A0A061IKS9_CRIGR Loading...

Profilin

Binds to actin and affects the structure of the cytoskeleton. At high concentrations, profilin prevents the polymerization of actin, whereas it enhances it at low concentrations. By binding to PIP2, it inhibits the formation of IP3 and DG.

AlphaFold DB (Q09430), UniProt , Accession A0A061IKS9, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Pfn2, Length 140 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
1M47.2Very low88.6Confident218 Ų21869.1 Ų69.1100%1.07439%0.388SS*.  0125.30-163.2169.1-167.200106.6G3M1-G3 PolarHBondContact O-N 3.26Å
2A62.1Low89.4Confident72 Ų7267.2 Ų67.260%0.59538%0.375SS*.  trans-64122.7170.200000106.7S6A2-S6 WeakPolarHBondContact CB-OG 3.4Å
3G88Confident89.9Confident47 Ų4769.5 Ų69.549%0.48540%0.397SS..  trans-64.3167.6-179.400000111.2M1 Q5 S6M1-G3 PolarHBondContact O-N 3.26Å; G3-Q5 PolarHBondContact O-N 2.61Å; G3-S6 PolarHBondContact O-N 3.38Å; G3-S6 PolarHBondContact O-OG 2.96Å
4W95.6Very high90.2Very high66 Ų6671.3 Ų71.325%0.2541%0.405CS..THydrogen-bonded Turntrans-51.6-25.3179.9-67.5111.3000114.3S6 Y7 I22 W32 A33 V109 L135 F140W4-S6 VanDerWaalsContact C-N 3.27Å; W4-S6 PolarHBondContact O-N 3.15Å; W4-Y7 AromaticContact CE3-CD2 3.65Å; W4-Y7 HydrophobicContact CE3-CD2 3.65Å; W4-Y7 AromaticContact CE3-CE2 3.7Å; W4-Y7 HydrophobicContact CE3-CE2 3.7Å; W4-Y7 HydrophobicContact CZ3-CD2 4.15Å; W4-Y7 AromaticContact CZ3-CE2 3.87Å; W4-Y7 HydrophobicContact CZ3-CE2 3.87Å; W4-Y7 PolarHBondContact O-N 2.91Å; W4-I22 HydrophobicContact CD2-CG2 4.28Å; W4-I22 HydrophobicContact CE3-CG2 3.65Å; W4-I22 HydrophobicContact CZ3-CG2 4.09Å; W4-W32 HydrophobicContact CB-CB 4.15Å; W4-W32 HydrophobicContact CD2-CB 4.37Å; W4-W32 HydrophobicContact CD2-CD2 4.47Å; W4-W32 AromaticContact CD2-CE3 3.6Å; W4-W32 HydrophobicContact CD2-CE3 3.6Å; W4-W32 HydrophobicContact CD2-CZ3 4.29Å; W4-W32 AromaticContact CE2-CE3 3.23Å; W4-W32 AromaticContact CE2-CZ3 3.65Å; W4-W32 AromaticContact CE3-CE3 3.97Å; W4-W32 HydrophobicContact CE3-CE3 3.97Å; W4-W32 HydrophobicContact CE3-CZ3 4.44Å; W4-W32 HydrophobicContact CG-CB 3.83Å; W4-W32 HydrophobicContact CG-CE3 4.24Å; W4-W32 AromaticContact CH2-CE3 3.71Å; W4-W32 HydrophobicContact CH2-CE3 3.71Å; W4-W32 AromaticContact CH2-CZ3 3.37Å; W4-W32 HydrophobicContact CH2-CZ3 3.37Å; W4-W32 HydrophobicContact CZ2-CD2 4.41Å; W4-W32 AromaticContact CZ2-CE3 3.31Å; W4-W32 HydrophobicContact CZ2-CE3 3.31Å; W4-W32 HydrophobicContact CZ2-CH2 4.2Å; W4-W32 AromaticContact CZ2-CZ3 3.16Å; W4-W32 HydrophobicContact CZ2-CZ3 3.16Å; W4-W32 HydrophobicContact CZ3-CE3 4.01Å; W4-W32 HydrophobicContact CZ3-CZ3 4.02Å; W4-W32 AromaticContact NE1-CE3 3.64Å; W4-A33 VanDerWaalsContact C-CB 3.48Å; W4-A33 HydrophobicContact CB-CB 3.62Å; W4-V109 HydrophobicContact CH2-CG2 4.49Å; W4-L135 HydrophobicContact CZ3-CD2 4.08Å; W4-F140 AromaticContact CH2-CD1 3.61Å; W4-F140 HydrophobicContact CH2-CD1 3.61Å; W4-F140 HydrophobicContact CH2-CD2 4.3Å; W4-F140 AromaticContact CH2-CE1 3.59Å; W4-F140 HydrophobicContact CH2-CE1 3.59Å; W4-F140 HydrophobicContact CH2-CE2 4.29Å; W4-F140 AromaticContact CH2-CG 3.96Å; W4-F140 HydrophobicContact CH2-CG 3.96Å; W4-F140 AromaticContact CH2-CZ 3.94Å; W4-F140 HydrophobicContact CH2-CZ 3.94Å; W4-F140 HydrophobicContact CZ2-CD1 4.16Å; W4-F140 AromaticContact CZ2-CE1 3.86Å; W4-F140 HydrophobicContact CZ2-CE1 3.86Å; W4-F140 HydrophobicContact CZ2-CZ 4.37Å
5Q96.8Very high90.5Very high78 Ų7868.7 Ų68.736%0.36440%0.4SS..Hα-helixtrans-56.8-34.3175.1-169.157.744.100113.6G3 Y7 V8 D9 A33G3-Q5 PolarHBondContact O-N 2.61Å; Q5-Y7 PolarHBondContact O-N 3.4Å; Q5-V8 WeakPolarHBondContact O-CA 3.41Å; Q5-V8 WeakPolarHBondContact O-CB 3.31Å; Q5-V8 PolarHBondContact O-N 2.99Å; Q5-D9 PolarHBondContact NE2-OD1 3.29Å; Q5-D9 VanDerWaalsContact O-CG 3.23Å; Q5-D9 PolarHBondContact O-N 2.97Å; Q5-A33 HydrophobicContact CB-CB 4.49Å
6S96.8Very high90.8Very high46 Ų4666.5 Ų66.532%0.32239%0.389SS..Hα-helixtrans-64.1-27.3179.8610000113A2 G3 W4 N10A2-S6 WeakPolarHBondContact CB-OG 3.4Å; G3-S6 PolarHBondContact O-N 3.38Å; G3-S6 PolarHBondContact O-OG 2.96Å; W4-S6 VanDerWaalsContact C-N 3.27Å; W4-S6 PolarHBondContact O-N 3.15Å; S6-N10 WeakPolarHBondContact O-CB 3.36Å; S6-N10 PolarHBondContact O-N 2.96Å
7Y97.7Very high91.3Very high44 Ų4462.7 Ų62.717%0.17337%0.367CS..Hα-helixtrans-72.8-38.7173.5-61.5-71.4000111.5W4 Q5 N10 L11 M131 Y134 L135W4-Y7 AromaticContact CE3-CD2 3.65Å; W4-Y7 HydrophobicContact CE3-CD2 3.65Å; W4-Y7 AromaticContact CE3-CE2 3.7Å; W4-Y7 HydrophobicContact CE3-CE2 3.7Å; W4-Y7 HydrophobicContact CZ3-CD2 4.15Å; W4-Y7 AromaticContact CZ3-CE2 3.87Å; W4-Y7 HydrophobicContact CZ3-CE2 3.87Å; W4-Y7 PolarHBondContact O-N 2.91Å; Q5-Y7 PolarHBondContact O-N 3.4Å; Y7-N10 PolarHBondContact O-N 3Å; Y7-L11 VanDerWaalsContact O-CG 3.25Å; Y7-L11 WeakPolarHBondContact O-CG 3.44Å; Y7-L11 PolarHBondContact O-N 3.29Å; Y7-M131 HydrophobicContact CD1-CE 4.13Å; Y7-M131 HydrophobicContact CD1-SD 3.65Å; Y7-M131 HydrophobicContact CE1-SD 4.45Å; Y7-M131 HydrophobicContact CG-SD 4.39Å; Y7-Y134 HydrophobicContact CE1-CD1 4.18Å; Y7-Y134 AromaticContact CE1-CE1 3.69Å; Y7-Y134 HydrophobicContact CE1-CE1 3.69Å; Y7-L135 HydrophobicContact CD1-CD2 4.24Å; Y7-L135 HydrophobicContact CE1-CD2 3.87Å; Y7-L135 HydrophobicContact CE2-CD2 4.25Å
8V98.2Very high91.6Very high1 Ų162.8 Ų62.81%0.00636%0.363CS..Hα-helixtrans-61.4-48.7172.41770000109.6Q5 N10 L11 M12 A20 I22 A33Q5-V8 WeakPolarHBondContact O-CA 3.41Å; Q5-V8 WeakPolarHBondContact O-CB 3.31Å; Q5-V8 PolarHBondContact O-N 2.99Å; V8-N10 VanDerWaalsContact C-N 3.28Å; V8-N10 PolarHBondContact O-N 3.03Å; V8-L11 PolarHBondContact O-N 2.9Å; V8-L11 VanDerWaalsContact O-N 3.09Å; V8-M12 HydrophobicContact CG1-CG 4.35Å; V8-M12 WeakPolarHBondContact O-CB 3.43Å; V8-M12 WeakPolarHBondContact O-CG 3.48Å; V8-M12 PolarHBondContact O-N 2.58Å; V8-A20 HydrophobicContact CG1-CB 4.19Å; V8-I22 HydrophobicContact CG2-CG1 3.99Å; V8-A33 HydrophobicContact CG2-CB 3.71Å
9D97.2Very high92Very high90 Ų9060.1 Ų60.148%0.48135%0.347SS..Hα-helixtrans-60.5-39.4179.6-58.6-17.7000111.5Q5 M12 C13Q5-D9 PolarHBondContact NE2-OD1 3.29Å; Q5-D9 VanDerWaalsContact O-CG 3.23Å; Q5-D9 PolarHBondContact O-N 2.97Å; D9-M12 PolarHBondContact O-N 3.42Å; D9-C13 PolarHBondContact O-N 2.96Å; D9-C13 VanDerWaalsContact O-N 3.11Å
10N97.1Very high92.3Very high95 Ų9557.1 Ų57.151%0.50833%0.329SS..Hα-helixtrans-64.4-41.3174.2-178.7-97.4000112.9S6 Y7 V8 M12 C13 M131S6-N10 WeakPolarHBondContact O-CB 3.36Å; S6-N10 PolarHBondContact O-N 2.96Å; Y7-N10 PolarHBondContact O-N 3Å; V8-N10 VanDerWaalsContact C-N 3.28Å; V8-N10 PolarHBondContact O-N 3.03Å; N10-M12 PolarHBondContact O-N 2.98Å; N10-C13 PolarHBondContact O-N 3.34Å; N10-C13 PolarHBondContact O-SG 2.87Å; N10-M131 HydrophobicContact CB-CE 4.2Å; N10-M131 WeakPolarHBondContact OD1-CE 3.24Å
11L98.1Very high92.6Very high3 Ų354.3 Ų54.32%0.01631%0.314CS..Hα-helixtrans-64.1-33.9176.9-70.4165000111.7Y7 V8 A20 I22 V111 V113 K127 M131Y7-L11 VanDerWaalsContact O-CG 3.25Å; Y7-L11 WeakPolarHBondContact O-CG 3.44Å; Y7-L11 PolarHBondContact O-N 3.29Å; V8-L11 PolarHBondContact O-N 2.9Å; V8-L11 VanDerWaalsContact O-N 3.09Å; L11-A20 HydrophobicContact CB-CB 3.8Å; L11-A20 HydrophobicContact CD1-CB 3.92Å; L11-I22 HydrophobicContact CD1-CD1 4.24Å; L11-V111 HydrophobicContact CD1-CG1 3.63Å; L11-V111 HydrophobicContact CD2-CG1 4.31Å; L11-V113 HydrophobicContact CB-CG1 4.16Å; L11-V113 HydrophobicContact CD1-CG1 4.04Å; L11-V113 HydrophobicContact CD2-CG1 3.86Å; L11-V113 HydrophobicContact CG-CG1 4.24Å; L11-K127 HydrophobicContact CD2-CD 3.96Å; L11-K127 HydrophobicContact CD2-CG 3.6Å; L11-K127 PolarHBondContact O-NZ 2.76Å; L11-M131 HydrophobicContact CD1-CG 4.3Å; L11-M131 HydrophobicContact CD2-CB 3.82Å; L11-M131 HydrophobicContact CD2-CE 4.06Å; L11-M131 HydrophobicContact CD2-CG 4.06Å; L11-M131 HydrophobicContact CG-CE 3.98Å; L11-M131 HydrophobicContact CG-CG 4.39Å
12M97.6Very high95.1Very high46 Ų4644 Ų4423%0.22726%0.263CS..Hα-helixtrans-83.4-14.6-176.9-66-60.1-65.900114.5V8 D9 N10 D14 G15 C17 Q18 A20V8-M12 HydrophobicContact CG1-CG 4.35Å; V8-M12 WeakPolarHBondContact O-CB 3.43Å; V8-M12 WeakPolarHBondContact O-CG 3.48Å; V8-M12 PolarHBondContact O-N 2.58Å; D9-M12 PolarHBondContact O-N 3.42Å; N10-M12 PolarHBondContact O-N 2.98Å; M12-D14 VanDerWaalsContact C-N 3.34Å; M12-D14 PolarHBondContact O-N 2.89Å; M12-G15 PolarHBondContact O-N 2.72Å; M12-G15 VanDerWaalsContact O-N 3.11Å; M12-C17 HydrophobicContact CE-CB 4.27Å; M12-C17 VanDerWaalsContact CE-O 3.3Å; M12-C17 WeakPolarHBondContact CE-O 3.32Å; M12-C17 HydrophobicContact SD-CB 3.45Å; M12-C17 WeakPolarHBondContact SD-CB 3.39Å; M12-Q18 WeakPolarHBondContact CE-O 3.24Å; M12-A20 HydrophobicContact CG-CB 4.17Å; M12-A20 HydrophobicContact SD-CB 3.92Å
13C96.4Very high96.8Very high98 Ų9840.5 Ų40.566%0.66223%0.234SC*.THydrogen-bonded Turntrans-66.1-26.8-163.974.20000115.7D9 N10 G15D9-C13 PolarHBondContact O-N 2.96Å; D9-C13 VanDerWaalsContact O-N 3.11Å; N10-C13 PolarHBondContact O-N 3.34Å; N10-C13 PolarHBondContact O-SG 2.87Å; C13-G15 VanDerWaalsContact C-N 3.26Å; C13-G15 PolarHBondContact O-N 2.75Å
14D94.3Very high97.3Very high94 Ų9438.3 Ų38.350%0.50321%0.211SC..THydrogen-bonded Turntrans-84.1-2.3179.766.65000113.2M12 C16 K127M12-D14 VanDerWaalsContact C-N 3.34Å; M12-D14 PolarHBondContact O-N 2.89Å; D14-C16 VanDerWaalsContact CG-SG 3.54Å; D14-C16 PolarHBondContact O-N 2.72Å; D14-C16 PolarHBondContact OD1-N 2.83Å; D14-C16 PolarHBondContact OD1-SG 2.96Å; D14-C16 PolarHBondContact OD2-SG 2.92Å; D14-C16 VanDerWaalsContact OD2-SG 3.38Å; D14-K127 IonicContact OD1-NZ 2.92Å; D14-K127 PolarHBondContact OD1-NZ 3.11Å; D14-K127 VanDerWaalsContact OD2-CE 3.25Å; D14-K127 WeakPolarHBondContact OD2-CE 3.09Å; D14-K127 IonicContact OD2-NZ 2.94Å; D14-K127 PolarHBondContact OD2-NZ 2.97Å
15G94.5Very high97.3Very high32 Ų3236.2 Ų36.233%0.3320%0.204SC..SBendtrans69.48.3178.500000115M12 C13 K116M12-G15 PolarHBondContact O-N 2.72Å; M12-G15 VanDerWaalsContact O-N 3.11Å; C13-G15 VanDerWaalsContact C-N 3.26Å; C13-G15 PolarHBondContact O-N 2.75Å; G15-K116 VanDerWaalsContact O-CD 3.27Å; G15-K116 WeakPolarHBondContact O-CD 3.19Å; G15-K116 WeakPolarHBondContact O-CE 3.23Å; G15-K116 PolarHBondContact O-NZ 2.84Å
16C96Very high97.2Very high34 Ų3434.9 Ų34.923%0.2320%0.202CC..  trans-81.7-28.6175.278.70000112.3D14 G115 K116 V119 K127D14-C16 VanDerWaalsContact CG-SG 3.54Å; D14-C16 PolarHBondContact O-N 2.72Å; D14-C16 PolarHBondContact OD1-N 2.83Å; D14-C16 PolarHBondContact OD1-SG 2.96Å; D14-C16 PolarHBondContact OD2-SG 2.92Å; D14-C16 VanDerWaalsContact OD2-SG 3.38Å; C16-G115 WeakPolarHBondContact O-CA 3.39Å; C16-K116 PolarHBondContact O-N 3.46Å; C16-V119 HydrophobicContact CB-CG1 4.41Å; C16-V119 WeakPolarHBondContact O-CG2 3.37Å; C16-K127 WeakPolarHBondContact SG-CE 3.27Å
17C98Very high96.8Very high2 Ų239.7 Ų39.71%0.01422%0.224CC..EExtended strand (participates in β ladder)trans-86.2145176.9-60.80000110.4M12 M114M12-C17 HydrophobicContact CE-CB 4.27Å; M12-C17 VanDerWaalsContact CE-O 3.3Å; M12-C17 WeakPolarHBondContact CE-O 3.32Å; M12-C17 HydrophobicContact SD-CB 3.45Å; M12-C17 WeakPolarHBondContact SD-CB 3.39Å; C17-M114 CarbonylContact C-O 2.98Å; C17-M114 VanDerWaalsContact CA-O 3.22Å; C17-M114 WeakPolarHBondContact CA-O 3.46Å
18Q97.7Very high96.6Very high65 Ų6539.3 Ų39.330%0.30423%0.23SC..EExtended strand (participates in β ladder)trans-98.2-23.2165.271.3-178.4-6300111.8M12 M114 G115 K116M12-Q18 WeakPolarHBondContact CE-O 3.24Å; Q18-M114 HydrophobicContact CG-CB 4.16Å; Q18-M114 HydrophobicContact CG-CG 3.96Å; Q18-M114 HydrophobicContact CG-SD 4.04Å; Q18-M114 PolarHBondContact N-O 2.84Å; Q18-G115 PolarHBondContact NE2-O 2.79Å; Q18-K116 HydrophobicContact CB-CG 3.87Å
19E98.2Very high96.4Very high10 Ų1042 Ų425%0.04724%0.242CC..EExtended strand (participates in β ladder)trans-152145.6179-177.3165.8-16600111.1G38 V39 F40 V113 M114E19-G38 WeakPolarHBondContact OE1-CA 3.26Å; E19-V39 PolarHBondContact OE1-N 3.32Å; E19-V39 PolarHBondContact OE2-N 3.09Å; E19-F40 HydrophobicContact CB-CD2 4.34Å; E19-F40 HydrophobicContact CB-CE2 4.38Å; E19-F40 HydrophobicContact CG-CB 4.23Å; E19-F40 HydrophobicContact CG-CD2 3.52Å; E19-F40 HydrophobicContact CG-CE2 4.03Å; E19-F40 HydrophobicContact CG-CG 3.95Å; E19-F40 WeakPolarHBondContact OE1-CA 3.39Å; E19-F40 VanDerWaalsContact OE1-CB 3.25Å; E19-F40 WeakPolarHBondContact OE1-CB 3.31Å; E19-F40 PolarHBondContact OE1-N 2.96Å; E19-V113 WeakPolarHBondContact O-CA 3.38Å; E19-M114 HydrophobicContact CB-CB 4.16Å; E19-M114 PolarHBondContact N-O 3.49Å; E19-M114 PolarHBondContact O-N 3.2Å
20A98.7Very high96.5Very high0 Ų044.2 Ų44.20%025%0.245CC..EExtended strand (participates in β ladder)trans-142.4156.5170.400000110.9V8 L11 M12 A34 T35 F112 V113V8-A20 HydrophobicContact CG1-CB 4.19Å; L11-A20 HydrophobicContact CB-CB 3.8Å; L11-A20 HydrophobicContact CD1-CB 3.92Å; M12-A20 HydrophobicContact CG-CB 4.17Å; M12-A20 HydrophobicContact SD-CB 3.92Å; A20-A34 CarbonylContact O-C 3.54Å; A20-A34 VanDerWaalsContact O-CA 3.31Å; A20-A34 WeakPolarHBondContact O-CA 3.49Å; A20-T35 PolarHBondContact N-OG1 3.01Å; A20-T35 PolarHBondContact O-N 3.17Å; A20-T35 PolarHBondContact O-OG1 3Å; A20-F112 CarbonylContact C-O 3.56Å; A20-F112 WeakPolarHBondContact CA-O 3.45Å; A20-F112 WeakPolarHBondContact CB-O 3.18Å; A20-V113 HydrophobicContact CB-CG1 4.1Å
21A98.8Very high96.5Very high0 Ų041.1 Ų41.10%023%0.229CC..EExtended strand (participates in β ladder)trans-149.8151.6175.200000112.8V23 A33 A34 F40 F112A21-V23 HydrophobicContact CB-CG2 4.11Å; A21-A33 CarbonylContact C-O 3.54Å; A21-A33 VanDerWaalsContact CA-O 3.26Å; A21-A33 WeakPolarHBondContact CA-O 3.4Å; A21-A33 WeakPolarHBondContact CB-O 3.43Å; A21-A34 HydrophobicContact CB-CB 3.73Å; A21-F40 HydrophobicContact CB-CB 3.58Å; A21-F40 HydrophobicContact CB-CD2 3.98Å; A21-F40 HydrophobicContact CB-CG 4.21Å; A21-F112 HydrophobicContact CB-CB 4.26Å; A21-F112 PolarHBondContact N-O 2.81Å; A21-F112 PolarHBondContact O-N 3.23Å
22I98.5Very high96.5Very high0 Ų043.3 Ų43.30%024%0.237CC..EExtended strand (participates in β ladder)trans-112.7120.6170.2-54.7-58.6000107.4W4 V8 L11 W32 A33 V109 V111 L135W4-I22 HydrophobicContact CD2-CG2 4.28Å; W4-I22 HydrophobicContact CE3-CG2 3.65Å; W4-I22 HydrophobicContact CZ3-CG2 4.09Å; V8-I22 HydrophobicContact CG2-CG1 3.99Å; L11-I22 HydrophobicContact CD1-CD1 4.24Å; I22-W32 HydrophobicContact CG2-CE3 4.06Å; I22-W32 PolarHBondContact O-N 3.03Å; I22-A33 PolarHBondContact N-O 3.2Å; I22-A33 PolarHBondContact O-N 2.88Å; I22-V109 HydrophobicContact CG2-CG1 3.4Å; I22-V111 HydrophobicContact CD1-CG1 4.35Å; I22-V111 HydrophobicContact CD1-CG2 4.14Å; I22-L135 HydrophobicContact CD1-CD1 4.47Å
23V98.7Very high96.5Very high0 Ų041.7 Ų41.70%023%0.231CC..EExtended strand (participates in β ladder)trans-129.8124.4-170.3-177.50000109.4A21 V31 I48 V109 L110 F112A21-V23 HydrophobicContact CB-CG2 4.11Å; V23-V31 HydrophobicContact CG2-CG1 4.45Å; V23-V31 HydrophobicContact CG2-CG2 4.17Å; V23-I48 HydrophobicContact CG1-CD1 3.31Å; V23-I48 HydrophobicContact CG1-CG1 3.7Å; V23-V109 CarbonylContact O-C 3.46Å; V23-V109 WeakPolarHBondContact O-CA 3.24Å; V23-L110 HydrophobicContact CB-CB 4.39Å; V23-L110 PolarHBondContact N-O 2.96Å; V23-L110 PolarHBondContact O-N 3.4Å; V23-F112 HydrophobicContact CB-CD2 4.23Å; V23-F112 HydrophobicContact CB-CE2 3.86Å; V23-F112 HydrophobicContact CG1-CE2 4.45Å; V23-F112 HydrophobicContact CG2-CD2 3.68Å; V23-F112 HydrophobicContact CG2-CE2 3.67Å
24G98.1Very high96.6Very high0 Ų037.6 Ų37.60%020%0.204CC..EExtended strand (participates in β ladder)trans-74.2141.3170.600000110.6A28 K29 Y30 W32 R108G24-A28 WeakPolarHBondContact CA-O 3.41Å; G24-K29 VanDerWaalsContact O-CA 3.32Å; G24-K29 WeakPolarHBondContact O-CA 3.44Å; G24-Y30 PolarHBondContact N-O 2.92Å; G24-Y30 PolarHBondContact O-N 3.42Å; G24-W32 VanDerWaalsContact CA-CE2 3.5Å; G24-W32 VanDerWaalsContact CA-CZ2 3.48Å; G24-R108 WeakPolarHBondContact CA-O 3.49Å
25Y96.8Very high96.8Very high23 Ų2334.8 Ų34.89%0.0919%0.19CC..  trans-124.5-4.4178.973.8-93000115.2V52 R105 A106 G107 R108 V109 L110Y25-V52 HydrophobicContact CD2-CB 4.32Å; Y25-V52 HydrophobicContact CD2-CG1 3.72Å; Y25-V52 HydrophobicContact CD2-CG2 4.46Å; Y25-V52 HydrophobicContact CE2-CG1 4.35Å; Y25-V52 HydrophobicContact CG-CG1 3.91Å; Y25-R105 HydrophobicContact CE1-CG 4.02Å; Y25-R105 WeakPolarHBondContact OH-CG 3.48Å; Y25-R105 PolarHBondContact OH-NH1 3.36Å; Y25-A106 PolarHBondContact OH-O 3.22Å; Y25-G107 PolarHBondContact OH-O 3.47Å; Y25-R108 VanDerWaalsContact CD1-O 3.24Å; Y25-R108 WeakPolarHBondContact CD1-O 3.41Å; Y25-R108 PolarHBondContact N-O 2.96Å; Y25-V109 WeakPolarHBondContact CE1-O 3.46Å; Y25-L110 HydrophobicContact CD1-CD1 4.5Å; Y25-L110 HydrophobicContact CD1-CD2 4.05Å; Y25-L110 HydrophobicContact CD1-CG 3.67Å; Y25-L110 HydrophobicContact CE1-CD2 4.23Å; Y25-L110 HydrophobicContact CE1-CG 4.32Å; Y25-L110 HydrophobicContact CG-CG 4.16Å
26C93.8Very high96.9Very high49 Ų4937.7 Ų37.733%0.33121%0.211SC..SBendtrans-97.3-116.9174.7-60.60000111R108C26-R108 HydrophobicContact CB-CB 4.2Å; C26-R108 HydrophobicContact CB-CG 4.28Å
27D88.6Confident96.8Very high147 Ų14739.2 Ų39.279%0.78623%0.233SC*.SBendtrans-69.6-38.7-173.8-50.2-50.2000112.7K29 R108D27-K29 PolarHBondContact O-N 3.23Å; D27-R108 IonicContact OD2-NH1 3.94Å
28A92.4Very high96.7Very high37 Ų3740.2 Ų40.231%0.30624%0.243SC..SBendtrans-98.161.917800000110.6G24 Y30 W32G24-A28 WeakPolarHBondContact CA-O 3.41Å; A28-Y30 HydrophobicContact CB-CD1 4.29Å; A28-Y30 HydrophobicContact CB-CE1 3.69Å; A28-Y30 WeakPolarHBondContact O-CD1 3.24Å; A28-Y30 PolarHBondContact O-N 3.42Å; A28-W32 HydrophobicContact CB-CZ2 3.84Å; A28-W32 PolarHBondContact O-NE1 2.89Å
29K95.7Very high96.7Very high57 Ų5739.2 Ų39.225%0.24824%0.242CC..  trans-7677.4-173.9-166.9-177.2-53.8176.40113.4G24 D27 P45 I48 D49G24-K29 VanDerWaalsContact O-CA 3.32Å; G24-K29 WeakPolarHBondContact O-CA 3.44Å; D27-K29 PolarHBondContact O-N 3.23Å; K29-P45 HydrophobicContact CD-CB 4.15Å; K29-P45 HydrophobicContact CG-CB 4.37Å; K29-I48 HydrophobicContact CD-CB 4.2Å; K29-I48 HydrophobicContact CD-CG2 4.05Å; K29-I48 HydrophobicContact CG-CB 4.03Å; K29-I48 HydrophobicContact CG-CD1 3.89Å; K29-I48 HydrophobicContact CG-CG2 3.74Å; K29-D49 IonicContact NZ-OD1 2.58Å; K29-D49 PolarHBondContact NZ-OD1 2.77Å; K29-D49 IonicContact NZ-OD2 2.87Å; K29-D49 PolarHBondContact NZ-OD2 2.67Å
30Y97.6Very high96.7Very high137 Ų13738.8 Ų38.854%0.53724%0.239SC..SBendtrans-161173.1175.964.2-83.8000110.5G24 A28 W32G24-Y30 PolarHBondContact N-O 2.92Å; G24-Y30 PolarHBondContact O-N 3.42Å; A28-Y30 HydrophobicContact CB-CD1 4.29Å; A28-Y30 HydrophobicContact CB-CE1 3.69Å; A28-Y30 WeakPolarHBondContact O-CD1 3.24Å; A28-Y30 PolarHBondContact O-N 3.42Å; Y30-W32 AromaticContact CD2-CD1 3.76Å; Y30-W32 AromaticContact CE1-CD1 3.97Å; Y30-W32 AromaticContact CE1-NE1 3.76Å; Y30-W32 AromaticContact CE2-CD1 3.43Å; Y30-W32 VanDerWaalsContact CE2-CD1 3.43Å; Y30-W32 HydrophobicContact CE2-CG 4.45Å; Y30-W32 AromaticContact CZ-CD1 3.54Å; Y30-W32 AromaticContact CZ-NE1 3.73Å; Y30-W32 VanDerWaalsContact O-CD1 3.24Å; Y30-W32 PolarHBondContact O-N 3.3Å
31V98.3Very high96.7Very high29 Ų2943.2 Ų43.218%0.17626%0.26CS..EExtended strand (participates in β ladder)trans-73.6114176.1-177.10000110V23 A34 F40 I43V23-V31 HydrophobicContact CG2-CG1 4.45Å; V23-V31 HydrophobicContact CG2-CG2 4.17Å; V31-A34 HydrophobicContact CG1-CB 3.75Å; V31-F40 WeakPolarHBondContact CG2-O 3.46Å; V31-I43 HydrophobicContact CG2-CB 4.03Å
32W97.6Very high96.6Very high50 Ų5046.2 Ų46.219%0.18928%0.281CS..EExtended strand (participates in β ladder)trans-83.5-32.5-179.2-63.5-6.3000112.7W4 I22 G24 A28 Y30 V109W4-W32 HydrophobicContact CB-CB 4.15Å; W4-W32 HydrophobicContact CD2-CB 4.37Å; W4-W32 HydrophobicContact CD2-CD2 4.47Å; W4-W32 AromaticContact CD2-CE3 3.6Å; W4-W32 HydrophobicContact CD2-CE3 3.6Å; W4-W32 HydrophobicContact CD2-CZ3 4.29Å; W4-W32 AromaticContact CE2-CE3 3.23Å; W4-W32 AromaticContact CE2-CZ3 3.65Å; W4-W32 AromaticContact CE3-CE3 3.97Å; W4-W32 HydrophobicContact CE3-CE3 3.97Å; W4-W32 HydrophobicContact CE3-CZ3 4.44Å; W4-W32 HydrophobicContact CG-CB 3.83Å; W4-W32 HydrophobicContact CG-CE3 4.24Å; W4-W32 AromaticContact CH2-CE3 3.71Å; W4-W32 HydrophobicContact CH2-CE3 3.71Å; W4-W32 AromaticContact CH2-CZ3 3.37Å; W4-W32 HydrophobicContact CH2-CZ3 3.37Å; W4-W32 HydrophobicContact CZ2-CD2 4.41Å; W4-W32 AromaticContact CZ2-CE3 3.31Å; W4-W32 HydrophobicContact CZ2-CE3 3.31Å; W4-W32 HydrophobicContact CZ2-CH2 4.2Å; W4-W32 AromaticContact CZ2-CZ3 3.16Å; W4-W32 HydrophobicContact CZ2-CZ3 3.16Å; W4-W32 HydrophobicContact CZ3-CE3 4.01Å; W4-W32 HydrophobicContact CZ3-CZ3 4.02Å; W4-W32 AromaticContact NE1-CE3 3.64Å; I22-W32 HydrophobicContact CG2-CE3 4.06Å; I22-W32 PolarHBondContact O-N 3.03Å; G24-W32 VanDerWaalsContact CA-CE2 3.5Å; G24-W32 VanDerWaalsContact CA-CZ2 3.48Å; A28-W32 HydrophobicContact CB-CZ2 3.84Å; A28-W32 PolarHBondContact O-NE1 2.89Å; Y30-W32 AromaticContact CD2-CD1 3.76Å; Y30-W32 AromaticContact CE1-CD1 3.97Å; Y30-W32 AromaticContact CE1-NE1 3.76Å; Y30-W32 AromaticContact CE2-CD1 3.43Å; Y30-W32 VanDerWaalsContact CE2-CD1 3.43Å; Y30-W32 HydrophobicContact CE2-CG 4.45Å; Y30-W32 AromaticContact CZ-CD1 3.54Å; Y30-W32 AromaticContact CZ-NE1 3.73Å; Y30-W32 VanDerWaalsContact O-CD1 3.24Å; Y30-W32 PolarHBondContact O-N 3.3Å; W32-V109 HydrophobicContact CE3-CG2 4.23Å; W32-V109 HydrophobicContact CH2-CG2 3.7Å; W32-V109 HydrophobicContact CZ3-CB 4.45Å; W32-V109 HydrophobicContact CZ3-CG1 4.43Å; W32-V109 HydrophobicContact CZ3-CG2 3.32Å
33A98.4Very high96.6Very high11 Ų1146.7 Ų46.79%0.09128%0.284CS..EExtended strand (participates in β ladder)trans-157.9148.5170.100000109.7W4 Q5 V8 A21 I22W4-A33 VanDerWaalsContact C-CB 3.48Å; W4-A33 HydrophobicContact CB-CB 3.62Å; Q5-A33 HydrophobicContact CB-CB 4.49Å; V8-A33 HydrophobicContact CG2-CB 3.71Å; A21-A33 CarbonylContact C-O 3.54Å; A21-A33 VanDerWaalsContact CA-O 3.26Å; A21-A33 WeakPolarHBondContact CA-O 3.4Å; A21-A33 WeakPolarHBondContact CB-O 3.43Å; I22-A33 PolarHBondContact N-O 3.2Å; I22-A33 PolarHBondContact O-N 2.88Å
34A98.5Very high96.6Very high13 Ų1349.6 Ų49.611%0.10730%0.301CS..EExtended strand (participates in β ladder)trans-154.4163.417500000110.4A20 A21 V31 A36 Q41A20-A34 CarbonylContact O-C 3.54Å; A20-A34 VanDerWaalsContact O-CA 3.31Å; A20-A34 WeakPolarHBondContact O-CA 3.49Å; A21-A34 HydrophobicContact CB-CB 3.73Å; V31-A34 HydrophobicContact CG1-CB 3.75Å; A34-A36 PolarHBondContact O-N 3.32Å; A34-Q41 HydrophobicContact CB-CB 4Å
35T98.3Very high96.6Very high34 Ų3452.8 Ų52.821%0.20932%0.322CS..  trans-59.6125.8167.6-50.10000109.7A20 G37 G38A20-T35 PolarHBondContact N-OG1 3.01Å; A20-T35 PolarHBondContact O-N 3.17Å; A20-T35 PolarHBondContact O-OG1 3Å; T35-G37 PolarHBondContact O-N 3.19Å; T35-G38 PolarHBondContact O-N 2.89Å
36A95.6Very high96.6Very high93 Ų9356.2 Ų56.277%0.76935%0.346SS*.THydrogen-bonded Turntrans-61.5135.7-177.100000111.7A34 G38A34-A36 PolarHBondContact O-N 3.32Å; A36-G38 PolarHBondContact O-N 3.38Å
37G95.1Very high96.8Very high67 Ų6754.3 Ų54.369%0.69133%0.332SS*.THydrogen-bonded Turntrans78.5-0.7178.700000115T35 Q41T35-G37 PolarHBondContact O-N 3.19Å; G37-Q41 VanDerWaalsContact CA-NE2 3.33Å
38G95.7Very high97.3Very high22 Ų2247.3 Ų47.323%0.22729%0.294CS..SBendtrans-81.2-171.8-178.200000114.7E19 T35 A36 Q41E19-G38 WeakPolarHBondContact OE1-CA 3.26Å; T35-G38 PolarHBondContact O-N 2.89Å; A36-G38 PolarHBondContact O-N 3.38Å; G38-Q41 WeakPolarHBondContact O-CG 3.48Å; G38-Q41 PolarHBondContact O-NE2 2.95Å
39V97.2Very high97.4Very high45 Ų4549.1 Ų49.127%0.27330%0.299SS..SBendtrans-80.3-39.9177.1174.60000111.4E19 Q41 S42 L66 K69E19-V39 PolarHBondContact OE1-N 3.32Å; E19-V39 PolarHBondContact OE2-N 3.09Å; V39-Q41 VanDerWaalsContact C-N 3.31Å; V39-Q41 PolarHBondContact O-N 3.36Å; V39-S42 WeakPolarHBondContact O-CB 3.22Å; V39-S42 PolarHBondContact O-N 3.26Å; V39-L66 WeakPolarHBondContact CG1-O 3.31Å; V39-K69 HydrophobicContact CG1-CB 3.83Å
40F98.6Very high97.4Very high0 Ų050.3 Ų50.30%031%0.306CS..G310 helixtrans-68.6-26.6-174-61.9-17.2000113.4E19 A21 V31 S42 I43 L66 V101 F112 M114E19-F40 HydrophobicContact CB-CD2 4.34Å; E19-F40 HydrophobicContact CB-CE2 4.38Å; E19-F40 HydrophobicContact CG-CB 4.23Å; E19-F40 HydrophobicContact CG-CD2 3.52Å; E19-F40 HydrophobicContact CG-CE2 4.03Å; E19-F40 HydrophobicContact CG-CG 3.95Å; E19-F40 WeakPolarHBondContact OE1-CA 3.39Å; E19-F40 VanDerWaalsContact OE1-CB 3.25Å; E19-F40 WeakPolarHBondContact OE1-CB 3.31Å; E19-F40 PolarHBondContact OE1-N 2.96Å; A21-F40 HydrophobicContact CB-CB 3.58Å; A21-F40 HydrophobicContact CB-CD2 3.98Å; A21-F40 HydrophobicContact CB-CG 4.21Å; V31-F40 WeakPolarHBondContact CG2-O 3.46Å; F40-S42 PolarHBondContact O-N 3Å; F40-I43 HydrophobicContact CB-CD1 3.87Å; F40-I43 HydrophobicContact CD1-CD1 3.83Å; F40-I43 HydrophobicContact CG-CD1 4.07Å; F40-I43 WeakPolarHBondContact O-CB 3.33Å; F40-I43 WeakPolarHBondContact O-CG1 3.39Å; F40-I43 PolarHBondContact O-N 3.03Å; F40-I43 VanDerWaalsContact O-N 3.16Å; F40-L66 HydrophobicContact CD1-CB 4.47Å; F40-L66 HydrophobicContact CD1-CD1 4.47Å; F40-L66 HydrophobicContact CE1-CB 4.42Å; F40-L66 HydrophobicContact CE1-CD1 3.74Å; F40-V101 HydrophobicContact CE1-CG1 4.34Å; F40-V101 HydrophobicContact CE1-CG2 4.49Å; F40-V101 HydrophobicContact CZ-CG1 3.77Å; F40-V101 HydrophobicContact CZ-CG2 4.08Å; F40-F112 HydrophobicContact CD2-CB 3.67Å; F40-F112 HydrophobicContact CE2-CB 3.58Å; F40-F112 HydrophobicContact CG-CB 4.31Å; F40-F112 HydrophobicContact CZ-CB 4.11Å; F40-M114 HydrophobicContact CD1-CE 4.47Å; F40-M114 HydrophobicContact CE1-CE 3.62Å; F40-M114 HydrophobicContact CE2-CB 3.97Å; F40-M114 HydrophobicContact CZ-CB 3.74Å; F40-M114 HydrophobicContact CZ-CE 3.73Å
41Q97.6Very high97.3Very high94 Ų9443.8 Ų43.844%0.43928%0.281SS..G310 helixtrans-60.1-23170.969178.64.800112.7A34 G37 G38 V39A34-Q41 HydrophobicContact CB-CB 4Å; G37-Q41 VanDerWaalsContact CA-NE2 3.33Å; G38-Q41 WeakPolarHBondContact O-CG 3.48Å; G38-Q41 PolarHBondContact O-NE2 2.95Å; V39-Q41 VanDerWaalsContact C-N 3.31Å; V39-Q41 PolarHBondContact O-N 3.36Å
42S97.9Very high97.2Very high63 Ų6343.7 Ų43.744%0.44128%0.28SS..G310 helixtrans-96.64.2-178.1-56.20000113V39 F40 T44V39-S42 WeakPolarHBondContact O-CB 3.22Å; V39-S42 PolarHBondContact O-N 3.26Å; F40-S42 PolarHBondContact O-N 3Å; S42-T44 PolarHBondContact O-N 3.17Å
43I98.7Very high96.9Very high9 Ų942.3 Ų42.35%0.04628%0.282CS..  trans-60.5125177-73.8167.3000109.5V31 F40 E47 I48 L66 F112V31-I43 HydrophobicContact CG2-CB 4.03Å; F40-I43 HydrophobicContact CB-CD1 3.87Å; F40-I43 HydrophobicContact CD1-CD1 3.83Å; F40-I43 HydrophobicContact CG-CD1 4.07Å; F40-I43 WeakPolarHBondContact O-CB 3.33Å; F40-I43 WeakPolarHBondContact O-CG1 3.39Å; F40-I43 PolarHBondContact O-N 3.03Å; F40-I43 VanDerWaalsContact O-N 3.16Å; I43-E47 WeakPolarHBondContact CA-OE2 3.39Å; I43-E47 HydrophobicContact CG2-CB 4.32Å; I43-I48 HydrophobicContact CG2-CD1 4.19Å; I43-I48 HydrophobicContact CG2-CG1 3.64Å; I43-L66 HydrophobicContact CD1-CB 4.38Å; I43-L66 HydrophobicContact CD1-CD2 4.25Å; I43-L66 HydrophobicContact CG1-CB 4.26Å; I43-F112 HydrophobicContact CD1-CD1 4.2Å; I43-F112 HydrophobicContact CD1-CE1 4.14Å; I43-F112 HydrophobicContact CD1-CG 4.45Å; I43-F112 HydrophobicContact CD1-CZ 4.31Å
44T98.2Very high96.5Very high61 Ų6151.6 Ų51.637%0.37432%0.32SS..  trans-92159-176.766.20000112.2S42 V46 E47 I48S42-T44 PolarHBondContact O-N 3.17Å; T44-V46 PolarHBondContact O-N 3.29Å; T44-E47 PolarHBondContact N-OE2 3.16Å; T44-E47 PolarHBondContact O-N 2.88Å; T44-E47 WeakPolarHBondContact OG1-CG 3.49Å; T44-E47 PolarHBondContact OG1-N 2.94Å; T44-E47 PolarHBondContact OG1-OE2 2.87Å; T44-I48 WeakPolarHBondContact O-CG1 3.5Å; T44-I48 PolarHBondContact O-N 2.71Å
45P97.9Very high96.1Very high67 Ų6755.9 Ų55.944%0.43534%0.341SS..Hα-helixtrans-53.9-35171.7-27.535.8000113.7K29 I48 D49K29-P45 HydrophobicContact CD-CB 4.15Å; K29-P45 HydrophobicContact CG-CB 4.37Å; P45-I48 WeakPolarHBondContact O-CB 3.38Å; P45-I48 PolarHBondContact O-N 2.81Å; P45-D49 WeakPolarHBondContact O-CB 3.38Å; P45-D49 PolarHBondContact O-N 3.43Å
46V96.9Very high95.8Very high96 Ų9656.4 Ų56.458%0.58234%0.339SS*.Hα-helixtrans-67.1-40.5177.8174.60000111.3T44 D49 M50T44-V46 PolarHBondContact O-N 3.29Å; V46-D49 PolarHBondContact O-N 3.1Å; V46-M50 HydrophobicContact CG1-CE 3.6Å; V46-M50 WeakPolarHBondContact O-CG 3.48Å; V46-M50 PolarHBondContact O-N 3.47Å
47E97.9Very high95.5Very high9 Ų959.8 Ų59.84%0.04234%0.339CS..Hα-helixtrans-68.4-36.3173.6-70.3172.8137.200112I43 T44 D49 M50 I51 T65 L66 G67 A68I43-E47 WeakPolarHBondContact CA-OE2 3.39Å; I43-E47 HydrophobicContact CG2-CB 4.32Å; T44-E47 PolarHBondContact N-OE2 3.16Å; T44-E47 PolarHBondContact O-N 2.88Å; T44-E47 WeakPolarHBondContact OG1-CG 3.49Å; T44-E47 PolarHBondContact OG1-N 2.94Å; T44-E47 PolarHBondContact OG1-OE2 2.87Å; E47-D49 VanDerWaalsContact C-N 3.34Å; E47-M50 HydrophobicContact CG-CE 4.22Å; E47-M50 WeakPolarHBondContact O-CB 3.45Å; E47-M50 PolarHBondContact O-N 3.3Å; E47-I51 VanDerWaalsContact O-CG1 3.31Å; E47-I51 WeakPolarHBondContact O-CG1 3.37Å; E47-I51 PolarHBondContact O-N 3.41Å; E47-T65 WeakPolarHBondContact CG-OG1 3.23Å; E47-T65 VanDerWaalsContact OE1-C 3.24Å; E47-T65 WeakPolarHBondContact OE1-CB 3.32Å; E47-T65 PolarHBondContact OE1-OG1 2.91Å; E47-L66 PolarHBondContact OE1-N 3.3Å; E47-G67 VanDerWaalsContact CD-N 3.31Å; E47-G67 PolarHBondContact OE1-N 2.79Å; E47-G67 PolarHBondContact OE2-N 3.47Å; E47-A68 PolarHBondContact OE1-N 2.69Å
48I98.3Very high95.3Very high0 Ų057.1 Ų57.10%031%0.311CS..Hα-helixtrans-60.7-47.4172.7-62.6164.7000109.8V23 K29 I43 T44 P45 M50 I51 V52 L110V23-I48 HydrophobicContact CG1-CD1 3.31Å; V23-I48 HydrophobicContact CG1-CG1 3.7Å; K29-I48 HydrophobicContact CD-CB 4.2Å; K29-I48 HydrophobicContact CD-CG2 4.05Å; K29-I48 HydrophobicContact CG-CB 4.03Å; K29-I48 HydrophobicContact CG-CD1 3.89Å; K29-I48 HydrophobicContact CG-CG2 3.74Å; I43-I48 HydrophobicContact CG2-CD1 4.19Å; I43-I48 HydrophobicContact CG2-CG1 3.64Å; T44-I48 WeakPolarHBondContact O-CG1 3.5Å; T44-I48 PolarHBondContact O-N 2.71Å; P45-I48 WeakPolarHBondContact O-CB 3.38Å; P45-I48 PolarHBondContact O-N 2.81Å; I48-M50 VanDerWaalsContact C-N 3.3Å; I48-M50 PolarHBondContact O-N 3.05Å; I48-I51 PolarHBondContact O-N 2.99Å; I48-V52 WeakPolarHBondContact O-CG2 3.21Å; I48-V52 PolarHBondContact O-N 3.41Å; I48-L110 HydrophobicContact CG2-CD1 4.42Å
49D95.7Very high95Very high75 Ų7556.7 Ų56.740%0.40130%0.303SS..Hα-helixtrans-60.8-36.8177.2-85.8-40.2000113.4K29 P45 V46 E47 G53K29-D49 IonicContact NZ-OD1 2.58Å; K29-D49 PolarHBondContact NZ-OD1 2.77Å; K29-D49 IonicContact NZ-OD2 2.87Å; K29-D49 PolarHBondContact NZ-OD2 2.67Å; P45-D49 WeakPolarHBondContact O-CB 3.38Å; P45-D49 PolarHBondContact O-N 3.43Å; V46-D49 PolarHBondContact O-N 3.1Å; E47-D49 VanDerWaalsContact C-N 3.34Å; D49-G53 VanDerWaalsContact O-CA 3.31Å; D49-G53 WeakPolarHBondContact O-CA 3.31Å; D49-G53 PolarHBondContact O-N 3.29Å
50M94.7Very high94.7Very high82 Ų8259.9 Ų59.940%0.40431%0.314SS..Hα-helixtrans-59.2-53.2169.8-70.8-178.8-124.300109.9V46 E47 I48 V52 G53 F59V46-M50 HydrophobicContact CG1-CE 3.6Å; V46-M50 WeakPolarHBondContact O-CG 3.48Å; V46-M50 PolarHBondContact O-N 3.47Å; E47-M50 HydrophobicContact CG-CE 4.22Å; E47-M50 WeakPolarHBondContact O-CB 3.45Å; E47-M50 PolarHBondContact O-N 3.3Å; I48-M50 VanDerWaalsContact C-N 3.3Å; I48-M50 PolarHBondContact O-N 3.05Å; M50-V52 VanDerWaalsContact C-N 3.31Å; M50-V52 PolarHBondContact O-N 3.1Å; M50-G53 PolarHBondContact O-N 2.95Å; M50-F59 WeakPolarHBondContact O-CZ 3.34Å
51I96.1Very high94.2Very high0 Ų065.2 Ų65.20%035%0.346CS..Hα-helixtrans-61.3-35.3-175.6-66.9164.4000113.2E47 I48 R56 L64 L66 L78 M86 L110 F112E47-I51 VanDerWaalsContact O-CG1 3.31Å; E47-I51 WeakPolarHBondContact O-CG1 3.37Å; E47-I51 PolarHBondContact O-N 3.41Å; I48-I51 PolarHBondContact O-N 2.99Å; I51-R56 PolarHBondContact O-NH1 3.38Å; I51-R56 PolarHBondContact O-NH2 2.98Å; I51-L64 HydrophobicContact CG1-CD2 4.2Å; I51-L66 HydrophobicContact CD1-CD2 3.48Å; I51-L66 VanDerWaalsContact CD1-CD2 3.48Å; I51-L66 HydrophobicContact CG1-CD2 4.47Å; I51-L78 HydrophobicContact CG2-CD2 4.02Å; I51-M86 HydrophobicContact CG2-CE 3.8Å; I51-L110 HydrophobicContact CG2-CD1 3.89Å; I51-F112 HydrophobicContact CD1-CE1 3.71Å; I51-F112 HydrophobicContact CD1-CZ 3.57Å
52V95.6Very high93.9Very high26 Ų2666.9 Ų66.916%0.15836%0.358CS..THydrogen-bonded Turntrans-96.75.5178.1-57.90000113.3Y25 I48 M50 Y79 L110Y25-V52 HydrophobicContact CD2-CB 4.32Å; Y25-V52 HydrophobicContact CD2-CG1 3.72Å; Y25-V52 HydrophobicContact CD2-CG2 4.46Å; Y25-V52 HydrophobicContact CE2-CG1 4.35Å; Y25-V52 HydrophobicContact CG-CG1 3.91Å; I48-V52 WeakPolarHBondContact O-CG2 3.21Å; I48-V52 PolarHBondContact O-N 3.41Å; M50-V52 VanDerWaalsContact C-N 3.31Å; M50-V52 PolarHBondContact O-N 3.1Å; V52-Y79 VanDerWaalsContact CA-OH 3.32Å; V52-Y79 WeakPolarHBondContact CA-OH 3.22Å; V52-Y79 VanDerWaalsContact CB-OH 3.23Å; V52-Y79 WeakPolarHBondContact CB-OH 3.31Å; V52-Y79 PolarHBondContact O-OH 3.1Å; V52-Y79 VanDerWaalsContact O-OH 3.09Å; V52-L110 HydrophobicContact CG1-CD1 3.91Å; V52-L110 HydrophobicContact CG1-CD2 4.38Å
53G92.3Very high93.7Very high22 Ų2264.5 Ų64.523%0.22734%0.343CS..SBendtrans-66.2165.6-178.600000113.3D49 M50 R56D49-G53 VanDerWaalsContact O-CA 3.31Å; D49-G53 WeakPolarHBondContact O-CA 3.31Å; D49-G53 PolarHBondContact O-N 3.29Å; M50-G53 PolarHBondContact O-N 2.95Å; G53-R56 WeakPolarHBondContact O-CD 3.25Å; G53-R56 PolarHBondContact O-NH1 3.09Å
54K88.8Confident93.5Very high206 Ų20664.6 Ų64.690%0.89634%0.344SS*.SBendtrans-82.6-26.9-177.2-63-175.1-179.5-179.30114R56K54-R56 VanDerWaalsContact C-N 3.32Å; K54-R56 PolarHBondContact O-N 3.11Å
55D90.8Very high93.5Very high103 Ų10363.6 Ų63.655%0.55134%0.338SS*.  trans-77.784.7177.4-179.316.2000109.9G58D55-G58 PolarHBondContact OD1-N 3.44Å
56R92.8Very high93.5Very high44 Ų4460.5 Ų60.517%0.16632%0.318CS..  trans-78.9-32179.3-48.9-48.4-65.8174.73.3111.9I51 G53 K54 F59 D76I51-R56 PolarHBondContact O-NH1 3.38Å; I51-R56 PolarHBondContact O-NH2 2.98Å; G53-R56 WeakPolarHBondContact O-CD 3.25Å; G53-R56 PolarHBondContact O-NH1 3.09Å; K54-R56 VanDerWaalsContact C-N 3.32Å; K54-R56 PolarHBondContact O-N 3.11Å; R56-F59 VanDerWaalsContact O-CD2 3.24Å; R56-F59 WeakPolarHBondContact O-CD2 3.21Å; R56-F59 PolarHBondContact O-N 3.33Å; R56-D76 IonicContact CZ-OD1 3.42Å; R56-D76 IonicContact CZ-OD2 2.67Å; R56-D76 IonicContact NE-OD1 3.82Å; R56-D76 IonicContact NE-OD2 3.2Å; R56-D76 PolarHBondContact NE-OD2 3.04Å; R56-D76 IonicContact NH2-OD1 3.89Å; R56-D76 PolarHBondContact NH2-OD1 3.11Å; R56-D76 IonicContact NH2-OD2 2.69Å; R56-D76 PolarHBondContact NH2-OD2 2.97Å
57E88.7Confident93.5Very high165 Ų16556.8 Ų56.877%0.77130%0.299SS*.THydrogen-bonded Turntrans-69.3-37.4-178.3-64.8-175.5176.100111.6F59 F60E57-F59 PolarHBondContact O-N 3.23Å; E57-F59 VanDerWaalsContact O-N 3.08Å; E57-F60 PolarHBondContact O-N 3.06Å
58G90.2Very high93.4Very high10 Ų1060.1 Ų60.110%0.10333%0.328CS..Hα-helixtrans-57.8-21.1176.800000114.7D55 F60 T61 N62D55-G58 PolarHBondContact OD1-N 3.44Å; G58-F60 VanDerWaalsContact C-N 3.33Å; G58-F60 PolarHBondContact O-N 2.99Å; G58-T61 PolarHBondContact O-N 3.32Å; G58-T61 PolarHBondContact O-OG1 3.05Å; G58-T61 VanDerWaalsContact O-OG1 3.11Å; G58-N62 WeakPolarHBondContact O-CB 3.5Å; G58-N62 PolarHBondContact O-N 2.93Å
59F90.9Very high93.3Very high13 Ų1362.1 Ų62.16%0.05734%0.337CS..Hα-helixtrans-65.1-34.5176.9-70.4-46.7000114M50 R56 E57 T61 G63 L64 V73M50-F59 WeakPolarHBondContact O-CZ 3.34Å; R56-F59 VanDerWaalsContact O-CD2 3.24Å; R56-F59 WeakPolarHBondContact O-CD2 3.21Å; R56-F59 PolarHBondContact O-N 3.33Å; E57-F59 PolarHBondContact O-N 3.23Å; E57-F59 VanDerWaalsContact O-N 3.08Å; F59-T61 VanDerWaalsContact C-N 3.26Å; F59-T61 PolarHBondContact O-N 3.4Å; F59-G63 VanDerWaalsContact O-CA 3.24Å; F59-G63 WeakPolarHBondContact O-CA 3.33Å; F59-G63 PolarHBondContact O-N 3.28Å; F59-L64 HydrophobicContact CD1-CB 4.48Å; F59-L64 HydrophobicContact CD1-CD2 4.04Å; F59-L64 HydrophobicContact CE1-CD2 4.06Å; F59-V73 HydrophobicContact CB-CB 3.86Å; F59-V73 HydrophobicContact CB-CG1 4.21Å; F59-V73 HydrophobicContact CB-CG2 3.71Å; F59-V73 HydrophobicContact CD1-CG2 4.28Å; F59-V73 HydrophobicContact CG-CG2 4.03Å
60F89.3Confident93.4Very high113 Ų11363.9 Ų63.950%0.49634%0.341SS..Hα-helixtrans-76.6-19.4-176.4-61.8-77.6000112.1E57 G58 V73 D76E57-F60 PolarHBondContact O-N 3.06Å; G58-F60 VanDerWaalsContact C-N 3.33Å; G58-F60 PolarHBondContact O-N 2.99Å; F60-V73 HydrophobicContact CE1-CG1 4.04Å; F60-V73 HydrophobicContact CZ-CG1 4.3Å; F60-D76 HydrophobicContact CE2-CB 4.38Å; F60-D76 HydrophobicContact CZ-CB 3.96Å
61T89.9Confident93.5Very high111 Ų11160 Ų6068%0.68132%0.322SS*.Hα-helixtrans-99.3-47.1177.655.10000112.1G58 F59G58-T61 PolarHBondContact O-N 3.32Å; G58-T61 PolarHBondContact O-OG1 3.05Å; G58-T61 VanDerWaalsContact O-OG1 3.11Å; F59-T61 VanDerWaalsContact C-N 3.26Å; F59-T61 PolarHBondContact O-N 3.4Å
62N90.8Very high93.5Very high129 Ų12961.6 Ų61.669%0.6933%0.333SS*.Hα-helixtrans-95.1-24.4-173-60.5-45.1000113.1G58G58-N62 WeakPolarHBondContact O-CB 3.5Å; G58-N62 PolarHBondContact O-N 2.93Å
63G93.1Very high93.6Very high13 Ų1360.8 Ų60.813%0.13433%0.328CS..  trans67.6-156.3-167.500000112.1F59 C71F59-G63 VanDerWaalsContact O-CA 3.24Å; F59-G63 WeakPolarHBondContact O-CA 3.33Å; F59-G63 PolarHBondContact O-N 3.28Å; G63-C71 WeakPolarHBondContact CA-O 3.14Å
64L95.8Very high93.8Very high12 Ų1264.6 Ų64.66%0.06334%0.342CS..EExtended strand (participates in β ladder)trans-152.9178.8177.860.383.2000110.8I51 F59 L66 C71 V73 M86 I88I51-L64 HydrophobicContact CG1-CD2 4.2Å; F59-L64 HydrophobicContact CD1-CB 4.48Å; F59-L64 HydrophobicContact CD1-CD2 4.04Å; F59-L64 HydrophobicContact CE1-CD2 4.06Å; L64-L66 HydrophobicContact CD1-CD2 3.75Å; L64-L66 HydrophobicContact CD1-CG 3.74Å; L64-C71 HydrophobicContact CD1-CB 3.83Å; L64-C71 HydrophobicContact CG-CB 4.32Å; L64-C71 PolarHBondContact N-O 2.97Å; L64-C71 WeakPolarHBondContact O-CB 3.41Å; L64-C71 PolarHBondContact O-N 3.06Å; L64-V73 HydrophobicContact CD2-CG2 3.71Å; L64-V73 HydrophobicContact CG-CG2 4.28Å; L64-M86 HydrophobicContact CD2-CE 4.31Å; L64-M86 HydrophobicContact CD2-SD 4.42Å; L64-I88 HydrophobicContact CD1-CD1 4.14Å; L64-I88 HydrophobicContact CD2-CD1 4.08Å
65T97.1Very high94.2Very high39 Ų3959.9 Ų59.924%0.23932%0.319CS..EExtended strand (participates in β ladder)trans-120.6148.9168.959.40000111.5E47 K69 K70E47-T65 WeakPolarHBondContact CG-OG1 3.23Å; E47-T65 VanDerWaalsContact OE1-C 3.24Å; E47-T65 WeakPolarHBondContact OE1-CB 3.32Å; E47-T65 PolarHBondContact OE1-OG1 2.91Å; T65-K69 CarbonylContact C-O 3.52Å; T65-K69 WeakPolarHBondContact CA-O 3.47Å; T65-K70 HydrophobicContact CG2-CG 4.26Å
66L97.7Very high94.5Very high2 Ų256.4 Ų56.41%0.0130%0.3CS..EExtended strand (participates in β ladder)trans-125.3114.1168.9-59.2178.2000107.3V39 F40 I43 E47 I51 L64 A68 K69 I88 V101 F112V39-L66 WeakPolarHBondContact CG1-O 3.31Å; F40-L66 HydrophobicContact CD1-CB 4.47Å; F40-L66 HydrophobicContact CD1-CD1 4.47Å; F40-L66 HydrophobicContact CE1-CB 4.42Å; F40-L66 HydrophobicContact CE1-CD1 3.74Å; I43-L66 HydrophobicContact CD1-CB 4.38Å; I43-L66 HydrophobicContact CD1-CD2 4.25Å; I43-L66 HydrophobicContact CG1-CB 4.26Å; E47-L66 PolarHBondContact OE1-N 3.3Å; I51-L66 HydrophobicContact CD1-CD2 3.48Å; I51-L66 VanDerWaalsContact CD1-CD2 3.48Å; I51-L66 HydrophobicContact CG1-CD2 4.47Å; L64-L66 HydrophobicContact CD1-CD2 3.75Å; L64-L66 HydrophobicContact CD1-CG 3.74Å; L66-A68 PolarHBondContact O-N 3.28Å; L66-K69 PolarHBondContact N-O 3.04Å; L66-K69 VanDerWaalsContact O-CB 3.26Å; L66-K69 WeakPolarHBondContact O-CB 3.2Å; L66-K69 PolarHBondContact O-N 2.89Å; L66-I88 HydrophobicContact CD1-CD1 4.3Å; L66-V101 HydrophobicContact CD1-CG1 3.99Å; L66-F112 HydrophobicContact CD1-CD1 4.4Å; L66-F112 HydrophobicContact CD1-CE1 4.44Å; L66-F112 HydrophobicContact CD2-CD1 4.44Å; L66-F112 HydrophobicContact CD2-CE1 3.76Å
67G97.1Very high94.7Very high19 Ų1954.9 Ų54.920%0.19630%0.296CS..THydrogen-bonded Turntrans54.842.5-176.700000112.4E47 K69E47-G67 VanDerWaalsContact CD-N 3.31Å; E47-G67 PolarHBondContact OE1-N 2.79Å; E47-G67 PolarHBondContact OE2-N 3.47Å; G67-K69 PolarHBondContact O-N 2.69Å; G67-K69 VanDerWaalsContact O-N 3.1Å
68A95.7Very high95.1Very high79 Ų7947 Ų4765%0.65326%0.259SS*.THydrogen-bonded Turntrans64.1-0.9-172.100000116.4E47 L66 K70E47-A68 PolarHBondContact OE1-N 2.69Å; L66-A68 PolarHBondContact O-N 3.28Å; A68-K70 PolarHBondContact O-N 2.93Å
69K96.6Very high95.3Very high42 Ų4251.2 Ų51.218%0.18327%0.273CS..EExtended strand (participates in β ladder)trans-76.4119.5171.9-173.466.7179.2-179.10109.9V39 T65 L66 G67 C71 T90 K91 E96V39-K69 HydrophobicContact CG1-CB 3.83Å; T65-K69 CarbonylContact C-O 3.52Å; T65-K69 WeakPolarHBondContact CA-O 3.47Å; L66-K69 PolarHBondContact N-O 3.04Å; L66-K69 VanDerWaalsContact O-CB 3.26Å; L66-K69 WeakPolarHBondContact O-CB 3.2Å; L66-K69 PolarHBondContact O-N 2.89Å; G67-K69 PolarHBondContact O-N 2.69Å; G67-K69 VanDerWaalsContact O-N 3.1Å; K69-C71 PolarHBondContact O-SG 2.98Å; K69-T90 HydrophobicContact CG-CG2 4.17Å; K69-K91 VanDerWaalsContact CE-O 3.29Å; K69-K91 WeakPolarHBondContact CE-O 3.25Å; K69-K91 PolarHBondContact NZ-O 3.44Å; K69-E96 IonicContact NZ-OE1 2.64Å; K69-E96 PolarHBondContact NZ-OE1 3.15Å
70K96.7Very high95.5Very high111 Ų11154.1 Ų54.148%0.48329%0.291SS..EExtended strand (participates in β ladder)trans-64.3139.7175.3-68.1-172.2180-175.10111.4T65 A68 K91T65-K70 HydrophobicContact CG2-CG 4.26Å; A68-K70 PolarHBondContact O-N 2.93Å; K70-K91 HydrophobicContact CB-CB 4.19Å; K70-K91 HydrophobicContact CB-CD 4.39Å; K70-K91 PolarHBondContact O-N 3.43Å
71C97.8Very high95.5Very high2 Ų255.8 Ų55.81%0.01431%0.305CS..EExtended strand (participates in β ladder)trans-138.9153.5-175.8-71.10000111.4G63 L64 K69 I88 R89G63-C71 WeakPolarHBondContact CA-O 3.14Å; L64-C71 HydrophobicContact CD1-CB 3.83Å; L64-C71 HydrophobicContact CG-CB 4.32Å; L64-C71 PolarHBondContact N-O 2.97Å; L64-C71 WeakPolarHBondContact O-CB 3.41Å; L64-C71 PolarHBondContact O-N 3.06Å; K69-C71 PolarHBondContact O-SG 2.98Å; C71-I88 HydrophobicContact CB-CG2 3.5Å; C71-I88 VanDerWaalsContact CB-CG2 3.5Å; C71-R89 CarbonylContact C-O 3.53Å; C71-R89 VanDerWaalsContact CA-O 3.3Å; C71-R89 WeakPolarHBondContact CA-O 3.32Å
72S96.9Very high95.5Very high32 Ų3253 Ų5322%0.22430%0.3CS..EExtended strand (participates in β ladder)trans-109.4139.5164.549.70000109.7I88 R89S72-I88 CarbonylContact O-C 3.57Å; S72-I88 WeakPolarHBondContact O-CA 3.39Å; S72-R89 PolarHBondContact N-O 2.71Å; S72-R89 PolarHBondContact O-N 2.83Å; S72-R89 PolarHBondContact OG-O 2.9Å
73V97.4Very high95.6Very high9 Ų949.5 Ų49.56%0.05528%0.28CS..EExtended strand (participates in β ladder)trans-85.4130.5171.11760000108.8F59 F60 L64 D76 M86 I88F59-V73 HydrophobicContact CB-CB 3.86Å; F59-V73 HydrophobicContact CB-CG1 4.21Å; F59-V73 HydrophobicContact CB-CG2 3.71Å; F59-V73 HydrophobicContact CD1-CG2 4.28Å; F59-V73 HydrophobicContact CG-CG2 4.03Å; F60-V73 HydrophobicContact CE1-CG1 4.04Å; F60-V73 HydrophobicContact CZ-CG1 4.3Å; L64-V73 HydrophobicContact CD2-CG2 3.71Å; L64-V73 HydrophobicContact CG-CG2 4.28Å; V73-D76 HydrophobicContact CG1-CB 4.19Å; V73-M86 HydrophobicContact CG1-CG 4.09Å; V73-M86 HydrophobicContact CG1-SD 4.27Å; V73-M86 HydrophobicContact CG2-SD 4.1Å; V73-I88 HydrophobicContact CG2-CG1 4.13Å
74I96.7Very high95.8Very high102 Ų10249.3 Ų49.352%0.52328%0.277SS..EExtended strand (participates in β ladder)trans-99-41.3-179.4-52.8-57.6000110.2D87 R89I74-D87 HydrophobicContact CB-CB 4.27Å; I74-D87 PolarHBondContact N-O 3.35Å; I74-R89 HydrophobicContact CD1-CB 4.18Å; I74-R89 HydrophobicContact CG1-CB 4.2Å
75R96.5Very high95.9Very high107 Ų10748.9 Ų48.940%0.40428%0.275SS..EExtended strand (participates in β ladder)trans-146.2139.3175.7-179.6-176.6172.8-175.10109.1S77 D83 M86 D87R75-S77 PolarHBondContact NE-OG 2.94Å; R75-S77 VanDerWaalsContact NE-OG 3.13Å; R75-S77 PolarHBondContact NH2-OG 2.92Å; R75-D83 IonicContact CZ-OD2 2.68Å; R75-D83 IonicContact NH2-OD1 3.88Å; R75-D83 IonicContact NH2-OD2 3.32Å; R75-D83 PolarHBondContact NH2-OD2 3.05Å; R75-M86 CarbonylContact O-C 3.49Å; R75-M86 WeakPolarHBondContact O-CA 3.24Å; R75-M86 WeakPolarHBondContact O-CG 3.15Å; R75-D87 HydrophobicContact CB-CB 4.12Å; R75-D87 PolarHBondContact N-O 3.28Å; R75-D87 PolarHBondContact O-N 3.44Å
76D96.7Very high96Very high31 Ų3147 Ų4717%0.16626%0.263CS..EExtended strand (participates in β ladder)trans-125.4109.3172-17925.2000110.5R56 F60 V73 L78 M86R56-D76 IonicContact CZ-OD1 3.42Å; R56-D76 IonicContact CZ-OD2 2.67Å; R56-D76 IonicContact NE-OD1 3.82Å; R56-D76 IonicContact NE-OD2 3.2Å; R56-D76 PolarHBondContact NE-OD2 3.04Å; R56-D76 IonicContact NH2-OD1 3.89Å; R56-D76 PolarHBondContact NH2-OD1 3.11Å; R56-D76 IonicContact NH2-OD2 2.69Å; R56-D76 PolarHBondContact NH2-OD2 2.97Å; F60-D76 HydrophobicContact CE2-CB 4.38Å; F60-D76 HydrophobicContact CZ-CB 3.96Å; V73-D76 HydrophobicContact CG1-CB 4.19Å; D76-L78 VanDerWaalsContact OD1-CB 3.31Å; D76-L78 WeakPolarHBondContact OD1-CB 3.48Å; D76-L78 PolarHBondContact OD1-N 3.18Å; D76-L78 VanDerWaalsContact OD1-N 3.12Å; D76-M86 HydrophobicContact CB-CG 4.37Å
77S96.4Very high96Very high11 Ų1148.2 Ų48.28%0.07727%0.27CS..EExtended strand (participates in β ladder)trans-126.724.2172.1-690000110R75 Y79 V80 D83 C84 T85R75-S77 PolarHBondContact NE-OG 2.94Å; R75-S77 VanDerWaalsContact NE-OG 3.13Å; R75-S77 PolarHBondContact NH2-OG 2.92Å; S77-Y79 PolarHBondContact O-N 3.02Å; S77-V80 PolarHBondContact O-N 2.88Å; S77-V80 VanDerWaalsContact O-N 3.08Å; S77-D83 WeakPolarHBondContact CB-OD2 3.21Å; S77-D83 PolarHBondContact OG-OD2 3.08Å; S77-D83 VanDerWaalsContact OG-OD2 3.08Å; S77-C84 WeakPolarHBondContact O-CA 3.41Å; S77-C84 PolarHBondContact O-N 3.05Å; S77-C84 VanDerWaalsContact O-N 3.16Å; S77-T85 CarbonylContact C-O 3.58Å; S77-T85 WeakPolarHBondContact CA-O 3.4Å; S77-T85 WeakPolarHBondContact CB-O 3.26Å; S77-T85 PolarHBondContact N-O 3.36Å; S77-T85 PolarHBondContact O-N 3.16Å
78L97.1Very high96.1Very high0 Ų047.4 Ų47.40%026%0.261CS..THydrogen-bonded Turntrans-63-29.4-170.2-161.471.7000112.7I51 D76 T85 M86 V103 R105 L110I51-L78 HydrophobicContact CG2-CD2 4.02Å; D76-L78 VanDerWaalsContact OD1-CB 3.31Å; D76-L78 WeakPolarHBondContact OD1-CB 3.48Å; D76-L78 PolarHBondContact OD1-N 3.18Å; D76-L78 VanDerWaalsContact OD1-N 3.12Å; L78-T85 PolarHBondContact N-O 3.12Å; L78-M86 HydrophobicContact CB-CB 4.37Å; L78-M86 HydrophobicContact CD1-CB 4.15Å; L78-V103 HydrophobicContact CD1-CG1 4.21Å; L78-R105 HydrophobicContact CD1-CB 3.69Å; L78-R105 HydrophobicContact CG-CB 3.91Å; L78-R105 PolarHBondContact O-NE 2.99Å; L78-L110 HydrophobicContact CD2-CD2 4.44Å
79Y95.6Very high96.2Very high99 Ų9948.5 Ų48.539%0.38825%0.248SC..THydrogen-bonded Turntrans-111.810.7177.3-67.2-75.7000113.5V52 S77V52-Y79 VanDerWaalsContact CA-OH 3.32Å; V52-Y79 WeakPolarHBondContact CA-OH 3.22Å; V52-Y79 VanDerWaalsContact CB-OH 3.23Å; V52-Y79 WeakPolarHBondContact CB-OH 3.31Å; V52-Y79 PolarHBondContact O-OH 3.1Å; V52-Y79 VanDerWaalsContact O-OH 3.09Å; S77-Y79 PolarHBondContact O-N 3.02Å
80V94.8Very high96.3Very high73 Ų7346.7 Ų46.744%0.44224%0.241SC..SBendtrans-85.9121.8171.4177.60000108S77 G82 D83 C84S77-V80 PolarHBondContact O-N 2.88Å; S77-V80 VanDerWaalsContact O-N 3.08Å; V80-G82 PolarHBondContact O-N 3.37Å; V80-D83 HydrophobicContact CB-CB 4.19Å; V80-D83 HydrophobicContact CG1-CB 4.29Å; V80-D83 PolarHBondContact O-N 2.84Å; V80-D83 VanDerWaalsContact O-N 3.15Å; V80-C84 PolarHBondContact O-N 3.3Å
81D89.6Confident96.3Very high148 Ų14845.3 Ų45.379%0.79124%0.235SC*.THydrogen-bonded Turntrans-58.7134.5178.9-71.8-27.9000111D83D81-D83 PolarHBondContact O-N 3.02Å
82G90Very high96.1Very high54 Ų5447.6 Ų47.656%0.55725%0.25SS*.THydrogen-bonded Turntrans86.5-26.8-176.800000114.8V80 Y129V80-G82 PolarHBondContact O-N 3.37Å; G82-Y129 WeakPolarHBondContact O-CE2 3.49Å; G82-Y129 PolarHBondContact O-OH 3.17Å; G82-Y129 VanDerWaalsContact O-OH 3.1Å
83D92.9Very high95.6Very high54 Ų5452.4 Ų52.429%0.28927%0.27SS..THydrogen-bonded Turntrans-93.2-58.6176.3-84.7-14.4000111.7R75 S77 V80 D81 T85 Y129R75-D83 IonicContact CZ-OD2 2.68Å; R75-D83 IonicContact NH2-OD1 3.88Å; R75-D83 IonicContact NH2-OD2 3.32Å; R75-D83 PolarHBondContact NH2-OD2 3.05Å; S77-D83 WeakPolarHBondContact CB-OD2 3.21Å; S77-D83 PolarHBondContact OG-OD2 3.08Å; S77-D83 VanDerWaalsContact OG-OD2 3.08Å; V80-D83 HydrophobicContact CB-CB 4.19Å; V80-D83 HydrophobicContact CG1-CB 4.29Å; V80-D83 PolarHBondContact O-N 2.84Å; V80-D83 VanDerWaalsContact O-N 3.15Å; D81-D83 PolarHBondContact O-N 3.02Å; D83-T85 PolarHBondContact O-N 3.03Å; D83-Y129 WeakPolarHBondContact O-CD2 3.31Å; D83-Y129 VanDerWaalsContact O-CE2 3.32Å; D83-Y129 WeakPolarHBondContact O-CE2 3.31Å
84C97.3Very high95.2Very high9 Ų955.5 Ų55.56%0.06130%0.303CS..  trans48.931.6178.7-59.60000115.7S77 V80 R105S77-C84 WeakPolarHBondContact O-CA 3.41Å; S77-C84 PolarHBondContact O-N 3.05Å; S77-C84 VanDerWaalsContact O-N 3.16Å; V80-C84 PolarHBondContact O-N 3.3Å; C84-R105 PolarHBondContact O-N 3.38Å
85T98.4Very high94.9Very high3 Ų354 Ų542%0.01831%0.313CS..EExtended strand (participates in β ladder)trans-134.2157.2-177.652.30000113.6S77 L78 D83 V103 N125 Y129S77-T85 CarbonylContact C-O 3.58Å; S77-T85 WeakPolarHBondContact CA-O 3.4Å; S77-T85 WeakPolarHBondContact CB-O 3.26Å; S77-T85 PolarHBondContact N-O 3.36Å; S77-T85 PolarHBondContact O-N 3.16Å; L78-T85 PolarHBondContact N-O 3.12Å; D83-T85 PolarHBondContact O-N 3.03Å; T85-V103 CarbonylContact C-O 3.53Å; T85-V103 WeakPolarHBondContact CA-O 3.38Å; T85-V103 WeakPolarHBondContact CB-O 3.43Å; T85-N125 WeakPolarHBondContact CB-ND2 2.99Å; T85-N125 PolarHBondContact OG1-ND2 3.32Å; T85-Y129 HydrophobicContact CG2-CD2 4.15Å; T85-Y129 HydrophobicContact CG2-CG 4.48Å
86M98.3Very high94.7Very high0 Ų051.9 Ų51.90%031%0.308CS..EExtended strand (participates in β ladder)trans-134.7135.6173.7178.8-177.655.900109.4I51 L64 V73 R75 D76 L78 I88 A102 V103I51-M86 HydrophobicContact CG2-CE 3.8Å; L64-M86 HydrophobicContact CD2-CE 4.31Å; L64-M86 HydrophobicContact CD2-SD 4.42Å; V73-M86 HydrophobicContact CG1-CG 4.09Å; V73-M86 HydrophobicContact CG1-SD 4.27Å; V73-M86 HydrophobicContact CG2-SD 4.1Å; R75-M86 CarbonylContact O-C 3.49Å; R75-M86 WeakPolarHBondContact O-CA 3.24Å; R75-M86 WeakPolarHBondContact O-CG 3.15Å; D76-M86 HydrophobicContact CB-CG 4.37Å; L78-M86 HydrophobicContact CB-CB 4.37Å; L78-M86 HydrophobicContact CD1-CB 4.15Å; M86-I88 HydrophobicContact CE-CD1 3.41Å; M86-I88 VanDerWaalsContact CE-CD1 3.41Å; M86-I88 HydrophobicContact CE-CG1 4.1Å; M86-I88 HydrophobicContact CG-CG1 4.29Å; M86-I88 HydrophobicContact SD-CD1 4.26Å; M86-I88 HydrophobicContact SD-CG1 4.36Å; M86-A102 WeakPolarHBondContact O-CA 3.5Å; M86-V103 HydrophobicContact CB-CB 4.37Å; M86-V103 HydrophobicContact CE-CB 4.01Å; M86-V103 HydrophobicContact CE-CG1 4.48Å; M86-V103 HydrophobicContact CE-CG2 3.8Å; M86-V103 PolarHBondContact N-O 3.32Å; M86-V103 PolarHBondContact O-N 3.15Å
87D98.4Very high94.7Very high27 Ų2752.9 Ų52.914%0.14432%0.316CS..EExtended strand (participates in β ladder)trans-104.2128.1177.6-61.3-38.6000109.8I74 R75 N125I74-D87 HydrophobicContact CB-CB 4.27Å; I74-D87 PolarHBondContact N-O 3.35Å; R75-D87 HydrophobicContact CB-CB 4.12Å; R75-D87 PolarHBondContact N-O 3.28Å; R75-D87 PolarHBondContact O-N 3.44Å; D87-N125 WeakPolarHBondContact OD1-CB 3.22Å; D87-N125 PolarHBondContact OD1-ND2 3.37Å
88I98.4Very high94.7Very high2 Ų254.8 Ų54.81%0.0133%0.327CS..EExtended strand (participates in β ladder)trans-125.5152.9-177-70.8164.5000109.2L64 L66 C71 S72 V73 M86 V101 V103L64-I88 HydrophobicContact CD1-CD1 4.14Å; L64-I88 HydrophobicContact CD2-CD1 4.08Å; L66-I88 HydrophobicContact CD1-CD1 4.3Å; C71-I88 HydrophobicContact CB-CG2 3.5Å; C71-I88 VanDerWaalsContact CB-CG2 3.5Å; S72-I88 CarbonylContact O-C 3.57Å; S72-I88 WeakPolarHBondContact O-CA 3.39Å; V73-I88 HydrophobicContact CG2-CG1 4.13Å; M86-I88 HydrophobicContact CE-CD1 3.41Å; M86-I88 VanDerWaalsContact CE-CD1 3.41Å; M86-I88 HydrophobicContact CE-CG1 4.1Å; M86-I88 HydrophobicContact CG-CG1 4.29Å; M86-I88 HydrophobicContact SD-CD1 4.26Å; M86-I88 HydrophobicContact SD-CG1 4.36Å; I88-V101 HydrophobicContact CB-CB 3.92Å; I88-V101 HydrophobicContact CB-CG1 4.3Å; I88-V101 HydrophobicContact CG2-CB 4.09Å; I88-V101 PolarHBondContact N-O 2.67Å; I88-V101 PolarHBondContact O-N 2.68Å; I88-V103 HydrophobicContact CD1-CG2 3.85Å
89R98Very high94.7Very high103 Ų10357.4 Ų57.439%0.38934%0.338SS..EExtended strand (participates in β ladder)trans-126.2135.1163.3-179.6169.3-71.3-1514.2110.5C71 S72 I74 Y99 N100C71-R89 CarbonylContact C-O 3.53Å; C71-R89 VanDerWaalsContact CA-O 3.3Å; C71-R89 WeakPolarHBondContact CA-O 3.32Å; S72-R89 PolarHBondContact N-O 2.71Å; S72-R89 PolarHBondContact O-N 2.83Å; S72-R89 PolarHBondContact OG-O 2.9Å; I74-R89 HydrophobicContact CD1-CB 4.18Å; I74-R89 HydrophobicContact CG1-CB 4.2Å; R89-Y99 WeakPolarHBondContact CA-O 3.41Å; R89-N100 VanDerWaalsContact CZ-OD1 3.28Å; R89-N100 PolarHBondContact NE-OD1 3.11Å; R89-N100 PolarHBondContact NH2-ND2 2.97Å; R89-N100 PolarHBondContact NH2-OD1 3.23Å
90T98.1Very high94.9Very high3 Ų353.9 Ų53.92%0.01833%0.325CS..EExtended strand (participates in β ladder)trans-67.7146.9172.865.30000110.4K69 T98 Y99 V101 M114K69-T90 HydrophobicContact CG-CG2 4.17Å; T90-T98 VanDerWaalsContact O-CB 3.24Å; T90-T98 WeakPolarHBondContact O-CB 3.08Å; T90-T98 WeakPolarHBondContact O-CG2 3.16Å; T90-T98 WeakPolarHBondContact OG1-CA 3.5Å; T90-Y99 PolarHBondContact N-O 2.83Å; T90-Y99 PolarHBondContact OG1-N 2.83Å; T90-V101 HydrophobicContact CG2-CG2 4.12Å; T90-M114 HydrophobicContact CG2-CE 4.04Å
91K96.5Very high95.1Very high83 Ų8350.5 Ų50.536%0.36131%0.305SS..PPolyproline II helixtrans-95.8138.4176-67.7-179.8177.9174.50109.9K69 K70K69-K91 VanDerWaalsContact CE-O 3.29Å; K69-K91 WeakPolarHBondContact CE-O 3.25Å; K69-K91 PolarHBondContact NZ-O 3.44Å; K70-K91 HydrophobicContact CB-CB 4.19Å; K70-K91 HydrophobicContact CB-CD 4.39Å; K70-K91 PolarHBondContact O-N 3.43Å
92S93.4Very high95.5Very high49 Ų4943.5 Ų43.534%0.34327%0.267SS..PPolyproline II helixtrans-76.9136.6170.2-171.70000109.5G95 E96S92-G95 VanDerWaalsContact OG-C 3.29Å; S92-G95 VanDerWaalsContact OG-CA 3.22Å; S92-G95 WeakPolarHBondContact OG-CA 3.46Å; S92-G95 PolarHBondContact OG-N 3.4Å; S92-E96 VanDerWaalsContact CA-OE1 3.26Å; S92-E96 WeakPolarHBondContact CA-OE1 3.17Å; S92-E96 WeakPolarHBondContact CB-O 3.41Å; S92-E96 PolarHBondContact OG-N 2.89Å; S92-E96 PolarHBondContact OG-O 3.25Å; S92-E96 PolarHBondContact OG-OE2 2.69Å
93Q86.3Confident95.9Very high134 Ų13440.9 Ų40.963%0.62624%0.241SC*.SBendtrans-111.3-16.6174.6-69.5-174.6-66.700113.1E96Q93-E96 VanDerWaalsContact N-CD 3.34Å; Q93-E96 PolarHBondContact N-OE1 3.17Å; Q93-E96 PolarHBondContact N-OE2 3.25Å
94G89.4Confident96.2Very high73 Ų7338.3 Ų38.375%0.75323%0.227SC*.SBendtrans-145.521-177.300000113.9E96G94-E96 PolarHBondContact N-OE2 2.79Å
95G90.9Very high96.3Very high72 Ų7240.1 Ų40.174%0.74223%0.233SC*.SBendtrans88.76.5-178.100000114.1S92S92-G95 VanDerWaalsContact OG-C 3.29Å; S92-G95 VanDerWaalsContact OG-CA 3.22Å; S92-G95 WeakPolarHBondContact OG-CA 3.46Å; S92-G95 PolarHBondContact OG-N 3.4Å
96E93Very high96.2Very high62 Ų6240 Ų4029%0.2923%0.232SC..PPolyproline II helixtrans-66.4154.1173.478.5-77.1-171.700111.9K69 S92 Q93 G94K69-E96 IonicContact NZ-OE1 2.64Å; K69-E96 PolarHBondContact NZ-OE1 3.15Å; S92-E96 VanDerWaalsContact CA-OE1 3.26Å; S92-E96 WeakPolarHBondContact CA-OE1 3.17Å; S92-E96 WeakPolarHBondContact CB-O 3.41Å; S92-E96 PolarHBondContact OG-N 2.89Å; S92-E96 PolarHBondContact OG-O 3.25Å; S92-E96 PolarHBondContact OG-OE2 2.69Å; Q93-E96 VanDerWaalsContact N-CD 3.34Å; Q93-E96 PolarHBondContact N-OE1 3.17Å; Q93-E96 PolarHBondContact N-OE2 3.25Å; G94-E96 PolarHBondContact N-OE2 2.79Å
97P95Very high96Very high51 Ų5141.7 Ų41.733%0.33125%0.249SC..PPolyproline II helixtrans-56.5145.1176.9-24.734000112.8Y99 E117P97-Y99 HydrophobicContact CB-CE1 4.09Å; P97-E117 HydrophobicContact CB-CG 4.26Å
98T96.9Very high95.8Very high52 Ų5247.1 Ų47.132%0.31927%0.268SS..PPolyproline II helixtrans-101.5148.9172.763.50000110.6T90T90-T98 VanDerWaalsContact O-CB 3.24Å; T90-T98 WeakPolarHBondContact O-CB 3.08Å; T90-T98 WeakPolarHBondContact O-CG2 3.16Å; T90-T98 WeakPolarHBondContact OG1-CA 3.5Å
99Y98.4Very high95.8Very high55 Ų5547 Ų4722%0.21627%0.267CS..  trans-124.2143.3-175-51.7-67.8000110.3R89 T90 P97 M114 E117R89-Y99 WeakPolarHBondContact CA-O 3.41Å; T90-Y99 PolarHBondContact N-O 2.83Å; T90-Y99 PolarHBondContact OG1-N 2.83Å; P97-Y99 HydrophobicContact CB-CE1 4.09Å; Y99-M114 HydrophobicContact CD2-SD 3.78Å; Y99-M114 HydrophobicContact CG-CG 4.32Å; Y99-M114 HydrophobicContact CG-SD 3.99Å; Y99-E117 HydrophobicContact CE1-CB 4.03Å
100N98.6Very high95.8Very high24 Ų2442.1 Ų42.113%0.12825%0.249CC..EExtended strand (participates in β ladder)trans-77.5138.8168-62-57.9000108.7R89 G115 V119 L124R89-N100 VanDerWaalsContact CZ-OD1 3.28Å; R89-N100 PolarHBondContact NE-OD1 3.11Å; R89-N100 PolarHBondContact NH2-ND2 2.97Å; R89-N100 PolarHBondContact NH2-OD1 3.23Å; N100-G115 PolarHBondContact O-N 3.48Å; N100-V119 PolarHBondContact ND2-O 3.13Å; N100-L124 HydrophobicContact CB-CD1 3.77Å; N100-L124 WeakPolarHBondContact O-CD1 3.3Å
101V98.8Very high95.8Very high2 Ų242 Ų421%0.01225%0.248CC..EExtended strand (participates in β ladder)trans-125.6137.8176.6173.30000107.5F40 L66 I88 T90 V103 V113 M114F40-V101 HydrophobicContact CE1-CG1 4.34Å; F40-V101 HydrophobicContact CE1-CG2 4.49Å; F40-V101 HydrophobicContact CZ-CG1 3.77Å; F40-V101 HydrophobicContact CZ-CG2 4.08Å; L66-V101 HydrophobicContact CD1-CG1 3.99Å; I88-V101 HydrophobicContact CB-CB 3.92Å; I88-V101 HydrophobicContact CB-CG1 4.3Å; I88-V101 HydrophobicContact CG2-CB 4.09Å; I88-V101 PolarHBondContact N-O 2.67Å; I88-V101 PolarHBondContact O-N 2.68Å; T90-V101 HydrophobicContact CG2-CG2 4.12Å; V101-V103 HydrophobicContact CG1-CG2 4.43Å; V101-V113 CarbonylContact C-O 3.57Å; V101-V113 VanDerWaalsContact CA-O 3.23Å; V101-V113 WeakPolarHBondContact CA-O 3.33Å; V101-M114 HydrophobicContact CG2-CB 4.01Å; V101-M114 HydrophobicContact CG2-CE 3.79Å; V101-M114 HydrophobicContact CG2-CG 3.75Å; V101-M114 HydrophobicContact CG2-SD 4.45Å
102A98.8Very high95.9Very high1 Ų138 Ų381%0.00823%0.231CC..EExtended strand (participates in β ladder)trans-119.9142.816900000110M86 V113 L124 N125 A128M86-A102 WeakPolarHBondContact O-CA 3.5Å; A102-V113 HydrophobicContact CB-CG2 3.87Å; A102-V113 PolarHBondContact N-O 2.82Å; A102-V113 PolarHBondContact O-N 2.98Å; A102-L124 VanDerWaalsContact CB-C 3.5Å; A102-L124 HydrophobicContact CB-CB 3.86Å; A102-N125 HydrophobicContact CB-CB 4.44Å; A102-A128 HydrophobicContact CB-CB 3.94Å
103V98.8Very high96.2Very high0 Ų035.7 Ų35.70%022%0.215CC..EExtended strand (participates in β ladder)trans-120.6128.2176.2-172.60000108.5L78 T85 M86 I88 V101 L110 V111 F112L78-V103 HydrophobicContact CD1-CG1 4.21Å; T85-V103 CarbonylContact C-O 3.53Å; T85-V103 WeakPolarHBondContact CA-O 3.38Å; T85-V103 WeakPolarHBondContact CB-O 3.43Å; M86-V103 HydrophobicContact CB-CB 4.37Å; M86-V103 HydrophobicContact CE-CB 4.01Å; M86-V103 HydrophobicContact CE-CG1 4.48Å; M86-V103 HydrophobicContact CE-CG2 3.8Å; M86-V103 PolarHBondContact N-O 3.32Å; M86-V103 PolarHBondContact O-N 3.15Å; I88-V103 HydrophobicContact CD1-CG2 3.85Å; V101-V103 HydrophobicContact CG1-CG2 4.43Å; V103-L110 HydrophobicContact CG1-CB 4.35Å; V103-L110 HydrophobicContact CG1-CD2 4.23Å; V103-V111 CarbonylContact C-O 3.56Å; V103-V111 VanDerWaalsContact CA-O 3.24Å; V103-V111 WeakPolarHBondContact CA-O 3.17Å; V103-F112 HydrophobicContact CB-CD1 4.49Å; V103-F112 HydrophobicContact CB-CE1 4.4Å; V103-F112 HydrophobicContact CG1-CD1 4.32Å; V103-F112 HydrophobicContact CG1-CE1 3.99Å; V103-F112 HydrophobicContact CG1-CE2 4.3Å; V103-F112 HydrophobicContact CG1-CZ 3.97Å; V103-F112 HydrophobicContact CG2-CD1 3.53Å; V103-F112 HydrophobicContact CG2-CE1 3.49Å; V103-F112 VanDerWaalsContact CG2-CE1 3.49Å; V103-F112 HydrophobicContact CG2-CG 4.36Å; V103-F112 HydrophobicContact CG2-CZ 4.31Å
104G98.7Very high96.8Very high0 Ų029.7 Ų29.70%019%0.186CC..EExtended strand (participates in β ladder)trans-113.6139.3173.500000110.9L110 V111G104-L110 CarbonylContact O-C 3.49Å; G104-L110 WeakPolarHBondContact O-CA 3.21Å; G104-V111 PolarHBondContact N-O 3.41Å; G104-V111 PolarHBondContact O-N 2.88Å
105R98.2Very high97.2Very high46 Ų4626.2 Ų26.217%0.17415%0.151CC..EExtended strand (participates in β ladder)trans-106.5122.9-179.3-171.5-175.675.188.3-0.5112.3Y25 L78 C84 L110 R136Y25-R105 HydrophobicContact CE1-CG 4.02Å; Y25-R105 WeakPolarHBondContact OH-CG 3.48Å; Y25-R105 PolarHBondContact OH-NH1 3.36Å; L78-R105 HydrophobicContact CD1-CB 3.69Å; L78-R105 HydrophobicContact CG-CB 3.91Å; L78-R105 PolarHBondContact O-NE 2.99Å; C84-R105 PolarHBondContact O-N 3.38Å; R105-L110 HydrophobicContact CB-CD2 3.99Å; R105-L110 HydrophobicContact CG-CD2 3.92Å; R105-R136 PolarHBondContact O-NH2 3.05Å
106A96.7Very high97.5Very high0 Ų027.5 Ų27.50%014%0.136CC..  trans-98.8-165.4164.600000110.7Y25 R108 V109 A132 L135 R136Y25-A106 PolarHBondContact OH-O 3.22Å; A106-R108 PolarHBondContact O-N 2.94Å; A106-V109 HydrophobicContact CB-CB 4.15Å; A106-V109 PolarHBondContact N-O 3.4Å; A106-A132 WeakPolarHBondContact CB-O 3.3Å; A106-L135 HydrophobicContact CB-CB 3.96Å; A106-R136 HydrophobicContact CB-CB 4.16Å
107G93.7Very high97.7Very high36 Ų3631.1 Ų31.137%0.37115%0.153SC..SBendtrans-61.9-42.2-177.200000114.4Y25 F140Y25-G107 PolarHBondContact OH-O 3.47Å; G107-F140 VanDerWaalsContact C-OXT 3.32Å; G107-F140 VanDerWaalsContact CA-O 3.24Å; G107-F140 WeakPolarHBondContact CA-O 3.33Å; G107-F140 WeakPolarHBondContact CA-OXT 3.22Å; G107-F140 PolarHBondContact N-O 3Å; G107-F140 PolarHBondContact N-OXT 2.88Å
108R95.1Very high97.7Very high142 Ų14232.4 Ų32.454%0.53618%0.175SC..SBendtrans-139.31.3-176.1-53.6-176.4-177.2-168.20.5112.5G24 Y25 C26 D27 A106 F140G24-R108 WeakPolarHBondContact CA-O 3.49Å; Y25-R108 VanDerWaalsContact CD1-O 3.24Å; Y25-R108 WeakPolarHBondContact CD1-O 3.41Å; Y25-R108 PolarHBondContact N-O 2.96Å; C26-R108 HydrophobicContact CB-CB 4.2Å; C26-R108 HydrophobicContact CB-CG 4.28Å; D27-R108 IonicContact OD2-NH1 3.94Å; A106-R108 PolarHBondContact O-N 2.94Å; R108-F140 WeakPolarHBondContact CA-OXT 3.45Å; R108-F140 VanDerWaalsContact CB-OXT 3.31Å; R108-F140 WeakPolarHBondContact CB-OXT 3.25Å; R108-F140 PolarHBondContact N-OXT 3.47Å
109V97.7Very high97.7Very high0 Ų031.6 Ų31.60%017%0.17CC..EExtended strand (participates in β ladder)trans-121.2138-175.4-170.30000111.5W4 I22 V23 Y25 W32 A106 L135 F140W4-V109 HydrophobicContact CH2-CG2 4.49Å; I22-V109 HydrophobicContact CG2-CG1 3.4Å; V23-V109 CarbonylContact O-C 3.46Å; V23-V109 WeakPolarHBondContact O-CA 3.24Å; Y25-V109 WeakPolarHBondContact CE1-O 3.46Å; W32-V109 HydrophobicContact CE3-CG2 4.23Å; W32-V109 HydrophobicContact CH2-CG2 3.7Å; W32-V109 HydrophobicContact CZ3-CB 4.45Å; W32-V109 HydrophobicContact CZ3-CG1 4.43Å; W32-V109 HydrophobicContact CZ3-CG2 3.32Å; A106-V109 HydrophobicContact CB-CB 4.15Å; A106-V109 PolarHBondContact N-O 3.4Å; V109-L135 HydrophobicContact CB-CD1 4.44Å; V109-L135 HydrophobicContact CG1-CD1 3.99Å; V109-F140 HydrophobicContact CG2-CB 3.93Å
110L98.7Very high97.6Very high0 Ų036 Ų360%019%0.192CC..EExtended strand (participates in β ladder)trans-105134.8164.2-64.2176000109.1V23 Y25 I48 I51 V52 L78 V103 G104 R105 F112V23-L110 HydrophobicContact CB-CB 4.39Å; V23-L110 PolarHBondContact N-O 2.96Å; V23-L110 PolarHBondContact O-N 3.4Å; Y25-L110 HydrophobicContact CD1-CD1 4.5Å; Y25-L110 HydrophobicContact CD1-CD2 4.05Å; Y25-L110 HydrophobicContact CD1-CG 3.67Å; Y25-L110 HydrophobicContact CE1-CD2 4.23Å; Y25-L110 HydrophobicContact CE1-CG 4.32Å; Y25-L110 HydrophobicContact CG-CG 4.16Å; I48-L110 HydrophobicContact CG2-CD1 4.42Å; I51-L110 HydrophobicContact CG2-CD1 3.89Å; V52-L110 HydrophobicContact CG1-CD1 3.91Å; V52-L110 HydrophobicContact CG1-CD2 4.38Å; L78-L110 HydrophobicContact CD2-CD2 4.44Å; V103-L110 HydrophobicContact CG1-CB 4.35Å; V103-L110 HydrophobicContact CG1-CD2 4.23Å; G104-L110 CarbonylContact O-C 3.49Å; G104-L110 WeakPolarHBondContact O-CA 3.21Å; R105-L110 HydrophobicContact CB-CD2 3.99Å; R105-L110 HydrophobicContact CG-CD2 3.92Å; L110-F112 HydrophobicContact CB-CD2 4.16Å; L110-F112 HydrophobicContact CB-CE2 3.47Å; L110-F112 VanDerWaalsContact CB-CE2 3.47Å; L110-F112 HydrophobicContact CB-CZ 4.21Å; L110-F112 HydrophobicContact CD1-CE2 4.01Å; L110-F112 HydrophobicContact CD1-CZ 4Å; L110-F112 HydrophobicContact CG-CE2 4.4Å
111V98.8Very high97.5Very high0 Ų035.5 Ų35.50%019%0.193CC..EExtended strand (participates in β ladder)trans-105.6120.9174.7-179.90000108.1L11 I22 V103 G104 M131 A132 L135L11-V111 HydrophobicContact CD1-CG1 3.63Å; L11-V111 HydrophobicContact CD2-CG1 4.31Å; I22-V111 HydrophobicContact CD1-CG1 4.35Å; I22-V111 HydrophobicContact CD1-CG2 4.14Å; V103-V111 CarbonylContact C-O 3.56Å; V103-V111 VanDerWaalsContact CA-O 3.24Å; V103-V111 WeakPolarHBondContact CA-O 3.17Å; G104-V111 PolarHBondContact N-O 3.41Å; G104-V111 PolarHBondContact O-N 2.88Å; V111-M131 HydrophobicContact CG1-CB 4.1Å; V111-M131 HydrophobicContact CG1-CG 3.95Å; V111-M131 HydrophobicContact CG2-CB 4.37Å; V111-M131 HydrophobicContact CG2-CG 3.9Å; V111-A132 HydrophobicContact CG2-CB 4.11Å; V111-L135 HydrophobicContact CG2-CD1 3.72Å
112F98.9Very high97.4Very high0 Ų037 Ų370%021%0.209CC..EExtended strand (participates in β ladder)trans-108.6137.9176.3-67.6-102.5000110.1A20 A21 V23 F40 I43 I51 L66 V103 L110A20-F112 CarbonylContact C-O 3.56Å; A20-F112 WeakPolarHBondContact CA-O 3.45Å; A20-F112 WeakPolarHBondContact CB-O 3.18Å; A21-F112 HydrophobicContact CB-CB 4.26Å; A21-F112 PolarHBondContact N-O 2.81Å; A21-F112 PolarHBondContact O-N 3.23Å; V23-F112 HydrophobicContact CB-CD2 4.23Å; V23-F112 HydrophobicContact CB-CE2 3.86Å; V23-F112 HydrophobicContact CG1-CE2 4.45Å; V23-F112 HydrophobicContact CG2-CD2 3.68Å; V23-F112 HydrophobicContact CG2-CE2 3.67Å; F40-F112 HydrophobicContact CD2-CB 3.67Å; F40-F112 HydrophobicContact CE2-CB 3.58Å; F40-F112 HydrophobicContact CG-CB 4.31Å; F40-F112 HydrophobicContact CZ-CB 4.11Å; I43-F112 HydrophobicContact CD1-CD1 4.2Å; I43-F112 HydrophobicContact CD1-CE1 4.14Å; I43-F112 HydrophobicContact CD1-CG 4.45Å; I43-F112 HydrophobicContact CD1-CZ 4.31Å; I51-F112 HydrophobicContact CD1-CE1 3.71Å; I51-F112 HydrophobicContact CD1-CZ 3.57Å; L66-F112 HydrophobicContact CD1-CD1 4.4Å; L66-F112 HydrophobicContact CD1-CE1 4.44Å; L66-F112 HydrophobicContact CD2-CD1 4.44Å; L66-F112 HydrophobicContact CD2-CE1 3.76Å; V103-F112 HydrophobicContact CB-CD1 4.49Å; V103-F112 HydrophobicContact CB-CE1 4.4Å; V103-F112 HydrophobicContact CG1-CD1 4.32Å; V103-F112 HydrophobicContact CG1-CE1 3.99Å; V103-F112 HydrophobicContact CG1-CE2 4.3Å; V103-F112 HydrophobicContact CG1-CZ 3.97Å; V103-F112 HydrophobicContact CG2-CD1 3.53Å; V103-F112 HydrophobicContact CG2-CE1 3.49Å; V103-F112 VanDerWaalsContact CG2-CE1 3.49Å; V103-F112 HydrophobicContact CG2-CG 4.36Å; V103-F112 HydrophobicContact CG2-CZ 4.31Å; L110-F112 HydrophobicContact CB-CD2 4.16Å; L110-F112 HydrophobicContact CB-CE2 3.47Å; L110-F112 VanDerWaalsContact CB-CE2 3.47Å; L110-F112 HydrophobicContact CB-CZ 4.21Å; L110-F112 HydrophobicContact CD1-CE2 4.01Å; L110-F112 HydrophobicContact CD1-CZ 4Å; L110-F112 HydrophobicContact CG-CE2 4.4Å
113V98.8Very high97.2Very high0 Ų039.2 Ų39.20%023%0.232CC..EExtended strand (participates in β ladder)trans-138.2133169.4-66.40000110.3L11 E19 A20 V101 A102 L124 K127 A128L11-V113 HydrophobicContact CB-CG1 4.16Å; L11-V113 HydrophobicContact CD1-CG1 4.04Å; L11-V113 HydrophobicContact CD2-CG1 3.86Å; L11-V113 HydrophobicContact CG-CG1 4.24Å; E19-V113 WeakPolarHBondContact O-CA 3.38Å; A20-V113 HydrophobicContact CB-CG1 4.1Å; V101-V113 CarbonylContact C-O 3.57Å; V101-V113 VanDerWaalsContact CA-O 3.23Å; V101-V113 WeakPolarHBondContact CA-O 3.33Å; A102-V113 HydrophobicContact CB-CG2 3.87Å; A102-V113 PolarHBondContact N-O 2.82Å; A102-V113 PolarHBondContact O-N 2.98Å; V113-L124 HydrophobicContact CG2-CB 4.03Å; V113-L124 HydrophobicContact CG2-CD2 4.25Å; V113-K127 HydrophobicContact CG1-CD 4.07Å; V113-K127 HydrophobicContact CG1-CG 4.46Å; V113-A128 HydrophobicContact CG2-CB 4.01Å
114M98.8Very high97.2Very high7 Ų739.2 Ų39.23%0.03423%0.232CC..EExtended strand (participates in β ladder)trans-112.6124.9172.1-171.2179.1-57.800108.8C17 Q18 E19 F40 T90 Y99 V101C17-M114 CarbonylContact C-O 2.98Å; C17-M114 VanDerWaalsContact CA-O 3.22Å; C17-M114 WeakPolarHBondContact CA-O 3.46Å; Q18-M114 HydrophobicContact CG-CB 4.16Å; Q18-M114 HydrophobicContact CG-CG 3.96Å; Q18-M114 HydrophobicContact CG-SD 4.04Å; Q18-M114 PolarHBondContact N-O 2.84Å; E19-M114 HydrophobicContact CB-CB 4.16Å; E19-M114 PolarHBondContact N-O 3.49Å; E19-M114 PolarHBondContact O-N 3.2Å; F40-M114 HydrophobicContact CD1-CE 4.47Å; F40-M114 HydrophobicContact CE1-CE 3.62Å; F40-M114 HydrophobicContact CE2-CB 3.97Å; F40-M114 HydrophobicContact CZ-CB 3.74Å; F40-M114 HydrophobicContact CZ-CE 3.73Å; T90-M114 HydrophobicContact CG2-CE 4.04Å; Y99-M114 HydrophobicContact CD2-SD 3.78Å; Y99-M114 HydrophobicContact CG-CG 4.32Å; Y99-M114 HydrophobicContact CG-SD 3.99Å; V101-M114 HydrophobicContact CG2-CB 4.01Å; V101-M114 HydrophobicContact CG2-CE 3.79Å; V101-M114 HydrophobicContact CG2-CG 3.75Å; V101-M114 HydrophobicContact CG2-SD 4.45Å
115G98.6Very high97.2Very high0 Ų040.3 Ų40.30%024%0.238CC..EExtended strand (participates in β ladder)trans-74.4152.9175.200000111.8C16 Q18 N100 L124C16-G115 WeakPolarHBondContact O-CA 3.39Å; Q18-G115 PolarHBondContact NE2-O 2.79Å; N100-G115 PolarHBondContact O-N 3.48Å; G115-L124 VanDerWaalsContact N-CD1 3.32Å
116K97.7Very high97.2Very high100 Ų10045.4 Ų45.444%0.43526%0.261SS..PPolyproline II helixtrans-59167.7164.5-70178-178.6170.10110.9G15 C16 Q18 G118 V119G15-K116 VanDerWaalsContact O-CD 3.27Å; G15-K116 WeakPolarHBondContact O-CD 3.19Å; G15-K116 WeakPolarHBondContact O-CE 3.23Å; G15-K116 PolarHBondContact O-NZ 2.84Å; C16-K116 PolarHBondContact O-N 3.46Å; Q18-K116 HydrophobicContact CB-CG 3.87Å; K116-G118 PolarHBondContact O-N 2.78Å; K116-V119 HydrophobicContact CB-CG2 3.99Å; K116-V119 WeakPolarHBondContact O-CB 3.38Å; K116-V119 WeakPolarHBondContact O-CG2 3.33Å; K116-V119 PolarHBondContact O-N 2.81Å
117E96Very high97.2Very high138 Ų13847.1 Ų47.165%0.64527%0.268SS*.THydrogen-bonded Turntrans-51.4134.4174.1-165.9172.7167.200111.3P97 Y99 V119P97-E117 HydrophobicContact CB-CG 4.26Å; Y99-E117 HydrophobicContact CE1-CB 4.03Å; E117-V119 PolarHBondContact O-N 3.41Å
118G94.8Very high97.5Very high78 Ų7845.4 Ų45.480%0.80425%0.251SS*.THydrogen-bonded Turntrans78.2-9.7-178.300000115.9K116 H120K116-G118 PolarHBondContact O-N 2.78Å; G118-H120 PolarHBondContact O-N 3.08Å
119V97.7Very high97.6Very high35 Ų3542.2 Ų42.221%0.21224%0.239CC..  trans-71.3124.7179.1175.50000111C16 N100 K116 E117 L124C16-V119 HydrophobicContact CB-CG1 4.41Å; C16-V119 WeakPolarHBondContact O-CG2 3.37Å; N100-V119 PolarHBondContact ND2-O 3.13Å; K116-V119 HydrophobicContact CB-CG2 3.99Å; K116-V119 WeakPolarHBondContact O-CB 3.38Å; K116-V119 WeakPolarHBondContact O-CG2 3.33Å; K116-V119 PolarHBondContact O-N 2.81Å; E117-V119 PolarHBondContact O-N 3.41Å; V119-L124 HydrophobicContact CG1-CD1 4.34Å; V119-L124 HydrophobicContact CG1-CD2 4.1Å; V119-L124 HydrophobicContact CG1-CG 4.07Å
120H95.4Very high97.7Very high147 Ų14745.6 Ų45.668%0.68126%0.263SS*.  trans-73.8137.2-175.5-168.5-94.5000112.8G118 G122 G123G118-H120 PolarHBondContact O-N 3.08Å; H120-G122 VanDerWaalsContact C-N 3.31Å; H120-G122 PolarHBondContact ND1-N 2.99Å; H120-G122 PolarHBondContact O-N 2.76Å; H120-G123 PolarHBondContact O-N 2.88Å
121G96.3Very high97.6Very high14 Ų1446.2 Ų46.214%0.14427%0.266CS..Hα-helixtrans-58.4-35.8-175.400000114.6G123 L124 N125G121-G123 VanDerWaalsContact C-N 3.26Å; G121-G123 PolarHBondContact O-N 2.79Å; G121-L124 WeakPolarHBondContact O-CB 3.44Å; G121-L124 PolarHBondContact O-N 2.8Å; G121-L124 VanDerWaalsContact O-N 3.07Å; G121-N125 PolarHBondContact O-N 2.91Å
122G96.6Very high97.6Very high34 Ų3446.2 Ų46.235%0.35127%0.266SS..Hα-helixtrans-60.2-31.2-179.700000114.6H120 K126H120-G122 VanDerWaalsContact C-N 3.31Å; H120-G122 PolarHBondContact ND1-N 2.99Å; H120-G122 PolarHBondContact O-N 2.76Å; G122-K126 WeakPolarHBondContact O-CG 3.39Å; G122-K126 PolarHBondContact O-N 2.85Å
123G96.3Very high97.6Very high47 Ų4750 Ų5049%0.48528%0.283SS..Hα-helixtrans-72.7-41.2174.100000112.3H120 G121 K126 K127H120-G123 PolarHBondContact O-N 2.88Å; G121-G123 VanDerWaalsContact C-N 3.26Å; G121-G123 PolarHBondContact O-N 2.79Å; G123-K126 PolarHBondContact O-N 3.07Å; G123-K127 PolarHBondContact O-N 3.23Å; G123-K127 VanDerWaalsContact O-N 3.17Å
124L98.2Very high97.5Very high0 Ų056 Ų560%031%0.306CS..Hα-helixtrans-64.1-41.7175.8-63.1173.3000111.8N100 A102 V113 G115 V119 G121 K126 K127 A128N100-L124 HydrophobicContact CB-CD1 3.77Å; N100-L124 WeakPolarHBondContact O-CD1 3.3Å; A102-L124 VanDerWaalsContact CB-C 3.5Å; A102-L124 HydrophobicContact CB-CB 3.86Å; V113-L124 HydrophobicContact CG2-CB 4.03Å; V113-L124 HydrophobicContact CG2-CD2 4.25Å; G115-L124 VanDerWaalsContact N-CD1 3.32Å; V119-L124 HydrophobicContact CG1-CD1 4.34Å; V119-L124 HydrophobicContact CG1-CD2 4.1Å; V119-L124 HydrophobicContact CG1-CG 4.07Å; G121-L124 WeakPolarHBondContact O-CB 3.44Å; G121-L124 PolarHBondContact O-N 2.8Å; G121-L124 VanDerWaalsContact O-N 3.07Å; L124-K126 PolarHBondContact O-N 2.74Å; L124-K127 WeakPolarHBondContact O-CB 3.46Å; L124-K127 PolarHBondContact O-N 3.2Å; L124-K127 VanDerWaalsContact O-N 3.15Å; L124-A128 PolarHBondContact O-N 2.88Å
125N98.6Very high97.4Very high23 Ų2355.7 Ų55.712%0.12331%0.305CS..Hα-helixtrans-56.2-52176.3-177.7-75.2000111.1T85 D87 A102 G121 K127 A128 Y129T85-N125 WeakPolarHBondContact CB-ND2 2.99Å; T85-N125 PolarHBondContact OG1-ND2 3.32Å; D87-N125 WeakPolarHBondContact OD1-CB 3.22Å; D87-N125 PolarHBondContact OD1-ND2 3.37Å; A102-N125 HydrophobicContact CB-CB 4.44Å; G121-N125 PolarHBondContact O-N 2.91Å; N125-K127 PolarHBondContact O-N 2.82Å; N125-A128 PolarHBondContact O-N 3.45Å; N125-Y129 VanDerWaalsContact O-CB 3.3Å; N125-Y129 WeakPolarHBondContact O-CB 3.44Å; N125-Y129 PolarHBondContact O-N 3.46Å
126K97.8Very high97.2Very high152 Ų15259.1 Ų59.166%0.66132%0.317SS*.Hα-helixtrans-57.3-38.7177.2-72.1178.6-179.5-177.50112.2G122 G123 L124 S130G122-K126 WeakPolarHBondContact O-CG 3.39Å; G122-K126 PolarHBondContact O-N 2.85Å; G123-K126 PolarHBondContact O-N 3.07Å; L124-K126 PolarHBondContact O-N 2.74Å; K126-S130 WeakPolarHBondContact O-CB 3.36Å; K126-S130 PolarHBondContact O-N 3.08Å; K126-S130 PolarHBondContact O-OG 3.2Å
127K97.7Very high97.1Very high36 Ų3659.4 Ų59.416%0.15732%0.324CS..Hα-helixtrans-66.4-50.9177.9-178.8-175.4-73.9-87.40111.8L11 D14 C16 V113 G123 L124 N125 Y129 S130 M131L11-K127 HydrophobicContact CD2-CD 3.96Å; L11-K127 HydrophobicContact CD2-CG 3.6Å; L11-K127 PolarHBondContact O-NZ 2.76Å; D14-K127 IonicContact OD1-NZ 2.92Å; D14-K127 PolarHBondContact OD1-NZ 3.11Å; D14-K127 VanDerWaalsContact OD2-CE 3.25Å; D14-K127 WeakPolarHBondContact OD2-CE 3.09Å; D14-K127 IonicContact OD2-NZ 2.94Å; D14-K127 PolarHBondContact OD2-NZ 2.97Å; C16-K127 WeakPolarHBondContact SG-CE 3.27Å; V113-K127 HydrophobicContact CG1-CD 4.07Å; V113-K127 HydrophobicContact CG1-CG 4.46Å; G123-K127 PolarHBondContact O-N 3.23Å; G123-K127 VanDerWaalsContact O-N 3.17Å; L124-K127 WeakPolarHBondContact O-CB 3.46Å; L124-K127 PolarHBondContact O-N 3.2Å; L124-K127 VanDerWaalsContact O-N 3.15Å; N125-K127 PolarHBondContact O-N 2.82Å; K127-Y129 VanDerWaalsContact C-N 3.31Å; K127-Y129 PolarHBondContact O-N 3.4Å; K127-S130 PolarHBondContact O-N 2.83Å; K127-M131 PolarHBondContact O-N 2.64Å; K127-M131 VanDerWaalsContact O-N 3.1Å
128A98.7Very high97.1Very high0 Ų055.5 Ų55.50%031%0.312CS..Hα-helixtrans-59-44.2176.700000111.4A102 V113 L124 N125 A132A102-A128 HydrophobicContact CB-CB 3.94Å; V113-A128 HydrophobicContact CG2-CB 4.01Å; L124-A128 PolarHBondContact O-N 2.88Å; N125-A128 PolarHBondContact O-N 3.45Å; A128-A132 WeakPolarHBondContact O-CB 3.35Å; A128-A132 PolarHBondContact O-N 2.8Å
129Y98.6Very high96.9Very high75 Ų7554.9 Ų54.929%0.29431%0.306SS..Hα-helixtrans-56.5-52.3175.1177-103.3000112.2G82 D83 T85 N125 K127 M131 A132 K133G82-Y129 WeakPolarHBondContact O-CE2 3.49Å; G82-Y129 PolarHBondContact O-OH 3.17Å; G82-Y129 VanDerWaalsContact O-OH 3.1Å; D83-Y129 WeakPolarHBondContact O-CD2 3.31Å; D83-Y129 VanDerWaalsContact O-CE2 3.32Å; D83-Y129 WeakPolarHBondContact O-CE2 3.31Å; T85-Y129 HydrophobicContact CG2-CD2 4.15Å; T85-Y129 HydrophobicContact CG2-CG 4.48Å; N125-Y129 VanDerWaalsContact O-CB 3.3Å; N125-Y129 WeakPolarHBondContact O-CB 3.44Å; N125-Y129 PolarHBondContact O-N 3.46Å; K127-Y129 VanDerWaalsContact C-N 3.31Å; K127-Y129 PolarHBondContact O-N 3.4Å; Y129-M131 VanDerWaalsContact C-N 3.35Å; Y129-M131 PolarHBondContact O-N 3.42Å; Y129-A132 PolarHBondContact O-N 2.93Å; Y129-K133 HydrophobicContact CE1-CD 4.26Å; Y129-K133 VanDerWaalsContact O-CB 3.31Å; Y129-K133 WeakPolarHBondContact O-CB 3.29Å; Y129-K133 PolarHBondContact O-N 2.86Å
130S98.2Very high96.5Very high71 Ų7156.1 Ų56.150%0.49731%0.308SS..Hα-helixtrans-63.4-42.8-174-58.50000111.2K126 K127 K133 Y134K126-S130 WeakPolarHBondContact O-CB 3.36Å; K126-S130 PolarHBondContact O-N 3.08Å; K126-S130 PolarHBondContact O-OG 3.2Å; K127-S130 PolarHBondContact O-N 2.83Å; S130-K133 PolarHBondContact O-N 2.8Å; S130-Y134 PolarHBondContact O-N 3.31Å
131M98.2Very high96.5Very high13 Ų1351.6 Ų51.66%0.06429%0.29CS..Hα-helixtrans-67.6-45.7176-177.559.775.200111.9Y7 N10 L11 V111 K127 Y129 K133 Y134 L135Y7-M131 HydrophobicContact CD1-CE 4.13Å; Y7-M131 HydrophobicContact CD1-SD 3.65Å; Y7-M131 HydrophobicContact CE1-SD 4.45Å; Y7-M131 HydrophobicContact CG-SD 4.39Å; N10-M131 HydrophobicContact CB-CE 4.2Å; N10-M131 WeakPolarHBondContact OD1-CE 3.24Å; L11-M131 HydrophobicContact CD1-CG 4.3Å; L11-M131 HydrophobicContact CD2-CB 3.82Å; L11-M131 HydrophobicContact CD2-CE 4.06Å; L11-M131 HydrophobicContact CD2-CG 4.06Å; L11-M131 HydrophobicContact CG-CE 3.98Å; L11-M131 HydrophobicContact CG-CG 4.39Å; V111-M131 HydrophobicContact CG1-CB 4.1Å; V111-M131 HydrophobicContact CG1-CG 3.95Å; V111-M131 HydrophobicContact CG2-CB 4.37Å; V111-M131 HydrophobicContact CG2-CG 3.9Å; K127-M131 PolarHBondContact O-N 2.64Å; K127-M131 VanDerWaalsContact O-N 3.1Å; Y129-M131 VanDerWaalsContact C-N 3.35Å; Y129-M131 PolarHBondContact O-N 3.42Å; M131-K133 VanDerWaalsContact C-N 3.27Å; M131-K133 PolarHBondContact O-N 2.93Å; M131-Y134 PolarHBondContact O-N 3.33Å; M131-L135 HydrophobicContact CG-CD1 4.29Å; M131-L135 WeakPolarHBondContact O-CG 3.3Å; M131-L135 PolarHBondContact O-N 2.82Å; M131-L135 HydrophobicContact SD-CG 4.43Å
132A98.3Very high96.5Very high0 Ų053.6 Ų53.60%030%0.297CS..Hα-helixtrans-62.5-36.2177.200000112A106 V111 A128 Y129 R136A106-A132 WeakPolarHBondContact CB-O 3.3Å; V111-A132 HydrophobicContact CG2-CB 4.11Å; A128-A132 WeakPolarHBondContact O-CB 3.35Å; A128-A132 PolarHBondContact O-N 2.8Å; Y129-A132 PolarHBondContact O-N 2.93Å; A132-R136 VanDerWaalsContact O-CB 3.31Å; A132-R136 WeakPolarHBondContact O-CB 3.26Å; A132-R136 PolarHBondContact O-N 3.38Å
133K98.1Very high96.5Very high80 Ų8054.7 Ų54.735%0.34829%0.294SS..Hα-helixtrans-63.3-49.1172.9174.9168.9169.9460111.6Y129 S130 M131 L135 R136 D137Y129-K133 HydrophobicContact CE1-CD 4.26Å; Y129-K133 VanDerWaalsContact O-CB 3.31Å; Y129-K133 WeakPolarHBondContact O-CB 3.29Å; Y129-K133 PolarHBondContact O-N 2.86Å; S130-K133 PolarHBondContact O-N 2.8Å; M131-K133 VanDerWaalsContact C-N 3.27Å; M131-K133 PolarHBondContact O-N 2.93Å; K133-L135 VanDerWaalsContact C-N 3.32Å; K133-L135 PolarHBondContact O-N 2.98Å; K133-R136 PolarHBondContact O-N 3.24Å; K133-D137 IonicContact NZ-OD1 3.63Å; K133-D137 PolarHBondContact NZ-OD1 3.25Å; K133-D137 IonicContact NZ-OD2 2.76Å; K133-D137 PolarHBondContact NZ-OD2 3.26Å; K133-D137 WeakPolarHBondContact O-CB 3.38Å; K133-D137 PolarHBondContact O-N 3.37Å
134Y97.7Very high96.5Very high127 Ų12755.1 Ų55.150%0.49828%0.283SS..Hα-helixtrans-56.7-46.1176.6171.5-92.1000112.1Y7 S130 M131 D137 S138Y7-Y134 HydrophobicContact CE1-CD1 4.18Å; Y7-Y134 AromaticContact CE1-CE1 3.69Å; Y7-Y134 HydrophobicContact CE1-CE1 3.69Å; S130-Y134 PolarHBondContact O-N 3.31Å; M131-Y134 PolarHBondContact O-N 3.33Å; Y134-D137 PolarHBondContact O-N 2.81Å; Y134-S138 WeakPolarHBondContact O-CB 3.48Å; Y134-S138 PolarHBondContact O-N 2.82Å; Y134-S138 PolarHBondContact O-OG 2.87Å
135L96.6Very high96.4Very high0 Ų058.6 Ų58.60%030%0.301CS..Hα-helixtrans-62.6-43.4178.1-69.9175.4000111.6W4 Y7 I22 A106 V109 V111 M131 K133 S138 G139 F140W4-L135 HydrophobicContact CZ3-CD2 4.08Å; Y7-L135 HydrophobicContact CD1-CD2 4.24Å; Y7-L135 HydrophobicContact CE1-CD2 3.87Å; Y7-L135 HydrophobicContact CE2-CD2 4.25Å; I22-L135 HydrophobicContact CD1-CD1 4.47Å; A106-L135 HydrophobicContact CB-CB 3.96Å; V109-L135 HydrophobicContact CB-CD1 4.44Å; V109-L135 HydrophobicContact CG1-CD1 3.99Å; V111-L135 HydrophobicContact CG2-CD1 3.72Å; M131-L135 HydrophobicContact CG-CD1 4.29Å; M131-L135 WeakPolarHBondContact O-CG 3.3Å; M131-L135 PolarHBondContact O-N 2.82Å; M131-L135 HydrophobicContact SD-CG 4.43Å; K133-L135 VanDerWaalsContact C-N 3.32Å; K133-L135 PolarHBondContact O-N 2.98Å; L135-S138 CarbonylContact O-C 3.5Å; L135-S138 WeakPolarHBondContact O-CA 3.24Å; L135-S138 WeakPolarHBondContact O-CB 3.21Å; L135-S138 PolarHBondContact O-N 3.04Å; L135-S138 VanDerWaalsContact O-N 3.15Å; L135-G139 PolarHBondContact O-N 3.35Å; L135-F140 HydrophobicContact CB-CB 4.29Å; L135-F140 HydrophobicContact CD2-CD2 4.28Å; L135-F140 WeakPolarHBondContact O-CB 3.47Å; L135-F140 PolarHBondContact O-N 3.05Å
136R94.9Very high96.3Very high71 Ų7160.9 Ų60.927%0.26831%0.313SS..Hα-helixtrans-61.6-46.7176.8-166.8-172.9-46.81063.1112.4R105 A106 A132 K133 S138 G139 F140R105-R136 PolarHBondContact O-NH2 3.05Å; A106-R136 HydrophobicContact CB-CB 4.16Å; A132-R136 VanDerWaalsContact O-CB 3.31Å; A132-R136 WeakPolarHBondContact O-CB 3.26Å; A132-R136 PolarHBondContact O-N 3.38Å; K133-R136 PolarHBondContact O-N 3.24Å; R136-S138 PolarHBondContact O-N 3.01Å; R136-G139 PolarHBondContact O-N 3Å; R136-F140 WeakPolarHBondContact CA-O 3.32Å
137D95.6Very high96.2Very high106 Ų10654.4 Ų54.457%0.56729%0.288SS*.Hα-helixtrans-66.7-23.1178.5-63.3-11.5000111.3K133 Y134 G139K133-D137 IonicContact NZ-OD1 3.63Å; K133-D137 PolarHBondContact NZ-OD1 3.25Å; K133-D137 IonicContact NZ-OD2 2.76Å; K133-D137 PolarHBondContact NZ-OD2 3.26Å; K133-D137 WeakPolarHBondContact O-CB 3.38Å; K133-D137 PolarHBondContact O-N 3.37Å; Y134-D137 PolarHBondContact O-N 2.81Å; D137-G139 VanDerWaalsContact C-N 3.3Å
138S94.4Very high96.1Very high56 Ų5655.8 Ų55.839%0.39230%0.298SS..THydrogen-bonded Turntrans-84.72.6173-55.40000113.7Y134 L135 R136Y134-S138 WeakPolarHBondContact O-CB 3.48Å; Y134-S138 PolarHBondContact O-N 2.82Å; Y134-S138 PolarHBondContact O-OG 2.87Å; L135-S138 CarbonylContact O-C 3.5Å; L135-S138 WeakPolarHBondContact O-CA 3.24Å; L135-S138 WeakPolarHBondContact O-CB 3.21Å; L135-S138 PolarHBondContact O-N 3.04Å; L135-S138 VanDerWaalsContact O-N 3.15Å; R136-S138 PolarHBondContact O-N 3.01Å
139G91Very high95.9Very high66 Ų6660.5 Ų60.568%0.6832%0.323SS*.THydrogen-bonded Turntrans87.711.617700000115.5L135 R136 D137L135-G139 PolarHBondContact O-N 3.35Å; R136-G139 PolarHBondContact O-N 3Å; D137-G139 VanDerWaalsContact C-N 3.3Å
140F88.7Confident95.6Very high61 Ų6159.2 Ų59.227%0.26833%0.326SS..  trans-93.60175.1-65.4-74.4000113.2W4 G107 R108 V109 L135 R136W4-F140 AromaticContact CH2-CD1 3.61Å; W4-F140 HydrophobicContact CH2-CD1 3.61Å; W4-F140 HydrophobicContact CH2-CD2 4.3Å; W4-F140 AromaticContact CH2-CE1 3.59Å; W4-F140 HydrophobicContact CH2-CE1 3.59Å; W4-F140 HydrophobicContact CH2-CE2 4.29Å; W4-F140 AromaticContact CH2-CG 3.96Å; W4-F140 HydrophobicContact CH2-CG 3.96Å; W4-F140 AromaticContact CH2-CZ 3.94Å; W4-F140 HydrophobicContact CH2-CZ 3.94Å; W4-F140 HydrophobicContact CZ2-CD1 4.16Å; W4-F140 AromaticContact CZ2-CE1 3.86Å; W4-F140 HydrophobicContact CZ2-CE1 3.86Å; W4-F140 HydrophobicContact CZ2-CZ 4.37Å; G107-F140 VanDerWaalsContact C-OXT 3.32Å; G107-F140 VanDerWaalsContact CA-O 3.24Å; G107-F140 WeakPolarHBondContact CA-O 3.33Å; G107-F140 WeakPolarHBondContact CA-OXT 3.22Å; G107-F140 PolarHBondContact N-O 3Å; G107-F140 PolarHBondContact N-OXT 2.88Å; R108-F140 WeakPolarHBondContact CA-OXT 3.45Å; R108-F140 VanDerWaalsContact CB-OXT 3.31Å; R108-F140 WeakPolarHBondContact CB-OXT 3.25Å; R108-F140 PolarHBondContact N-OXT 3.47Å; V109-F140 HydrophobicContact CG2-CB 3.93Å; L135-F140 HydrophobicContact CB-CB 4.29Å; L135-F140 HydrophobicContact CD2-CD2 4.28Å; L135-F140 WeakPolarHBondContact O-CB 3.47Å; L135-F140 PolarHBondContact O-N 3.05Å; R136-F140 WeakPolarHBondContact CA-O 3.32Å

Retrieved 140 of 140 residues in 196.3 ms (Link to these results)

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