27.17%0.07418%0.179CC..  trans-56.1147170.900000110.1T91 H94 N114 T124 P125T91-A117 HydrophobicContact CG2-CB 3.88Å; H94-A117 PolarHBondContact CE1-O 2.89Å; H94-A117 VanDerWaalsContact CE1-O 3.25Å; H94-A117 PolarHBondContact NE2-O 3.42Å; N114-A117 HydrophobicContact CB-CB 4.16Å; N114-A117 WeakPolarHBondContact O-CB 3.33Å; N114-A117 PolarHBondContact O-N 2.98Å; N114-A117 VanDerWaalsContact O-N 3.08Å; N114-A117 PolarHBondContact OD1-N 3.09Å; A117-T124 WeakPolarHBondContact O-CA 3.35Å; A117-P125 VanDerWaalsContact O-CD 3.31Å; A117-P125 WeakPolarHBondContact O-CD 3.1Å
118V95.6Very high95.7Very high48 Ų4827.1 Ų27.129%0.29118%0.178SC..  trans-114.2141.5178.1-67.90000110.6Q83 M123 T124Q83-V118 PolarHBondContact NE2-O 3.15Å; V118-M123 WeakPolarHBondContact CA-O 3.36Å; V118-T124 HydrophobicContact CG1-CG2 4.03Å
119D94.4Very high95.6Very high11 Ų1127.1 Ų27.16%0.05918%0.178CC..  trans-86.3-17717083.7-4.4000111.4S88 Q90 S121 G122 M123 M128S88-D119 WeakPolarHBondContact O-CB 3.33Å; Q90-D119 HydrophobicContact CG-CB 3.89Å; Q90-D119 PolarHBondContact NE2-OD2 2.95Å; D119-S121 PolarHBondContact O-N 3.31Å; D119-S121 VanDerWaalsContact O-N 3.12Å; D119-S121 WeakPolarHBondContact OD1-CA 3.27Å; D119-S121 WeakPolarHBondContact OD1-CB 3.44Å; D119-S121 PolarHBondContact OD1-N 3.41Å; D119-S121 PolarHBondContact OD1-OG 2.69Å; D119-G122 PolarHBondContact O-N 3.41Å; D119-G122 PolarHBondContact OD1-N 3.47Å; D119-M123 PolarHBondContact N-O 2.7Å; D119-M123 PolarHBondContact OD1-N 3.18Å; D119-M128 HydrophobicContact CB-CE 4.3Å; D119-M128 WeakPolarHBondContact OD2-CE 3.45Å
120S93.2Very high95.5Very high58 Ų5826.2 Ų26.241%0.40617%0.174SC..THydrogen-bonded Turntrans-62.5-21-177.463.60000114.3Q87 S88 G122 H154Q87-S120 WeakPolarHBondContact O-CB 3.37Å; Q87-S120 PolarHBondContact O-OG 3.29Å; S88-S120 WeakPolarHBondContact CA-OG 3.38Å; S88-S120 PolarHBondContact O-N 3.11Å; S88-S120 PolarHBondContact O-OG 3.2Å; S120-G122 VanDerWaalsContact C-N 3.33Å; S120-H154 PolarHBondContact O-NE2 3.48Å
121S90.4Very high95.4Very high30 Ų3024.4 Ų24.421%0.2116%0.161CC..THydrogen-bonded Turntrans-89.9-1.4175.8740000113.1D119 M123 M152 H154D119-S121 PolarHBondContact O-N 3.31Å; D119-S121 VanDerWaalsContact O-N 3.12Å; D119-S121 WeakPolarHBondContact OD1-CA 3.27Å; D119-S121 WeakPolarHBondContact OD1-CB 3.44Å; D119-S121 PolarHBondContact OD1-N 3.41Å; D119-S121 PolarHBondContact OD1-OG 2.69Å; S121-M123 VanDerWaalsContact C-N 3.28Å; S121-M123 WeakPolarHBondContact OG-CE 3.33Å; S121-M123 WeakPolarHBondContact OG-CG 3.45Å; S121-M152 WeakPolarHBondContact O-CE 3.39Å; S121-H154 PolarHBondContact O-CD2 3.14Å; S121-H154 VanDerWaalsContact O-CD2 3.26Å
122G92.5Very high95.2Very high2 Ų224.2 Ų24.22%0.02116%0.156CC..SBendtrans73.717.2-17200000113.7D119 S120 M152 H153D119-G122 PolarHBondContact O-N 3.41Å; D119-G122 PolarHBondContact OD1-N 3.47Å; S120-G122 VanDerWaalsContact C-N 3.33Å; G122-M152 WeakPolarHBondContact O-CA 3.42Å; G122-H153 VanDerWaalsContact CA-CD2 3.41Å; G122-H153 WeakPolarHBondContact CA-CD2 3.42Å
123M94.9Very high95Very high45 Ų4522.3 Ų22.322%0.22213%0.134CC..  trans-78.5139.9172.8-76.1-169.9-73.100110.1H94 V118 D119 S121 H127 M128 M152H94-M123 PolarHBondContact NE2-O 3.37Å; V118-M123 WeakPolarHBondContact CA-O 3.36Å; D119-M123 PolarHBondContact N-O 2.7Å; D119-M123 PolarHBondContact OD1-N 3.18Å; S121-M123 VanDerWaalsContact C-N 3.28Å; S121-M123 WeakPolarHBondContact OG-CE 3.33Å; S121-M123 WeakPolarHBondContact OG-CG 3.45Å; M123-H127 HydrophobicContact CB-CB 4.09Å; M123-H127 HydrophobicContact CG-CB 4.16Å; M123-M128 HydrophobicContact CB-CE 4.12Å; M123-M128 HydrophobicContact CE-CE 4.1Å; M123-M128 HydrophobicContact SD-CG 4.32Å; M123-M152 HydrophobicContact CG-CE 3.34Å; M123-M152 HydrophobicContact CG-CG 4.25Å; M123-M152 HydrophobicContact CG-SD 3.67Å; M123-M152 HydrophobicContact SD-CE 4.33Å
124T96.8Very high94.7Very high0 Ų023.6 Ų23.60%014%0.138CC..  trans-92.3168166.268.90000111.5A117 V118 L126 H127 M128 M150A117-T124 WeakPolarHBondContact O-CA 3.35Å; V118-T124 HydrophobicContact CG1-CG2 4.03Å; T124-L126 PolarHBondContact O-N 3.25Å; T124-L126 VanDerWaalsContact O-N 3.16Å; T124-L126 PolarHBondContact OG1-N 3.26Å; T124-H127 PolarHBondContact N-ND1 3.05Å; T124-H127 WeakPolarHBondContact O-CB 3.32Å; T124-H127 PolarHBondContact O-N 3.46Å; T124-H127 PolarHBondContact OG1-N 2.91Å; T124-H127 PolarHBondContact OG1-ND1 3.16Å; T124-M128 PolarHBondContact O-N 3.33Å; T124-M128 VanDerWaalsContact O-N 3.16Å; T124-M150 HydrophobicContact CG2-CG 4.18Å; T124-M150 HydrophobicContact CG2-SD 3.26Å; T124-M150 WeakPolarHBondContact CG2-SD 3.33Å
125P97.2Very high94.5Very high0 Ų023 Ų230%013%0.133CC..Hα-helixtrans-55.5-32.7171.1-26.636.1000112.8L93 H94 V97 V115 A117 M128 A129 L141L93-P125 HydrophobicContact CB-CG 4.23Å; L93-P125 HydrophobicContact CD2-CB 4.29Å; L93-P125 HydrophobicContact CD2-CG 3.79Å; L93-P125 HydrophobicContact CG-CB 4.03Å; L93-P125 HydrophobicContact CG-CG 3.76Å; H94-P125 VanDerWaalsContact NE2-CD 3.3Å; H94-P125 WeakPolarHBondContact NE2-CD 3.09Å; V97-P125 HydrophobicContact CG2-CB 4.01Å; V115-P125 WeakPolarHBondContact O-CD 3.37Å; A117-P125 VanDerWaalsContact O-CD 3.31Å; A117-P125 WeakPolarHBondContact O-CD 3.1Å; P125-M128 PolarHBondContact O-N 2.67Å; P125-A129 WeakPolarHBondContact O-CB 3.45Å; P125-A129 PolarHBondContact O-N 2.83Å; P125-L141 HydrophobicContact CB-CD1 3.99Å; P125-L141 HydrophobicContact CB-CD2 3.99Å
126L97.7Very high94.3Very high0 Ų026.7 Ų26.70%015%0.152CC..Hα-helixtrans-71.2-36.9177.3-174.660.3000112.5T124 M128 A129 A130 A138 L141 I142 A146 V148 P159 L185T124-L126 PolarHBondContact O-N 3.25Å; T124-L126 VanDerWaalsContact O-N 3.16Å; T124-L126 PolarHBondContact OG1-N 3.26Å; L126-M128 VanDerWaalsContact C-N 3.32Å; L126-M128 PolarHBondContact O-N 3.14Å; L126-A129 PolarHBondContact O-N 3.14Å; L126-A130 WeakPolarHBondContact O-CB 3.44Å; L126-A130 PolarHBondContact O-N 3.34Å; L126-A138 HydrophobicContact CD1-CB 4.05Å; L126-L141 HydrophobicContact CB-CD1 4.41Å; L126-L141 HydrophobicContact CD1-CB 4.36Å; L126-L141 HydrophobicContact CD1-CD1 4.45Å; L126-I142 HydrophobicContact CD1-CD1 4.16Å; L126-I142 HydrophobicContact CD1-CG1 3.89Å; L126-I142 HydrophobicContact CD2-CG1 3.95Å; L126-A146 HydrophobicContact CB-CB 4.27Å; L126-A146 HydrophobicContact CD2-CB 4Å; L126-V148 HydrophobicContact CD2-CG2 4.49Å; L126-P159 HydrophobicContact CB-CG 4.43Å; L126-P159 HydrophobicContact CD2-CB 4.43Å; L126-P159 HydrophobicContact CD2-CG 3.99Å; L126-P159 HydrophobicContact CG-CB 4.07Å; L126-P159 HydrophobicContact CG-CG 3.89Å; L126-L185 HydrophobicContact CD1-CD2 4.18Å
127H96.9Very high94.3Very high0 Ų024.7 Ų24.70%014%0.141CC..Hα-helixtrans-58.9-44.8171.4-73.294.8000111.3M123 T124 A130 S131 M150 N157 P159 L162M123-H127 HydrophobicContact CB-CB 4.09Å; M123-H127 HydrophobicContact CG-CB 4.16Å; T124-H127 PolarHBondContact N-ND1 3.05Å; T124-H127 WeakPolarHBondContact O-CB 3.32Å; T124-H127 PolarHBondContact O-N 3.46Å; T124-H127 PolarHBondContact OG1-N 2.91Å; T124-H127 PolarHBondContact OG1-ND1 3.16Å; H127-A130 PolarHBondContact O-N 3.14Å; H127-S131 PolarHBondContact O-N 3.25Å; H127-M150 PolarHBondContact CE1-O 2.97Å; H127-M150 PolarHBondContact NE2-O 3.29Å; H127-M150 VanDerWaalsContact NE2-O 3.16Å; H127-N157 PolarHBondContact NE2-O 3.31Å; H127-N157 VanDerWaalsContact NE2-O 3.13Å; H127-P159 WeakPolarHBondContact NE2-CD 3.49Å; H127-L162 HydrophobicContact CB-CD1 3.68Å; H127-L162 WeakPolarHBondContact O-CD1 3.46Å
128M95.4Very high94.3Very high10 Ų1024.2 Ų24.25%0.04914%0.138CC..Hα-helixtrans-65.5-42.1175.9-66.9-174.5-164.200112.1Q90 H94 V97 D119 M123 T124 P125 L126 A130 S131 I132Q90-M128 HydrophobicContact CG-CE 4.31Å; H94-M128 HydrophobicContact CB-CE 4Å; H94-M128 HydrophobicContact CB-SD 3.93Å; H94-M128 WeakPolarHBondContact CD2-CE 3.24Å; V97-M128 HydrophobicContact CB-CB 4.5Å; V97-M128 HydrophobicContact CG1-CB 3.85Å; D119-M128 HydrophobicContact CB-CE 4.3Å; D119-M128 WeakPolarHBondContact OD2-CE 3.45Å; M123-M128 HydrophobicContact CB-CE 4.12Å; M123-M128 HydrophobicContact CE-CE 4.1Å; M123-M128 HydrophobicContact SD-CG 4.32Å; T124-M128 PolarHBondContact O-N 3.33Å; T124-M128 VanDerWaalsContact O-N 3.16Å; P125-M128 PolarHBondContact O-N 2.67Å; L126-M128 VanDerWaalsContact C-N 3.32Å; L126-M128 PolarHBondContact O-N 3.14Å; M128-A130 VanDerWaalsContact C-N 3.27Å; M128-A130 PolarHBondContact O-N 3.35Å; M128-S131 PolarHBondContact O-N 3.14Å; M128-S131 PolarHBondContact O-OG 3.15Å; M128-I132 WeakPolarHBondContact O-CG1 3.31Å; M128-I132 PolarHBondContact O-N 3.2Å; M128-I132 VanDerWaalsContact O-N 3.11Å
129A95.5Very high94.3Very high0 Ų023.3 Ų23.30%013%0.133CC..Hα-helixtrans-61.9-38.4178.900000111.8V97 P125 L126 I132 L133 H134 I137 A138 L141V97-A129 HydrophobicContact CG1-CB 3.86Å; P125-A129 WeakPolarHBondContact O-CB 3.45Å; P125-A129 PolarHBondContact O-N 2.83Å; L126-A129 PolarHBondContact O-N 3.14Å; A129-I132 WeakPolarHBondContact O-CG1 3.35Å; A129-L133 PolarHBondContact O-N 2.8Å; A129-H134 PolarHBondContact O-N 2.92Å; A129-H134 VanDerWaalsContact O-N 3.13Å; A129-I137 HydrophobicContact CB-CG2 3.93Å; A129-A138 HydrophobicContact CB-CB 4.27Å; A129-L141 HydrophobicContact CB-CD1 3.94Å
130A95.1Very high94.3Very high0 Ų023 Ų230%013%0.132CC..Hα-helixtrans-67.4-40.9175.100000112.5L126 H127 M128 I132 L133 P159 A163 L185L126-A130 WeakPolarHBondContact O-CB 3.44Å; L126-A130 PolarHBondContact O-N 3.34Å; H127-A130 PolarHBondContact O-N 3.14Å; M128-A130 VanDerWaalsContact C-N 3.27Å; M128-A130 PolarHBondContact O-N 3.35Å; A130-I132 VanDerWaalsContact C-N 3.32Å; A130-I132 PolarHBondContact O-N 3.16Å; A130-L133 WeakPolarHBondContact O-CD2 3.43Å; A130-L133 PolarHBondContact O-N 3.07Å; A130-P159 HydrophobicContact CB-CB 3.91Å; A130-P159 VanDerWaalsContact CB-O 3.24Å; A130-P159 WeakPolarHBondContact CB-O 3.47Å; A130-A163 HydrophobicContact CB-CB 4.16Å; A130-L185 HydrophobicContact CB-CD1 4.17Å
131S93.1Very high94.5Very high53 Ų5320.3 Ų20.337%0.37111%0.113SC..Hα-helixtrans-69.7-27178.970.80000113.7H127 M128 A166H127-S131 PolarHBondContact O-N 3.25Å; M128-S131 PolarHBondContact O-N 3.14Å; M128-S131 PolarHBondContact O-OG 3.15Å; S131-A166 VanDerWaalsContact O-CB 3.27Å; S131-A166 WeakPolarHBondContact O-CB 3.44Å
132I90.9Very high94.8Very high46 Ų4619.8 Ų19.824%0.23611%0.108CC..THydrogen-bonded Turntrans-91.9-0.1173.668.5166.7000113.9V97 R100 M128 A129 A130 H134V97-I132 HydrophobicContact CG1-CD1 4.07Å; V97-I132 WeakPolarHBondContact O-CD1 3.48Å; R100-I132 HydrophobicContact CG-CD1 4.05Å; R100-I132 PolarHBondContact NH2-O 2.83Å; M128-I132 WeakPolarHBondContact O-CG1 3.31Å; M128-I132 PolarHBondContact O-N 3.2Å; M128-I132 VanDerWaalsContact O-N 3.11Å; A129-I132 WeakPolarHBondContact O-CG1 3.35Å; A130-I132 VanDerWaalsContact C-N 3.32Å; A130-I132 PolarHBondContact O-N 3.16Å; I132-H134 VanDerWaalsContact C-N 3.33Å; I132-H134 HydrophobicContact CD1-CB 3.7Å; I132-H134 HydrophobicContact CG1-CB 3.8Å; I132-H134 PolarHBondContact O-N 3.3Å
133L91.5Very high95Very high11 Ų1123.2 Ų23.26%0.05813%0.132CC..THydrogen-bonded Turntrans52.742.6-179.1-59.8167.9000114.1A129 A130 A163 A166 V167 K170 D178 C181A129-L133 PolarHBondContact O-N 2.8Å; A130-L133 WeakPolarHBondContact O-CD2 3.43Å; A130-L133 PolarHBondContact O-N 3.07Å; L133-A163 HydrophobicContact CD2-CB 4.09Å; L133-A166 HydrophobicContact CD1-CB 3.94Å; L133-A166 HydrophobicContact CD2-CB 4.13Å; L133-A166 HydrophobicContact CG-CB 3.87Å; L133-V167 HydrophobicContact CD1-CG2 3.86Å; L133-V167 HydrophobicContact CD2-CG2 3.82Å; L133-K170 HydrophobicContact CD1-CD 4.46Å; L133-D178 WeakPolarHBondContact CB-OD1 3.36Å; L133-D178 HydrophobicContact CD1-CB 3.88Å; L133-D178 WeakPolarHBondContact CD1-OD1 3.47Å; L133-C181 HydrophobicContact CD2-CB 4.46Å
134H90.9Very high95.1Very high36 Ų3625.7 Ų25.717%0.16714%0.142CC..  trans-100.491.2-177.5-155.8-47000111.7A129 I132 D136 I137 A138A129-H134 PolarHBondContact O-N 2.92Å; A129-H134 VanDerWaalsContact O-N 3.13Å; I132-H134 VanDerWaalsContact C-N 3.33Å; I132-H134 HydrophobicContact CD1-CB 3.7Å; I132-H134 HydrophobicContact CG1-CB 3.8Å; I132-H134 PolarHBondContact O-N 3.3Å; H134-D136 PolarHBondContact O-N 3.45Å; H134-I137 HydrophobicContact CB-CB 4.35Å; H134-I137 HydrophobicContact CB-CD1 4.24Å; H134-I137 HydrophobicContact CB-CG1 4.49Å; H134-I137 PolarHBondContact O-N 3.47Å; H134-A138 PolarHBondContact O-N 3.08Å
135Q92.8Very high95Very high67 Ų6728.1 Ų28.131%0.31317%0.167SC..Hα-helixtrans-52.3-50.2-174.4-175.5-173.2-1.400113.4I137 A138 S139 C181 E184Q135-I137 VanDerWaalsContact C-N 3.27Å; Q135-I137 PolarHBondContact O-N 2.98Å; Q135-A138 PolarHBondContact O-N 3.33Å; Q135-A138 VanDerWaalsContact O-N 3.15Å; Q135-S139 WeakPolarHBondContact O-CB 3.26Å; Q135-S139 PolarHBondContact O-N 2.89Å; Q135-C181 HydrophobicContact CB-CB 4.23Å; Q135-E184 HydrophobicContact CG-CB 4.17Å; Q135-E184 HydrophobicContact CG-CG 4.49Å
136D93.4Very high95Very high92 Ų9228.4 Ų28.449%0.49217%0.169SC..Hα-helixtrans-59.8-37.4-176.6-64.8-32.2000113.4L102 H134 S140L102-D136 HydrophobicContact CD1-CB 4.47Å; L102-D136 HydrophobicContact CD2-CB 3.9Å; H134-D136 PolarHBondContact O-N 3.45Å; D136-S140 VanDerWaalsContact O-CB 3.28Å; D136-S140 WeakPolarHBondContact O-CB 3.45Å; D136-S140 PolarHBondContact O-N 3.37Å
137I95.2Very high94.9Very high0 Ų031.8 Ų31.80%019%0.187CC..Hα-helixtrans-73.1-44.4178.6-65.7176000109.3V97 L102 V105 A129 H134 Q135 S140 L141V97-I137 HydrophobicContact CB-CG2 4.42Å; V97-I137 HydrophobicContact CG1-CG2 4.13Å; V97-I137 HydrophobicContact CG2-CG2 3.81Å; L102-I137 HydrophobicContact CB-CG1 4.22Å; L102-I137 HydrophobicContact CD1-CG1 3.91Å; V105-I137 HydrophobicContact CG2-CG2 4.17Å; A129-I137 HydrophobicContact CB-CG2 3.93Å; H134-I137 HydrophobicContact CB-CB 4.35Å; H134-I137 HydrophobicContact CB-CD1 4.24Å; H134-I137 HydrophobicContact CB-CG1 4.49Å; H134-I137 PolarHBondContact O-N 3.47Å; Q135-I137 VanDerWaalsContact C-N 3.27Å; Q135-I137 PolarHBondContact O-N 2.98Å; I137-S140 PolarHBondContact O-N 3.07Å; I137-L141 HydrophobicContact CG2-CD1 3.93Å; I137-L141 HydrophobicContact CG2-CG 4.42Å; I137-L141 WeakPolarHBondContact O-CG 3.2Å; I137-L141 PolarHBondContact O-N 3.46Å
138A96Very high94.9Very high0 Ų032.2 Ų32.20%019%0.19CC..Hα-helixtrans-58.4-50.7176.300000110.9L126 A129 H134 Q135 S140 L141 I142L126-A138 HydrophobicContact CD1-CB 4.05Å; A129-A138 HydrophobicContact CB-CB 4.27Å; H134-A138 PolarHBondContact O-N 3.08Å; Q135-A138 PolarHBondContact O-N 3.33Å; Q135-A138 VanDerWaalsContact O-N 3.15Å; A138-S140 VanDerWaalsContact C-N 3.31Å; A138-S140 PolarHBondContact O-N 3.38Å; A138-L141 PolarHBondContact O-N 3.5Å; A138-L141 VanDerWaalsContact O-N 3.13Å; A138-I142 WeakPolarHBondContact O-CD1 3.36Å; A138-I142 WeakPolarHBondContact O-CG1 3.4Å; A138-I142 PolarHBondContact O-N 3.48Å
139S95.8Very high94.9Very high28 Ų2833.4 Ų33.420%0.19620%0.197CC..Hα-helixtrans-60.3-40.2177.6-165.50000112.1Q135 L141 I142 S143 E184Q135-S139 WeakPolarHBondContact O-CB 3.26Å; Q135-S139 PolarHBondContact O-N 2.89Å; S139-L141 PolarHBondContact O-N 3.48Å; S139-I142 PolarHBondContact O-N 3.43Å; S139-S143 WeakPolarHBondContact O-CB 3.31Å; S139-S143 PolarHBondContact O-N 2.99Å; S139-S143 PolarHBondContact O-OG 3.19Å; S139-E184 WeakPolarHBondContact CB-OE1 3.4Å; S139-E184 PolarHBondContact OG-OE1 2.98Å
140S96.2Very high94.9Very high6 Ų635.6 Ų35.64%0.04221%0.207CC..Hα-helixtrans-64.4-39.6175.2-166.50000112.7R106 D136 I137 A138 S143 H144R106-S140 WeakPolarHBondContact CG-OG 3.41Å; D136-S140 VanDerWaalsContact O-CB 3.28Å; D136-S140 WeakPolarHBondContact O-CB 3.45Å; D136-S140 PolarHBondContact O-N 3.37Å; I137-S140 PolarHBondContact O-N 3.07Å; A138-S140 VanDerWaalsContact C-N 3.31Å; A138-S140 PolarHBondContact O-N 3.38Å; S140-S143 WeakPolarHBondContact CA-OG 3.39Å; S140-S143 PolarHBondContact O-OG 2.76Å; S140-H144 PolarHBondContact O-ND1 2.94Å
141L97.1Very high94.9Very high0 Ų040.5 Ų40.50%023%0.226CC..Hα-helixtrans-68.2-45.2177.6-72.4166.4000111.1L93 V97 V105 I109 P125 L126 A129 I137 A138 S139 H144 G145 A146L93-L141 HydrophobicContact CD1-CD2 4.33Å; L93-L141 HydrophobicContact CD2-CD2 4.23Å; L93-L141 HydrophobicContact CG-CD2 4.44Å; V97-L141 HydrophobicContact CG2-CD1 4.12Å; V105-L141 HydrophobicContact CG1-CD2 4.11Å; V105-L141 HydrophobicContact CG1-CG 4.36Å; I109-L141 HydrophobicContact CD1-CD2 4.08Å; P125-L141 HydrophobicContact CB-CD1 3.99Å; P125-L141 HydrophobicContact CB-CD2 3.99Å; L126-L141 HydrophobicContact CB-CD1 4.41Å; L126-L141 HydrophobicContact CD1-CB 4.36Å; L126-L141 HydrophobicContact CD1-CD1 4.45Å; A129-L141 HydrophobicContact CB-CD1 3.94Å; I137-L141 HydrophobicContact CG2-CD1 3.93Å; I137-L141 HydrophobicContact CG2-CG 4.42Å; I137-L141 WeakPolarHBondContact O-CG 3.2Å; I137-L141 PolarHBondContact O-N 3.46Å; A138-L141 PolarHBondContact O-N 3.5Å; A138-L141 VanDerWaalsContact O-N 3.13Å; S139-L141 PolarHBondContact O-N 3.48Å; L141-H144 CarbonylContact O-C 3.57Å; L141-H144 PolarHBondContact O-N 2.98Å; L141-H144 VanDerWaalsContact O-N 3.16Å; L141-G145 PolarHBondContact O-N 2.81Å; L141-A146 VanDerWaalsContact C-CB 3.5Å; L141-A146 HydrophobicContact CB-CB 3.94Å; L141-A146 WeakPolarHBondContact O-CB 3.33Å; L141-A146 PolarHBondContact O-N 3.29Å; L141-A146 VanDerWaalsContact O-N 3.07Å
142I96.9Very high94.9Very high20 Ų2038.9 Ų38.910%0.10321%0.213CC..Hα-helixtrans-64.5-44-178.6-62.9166.5000111.3L126 A138 S139 H144 G145 V148 L185 R188L126-I142 HydrophobicContact CD1-CD1 4.16Å; L126-I142 HydrophobicContact CD1-CG1 3.89Å; L126-I142 HydrophobicContact CD2-CG1 3.95Å; A138-I142 WeakPolarHBondContact O-CD1 3.36Å; A138-I142 WeakPolarHBondContact O-CG1 3.4Å; A138-I142 PolarHBondContact O-N 3.48Å; S139-I142 PolarHBondContact O-N 3.43Å; I142-H144 PolarHBondContact O-N 3.17Å; I142-H144 VanDerWaalsContact O-N 3.12Å; I142-G145 PolarHBondContact O-N 3.47Å; I142-V148 HydrophobicContact CD1-CG2 4.22Å; I142-V148 HydrophobicContact CG1-CG2 3.98Å; I142-V148 HydrophobicContact CG2-CG2 3.8Å; I142-L185 HydrophobicContact CD1-CD2 3.87Å; I142-R188 HydrophobicContact CD1-CB 4.16Å; I142-R188 HydrophobicContact CD1-CG 4.08Å; I142-R188 HydrophobicContact CG2-CB 3.73Å; I142-R188 HydrophobicContact CG2-CG 3.76Å
143S96.3Very high94.8Very high74 Ų7443 Ų4352%0.51723%0.231SC..Hα-helixtrans-61.1-19.8176.9520000113.8S139 S140S139-S143 WeakPolarHBondContact O-CB 3.31Å; S139-S143 PolarHBondContact O-N 2.99Å; S139-S143 PolarHBondContact O-OG 3.19Å; S140-S143 WeakPolarHBondContact CA-OG 3.39Å; S140-S143 PolarHBondContact O-OG 2.76Å
144H95.8Very high94.5Very high97 Ų9748.1 Ų48.145%0.44925%0.254SS..THydrogen-bonded Turntrans-105.120176.8-64.876.1000112.9I109 V115 S140 L141 I142I109-H144 HydrophobicContact CD1-CB 4.3Å; I109-H144 HydrophobicContact CG2-CB 3.66Å; I109-H144 WeakPolarHBondContact CG2-CD2 3.34Å; V115-H144 HydrophobicContact CG1-CB 4.27Å; S140-H144 PolarHBondContact O-ND1 2.94Å; L141-H144 CarbonylContact O-C 3.57Å; L141-H144 PolarHBondContact O-N 2.98Å; L141-H144 VanDerWaalsContact O-N 3.16Å; I142-H144 PolarHBondContact O-N 3.17Å; I142-H144 VanDerWaalsContact O-N 3.12Å
145G94.8Very high94.5Very high50 Ų5047.9 Ų47.952%0.51526%0.257SS..THydrogen-bonded Turntrans92.518.4170.100000115.7N116 L141 I142 D147N116-G145 PolarHBondContact ND2-O 2.95Å; N116-G145 VanDerWaalsContact ND2-O 3.14Å; L141-G145 PolarHBondContact O-N 2.81Å; I142-G145 PolarHBondContact O-N 3.47Å; G145-D147 PolarHBondContact O-N 2.91Å
146A97Very high94.6Very high6 Ų645.3 Ų45.35%0.0525%0.247CC..  trans-64.4132.5169.800000110.9V115 N116 L126 L141 V148V115-A146 HydrophobicContact CB-CB 4.45Å; N116-A146 WeakPolarHBondContact OD1-CA 3.28Å; L126-A146 HydrophobicContact CB-CB 4.27Å; L126-A146 HydrophobicContact CD2-CB 4Å; L141-A146 VanDerWaalsContact C-CB 3.5Å; L141-A146 HydrophobicContact CB-CB 3.94Å; L141-A146 WeakPolarHBondContact O-CB 3.33Å; L141-A146 PolarHBondContact O-N 3.29Å; L141-A146 VanDerWaalsContact O-N 3.07Å; A146-V148 PolarHBondContact O-N 3.5Å
147D96.3Very high94.7Very high71 Ų7142 Ų4238%0.3823%0.23SC..  trans-76.1107.8177.81793.8000110.5N116 G145 N149 M150N116-D147 PolarHBondContact OD1-N 3.13Å; G145-D147 PolarHBondContact O-N 2.91Å; D147-N149 PolarHBondContact O-N 3.04Å; D147-N149 PolarHBondContact OD1-N 3.36Å; D147-M150 HydrophobicContact CB-CB 4.05Å; D147-M150 HydrophobicContact CB-CE 3.85Å; D147-M150 PolarHBondContact O-N 3.35Å; D147-M150 PolarHBondContact OD1-N 2.93Å
148V96.8Very high94.7Very high10 Ų1042.1 Ų42.16%0.06123%0.23CC..THydrogen-bonded Turntrans-62-23.1-179-169.50000112.9L126 I142 A146 P159 L185 R188 A190L126-V148 HydrophobicContact CD2-CG2 4.49Å; I142-V148 HydrophobicContact CD1-CG2 4.22Å; I142-V148 HydrophobicContact CG1-CG2 3.98Å; I142-V148 HydrophobicContact CG2-CG2 3.8Å; A146-V148 PolarHBondContact O-N 3.5Å; V148-P159 WeakPolarHBondContact O-CD 3.46Å; V148-L185 HydrophobicContact CG1-CD2 4.05Å; V148-R188 HydrophobicContact CG2-CB 4.26Å; V148-A190 HydrophobicContact CG1-CB 3.58Å
149N96.1Very high94.8Very high34 Ų3442.1 Ų42.118%0.18223%0.23CC..THydrogen-bonded Turntrans-111.110.6-176.5-66.9-64.2000113.1D147 G189 K191 I194D147-N149 PolarHBondContact O-N 3.04Å; D147-N149 PolarHBondContact OD1-N 3.36Å; N149-G189 PolarHBondContact ND2-O 3.37Å; N149-K191 PolarHBondContact OD1-N 3.03Å; N149-I194 HydrophobicContact CB-CD1 3.78Å; N149-I194 WeakPolarHBondContact OD1-CD1 3.14Å
150M95.4Very high94.8Very high46 Ų4640.8 Ų40.823%0.22722%0.221CC..  trans-57.9144178-169.7163.6-63.800110.6N116 T124 H127 D147 T158 P159N116-M150 HydrophobicContact CB-CE 3.8Å; T124-M150 HydrophobicContact CG2-CG 4.18Å; T124-M150 HydrophobicContact CG2-SD 3.26Å; T124-M150 WeakPolarHBondContact CG2-SD 3.33Å; H127-M150 PolarHBondContact CE1-O 2.97Å; H127-M150 PolarHBondContact NE2-O 3.29Å; H127-M150 VanDerWaalsContact NE2-O 3.16Å; D147-M150 HydrophobicContact CB-CB 4.05Å; D147-M150 HydrophobicContact CB-CE 3.85Å; D147-M150 PolarHBondContact O-N 3.35Å; D147-M150 PolarHBondContact OD1-N 2.93Å; M150-T158 WeakPolarHBondContact O-CA 3.38Å; M150-P159 WeakPolarHBondContact O-CD 3.36Å
151R94.9Very high94.7Very high103 Ų10340.5 Ų40.539%0.38922%0.219SC..  trans-108.6132.9-178.4-61.5171.365.278.2-11.8109.2A156 N157 T158 V195R151-A156 PolarHBondContact NH1-O 3.08Å; R151-A156 VanDerWaalsContact NH1-O 3.15Å; R151-N157 WeakPolarHBondContact CA-O 3.22Å; R151-T158 HydrophobicContact CG-CG2 4.11Å; R151-V195 PolarHBondContact NH1-O 2.95Å; R151-V195 PolarHBondContact NH2-O 3.46Å
152M93.8Very high94.5Very high20 Ų2042 Ų4210%0.09923%0.226CC..  trans-59.5147.6171.4-67.7-177.956.600111.5S121 G122 M123 H154 A156 N157 L162S121-M152 WeakPolarHBondContact O-CE 3.39Å; G122-M152 WeakPolarHBondContact O-CA 3.42Å; M123-M152 HydrophobicContact CG-CE 3.34Å; M123-M152 HydrophobicContact CG-CG 4.25Å; M123-M152 HydrophobicContact CG-SD 3.67Å; M123-M152 HydrophobicContact SD-CE 4.33Å; M152-H154 PolarHBondContact O-N 2.99Å; M152-A156 WeakPolarHBondContact O-CA 3.4Å; M152-A156 PolarHBondContact O-N 3.34Å; M152-N157 PolarHBondContact N-O 3.23Å; M152-N157 HydrophobicContact SD-CB 4.17Å; M152-L162 HydrophobicContact SD-CD1 4.14Å
153H87.9Confident94.4Very high131 Ų13141 Ų4161%0.60622%0.221SC*.THydrogen-bonded Turntrans-62.1-44.2-179-71.7-52.6000113.6G122G122-H153 VanDerWaalsContact CA-CD2 3.41Å; G122-H153 WeakPolarHBondContact CA-CD2 3.42Å
154H85.6Confident94.2Very high119 Ų11937.5 Ų37.555%0.55120%0.197SC*.THydrogen-bonded Turntrans-84-66.3-175-53.3-48.7000110.8S120 S121 M152 A156S120-H154 PolarHBondContact O-NE2 3.48Å; S121-H154 PolarHBondContact O-CD2 3.14Å; S121-H154 VanDerWaalsContact O-CD2 3.26Å; M152-H154 PolarHBondContact O-N 2.99Å; H154-A156 VanDerWaalsContact C-N 3.34Å; H154-A156 PolarHBondContact O-N 3.36Å
155S90.8Very high93.9Very high31 Ų3135.2 Ų35.222%0.21719%0.19CC..THydrogen-bonded Turntrans-80.2-11.6-173.761.40000115.2N157 N196 E197S155-N157 WeakPolarHBondContact CB-ND2 3.36Å; S155-N157 PolarHBondContact O-N 2.89Å; S155-N157 WeakPolarHBondContact OG-CB 3.39Å; S155-N157 PolarHBondContact OG-N 3.47Å; S155-N157 PolarHBondContact OG-ND2 2.91Å; S155-N196 WeakPolarHBondContact O-CB 3.33Å; S155-E197 WeakPolarHBondContact O-CB 3.49Å; S155-E197 PolarHBondContact O-N 2.62Å
156A94.4Very high93.8Very high14 Ų1433.4 Ų33.412%0.11617%0.17CC..  trans54.118.8-171.100000115.1R151 M152 H154 E197R151-A156 PolarHBondContact NH1-O 3.08Å; R151-A156 VanDerWaalsContact NH1-O 3.15Å; M152-A156 WeakPolarHBondContact O-CA 3.4Å; M152-A156 PolarHBondContact O-N 3.34Å; H154-A156 VanDerWaalsContact C-N 3.34Å; H154-A156 PolarHBondContact O-N 3.36Å; A156-E197 HydrophobicContact CB-CB 4.31Å
157N95.1Very high93.3Very high23 Ų2333.2 Ų33.212%0.12317%0.168CC..  trans-65.3144.6171.1-75.4-36.1000109.8H127 R151 M152 S155 H161 L162 N196H127-N157 PolarHBondContact NE2-O 3.31Å; H127-N157 VanDerWaalsContact NE2-O 3.13Å; R151-N157 WeakPolarHBondContact CA-O 3.22Å; M152-N157 PolarHBondContact N-O 3.23Å; M152-N157 HydrophobicContact SD-CB 4.17Å; S155-N157 WeakPolarHBondContact CB-ND2 3.36Å; S155-N157 PolarHBondContact O-N 2.89Å; S155-N157 WeakPolarHBondContact OG-CB 3.39Å; S155-N157 PolarHBondContact OG-N 3.47Å; S155-N157 PolarHBondContact OG-ND2 2.91Å; N157-H161 HydrophobicContact CB-CB 3.96Å; N157-L162 HydrophobicContact CB-CD2 4.38Å; N157-N196 WeakPolarHBondContact OD1-CB 3.44Å; N157-N196 PolarHBondContact OD1-ND2 3.28Å
158T96.4Very high92.5Very high1 Ų132.7 Ų32.71%0.00616%0.164CC..  trans-98.2168.1170.468.10000110.3M150 R151 L160 H161 L162 I194M150-T158 WeakPolarHBondContact O-CA 3.38Å; R151-T158 HydrophobicContact CG-CG2 4.11Å; T158-L160 PolarHBondContact O-N 3.32Å; T158-L160 VanDerWaalsContact O-N 3.14Å; T158-H161 PolarHBondContact N-ND1 3.49Å; T158-H161 WeakPolarHBondContact O-CB 3.44Å; T158-H161 PolarHBondContact O-N 3.43Å; T158-H161 PolarHBondContact OG1-ND1 3.02Å; T158-L162 PolarHBondContact O-N 3.34Å; T158-I194 HydrophobicContact CG2-CB 4.19Å; T158-I194 HydrophobicContact CG2-CD1 4.06Å; T158-I194 HydrophobicContact CG2-CG2 3.61Å
159P96.4Very high91.7Very high0 Ų037.3 Ų37.30%019%0.192CC..Hα-helixtrans-52.4-37.6173.8-27.936000112.7L126 H127 A130 V148 M150 H161 L162 A163 L185L126-P159 HydrophobicContact CB-CG 4.43Å; L126-P159 HydrophobicContact CD2-CB 4.43Å; L126-P159 HydrophobicContact CD2-CG 3.99Å; L126-P159 HydrophobicContact CG-CB 4.07Å; L126-P159 HydrophobicContact CG-CG 3.89Å; H127-P159 WeakPolarHBondContact NE2-CD 3.49Å; A130-P159 HydrophobicContact CB-CB 3.91Å; A130-P159 VanDerWaalsContact CB-O 3.24Å; A130-P159 WeakPolarHBondContact CB-O 3.47Å; V148-P159 WeakPolarHBondContact O-CD 3.46Å; M150-P159 WeakPolarHBondContact O-CD 3.36Å; P159-H161 PolarHBondContact O-N 3.15Å; P159-L162 PolarHBondContact O-N 3.46Å; P159-A163 PolarHBondContact O-N 2.81Å; P159-L185 HydrophobicContact CB-CD2 4.31Å
160L95.9Very high90.7Very high1 Ų139.1 Ų39.11%0.00520%0.199CC..Hα-helixtrans-65.7-34.1177.5-172.662.5000113.6T158 A164 V182 L186 A190 P192 P202 L218T158-L160 PolarHBondContact O-N 3.32Å; T158-L160 VanDerWaalsContact O-N 3.14Å; L160-A164 WeakPolarHBondContact O-CB 3.49Å; L160-A164 PolarHBondContact O-N 3.27Å; L160-V182 HydrophobicContact CD1-CG1 3.84Å; L160-L186 HydrophobicContact CD1-CD2 4.16Å; L160-L186 HydrophobicContact CD1-CG 4.25Å; L160-L186 HydrophobicContact CD2-CD2 3.73Å; L160-A190 HydrophobicContact CB-CB 4.26Å; L160-A190 HydrophobicContact CD2-CB 3.98Å; L160-P192 HydrophobicContact CD2-CB 4.16Å; L160-P202 HydrophobicContact CB-CG 4.2Å; L160-P202 HydrophobicContact CD2-CB 4.09Å; L160-P202 HydrophobicContact CD2-CG 3.99Å; L160-P202 HydrophobicContact CG-CB 3.9Å; L160-P202 HydrophobicContact CG-CG 3.98Å; L160-L218 HydrophobicContact CD1-CD2 4.4Å; L160-L218 HydrophobicContact CD2-CD2 4.24Å
161H94.8Very high89Confident0 Ų042.3 Ų42.30%023%0.232CC..Hα-helixtrans-62.5-46.2173.1-69.983.4000110.5N157 T158 P159 A164 V165 I194 M200 P202 Q205N157-H161 HydrophobicContact CB-CB 3.96Å; T158-H161 PolarHBondContact N-ND1 3.49Å; T158-H161 WeakPolarHBondContact O-CB 3.44Å; T158-H161 PolarHBondContact O-N 3.43Å; T158-H161 PolarHBondContact OG1-ND1 3.02Å; P159-H161 PolarHBondContact O-N 3.15Å; H161-A164 PolarHBondContact O-N 3.35Å; H161-V165 WeakPolarHBondContact O-CG2 3.45Å; H161-V165 PolarHBondContact O-N 3.45Å; H161-V165 VanDerWaalsContact O-N 3.09Å; H161-I194 PolarHBondContact CE1-O 3.12Å; H161-I194 PolarHBondContact NE2-O 3.33Å; H161-M200 PolarHBondContact NE2-O 3.14Å; H161-M200 VanDerWaalsContact NE2-O 3.14Å; H161-P202 WeakPolarHBondContact CE1-CD 3.41Å; H161-P202 VanDerWaalsContact NE2-CD 3.31Å; H161-P202 WeakPolarHBondContact NE2-CD 3.48Å; H161-Q205 PolarHBondContact CD2-OE1 3.25Å; H161-Q205 PolarHBondContact O-OE1 3.44Å
162L94.1Very high87.3Confident30 Ų3041.3 Ų41.316%0.15724%0.238CC..Hα-helixtrans-66.8-41.1-179.1-62.2-177.7000111.9H127 M152 N157 T158 P159 V165 A166H127-L162 HydrophobicContact CB-CD1 3.68Å; H127-L162 WeakPolarHBondContact O-CD1 3.46Å; M152-L162 HydrophobicContact SD-CD1 4.14Å; N157-L162 HydrophobicContact CB-CD2 4.38Å; T158-L162 PolarHBondContact O-N 3.34Å; P159-L162 PolarHBondContact O-N 3.46Å; L162-V165 PolarHBondContact O-N 2.96Å; L162-A166 WeakPolarHBondContact O-CB 3.16Å; L162-A166 PolarHBondContact O-N 3.27Å
163A93.5Very high85.8Confident0 Ų049.6 Ų49.60%027%0.273CS..Hα-helixtrans-61-44.5175.200000111.4A130 L133 P159 V165 A166 V167 V182 L185A130-A163 HydrophobicContact CB-CB 4.16Å; L133-A163 HydrophobicContact CD2-CB 4.09Å; P159-A163 PolarHBondContact O-N 2.81Å; A163-V165 PolarHBondContact O-N 2.88Å; A163-A166 PolarHBondContact O-N 2.72Å; A163-V167 WeakPolarHBondContact O-CG2 3.35Å; A163-V167 PolarHBondContact O-N 2.91Å; A163-V182 HydrophobicContact CB-CG2 3.95Å; A163-L185 HydrophobicContact CB-CD1 3.92Å
164A91.9Very high84.6Confident1 Ų145.7 Ų45.71%0.00826%0.258CS..Hα-helixtrans-60.8-42.9178.800000112.8L160 H161 T206 L214L160-A164 WeakPolarHBondContact O-CB 3.49Å; L160-A164 PolarHBondContact O-N 3.27Å; H161-A164 PolarHBondContact O-N 3.35Å; A164-T206 HydrophobicContact CB-CG2 3.84Å; A164-L214 HydrophobicContact CB-CD2 3.97Å
165V91Very high83.6Confident49 Ų4944.2 Ų44.230%0.29725%0.254SS..Hα-helixtrans-69.3-42.6175.8174.70000111.1H161 L162 A163 V167 M168 T169H161-V165 WeakPolarHBondContact O-CG2 3.45Å; H161-V165 PolarHBondContact O-N 3.45Å; H161-V165 VanDerWaalsContact O-N 3.09Å; L162-V165 PolarHBondContact O-N 2.96Å; A163-V165 PolarHBondContact O-N 2.88Å; V165-V167 VanDerWaalsContact C-N 3.34Å; V165-V167 PolarHBondContact O-N 3.12Å; V165-M168 WeakPolarHBondContact O-CB 3.24Å; V165-M168 PolarHBondContact O-N 3.14Å; V165-T169 HydrophobicContact CG1-CG2 3.94Å; V165-T169 PolarHBondContact O-N 3.31Å; V165-T169 PolarHBondContact O-OG1 3.04Å
166A90.8Very high82.7Confident11 Ų1149.6 Ų49.69%0.09128%0.28CS..Hα-helixtrans-60.8-41-177.600000112.7S131 L133 L162 A163 M168 T169 K170S131-A166 VanDerWaalsContact O-CB 3.27Å; S131-A166 WeakPolarHBondContact O-CB 3.44Å; L133-A166 HydrophobicContact CD1-CB 3.94Å; L133-A166 HydrophobicContact CD2-CB 4.13Å; L133-A166 HydrophobicContact CG-CB 3.87Å; L162-A166 WeakPolarHBondContact O-CB 3.16Å; L162-A166 PolarHBondContact O-N 3.27Å; A163-A166 PolarHBondContact O-N 2.72Å; A166-M168 PolarHBondContact O-N 3.26Å; A166-M168 VanDerWaalsContact O-N 3.17Å; A166-T169 PolarHBondContact O-N 3.04Å; A166-T169 PolarHBondContact O-OG1 3.49Å; A166-K170 PolarHBondContact O-N 3.46Å
167V88Confident81.7Confident2 Ų255.7 Ų55.71%0.01231%0.306CS..Hα-helixtrans-55.8-32.7176167.40000111.2L133 A163 V165 V174 D178 M179 V182L133-V167 HydrophobicContact CD1-CG2 3.86Å; L133-V167 HydrophobicContact CD2-CG2 3.82Å; A163-V167 WeakPolarHBondContact O-CG2 3.35Å; A163-V167 PolarHBondContact O-N 2.91Å; V165-V167 VanDerWaalsContact C-N 3.34Å; V165-V167 PolarHBondContact O-N 3.12Å; V167-V174 HydrophobicContact CG1-CG1 4.28Å; V167-V174 HydrophobicContact CG1-CG2 4.1Å; V167-D178 HydrophobicContact CG2-CB 4.43Å; V167-M179 HydrophobicContact CG1-CE 3.57Å; V167-M179 HydrophobicContact CG1-SD 4.43Å; V167-V182 HydrophobicContact CG2-CG2 4.08Å
168M78.8Confident81Confident61 Ų6154.8 Ų54.830%0.330%0.301SS..Hα-helixtrans-89.4-37.8-176-63-53-69.600113.9V165 A166 K170 L209 N211V165-M168 WeakPolarHBondContact O-CB 3.24Å; V165-M168 PolarHBondContact O-N 3.14Å; A166-M168 PolarHBondContact O-N 3.26Å; A166-M168 VanDerWaalsContact O-N 3.17Å; M168-K170 PolarHBondContact O-N 3.38Å; M168-L209 HydrophobicContact CB-CD1 3.9Å; M168-L209 HydrophobicContact CE-CB 3.97Å; M168-L209 VanDerWaalsContact CE-O 3.3Å; M168-L209 WeakPolarHBondContact CE-O 3.34Å; M168-L209 HydrophobicContact CG-CB 3.95Å; M168-L209 HydrophobicContact CG-CD1 3.69Å; M168-L209 HydrophobicContact CG-CG 4.41Å; M168-N211 HydrophobicContact CE-CB 3.86Å; M168-N211 HydrophobicContact SD-CB 3.44Å; M168-N211 WeakPolarHBondContact SD-CB 3.33Å; M168-N211 PolarHBondContact SD-ND2 3.09Å
169T80.8Confident80.5Confident106 Ų10655.8 Ų55.865%0.6531%0.307SS*.Hα-helixtrans-74.7-11.7-178.454.40000113.3V165 A166 A171V165-T169 HydrophobicContact CG1-CG2 3.94Å; V165-T169 PolarHBondContact O-N 3.31Å; V165-T169 PolarHBondContact O-OG1 3.04Å; A166-T169 PolarHBondContact O-N 3.04Å; A166-T169 PolarHBondContact O-OG1 3.49Å; T169-A171 PolarHBondContact O-N 3.48Å
170K75.4Confident80.2Confident73 Ų7357.8 Ų57.832%0.31732%0.32SS..  trans-71.5116.9-179.8-143.7174.4178.1-172.20109.2L133 A166 M168 T172 D178L133-K170 HydrophobicContact CD1-CD 4.46Å; A166-K170 PolarHBondContact O-N 3.46Å; M168-K170 PolarHBondContact O-N 3.38Å; K170-T172 PolarHBondContact O-N 2.74Å; K170-T172 VanDerWaalsContact O-N 3.16Å; K170-D178 WeakPolarHBondContact CD-OD2 3.45Å; K170-D178 IonicContact NZ-OD1 3.51Å; K170-D178 PolarHBondContact NZ-OD1 3.38Å; K170-D178 IonicContact NZ-OD2 3.2Å; K170-D178 PolarHBondContact NZ-OD2 3.47Å
171A57.9Low80Confident112 Ų11257.7 Ų57.793%0.92632%0.32SS*.SBendtrans-65.3-16.2-178.100000113.9T169T169-A171 PolarHBondContact O-N 3.48Å
172T60.8Low79.9Confident83 Ų8357.7 Ų57.751%0.50932%0.32SS..SBendtrans-90.8147.6176.956.20000110.4K170 V174K170-T172 PolarHBondContact O-N 2.74Å; K170-T172 VanDerWaalsContact O-N 3.16Å; T172-V174 PolarHBondContact O-N 3.47Å
173K62.2Low79.8Confident194 Ų19457.6 Ų57.684%0.84332%0.322SS*.  trans-42.2130.2171.7-74-179.4176.7-179.70110.4L175K173-L175 PolarHBondContact O-N 3.07Å; K173-L175 VanDerWaalsContact O-N 3.08Å
174V61.6Low79.8Confident49 Ų4958.4 Ų58.430%0.29733%0.325SS..  trans-47117.3173.31760000108V167 T172 M179V167-V174 HydrophobicContact CG1-CG1 4.28Å; V167-V174 HydrophobicContact CG1-CG2 4.1Å; T172-V174 PolarHBondContact O-N 3.47Å; V174-M179 HydrophobicContact CG1-CE 3.59Å; V174-M179 HydrophobicContact CG1-CG 3.94Å
175L65.6Low79.9Confident87 Ų8758.3 Ų58.346%0.45533%0.325SS..  trans-85.9151.4175-65.3170.9000108.8K173 E177 D178K173-L175 PolarHBondContact O-N 3.07Å; K173-L175 VanDerWaalsContact O-N 3.08Å; L175-E177 HydrophobicContact CB-CB 4.48Å; L175-E177 PolarHBondContact O-N 3.37Å; L175-E177 VanDerWaalsContact O-N 3.09Å; L175-D178 PolarHBondContact N-OD2 3.11Å; L175-D178 WeakPolarHBondContact O-CB 3.31Å; L175-D178 PolarHBondContact O-N 3.15Å
176D71Confident80.1Confident145 Ų14556.2 Ų56.278%0.77531%0.312SS*.Hα-helixtrans-56.2-28.9175-64.3-36.5000112D178 M179 S180D176-D178 VanDerWaalsContact C-N 3.33Å; D176-D178 PolarHBondContact O-N 2.9Å; D176-M179 PolarHBondContact O-N 3.32Å; D176-S180 WeakPolarHBondContact O-CB 3.44Å; D176-S180 PolarHBondContact O-N 2.98Å; D176-S180 PolarHBondContact O-OG 2.78Å
177E73.6Confident80.2Confident141 Ų14161.5 Ų61.566%0.65934%0.335SS*.Hα-helixtrans-62.6-36.2174.4-61.4179.6-17900112.9L175 S180 C181L175-E177 HydrophobicContact CB-CB 4.48Å; L175-E177 PolarHBondContact O-N 3.37Å; L175-E177 VanDerWaalsContact O-N 3.09Å; E177-S180 WeakPolarHBondContact O-CB 3.2Å; E177-S180 PolarHBondContact O-N 3.08Å; E177-C181 PolarHBondContact O-N 3.32Å
178D80.5Confident80.5Confident4 Ų467.5 Ų67.52%0.02136%0.357CS..Hα-helixtrans-68.3-42.6-178.2-71.8-38.3000110.8L133 V167 K170 L175 D176 S180 C181L133-D178 WeakPolarHBondContact CB-OD1 3.36Å; L133-D178 HydrophobicContact CD1-CB 3.88Å; L133-D178 WeakPolarHBondContact CD1-OD1 3.47Å; V167-D178 HydrophobicContact CG2-CB 4.43Å; K170-D178 WeakPolarHBondContact CD-OD2 3.45Å; K170-D178 IonicContact NZ-OD1 3.51Å; K170-D178 PolarHBondContact NZ-OD1 3.38Å; K170-D178 IonicContact NZ-OD2 3.2Å; K170-D178 PolarHBondContact NZ-OD2 3.47Å; L175-D178 PolarHBondContact N-OD2 3.11Å; L175-D178 WeakPolarHBondContact O-CB 3.31Å; L175-D178 PolarHBondContact O-N 3.15Å; D176-D178 VanDerWaalsContact C-N 3.33Å; D176-D178 PolarHBondContact O-N 2.9Å; D178-S180 VanDerWaalsContact C-N 3.32Å; D178-C181 PolarHBondContact O-N 3.25Å
179M85.8Confident81.1Confident23 Ų2366.4 Ų66.411%0.11336%0.362CS..Hα-helixtrans-68.3-33.1173.9-69.3-64.5174.600111.9V167 V174 D176 C181 V182 S183 Q213 L214 L217V167-M179 HydrophobicContact CG1-CE 3.57Å; V167-M179 HydrophobicContact CG1-SD 4.43Å; V174-M179 HydrophobicContact CG1-CE 3.59Å; V174-M179 HydrophobicContact CG1-CG 3.94Å; D176-M179 PolarHBondContact O-N 3.32Å; M179-C181 VanDerWaalsContact C-N 3.28Å; M179-C181 PolarHBondContact O-N 3.24Å; M179-V182 PolarHBondContact O-N 2.82Å; M179-V182 VanDerWaalsContact O-N 3.14Å; M179-S183 PolarHBondContact O-N 2.9Å; M179-S183 PolarHBondContact O-OG 3.13Å; M179-S183 VanDerWaalsContact O-OG 3.09Å; M179-Q213 HydrophobicContact CE-CB 3.92Å; M179-L214 HydrophobicContact CE-CB 4.21Å; M179-L214 HydrophobicContact SD-CD1 3.94Å; M179-L217 HydrophobicContact SD-CD2 4.39Å
180S90Very high81.8Confident41 Ų4161.7 Ų61.729%0.28733%0.333SS..Hα-helixtrans-62.1-34.6178.1-59.10000112.4D176 E177 D178 S183 E184D176-S180 WeakPolarHBondContact O-CB 3.44Å; D176-S180 PolarHBondContact O-N 2.98Å; D176-S180 PolarHBondContact O-OG 2.78Å; E177-S180 WeakPolarHBondContact O-CB 3.2Å; E177-S180 PolarHBondContact O-N 3.08Å; D178-S180 VanDerWaalsContact C-N 3.32Å; S180-S183 PolarHBondContact O-N 3.18Å; S180-E184 PolarHBondContact O-N 2.9Å
181C91.4Very high82.6Confident0 Ų064.2 Ų64.20%034%0.344CS..Hα-helixtrans-64.1-43.5173-171.50000112.4L133 Q135 E177 D178 M179 E184 L185L133-C181 HydrophobicContact CD2-CB 4.46Å; Q135-C181 HydrophobicContact CB-CB 4.23Å; E177-C181 PolarHBondContact O-N 3.32Å; D178-C181 PolarHBondContact O-N 3.25Å; M179-C181 VanDerWaalsContact C-N 3.28Å; M179-C181 PolarHBondContact O-N 3.24Å; C181-E184 PolarHBondContact O-N 3.02Å; C181-L185 WeakPolarHBondContact O-CG 3.32Å; C181-L185 PolarHBondContact O-N 3.22Å; C181-L185 VanDerWaalsContact O-N 3.12Å
182V93.3Very high84.2Confident0 Ų059.1 Ų59.10%030%0.302CS..Hα-helixtrans-64.4-44.1176.7-179.70000110.6L160 A163 V167 M179 E184 L185 L186 L214 L217L160-V182 HydrophobicContact CD1-CG1 3.84Å; A163-V182 HydrophobicContact CB-CG2 3.95Å; V167-V182 HydrophobicContact CG2-CG2 4.08Å; M179-V182 PolarHBondContact O-N 2.82Å; M179-V182 VanDerWaalsContact O-N 3.14Å; V182-E184 PolarHBondContact O-N 3.45Å; V182-L185 PolarHBondContact O-N 3.09Å; V182-L186 HydrophobicContact CG1-CD1 3.85Å; V182-L186 HydrophobicContact CG1-CG 4.41Å; V182-L186 WeakPolarHBondContact O-CG 3.08Å; V182-L186 PolarHBondContact O-N 3Å; V182-L214 HydrophobicContact CB-CD1 4.31Å; V182-L214 HydrophobicContact CG1-CD1 3.81Å; V182-L214 HydrophobicContact CG2-CD1 4.09Å; V182-L217 HydrophobicContact CB-CD2 3.82Å; V182-L217 HydrophobicContact CG1-CD2 3.65Å
183S92.3Very high85.7Confident28 Ų2857.3 Ų57.320%0.19629%0.289CS..Hα-helixtrans-57.3-47.6176.1-61.80000111.5M179 S180 L185 L186 E187 L217M179-S183 PolarHBondContact O-N 2.9Å; M179-S183 PolarHBondContact O-OG 3.13Å; M179-S183 VanDerWaalsContact O-OG 3.09Å; S180-S183 PolarHBondContact O-N 3.18Å; S183-L185 VanDerWaalsContact C-N 3.35Å; S183-L185 PolarHBondContact O-N 2.97Å; S183-L186 PolarHBondContact O-N 3.3Å; S183-L186 VanDerWaalsContact O-N 3.16Å; S183-E187 WeakPolarHBondContact O-CB 3.4Å; S183-E187 WeakPolarHBondContact O-CG 3.28Å; S183-E187 PolarHBondContact O-N 3.48Å; S183-L217 WeakPolarHBondContact OG-CD1 3.47Å
184E92.9Very high87.1Confident16 Ų1649.6 Ų49.68%0.07526%0.257CS..Hα-helixtrans-57.8-45.8176.8-179.872.1-162.200111.3Q135 S139 S180 C181 V182 L186 E187 R188Q135-E184 HydrophobicContact CG-CB 4.17Å; Q135-E184 HydrophobicContact CG-CG 4.49Å; S139-E184 WeakPolarHBondContact CB-OE1 3.4Å; S139-E184 PolarHBondContact OG-OE1 2.98Å; S180-E184 PolarHBondContact O-N 2.9Å; C181-E184 PolarHBondContact O-N 3.02Å; V182-E184 PolarHBondContact O-N 3.45Å; E184-L186 VanDerWaalsContact C-N 3.32Å; E184-L186 PolarHBondContact O-N 2.98Å; E184-E187 PolarHBondContact O-N 3.11Å; E184-R188 HydrophobicContact CG-CG 4.39Å; E184-R188 WeakPolarHBondContact O-CB 3.44Å; E184-R188 WeakPolarHBondContact O-CG 3.44Å; E184-R188 PolarHBondContact O-N 3.07Å; E184-R188 IonicContact OE1-CZ 2.76Å; E184-R188 IonicContact OE1-NE 2.7Å; E184-R188 PolarHBondContact OE1-NE 3.41Å; E184-R188 IonicContact OE1-NH2 2.78Å; E184-R188 PolarHBondContact OE1-NH2 3.16Å; E184-R188 VanDerWaalsContact OE1-NH2 3.08Å
185L94.7Very high88.6Confident0 Ų049.5 Ų49.50%026%0.256CS..Hα-helixtrans-58.3-45.3177.4-72.6170.6000111.5L126 A130 I142 V148 P159 A163 C181 V182 S183 R188 G189 A190L126-L185 HydrophobicContact CD1-CD2 4.18Å; A130-L185 HydrophobicContact CB-CD1 4.17Å; I142-L185 HydrophobicContact CD1-CD2 3.87Å; V148-L185 HydrophobicContact CG1-CD2 4.05Å; P159-L185 HydrophobicContact CB-CD2 4.31Å; A163-L185 HydrophobicContact CB-CD1 3.92Å; C181-L185 WeakPolarHBondContact O-CG 3.32Å; C181-L185 PolarHBondContact O-N 3.22Å; C181-L185 VanDerWaalsContact O-N 3.12Å; V182-L185 PolarHBondContact O-N 3.09Å; S183-L185 VanDerWaalsContact C-N 3.35Å; S183-L185 PolarHBondContact O-N 2.97Å; L185-R188 CarbonylContact O-C 3.58Å; L185-R188 PolarHBondContact O-N 3.39Å; L185-G189 PolarHBondContact O-N 3.48Å; L185-A190 VanDerWaalsContact C-CB 3.48Å; L185-A190 HydrophobicContact CB-CB 4.03Å; L185-A190 WeakPolarHBondContact O-CB 3.03Å; L185-A190 PolarHBondContact O-N 2.91Å
186L94Very high89.9Confident5 Ų545.9 Ų45.93%0.02624%0.237CC..Hα-helixtrans-67.1-42.7-179.5-68.8167000112.4L160 V182 S183 E184 R188 G189 A190 L217 L218 Y221L160-L186 HydrophobicContact CD1-CD2 4.16Å; L160-L186 HydrophobicContact CD1-CG 4.25Å; L160-L186 HydrophobicContact CD2-CD2 3.73Å; V182-L186 HydrophobicContact CG1-CD1 3.85Å; V182-L186 HydrophobicContact CG1-CG 4.41Å; V182-L186 WeakPolarHBondContact O-CG 3.08Å; V182-L186 PolarHBondContact O-N 3Å; S183-L186 PolarHBondContact O-N 3.3Å; S183-L186 VanDerWaalsContact O-N 3.16Å; E184-L186 VanDerWaalsContact C-N 3.32Å; E184-L186 PolarHBondContact O-N 2.98Å; L186-R188 PolarHBondContact O-N 3.06Å; L186-G189 PolarHBondContact O-N 3.31Å; L186-A190 HydrophobicContact CD2-CB 4.37Å; L186-L217 HydrophobicContact CD1-CD2 4.33Å; L186-L217 HydrophobicContact CD1-CG 3.96Å; L186-L218 HydrophobicContact CD1-CD2 3.79Å; L186-L218 HydrophobicContact CD2-CD2 3.8Å; L186-L218 HydrophobicContact CG-CD2 4.36Å; L186-Y221 HydrophobicContact CB-CD1 3.68Å; L186-Y221 HydrophobicContact CB-CD2 3.83Å; L186-Y221 HydrophobicContact CB-CE1 3.66Å; L186-Y221 HydrophobicContact CB-CE2 3.8Å; L186-Y221 HydrophobicContact CB-CG 3.76Å; L186-Y221 HydrophobicContact CD1-CD2 3.67Å; L186-Y221 HydrophobicContact CD1-CE2 3.91Å; L186-Y221 HydrophobicContact CD1-CG 4.21Å; L186-Y221 HydrophobicContact CD2-CD2 4.34Å; L186-Y221 HydrophobicContact CD2-CG 4.04Å; L186-Y221 HydrophobicContact CG-CD2 4.16Å; L186-Y221 HydrophobicContact CG-CE2 4.44Å; L186-Y221 HydrophobicContact CG-CG 4.23Å
187E92.8Very high90.9Very high121 Ų12146 Ų4657%0.56523%0.233SC*.Hα-helixtrans-61.3-35175.3-73.7-179.4-17600112S183 E184 G189 Y221S183-E187 WeakPolarHBondContact O-CB 3.4Å; S183-E187 WeakPolarHBondContact O-CG 3.28Å; S183-E187 PolarHBondContact O-N 3.48Å; E184-E187 PolarHBondContact O-N 3.11Å; E187-G189 PolarHBondContact O-N 3.06Å; E187-Y221 HydrophobicContact CG-CE1 4.45Å; E187-Y221 WeakPolarHBondContact CG-OH 3.46Å
188R94.3Very high91.6Very high129 Ų12942.3 Ų42.349%0.48723%0.227SC..THydrogen-bonded Turntrans-82.88.3176.3-60.9-69.3-177.7-174.2-3.5114.3I142 V148 E184 L185 L186I142-R188 HydrophobicContact CD1-CB 4.16Å; I142-R188 HydrophobicContact CD1-CG 4.08Å; I142-R188 HydrophobicContact CG2-CB 3.73Å; I142-R188 HydrophobicContact CG2-CG 3.76Å; V148-R188 HydrophobicContact CG2-CB 4.26Å; E184-R188 HydrophobicContact CG-CG 4.39Å; E184-R188 WeakPolarHBondContact O-CB 3.44Å; E184-R188 WeakPolarHBondContact O-CG 3.44Å; E184-R188 PolarHBondContact O-N 3.07Å; E184-R188 IonicContact OE1-CZ 2.76Å; E184-R188 IonicContact OE1-NE 2.7Å; E184-R188 PolarHBondContact OE1-NE 3.41Å; E184-R188 IonicContact OE1-NH2 2.78Å; E184-R188 PolarHBondContact OE1-NH2 3.16Å; E184-R188 VanDerWaalsContact OE1-NH2 3.08Å; L185-R188 CarbonylContact O-C 3.58Å; L185-R188 PolarHBondContact O-N 3.39Å; L186-R188 PolarHBondContact O-N 3.06Å
189G92.3Very high92.1Very high38 Ų3842.4 Ų42.439%0.39223%0.229SC..THydrogen-bonded Turntrans94.621.5171.800000115.4N149 L185 L186 E187 K191N149-G189 PolarHBondContact ND2-O 3.37Å; L185-G189 PolarHBondContact O-N 3.48Å; L186-G189 PolarHBondContact O-N 3.31Å; E187-G189 PolarHBondContact O-N 3.06Å; G189-K191 PolarHBondContact O-N 3.16Å
190A95Very high92.3Very high6 Ų643.7 Ų43.75%0.0524%0.235CC..  trans-60.2131.3167.400000110.6V148 L160 L185 L186 P192V148-A190 HydrophobicContact CG1-CB 3.58Å; L160-A190 HydrophobicContact CB-CB 4.26Å; L160-A190 HydrophobicContact CD2-CB 3.98Å; L185-A190 VanDerWaalsContact C-CB 3.48Å; L185-A190 HydrophobicContact CB-CB 4.03Å; L185-A190 WeakPolarHBondContact O-CB 3.03Å; L185-A190 PolarHBondContact O-N 2.91Å; L186-A190 HydrophobicContact CD2-CB 4.37Å; A190-P192 WeakPolarHBondContact O-CD 3.42Å
191K92.9Very high92.5Very high126 Ų12641.8 Ų41.855%0.54822%0.222SC..  trans-94.6116.7-179-65.7176.1-176.9172.70110.2N149 G189 N193 I194N149-K191 PolarHBondContact OD1-N 3.03Å; G189-K191 PolarHBondContact O-N 3.16Å; K191-N193 PolarHBondContact O-N 3.24Å; K191-I194 HydrophobicContact CB-CD1 3.73Å; K191-I194 HydrophobicContact CB-CG1 3.79Å; K191-I194 HydrophobicContact CD-CD1 4.21Å; K191-I194 HydrophobicContact CD-CG1 4.46Å; K191-I194 HydrophobicContact CG-CD1 4.45Å
192P92Very high92.5Very high6 Ų641.8 Ų41.84%0.03922%0.222CC..THydrogen-bonded Turntrans-75.8-1.7-176.932.2-38.1000114.8L160 A190 S201 P202 L218 Y221 A223L160-P192 HydrophobicContact CD2-CB 4.16Å; A190-P192 WeakPolarHBondContact O-CD 3.42Å; P192-S201 WeakPolarHBondContact O-CB 3.27Å; P192-S201 PolarHBondContact O-OG 3.43Å; P192-P202 WeakPolarHBondContact O-CD 3.37Å; P192-L218 HydrophobicContact CB-CD2 3.98Å; P192-Y221 WeakPolarHBondContact CG-O 3.49Å; P192-A223 HydrophobicContact CB-CB 3.95Å; P192-A223 HydrophobicContact CG-CB 3.96Å
193N91.9Very high92.5Very high44 Ų4441.8 Ų41.824%0.23522%0.222CC..THydrogen-bonded Turntrans-111.90.4-174-58.5-27.6000113.4K191 V195 R222 A223 S224 K227K191-N193 PolarHBondContact O-N 3.24Å; N193-V195 PolarHBondContact O-N 2.92Å; N193-R222 PolarHBondContact ND2-O 2.91Å; N193-A223 WeakPolarHBondContact OD1-CA 3.48Å; N193-S224 VanDerWaalsContact CG-OG 3.27Å; N193-S224 PolarHBondContact OD1-N 3.49Å; N193-S224 PolarHBondContact OD1-OG 3.49Å; N193-K227 HydrophobicContact CB-CD 4.46Å; N193-K227 PolarHBondContact O-NZ 3.36Å
194I92.3Very high92.4Very high33 Ų3340.4 Ų40.417%0.16921%0.212CC..  trans-64.9130.8173.4-68.4175.4000107.8N149 T158 H161 K191 S201 P202N149-I194 HydrophobicContact CB-CD1 3.78Å; N149-I194 WeakPolarHBondContact OD1-CD1 3.14Å; T158-I194 HydrophobicContact CG2-CB 4.19Å; T158-I194 HydrophobicContact CG2-CD1 4.06Å; T158-I194 HydrophobicContact CG2-CG2 3.61Å; H161-I194 PolarHBondContact CE1-O 3.12Å; H161-I194 PolarHBondContact NE2-O 3.33Å; K191-I194 HydrophobicContact CB-CD1 3.73Å; K191-I194 HydrophobicContact CB-CG1 3.79Å; K191-I194 HydrophobicContact CD-CD1 4.21Å; K191-I194 HydrophobicContact CD-CG1 4.46Å; K191-I194 HydrophobicContact CG-CD1 4.45Å; I194-S201 VanDerWaalsContact O-CA 3.23Å; I194-S201 WeakPolarHBondContact O-CA 3.42Å; I194-S201 WeakPolarHBondContact O-CB 3.49Å; I194-P202 WeakPolarHBondContact O-CD 3.35Å
195V92.6Very high92.3Very high47 Ų4740.7 Ų40.729%0.28521%0.214SC..  trans-97.1139.6-179.8-65.10000110.4R151 N193 M200R151-V195 PolarHBondContact NH1-O 2.95Å; R151-V195 PolarHBondContact NH2-O 3.46Å; N193-V195 PolarHBondContact O-N 2.92Å; V195-M200 CarbonylContact C-O 3.47Å; V195-M200 VanDerWaalsContact CA-O 3.31Å; V195-M200 WeakPolarHBondContact CA-O 3.48Å
196N93.2Very high92Very high11 Ų1140.7 Ų40.76%0.05921%0.214CC..  trans-79.8-173.2173.769.25000111.9S155 N157 A198 G199 M200S155-N196 WeakPolarHBondContact O-CB 3.33Å; N157-N196 WeakPolarHBondContact OD1-CB 3.44Å; N157-N196 PolarHBondContact OD1-ND2 3.28Å; N196-A198 VanDerWaalsContact C-N 3.27Å; N196-A198 PolarHBondContact O-N 3.01Å; N196-A198 WeakPolarHBondContact OD1-CA 3.31Å; N196-A198 WeakPolarHBondContact OD1-CB 3.32Å; N196-A198 PolarHBondContact OD1-N 3.11Å; N196-A198 VanDerWaalsContact OD1-N 3.15Å; N196-G199 WeakPolarHBondContact O-CA 3.35Å; N196-G199 PolarHBondContact O-N 3.31Å; N196-G199 PolarHBondContact OD1-N 3.37Å; N196-M200 VanDerWaalsContact CG-O 3.32Å; N196-M200 PolarHBondContact N-O 3.24Å; N196-M200 PolarHBondContact OD1-N 3.46Å; N196-M200 PolarHBondContact OD1-O 3.35Å
197E91.4Very high91.8Very high146 Ų14640.5 Ų40.568%0.68221%0.212SC*.THydrogen-bonded Turntrans-61.6-35.4179-171.6-174.4-162.800112.2S155 A156 G199S155-E197 WeakPolarHBondContact O-CB 3.49Å; S155-E197 PolarHBondContact O-N 2.62Å; A156-E197 HydrophobicContact CB-CB 4.31Å; E197-G199 PolarHBondContact O-N 2.65Å; E197-G199 VanDerWaalsContact O-N 3.11Å
198A88.1Confident91.6Very high65 Ų6535.4 Ų35.454%0.53719%0.19SC..THydrogen-bonded Turntrans-71.82.2172.700000113.6N196 M200N196-A198 VanDerWaalsContact C-N 3.27Å; N196-A198 PolarHBondContact O-N 3.01Å; N196-A198 WeakPolarHBondContact OD1-CA 3.31Å; N196-A198 WeakPolarHBondContact OD1-CB 3.32Å; N196-A198 PolarHBondContact OD1-N 3.11Å; N196-A198 VanDerWaalsContact OD1-N 3.15Å; A198-M200 VanDerWaalsContact C-N 3.25Å; A198-M200 HydrophobicContact CB-CE 3.84Å; A198-M200 PolarHBondContact O-N 3.22Å
199G90.3Very high91.2Very high6 Ų632.3 Ų32.36%0.06218%0.183CC..SBendtrans72.414.8-179.700000114.6N196 E197 S229 A230N196-G199 WeakPolarHBondContact O-CA 3.35Å; N196-G199 PolarHBondContact O-N 3.31Å; N196-G199 PolarHBondContact OD1-N 3.37Å; E197-G199 PolarHBondContact O-N 2.65Å; E197-G199 VanDerWaalsContact O-N 3.11Å; G199-S229 VanDerWaalsContact O-CA 3.27Å; G199-S229 WeakPolarHBondContact O-CA 3.44Å; G199-A230 PolarHBondContact O-N 3.46Å
200M90.8Very high90.9Very high50 Ų5031 Ų3125%0.24617%0.169CC..  trans-97.9137.3178.1-64.3-172.2-74.400109.9H161 V195 N196 A198 H204 Q205H161-M200 PolarHBondContact NE2-O 3.14Å; H161-M200 VanDerWaalsContact NE2-O 3.14Å; V195-M200 CarbonylContact C-O 3.47Å; V195-M200 VanDerWaalsContact CA-O 3.31Å; V195-M200 WeakPolarHBondContact CA-O 3.48Å; N196-M200 VanDerWaalsContact CG-O 3.32Å; N196-M200 PolarHBondContact N-O 3.24Å; N196-M200 PolarHBondContact OD1-N 3.46Å; N196-M200 PolarHBondContact OD1-O 3.35Å; A198-M200 VanDerWaalsContact C-N 3.25Å; A198-M200 HydrophobicContact CB-CE 3.84Å; A198-M200 PolarHBondContact O-N 3.22Å; M200-H204 HydrophobicContact CB-CB 4.14Å; M200-Q205 HydrophobicContact CB-CG 4.35Å
201S93.8Very high90.4Very high0 Ų031.4 Ų31.40%017%0.171CC..  trans-86.3167.9166.979.40000111.7P192 I194 F203 H204 Q205P192-S201 WeakPolarHBondContact O-CB 3.27Å; P192-S201 PolarHBondContact O-OG 3.43Å; I194-S201 VanDerWaalsContact O-CA 3.23Å; I194-S201 WeakPolarHBondContact O-CA 3.42Å; I194-S201 WeakPolarHBondContact O-CB 3.49Å; S201-F203 PolarHBondContact O-N 3.39Å; S201-F203 PolarHBondContact OG-N 3.27Å; S201-H204 WeakPolarHBondContact CB-ND1 3.43Å; S201-H204 PolarHBondContact N-ND1 3.05Å; S201-H204 WeakPolarHBondContact O-CB 3.41Å; S201-H204 PolarHBondContact O-N 3.17Å; S201-H204 PolarHBondContact OG-N 3.29Å; S201-H204 PolarHBondContact OG-ND1 3.45Å; S201-Q205 PolarHBondContact O-N 3.28Å
202P92.2Very high90.1Very high0 Ų028.1 Ų28.10%016%0.157CC..Hα-helixtrans-52.7-44.5171.5-25.233.1000110.6L160 H161 P192 I194 H204 Q205 T206L160-P202 HydrophobicContact CB-CG 4.2Å; L160-P202 HydrophobicContact CD2-CB 4.09Å; L160-P202 HydrophobicContact CD2-CG 3.99Å; L160-P202 HydrophobicContact CG-CB 3.9Å; L160-P202 HydrophobicContact CG-CG 3.98Å; H161-P202 WeakPolarHBondContact CE1-CD 3.41Å; H161-P202 VanDerWaalsContact NE2-CD 3.31Å; H161-P202 WeakPolarHBondContact NE2-CD 3.48Å; P192-P202 WeakPolarHBondContact O-CD 3.37Å; I194-P202 WeakPolarHBondContact O-CD 3.35Å; P202-H204 PolarHBondContact O-N 3.22Å; P202-Q205 WeakPolarHBondContact O-CB 3.5Å; P202-Q205 PolarHBondContact O-N 3.42Å; P202-Q205 VanDerWaalsContact O-N 3.08Å; P202-T206 VanDerWaalsContact O-CG2 3.31Å; P202-T206 WeakPolarHBondContact O-CG2 3.44Å; P202-T206 PolarHBondContact O-N 3.01Å
203F92.3Very high89.8Confident0 Ų033.5 Ų33.50%018%0.182CC..Hα-helixtrans-58.3-43.9177-167.5-103.9000113S201 Q205 T206 C207 V215 L218 L219 A223 V225 C235S201-F203 PolarHBondContact O-N 3.39Å; S201-F203 PolarHBondContact OG-N 3.27Å; F203-Q205 VanDerWaalsContact C-N 3.32Å; F203-Q205 PolarHBondContact O-N 3.09Å; F203-T206 WeakPolarHBondContact CA-OG1 3.39Å; F203-T206 PolarHBondContact O-N 2.95Å; F203-T206 VanDerWaalsContact O-N 3.13Å; F203-T206 PolarHBondContact O-OG1 3.38Å; F203-C207 VanDerWaalsContact CE1-SG 3.52Å; F203-C207 PolarHBondContact O-N 3.38Å; F203-C207 PolarHBondContact O-SG 3.13Å; F203-C207 VanDerWaalsContact O-SG 3.42Å; F203-V215 HydrophobicContact CE2-CB 4.46Å; F203-V215 HydrophobicContact CE2-CG1 4.03Å; F203-V215 HydrophobicContact CE2-CG2 4.33Å; F203-V215 HydrophobicContact CZ-CG1 4.14Å; F203-L218 HydrophobicContact CD2-CB 3.84Å; F203-L218 HydrophobicContact CD2-CD1 3.99Å; F203-L218 HydrophobicContact CE2-CB 4.27Å; F203-L219 HydrophobicContact CE2-CD2 4.02Å; F203-L219 HydrophobicContact CE2-CG 4.14Å; F203-L219 HydrophobicContact CZ-CD2 3.88Å; F203-L219 HydrophobicContact CZ-CG 4.39Å; F203-A223 HydrophobicContact CB-CB 4.12Å; F203-A223 HydrophobicContact CD2-CB 3.4Å; F203-A223 VanDerWaalsContact CD2-CB 3.4Å; F203-A223 HydrophobicContact CE2-CB 3.89Å; F203-A223 HydrophobicContact CG-CB 3.77Å; F203-V225 HydrophobicContact CE1-CB 4.34Å; F203-V225 HydrophobicContact CE1-CG2 4.05Å; F203-V225 HydrophobicContact CZ-CG2 4.02Å; F203-C235 VanDerWaalsContact CD1-SG 3.58Å; F203-C235 HydrophobicContact CE1-CB 4.38Å
204H91.6Very high89.7Confident0 Ų031.4 Ų31.40%017%0.171CC..Hα-helixtrans-57.9-43.3174.2-70.894.7000112.1M200 S201 P202 T206 C207 S208 K227 S229 L238M200-H204 HydrophobicContact CB-CB 4.14Å; S201-H204 WeakPolarHBondContact CB-ND1 3.43Å; S201-H204 PolarHBondContact N-ND1 3.05Å; S201-H204 WeakPolarHBondContact O-CB 3.41Å; S201-H204 PolarHBondContact O-N 3.17Å; S201-H204 PolarHBondContact OG-N 3.29Å; S201-H204 PolarHBondContact OG-ND1 3.45Å; P202-H204 PolarHBondContact O-N 3.22Å; H204-T206 VanDerWaalsContact C-N 3.32Å; H204-T206 PolarHBondContact O-N 3.44Å; H204-C207 PolarHBondContact O-N 3.2Å; H204-S208 WeakPolarHBondContact O-CB 3.46Å; H204-S208 PolarHBondContact O-N 2.86Å; H204-K227 PolarHBondContact CE1-O 2.92Å; H204-K227 PolarHBondContact NE2-O 2.6Å; H204-S229 PolarHBondContact NE2-N 3.29Å; H204-L238 HydrophobicContact CB-CD1 3.59Å
205Q89.9Confident89.6Confident22 Ų2229.9 Ų29.910%0.10316%0.163CC..Hα-helixtrans-62.2-41.4176.4-67.3178-42.700111.1H161 M200 S201 P202 F203 C207 S208 L209H161-Q205 PolarHBondContact CD2-OE1 3.25Å; H161-Q205 PolarHBondContact O-OE1 3.44Å; M200-Q205 HydrophobicContact CB-CG 4.35Å; S201-Q205 PolarHBondContact O-N 3.28Å; P202-Q205 WeakPolarHBondContact O-CB 3.5Å; P202-Q205 PolarHBondContact O-N 3.42Å; P202-Q205 VanDerWaalsContact O-N 3.08Å; F203-Q205 VanDerWaalsContact C-N 3.32Å; F203-Q205 PolarHBondContact O-N 3.09Å; Q205-C207 PolarHBondContact O-N 3.06Å; Q205-S208 PolarHBondContact O-N 3.35Å; Q205-L209 WeakPolarHBondContact O-CB 3.16Å; Q205-L209 WeakPolarHBondContact O-CG 3.22Å; Q205-L209 PolarHBondContact O-N 3.14Å
206T89.3Confident89.4Confident0 Ų030.2 Ų30.20%016%0.163CC..Hα-helixtrans-64.3-40.3178.164.60000113.3A164 P202 F203 H204 L209 G210 N211 L214 L218A164-T206 HydrophobicContact CB-CG2 3.84Å; P202-T206 VanDerWaalsContact O-CG2 3.31Å; P202-T206 WeakPolarHBondContact O-CG2 3.44Å; P202-T206 PolarHBondContact O-N 3.01Å; F203-T206 WeakPolarHBondContact CA-OG1 3.39Å; F203-T206 PolarHBondContact O-N 2.95Å; F203-T206 VanDerWaalsContact O-N 3.13Å; F203-T206 PolarHBondContact O-OG1 3.38Å; H204-T206 VanDerWaalsContact C-N 3.32Å; H204-T206 PolarHBondContact O-N 3.44Å; T206-L209 PolarHBondContact O-N 3.47Å; T206-G210 PolarHBondContact O-N 3.03Å; T206-G210 VanDerWaalsContact O-N 3.08Å; T206-N211 PolarHBondContact O-N 3.3Å; T206-L214 HydrophobicContact CG2-CB 4.38Å; T206-L214 HydrophobicContact CG2-CD2 3.23Å; T206-L214 HydrophobicContact CG2-CG 3.62Å; T206-L218 HydrophobicContact CG2-CD1 3.49Å; T206-L218 VanDerWaalsContact CG2-CD1 3.49Å
207C89.6Confident89.2Confident0 Ų031.3 Ų31.30%017%0.169CC..Hα-helixtrans-68.1-43174.7-64.10000111.6F203 H204 Q205 L209 G210 C235 F239 L255F203-C207 VanDerWaalsContact CE1-SG 3.52Å; F203-C207 PolarHBondContact O-N 3.38Å; F203-C207 PolarHBondContact O-SG 3.13Å; F203-C207 VanDerWaalsContact O-SG 3.42Å; H204-C207 PolarHBondContact O-N 3.2Å; Q205-C207 PolarHBondContact O-N 3.06Å; C207-L209 PolarHBondContact O-N 3.04Å; C207-G210 PolarHBondContact O-N 2.85Å; C207-G210 VanDerWaalsContact O-N 3.14Å; C207-C235 HydrophobicContact CB-CB 4.04Å; C207-F239 WeakPolarHBondContact O-CA 3.44Å; C207-F239 WeakPolarHBondContact O-CD2 3.45Å; C207-L255 HydrophobicContact CB-CD1 4.48Å
208S88.8Confident89.1Confident14 Ų1424.3 Ų24.310%0.09814%0.136CC..Hα-helixtrans-58.7-36.3176.8-160.50000112H204 Q205 H242 N245H204-S208 WeakPolarHBondContact O-CB 3.46Å; H204-S208 PolarHBondContact O-N 2.86Å; Q205-S208 PolarHBondContact O-N 3.35Å; S208-H242 PolarHBondContact O-CD2 3.35Å; S208-H242 PolarHBondContact OG-CD2 3.27Å; S208-H242 PolarHBondContact OG-NE2 3.17Å; S208-H242 VanDerWaalsContact OG-NE2 3.12Å; S208-N245 PolarHBondContact O-ND2 3.36Å
209L85.3Confident89.1Confident64 Ų6421.3 Ų21.334%0.33511%0.111SC..THydrogen-bonded Turntrans-88.9-7.1-179.2-62170.4000113.6M168 Q205 T206 C207M168-L209 HydrophobicContact CB-CD1 3.9Å; M168-L209 HydrophobicContact CE-CB 3.97Å; M168-L209 VanDerWaalsContact CE-O 3.3Å; M168-L209 WeakPolarHBondContact CE-O 3.34Å; M168-L209 HydrophobicContact CG-CB 3.95Å; M168-L209 HydrophobicContact CG-CD1 3.69Å; M168-L209 HydrophobicContact CG-CG 4.41Å; Q205-L209 WeakPolarHBondContact O-CB 3.16Å; Q205-L209 WeakPolarHBondContact O-CG 3.22Å; Q205-L209 PolarHBondContact O-N 3.14Å; T206-L209 PolarHBondContact O-N 3.47Å; C207-L209 PolarHBondContact O-N 3.04Å
210G85.3Confident89Confident10 Ų1022.3 Ų22.310%0.10312%0.116CC..THydrogen-bonded Turntrans75.123.2171.800000116.5T206 C207 E212 N245 N248 L251T206-G210 PolarHBondContact O-N 3.03Å; T206-G210 VanDerWaalsContact O-N 3.08Å; C207-G210 PolarHBondContact O-N 2.85Å; C207-G210 VanDerWaalsContact O-N 3.14Å; G210-E212 PolarHBondContact O-N 3.19Å; G210-N245 WeakPolarHBondContact CA-OD1 3.47Å; G210-N248 PolarHBondContact O-ND2 3.35Å; G210-L251 VanDerWaalsContact C-CD2 3.49Å
211N85.4Confident88.9Confident16 Ų1621.9 Ų21.99%0.08611%0.112CC..  trans-88.7105-179.6-169.4-34.7000112.6M168 T206 Q213 L214 V215M168-N211 HydrophobicContact CE-CB 3.86Å; M168-N211 HydrophobicContact SD-CB 3.44Å; M168-N211 WeakPolarHBondContact SD-CB 3.33Å; M168-N211 PolarHBondContact SD-ND2 3.09Å; T206-N211 PolarHBondContact O-N 3.3Å; N211-Q213 WeakPolarHBondContact OD1-CB 3.35Å; N211-Q213 PolarHBondContact OD1-N 3.31Å; N211-L214 HydrophobicContact CB-CB 4.04Å; N211-L214 PolarHBondContact OD1-N 3.33Å; N211-V215 VanDerWaalsContact O-CG2 3.31Å; N211-V215 WeakPolarHBondContact O-CG2 3.41Å; N211-V215 PolarHBondContact O-N 3.17Å; N211-V215 VanDerWaalsContact O-N 3.13Å
212E85.9Confident88.4Confident56 Ų5632.1 Ų32.126%0.26215%0.151SC..Hα-helixtrans-63.6-42.9179-174.7174.4-170.400113.1G210 L214 V215 D216 S250 L251 K254G210-E212 PolarHBondContact O-N 3.19Å; E212-L214 VanDerWaalsContact C-N 3.31Å; E212-L214 PolarHBondContact O-N 3.4Å; E212-V215 PolarHBondContact O-N 3.08Å; E212-D216 PolarHBondContact O-N 3.15Å; E212-S250 WeakPolarHBondContact OE2-CB 3.34Å; E212-S250 PolarHBondContact OE2-OG 3.05Å; E212-L251 HydrophobicContact CB-CB 4.32Å; E212-K254 IonicContact OE1-NZ 2.82Å; E212-K254 PolarHBondContact OE1-NZ 3.12Å
213Q87Confident88.2Confident119 Ų11932.4 Ų32.456%0.55615%0.153SC*.Hα-helixtrans-61.8-41.3-177.8-64.1179-11.100111.5M179 N211 D216 L217M179-Q213 HydrophobicContact CE-CB 3.92Å; N211-Q213 WeakPolarHBondContact OD1-CB 3.35Å; N211-Q213 PolarHBondContact OD1-N 3.31Å; Q213-D216 PolarHBondContact O-N 3.02Å; Q213-L217 WeakPolarHBondContact O-CB 3.44Å; Q213-L217 PolarHBondContact O-N 3.34Å
214L88.8Confident87.9Confident0 Ų034 Ų340%016%0.164CC..Hα-helixtrans-72.9-34.5179.7-166.660.1000111.9A164 M179 V182 T206 N211 E212 L217 L218A164-L214 HydrophobicContact CB-CD2 3.97Å; M179-L214 HydrophobicContact CE-CB 4.21Å; M179-L214 HydrophobicContact SD-CD1 3.94Å; V182-L214 HydrophobicContact CB-CD1 4.31Å; V182-L214 HydrophobicContact CG1-CD1 3.81Å; V182-L214 HydrophobicContact CG2-CD1 4.09Å; T206-L214 HydrophobicContact CG2-CB 4.38Å; T206-L214 HydrophobicContact CG2-CD2 3.23Å; T206-L214 HydrophobicContact CG2-CG 3.62Å; N211-L214 HydrophobicContact CB-CB 4.04Å; N211-L214 PolarHBondContact OD1-N 3.33Å; E212-L214 VanDerWaalsContact C-N 3.31Å; E212-L214 PolarHBondContact O-N 3.4Å; L214-L217 HydrophobicContact CD1-CD2 4.25Å; L214-L217 PolarHBondContact O-N 2.82Å; L214-L218 HydrophobicContact CG-CD1 4.29Å; L214-L218 WeakPolarHBondContact O-CB 3.18Å; L214-L218 VanDerWaalsContact O-CG 3.27Å; L214-L218 WeakPolarHBondContact O-CG 3.43Å; L214-L218 PolarHBondContact O-N 3.15Å
215V89.8Confident87.6Confident1 Ų134.2 Ų34.21%0.00617%0.165CC..Hα-helixtrans-62-46.6170.9166.50000110.4F203 N211 E212 L217 L218 L219 L251F203-V215 HydrophobicContact CE2-CB 4.46Å; F203-V215 HydrophobicContact CE2-CG1 4.03Å; F203-V215 HydrophobicContact CE2-CG2 4.33Å; F203-V215 HydrophobicContact CZ-CG1 4.14Å; N211-V215 VanDerWaalsContact O-CG2 3.31Å; N211-V215 WeakPolarHBondContact O-CG2 3.41Å; N211-V215 PolarHBondContact O-N 3.17Å; N211-V215 VanDerWaalsContact O-N 3.13Å; E212-V215 PolarHBondContact O-N 3.08Å; V215-L217 PolarHBondContact O-N 3.08Å; V215-L218 PolarHBondContact O-N 2.74Å; V215-L218 VanDerWaalsContact O-N 3.16Å; V215-L219 HydrophobicContact CG1-CD1 3.78Å; V215-L219 HydrophobicContact CG1-CG 4.18Å; V215-L219 VanDerWaalsContact O-CG 3.23Å; V215-L219 WeakPolarHBondContact O-CG 3.32Å; V215-L219 PolarHBondContact O-N 3.2Å; V215-L251 HydrophobicContact CB-CD1 4.03Å; V215-L251 HydrophobicContact CG1-CD1 3.84Å; V215-L251 HydrophobicContact CG2-CD1 3.94Å; V215-L251 HydrophobicContact CG2-CD2 4.45Å
216D88.1Confident87.4Confident55 Ų5536.3 Ų36.329%0.29418%0.178SC..Hα-helixtrans-63.8-30.2177.2-75.9-24000113E212 Q213 P220 K254E212-D216 PolarHBondContact O-N 3.15Å; Q213-D216 PolarHBondContact O-N 3.02Å; D216-P220 WeakPolarHBondContact O-CD 3.49Å; D216-P220 WeakPolarHBondContact O-CG 3.3Å; D216-K254 WeakPolarHBondContact OD1-CD 3.1Å; D216-K254 WeakPolarHBondContact OD1-CE 3.19Å; D216-K254 IonicContact OD1-NZ 2.63Å; D216-K254 PolarHBondContact OD1-NZ 2.77Å; D216-K254 IonicContact OD2-NZ 2.82Å; D216-K254 PolarHBondContact OD2-NZ 2.63Å
217L88.9Confident87.2Confident33 Ų3340.1 Ų40.117%0.17319%0.194CC..Hα-helixtrans-73.9-37.3173.5-178.361.9000112.6M179 V182 S183 L186 Q213 L214 V215 P220 Y221M179-L217 HydrophobicContact SD-CD2 4.39Å; V182-L217 HydrophobicContact CB-CD2 3.82Å; V182-L217 HydrophobicContact CG1-CD2 3.65Å; S183-L217 WeakPolarHBondContact OG-CD1 3.47Å; L186-L217 HydrophobicContact CD1-CD2 4.33Å; L186-L217 HydrophobicContact CD1-CG 3.96Å; Q213-L217 WeakPolarHBondContact O-CB 3.44Å; Q213-L217 PolarHBondContact O-N 3.34Å; L214-L217 HydrophobicContact CD1-CD2 4.25Å; L214-L217 PolarHBondContact O-N 2.82Å; V215-L217 PolarHBondContact O-N 3.08Å; L217-P220 WeakPolarHBondContact O-CD 3.41Å; L217-Y221 HydrophobicContact CD1-CE2 4.46Å; L217-Y221 VanDerWaalsContact O-CD2 3.24Å; L217-Y221 WeakPolarHBondContact O-CD2 3.47Å
218L90.1Very high87.1Confident0 Ų044 Ų440%021%0.214CC..Hα-helixtrans-80.9-34.4-175.8-73172000113.8L160 L186 P192 F203 T206 L214 V215 Y221 A223L160-L218 HydrophobicContact CD1-CD2 4.4Å; L160-L218 HydrophobicContact CD2-CD2 4.24Å; L186-L218 HydrophobicContact CD1-CD2 3.79Å; L186-L218 HydrophobicContact CD2-CD2 3.8Å; L186-L218 HydrophobicContact CG-CD2 4.36Å; P192-L218 HydrophobicContact CB-CD2 3.98Å; F203-L218 HydrophobicContact CD2-CB 3.84Å; F203-L218 HydrophobicContact CD2-CD1 3.99Å; F203-L218 HydrophobicContact CE2-CB 4.27Å; T206-L218 HydrophobicContact CG2-CD1 3.49Å; T206-L218 VanDerWaalsContact CG2-CD1 3.49Å; L214-L218 HydrophobicContact CG-CD1 4.29Å; L214-L218 WeakPolarHBondContact O-CB 3.18Å; L214-L218 VanDerWaalsContact O-CG 3.27Å; L214-L218 WeakPolarHBondContact O-CG 3.43Å; L214-L218 PolarHBondContact O-N 3.15Å; V215-L218 PolarHBondContact O-N 2.74Å; V215-L218 VanDerWaalsContact O-N 3.16Å; L218-Y221 PolarHBondContact O-N 3.29Å; L218-A223 HydrophobicContact CB-CB 3.99Å; L218-A223 VanDerWaalsContact O-CB 3.29Å; L218-A223 WeakPolarHBondContact O-CB 3.35Å; L218-A223 PolarHBondContact O-N 3.27Å
219L89.3Confident87Confident1 Ų143.8 Ų43.81%0.00521%0.213CC..G310 helixtrans-53-44.7179.1-73.2168.6000113.2F203 V215 Y221 R222 V225 K254 L258 Y306 L307 I310F203-L219 HydrophobicContact CE2-CD2 4.02Å; F203-L219 HydrophobicContact CE2-CG 4.14Å; F203-L219 HydrophobicContact CZ-CD2 3.88Å; F203-L219 HydrophobicContact CZ-CG 4.39Å; V215-L219 HydrophobicContact CG1-CD1 3.78Å; V215-L219 HydrophobicContact CG1-CG 4.18Å; V215-L219 VanDerWaalsContact O-CG 3.23Å; V215-L219 WeakPolarHBondContact O-CG 3.32Å; V215-L219 PolarHBondContact O-N 3.2Å; L219-Y221 PolarHBondContact O-N 2.91Å; L219-Y221 VanDerWaalsContact O-N 3.13Å; L219-R222 PolarHBondContact O-N 3.2Å; L219-V225 HydrophobicContact CD2-CG2 3.55Å; L219-K254 HydrophobicContact CD1-CD 4.41Å; L219-L258 HydrophobicContact CD1-CD1 3.9Å; L219-L258 HydrophobicContact CD2-CD1 4.14Å; L219-Y306 HydrophobicContact CD1-CE1 4.32Å; L219-L307 HydrophobicContact CD2-CD2 3.8Å; L219-I310 HydrophobicContact CB-CD1 3.72Å
220P87.1Confident87Confident27 Ų2744.7 Ų44.718%0.17523%0.23CC..G310 helixtrans-54.9-27.5173.5-2429.5000115.6D216 L217 R222 I310 R311D216-P220 WeakPolarHBondContact O-CD 3.49Å; D216-P220 WeakPolarHBondContact O-CG 3.3Å; L217-P220 WeakPolarHBondContact O-CD 3.41Å; P220-R222 VanDerWaalsContact C-N 3.27Å; P220-R222 PolarHBondContact O-N 3.26Å; P220-I310 HydrophobicContact CB-CG2 4.44Å; P220-I310 HydrophobicContact CG-CD1 3.96Å; P220-I310 HydrophobicContact CG-CG1 4.01Å; P220-R311 HydrophobicContact CB-CB 4.32Å
221Y88Confident86.9Confident41 Ų4145.9 Ų45.916%0.16124%0.239CC..G310 helixtrans-94.726.9-177.5-66.3-89.2000112.7L186 E187 P192 L217 L218 L219 A223L186-Y221 HydrophobicContact CB-CD1 3.68Å; L186-Y221 HydrophobicContact CB-CD2 3.83Å; L186-Y221 HydrophobicContact CB-CE1 3.66Å; L186-Y221 HydrophobicContact CB-CE2 3.8Å; L186-Y221 HydrophobicContact CB-CG 3.76Å; L186-Y221 HydrophobicContact CD1-CD2 3.67Å; L186-Y221 HydrophobicContact CD1-CE2 3.91Å; L186-Y221 HydrophobicContact CD1-CG 4.21Å; L186-Y221 HydrophobicContact CD2-CD2 4.34Å; L186-Y221 HydrophobicContact CD2-CG 4.04Å; L186-Y221 HydrophobicContact CG-CD2 4.16Å; L186-Y221 HydrophobicContact CG-CE2 4.44Å; L186-Y221 HydrophobicContact CG-CG 4.23Å; E187-Y221 HydrophobicContact CG-CE1 4.45Å; E187-Y221 WeakPolarHBondContact CG-OH 3.46Å; P192-Y221 WeakPolarHBondContact CG-O 3.49Å; L217-Y221 HydrophobicContact CD1-CE2 4.46Å; L217-Y221 VanDerWaalsContact O-CD2 3.24Å; L217-Y221 WeakPolarHBondContact O-CD2 3.47Å; L218-Y221 PolarHBondContact O-N 3.29Å; L219-Y221 PolarHBondContact O-N 2.91Å; L219-Y221 VanDerWaalsContact O-N 3.13Å; Y221-A223 VanDerWaalsContact C-N 3.31Å; Y221-A223 PolarHBondContact O-N 3.12Å
222R84.4Confident86.8Confident216 Ų21645.9 Ų45.982%0.81524%0.242SC*.THydrogen-bonded Turntrans61.335.8178.9-55.8-176.5174.6-175.7-0.4113.1N193 L219 P220 S224N193-R222 PolarHBondContact ND2-O 2.91Å; L219-R222 PolarHBondContact O-N 3.2Å; P220-R222 VanDerWaalsContact C-N 3.27Å; P220-R222 PolarHBondContact O-N 3.26Å; R222-S224 PolarHBondContact O-N 3.28Å
223A87.7Confident86.8Confident5 Ų545.3 Ų45.34%0.04124%0.24CC..  trans-61.3127.9168.600000110.5P192 N193 F203 L218 Y221 V225P192-A223 HydrophobicContact CB-CB 3.95Å; P192-A223 HydrophobicContact CG-CB 3.96Å; N193-A223 WeakPolarHBondContact OD1-CA 3.48Å; F203-A223 HydrophobicContact CB-CB 4.12Å; F203-A223 HydrophobicContact CD2-CB 3.4Å; F203-A223 VanDerWaalsContact CD2-CB 3.4Å; F203-A223 HydrophobicContact CE2-CB 3.89Å; F203-A223 HydrophobicContact CG-CB 3.77Å; L218-A223 HydrophobicContact CB-CB 3.99Å; L218-A223 VanDerWaalsContact O-CB 3.29Å; L218-A223 WeakPolarHBondContact O-CB 3.35Å; L218-A223 PolarHBondContact O-N 3.27Å; Y221-A223 VanDerWaalsContact C-N 3.31Å; Y221-A223 PolarHBondContact O-N 3.12Å; A223-V225 PolarHBondContact O-N 3.49Å
224S85.6Confident86.9Confident33 Ų3340 Ų4023%0.23122%0.215CC..  trans-86.8104-173.954.70000111N193 R222 N226 K227N193-S224 VanDerWaalsContact CG-OG 3.27Å; N193-S224 PolarHBondContact OD1-N 3.49Å; N193-S224 PolarHBondContact OD1-OG 3.49Å; R222-S224 PolarHBondContact O-N 3.28Å; S224-N226 VanDerWaalsContact C-N 3.28Å; S224-N226 PolarHBondContact O-N 3.01Å; S224-K227 PolarHBondContact O-N 2.99Å; S224-K227 WeakPolarHBondContact OG-CB 3.33Å
225V85.4Confident86.9Confident5 Ų540 Ų403%0.0322%0.216CC..THydrogen-bonded Turntrans-64.3-34177.4-173.30000112.2F203 L219 A223 C235 L255 L258 L307F203-V225 HydrophobicContact CE1-CB 4.34Å; F203-V225 HydrophobicContact CE1-CG2 4.05Å; F203-V225 HydrophobicContact CZ-CG2 4.02Å; L219-V225 HydrophobicContact CD2-CG2 3.55Å; A223-V225 PolarHBondContact O-N 3.49Å; V225-C235 PolarHBondContact O-SG 2.83Å; V225-L255 HydrophobicContact CG1-CD2 4.33Å; V225-L258 HydrophobicContact CG1-CB 4.1Å; V225-L258 HydrophobicContact CG2-CB 4.25Å; V225-L258 HydrophobicContact CG2-CD1 4.4Å; V225-L307 HydrophobicContact CG2-CD2 4.26Å
226N84.9Confident86.7Confident67 Ų6740.1 Ų40.136%0.35822%0.217SC..THydrogen-bonded Turntrans-941.1-175-58.6-32000113.7S224 S259 T260S224-N226 VanDerWaalsContact C-N 3.28Å; S224-N226 PolarHBondContact O-N 3.01Å; N226-S259 VanDerWaalsContact OD1-CA 3.26Å; N226-S259 WeakPolarHBondContact OD1-CA 3.35Å; N226-T260 PolarHBondContact ND2-O 3.36Å; N226-T260 PolarHBondContact ND2-OG1 2.94Å; N226-T260 PolarHBondContact OD1-N 2.88Å; N226-T260 PolarHBondContact OD1-O 3.22Å
227K86Confident86.8Confident79 Ų7937.9 Ų37.934%0.34320%0.204SC..PPolyproline II helixtrans-70.8136.1173.5-174.4169.3-175.6172.50107.7N193 H204 S224N193-K227 HydrophobicContact CB-CD 4.46Å; N193-K227 PolarHBondContact O-NZ 3.36Å; H204-K227 PolarHBondContact CE1-O 2.92Å; H204-K227 PolarHBondContact NE2-O 2.6Å; S224-K227 PolarHBondContact O-N 2.99Å; S224-K227 WeakPolarHBondContact OG-CB 3.33Å
228L87.1Confident86.7Confident82 Ų8236.7 Ų36.743%0.42920%0.198SC..PPolyproline II helixtrans-91.9152.7176.9-57.3178.1000110Q233L228-Q233 WeakPolarHBondContact CA-O 3.3Å
229S87.3Confident86.6Confident9 Ų936.7 Ų36.76%0.06320%0.198CC..PPolyproline II helixtrans-66.6170.5166.877.50000111G199 H204 A231 G232 Q233G199-S229 VanDerWaalsContact O-CA 3.27Å; G199-S229 WeakPolarHBondContact O-CA 3.44Å; H204-S229 PolarHBondContact NE2-N 3.29Å; S229-A231 PolarHBondContact O-N 3.13Å; S229-A231 PolarHBondContact OG-N 3.23Å; S229-G232 WeakPolarHBondContact O-CA 3.42Å; S229-G232 PolarHBondContact O-N 3.03Å; S229-Q233 PolarHBondContact N-O 3.13Å; S229-Q233 WeakPolarHBondContact OG-CB 3.41Å; S229-Q233 PolarHBondContact OG-N 3.4Å; S229-Q233 PolarHBondContact OG-OE1 3.28Å
230A85.4Confident86.5Confident84 Ų8436.7 Ų36.769%0.69420%0.198SC*.THydrogen-bonded Turntrans-58.5-28.7172.200000112.7G199 G232G199-A230 PolarHBondContact O-N 3.46Å; A230-G232 PolarHBondContact O-N 2.98Å
231A82.2Confident86.5Confident35 Ų3537.9 Ų37.929%0.28920%0.203SC..THydrogen-bonded Turntrans-82.514.3172.500000112.9S229 Q233 S266 H267S229-A231 PolarHBondContact O-N 3.13Å; S229-A231 PolarHBondContact OG-N 3.23Å; A231-Q233 HydrophobicContact CB-CG 4.16Å; A231-Q233 PolarHBondContact O-N 3.19Å; A231-S266 PolarHBondContact O-OG 2.67Å; A231-H267 VanDerWaalsContact C-ND1 3.26Å; A231-H267 PolarHBondContact O-CE1 3.45Å; A231-H267 PolarHBondContact O-ND1 2.86Å
232G83.7Confident86.2Confident16 Ų1639.7 Ų39.717%0.16521%0.212CC..  trans65.918.917900000114.6S229 A230S229-G232 WeakPolarHBondContact O-CA 3.42Å; S229-G232 PolarHBondContact O-N 3.03Å; A230-G232 PolarHBondContact O-N 2.98Å
233Q87.1Confident85.8Confident43 Ų4332 Ų3220%0.20119%0.19CC..  trans-87.7135-178-61.5161.2-27.500110.1L228 S229 A231 F237 L238L228-Q233 WeakPolarHBondContact CA-O 3.3Å; S229-Q233 PolarHBondContact N-O 3.13Å; S229-Q233 WeakPolarHBondContact OG-CB 3.41Å; S229-Q233 PolarHBondContact OG-N 3.4Å; S229-Q233 PolarHBondContact OG-OE1 3.28Å; A231-Q233 HydrophobicContact CB-CG 4.16Å; A231-Q233 PolarHBondContact O-N 3.19Å; Q233-F237 HydrophobicContact CB-CB 4.18Å; Q233-F237 HydrophobicContact CB-CD1 3.62Å; Q233-F237 HydrophobicContact CB-CE1 4.29Å; Q233-F237 HydrophobicContact CB-CG 3.95Å; Q233-F237 HydrophobicContact CG-CD1 3.52Å; Q233-F237 HydrophobicContact CG-CE1 3.67Å; Q233-F237 HydrophobicContact CG-CG 4.03Å; Q233-F237 HydrophobicContact CG-CZ 4.27Å; Q233-L238 HydrophobicContact CB-CD2 4.22Å; Q233-L238 HydrophobicContact CB-CG 4.35Å
234S88.5Confident85.4Confident7 Ų736.4 Ų36.45%0.04922%0.218CC..  trans-76.7164172.373.30000111.7L236 F237 L238 T263S234-L236 PolarHBondContact O-N 2.93Å; S234-L236 PolarHBondContact OG-N 3.2Å; S234-F237 WeakPolarHBondContact O-CB 3.35Å; S234-F237 PolarHBondContact O-N 2.93Å; S234-F237 VanDerWaalsContact O-N 3.12Å; S234-F237 PolarHBondContact OG-N 2.87Å; S234-L238 PolarHBondContact O-N 3.29Å; S234-L238 VanDerWaalsContact O-N 3.07Å; S234-T263 WeakPolarHBondContact CB-O 3.48Å; S234-T263 WeakPolarHBondContact CB-OG1 3.37Å; S234-T263 PolarHBondContact OG-O 3.45Å
235C87.8Confident85.1Confident2 Ų235.5 Ų35.51%0.01421%0.211CC..Hα-helixtrans-59.3-32.7172.4-68.10000112.3F203 C207 V225 L238 F239 L255F203-C235 VanDerWaalsContact CD1-SG 3.58Å; F203-C235 HydrophobicContact CE1-CB 4.38Å; C207-C235 HydrophobicContact CB-CB 4.04Å; V225-C235 PolarHBondContact O-SG 2.83Å; C235-L238 PolarHBondContact O-N 3.26Å; C235-F239 WeakPolarHBondContact O-CB 3.15Å; C235-F239 PolarHBondContact O-N 3.35Å; C235-L255 HydrophobicContact CB-CD2 4.32Å
236L87.1Confident84.5Confident3 Ų336 Ų362%0.01621%0.213CC..Hα-helixtrans-67.7-42.3174.8-178.765000111.5S234 L238 F239 L240 L252 L255 L256 L262 V264S234-L236 PolarHBondContact O-N 2.93Å; S234-L236 PolarHBondContact OG-N 3.2Å; L236-L238 VanDerWaalsContact C-N 3.34Å; L236-L238 PolarHBondContact O-N 3.33Å; L236-F239 PolarHBondContact O-N 2.83Å; L236-L240 HydrophobicContact CD1-CD1 4.02Å; L236-L240 HydrophobicContact CD1-CG 4.24Å; L236-L240 HydrophobicContact CG-CD1 3.99Å; L236-L240 WeakPolarHBondContact O-CB 3.41Å; L236-L240 WeakPolarHBondContact O-CG 3.38Å; L236-L240 PolarHBondContact O-N 3.11Å; L236-L252 HydrophobicContact CD1-CD1 3.75Å; L236-L255 HydrophobicContact CD1-CB 4.32Å; L236-L256 HydrophobicContact CD1-CD2 4.16Å; L236-L256 HydrophobicContact CD1-CG 4.33Å; L236-L256 HydrophobicContact CD2-CD2 3.64Å; L236-L262 HydrophobicContact CD2-CD2 4.16Å; L236-V264 HydrophobicContact CD2-CG2 3.91Å
237F88.6Confident83.9Confident8 Ų841.4 Ų41.44%0.03523%0.229CC..Hα-helixtrans-56.9-49.8173.9177.3-75.2000110.7Q233 S234 F239 L240 N241 V264 R270 P272Q233-F237 HydrophobicContact CB-CB 4.18Å; Q233-F237 HydrophobicContact CB-CD1 3.62Å; Q233-F237 HydrophobicContact CB-CE1 4.29Å; Q233-F237 HydrophobicContact CB-CG 3.95Å; Q233-F237 HydrophobicContact CG-CD1 3.52Å; Q233-F237 HydrophobicContact CG-CE1 3.67Å; Q233-F237 HydrophobicContact CG-CG 4.03Å; Q233-F237 HydrophobicContact CG-CZ 4.27Å; S234-F237 WeakPolarHBondContact O-CB 3.35Å; S234-F237 PolarHBondContact O-N 2.93Å; S234-F237 VanDerWaalsContact O-N 3.12Å; S234-F237 PolarHBondContact OG-N 2.87Å; F237-F239 PolarHBondContact O-N 3.12Å; F237-L240 CarbonylContact O-C 3.58Å; F237-L240 PolarHBondContact O-N 3.23Å; F237-N241 HydrophobicContact CE1-CB 4.36Å; F237-N241 WeakPolarHBondContact O-CB 3.24Å; F237-N241 PolarHBondContact O-N 3.17Å; F237-V264 VanDerWaalsContact CD2-O 3.27Å; F237-V264 WeakPolarHBondContact CD2-O 3.37Å; F237-R270 WeakPolarHBondContact CE2-O 3.41Å; F237-P272 HydrophobicContact CD2-CB 4.48Å; F237-P272 HydrophobicContact CD2-CG 3.65Å; F237-P272 HydrophobicContact CE2-CB 4.37Å; F237-P272 HydrophobicContact CE2-CG 3.89Å; F237-P272 HydrophobicContact CG-CG 4.08Å
238L87.8Confident83.5Confident8 Ų839.3 Ų39.34%0.04222%0.221CC..Hα-helixtrans-63.7-42.5-177.7-67.5178.9000112H204 Q233 S234 C235 L236 N241H204-L238 HydrophobicContact CB-CD1 3.59Å; Q233-L238 HydrophobicContact CB-CD2 4.22Å; Q233-L238 HydrophobicContact CB-CG 4.35Å; S234-L238 PolarHBondContact O-N 3.29Å; S234-L238 VanDerWaalsContact O-N 3.07Å; C235-L238 PolarHBondContact O-N 3.26Å; L236-L238 VanDerWaalsContact C-N 3.34Å; L236-L238 PolarHBondContact O-N 3.33Å; L238-N241 PolarHBondContact O-N 3.26Å
239F88.1Confident83.1Confident0 Ų037 Ų370%022%0.217CC..Hα-helixtrans-58.4-48.4174.7174.5-93.3000111.4C207 C235 L236 F237 N241 H242 N245 N248 L251 L252 L255C207-F239 WeakPolarHBondContact O-CA 3.44Å; C207-F239 WeakPolarHBondContact O-CD2 3.45Å; C235-F239 WeakPolarHBondContact O-CB 3.15Å; C235-F239 PolarHBondContact O-N 3.35Å; L236-F239 PolarHBondContact O-N 2.83Å; F237-F239 PolarHBondContact O-N 3.12Å; F239-N241 PolarHBondContact O-N 3.27Å; F239-H242 PolarHBondContact O-N 3.16Å; F239-N245 HydrophobicContact CD1-CB 4.41Å; F239-N245 HydrophobicContact CD2-CB 3.85Å; F239-N245 HydrophobicContact CE1-CB 4.18Å; F239-N245 HydrophobicContact CE2-CB 3.6Å; F239-N245 HydrophobicContact CG-CB 4.26Å; F239-N245 HydrophobicContact CZ-CB 3.8Å; F239-N245 WeakPolarHBondContact CZ-O 3.3Å; F239-N245 WeakPolarHBondContact O-CB 3.48Å; F239-N245 PolarHBondContact O-ND2 3.49Å; F239-N248 HydrophobicContact CE2-CB 4.34Å; F239-N248 HydrophobicContact CZ-CB 4.21Å; F239-L251 HydrophobicContact CD2-CD2 3.9Å; F239-L251 HydrophobicContact CD2-CG 4.16Å; F239-L251 HydrophobicContact CE2-CB 4.1Å; F239-L251 HydrophobicContact CE2-CD2 3.64Å; F239-L251 HydrophobicContact CE2-CG 3.8Å; F239-L251 HydrophobicContact CZ-CB 4.48Å; F239-L252 HydrophobicContact CD1-CD1 4.24Å; F239-L252 HydrophobicContact CE1-CB 3.77Å; F239-L252 HydrophobicContact CE1-CD1 3.92Å; F239-L252 HydrophobicContact CE1-CG 4.36Å; F239-L252 HydrophobicContact CZ-CB 4.04Å; F239-L255 HydrophobicContact CB-CD1 3.77Å; F239-L255 HydrophobicContact CD1-CD1 4.45Å; F239-L255 HydrophobicContact CD2-CD1 4.09Å; F239-L255 HydrophobicContact CG-CD1 3.85Å
240L86.5Confident82.9Confident0 Ų039.2 Ų39.20%023%0.233CC..Hα-helixtrans-74.7-6.9179.8-67.5174.9000113.9L236 F237 H242 L252 V264 P272 T274 L275 L287 F340L236-L240 HydrophobicContact CD1-CD1 4.02Å; L236-L240 HydrophobicContact CD1-CG 4.24Å; L236-L240 HydrophobicContact CG-CD1 3.99Å; L236-L240 WeakPolarHBondContact O-CB 3.41Å; L236-L240 WeakPolarHBondContact O-CG 3.38Å; L236-L240 PolarHBondContact O-N 3.11Å; F237-L240 CarbonylContact O-C 3.58Å; F237-L240 PolarHBondContact O-N 3.23Å; L240-H242 VanDerWaalsContact C-N 3.26Å; L240-L252 HydrophobicContact CD2-CD1 4.14Å; L240-V264 HydrophobicContact CD1-CG1 4.42Å; L240-P272 HydrophobicContact CB-CB 3.8Å; L240-P272 HydrophobicContact CB-CG 3.87Å; L240-P272 WeakPolarHBondContact O-CB 3.29Å; L240-T274 WeakPolarHBondContact O-CB 3.39Å; L240-T274 PolarHBondContact O-OG1 2.82Å; L240-L275 HydrophobicContact CD1-CD1 4.26Å; L240-L287 HydrophobicContact CD1-CD1 3.56Å; L240-F340 HydrophobicContact CD2-CE1 3.84Å; L240-F340 HydrophobicContact CD2-CE2 4.47Å; L240-F340 HydrophobicContact CD2-CZ 3.8Å
241N86.5Confident82.8Confident53 Ų5335.2 Ų35.228%0.28320%0.2SC..THydrogen-bonded Turntrans-80.8-10.6177.3-164.547000112.6F237 L238 F239 P272 S273F237-N241 HydrophobicContact CE1-CB 4.36Å; F237-N241 WeakPolarHBondContact O-CB 3.24Å; F237-N241 PolarHBondContact O-N 3.17Å; L238-N241 PolarHBondContact O-N 3.26Å; F239-N241 PolarHBondContact O-N 3.27Å; N241-P272 HydrophobicContact CB-CB 4.43Å; N241-S273 PolarHBondContact O-OG 3.49Å; N241-S273 WeakPolarHBondContact OD1-CB 3.39Å; N241-S273 PolarHBondContact OD1-N 2.79Å; N241-S273 PolarHBondContact OD1-OG 3.28Å
242H82.6Confident82.9Confident78 Ų7833.7 Ų33.736%0.36119%0.187SC..SBendtrans-115.1112.8177.4-69.6-84000110.4S208 F239 L240 N245S208-H242 PolarHBondContact O-CD2 3.35Å; S208-H242 PolarHBondContact OG-CD2 3.27Å; S208-H242 PolarHBondContact OG-NE2 3.17Å; S208-H242 VanDerWaalsContact OG-NE2 3.12Å; F239-H242 PolarHBondContact O-N 3.16Å; L240-H242 VanDerWaalsContact C-N 3.26Å; H242-N245 VanDerWaalsContact O-CB 3.27Å; H242-N245 WeakPolarHBondContact O-CB 3.41Å; H242-N245 PolarHBondContact O-N 3.14Å
243T76.1Confident82.8Confident55 Ų5534.8 Ų34.834%0.33719%0.189SC..G310 helixtrans-53.2-38.9-177.4-480000114.8N245 T246 T274 F280T243-N245 PolarHBondContact O-N 2.99Å; T243-N245 VanDerWaalsContact O-N 3.15Å; T243-T246 WeakPolarHBondContact O-CB 3.44Å; T243-T246 WeakPolarHBondContact O-CG2 3.17Å; T243-T246 PolarHBondContact O-N 3.49Å; T243-T246 VanDerWaalsContact O-N 3.14Å; T243-T246 PolarHBondContact O-OG1 2.96Å; T243-T274 HydrophobicContact CG2-CG2 4.25Å; T243-T274 PolarHBondContact N-OG1 3.35Å; T243-T274 PolarHBondContact OG1-OG1 2.97Å; T243-F280 HydrophobicContact CG2-CE2 4.34Å; T243-F280 HydrophobicContact CG2-CZ 4.44Å
244P78.2Confident82.7Confident97 Ų9733.2 Ų33.263%0.6318%0.181SC*.G310 helixtrans-60.7-26.1178.3-24.935.3000114.4T246 R247P244-T246 PolarHBondContact O-N 3.16Å; P244-R247 PolarHBondContact O-N 2.91Å
245N80.8Confident82.6Confident15 Ų1533 Ų338%0.0818%0.179CC..G310 helixtrans-68.2-22.1-179.6-69.5-10.8000112.3S208 G210 F239 H242 T243 R247 N248S208-N245 PolarHBondContact O-ND2 3.36Å; G210-N245 WeakPolarHBondContact CA-OD1 3.47Å; F239-N245 HydrophobicContact CD1-CB 4.41Å; F239-N245 HydrophobicContact CD2-CB 3.85Å; F239-N245 HydrophobicContact CE1-CB 4.18Å; F239-N245 HydrophobicContact CE2-CB 3.6Å; F239-N245 HydrophobicContact CG-CB 4.26Å; F239-N245 HydrophobicContact CZ-CB 3.8Å; F239-N245 WeakPolarHBondContact CZ-O 3.3Å; F239-N245 WeakPolarHBondContact O-CB 3.48Å; F239-N245 PolarHBondContact O-ND2 3.49Å; H242-N245 VanDerWaalsContact O-CB 3.27Å; H242-N245 WeakPolarHBondContact O-CB 3.41Å; H242-N245 PolarHBondContact O-N 3.14Å; T243-N245 PolarHBondContact O-N 2.99Å; T243-N245 VanDerWaalsContact O-N 3.15Å; N245-R247 PolarHBondContact O-N 3.12Å; N245-R247 VanDerWaalsContact O-N 3.12Å; N245-N248 WeakPolarHBondContact O-CB 3.4Å; N245-N248 PolarHBondContact O-N 3.43Å
246T71.9Confident82.4Confident15 Ų1533.4 Ų33.49%0.09218%0.181CC..G310 helixtrans-62.6-21.1179.763.30000113.4T243 P244 N248 T274 F280 F340T243-T246 WeakPolarHBondContact O-CB 3.44Å; T243-T246 WeakPolarHBondContact O-CG2 3.17Å; T243-T246 PolarHBondContact O-N 3.49Å; T243-T246 VanDerWaalsContact O-N 3.14Å; T243-T246 PolarHBondContact O-OG1 2.96Å; P244-T246 PolarHBondContact O-N 3.16Å; T246-N248 VanDerWaalsContact C-N 3.27Å; T246-N248 PolarHBondContact O-N 3.19Å; T246-T274 HydrophobicContact CG2-CG2 3.68Å; T246-F280 HydrophobicContact CG2-CE1 4.3Å; T246-F280 HydrophobicContact CG2-CZ 4.29Å; T246-F340 HydrophobicContact CG2-CB 4.22Å; T246-F340 HydrophobicContact CG2-CD1 3.81Å; T246-F340 HydrophobicContact CG2-CG 4.3Å
247R72.7Confident82.1Confident180 Ų18034.2 Ų34.268%0.67919%0.186SC*.G310 helixtrans-71.8-20.7172.8-64.1-178.9171.7169.9-2.2112.8P244 N245 G249 E345P244-R247 PolarHBondContact O-N 2.91Å; N245-R247 PolarHBondContact O-N 3.12Å; N245-R247 VanDerWaalsContact O-N 3.12Å; R247-G249 PolarHBondContact O-N 3.12Å; R247-G249 VanDerWaalsContact O-N 3.15Å; R247-E345 IonicContact CZ-OE1 3.39Å; R247-E345 IonicContact NE-OE2 3.08Å; R247-E345 IonicContact NH2-OE1 2.63Å; R247-E345 PolarHBondContact NH2-OE1 3.32Å; R247-E345 IonicContact NH2-OE2 2.74Å; R247-E345 PolarHBondContact NH2-OE2 3.38Å
248N77.3Confident81.8Confident35 Ų3533.9 Ų33.919%0.18719%0.185CC..  trans-88.674.8-179.1-166.9-17.6000111.2G210 F239 N245 T246 S250 L251 L252G210-N248 PolarHBondContact O-ND2 3.35Å; F239-N248 HydrophobicContact CE2-CB 4.34Å; F239-N248 HydrophobicContact CZ-CB 4.21Å; N245-N248 WeakPolarHBondContact O-CB 3.4Å; N245-N248 PolarHBondContact O-N 3.43Å; T246-N248 VanDerWaalsContact C-N 3.27Å; T246-N248 PolarHBondContact O-N 3.19Å; N248-S250 VanDerWaalsContact C-N 3.32Å; N248-S250 PolarHBondContact O-N 3.09Å; N248-S250 PolarHBondContact OD1-OG 3.19Å; N248-L251 HydrophobicContact CB-CB 4.42Å; N248-L251 PolarHBondContact O-N 3.49Å; N248-L251 WeakPolarHBondContact OD1-CB 3.39Å; N248-L251 PolarHBondContact OD1-N 2.87Å; N248-L251 VanDerWaalsContact OD1-N 3.09Å; N248-L252 PolarHBondContact O-N 3.07Å; N248-L252 VanDerWaalsContact O-N 3.13Å
249G78.9Confident81.6Confident33 Ų3333.9 Ų33.934%0.3419%0.186SC..Hα-helixtrans-62.7-34.3-179.700000113.8R247 L252 I253R247-G249 PolarHBondContact O-N 3.12Å; R247-G249 VanDerWaalsContact O-N 3.15Å; G249-L252 PolarHBondContact O-N 3.32Å; G249-I253 WeakPolarHBondContact O-CD1 3.27Å; G249-I253 VanDerWaalsContact O-CG1 3.24Å; G249-I253 WeakPolarHBondContact O-CG1 3.39Å; G249-I253 PolarHBondContact O-N 2.9Å
250S82.6Confident81.2Confident57 Ų5735.4 Ų35.440%0.39920%0.195SC..Hα-helixtrans-64.4-48.4178.847.50000111.7E212 N248 L252 I253 K254E212-S250 WeakPolarHBondContact OE2-CB 3.34Å; E212-S250 PolarHBondContact OE2-OG 3.05Å; N248-S250 VanDerWaalsContact C-N 3.32Å; N248-S250 PolarHBondContact O-N 3.09Å; N248-S250 PolarHBondContact OD1-OG 3.19Å; S250-L252 PolarHBondContact O-N 3.36Å; S250-I253 PolarHBondContact O-N 3.13Å; S250-K254 WeakPolarHBondContact O-CB 3.43Å; S250-K254 PolarHBondContact O-N 3.14Å
251L84.2Confident80.8Confident0 Ų040.3 Ų40.30%023%0.227CC..Hα-helixtrans-66-38.4177.3-178.854.4000111.9G210 E212 V215 F239 N248 K254 L255G210-L251 VanDerWaalsContact C-CD2 3.49Å; E212-L251 HydrophobicContact CB-CB 4.32Å; V215-L251 HydrophobicContact CB-CD1 4.03Å; V215-L251 HydrophobicContact CG1-CD1 3.84Å; V215-L251 HydrophobicContact CG2-CD1 3.94Å; V215-L251 HydrophobicContact CG2-CD2 4.45Å; F239-L251 HydrophobicContact CD2-CD2 3.9Å; F239-L251 HydrophobicContact CD2-CG 4.16Å; F239-L251 HydrophobicContact CE2-CB 4.1Å; F239-L251 HydrophobicContact CE2-CD2 3.64Å; F239-L251 HydrophobicContact CE2-CG 3.8Å; F239-L251 HydrophobicContact CZ-CB 4.48Å; N248-L251 HydrophobicContact CB-CB 4.42Å; N248-L251 PolarHBondContact O-N 3.49Å; N248-L251 WeakPolarHBondContact OD1-CB 3.39Å; N248-L251 PolarHBondContact OD1-N 2.87Å; N248-L251 VanDerWaalsContact OD1-N 3.09Å; L251-K254 WeakPolarHBondContact O-CB 3.14Å; L251-K254 PolarHBondContact O-N 2.91Å; L251-L255 HydrophobicContact CD1-CD1 4.29Å; L251-L255 HydrophobicContact CD1-CG 4.08Å; L251-L255 HydrophobicContact CG-CD1 4.21Å; L251-L255 HydrophobicContact CG-CG 4.44Å; L251-L255 WeakPolarHBondContact O-CG 3.41Å; L251-L255 PolarHBondContact O-N 2.93Å
252L84.9Confident80.4Confident3 Ų338.9 Ų38.92%0.01622%0.219CC..Hα-helixtrans-58.9-51.2175.1174.264.8000111.8L236 F239 L240 N248 G249 S250 K254 L255 L256 F340L236-L252 HydrophobicContact CD1-CD1 3.75Å; F239-L252 HydrophobicContact CD1-CD1 4.24Å; F239-L252 HydrophobicContact CE1-CB 3.77Å; F239-L252 HydrophobicContact CE1-CD1 3.92Å; F239-L252 HydrophobicContact CE1-CG 4.36Å; F239-L252 HydrophobicContact CZ-CB 4.04Å; L240-L252 HydrophobicContact CD2-CD1 4.14Å; N248-L252 PolarHBondContact O-N 3.07Å; N248-L252 VanDerWaalsContact O-N 3.13Å; G249-L252 PolarHBondContact O-N 3.32Å; S250-L252 PolarHBondContact O-N 3.36Å; L252-K254 VanDerWaalsContact C-N 3.26Å; L252-K254 PolarHBondContact O-N 3.38Å; L252-L255 PolarHBondContact O-N 3.37Å; L252-L256 HydrophobicContact CD1-CD1 4Å; L252-L256 HydrophobicContact CD1-CG 4.15Å; L252-L256 HydrophobicContact CG-CD1 3.95Å; L252-L256 HydrophobicContact CG-CG 4.48Å; L252-L256 WeakPolarHBondContact O-CB 3.45Å; L252-L256 WeakPolarHBondContact O-CG 3.49Å; L252-L256 PolarHBondContact O-N 3.45Å; L252-F340 HydrophobicContact CD1-CE2 4.33Å; L252-F340 HydrophobicContact CD2-CD2 3.24Å; L252-F340 HydrophobicContact CD2-CE2 3.28Å; L252-F340 HydrophobicContact CD2-CG 4.36Å; L252-F340 HydrophobicContact CD2-CZ 4.39Å; L252-F340 HydrophobicContact CG-CE2 4.41Å
253I81.6Confident80.3Confident39 Ų3937.6 Ų37.620%0.222%0.217CC..Hα-helixtrans-60.7-40.1179.1-67.2165.1000110.2G249 S250 L256 T257 W333 I335G249-I253 WeakPolarHBondContact O-CD1 3.27Å; G249-I253 VanDerWaalsContact O-CG1 3.24Å; G249-I253 WeakPolarHBondContact O-CG1 3.39Å; G249-I253 PolarHBondContact O-N 2.9Å; S250-I253 PolarHBondContact O-N 3.13Å; I253-L256 PolarHBondContact O-N 3.03Å; I253-T257 WeakPolarHBondContact O-CB 3.41Å; I253-T257 PolarHBondContact O-N 3.25Å; I253-T257 PolarHBondContact O-OG1 3.46Å; I253-W333 HydrophobicContact CG2-CB 3.91Å; I253-I335 HydrophobicContact CD1-CG1 4.37Å
254K84.6Confident80.5Confident9 Ų935.2 Ų35.24%0.03920%0.202CC..Hα-helixtrans-61.5-48.4177.1-168.2174.3-65.7167.30111.5E212 D216 L219 S250 L251 L252 T257 L258 W333E212-K254 IonicContact OE1-NZ 2.82Å; E212-K254 PolarHBondContact OE1-NZ 3.12Å; D216-K254 WeakPolarHBondContact OD1-CD 3.1Å; D216-K254 WeakPolarHBondContact OD1-CE 3.19Å; D216-K254 IonicContact OD1-NZ 2.63Å; D216-K254 PolarHBondContact OD1-NZ 2.77Å; D216-K254 IonicContact OD2-NZ 2.82Å; D216-K254 PolarHBondContact OD2-NZ 2.63Å; L219-K254 HydrophobicContact CD1-CD 4.41Å; S250-K254 WeakPolarHBondContact O-CB 3.43Å; S250-K254 PolarHBondContact O-N 3.14Å; L251-K254 WeakPolarHBondContact O-CB 3.14Å; L251-K254 PolarHBondContact O-N 2.91Å; L252-K254 VanDerWaalsContact C-N 3.26Å; L252-K254 PolarHBondContact O-N 3.38Å; K254-T257 PolarHBondContact O-N 3Å; K254-L258 HydrophobicContact CG-CD1 3.94Å; K254-L258 WeakPolarHBondContact O-CB 3.05Å; K254-L258 VanDerWaalsContact O-CG 3.27Å; K254-L258 WeakPolarHBondContact O-CG 3.48Å; K254-L258 PolarHBondContact O-N 2.9Å; K254-W333 HydrophobicContact CB-CE3 4.29Å; K254-W333 HydrophobicContact CB-CZ3 4.25Å; K254-W333 HydrophobicContact CD-CH2 4.41Å; K254-W333 HydrophobicContact CD-CZ2 4.48Å; K254-W333 HydrophobicContact CG-CE3 4.17Å; K254-W333 HydrophobicContact CG-CH2 3.71Å; K254-W333 HydrophobicContact CG-CZ2 4.17Å; K254-W333 HydrophobicContact CG-CZ3 3.71Å
255L85.6Confident80.5Confident3 Ų333.2 Ų33.22%0.01619%0.19CC..Hα-helixtrans-64.6-42176.7-70.7176.8000112C207 V225 C235 L236 F239 L251 L252 T257 L258 S259C207-L255 HydrophobicContact CB-CD1 4.48Å; V225-L255 HydrophobicContact CG1-CD2 4.33Å; C235-L255 HydrophobicContact CB-CD2 4.32Å; L236-L255 HydrophobicContact CD1-CB 4.32Å; F239-L255 HydrophobicContact CB-CD1 3.77Å; F239-L255 HydrophobicContact CD1-CD1 4.45Å; F239-L255 HydrophobicContact CD2-CD1 4.09Å; F239-L255 HydrophobicContact CG-CD1 3.85Å; L251-L255 HydrophobicContact CD1-CD1 4.29Å; L251-L255 HydrophobicContact CD1-CG 4.08Å; L251-L255 HydrophobicContact CG-CD1 4.21Å; L251-L255 HydrophobicContact CG-CG 4.44Å; L251-L255 WeakPolarHBondContact O-CG 3.41Å; L251-L255 PolarHBondContact O-N 2.93Å; L252-L255 PolarHBondContact O-N 3.37Å; L255-T257 VanDerWaalsContact C-N 3.32Å; L255-T257 PolarHBondContact O-N 3.39Å; L255-L258 PolarHBondContact O-N 2.93Å; L255-S259 WeakPolarHBondContact O-CB 2.98Å; L255-S259 PolarHBondContact O-N 3.15Å; L255-S259 PolarHBondContact O-OG 3.39Å
256L83.7Confident80.6Confident10 Ų1033 Ų335%0.05219%0.189CC..Hα-helixtrans-61.3-41.1175.3-75.5171.5000111.8L236 L252 I253 S259 L262 L287 K295L236-L256 HydrophobicContact CD1-CD2 4.16Å; L236-L256 HydrophobicContact CD1-CG 4.33Å; L236-L256 HydrophobicContact CD2-CD2 3.64Å; L252-L256 HydrophobicContact CD1-CD1 4Å; L252-L256 HydrophobicContact CD1-CG 4.15Å; L252-L256 HydrophobicContact CG-CD1 3.95Å; L252-L256 HydrophobicContact CG-CG 4.48Å; L252-L256 WeakPolarHBondContact O-CB 3.45Å; L252-L256 WeakPolarHBondContact O-CG 3.49Å; L252-L256 PolarHBondContact O-N 3.45Å; I253-L256 PolarHBondContact O-N 3.03Å; L256-S259 PolarHBondContact O-OG 3.45Å; L256-L262 HydrophobicContact CD2-CD2 3.87Å; L256-L287 HydrophobicContact CD1-CD2 4.41Å; L256-L287 HydrophobicContact CD2-CD2 3.69Å; L256-K295 PolarHBondContact O-NZ 2.89Å
257T81.8Confident81Confident20 Ų2038.2 Ų38.212%0.12321%0.212CC..Hα-helixtrans-67.7-50.8179.4-57.10000110.7I253 K254 L255 K295 K302 S303 W333I253-T257 WeakPolarHBondContact O-CB 3.41Å; I253-T257 PolarHBondContact O-N 3.25Å; I253-T257 PolarHBondContact O-OG1 3.46Å; K254-T257 PolarHBondContact O-N 3Å; L255-T257 VanDerWaalsContact C-N 3.32Å; L255-T257 PolarHBondContact O-N 3.39Å; T257-K295 PolarHBondContact O-NZ 3.4Å; T257-K302 HydrophobicContact CG2-CD 4.47Å; T257-S303 PolarHBondContact O-OG 3.23Å; T257-W333 HydrophobicContact CG2-CE3 4.03Å; T257-W333 HydrophobicContact CG2-CZ3 3.99Å
258L82.4Confident81.3Confident2 Ų234.3 Ų34.31%0.0121%0.205CC..Hα-helixtrans-75.6-25.9-172.4-64.5175.8000114.2L219 V225 K254 L255 T260 Y306 L307 W333L219-L258 HydrophobicContact CD1-CD1 3.9Å; L219-L258 HydrophobicContact CD2-CD1 4.14Å; V225-L258 HydrophobicContact CG1-CB 4.1Å; V225-L258 HydrophobicContact CG2-CB 4.25Å; V225-L258 HydrophobicContact CG2-CD1 4.4Å; K254-L258 HydrophobicContact CG-CD1 3.94Å; K254-L258 WeakPolarHBondContact O-CB 3.05Å; K254-L258 VanDerWaalsContact O-CG 3.27Å; K254-L258 WeakPolarHBondContact O-CG 3.48Å; K254-L258 PolarHBondContact O-N 2.9Å; L255-L258 PolarHBondContact O-N 2.93Å; L258-T260 PolarHBondContact O-N 3.37Å; L258-Y306 HydrophobicContact CD1-CD1 4.45Å; L258-Y306 HydrophobicContact CD1-CE1 4.21Å; L258-Y306 HydrophobicContact CD2-CD1 3.62Å; L258-Y306 HydrophobicContact CD2-CE1 4.16Å; L258-Y306 HydrophobicContact CD2-CG 4.38Å; L258-L307 HydrophobicContact CD2-CD2 4.42Å; L258-L307 HydrophobicContact CD2-CG 4.35Å; L258-W333 HydrophobicContact CD1-CH2 4.12Å; L258-W333 HydrophobicContact CD1-CZ3 4.31Å; L258-W333 HydrophobicContact CD2-CH2 4.04Å; L258-W333 HydrophobicContact CD2-CZ3 4.07Å; L258-W333 HydrophobicContact CG-CH2 4.11Å; L258-W333 HydrophobicContact CG-CZ3 3.92Å
259S82.5Confident81.4Confident8 Ų835.2 Ų35.26%0.05622%0.223CC..  trans-74.6122.8-175.852.20000112.6N226 L255 L256 L262 K295N226-S259 VanDerWaalsContact OD1-CA 3.26Å; N226-S259 WeakPolarHBondContact OD1-CA 3.35Å; L255-S259 WeakPolarHBondContact O-CB 2.98Å; L255-S259 PolarHBondContact O-N 3.15Å; L255-S259 PolarHBondContact O-OG 3.39Å; L256-S259 PolarHBondContact O-OG 3.45Å; S259-L262 WeakPolarHBondContact OG-CD2 3.09Å; S259-K295 WeakPolarHBondContact O-CE 3.37Å; S259-K295 PolarHBondContact O-NZ 2.99Å
260T79.1Confident81.7Confident31 Ų3142 Ų4219%0.1924%0.238CC..SBendtrans-147.3110.7-178.835.70000109.6N226 L258 K295 I300N226-T260 PolarHBondContact ND2-O 3.36Å; N226-T260 PolarHBondContact ND2-OG1 2.94Å; N226-T260 PolarHBondContact OD1-N 2.88Å; N226-T260 PolarHBondContact OD1-O 3.22Å; L258-T260 PolarHBondContact O-N 3.37Å; T260-K295 HydrophobicContact CG2-CD 3.81Å; T260-I300 HydrophobicContact CG2-CG1 4.29Å
261P78.2Confident81.9Confident103 Ų10341.6 Ų41.667%0.66923%0.231SC*.SBendcis-71.9152.1-130.6-35.3000113.4T263P261-T263 HydrophobicContact CG-CG2 4.35Å; P261-T263 PolarHBondContact O-N 2.92Å
262L79.4Confident82Confident23 Ų2341.6 Ų41.612%0.1223%0.231CC..  trans-70.9109.9172.2-85165.4000109.1L236 L256 S259 T291 K295L236-L262 HydrophobicContact CD2-CD2 4.16Å; L256-L262 HydrophobicContact CD2-CD2 3.87Å; S259-L262 WeakPolarHBondContact OG-CD2 3.09Å; L262-T291 HydrophobicContact CB-CG2 4.24Å; L262-K295 HydrophobicContact CD1-CD 4.41Å; L262-K295 HydrophobicContact CD1-CG 4.37Å
263T79.3Confident81.9Confident51 Ų5143.9 Ų43.931%0.31325%0.248SC..  trans-123.7119.517747.80000108.8S234 P261S234-T263 WeakPolarHBondContact CB-O 3.48Å; S234-T263 WeakPolarHBondContact CB-OG1 3.37Å; S234-T263 PolarHBondContact OG-O 3.45Å; P261-T263 HydrophobicContact CG-CG2 4.35Å; P261-T263 PolarHBondContact O-N 2.92Å
264V79.9Confident82Confident6 Ų642 Ų424%0.03624%0.238CC..  trans-105.3-13.4180-177.80000111.1L236 F237 L240 L271 P272 L275 L287 T291L236-V264 HydrophobicContact CD2-CG2 3.91Å; F237-V264 VanDerWaalsContact CD2-O 3.27Å; F237-V264 WeakPolarHBondContact CD2-O 3.37Å; L240-V264 HydrophobicContact CD1-CG1 4.42Å; V264-L271 HydrophobicContact CG1-CD2 4.33Å; V264-P272 HydrophobicContact CG1-CG 4.37Å; V264-P272 WeakPolarHBondContact O-CD 3.17Å; V264-L275 HydrophobicContact CG1-CD1 3.71Å; V264-L287 HydrophobicContact CG1-CD1 4.39Å; V264-L287 HydrophobicContact CG2-CB 4.42Å; V264-T291 HydrophobicContact CB-CG2 4.23Å; V264-T291 HydrophobicContact CG2-CG2 3.51Å
265C79.9Confident81.9Confident54 Ų5441.7 Ų41.737%0.36524%0.236SC..SBendtrans-102.2152.2178.4-58.50000111.6R270C265-R270 VanDerWaalsContact CA-O 3.32Å; C265-R270 WeakPolarHBondContact CA-O 3.39Å
266S82Confident81.9Confident10 Ų1045.7 Ų45.77%0.0726%0.261CS..  trans-66168.5164-177.70000111A231 D268 G269 R270A231-S266 PolarHBondContact O-OG 2.67Å; S266-D268 PolarHBondContact O-N 2.97Å; S266-G269 PolarHBondContact O-N 3.48Å; S266-R270 PolarHBondContact N-O 2.91Å
267H79.6Confident81.9Confident125 Ų12548.9 Ų48.958%0.57928%0.276SS*.THydrogen-bonded Turntrans-55.4-32170.374.2-63.1000112.9A231 G269A231-H267 VanDerWaalsContact C-ND1 3.26Å; A231-H267 PolarHBondContact O-CE1 3.45Å; A231-H267 PolarHBondContact O-ND1 2.86Å; H267-G269 PolarHBondContact O-N 3.48Å
268D79.6Confident81.9Confident98 Ų9853.7 Ų53.752%0.52431%0.308SS..THydrogen-bonded Turntrans-75.53.3175.5-59-49.9000114.2S266 R270S266-D268 PolarHBondContact O-N 2.97Å; D268-R270 HydrophobicContact CB-CG 4.18Å; D268-R270 PolarHBondContact O-N 3.28Å
269G80.4Confident81.7Confident54 Ų5457 Ų5756%0.55733%0.33SS*.  trans72.98.2-175.500000114.7S266 H267S266-G269 PolarHBondContact O-N 3.48Å; H267-G269 PolarHBondContact O-N 3.48Å
270R85.2Confident81.6Confident175 Ų17556.9 Ų56.966%0.6633%0.329SS*.PPolyproline II helixtrans-73.7140.5177.6-66.8-177.7177.91721.1111.4F237 C265 S266 D268F237-R270 WeakPolarHBondContact CE2-O 3.41Å; C265-R270 VanDerWaalsContact CA-O 3.32Å; C265-R270 WeakPolarHBondContact CA-O 3.39Å; S266-R270 PolarHBondContact N-O 2.91Å; D268-R270 HydrophobicContact CB-CG 4.18Å; D268-R270 PolarHBondContact O-N 3.28Å
271L85.4Confident81.7Confident49 Ų4960.6 Ų60.626%0.25734%0.342SS..PPolyproline II helixtrans-86.1154.9170.9-73.3167.2000111.4V264 L275 T276 R284V264-L271 HydrophobicContact CG1-CD2 4.33Å; L271-L275 HydrophobicContact CD2-CD1 4.47Å; L271-T276 HydrophobicContact CB-CG2 4.45Å; L271-R284 HydrophobicContact CD1-CG 4.42Å
272P85.9Confident81.8Confident0 Ų061.8 Ų61.80%034%0.337CS..PPolyproline II helixtrans-57143.2171.1-20.430.3000111.1F237 L240 N241 V264 T274 L275 T276F237-P272 HydrophobicContact CD2-CB 4.48Å; F237-P272 HydrophobicContact CD2-CG 3.65Å; F237-P272 HydrophobicContact CE2-CB 4.37Å; F237-P272 HydrophobicContact CE2-CG 3.89Å; F237-P272 HydrophobicContact CG-CG 4.08Å; L240-P272 HydrophobicContact CB-CB 3.8Å; L240-P272 HydrophobicContact CB-CG 3.87Å; L240-P272 WeakPolarHBondContact O-CB 3.29Å; N241-P272 HydrophobicContact CB-CB 4.43Å; V264-P272 HydrophobicContact CG1-CG 4.37Å; V264-P272 WeakPolarHBondContact O-CD 3.17Å; P272-T274 PolarHBondContact O-N 3.04Å; P272-T274 VanDerWaalsContact O-N 3.17Å; P272-L275 HydrophobicContact CG-CD1 4.24Å; P272-L275 PolarHBondContact O-N 3.27Å; P272-T276 PolarHBondContact O-N 3.01Å
273S84.8Confident81.8Confident52 Ų5261.5 Ų61.536%0.36434%0.335SS..Hα-helixtrans-56.3-37.3-174.863.40000113N241 L275 T276N241-S273 PolarHBondContact O-OG 3.49Å; N241-S273 WeakPolarHBondContact OD1-CB 3.39Å; N241-S273 PolarHBondContact OD1-N 2.79Å; N241-S273 PolarHBondContact OD1-OG 3.28Å; S273-L275 VanDerWaalsContact C-N 3.33Å; S273-L275 PolarHBondContact O-N 3.47Å; S273-T276 PolarHBondContact O-N 2.76Å; S273-T276 VanDerWaalsContact O-N 3.11Å; S273-T276 PolarHBondContact O-OG1 3.41Å
274T83.6Confident82.1Confident0 Ų061.5 Ų61.50%033%0.329CS..Hα-helixtrans-61.7-38.5177.3-52.60000112.5L240 T243 T246 P272 T276 Q277 F280L240-T274 WeakPolarHBondContact O-CB 3.39Å; L240-T274 PolarHBondContact O-OG1 2.82Å; T243-T274 HydrophobicContact CG2-CG2 4.25Å; T243-T274 PolarHBondContact N-OG1 3.35Å; T243-T274 PolarHBondContact OG1-OG1 2.97Å; T246-T274 HydrophobicContact CG2-CG2 3.68Å; P272-T274 PolarHBondContact O-N 3.04Å; P272-T274 VanDerWaalsContact O-N 3.17Å; T274-T276 PolarHBondContact O-N 3.13Å; T274-Q277 PolarHBondContact O-N 3.41Å; T274-F280 HydrophobicContact CG2-CD2 3.57Å; T274-F280 HydrophobicContact CG2-CE2 3.42Å; T274-F280 VanDerWaalsContact CG2-CE2 3.42Å; T274-F280 HydrophobicContact CG2-CG 4.2Å; T274-F280 HydrophobicContact CG2-CZ 3.93Å; T274-F280 WeakPolarHBondContact O-CD2 3.24Å
275L82.7Confident82.2Confident1 Ų165.4 Ų65.41%0.00535%0.347CS..Hα-helixtrans-73.6-13.4178-63.4-172.2000113.8L240 V264 L271 P272 S273 Q277 F280 R284 L287 F340L240-L275 HydrophobicContact CD1-CD1 4.26Å; V264-L275 HydrophobicContact CG1-CD1 3.71Å; L271-L275 HydrophobicContact CD2-CD1 4.47Å; P272-L275 HydrophobicContact CG-CD1 4.24Å; P272-L275 PolarHBondContact O-N 3.27Å; S273-L275 VanDerWaalsContact C-N 3.33Å; S273-L275 PolarHBondContact O-N 3.47Å; L275-Q277 VanDerWaalsContact C-N 3.29Å; L275-F280 HydrophobicContact CD2-CB 4.39Å; L275-R284 HydrophobicContact CB-CB 4.35Å; L275-R284 HydrophobicContact CB-CG 4.36Å; L275-R284 HydrophobicContact CD2-CB 4.29Å; L275-R284 WeakPolarHBondContact O-CD 3.47Å; L275-R284 PolarHBondContact O-NH1 3.13Å; L275-L287 HydrophobicContact CD1-CD1 3.85Å; L275-L287 HydrophobicContact CD2-CD1 4.27Å; L275-F340 HydrophobicContact CD2-CE1 3.77Å; L275-F340 HydrophobicContact CD2-CZ 4.32Å
276T85.1Confident82.3Confident88 Ų8866.4 Ų66.454%0.5435%0.346SS..Hα-helixtrans-77.6-17.5174.568.40000112.6L271 P272 S273 T274L271-T276 HydrophobicContact CB-CG2 4.45Å; P272-T276 PolarHBondContact O-N 3.01Å; S273-T276 PolarHBondContact O-N 2.76Å; S273-T276 VanDerWaalsContact O-N 3.11Å; S273-T276 PolarHBondContact O-OG1 3.41Å; T274-T276 PolarHBondContact O-N 3.13Å
277Q84.1Confident82.3Confident76 Ų7666 Ų6636%0.35534%0.343SS..SBendtrans-75.3141.7-179.3-57.6-178.5-11.900111.3T274 L275 C279 F280T274-Q277 PolarHBondContact O-N 3.41Å; L275-Q277 VanDerWaalsContact C-N 3.29Å; Q277-C279 VanDerWaalsContact CB-SG 3.6Å; Q277-C279 PolarHBondContact O-N 3.49Å; Q277-F280 HydrophobicContact CB-CD2 4.17Å; Q277-F280 PolarHBondContact O-N 3.38Å; Q277-F280 VanDerWaalsContact O-N 3.14Å
278P80.7Confident82.4Confident122 Ų12262.3 Ų62.379%0.79233%0.327SS*.G310 helixtrans-57.8-32.3-178.4-25.734000114.2F280 F281P278-F280 PolarHBondContact O-N 3.05Å; P278-F281 WeakPolarHBondContact O-CB 3.28Å; P278-F281 PolarHBondContact O-N 3.45Å
279C79.3Confident82.6Confident70 Ų7063 Ų6347%0.47333%0.327SS..G310 helixtrans-64.7-22.2-179.6490000114.1Q277Q277-C279 VanDerWaalsContact CB-SG 3.6Å; Q277-C279 PolarHBondContact O-N 3.49Å
280F80.4Confident82.6Confident7 Ų761.5 Ų61.53%0.03131%0.307CS..G310 helixtrans-103.818.5180-63.6-71000113.2T243 T246 T274 L275 Q277 P278 K282 Q283 R284 F340T243-F280 HydrophobicContact CG2-CE2 4.34Å; T243-F280 HydrophobicContact CG2-CZ 4.44Å; T246-F280 HydrophobicContact CG2-CE1 4.3Å; T246-F280 HydrophobicContact CG2-CZ 4.29Å; T274-F280 HydrophobicContact CG2-CD2 3.57Å; T274-F280 HydrophobicContact CG2-CE2 3.42Å; T274-F280 VanDerWaalsContact CG2-CE2 3.42Å; T274-F280 HydrophobicContact CG2-CG 4.2Å; T274-F280 HydrophobicContact CG2-CZ 3.93Å; T274-F280 WeakPolarHBondContact O-CD2 3.24Å; L275-F280 HydrophobicContact CD2-CB 4.39Å; Q277-F280 HydrophobicContact CB-CD2 4.17Å; Q277-F280 PolarHBondContact O-N 3.38Å; Q277-F280 VanDerWaalsContact O-N 3.14Å; P278-F280 PolarHBondContact O-N 3.05Å; F280-K282 PolarHBondContact O-N 3.47Å; F280-Q283 VanDerWaalsContact CA-OE1 3.3Å; F280-Q283 PolarHBondContact O-N 2.88Å; F280-Q283 PolarHBondContact O-OE1 2.63Å; F280-R284 WeakPolarHBondContact O-CB 3.27Å; F280-R284 PolarHBondContact O-N 3.02Å; F280-F340 AromaticContact CD1-CD1 3.8Å; F280-F340 HydrophobicContact CD1-CD1 3.8Å; F280-F340 HydrophobicContact CD1-CE1 4.48Å; F280-F340 HydrophobicContact CE1-CB 4.3Å; F280-F340 HydrophobicContact CE1-CD1 4.04Å
281F80.6Confident82.4Confident109 Ų10955.7 Ų55.748%0.47829%0.291SS..Hα-helixtrans-56.9-47.6-178.4-178-87.8000112.6P278 Q283 R284 E285P278-F281 WeakPolarHBondContact O-CB 3.28Å; P278-F281 PolarHBondContact O-N 3.45Å; F281-Q283 PolarHBondContact O-N 2.98Å; F281-R284 PolarHBondContact O-N 3.37Å; F281-E285 HydrophobicContact CD1-CG 4.32Å; F281-E285 HydrophobicContact CE1-CG 3.86Å; F281-E285 HydrophobicContact CZ-CG 4.03Å; F281-E285 PolarHBondContact O-N 2.62Å
282K79.4Confident82.2Confident127 Ų12760.4 Ų60.455%0.55231%0.311SS*.Hα-helixtrans-60.7-46.2-179.7-65.8-180-176172.40111.1F280 E285 Q286 E343F280-K282 PolarHBondContact O-N 3.47Å; K282-E285 PolarHBondContact O-N 3.11Å; K282-Q286 WeakPolarHBondContact O-CG 2.98Å; K282-Q286 PolarHBondContact O-N 3.3Å; K282-E343 IonicContact NZ-OE1 3.45Å; K282-E343 PolarHBondContact NZ-OE1 2.68Å
283Q80.6Confident81.9Confident18 Ų1865.3 Ų65.38%0.08433%0.334CS..Hα-helixtrans-68.1-36.9-179.6-63.784-900111.9F280 F281 Q286 L287 L338 P339 F340F280-Q283 VanDerWaalsContact CA-OE1 3.3Å; F280-Q283 PolarHBondContact O-N 2.88Å; F280-Q283 PolarHBondContact O-OE1 2.63Å; F281-Q283 PolarHBondContact O-N 2.98Å; Q283-Q286 PolarHBondContact O-N 3.32Å; Q283-L287 WeakPolarHBondContact O-CB 3.49Å; Q283-L287 WeakPolarHBondContact O-CG 3.46Å; Q283-L287 PolarHBondContact O-N 3.49Å; Q283-L338 HydrophobicContact CB-CD2 4.28Å; Q283-P339 PolarHBondContact NE2-O 3.12Å; Q283-F340 HydrophobicContact CB-CD1 4.12Å; Q283-F340 HydrophobicContact CB-CE1 3.75Å; Q283-F340 HydrophobicContact CB-CE2 4.29Å; Q283-F340 HydrophobicContact CB-CZ 3.84Å; Q283-F340 HydrophobicContact CG-CD1 4.07Å; Q283-F340 HydrophobicContact CG-CD2 4.31Å; Q283-F340 HydrophobicContact CG-CE1 4.2Å; Q283-F340 HydrophobicContact CG-CE2 4.41Å; Q283-F340 HydrophobicContact CG-CG 4.12Å; Q283-F340 HydrophobicContact CG-CZ 4.36Å
284R84.5Confident81.4Confident51 Ų5168.7 Ų68.719%0.19236%0.355CS..Hα-helixtrans-59.6-51.6173.6178-179.167.5-157.413.9111L271 L275 F280 F281 Q286 L287 I288L271-R284 HydrophobicContact CD1-CG 4.42Å; L275-R284 HydrophobicContact CB-CB 4.35Å; L275-R284 HydrophobicContact CB-CG 4.36Å; L275-R284 HydrophobicContact CD2-CB 4.29Å; L275-R284 WeakPolarHBondContact O-CD 3.47Å; L275-R284 PolarHBondContact O-NH1 3.13Å; F280-R284 WeakPolarHBondContact O-CB 3.27Å; F280-R284 PolarHBondContact O-N 3.02Å; F281-R284 PolarHBondContact O-N 3.37Å; R284-Q286 VanDerWaalsContact C-N 3.33Å; R284-Q286 PolarHBondContact O-N 3.36Å; R284-L287 PolarHBondContact O-N 3.26Å; R284-I288 HydrophobicContact CG-CD1 3.74Å; R284-I288 HydrophobicContact CG-CG1 4.44Å; R284-I288 VanDerWaalsContact O-CG1 3.28Å; R284-I288 WeakPolarHBondContact O-CG1 3.25Å; R284-I288 PolarHBondContact O-N 3.18Å
285E81.8Confident81.1Confident88 Ų8871 Ų7141%0.41137%0.365SS..Hα-helixtrans-60.3-43.8179.3-71.6-58.2129.200111.5F281 K282 L287 I288 Q289F281-E285 HydrophobicContact CD1-CG 4.32Å; F281-E285 HydrophobicContact CE1-CG 3.86Å; F281-E285 HydrophobicContact CZ-CG 4.03Å; F281-E285 PolarHBondContact O-N 2.62Å; K282-E285 PolarHBondContact O-N 3.11Å; E285-L287 PolarHBondContact O-N 3.22Å; E285-I288 PolarHBondContact O-N 3.23Å; E285-Q289 WeakPolarHBondContact O-CB 3.28Å; E285-Q289 PolarHBondContact O-N 2.87Å
286Q82.1Confident81.1Confident75 Ų7574.6 Ų74.635%0.3539%0.387SS..Hα-helixtrans-60.2-46.1175.9-75176-23.500112.4K282 Q283 R284 Q289 L290 L338K282-Q286 WeakPolarHBondContact O-CG 2.98Å; K282-Q286 PolarHBondContact O-N 3.3Å; Q283-Q286 PolarHBondContact O-N 3.32Å; R284-Q286 VanDerWaalsContact C-N 3.33Å; R284-Q286 PolarHBondContact O-N 3.36Å; Q286-Q289 WeakPolarHBondContact O-CB 3.37Å; Q286-Q289 PolarHBondContact O-N 2.89Å; Q286-L290 WeakPolarHBondContact O-CG 3.29Å; Q286-L290 PolarHBondContact O-N 3.3Å; Q286-L338 HydrophobicContact CB-CD1 4.41Å; Q286-L338 HydrophobicContact CB-CD2 3.67Å; Q286-L338 HydrophobicContact CB-CG 4.11Å
287L82.7Confident80.9Confident1 Ų176.7 Ų76.71%0.00539%0.394CS..Hα-helixtrans-63.6-42.1177-80-179.5000112.1L240 L256 V264 L275 Q283 R284 E285 Q289 L290 T291 L338 F340L240-L287 HydrophobicContact CD1-CD1 3.56Å; L256-L287 HydrophobicContact CD1-CD2 4.41Å; L256-L287 HydrophobicContact CD2-CD2 3.69Å; V264-L287 HydrophobicContact CG1-CD1 4.39Å; V264-L287 HydrophobicContact CG2-CB 4.42Å; L275-L287 HydrophobicContact CD1-CD1 3.85Å; L275-L287 HydrophobicContact CD2-CD1 4.27Å; Q283-L287 WeakPolarHBondContact O-CB 3.49Å; Q283-L287 WeakPolarHBondContact O-CG 3.46Å; Q283-L287 PolarHBondContact O-N 3.49Å; R284-L287 PolarHBondContact O-N 3.26Å; E285-L287 PolarHBondContact O-N 3.22Å; L287-Q289 VanDerWaalsContact C-N 3.32Å; L287-Q289 PolarHBondContact O-N 3.23Å; L287-L290 PolarHBondContact O-N 3.18Å; L287-T291 WeakPolarHBondContact O-CG2 3.45Å; L287-T291 PolarHBondContact O-N 3.42Å; L287-L338 HydrophobicContact CD2-CD1 4.34Å; L287-L338 HydrophobicContact CD2-CD2 4.16Å; L287-L338 HydrophobicContact CG-CD2 3.92Å; L287-F340 HydrophobicContact CD1-CZ 3.73Å; L287-F340 HydrophobicContact CG-CZ 4.38Å
288I82.3Confident80.9Confident47 Ų4780.1 Ų80.124%0.24140%0.404CS..Hα-helixtrans-61.6-44.9176.5-68.7169.3000109.7R284 E285 L290 T291 Q292R284-I288 HydrophobicContact CG-CD1 3.74Å; R284-I288 HydrophobicContact CG-CG1 4.44Å; R284-I288 VanDerWaalsContact O-CG1 3.28Å; R284-I288 WeakPolarHBondContact O-CG1 3.25Å; R284-I288 PolarHBondContact O-N 3.18Å; E285-I288 PolarHBondContact O-N 3.23Å; I288-L290 VanDerWaalsContact C-N 3.3Å; I288-L290 PolarHBondContact O-N 2.58Å; I288-T291 PolarHBondContact O-N 3.49Å; I288-T291 VanDerWaalsContact O-N 3.14Å; I288-T291 PolarHBondContact O-OG1 3.24Å; I288-Q292 WeakPolarHBondContact O-CG 3.36Å; I288-Q292 PolarHBondContact O-N 3.16Å
289Q82.8Confident80.8Confident113 Ų11376.3 Ų76.353%0.52838%0.377SS..Hα-helixtrans-58.7-41.6175.9-169.1179.712.200111.8E285 Q286 L287 T291 Q292 Q293E285-Q289 WeakPolarHBondContact O-CB 3.28Å; E285-Q289 PolarHBondContact O-N 2.87Å; Q286-Q289 WeakPolarHBondContact O-CB 3.37Å; Q286-Q289 PolarHBondContact O-N 2.89Å; L287-Q289 VanDerWaalsContact C-N 3.32Å; L287-Q289 PolarHBondContact O-N 3.23Å; Q289-T291 PolarHBondContact O-N 3.41Å; Q289-Q292 PolarHBondContact O-N 3.33Å; Q289-Q293 WeakPolarHBondContact O-CG 3.23Å; Q289-Q293 PolarHBondContact O-N 3Å
290L80.4Confident80.8Confident23 Ų2375.8 Ų75.812%0.1237%0.369CS..Hα-helixtrans-66.1-34.7176.2-72.3175.8000113.6Q286 L287 I288 Q292 Q293 Q336 L338Q286-L290 WeakPolarHBondContact O-CG 3.29Å; Q286-L290 PolarHBondContact O-N 3.3Å; L287-L290 PolarHBondContact O-N 3.18Å; I288-L290 VanDerWaalsContact C-N 3.3Å; I288-L290 PolarHBondContact O-N 2.58Å; L290-Q292 PolarHBondContact O-N 3.23Å; L290-Q293 PolarHBondContact O-N 3.15Å; L290-Q336 VanDerWaalsContact CD2-CD 3.47Å; L290-Q336 VanDerWaalsContact CD2-OE1 3.26Å; L290-L338 HydrophobicContact CD1-CD1 3.26Å; L290-L338 HydrophobicContact CG-CD1 4.49Å
291T80.8Confident80.9Confident53 Ų5378 Ų7833%0.32539%0.385SS..Hα-helixtrans-67.4-26.9175.560.80000112.9L262 V264 L287 I288 Q289L262-T291 HydrophobicContact CB-CG2 4.24Å; V264-T291 HydrophobicContact CB-CG2 4.23Å; V264-T291 HydrophobicContact CG2-CG2 3.51Å; L287-T291 WeakPolarHBondContact O-CG2 3.45Å; L287-T291 PolarHBondContact O-N 3.42Å; I288-T291 PolarHBondContact O-N 3.49Å; I288-T291 VanDerWaalsContact O-N 3.14Å; I288-T291 PolarHBondContact O-OG1 3.24Å; Q289-T291 PolarHBondContact O-N 3.41Å
292Q81.8Confident81.1Confident148 Ų14873.2 Ų73.269%0.69236%0.364SS*.Hα-helixtrans-82.4-20.5178.6-66.2174.1600112.7I288 Q289 L290I288-Q292 WeakPolarHBondContact O-CG 3.36Å; I288-Q292 PolarHBondContact O-N 3.16Å; Q289-Q292 PolarHBondContact O-N 3.33Å; L290-Q292 PolarHBondContact O-N 3.23Å
293Q79.5Confident81.1Confident102 Ų10267.2 Ų67.248%0.47734%0.338SS..SBendtrans-85.1127.8178.7-69.8179.615.200110.8Q289 L290 K295Q289-Q293 WeakPolarHBondContact O-CG 3.23Å; Q289-Q293 PolarHBondContact O-N 3Å; L290-Q293 PolarHBondContact O-N 3.15Å; Q293-K295 PolarHBondContact O-N 3.44Å
294P75.5Confident81.2Confident124 Ų12470.7 Ų70.781%0.80536%0.357SS*.PPolyproline II helixtrans-65128173.127.2-32.4000109.2T296P294-T296 PolarHBondContact O-N 3.28Å
295K76.1Confident81.1Confident49 Ų4970.9 Ų70.921%0.21336%0.361CS..PPolyproline II helixtrans-60141.6174-77.4-158.5177.8174.20110.5L256 T257 S259 T260 L262 Q293 I300L256-K295 PolarHBondContact O-NZ 2.89Å; T257-K295 PolarHBondContact O-NZ 3.4Å; S259-K295 WeakPolarHBondContact O-CE 3.37Å; S259-K295 PolarHBondContact O-NZ 2.99Å; T260-K295 HydrophobicContact CG2-CD 3.81Å; L262-K295 HydrophobicContact CD1-CD 4.41Å; L262-K295 HydrophobicContact CD1-CG 4.37Å; Q293-K295 PolarHBondContact O-N 3.44Å; K295-I300 HydrophobicContact CB-CD1 4.32Å; K295-I300 HydrophobicContact CB-CG1 4.03Å
296T82.6Confident81.2Confident75 Ų7567.3 Ų67.346%0.4634%0.344SS..PPolyproline II helixtrans-62.9148.217673.80000109.8P294 R298 D299 I300P294-T296 PolarHBondContact O-N 3.28Å; T296-R298 PolarHBondContact O-N 3.18Å; T296-R298 VanDerWaalsContact O-N 3.13Å; T296-D299 PolarHBondContact O-N 3.44Å; T296-D299 PolarHBondContact OG1-N 3.37Å; T296-D299 PolarHBondContact OG1-OD2 3.05Å; T296-I300 PolarHBondContact O-N 2.91Å; T296-I300 VanDerWaalsContact O-N 3.17Å
297L82.3Confident81.1Confident132 Ų13265.9 Ų65.969%0.69134%0.339SS*.Hα-helixtrans-55.1-33.2174.4-176.264.7000111.2D299 I300 C301L297-D299 PolarHBondContact O-N 3.29Å; L297-I300 PolarHBondContact O-N 3.43Å; L297-C301 VanDerWaalsContact O-CB 3.28Å; L297-C301 WeakPolarHBondContact O-CB 3.33Å; L297-C301 PolarHBondContact O-N 3.48Å; L297-C301 PolarHBondContact O-SG 2.89Å
298R82.3Confident81Confident149 Ų14973.7 Ų73.756%0.56237%0.373SS*.Hα-helixtrans-59.2-44.9176.4-172.6-178.8177.8-178.3-4.6112.1T296 K302 F328T296-R298 PolarHBondContact O-N 3.18Å; T296-R298 VanDerWaalsContact O-N 3.13Å; R298-K302 WeakPolarHBondContact O-CB 3.49Å; R298-K302 PolarHBondContact O-N 3.25Å; R298-F328 HydrophobicContact CG-CE1 3.72Å; R298-F328 HydrophobicContact CG-CZ 3.69Å; R298-F328 VanDerWaalsContact NH2-CD2 3.33Å
299D79.1Confident80.8Confident42 Ų4273 Ų7323%0.22537%0.368CS..Hα-helixtrans-73.1-35.6-179.3-59.2-40.7000112.7T296 L297 K302 S303T296-D299 PolarHBondContact O-N 3.44Å; T296-D299 PolarHBondContact OG1-N 3.37Å; T296-D299 PolarHBondContact OG1-OD2 3.05Å; L297-D299 PolarHBondContact O-N 3.29Å; D299-K302 PolarHBondContact O-N 2.83Å; D299-S303 PolarHBondContact O-N 3.17Å; D299-S303 PolarHBondContact O-OG 3.46Å
300I80Confident80.5Confident58 Ų5868.2 Ų68.230%0.29735%0.346SS..Hα-helixtrans-64.3-48.5173.9-63.1170.4000109.5T260 K295 T296 L297 K302 S303 N304T260-I300 HydrophobicContact CG2-CG1 4.29Å; K295-I300 HydrophobicContact CB-CD1 4.32Å; K295-I300 HydrophobicContact CB-CG1 4.03Å; T296-I300 PolarHBondContact O-N 2.91Å; T296-I300 VanDerWaalsContact O-N 3.17Å; L297-I300 PolarHBondContact O-N 3.43Å; I300-K302 PolarHBondContact O-N 3.41Å; I300-S303 PolarHBondContact O-N 2.86Å; I300-N304 WeakPolarHBondContact O-CB 3.31Å; I300-N304 PolarHBondContact O-N 2.84Å; I300-N304 PolarHBondContact O-ND2 3.08Å
301C82.6Confident80.2Confident55 Ų5574.4 Ų74.437%0.37237%0.368SS..Hα-helixtrans-60.4-44.8176.3-740000111.5L297 S303 N304 I305L297-C301 VanDerWaalsContact O-CB 3.28Å; L297-C301 WeakPolarHBondContact O-CB 3.33Å; L297-C301 PolarHBondContact O-N 3.48Å; L297-C301 PolarHBondContact O-SG 2.89Å; C301-S303 PolarHBondContact O-N 3.31Å; C301-N304 PolarHBondContact O-N 3.36Å; C301-I305 WeakPolarHBondContact O-CB 3.48Å; C301-I305 WeakPolarHBondContact O-CD1 3.47Å; C301-I305 WeakPolarHBondContact O-CG1 3.48Å; C301-I305 PolarHBondContact O-N 3.45Å
302K83.7Confident79.3Confident7 Ų775.4 Ų75.43%0.0339%0.388CS..Hα-helixtrans-54-52.8174.9173.4174176.7172.70112T257 R298 D299 I300 N304 I305 Y306 F328 Q332T257-K302 HydrophobicContact CG2-CD 4.47Å; R298-K302 WeakPolarHBondContact O-CB 3.49Å; R298-K302 PolarHBondContact O-N 3.25Å; D299-K302 PolarHBondContact O-N 2.83Å; I300-K302 PolarHBondContact O-N 3.41Å; K302-N304 VanDerWaalsContact C-N 3.34Å; K302-N304 PolarHBondContact O-N 3.14Å; K302-I305 PolarHBondContact O-N 3.45Å; K302-Y306 VanDerWaalsContact O-CB 3.25Å; K302-Y306 WeakPolarHBondContact O-CB 3.13Å; K302-Y306 PolarHBondContact O-N 3Å; K302-F328 HydrophobicContact CB-CE1 3.92Å; K302-F328 HydrophobicContact CB-CZ 4.46Å; K302-F328 HydrophobicContact CD-CD1 4.27Å; K302-F328 HydrophobicContact CD-CE1 3.72Å; K302-F328 HydrophobicContact CD-CE2 4.28Å; K302-F328 HydrophobicContact CD-CZ 3.7Å; K302-F328 WeakPolarHBondContact CE-O 3.48Å; K302-F328 HydrophobicContact CG-CE1 4.22Å; K302-F328 PolarHBondContact NZ-O 2.91Å; K302-F328 VanDerWaalsContact NZ-O 3.12Å; K302-Q332 WeakPolarHBondContact CE-O 3.22Å; K302-Q332 PolarHBondContact NZ-O 3.14Å
303S80.6Confident78.5Confident1 Ų175 Ų751%0.00738%0.381CS..Hα-helixtrans-61.3-43.6-179.1-57.50000111.6T257 D299 I300 C301 Y306 L307T257-S303 PolarHBondContact O-OG 3.23Å; D299-S303 PolarHBondContact O-N 3.17Å; D299-S303 PolarHBondContact O-OG 3.46Å; I300-S303 PolarHBondContact O-N 2.86Å; C301-S303 PolarHBondContact O-N 3.31Å; S303-Y306 PolarHBondContact O-N 2.92Å; S303-L307 WeakPolarHBondContact O-CB 3.4Å; S303-L307 VanDerWaalsContact O-CG 3.26Å; S303-L307 WeakPolarHBondContact O-CG 3.39Å; S303-L307 PolarHBondContact O-N 3.47Å
304N81.9Confident78Confident91 Ų9174 Ų7449%0.48738%0.375SS..Hα-helixtrans-65.4-43.9178.6-75.6-26.4000112.7I300 C301 K302 K308I300-N304 WeakPolarHBondContact O-CB 3.31Å; I300-N304 PolarHBondContact O-N 2.84Å; I300-N304 PolarHBondContact O-ND2 3.08Å; C301-N304 PolarHBondContact O-N 3.36Å; K302-N304 VanDerWaalsContact C-N 3.34Å; K302-N304 PolarHBondContact O-N 3.14Å; N304-K308 WeakPolarHBondContact O-CB 3.45Å; N304-K308 PolarHBondContact O-N 3.33Å
305I82.4Confident77.7Confident56 Ų5673.9 Ų73.929%0.28736%0.363SS..Hα-helixtrans-64.9-46.7177.6-65.6164.1000109.5C301 K302 K308 H309 V329C301-I305 WeakPolarHBondContact O-CB 3.48Å; C301-I305 WeakPolarHBondContact O-CD1 3.47Å; C301-I305 WeakPolarHBondContact O-CG1 3.48Å; C301-I305 PolarHBondContact O-N 3.45Å; K302-I305 PolarHBondContact O-N 3.45Å; I305-K308 PolarHBondContact O-N 3.03Å; I305-H309 WeakPolarHBondContact O-CB 3.41Å; I305-H309 PolarHBondContact O-CD2 2.87Å; I305-H309 PolarHBondContact O-N 3.12Å; I305-V329 HydrophobicContact CB-CG1 4.26Å; I305-V329 HydrophobicContact CG2-CG1 3.91Å
306Y82.9Confident77.5Confident13 Ų1377.2 Ų77.25%0.05138%0.379CS..Hα-helixtrans-56.5-56.5178.1-178.4-96.7000111.1L219 L258 K302 S303 K308 H309 I310 F330 W333L219-Y306 HydrophobicContact CD1-CE1 4.32Å; L258-Y306 HydrophobicContact CD1-CD1 4.45Å; L258-Y306 HydrophobicContact CD1-CE1 4.21Å; L258-Y306 HydrophobicContact CD2-CD1 3.62Å; L258-Y306 HydrophobicContact CD2-CE1 4.16Å; L258-Y306 HydrophobicContact CD2-CG 4.38Å; K302-Y306 VanDerWaalsContact O-CB 3.25Å; K302-Y306 WeakPolarHBondContact O-CB 3.13Å; K302-Y306 PolarHBondContact O-N 3Å; S303-Y306 PolarHBondContact O-N 2.92Å; Y306-K308 VanDerWaalsContact C-N 3.26Å; Y306-K308 PolarHBondContact O-N 2.88Å; Y306-H309 PolarHBondContact O-N 2.98Å; Y306-I310 HydrophobicContact CD1-CD1 4.44Å; Y306-I310 HydrophobicContact CE1-CD1 3.58Å; Y306-I310 HydrophobicContact CE1-CG1 4.47Å; Y306-I310 HydrophobicContact CE2-CD1 4.3Å; Y306-I310 VanDerWaalsContact CZ-CD1 3.48Å; Y306-I310 WeakPolarHBondContact O-CB 3.42Å; Y306-I310 WeakPolarHBondContact O-CG2 3.41Å; Y306-I310 PolarHBondContact O-N 2.91Å; Y306-I310 VanDerWaalsContact OH-CD1 3.32Å; Y306-I310 WeakPolarHBondContact OH-CD1 3.38Å; Y306-F330 AromaticContact CD2-CD1 3.68Å; Y306-F330 HydrophobicContact CD2-CD1 3.68Å; Y306-F330 AromaticContact CD2-CE1 3.97Å; Y306-F330 HydrophobicContact CD2-CE1 3.97Å; Y306-F330 AromaticContact CE2-CD1 3.95Å; Y306-F330 HydrophobicContact CE2-CD1 3.95Å; Y306-F330 HydrophobicContact CE2-CE1 4.48Å; Y306-W333 HydrophobicContact CD1-CH2 4.2Å; Y306-W333 HydrophobicContact CD2-CH2 4.44Å; Y306-W333 HydrophobicContact CD2-CZ2 4.39Å; Y306-W333 AromaticContact CE1-CH2 3.8Å; Y306-W333 HydrophobicContact CE1-CH2 3.8Å; Y306-W333 HydrophobicContact CE1-CZ2 4.16Å; Y306-W333 HydrophobicContact CE2-CH2 4.09Å; Y306-W333 AromaticContact CE2-CZ2 3.75Å; Y306-W333 HydrophobicContact CE2-CZ2 3.75Å; Y306-W333 HydrophobicContact CG-CH2 4.5Å; Y306-W333 AromaticContact CZ-CH2 3.75Å; Y306-W333 AromaticContact CZ-CZ2 3.61Å
307L80.9Confident76.9Confident45 Ų4574.8 Ų74.824%0.23636%0.364CS..Hα-helixtrans-62.4-31.1-178.4-68.4173.4000113.2L219 V225 L258 S303L219-L307 HydrophobicContact CD2-CD2 3.8Å; V225-L307 HydrophobicContact CG2-CD2 4.26Å; L258-L307 HydrophobicContact CD2-CD2 4.42Å; L258-L307 HydrophobicContact CD2-CG 4.35Å; S303-L307 WeakPolarHBondContact O-CB 3.4Å; S303-L307 VanDerWaalsContact O-CG 3.26Å; S303-L307 WeakPolarHBondContact O-CG 3.39Å; S303-L307 PolarHBondContact O-N 3.47Å
308K80.4Confident76.6Confident165 Ų16574.5 Ų74.572%0.71736%0.357SS*.Hα-helixtrans-76.5-32.6178.9-172.7175-179.6-179.30113N304 I305 Y306N304-K308 WeakPolarHBondContact O-CB 3.45Å; N304-K308 PolarHBondContact O-N 3.33Å; I305-K308 PolarHBondContact O-N 3.03Å; Y306-K308 VanDerWaalsContact C-N 3.26Å; Y306-K308 PolarHBondContact O-N 2.88Å
309H77.9Confident76.4Confident32 Ų3276.1 Ų76.115%0.14837%0.368CS..Hα-helixtrans-119.21-167-69.3-74.3000115.5I305 Y306 R311 L317 F330I305-H309 WeakPolarHBondContact O-CB 3.41Å; I305-H309 PolarHBondContact O-CD2 2.87Å; I305-H309 PolarHBondContact O-N 3.12Å; Y306-H309 PolarHBondContact O-N 2.98Å; H309-R311 PolarHBondContact O-N 3.49Å; H309-R311 VanDerWaalsContact O-N 3.11Å; H309-L317 HydrophobicContact CB-CD1 3.34Å; H309-F330 HydrophobicContact CB-CZ 4.28Å
310I77Confident76.5Confident13 Ų1379.8 Ų79.87%0.06739%0.391CS..THydrogen-bonded Turntrans-55.7-28.1176.4-172.3174000113L219 P220 Y306L219-I310 HydrophobicContact CB-CD1 3.72Å; P220-I310 HydrophobicContact CB-CG2 4.44Å; P220-I310 HydrophobicContact CG-CD1 3.96Å; P220-I310 HydrophobicContact CG-CG1 4.01Å; Y306-I310 HydrophobicContact CD1-CD1 4.44Å; Y306-I310 HydrophobicContact CE1-CD1 3.58Å; Y306-I310 HydrophobicContact CE1-CG1 4.47Å; Y306-I310 HydrophobicContact CE2-CD1 4.3Å; Y306-I310 VanDerWaalsContact CZ-CD1 3.48Å; Y306-I310 WeakPolarHBondContact O-CB 3.42Å; Y306-I310 WeakPolarHBondContact O-CG2 3.41Å; Y306-I310 PolarHBondContact O-N 2.91Å; Y306-I310 VanDerWaalsContact OH-CD1 3.32Å; Y306-I310 WeakPolarHBondContact OH-CD1 3.38Å
311R73.6Confident76.5Confident153 Ų15379 Ų7958%0.57739%0.387SS*.THydrogen-bonded Turntrans-89.8110.7179.3-168.2177.5-177.7-171.21.6111.9P220 H309 R313P220-R311 HydrophobicContact CB-CB 4.32Å; H309-R311 PolarHBondContact O-N 3.49Å; H309-R311 VanDerWaalsContact O-N 3.11Å; R311-R313 PolarHBondContact O-N 3.24Å
312G63Low76.6Confident73 Ų7380.3 Ų80.375%0.75340%0.396SS*.THydrogen-bonded Turntrans68.5-13.6160.600000117.6
313R64.3Low76.5Confident141 Ų14187.1 Ų87.153%0.53243%0.428SS..  trans-100.210.3-178.7-63-169.2-177.8177.60.1114.2R311 E315 E316 L317R311-R313 PolarHBondContact O-N 3.24Å; R313-E315 PolarHBondContact O-N 2.95Å; R313-E316 PolarHBondContact O-N 2.91Å; R313-L317 HydrophobicContact CB-CD1 4.24Å; R313-L317 HydrophobicContact CB-CG 4.49Å; R313-L317 VanDerWaalsContact O-CB 3.29Å; R313-L317 WeakPolarHBondContact O-CB 3.37Å; R313-L317 WeakPolarHBondContact O-CD1 3.47Å; R313-L317 VanDerWaalsContact O-CG 3.26Å; R313-L317 WeakPolarHBondContact O-CG 3.41Å; R313-L317 PolarHBondContact O-N 3.32Å
314K68Low76.6Confident80 Ų8091.4 Ų91.435%0.34846%0.458SS..Hα-helixtrans-58.7-46.8179.6-71.4-171.8-179.9-177.20111.4L317 K318 Y326 F330K314-L317 PolarHBondContact O-N 3.44Å; K314-K318 WeakPolarHBondContact O-CB 3.35Å; K314-K318 PolarHBondContact O-N 3.26Å; K314-Y326 WeakPolarHBondContact O-CE2 3.34Å; K314-F330 HydrophobicContact CG-CE1 4.4Å
315E69.1Low76.5Confident122 Ų12290.5 Ų90.557%0.5745%0.452SS*.Hα-helixtrans-70-34.4179.9-64.8-56147.700113.3R313R313-E315 PolarHBondContact O-N 2.95Å
316E72.3Confident76.4Confident118 Ų11889 Ų8955%0.55144%0.443SS*.Hα-helixtrans-67.2-44.5173.8-66.2178.1174.300110.9R313 K318 K319 V320R313-E316 PolarHBondContact O-N 2.91Å; E316-K318 VanDerWaalsContact C-N 3.33Å; E316-K318 PolarHBondContact O-N 3.22Å; E316-K319 WeakPolarHBondContact O-CB 3.37Å; E316-K319 PolarHBondContact O-N 3.05Å; E316-K319 VanDerWaalsContact O-N 3.15Å; E316-V320 WeakPolarHBondContact O-CG2 3.37Å; E316-V320 PolarHBondContact O-N 2.94Å
317L70.9Confident76.3Confident25 Ų2590.8 Ų90.813%0.13145%0.454CS..Hα-helixtrans-69.4-30.9179.1-74.5166.8000112.8H309 R313 K314 K319 V320 L321 F330H309-L317 HydrophobicContact CB-CD1 3.34Å; R313-L317 HydrophobicContact CB-CD1 4.24Å; R313-L317 HydrophobicContact CB-CG 4.49Å; R313-L317 VanDerWaalsContact O-CB 3.29Å; R313-L317 WeakPolarHBondContact O-CB 3.37Å; R313-L317 WeakPolarHBondContact O-CD1 3.47Å; R313-L317 VanDerWaalsContact O-CG 3.26Å; R313-L317 WeakPolarHBondContact O-CG 3.41Å; R313-L317 PolarHBondContact O-N 3.32Å; K314-L317 PolarHBondContact O-N 3.44Å; L317-K319 PolarHBondContact O-N 3.18Å; L317-V320 PolarHBondContact O-N 2.89Å; L317-L321 HydrophobicContact CB-CD1 4.1Å; L317-L321 HydrophobicContact CD2-CD1 3.94Å; L317-L321 HydrophobicContact CD2-CG 4.21Å; L317-L321 VanDerWaalsContact O-CB 3.3Å; L317-L321 WeakPolarHBondContact O-CB 3.38Å; L317-L321 PolarHBondContact O-N 3.05Å; L317-F330 HydrophobicContact CD1-CE2 4.44Å; L317-F330 HydrophobicContact CD1-CZ 4.16Å
318K74.9Confident76.2Confident125 Ų12589.2 Ų89.254%0.54345%0.445SS..Hα-helixtrans-61-28.7172.3-169.1178179.4-177.10112.2K314 E316 Y326K314-K318 WeakPolarHBondContact O-CB 3.35Å; K314-K318 PolarHBondContact O-N 3.26Å; E316-K318 VanDerWaalsContact C-N 3.33Å; E316-K318 PolarHBondContact O-N 3.22Å; K318-Y326 HydrophobicContact CB-CD2 4.18Å; K318-Y326 HydrophobicContact CB-CE2 3.89Å; K318-Y326 HydrophobicContact CG-CE2 4.5Å
319K78.3Confident76.2Confident184 Ų18481.4 Ų81.480%0.841%0.411SS*.Hα-helixtrans-83-27.8176.1-64.9177.8-176.6-179.10113.5E316 L317E316-K319 WeakPolarHBondContact O-CB 3.37Å; E316-K319 PolarHBondContact O-N 3.05Å; E316-K319 VanDerWaalsContact O-N 3.15Å; L317-K319 PolarHBondContact O-N 3.18Å
320V81.3Confident76.1Confident118 Ų11880.5 Ų80.572%0.71541%0.407SS*.Hα-helixtrans-97.6-33.7-172.8177.60000112.5E316 L317E316-V320 WeakPolarHBondContact O-CG2 3.37Å; E316-V320 PolarHBondContact O-N 2.94Å; L317-V320 PolarHBondContact O-N 2.89Å
321L79.6Confident75.9Confident41 Ų4184.5 Ų84.522%0.21543%0.429CS..SBendtrans-92.9147.1-176.7-65.4175000111.7L317 L325L317-L321 HydrophobicContact CB-CD1 4.1Å; L317-L321 HydrophobicContact CD2-CD1 3.94Å; L317-L321 HydrophobicContact CD2-CG 4.21Å; L317-L321 VanDerWaalsContact O-CB 3.3Å; L317-L321 WeakPolarHBondContact O-CB 3.38Å; L317-L321 PolarHBondContact O-N 3.05Å; L321-L325 HydrophobicContact CD1-CD2 4.16Å; L321-L325 HydrophobicContact CD2-CD2 3.7Å; L321-L325 HydrophobicContact CG-CD2 4.35Å
322P86Confident75.6Confident84 Ų8481.3 Ų81.355%0.54542%0.42SS..  trans-55.2139.9166-2333.3000111.2S324 L325 Y326P322-S324 PolarHBondContact O-N 3.43Å; P322-L325 PolarHBondContact O-N 3.47Å; P322-Y326 PolarHBondContact O-N 3.17Å
323E81.4Confident75.6Confident150 Ų15080.8 Ų80.870%0.70140%0.395SS*.Hα-helixtrans-56.5-36.4-176.3-172.7173.7-169.300112.7L325 Y326 N327E323-L325 PolarHBondContact O-N 2.9Å; E323-Y326 PolarHBondContact O-N 2.91Å; E323-N327 WeakPolarHBondContact O-CB 3.33Å; E323-N327 VanDerWaalsContact O-CG 3.32Å; E323-N327 PolarHBondContact O-N 3.37Å; E323-N327 PolarHBondContact O-ND2 2.93Å
324S81.9Confident75.3Confident91 Ų9179.4 Ų79.464%0.63640%0.395SS*.Hα-helixtrans-61.9-41.9175.2560000113P322 F328P322-S324 PolarHBondContact O-N 3.43Å; S324-F328 VanDerWaalsContact O-CB 3.28Å; S324-F328 WeakPolarHBondContact O-CB 3.1Å; S324-F328 PolarHBondContact O-N 3.39Å
325L80.3Confident74.5Confident72 Ų7280.9 Ų80.938%0.37741%0.406SS..Hα-helixtrans-72.8-40.4178.3-162.997.3000111L321 P322 E323 F328 V329L321-L325 HydrophobicContact CD1-CD2 4.16Å; L321-L325 HydrophobicContact CD2-CD2 3.7Å; L321-L325 HydrophobicContact CG-CD2 4.35Å; P322-L325 PolarHBondContact O-N 3.47Å; E323-L325 PolarHBondContact O-N 2.9Å; L325-F328 PolarHBondContact O-N 3.36Å; L325-V329 WeakPolarHBondContact O-CG2 3.44Å; L325-V329 PolarHBondContact O-N 3.43Å
326Y81.3Confident73.8Confident23 Ų2379.6 Ų79.69%0.0940%0.4CS..Hα-helixtrans-59.8-49.2175.9-178.5-89.8000111.1K314 K318 P322 E323 F328 V329 F330K314-Y326 WeakPolarHBondContact O-CE2 3.34Å; K318-Y326 HydrophobicContact CB-CD2 4.18Å; K318-Y326 HydrophobicContact CB-CE2 3.89Å; K318-Y326 HydrophobicContact CG-CE2 4.5Å; P322-Y326 PolarHBondContact O-N 3.17Å; E323-Y326 PolarHBondContact O-N 2.91Å; Y326-F328 VanDerWaalsContact C-N 3.33Å; Y326-F328 PolarHBondContact O-N 2.71Å; Y326-V329 PolarHBondContact O-N 3.29Å; Y326-F330 AromaticContact CD2-CD2 3.69Å; Y326-F330 HydrophobicContact CD2-CD2 3.69Å; Y326-F330 AromaticContact CD2-CE2 3.97Å; Y326-F330 HydrophobicContact CD2-CE2 3.97Å; Y326-F330 AromaticContact CE2-CD2 3.62Å; Y326-F330 HydrophobicContact CE2-CD2 3.62Å; Y326-F330 AromaticContact CE2-CE2 3.93Å; Y326-F330 HydrophobicContact CE2-CE2 3.93Å; Y326-F330 HydrophobicContact CE2-CG 4.42Å; Y326-F330 HydrophobicContact CG-CD2 4.19Å; Y326-F330 WeakPolarHBondContact O-CD2 3.41Å; Y326-F330 PolarHBondContact O-N 3.35Å
327N80.1Confident72.7Confident52 Ų5279.9 Ų79.928%0.27841%0.405SS..Hα-helixtrans-62.7-40177-75-27.1000111.7E323 V329 N331 Q332E323-N327 WeakPolarHBondContact O-CB 3.33Å; E323-N327 VanDerWaalsContact O-CG 3.32Å; E323-N327 PolarHBondContact O-N 3.37Å; E323-N327 PolarHBondContact O-ND2 2.93Å; N327-V329 PolarHBondContact O-N 3.09Å; N327-N331 CarbonylContact O-C 3.52Å; N327-N331 WeakPolarHBondContact O-CA 3.05Å; N327-N331 WeakPolarHBondContact O-CB 3.38Å; N327-N331 PolarHBondContact O-N 3.26Å; N327-N331 PolarHBondContact OD1-ND2 3.32Å; N327-Q332 PolarHBondContact O-N 3.22Å
328F79.6Confident72.1Confident11 Ų1179.5 Ų79.55%0.04840%0.403CS..Hα-helixtrans-62-39.3176.5175.9-107000113.4R298 K302 S324 L325 Y326R298-F328 HydrophobicContact CG-CE1 3.72Å; R298-F328 HydrophobicContact CG-CZ 3.69Å; R298-F328 VanDerWaalsContact NH2-CD2 3.33Å; K302-F328 HydrophobicContact CB-CE1 3.92Å; K302-F328 HydrophobicContact CB-CZ 4.46Å; K302-F328 HydrophobicContact CD-CD1 4.27Å; K302-F328 HydrophobicContact CD-CE1 3.72Å; K302-F328 HydrophobicContact CD-CE2 4.28Å; K302-F328 HydrophobicContact CD-CZ 3.7Å; K302-F328 WeakPolarHBondContact CE-O 3.48Å; K302-F328 HydrophobicContact CG-CE1 4.22Å; K302-F328 PolarHBondContact NZ-O 2.91Å; K302-F328 VanDerWaalsContact NZ-O 3.12Å; S324-F328 VanDerWaalsContact O-CB 3.28Å; S324-F328 WeakPolarHBondContact O-CB 3.1Å; S324-F328 PolarHBondContact O-N 3.39Å; L325-F328 PolarHBondContact O-N 3.36Å; Y326-F328 VanDerWaalsContact C-N 3.33Å; Y326-F328 PolarHBondContact O-N 2.71Å
329V78.6Confident71.4Confident2 Ų277.4 Ų77.41%0.01240%0.402CS..Hα-helixtrans-80.7-40.9-176.8174.70000112.6I305 L325 Y326 N327I305-V329 HydrophobicContact CB-CG1 4.26Å; I305-V329 HydrophobicContact CG2-CG1 3.91Å; L325-V329 WeakPolarHBondContact O-CG2 3.44Å; L325-V329 PolarHBondContact O-N 3.43Å; Y326-V329 PolarHBondContact O-N 3.29Å; N327-V329 PolarHBondContact O-N 3.09Å
330F76Confident70.4Confident13 Ų1369 Ų696%0.05737%0.366CS..Hα-helixtrans-106.8-24.9-169.5-65.9-73.7000114.8Y306 H309 K314 L317 Y326Y306-F330 AromaticContact CD2-CD1 3.68Å; Y306-F330 HydrophobicContact CD2-CD1 3.68Å; Y306-F330 AromaticContact CD2-CE1 3.97Å; Y306-F330 HydrophobicContact CD2-CE1 3.97Å; Y306-F330 AromaticContact CE2-CD1 3.95Å; Y306-F330 HydrophobicContact CE2-CD1 3.95Å; Y306-F330 HydrophobicContact CE2-CE1 4.48Å; H309-F330 HydrophobicContact CB-CZ 4.28Å; K314-F330 HydrophobicContact CG-CE1 4.4Å; L317-F330 HydrophobicContact CD1-CE2 4.44Å; L317-F330 HydrophobicContact CD1-CZ 4.16Å; Y326-F330 AromaticContact CD2-CD2 3.69Å; Y326-F330 HydrophobicContact CD2-CD2 3.69Å; Y326-F330 AromaticContact CD2-CE2 3.97Å; Y326-F330 HydrophobicContact CD2-CE2 3.97Å; Y326-F330 AromaticContact CE2-CD2 3.62Å; Y326-F330 HydrophobicContact CE2-CD2 3.62Å; Y326-F330 AromaticContact CE2-CE2 3.93Å; Y326-F330 HydrophobicContact CE2-CE2 3.93Å; Y326-F330 HydrophobicContact CE2-CG 4.42Å; Y326-F330 HydrophobicContact CG-CD2 4.19Å; Y326-F330 WeakPolarHBondContact O-CD2 3.41Å; Y326-F330 PolarHBondContact O-N 3.35Å
331N72.7Confident69.2Low97 Ų9767 Ų6752%0.51935%0.353SS..THydrogen-bonded Turntrans-115.8-30.7-170.4-63.2-25.7000113.2N327N327-N331 CarbonylContact O-C 3.52Å; N327-N331 WeakPolarHBondContact O-CA 3.05Å; N327-N331 WeakPolarHBondContact O-CB 3.38Å; N327-N331 PolarHBondContact O-N 3.26Å; N327-N331 PolarHBondContact OD1-ND2 3.32Å
332Q68.9Low67.7Low86 Ų8667.4 Ų67.440%0.40236%0.358SS..  trans-90.7116.5177.7-69-178.5-32.200110.2K302 N327K302-Q332 WeakPolarHBondContact CE-O 3.22Å; K302-Q332 PolarHBondContact NZ-O 3.14Å; N327-Q332 PolarHBondContact O-N 3.22Å
333W63.2Low65.7Low61 Ų6171.7 Ų71.723%0.23137%0.37CS..  trans-108.783.1163-60.789000105.8I253 K254 T257 L258 Y306 I335I253-W333 HydrophobicContact CG2-CB 3.91Å; K254-W333 HydrophobicContact CB-CE3 4.29Å; K254-W333 HydrophobicContact CB-CZ3 4.25Å; K254-W333 HydrophobicContact CD-CH2 4.41Å; K254-W333 HydrophobicContact CD-CZ2 4.48Å; K254-W333 HydrophobicContact CG-CE3 4.17Å; K254-W333 HydrophobicContact CG-CH2 3.71Å; K254-W333 HydrophobicContact CG-CZ2 4.17Å; K254-W333 HydrophobicContact CG-CZ3 3.71Å; T257-W333 HydrophobicContact CG2-CE3 4.03Å; T257-W333 HydrophobicContact CG2-CZ3 3.99Å; L258-W333 HydrophobicContact CD1-CH2 4.12Å; L258-W333 HydrophobicContact CD1-CZ3 4.31Å; L258-W333 HydrophobicContact CD2-CH2 4.04Å; L258-W333 HydrophobicContact CD2-CZ3 4.07Å; L258-W333 HydrophobicContact CG-CH2 4.11Å; L258-W333 HydrophobicContact CG-CZ3 3.92Å; Y306-W333 HydrophobicContact CD1-CH2 4.2Å; Y306-W333 HydrophobicContact CD2-CH2 4.44Å; Y306-W333 HydrophobicContact CD2-CZ2 4.39Å; Y306-W333 AromaticContact CE1-CH2 3.8Å; Y306-W333 HydrophobicContact CE1-CH2 3.8Å; Y306-W333 HydrophobicContact CE1-CZ2 4.16Å; Y306-W333 HydrophobicContact CE2-CH2 4.09Å; Y306-W333 AromaticContact CE2-CZ2 3.75Å; Y306-W333 HydrophobicContact CE2-CZ2 3.75Å; Y306-W333 HydrophobicContact CG-CH2 4.5Å; Y306-W333 AromaticContact CZ-CH2 3.75Å; Y306-W333 AromaticContact CZ-CZ2 3.61Å; W333-I335 PolarHBondContact O-N 3.27Å
334E56.6Low64Low112 Ų11267.6 Ų67.652%0.52337%0.369SS..  trans-59.7135.2-174.9-81.2178.5171.400110.9Q336E334-Q336 PolarHBondContact O-N 2.88Å
335I51.8Low62.3Low112 Ų11268.2 Ų68.257%0.57436%0.361SS*.  trans-82.9105-170.6-54.5165.4000107.8I253 W333 N337I253-I335 HydrophobicContact CD1-CG1 4.37Å; W333-I335 PolarHBondContact O-N 3.27Å; I335-N337 HydrophobicContact CG2-CB 4.43Å; I335-N337 WeakPolarHBondContact CG2-OD1 3.43Å; I335-N337 PolarHBondContact O-N 3.08Å
336Q53.3Low60.5Low94 Ų9473.2 Ų73.244%0.43938%0.383SS..  trans-70.8108.8146-73.5177.6-15.800104.8L290 E334 L338L290-Q336 VanDerWaalsContact CD2-CD 3.47Å; L290-Q336 VanDerWaalsContact CD2-OE1 3.26Å; E334-Q336 PolarHBondContact O-N 2.88Å; Q336-L338 HydrophobicContact CB-CD1 4.39Å; Q336-L338 PolarHBondContact O-N 3.03Å
337N50.7Low58.3Low124 Ų12476.7 Ų76.766%0.66342%0.417SS*.  trans-59.386.1-177-85.5-28.1000110.3I335 P339I335-N337 HydrophobicContact CG2-CB 4.43Å; I335-N337 WeakPolarHBondContact CG2-OD1 3.43Å; I335-N337 PolarHBondContact O-N 3.08Å; N337-P339 WeakPolarHBondContact O-CD 3.34Å
338L57.9Low56Low17 Ų1782 Ų829%0.08947%0.468CS..  trans-121.267.4173-97.2135.7000108.6Q283 Q286 L287 L290 Q336 F340Q283-L338 HydrophobicContact CB-CD2 4.28Å; Q286-L338 HydrophobicContact CB-CD1 4.41Å; Q286-L338 HydrophobicContact CB-CD2 3.67Å; Q286-L338 HydrophobicContact CB-CG 4.11Å; L287-L338 HydrophobicContact CD2-CD1 4.34Å; L287-L338 HydrophobicContact CD2-CD2 4.16Å; L287-L338 HydrophobicContact CG-CD2 3.92Å; L290-L338 HydrophobicContact CD1-CD1 3.26Å; L290-L338 HydrophobicContact CG-CD1 4.49Å; Q336-L338 HydrophobicContact CB-CD1 4.39Å; Q336-L338 PolarHBondContact O-N 3.03Å; L338-F340 HydrophobicContact CB-CE2 4.4Å; L338-F340 HydrophobicContact CD2-CE2 4.04Å; L338-F340 HydrophobicContact CD2-CZ 4.45Å; L338-F340 WeakPolarHBondContact O-CD2 3.29Å; L338-F340 PolarHBondContact O-N 3.13Å
339P59.1Low54.9Low81 Ų8185.6 Ų85.653%0.52649%0.489SS..  trans-68.7121.317028.7-31.3000109Q283 N337 V341Q283-P339 PolarHBondContact NE2-O 3.12Å; N337-P339 WeakPolarHBondContact O-CD 3.34Å; P339-V341 HydrophobicContact CB-CG2 4.49Å; P339-V341 PolarHBondContact O-N 3.28Å
340F58.2Low53.6Low8 Ų890 Ų904%0.03551%0.514CS..  trans-87.220.9169.5-77-106.3000112.3L240 T246 L252 L275 F280 Q283 L287 L338L240-F340 HydrophobicContact CD2-CE1 3.84Å; L240-F340 HydrophobicContact CD2-CE2 4.47Å; L240-F340 HydrophobicContact CD2-CZ 3.8Å; T246-F340 HydrophobicContact CG2-CB 4.22Å; T246-F340 HydrophobicContact CG2-CD1 3.81Å; T246-F340 HydrophobicContact CG2-CG 4.3Å; L252-F340 HydrophobicContact CD1-CE2 4.33Å; L252-F340 HydrophobicContact CD2-CD2 3.24Å; L252-F340 HydrophobicContact CD2-CE2 3.28Å; L252-F340 HydrophobicContact CD2-CG 4.36Å; L252-F340 HydrophobicContact CD2-CZ 4.39Å; L252-F340 HydrophobicContact CG-CE2 4.41Å; L275-F340 HydrophobicContact CD2-CE1 3.77Å; L275-F340 HydrophobicContact CD2-CZ 4.32Å; F280-F340 AromaticContact CD1-CD1 3.8Å; F280-F340 HydrophobicContact CD1-CD1 3.8Å; F280-F340 HydrophobicContact CD1-CE1 4.48Å; F280-F340 HydrophobicContact CE1-CB 4.3Å; F280-F340 HydrophobicContact CE1-CD1 4.04Å; Q283-F340 HydrophobicContact CB-CD1 4.12Å; Q283-F340 HydrophobicContact CB-CE1 3.75Å; Q283-F340 HydrophobicContact CB-CE2 4.29Å; Q283-F340 HydrophobicContact CB-CZ 3.84Å; Q283-F340 HydrophobicContact CG-CD1 4.07Å; Q283-F340 HydrophobicContact CG-CD2 4.31Å; Q283-F340 HydrophobicContact CG-CE1 4.2Å; Q283-F340 HydrophobicContact CG-CE2 4.41Å; Q283-F340 HydrophobicContact CG-CG 4.12Å; Q283-F340 HydrophobicContact CG-CZ 4.36Å; L287-F340 HydrophobicContact CD1-CZ 3.73Å; L287-F340 HydrophobicContact CG-CZ 4.38Å; L338-F340 HydrophobicContact CB-CE2 4.4Å; L338-F340 HydrophobicContact CD2-CE2 4.04Å; L338-F340 HydrophobicContact CD2-CZ 4.45Å; L338-F340 WeakPolarHBondContact O-CD2 3.29Å; L338-F340 PolarHBondContact O-N 3.13Å
341V55.4Low52.4Low75 Ų7594.3 Ų94.346%0.45554%0.54SS..  trans-77133.3176.7-174.50000108.6P339 E346P339-V341 HydrophobicContact CB-CG2 4.49Å; P339-V341 PolarHBondContact O-N 3.28Å; V341-E346 HydrophobicContact CG1-CG 4.41Å
342T48.3Very low51.2Low50 Ų5094.1 Ų94.131%0.30754%0.541SS..  trans-77140.3173.548.70000109.5G344 E345T342-G344 PolarHBondContact O-N 3.02Å; T342-E345 PolarHBondContact O-N 3.36Å; T342-E345 VanDerWaalsContact O-N 3.15Å
343E44.2Very low50.1Low174 Ų17494.6 Ų94.681%0.81355%0.549SS*.THydrogen-bonded Turntrans-6010.4179.9-70.8174.9-176.100114.6K282K282-E343 IonicContact NZ-OE1 3.45Å; K282-E343 PolarHBondContact NZ-OE1 2.68Å
344G46.1Very low49.2Very low65 Ų6596.9 Ų96.967%0.6757%0.571SS**THydrogen-bonded Turntrans-124.1-3.4177.600000115.9T342T342-G344 PolarHBondContact O-N 3.02Å
345E46.5Very low48.7Very low103 Ų10395.8 Ų95.848%0.48157%0.574SS.*SBendtrans-99.5-1.7178.2-75-171.3162.600113.4R247 T342 A347R247-E345 IonicContact CZ-OE1 3.39Å; R247-E345 IonicContact NE-OE2 3.08Å; R247-E345 IonicContact NH2-OE1 2.63Å; R247-E345 PolarHBondContact NH2-OE1 3.32Å; R247-E345 IonicContact NH2-OE2 2.74Å; R247-E345 PolarHBondContact NH2-OE2 3.38Å; T342-E345 PolarHBondContact O-N 3.36Å; T342-E345 VanDerWaalsContact O-N 3.15Å; E345-A347 PolarHBondContact O-N 3Å
346E42.9Very low48.4Very low177 Ų17794.5 Ų94.583%0.82757%0.574SS**THydrogen-bonded Turntrans-73.8-1.8172.7-75.3-174.6163.800113.8V341V341-E346 HydrophobicContact CG1-CG 4.41Å
347A34.8Very low48Very low97 Ų9794.6 Ų94.680%0.80259%0.585SS**THydrogen-bonded Turntrans-118.822.1-171.300000115.7E345E345-A347 PolarHBondContact O-N 3Å
348A32.2Very low47.8Very low164 Ų16491.9 Ų91.9100%1.35558%0.578SS**  trans-129.60177.800000113.7

Retrieved 348 of 348 residues in 720.7 ms (Link to these results)

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