A0A077ZAN0_TRITR Loading...

Bifunctional pyrimidine biosynthesis protein (Pyr ABCN)

AlphaFold DB , UniProt , Accession A0A077ZAN0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 451 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
1M93Very high96.4Very high83 Ų8383.1 Ų83.141%0.40940%0.396SS..  0-63.70-165.55172.100112.8E3 Q4 V5 D95 T98 L99M1-E3 VanDerWaalsContact C-N 3.28Å; M1-E3 PolarHBondContact O-N 3.37Å; M1-E3 VanDerWaalsContact O-N 3.12Å; M1-Q4 WeakPolarHBondContact O-CB 3.36Å; M1-Q4 PolarHBondContact O-N 3.44Å; M1-V5 PolarHBondContact O-N 2.82Å; M1-V5 VanDerWaalsContact O-N 3.16Å; M1-V5 HydrophobicContact SD-CG2 4.41Å; M1-D95 VanDerWaalsContact CE-CA 3.47Å; M1-D95 HydrophobicContact CE-CB 3.63Å; M1-D95 WeakPolarHBondContact CE-OD1 3.4Å; M1-T98 HydrophobicContact CE-CG2 4.16Å; M1-T98 HydrophobicContact CG-CG2 3.81Å; M1-T98 HydrophobicContact SD-CG2 3.75Å; M1-L99 HydrophobicContact CE-CG 4.29Å; M1-L99 HydrophobicContact SD-CD2 3.48Å; M1-L99 WeakPolarHBondContact SD-CD2 3.32Å; M1-L99 HydrophobicContact SD-CG 3.86Å
2N93.5Very high96.4Very high131 Ų13177.7 Ų77.770%0.70137%0.368SS*.Hα-helixtrans-50.4-41.4-176.7-67-6.3000114.9Q4 V5 N6N2-Q4 PolarHBondContact O-N 3.1Å; N2-V5 PolarHBondContact O-N 3.01Å; N2-N6 PolarHBondContact O-N 3.43Å
3E95.9Very high96.4Very high156 Ų15680.1 Ų80.173%0.72938%0.379SS*.Hα-helixtrans-60.7-41.4176.1-173-175.7174.800113M1 N6 R7M1-E3 VanDerWaalsContact C-N 3.28Å; M1-E3 PolarHBondContact O-N 3.37Å; M1-E3 VanDerWaalsContact O-N 3.12Å; E3-N6 PolarHBondContact O-N 3.45Å; E3-R7 WeakPolarHBondContact O-CB 3.39Å; E3-R7 PolarHBondContact O-N 3.37Å
4Q96.9Very high96.3Very high26 Ų2679.1 Ų79.112%0.12138%0.382CS..Hα-helixtrans-66.2-41.4178.3-61.1-65.2-41.400110.8M1 N2 R7 L8 L74 L99M1-Q4 WeakPolarHBondContact O-CB 3.36Å; M1-Q4 PolarHBondContact O-N 3.44Å; N2-Q4 PolarHBondContact O-N 3.1Å; Q4-R7 PolarHBondContact O-N 2.72Å; Q4-L8 WeakPolarHBondContact O-CB 3.34Å; Q4-L8 PolarHBondContact O-N 3.39Å; Q4-L74 HydrophobicContact CB-CD2 4.33Å; Q4-L74 WeakPolarHBondContact O-CD2 3.28Å; Q4-L99 HydrophobicContact CB-CD2 3.72Å
5V96.6Very high96.1Very high27 Ų2775.1 Ų75.116%0.16437%0.366CS..Hα-helixtrans-64.3-40.7175.3176.10000111.4M1 N2 L8 K9 L99 A102M1-V5 PolarHBondContact O-N 2.82Å; M1-V5 VanDerWaalsContact O-N 3.16Å; M1-V5 HydrophobicContact SD-CG2 4.41Å; N2-V5 PolarHBondContact O-N 3.01Å; V5-L8 WeakPolarHBondContact O-CB 3.46Å; V5-L8 PolarHBondContact O-N 3.04Å; V5-K9 WeakPolarHBondContact O-CG 2.77Å; V5-K9 PolarHBondContact O-N 2.98Å; V5-L99 HydrophobicContact CG2-CD2 4.27Å; V5-A102 HydrophobicContact CG1-CB 4.28Å; V5-A102 HydrophobicContact CG2-CB 4.03Å
6N97.3Very high95.8Very high101 Ų10175.8 Ų75.854%0.5437%0.369SS..Hα-helixtrans-66.2-40.4175.9-72.8-16.1000112.1N2 E3 L8 K9 K10N2-N6 PolarHBondContact O-N 3.43Å; E3-N6 PolarHBondContact O-N 3.45Å; N6-L8 VanDerWaalsContact C-N 3.3Å; N6-L8 PolarHBondContact O-N 3.01Å; N6-K9 PolarHBondContact O-N 3.34Å; N6-K10 PolarHBondContact O-N 3.04Å
7R97.3Very high95.6Very high121 Ų12180.8 Ų80.846%0.45739%0.391SS..Hα-helixtrans-59.9-42.5174.2-176.7-179.4176.5-179.6-2.5111.5E3 Q4 K10 A11 T73E3-R7 WeakPolarHBondContact O-CB 3.39Å; E3-R7 PolarHBondContact O-N 3.37Å; Q4-R7 PolarHBondContact O-N 2.72Å; R7-K10 PolarHBondContact O-N 3.26Å; R7-A11 WeakPolarHBondContact O-CB 3.44Å; R7-A11 PolarHBondContact O-N 3.24Å; R7-T73 PolarHBondContact NE-O 3.17Å; R7-T73 PolarHBondContact NH1-O 3.41Å; R7-T73 PolarHBondContact NH2-O 2.97Å
8L97.9Very high95.2Very high1 Ų182 Ų821%0.00540%0.404CS..Hα-helixtrans-61.2-48.6176.117661.2000112Q4 V5 N6 K10 A11 W12 F49 V51 C72 L74 A102 T103 L106Q4-L8 WeakPolarHBondContact O-CB 3.34Å; Q4-L8 PolarHBondContact O-N 3.39Å; V5-L8 WeakPolarHBondContact O-CB 3.46Å; V5-L8 PolarHBondContact O-N 3.04Å; N6-L8 VanDerWaalsContact C-N 3.3Å; N6-L8 PolarHBondContact O-N 3.01Å; L8-K10 VanDerWaalsContact C-N 3.34Å; L8-K10 PolarHBondContact O-N 3.48Å; L8-A11 PolarHBondContact O-N 3.3Å; L8-W12 PolarHBondContact O-N 3.42Å; L8-F49 HydrophobicContact CD1-CE1 3.88Å; L8-F49 HydrophobicContact CD1-CZ 4.18Å; L8-V51 HydrophobicContact CD1-CG2 3.95Å; L8-C72 HydrophobicContact CD1-CB 4.37Å; L8-L74 HydrophobicContact CB-CD1 4.33Å; L8-L74 HydrophobicContact CB-CD2 4.17Å; L8-L74 HydrophobicContact CD1-CD1 4.28Å; L8-L74 HydrophobicContact CD2-CD1 4.19Å; L8-A102 HydrophobicContact CD2-CB 4.1Å; L8-T103 HydrophobicContact CD1-CG2 4.39Å; L8-T103 WeakPolarHBondContact CD2-OG1 3.43Å; L8-L106 HydrophobicContact CD1-CD1 3.81Å; L8-L106 HydrophobicContact CD2-CD1 4.36Å; L8-L106 HydrophobicContact CG-CD1 3.88Å; L8-L106 HydrophobicContact CG-CD2 4.42Å
9K97.5Very high94.4Very high109 Ų10982.6 Ų82.647%0.47441%0.413SS..Hα-helixtrans-59.1-42.9176.7-72177.2178.4-177.10112.4V5 N6 W12 Q13 L106V5-K9 WeakPolarHBondContact O-CG 2.77Å; V5-K9 PolarHBondContact O-N 2.98Å; N6-K9 PolarHBondContact O-N 3.34Å; K9-W12 WeakPolarHBondContact O-CB 3.49Å; K9-W12 PolarHBondContact O-N 3.03Å; K9-Q13 WeakPolarHBondContact O-CG 3.49Å; K9-Q13 PolarHBondContact O-N 3.36Å; K9-L106 HydrophobicContact CG-CD2 4.06Å
10K97.3Very high93.8Very high143 Ų14380.2 Ų80.262%0.62241%0.409SS*.Hα-helixtrans-64.4-41.9177.1-172.9179.6179.7-179.70112N6 R7 L8 W12 Q13 T14N6-K10 PolarHBondContact O-N 3.04Å; R7-K10 PolarHBondContact O-N 3.26Å; L8-K10 VanDerWaalsContact C-N 3.34Å; L8-K10 PolarHBondContact O-N 3.48Å; K10-W12 VanDerWaalsContact C-N 3.33Å; K10-Q13 PolarHBondContact O-N 3.3Å; K10-T14 PolarHBondContact O-N 2.99Å; K10-T14 PolarHBondContact O-OG1 2.97Å
11A96.9Very high93.3Very high16 Ų1680.2 Ų80.213%0.13242%0.422CS..Hα-helixtrans-63.1-40.6176.800000111.7R7 L8 T14 A15 F49 C72R7-A11 WeakPolarHBondContact O-CB 3.44Å; R7-A11 PolarHBondContact O-N 3.24Å; L8-A11 PolarHBondContact O-N 3.3Å; A11-T14 PolarHBondContact O-N 2.97Å; A11-A15 WeakPolarHBondContact O-CB 3.45Å; A11-A15 PolarHBondContact O-N 3.44Å; A11-F49 HydrophobicContact CB-CZ 4.34Å; A11-C72 HydrophobicContact CB-CB 3.78Å
12W96.8Very high93.2Very high18 Ų1876.8 Ų76.87%0.06841%0.407CS..Hα-helixtrans-60.2-51.5173.8175.7-101.5000112.3L8 K9 K10 T14 A15 E16 A22 F49 L106 A107 F109L8-W12 PolarHBondContact O-N 3.42Å; K9-W12 WeakPolarHBondContact O-CB 3.49Å; K9-W12 PolarHBondContact O-N 3.03Å; K10-W12 VanDerWaalsContact C-N 3.33Å; W12-T14 VanDerWaalsContact C-N 3.28Å; W12-T14 PolarHBondContact O-N 3.39Å; W12-A15 WeakPolarHBondContact O-CB 3.45Å; W12-A15 PolarHBondContact O-N 3.34Å; W12-E16 HydrophobicContact CD2-CG 4.33Å; W12-E16 VanDerWaalsContact CE2-CD 3.46Å; W12-E16 HydrophobicContact CH2-CG 4.42Å; W12-E16 HydrophobicContact CZ2-CG 3.75Å; W12-E16 WeakPolarHBondContact CZ2-OE1 3.44Å; W12-E16 PolarHBondContact NE1-OE1 3.02Å; W12-E16 PolarHBondContact NE1-OE2 2.91Å; W12-E16 PolarHBondContact O-N 3.42Å; W12-A22 HydrophobicContact CH2-CB 4.25Å; W12-A22 WeakPolarHBondContact CH2-O 3.45Å; W12-A22 HydrophobicContact CZ3-CB 4.03Å; W12-F49 HydrophobicContact CB-CE2 4.36Å; W12-F49 HydrophobicContact CB-CZ 4.04Å; W12-F49 HydrophobicContact CE3-CB 4.26Å; W12-F49 AromaticContact CE3-CD1 3.88Å; W12-F49 HydrophobicContact CE3-CD1 3.88Å; W12-F49 AromaticContact CE3-CD2 3.73Å; W12-F49 HydrophobicContact CE3-CD2 3.73Å; W12-F49 HydrophobicContact CE3-CE1 4.09Å; W12-F49 AromaticContact CE3-CE2 3.95Å; W12-F49 HydrophobicContact CE3-CE2 3.95Å; W12-F49 AromaticContact CE3-CG 3.69Å; W12-F49 HydrophobicContact CE3-CG 3.69Å; W12-F49 HydrophobicContact CE3-CZ 4.12Å; W12-F49 HydrophobicContact CZ3-CB 3.87Å; W12-F49 HydrophobicContact CZ3-CD1 4.26Å; W12-F49 HydrophobicContact CZ3-CD2 4.11Å; W12-F49 AromaticContact CZ3-CG 3.83Å; W12-F49 HydrophobicContact CZ3-CG 3.83Å; W12-L106 HydrophobicContact CB-CD1 3.94Å; W12-L106 HydrophobicContact CB-CD2 4.07Å; W12-L106 HydrophobicContact CB-CG 4.49Å; W12-L106 HydrophobicContact CD2-CB 4.16Å; W12-L106 HydrophobicContact CD2-CD1 4.32Å; W12-L106 HydrophobicContact CE3-CD1 4.36Å; W12-L106 HydrophobicContact CG-CB 4.19Å; W12-L106 HydrophobicContact CG-CD1 4.14Å; W12-L106 HydrophobicContact CG-CD2 4.17Å; W12-L106 HydrophobicContact CG-CG 4.41Å; W12-A107 HydrophobicContact CH2-CB 3.82Å; W12-A107 HydrophobicContact CZ2-CB 3.61Å; W12-F109 HydrophobicContact CE3-CE1 4.41Å; W12-F109 HydrophobicContact CE3-CZ 4.42Å; W12-F109 AromaticContact CH2-CE1 3.91Å; W12-F109 HydrophobicContact CH2-CE1 3.91Å; W12-F109 HydrophobicContact CH2-CZ 4.39Å; W12-F109 AromaticContact CZ3-CE1 3.6Å; W12-F109 HydrophobicContact CZ3-CE1 3.6Å; W12-F109 HydrophobicContact CZ3-CZ 4.01Å
13Q95.7Very high93.3Very high109 Ų10973.5 Ų73.551%0.50939%0.389SS..Hα-helixtrans-55.8-43.5176.7-71.9171.9-24.200112.1K9 K10 A15 E16 E17K9-Q13 WeakPolarHBondContact O-CG 3.49Å; K9-Q13 PolarHBondContact O-N 3.36Å; K10-Q13 PolarHBondContact O-N 3.3Å; Q13-A15 VanDerWaalsContact C-N 3.33Å; Q13-A15 PolarHBondContact O-N 2.96Å; Q13-E16 PolarHBondContact O-N 2.85Å; Q13-E17 WeakPolarHBondContact O-CG 3.44Å; Q13-E17 PolarHBondContact O-N 3.49Å; Q13-E17 VanDerWaalsContact O-N 3.1Å
14T95.3Very high93.3Very high67 Ų6769.1 Ų69.141%0.41137%0.368SS..Hα-helixtrans-63.8-39177.6-520000111.6K10 A11 W12 E17 T18K10-T14 PolarHBondContact O-N 2.99Å; K10-T14 PolarHBondContact O-OG1 2.97Å; A11-T14 PolarHBondContact O-N 2.97Å; W12-T14 VanDerWaalsContact C-N 3.28Å; W12-T14 PolarHBondContact O-N 3.39Å; T14-E17 PolarHBondContact O-N 3.35Å; T14-T18 HydrophobicContact CG2-CG2 4.46Å; T14-T18 WeakPolarHBondContact O-CB 3.38Å; T14-T18 WeakPolarHBondContact O-CG2 3.33Å; T14-T18 PolarHBondContact O-N 3.46Å; T14-T18 PolarHBondContact O-OG1 2.94Å
15A92.9Very high93.4Very high18 Ų1867.9 Ų67.915%0.14936%0.362CS..Hα-helixtrans-66.3-43.7177.700000111.6A11 W12 Q13 E17 T18 V19 F49A11-A15 WeakPolarHBondContact O-CB 3.45Å; A11-A15 PolarHBondContact O-N 3.44Å; W12-A15 WeakPolarHBondContact O-CB 3.45Å; W12-A15 PolarHBondContact O-N 3.34Å; Q13-A15 VanDerWaalsContact C-N 3.33Å; Q13-A15 PolarHBondContact O-N 2.96Å; A15-E17 VanDerWaalsContact C-N 3.3Å; A15-E17 PolarHBondContact O-N 2.91Å; A15-T18 PolarHBondContact O-N 3.34Å; A15-T18 PolarHBondContact O-OG1 3.33Å; A15-V19 PolarHBondContact O-N 3.16Å; A15-F49 HydrophobicContact CB-CD2 3.97Å; A15-F49 HydrophobicContact CB-CE2 4Å
16E92.4Very high93.4Very high87 Ų8766.6 Ų66.641%0.40735%0.354SS..Hα-helixtrans-59.9-39.7176.2-71.2-170.1116.200112.3W12 Q13 G20W12-E16 HydrophobicContact CD2-CG 4.33Å; W12-E16 VanDerWaalsContact CE2-CD 3.46Å; W12-E16 HydrophobicContact CH2-CG 4.42Å; W12-E16 HydrophobicContact CZ2-CG 3.75Å; W12-E16 WeakPolarHBondContact CZ2-OE1 3.44Å; W12-E16 PolarHBondContact NE1-OE1 3.02Å; W12-E16 PolarHBondContact NE1-OE2 2.91Å; W12-E16 PolarHBondContact O-N 3.42Å; Q13-E16 PolarHBondContact O-N 2.85Å; E16-G20 WeakPolarHBondContact O-CA 3.32Å; E16-G20 PolarHBondContact O-N 3.12Å
17E92Very high93.5Very high160 Ų16061.8 Ų61.875%0.74833%0.329SS*.Hα-helixtrans-71.6-29.5179.2-72.3172.5-174.600113.7Q13 T14 A15Q13-E17 WeakPolarHBondContact O-CG 3.44Å; Q13-E17 PolarHBondContact O-N 3.49Å; Q13-E17 VanDerWaalsContact O-N 3.1Å; T14-E17 PolarHBondContact O-N 3.35Å; A15-E17 VanDerWaalsContact C-N 3.3Å; A15-E17 PolarHBondContact O-N 2.91Å
18T88.1Confident93.5Very high103 Ų10356 Ų5663%0.63231%0.307SS*.Hα-helixtrans-99.7-40.9-169.549.50000114.5T14 A15T14-T18 HydrophobicContact CG2-CG2 4.46Å; T14-T18 WeakPolarHBondContact O-CB 3.38Å; T14-T18 WeakPolarHBondContact O-CG2 3.33Å; T14-T18 PolarHBondContact O-N 3.46Å; T14-T18 PolarHBondContact O-OG1 2.94Å; A15-T18 PolarHBondContact O-N 3.34Å; A15-T18 PolarHBondContact O-OG1 3.33Å
19V81.1Confident93.4Very high94 Ų9456 Ų5657%0.5731%0.307SS*.THydrogen-bonded Turntrans-114.2-13-174.1-170.30000111.6A15 D46A15-V19 PolarHBondContact O-N 3.16Å; V19-D46 HydrophobicContact CG1-CB 3.86Å; V19-D46 WeakPolarHBondContact CG1-O 3.48Å
20G82.1Confident93.2Very high33 Ų3351 Ų5134%0.3429%0.285SS..  trans92.3-175.1-169.900000112E16 A22E16-G20 WeakPolarHBondContact O-CA 3.32Å; E16-G20 PolarHBondContact O-N 3.12Å; G20-A22 PolarHBondContact O-N 3.49Å; G20-A22 VanDerWaalsContact O-N 3.09Å
21A81.8Confident93Very high81 Ų8144.2 Ų44.267%0.66926%0.256SS*.  trans-69.8107.8-17500000111.4D23A21-D23 PolarHBondContact O-N 3.37Å
22A92.5Very high92.5Very high12 Ų1245 Ų4510%0.09927%0.265CS..  trans-65.2125.1167.400000109.8W12 G20 N47 F49W12-A22 HydrophobicContact CH2-CB 4.25Å; W12-A22 WeakPolarHBondContact CH2-O 3.45Å; W12-A22 HydrophobicContact CZ3-CB 4.03Å; G20-A22 PolarHBondContact O-N 3.49Å; G20-A22 VanDerWaalsContact O-N 3.09Å; A22-N47 WeakPolarHBondContact CA-O 3.35Å; A22-N47 WeakPolarHBondContact CB-O 3.47Å; A22-F49 HydrophobicContact CB-CB 3.92Å
23D94.7Very high92Very high62 Ų6249.3 Ų49.333%0.33228%0.284SS..  trans-100.4-9.7178.971.9-32.9000112.5A21 N47 F109 Q110 G111A21-D23 PolarHBondContact O-N 3.37Å; D23-N47 PolarHBondContact N-O 2.93Å; D23-N47 WeakPolarHBondContact OD1-CB 3.29Å; D23-N47 PolarHBondContact OD1-ND2 3.18Å; D23-F109 CarbonylContact O-C 3.52Å; D23-F109 WeakPolarHBondContact O-CA 3.14Å; D23-Q110 PolarHBondContact O-N 3.47Å; D23-G111 WeakPolarHBondContact O-CA 2.92Å; D23-G111 PolarHBondContact O-N 3.39Å
24K96.6Very high91.6Very high63 Ų6346.3 Ų46.327%0.27427%0.274SS..EExtended strand (participates in β ladder)trans-113.1146.4177.6-66.3179.3178.9-1800111.9N47 L48 F49 G112K24-N47 PolarHBondContact N-O 2.8Å; K24-N47 VanDerWaalsContact N-O 3.13Å; K24-L48 HydrophobicContact CB-CD1 3.51Å; K24-F49 PolarHBondContact O-N 3.18Å; K24-G112 WeakPolarHBondContact CA-O 3.4Å
25L97.7Very high91.3Very high1 Ų143.9 Ų43.91%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-117.6134.6175174.362.4000111.5V27 F49 T103 F109 G112 K113 Q114 F135L25-V27 HydrophobicContact CD1-CG2 4Å; L25-V27 HydrophobicContact CD2-CG2 4.17Å; L25-V27 HydrophobicContact CG-CG2 4.1Å; L25-F49 HydrophobicContact CD1-CD1 4.08Å; L25-F49 WeakPolarHBondContact CD1-O 3.21Å; L25-T103 HydrophobicContact CD1-CG2 3.4Å; L25-T103 HydrophobicContact CD2-CG2 3.87Å; L25-T103 HydrophobicContact CG-CG2 4.27Å; L25-F109 HydrophobicContact CB-CB 4.18Å; L25-F109 HydrophobicContact CB-CD1 3.69Å; L25-F109 HydrophobicContact CB-CD2 3.91Å; L25-F109 HydrophobicContact CB-CE1 3.96Å; L25-F109 HydrophobicContact CB-CE2 4.19Å; L25-F109 HydrophobicContact CB-CG 3.65Å; L25-F109 HydrophobicContact CB-CZ 4.2Å; L25-F109 HydrophobicContact CD1-CE1 4.44Å; L25-F109 HydrophobicContact CD1-CE2 4.48Å; L25-F109 HydrophobicContact CD1-CZ 4.18Å; L25-F109 HydrophobicContact CD2-CD2 3.94Å; L25-F109 HydrophobicContact CD2-CE2 3.86Å; L25-F109 HydrophobicContact CD2-CZ 4.37Å; L25-F109 HydrophobicContact CG-CD2 4.47Å; L25-F109 HydrophobicContact CG-CE2 4.4Å; L25-F109 HydrophobicContact CG-CZ 4.48Å; L25-G112 PolarHBondContact N-O 3.16Å; L25-K113 HydrophobicContact CB-CB 4.24Å; L25-K113 HydrophobicContact CB-CG 4.19Å; L25-K113 HydrophobicContact CD2-CB 4.45Å; L25-K113 HydrophobicContact CD2-CD 4.39Å; L25-K113 HydrophobicContact CD2-CG 4.38Å; L25-K113 CarbonylContact O-C 3.43Å; L25-K113 WeakPolarHBondContact O-CA 3.35Å; L25-Q114 PolarHBondContact O-N 2.91Å; L25-F135 HydrophobicContact CD2-CE1 3.82Å; L25-F135 HydrophobicContact CD2-CZ 3.88Å; L25-F135 HydrophobicContact CG-CE1 4.24Å
26L97.6Very high90.9Very high0 Ų047.6 Ų47.60%028%0.275CS..EExtended strand (participates in β ladder)trans-121.8125.6164.5177.877.6000109.4F44 L48 F49 A50 V51 Q114 I116 V356L26-F44 HydrophobicContact CD2-CD1 4.29Å; L26-F44 HydrophobicContact CD2-CE1 3.5Å; L26-F44 HydrophobicContact CD2-CE2 4.2Å; L26-F44 HydrophobicContact CD2-CZ 3.44Å; L26-F44 VanDerWaalsContact CD2-CZ 3.44Å; L26-L48 HydrophobicContact CB-CD1 3.94Å; L26-L48 HydrophobicContact CB-CD2 3.88Å; L26-L48 HydrophobicContact CB-CG 4.11Å; L26-L48 HydrophobicContact CD2-CD2 4.15Å; L26-F49 PolarHBondContact N-O 2.97Å; L26-A50 HydrophobicContact CB-CB 4.31Å; L26-A50 HydrophobicContact CD2-CB 4.11Å; L26-A50 CarbonylContact O-C 3.52Å; L26-A50 WeakPolarHBondContact O-CA 3.48Å; L26-V51 PolarHBondContact O-N 3.48Å; L26-Q114 CarbonylContact C-O 3.52Å; L26-Q114 WeakPolarHBondContact CA-O 3.48Å; L26-Q114 HydrophobicContact CD1-CB 3.71Å; L26-I116 HydrophobicContact CD1-CD1 3.43Å; L26-I116 VanDerWaalsContact CD1-CD1 3.43Å; L26-I116 HydrophobicContact CD1-CG1 3.88Å; L26-V356 HydrophobicContact CD1-CG1 4.01Å
27V98.3Very high90.5Very high0 Ų044.3 Ų44.30%026%0.261CS..EExtended strand (participates in β ladder)trans-114.5121.9166.4-176.90000108.6L25 V29 V51 I53 V100 T103 Q114 L115 I116 F135L25-V27 HydrophobicContact CD1-CG2 4Å; L25-V27 HydrophobicContact CD2-CG2 4.17Å; L25-V27 HydrophobicContact CG-CG2 4.1Å; V27-V29 HydrophobicContact CG1-CG2 4.25Å; V27-V51 CarbonylContact C-O 3.56Å; V27-V51 WeakPolarHBondContact CA-O 2.98Å; V27-V51 HydrophobicContact CG2-CB 4.49Å; V27-I53 HydrophobicContact CG1-CD1 3.66Å; V27-I53 HydrophobicContact CG1-CG1 4.07Å; V27-V100 HydrophobicContact CG1-CG2 4.15Å; V27-T103 HydrophobicContact CG2-CG2 3.96Å; V27-Q114 PolarHBondContact N-O 2.92Å; V27-L115 HydrophobicContact CB-CD1 3.75Å; V27-L115 HydrophobicContact CG1-CD1 3.75Å; V27-L115 CarbonylContact O-C 3.57Å; V27-L115 WeakPolarHBondContact O-CA 3.17Å; V27-I116 PolarHBondContact O-N 3.1Å; V27-F135 HydrophobicContact CB-CE1 4.48Å; V27-F135 HydrophobicContact CG2-CE1 4.1Å; V27-F135 HydrophobicContact CG2-CZ 4.11Å
28Y97.4Very high90.2Very high0 Ų040.9 Ų40.90%025%0.245CC..EExtended strand (participates in β ladder)trans-111.4120.2177.2-177.6-136.2000111K30 F35 V51 L52 I53 F70 I116 L118 E348 L352Y28-K30 HydrophobicContact CE1-CB 4.27Å; Y28-K30 HydrophobicContact CE1-CD 3.85Å; Y28-F35 HydrophobicContact CD1-CE1 4.14Å; Y28-F35 HydrophobicContact CD1-CZ 4.22Å; Y28-F35 HydrophobicContact CE1-CD1 4.44Å; Y28-F35 AromaticContact CE1-CE1 3.45Å; Y28-F35 HydrophobicContact CE1-CE1 3.45Å; Y28-F35 VanDerWaalsContact CE1-CE1 3.45Å; Y28-F35 AromaticContact CE1-CZ 3.88Å; Y28-F35 HydrophobicContact CE1-CZ 3.88Å; Y28-V51 PolarHBondContact N-O 3.5Å; Y28-L52 HydrophobicContact CD1-CD1 3.74Å; Y28-L52 HydrophobicContact CE1-CD1 4.35Å; Y28-L52 HydrophobicContact CG-CD1 4.44Å; Y28-I53 PolarHBondContact O-N 2.95Å; Y28-F70 HydrophobicContact CD1-CE1 4.19Å; Y28-F70 AromaticContact CD1-CZ 3.95Å; Y28-F70 HydrophobicContact CD1-CZ 3.95Å; Y28-I116 HydrophobicContact CD2-CB 3.88Å; Y28-I116 HydrophobicContact CD2-CG2 3.79Å; Y28-I116 WeakPolarHBondContact CD2-O 3.45Å; Y28-I116 HydrophobicContact CE2-CG2 3.97Å; Y28-L118 HydrophobicContact CE2-CG 4.37Å; Y28-E348 PolarHBondContact OH-OE1 3.25Å; Y28-L352 HydrophobicContact CD1-CD1 4.4Å; Y28-L352 HydrophobicContact CD1-CD2 3.93Å; Y28-L352 HydrophobicContact CD2-CD2 3.68Å; Y28-L352 HydrophobicContact CE1-CD1 4.4Å; Y28-L352 HydrophobicContact CE1-CD2 4.24Å; Y28-L352 HydrophobicContact CE2-CD2 3.98Å; Y28-L352 HydrophobicContact CG-CD2 3.67Å
29V96.5Very high90.3Very high0 Ų036 Ų360%022%0.215CC..EExtended strand (participates in β ladder)trans-106.4119.1-175.1-174.70000110.7V27 L31 I53 V96 L115 I116 T117 L122 M125V27-V29 HydrophobicContact CG1-CG2 4.25Å; V29-L31 HydrophobicContact CG1-CD1 4.14Å; V29-L31 HydrophobicContact CG1-CD2 4.2Å; V29-L31 HydrophobicContact CG1-CG 3.91Å; V29-I53 HydrophobicContact CG2-CB 4.42Å; V29-I53 HydrophobicContact CG2-CD1 4.49Å; V29-V96 HydrophobicContact CG1-CG1 4.09Å; V29-V96 HydrophobicContact CG2-CG1 4.15Å; V29-L115 HydrophobicContact CG2-CD1 3.71Å; V29-I116 PolarHBondContact N-O 2.94Å; V29-T117 PolarHBondContact O-OG1 3.38Å; V29-L122 HydrophobicContact CG1-CD1 4.08Å; V29-M125 HydrophobicContact CG1-CE 4.2Å
30K94.1Very high90.5Very high4 Ų438.3 Ų38.32%0.01722%0.22CC..EExtended strand (participates in β ladder)trans-138.5102.7-174.9-167.9171-179.170.70111.3Y28 K33 P34 F35 L52 I53 V54 S55 L58 E348Y28-K30 HydrophobicContact CE1-CB 4.27Å; Y28-K30 HydrophobicContact CE1-CD 3.85Å; K30-K33 WeakPolarHBondContact CE-O 3.37Å; K30-K33 WeakPolarHBondContact CG-O 3.43Å; K30-K33 PolarHBondContact NZ-O 3.26Å; K30-K33 VanDerWaalsContact NZ-O 3.15Å; K30-P34 WeakPolarHBondContact CE-O 3.43Å; K30-P34 VanDerWaalsContact NZ-C 3.29Å; K30-P34 PolarHBondContact NZ-O 2.86Å; K30-F35 HydrophobicContact CD-CD1 4.1Å; K30-F35 HydrophobicContact CD-CD2 4.38Å; K30-F35 HydrophobicContact CD-CE1 3.94Å; K30-F35 HydrophobicContact CD-CE2 4.21Å; K30-F35 HydrophobicContact CD-CG 4.32Å; K30-F35 HydrophobicContact CD-CZ 3.98Å; K30-F35 VanDerWaalsContact CE-CA 3.49Å; K30-L52 HydrophobicContact CB-CD1 4.28Å; K30-I53 PolarHBondContact N-O 3.48Å; K30-V54 VanDerWaalsContact O-CA 3.29Å; K30-V54 WeakPolarHBondContact O-CA 3.25Å; K30-S55 PolarHBondContact O-N 3.27Å; K30-L58 HydrophobicContact CG-CD1 4.38Å; K30-E348 IonicContact NZ-OE1 3.89Å; K30-E348 PolarHBondContact NZ-OE1 3.37Å; K30-E348 IonicContact NZ-OE2 3.68Å
31L93Very high90.5Very high1 Ų142.1 Ų42.11%0.00523%0.232CC..SBendtrans-116.4-33.7-169.4-52.4-178.9000112.7V29 S55 L58 V76 K78 W85 Y93 V96 E119 L122V29-L31 HydrophobicContact CG1-CD1 4.14Å; V29-L31 HydrophobicContact CG1-CD2 4.2Å; V29-L31 HydrophobicContact CG1-CG 3.91Å; L31-S55 PolarHBondContact O-OG 2.98Å; L31-L58 WeakPolarHBondContact O-CD1 3.16Å; L31-L58 WeakPolarHBondContact O-CG 3.28Å; L31-V76 HydrophobicContact CD2-CG2 3.48Å; L31-V76 VanDerWaalsContact CD2-CG2 3.48Å; L31-K78 VanDerWaalsContact C-CE 3.45Å; L31-K78 VanDerWaalsContact CB-CE 3.46Å; L31-K78 WeakPolarHBondContact O-CE 3.46Å; L31-K78 PolarHBondContact O-NZ 2.91Å; L31-W85 HydrophobicContact CB-CH2 3.99Å; L31-W85 HydrophobicContact CB-CZ2 4.19Å; L31-Y93 HydrophobicContact CD1-CD2 3.54Å; L31-Y93 HydrophobicContact CD1-CE2 3.61Å; L31-Y93 HydrophobicContact CD1-CG 4.17Å; L31-V96 HydrophobicContact CD1-CG2 4.05Å; L31-V96 HydrophobicContact CD2-CG2 4.46Å; L31-E119 PolarHBondContact N-OE1 3.02Å; L31-L122 HydrophobicContact CB-CD1 4.02Å; L31-L122 HydrophobicContact CD1-CD1 3.91Å; L31-L122 HydrophobicContact CD1-CD2 3.92Å; L31-L122 HydrophobicContact CG-CD1 3.8Å
32G86.7Confident90.9Very high31 Ų3138.4 Ų38.432%0.3220%0.201SC..SBendtrans-102.5-31.7-171.400000115.6E119G32-E119 WeakPolarHBondContact CA-OE2 3.37Å; G32-E119 PolarHBondContact N-OE1 3.18Å; G32-E119 PolarHBondContact N-OE2 3.33Å
33K85.8Confident90.9Very high109 Ų10947.7 Ų47.747%0.47423%0.233SC..SBendtrans-128140.9-177.9-63.6-179.8-176.5173.40112K30 L58 E119K30-K33 WeakPolarHBondContact CE-O 3.37Å; K30-K33 WeakPolarHBondContact CG-O 3.43Å; K30-K33 PolarHBondContact NZ-O 3.26Å; K30-K33 VanDerWaalsContact NZ-O 3.15Å; K33-L58 WeakPolarHBondContact O-CD1 3.47Å; K33-E119 PolarHBondContact N-OE1 3.08Å
34P86.3Confident90.8Very high47 Ų4746.4 Ų46.431%0.30523%0.225SC..  trans-68.8173.2169.434-36.3000110.8K30 K61K30-P34 WeakPolarHBondContact CE-O 3.43Å; K30-P34 VanDerWaalsContact NZ-C 3.29Å; K30-P34 PolarHBondContact NZ-O 2.86Å; P34-K61 HydrophobicContact CB-CB 4.07Å
35F90Very high90.6Very high15 Ų1544.9 Ų44.97%0.06622%0.221CC..  trans-62.4146.8174.6-69.9-75.8000110.1Y28 K30 L39 L52 I62 Q66 F70 E348Y28-F35 HydrophobicContact CD1-CE1 4.14Å; Y28-F35 HydrophobicContact CD1-CZ 4.22Å; Y28-F35 HydrophobicContact CE1-CD1 4.44Å; Y28-F35 AromaticContact CE1-CE1 3.45Å; Y28-F35 HydrophobicContact CE1-CE1 3.45Å; Y28-F35 VanDerWaalsContact CE1-CE1 3.45Å; Y28-F35 AromaticContact CE1-CZ 3.88Å; Y28-F35 HydrophobicContact CE1-CZ 3.88Å; K30-F35 HydrophobicContact CD-CD1 4.1Å; K30-F35 HydrophobicContact CD-CD2 4.38Å; K30-F35 HydrophobicContact CD-CE1 3.94Å; K30-F35 HydrophobicContact CD-CE2 4.21Å; K30-F35 HydrophobicContact CD-CG 4.32Å; K30-F35 HydrophobicContact CD-CZ 3.98Å; K30-F35 VanDerWaalsContact CE-CA 3.49Å; F35-L39 HydrophobicContact CD1-CD1 3.71Å; F35-L39 HydrophobicContact CD1-CD2 3.83Å; F35-L39 HydrophobicContact CD1-CG 4.02Å; F35-L39 HydrophobicContact CD2-CD1 4.33Å; F35-L39 HydrophobicContact CE1-CD1 3.47Å; F35-L39 VanDerWaalsContact CE1-CD1 3.47Å; F35-L39 HydrophobicContact CE1-CD2 4.16Å; F35-L39 HydrophobicContact CE1-CG 4.26Å; F35-L39 HydrophobicContact CE2-CD1 4.14Å; F35-L39 HydrophobicContact CG-CD1 4.13Å; F35-L39 HydrophobicContact CG-CG 4.36Å; F35-L39 HydrophobicContact CZ-CD1 3.73Å; F35-L52 HydrophobicContact CE2-CD2 3.98Å; F35-L52 HydrophobicContact CZ-CD1 4.1Å; F35-L52 HydrophobicContact CZ-CD2 4.06Å; F35-I62 HydrophobicContact CD2-CD1 4.14Å; F35-I62 HydrophobicContact CD2-CG1 4.1Å; F35-I62 HydrophobicContact CD2-CG2 3.95Å; F35-I62 HydrophobicContact CE2-CD1 3.84Å; F35-I62 HydrophobicContact CE2-CG1 4.26Å; F35-I62 HydrophobicContact CE2-CG2 3.85Å; F35-Q66 HydrophobicContact CD2-CB 4.12Å; F35-Q66 HydrophobicContact CD2-CG 4.16Å; F35-Q66 HydrophobicContact CE2-CB 4.26Å; F35-F70 AromaticContact CZ-CE2 3.87Å; F35-F70 HydrophobicContact CZ-CE2 3.87Å; F35-F70 HydrophobicContact CZ-CZ 4.05Å; F35-E348 WeakPolarHBondContact CA-OE2 3.42Å; F35-E348 HydrophobicContact CD1-CG 4.26Å
36L84.8Confident90.3Very high97 Ų9751.5 Ų51.551%0.50826%0.257SS..SBendtrans-79.3-23.7177.8-65.4-169.3000112.8L330 P336 E348L36-L330 HydrophobicContact CD1-CD1 4.13Å; L36-L330 HydrophobicContact CD1-CD2 3.49Å; L36-L330 VanDerWaalsContact CD1-CD2 3.49Å; L36-L330 HydrophobicContact CD1-CG 4.26Å; L36-L330 HydrophobicContact CG-CD2 4.06Å; L36-P336 HydrophobicContact CD1-CB 3.46Å; L36-P336 VanDerWaalsContact CD1-CB 3.46Å; L36-P336 HydrophobicContact CD1-CG 4.01Å; L36-E348 PolarHBondContact N-OE2 3.09Å
37S83.7Confident90.1Very high18 Ų1854.1 Ų54.113%0.12627%0.271CS..SBendtrans-136.6-177.2-176.572.80000111.1L39 Q66 D346S37-L39 VanDerWaalsContact C-N 3.29Å; S37-L39 PolarHBondContact O-N 2.84Å; S37-L39 PolarHBondContact OG-N 3.33Å; S37-L39 VanDerWaalsContact OG-N 3.15Å; S37-Q66 PolarHBondContact O-NE2 2.97Å; S37-D346 WeakPolarHBondContact CB-OD2 3.38Å; S37-D346 PolarHBondContact OG-OD2 3Å
38Q86Confident90Very high88 Ų8855 Ų5541%0.41128%0.275SS..  trans-82.31.7174.9-67.4-55.6-33.400115E40 S63Q38-E40 HydrophobicContact CB-CG 3.78Å; Q38-E40 WeakPolarHBondContact CB-OE1 3.46Å; Q38-E40 PolarHBondContact O-N 3.39Å; Q38-S63 PolarHBondContact OE1-OG 3.39Å; Q38-S63 VanDerWaalsContact OE1-OG 3.06Å
39L89.5Confident90Very high0 Ų055.1 Ų55.10%028%0.276CS..  trans5432.2-173.6-51.2177.2000113.2F35 S37 L41 L42 Q66 K69 F70 E348 E349F35-L39 HydrophobicContact CD1-CD1 3.71Å; F35-L39 HydrophobicContact CD1-CD2 3.83Å; F35-L39 HydrophobicContact CD1-CG 4.02Å; F35-L39 HydrophobicContact CD2-CD1 4.33Å; F35-L39 HydrophobicContact CE1-CD1 3.47Å; F35-L39 VanDerWaalsContact CE1-CD1 3.47Å; F35-L39 HydrophobicContact CE1-CD2 4.16Å; F35-L39 HydrophobicContact CE1-CG 4.26Å; F35-L39 HydrophobicContact CE2-CD1 4.14Å; F35-L39 HydrophobicContact CG-CD1 4.13Å; F35-L39 HydrophobicContact CG-CG 4.36Å; F35-L39 HydrophobicContact CZ-CD1 3.73Å; S37-L39 VanDerWaalsContact C-N 3.29Å; S37-L39 PolarHBondContact O-N 2.84Å; S37-L39 PolarHBondContact OG-N 3.33Å; S37-L39 VanDerWaalsContact OG-N 3.15Å; L39-L41 VanDerWaalsContact C-N 3.34Å; L39-L41 PolarHBondContact O-N 2.86Å; L39-L42 HydrophobicContact CB-CB 4.07Å; L39-L42 HydrophobicContact CB-CD2 4.19Å; L39-L42 HydrophobicContact CD1-CD2 4.06Å; L39-L42 WeakPolarHBondContact O-CB 3.36Å; L39-L42 PolarHBondContact O-N 3.26Å; L39-Q66 HydrophobicContact CD1-CB 4.35Å; L39-Q66 HydrophobicContact CD1-CG 4.3Å; L39-Q66 HydrophobicContact CG-CG 4.3Å; L39-K69 HydrophobicContact CB-CG 4.18Å; L39-K69 WeakPolarHBondContact O-CE 3.29Å; L39-K69 PolarHBondContact O-NZ 2.82Å; L39-F70 HydrophobicContact CD1-CE2 4.13Å; L39-E348 HydrophobicContact CD2-CG 4.45Å; L39-E349 WeakPolarHBondContact CA-OE1 3.28Å; L39-E349 HydrophobicContact CB-CG 4.41Å; L39-E349 HydrophobicContact CD2-CG 3.68Å
40E85.4Confident90.1Very high143 Ų14355.2 Ų55.267%0.66828%0.277SS*.THydrogen-bonded Turntrans-59.4-40-174.6-79.9167.2-155.400113.2Q38 K69 E349Q38-E40 HydrophobicContact CB-CG 3.78Å; Q38-E40 WeakPolarHBondContact CB-OE1 3.46Å; Q38-E40 PolarHBondContact O-N 3.39Å; E40-K69 PolarHBondContact O-NZ 3.05Å; E40-E349 PolarHBondContact N-OE1 2.86Å
41L81.8Confident90.3Very high112 Ų11255 Ų5559%0.58628%0.276SS*.THydrogen-bonded Turntrans-87.6-10.5-176.8-46.6175.3000112.4L39 R43 E349L39-L41 VanDerWaalsContact C-N 3.34Å; L39-L41 PolarHBondContact O-N 2.86Å; L41-R43 PolarHBondContact O-N 2.75Å; L41-R43 VanDerWaalsContact O-N 3.1Å; L41-E349 WeakPolarHBondContact CB-OE2 3.35Å; L41-E349 PolarHBondContact N-OE1 2.94Å
42L91.1Very high90.5Very high4 Ų455 Ų552%0.02128%0.275CS..  trans-63.4113.7178.7-166.869.8000111L39 F44 K69 E349 L352 L353L39-L42 HydrophobicContact CB-CB 4.07Å; L39-L42 HydrophobicContact CB-CD2 4.19Å; L39-L42 HydrophobicContact CD1-CD2 4.06Å; L39-L42 WeakPolarHBondContact O-CB 3.36Å; L39-L42 PolarHBondContact O-N 3.26Å; L42-F44 HydrophobicContact CD1-CE1 3.91Å; L42-F44 HydrophobicContact CD1-CZ 4Å; L42-F44 HydrophobicContact CD2-CE1 4.37Å; L42-F44 HydrophobicContact CD2-CE2 3.8Å; L42-F44 HydrophobicContact CD2-CZ 3.63Å; L42-F44 HydrophobicContact CG-CE1 4.26Å; L42-F44 HydrophobicContact CG-CE2 4.21Å; L42-F44 HydrophobicContact CG-CZ 3.98Å; L42-K69 HydrophobicContact CD2-CB 4.1Å; L42-K69 HydrophobicContact CD2-CG 4.4Å; L42-K69 PolarHBondContact O-NZ 3.1Å; L42-E349 HydrophobicContact CB-CG 4.17Å; L42-E349 HydrophobicContact CD1-CB 4.36Å; L42-E349 PolarHBondContact N-OE1 2.99Å; L42-L352 HydrophobicContact CD1-CB 4.07Å; L42-L352 HydrophobicContact CD1-CD1 4.31Å; L42-L352 HydrophobicContact CD2-CD1 4.05Å; L42-L353 HydrophobicContact CD1-CD1 4.31Å; L42-L353 HydrophobicContact CD1-CD2 3.73Å; L42-L353 HydrophobicContact CD1-CG 3.72Å
43R91Very high91Very high207 Ų20753.5 Ų53.578%0.78126%0.26SS*.  trans-129.6109.5170-62.8-172.9-175.7-154.71.5109.3L41 L353L41-R43 PolarHBondContact O-N 2.75Å; L41-R43 VanDerWaalsContact O-N 3.1Å; R43-L353 WeakPolarHBondContact O-CD2 3.21Å
44F93.6Very high91.5Very high34 Ų3448.3 Ų48.315%0.14924%0.238CC..  trans-76.4152.9174.2-68.8-52.3000111.2L26 L42 L48 A50 K69 F70 L352 V356L26-F44 HydrophobicContact CD2-CD1 4.29Å; L26-F44 HydrophobicContact CD2-CE1 3.5Å; L26-F44 HydrophobicContact CD2-CE2 4.2Å; L26-F44 HydrophobicContact CD2-CZ 3.44Å; L26-F44 VanDerWaalsContact CD2-CZ 3.44Å; L42-F44 HydrophobicContact CD1-CE1 3.91Å; L42-F44 HydrophobicContact CD1-CZ 4Å; L42-F44 HydrophobicContact CD2-CE1 4.37Å; L42-F44 HydrophobicContact CD2-CE2 3.8Å; L42-F44 HydrophobicContact CD2-CZ 3.63Å; L42-F44 HydrophobicContact CG-CE1 4.26Å; L42-F44 HydrophobicContact CG-CE2 4.21Å; L42-F44 HydrophobicContact CG-CZ 3.98Å; F44-L48 HydrophobicContact CB-CB 4.49Å; F44-L48 HydrophobicContact CB-CD2 3.77Å; F44-L48 HydrophobicContact CD1-CD2 3.53Å; F44-L48 HydrophobicContact CD2-CD2 4.49Å; F44-L48 HydrophobicContact CE1-CD2 4.24Å; F44-L48 HydrophobicContact CG-CD2 3.68Å; F44-A50 HydrophobicContact CD2-CB 3.8Å; F44-A50 HydrophobicContact CE2-CB 3.79Å; F44-A50 HydrophobicContact CG-CB 4.49Å; F44-A50 HydrophobicContact CZ-CB 4.48Å; F44-K69 WeakPolarHBondContact CD2-O 3.12Å; F44-K69 WeakPolarHBondContact CE2-O 3.36Å; F44-F70 HydrophobicContact CE2-CD1 4.25Å; F44-F70 HydrophobicContact CE2-CE1 4.11Å; F44-F70 HydrophobicContact CZ-CE1 4.21Å; F44-L352 HydrophobicContact CE1-CB 4.36Å; F44-V356 HydrophobicContact CD1-CG2 4.27Å
45P92.6Very high91.9Very high32 Ų3246.1 Ų46.121%0.20822%0.224CC..  trans-58144.6168.5-2334.7000111.7N47 L48 H357P45-N47 VanDerWaalsContact CB-OD1 3.28Å; P45-N47 WeakPolarHBondContact CB-OD1 3.33Å; P45-N47 PolarHBondContact O-N 3.34Å; P45-N47 VanDerWaalsContact O-N 3.15Å; P45-L48 HydrophobicContact CB-CB 4.49Å; P45-L48 VanDerWaalsContact O-CB 3.25Å; P45-L48 WeakPolarHBondContact O-CB 3.3Å; P45-L48 PolarHBondContact O-N 3.3Å; P45-H357 WeakPolarHBondContact CG-ND1 3.48Å
46D91.4Very high92Very high140 Ų14048.3 Ų48.375%0.74924%0.238SC*.THydrogen-bonded Turntrans-60.4-28-177.4-62.9-29000113.1V19 L48V19-D46 HydrophobicContact CG1-CB 3.86Å; V19-D46 WeakPolarHBondContact CG1-O 3.48Å; D46-L48 VanDerWaalsContact C-N 3.26Å; D46-L48 PolarHBondContact O-N 3.28Å
47N93.6Very high92.3Very high55 Ų5551.5 Ų51.529%0.29425%0.248SC..THydrogen-bonded Turntrans-84.39.4177.871.2-36.5000114.4A22 D23 K24 P45A22-N47 WeakPolarHBondContact CA-O 3.35Å; A22-N47 WeakPolarHBondContact CB-O 3.47Å; D23-N47 PolarHBondContact N-O 2.93Å; D23-N47 WeakPolarHBondContact OD1-CB 3.29Å; D23-N47 PolarHBondContact OD1-ND2 3.18Å; K24-N47 PolarHBondContact N-O 2.8Å; K24-N47 VanDerWaalsContact N-O 3.13Å; P45-N47 VanDerWaalsContact CB-OD1 3.28Å; P45-N47 WeakPolarHBondContact CB-OD1 3.33Å; P45-N47 PolarHBondContact O-N 3.34Å; P45-N47 VanDerWaalsContact O-N 3.15Å
48L96.1Very high92.7Very high18 Ų1851 Ų519%0.09424%0.244CC..EExtended strand (participates in β ladder)trans-102.6120.3-179.4-172.973.5000111.8K24 L26 F44 P45 D46 A50 V356K24-L48 HydrophobicContact CB-CD1 3.51Å; L26-L48 HydrophobicContact CB-CD1 3.94Å; L26-L48 HydrophobicContact CB-CD2 3.88Å; L26-L48 HydrophobicContact CB-CG 4.11Å; L26-L48 HydrophobicContact CD2-CD2 4.15Å; F44-L48 HydrophobicContact CB-CB 4.49Å; F44-L48 HydrophobicContact CB-CD2 3.77Å; F44-L48 HydrophobicContact CD1-CD2 3.53Å; F44-L48 HydrophobicContact CD2-CD2 4.49Å; F44-L48 HydrophobicContact CE1-CD2 4.24Å; F44-L48 HydrophobicContact CG-CD2 3.68Å; P45-L48 HydrophobicContact CB-CB 4.49Å; P45-L48 VanDerWaalsContact O-CB 3.25Å; P45-L48 WeakPolarHBondContact O-CB 3.3Å; P45-L48 PolarHBondContact O-N 3.3Å; D46-L48 VanDerWaalsContact C-N 3.26Å; D46-L48 PolarHBondContact O-N 3.28Å; L48-A50 HydrophobicContact CD2-CB 4.39Å; L48-A50 PolarHBondContact O-N 3.23Å; L48-V356 HydrophobicContact CD1-CG1 4.06Å; L48-V356 HydrophobicContact CD2-CB 4.23Å; L48-V356 HydrophobicContact CD2-CG1 3.84Å; L48-V356 HydrophobicContact CD2-CG2 4.28Å
49F97.5Very high93Very high2 Ų249 Ų491%0.00924%0.236CC..EExtended strand (participates in β ladder)trans-86.4108.5165.3-170-110.8000110L8 A11 W12 A15 A22 K24 L25 L26 V51 A71 L106 F109L8-F49 HydrophobicContact CD1-CE1 3.88Å; L8-F49 HydrophobicContact CD1-CZ 4.18Å; A11-F49 HydrophobicContact CB-CZ 4.34Å; W12-F49 HydrophobicContact CB-CE2 4.36Å; W12-F49 HydrophobicContact CB-CZ 4.04Å; W12-F49 HydrophobicContact CE3-CB 4.26Å; W12-F49 AromaticContact CE3-CD1 3.88Å; W12-F49 HydrophobicContact CE3-CD1 3.88Å; W12-F49 AromaticContact CE3-CD2 3.73Å; W12-F49 HydrophobicContact CE3-CD2 3.73Å; W12-F49 HydrophobicContact CE3-CE1 4.09Å; W12-F49 AromaticContact CE3-CE2 3.95Å; W12-F49 HydrophobicContact CE3-CE2 3.95Å; W12-F49 AromaticContact CE3-CG 3.69Å; W12-F49 HydrophobicContact CE3-CG 3.69Å; W12-F49 HydrophobicContact CE3-CZ 4.12Å; W12-F49 HydrophobicContact CZ3-CB 3.87Å; W12-F49 HydrophobicContact CZ3-CD1 4.26Å; W12-F49 HydrophobicContact CZ3-CD2 4.11Å; W12-F49 AromaticContact CZ3-CG 3.83Å; W12-F49 HydrophobicContact CZ3-CG 3.83Å; A15-F49 HydrophobicContact CB-CD2 3.97Å; A15-F49 HydrophobicContact CB-CE2 4Å; A22-F49 HydrophobicContact CB-CB 3.92Å; K24-F49 PolarHBondContact O-N 3.18Å; L25-F49 HydrophobicContact CD1-CD1 4.08Å; L25-F49 WeakPolarHBondContact CD1-O 3.21Å; L26-F49 PolarHBondContact N-O 2.97Å; F49-V51 HydrophobicContact CD1-CG2 3.81Å; F49-V51 HydrophobicContact CE1-CG2 3.45Å; F49-V51 VanDerWaalsContact CE1-CG2 3.45Å; F49-V51 HydrophobicContact CZ-CG2 4.25Å; F49-A71 HydrophobicContact CD2-CB 3.7Å; F49-A71 HydrophobicContact CE2-CB 3.52Å; F49-A71 HydrophobicContact CZ-CB 4.3Å; F49-L106 HydrophobicContact CD1-CD1 4.37Å; F49-L106 HydrophobicContact CE1-CD1 3.7Å; F49-L106 HydrophobicContact CZ-CD1 4.35Å; F49-F109 HydrophobicContact CB-CE1 4.23Å
50A97.5Very high93Very high2 Ų252.8 Ų52.82%0.01728%0.275CS..EExtended strand (participates in β ladder)trans-104.1124-176.600000112.3L26 F44 L48 F70 A71 C72L26-A50 HydrophobicContact CB-CB 4.31Å; L26-A50 HydrophobicContact CD2-CB 4.11Å; L26-A50 CarbonylContact O-C 3.52Å; L26-A50 WeakPolarHBondContact O-CA 3.48Å; F44-A50 HydrophobicContact CD2-CB 3.8Å; F44-A50 HydrophobicContact CE2-CB 3.79Å; F44-A50 HydrophobicContact CG-CB 4.49Å; F44-A50 HydrophobicContact CZ-CB 4.48Å; L48-A50 HydrophobicContact CD2-CB 4.39Å; L48-A50 PolarHBondContact O-N 3.23Å; A50-F70 HydrophobicContact CB-CD1 4.05Å; A50-F70 CarbonylContact O-C 3.56Å; A50-A71 PolarHBondContact O-N 2.7Å; A50-C72 PolarHBondContact O-N 3.39Å
51V98.3Very high93.4Very high0 Ų052 Ų520%027%0.27CS..EExtended strand (participates in β ladder)trans-118.2127.2179.9-178.60000110.3L8 L26 V27 Y28 F49 I53 C72 L74 T103L8-V51 HydrophobicContact CD1-CG2 3.95Å; L26-V51 PolarHBondContact O-N 3.48Å; V27-V51 CarbonylContact C-O 3.56Å; V27-V51 WeakPolarHBondContact CA-O 2.98Å; V27-V51 HydrophobicContact CG2-CB 4.49Å; Y28-V51 PolarHBondContact N-O 3.5Å; F49-V51 HydrophobicContact CD1-CG2 3.81Å; F49-V51 HydrophobicContact CE1-CG2 3.45Å; F49-V51 VanDerWaalsContact CE1-CG2 3.45Å; F49-V51 HydrophobicContact CZ-CG2 4.25Å; V51-I53 HydrophobicContact CG1-CG1 4.4Å; V51-C72 CarbonylContact C-O 3.59Å; V51-C72 WeakPolarHBondContact CA-O 3.47Å; V51-C72 HydrophobicContact CG1-CB 4.44Å; V51-C72 HydrophobicContact CG2-CB 4.32Å; V51-L74 HydrophobicContact CG1-CD1 3.64Å; V51-L74 HydrophobicContact CG1-CG 4.03Å; V51-T103 HydrophobicContact CG2-CG2 3.87Å
52L98Very high93.9Very high0 Ų047.2 Ų47.20%024%0.244CC..EExtended strand (participates in β ladder)trans-98.4121.6171.7173.562.2000109.7Y28 K30 F35 V54 I62 F70 C72 T73 L74Y28-L52 HydrophobicContact CD1-CD1 3.74Å; Y28-L52 HydrophobicContact CE1-CD1 4.35Å; Y28-L52 HydrophobicContact CG-CD1 4.44Å; K30-L52 HydrophobicContact CB-CD1 4.28Å; F35-L52 HydrophobicContact CE2-CD2 3.98Å; F35-L52 HydrophobicContact CZ-CD1 4.1Å; F35-L52 HydrophobicContact CZ-CD2 4.06Å; L52-V54 HydrophobicContact CG-CB 4.46Å; L52-I62 HydrophobicContact CD2-CD1 4.17Å; L52-F70 HydrophobicContact CB-CB 4.13Å; L52-F70 HydrophobicContact CB-CD1 3.77Å; L52-F70 HydrophobicContact CB-CD2 3.89Å; L52-F70 HydrophobicContact CB-CE1 4.13Å; L52-F70 HydrophobicContact CB-CE2 4.25Å; L52-F70 HydrophobicContact CB-CG 3.65Å; L52-F70 HydrophobicContact CB-CZ 4.37Å; L52-F70 HydrophobicContact CD1-CZ 4.48Å; L52-F70 HydrophobicContact CD2-CD2 4.02Å; L52-F70 HydrophobicContact CD2-CE2 4.03Å; L52-C72 PolarHBondContact N-O 2.88Å; L52-T73 HydrophobicContact CB-CG2 4.42Å; L52-T73 HydrophobicContact CD2-CG2 4Å; L52-T73 HydrophobicContact CG-CG2 4.22Å; L52-T73 CarbonylContact O-C 3.55Å; L52-T73 WeakPolarHBondContact O-CA 3.45Å; L52-L74 PolarHBondContact O-N 3.08Å
53I97.7Very high94.1Very high0 Ų048.3 Ų48.30%025%0.253CS..EExtended strand (participates in β ladder)trans-102.9116.6169.2-58.9176.8000108.7V27 Y28 V29 K30 V51 L74 V76 V96 L99 V100V27-I53 HydrophobicContact CG1-CD1 3.66Å; V27-I53 HydrophobicContact CG1-CG1 4.07Å; Y28-I53 PolarHBondContact O-N 2.95Å; V29-I53 HydrophobicContact CG2-CB 4.42Å; V29-I53 HydrophobicContact CG2-CD1 4.49Å; K30-I53 PolarHBondContact N-O 3.48Å; V51-I53 HydrophobicContact CG1-CG1 4.4Å; I53-L74 WeakPolarHBondContact CA-O 3.35Å; I53-L74 HydrophobicContact CG1-CB 4.4Å; I53-V76 HydrophobicContact CG2-CG1 3.78Å; I53-V76 HydrophobicContact CG2-CG2 4.26Å; I53-V96 HydrophobicContact CD1-CG1 4.4Å; I53-V96 HydrophobicContact CG2-CG2 4.22Å; I53-L99 HydrophobicContact CD1-CB 3.89Å; I53-L99 HydrophobicContact CG2-CD1 4.3Å; I53-V100 HydrophobicContact CD1-CG2 3.91Å
54V96.3Very high94.2Very high0 Ų044.7 Ų44.70%024%0.242CC..EExtended strand (participates in β ladder)trans-124.7147.4-175.464.30000112.4K30 L52 L58 L59 I62 T73 L74 Q75 V76K30-V54 VanDerWaalsContact O-CA 3.29Å; K30-V54 WeakPolarHBondContact O-CA 3.25Å; L52-V54 HydrophobicContact CG-CB 4.46Å; V54-L58 HydrophobicContact CG2-CB 3.52Å; V54-L58 HydrophobicContact CG2-CD1 4.39Å; V54-L59 HydrophobicContact CG1-CB 4.46Å; V54-L59 HydrophobicContact CG1-CD1 3.81Å; V54-I62 HydrophobicContact CB-CD1 4.16Å; V54-I62 HydrophobicContact CG2-CD1 3.51Å; V54-T73 HydrophobicContact CG1-CG2 3.78Å; V54-L74 WeakPolarHBondContact CG1-O 3.06Å; V54-L74 PolarHBondContact N-O 2.92Å; V54-Q75 CarbonylContact O-C 3.53Å; V54-Q75 VanDerWaalsContact O-CA 3.3Å; V54-Q75 WeakPolarHBondContact O-CA 3.3Å; V54-V76 PolarHBondContact O-N 2.92Å
55S94Very high94.3Very high1 Ų148.4 Ų48.41%0.00726%0.26CS..EExtended strand (participates in β ladder)trans-71.6147.2171.276.50000112.6K30 L31 K57 L58 L59 V76K30-S55 PolarHBondContact O-N 3.27Å; L31-S55 PolarHBondContact O-OG 2.98Å; S55-K57 PolarHBondContact O-N 3.23Å; S55-K57 VanDerWaalsContact O-N 3.08Å; S55-L58 PolarHBondContact O-N 3.15Å; S55-L58 WeakPolarHBondContact OG-CG 3.32Å; S55-L58 PolarHBondContact OG-N 2.99Å; S55-L59 PolarHBondContact O-N 2.69Å; S55-V76 CarbonylContact C-O 3.58Å; S55-V76 VanDerWaalsContact CA-O 3.28Å; S55-V76 WeakPolarHBondContact CA-O 3.49Å
56T92.8Very high94.4Very high61 Ų6147.2 Ų47.237%0.37425%0.252SS..Hα-helixtrans-46.2-43.2173.1-52.20000112.9L58 L59 Q75 V76T56-L58 VanDerWaalsContact C-N 3.27Å; T56-L58 PolarHBondContact O-N 3.02Å; T56-L59 PolarHBondContact O-N 3.37Å; T56-Q75 PolarHBondContact OG1-NE2 2.91Å; T56-V76 PolarHBondContact N-O 3.26Å; T56-V76 PolarHBondContact OG1-O 3.01Å
57K90Very high94.5Very high164 Ų16442.9 Ų42.971%0.71323%0.228SC*.Hα-helixtrans-66.5-27.7-178.9-176.9175.2-179.1174.90113.4S55S55-K57 PolarHBondContact O-N 3.23Å; S55-K57 VanDerWaalsContact O-N 3.08Å
58L92Very high94.6Very high7 Ų746.2 Ų46.24%0.03724%0.242CC..Hα-helixtrans-90.9-23.4178.7-74.3-173.7000112.9K30 L31 K33 V54 S55 T56 G60 K61 I62K30-L58 HydrophobicContact CG-CD1 4.38Å; L31-L58 WeakPolarHBondContact O-CD1 3.16Å; L31-L58 WeakPolarHBondContact O-CG 3.28Å; K33-L58 WeakPolarHBondContact O-CD1 3.47Å; V54-L58 HydrophobicContact CG2-CB 3.52Å; V54-L58 HydrophobicContact CG2-CD1 4.39Å; S55-L58 PolarHBondContact O-N 3.15Å; S55-L58 WeakPolarHBondContact OG-CG 3.32Å; S55-L58 PolarHBondContact OG-N 2.99Å; T56-L58 VanDerWaalsContact C-N 3.27Å; T56-L58 PolarHBondContact O-N 3.02Å; L58-G60 VanDerWaalsContact C-N 3.29Å; L58-G60 PolarHBondContact O-N 3.06Å; L58-K61 HydrophobicContact CD2-CD 4.28Å; L58-K61 WeakPolarHBondContact O-CA 3.38Å; L58-K61 WeakPolarHBondContact O-CB 3.45Å; L58-K61 PolarHBondContact O-N 3.22Å; L58-I62 PolarHBondContact O-N 2.89Å
59L92.3Very high94.5Very high46 Ų4648.3 Ų48.324%0.24125%0.25CS..Hα-helixtrans-53.7-45.9-176-174.564.5000112.1V54 S55 T56 K61 I62 M67 T73 Q75V54-L59 HydrophobicContact CG1-CB 4.46Å; V54-L59 HydrophobicContact CG1-CD1 3.81Å; S55-L59 PolarHBondContact O-N 2.69Å; T56-L59 PolarHBondContact O-N 3.37Å; L59-K61 PolarHBondContact O-N 2.66Å; L59-I62 PolarHBondContact O-N 3.47Å; L59-I62 VanDerWaalsContact O-N 3.17Å; L59-M67 HydrophobicContact CD1-SD 3.82Å; L59-T73 HydrophobicContact CD1-CG2 4.21Å; L59-Q75 VanDerWaalsContact CD2-OE1 3.28Å
60G90.4Very high94.4Very high81 Ų8148.8 Ų48.884%0.83525%0.252SS*.THydrogen-bonded Turntrans-702.2175.900000115.5L58L58-G60 VanDerWaalsContact C-N 3.29Å; L58-G60 PolarHBondContact O-N 3.06Å
61K92.9Very high94.4Very high126 Ų12651.1 Ų51.155%0.54827%0.272SS..THydrogen-bonded Turntrans-1142.4176.2-56.1-173.9179-170.30112.8P34 L58 L59P34-K61 HydrophobicContact CB-CB 4.07Å; L58-K61 HydrophobicContact CD2-CD 4.28Å; L58-K61 WeakPolarHBondContact O-CA 3.38Å; L58-K61 WeakPolarHBondContact O-CB 3.45Å; L58-K61 PolarHBondContact O-N 3.22Å; L59-K61 PolarHBondContact O-N 2.66Å
62I93.6Very high94.3Very high11 Ų1151.3 Ų51.36%0.05627%0.273CS..SBendtrans-103.9130.1175.1-60.5-177.6000106.9F35 L52 V54 L58 L59 Q66 M67F35-I62 HydrophobicContact CD2-CD1 4.14Å; F35-I62 HydrophobicContact CD2-CG1 4.1Å; F35-I62 HydrophobicContact CD2-CG2 3.95Å; F35-I62 HydrophobicContact CE2-CD1 3.84Å; F35-I62 HydrophobicContact CE2-CG1 4.26Å; F35-I62 HydrophobicContact CE2-CG2 3.85Å; L52-I62 HydrophobicContact CD2-CD1 4.17Å; V54-I62 HydrophobicContact CB-CD1 4.16Å; V54-I62 HydrophobicContact CG2-CD1 3.51Å; L58-I62 PolarHBondContact O-N 2.89Å; L59-I62 PolarHBondContact O-N 3.47Å; L59-I62 VanDerWaalsContact O-N 3.17Å; I62-Q66 VanDerWaalsContact CA-OE1 3.29Å; I62-Q66 HydrophobicContact CG2-CB 3.63Å; I62-M67 HydrophobicContact CB-CG 4.42Å; I62-M67 HydrophobicContact CG2-CG 3.6Å
63S94.2Very high94.3Very high28 Ų2851.6 Ų51.620%0.19627%0.274CS..  trans-70.7161.9177.867.80000110.8Q38 E65 Q66 M67Q38-S63 PolarHBondContact OE1-OG 3.39Å; Q38-S63 VanDerWaalsContact OE1-OG 3.06Å; S63-E65 VanDerWaalsContact C-N 3.27Å; S63-E65 VanDerWaalsContact CB-OE2 3.32Å; S63-E65 WeakPolarHBondContact CB-OE2 3.37Å; S63-E65 PolarHBondContact O-N 2.79Å; S63-E65 PolarHBondContact OG-OE2 2.93Å; S63-Q66 PolarHBondContact O-N 3.13Å; S63-Q66 WeakPolarHBondContact OG-CB 3.42Å; S63-Q66 VanDerWaalsContact OG-CD 3.24Å; S63-Q66 WeakPolarHBondContact OG-CG 3.39Å; S63-Q66 PolarHBondContact OG-N 3.17Å; S63-Q66 PolarHBondContact OG-OE1 2.83Å; S63-M67 PolarHBondContact O-N 3.19Å; S63-M67 VanDerWaalsContact O-N 3.16Å
64K94.2Very high94.3Very high130 Ų13051.6 Ų51.657%0.56528%0.275SS*.Hα-helixtrans-62.1-42.7176.3180178.9163.8-175.50110.3Q66 M67 E68K64-Q66 VanDerWaalsContact C-N 3.31Å; K64-Q66 PolarHBondContact O-N 2.82Å; K64-M67 PolarHBondContact O-N 3.28Å; K64-M67 VanDerWaalsContact O-N 3.1Å; K64-E68 WeakPolarHBondContact CE-OE1 3.49Å; K64-E68 HydrophobicContact CG-CG 4.35Å; K64-E68 IonicContact NZ-OE1 2.6Å; K64-E68 WeakPolarHBondContact O-CG 3.44Å; K64-E68 PolarHBondContact O-N 2.81Å
65E94.1Very high94.3Very high112 Ų11254.5 Ų54.552%0.52329%0.288SS..Hα-helixtrans-60.1-40.4179.9-60.774.1-164.300111.5S63S63-E65 VanDerWaalsContact C-N 3.27Å; S63-E65 VanDerWaalsContact CB-OE2 3.32Å; S63-E65 WeakPolarHBondContact CB-OE2 3.37Å; S63-E65 PolarHBondContact O-N 2.79Å; S63-E65 PolarHBondContact OG-OE2 2.93Å
66Q95.2Very high94.2Very high8 Ų854.6 Ų54.64%0.03729%0.289CS..Hα-helixtrans-66.7-41.5174.4-74.4163.9-11.700112.2F35 S37 L39 I62 S63 K64 E68 K69 F70F35-Q66 HydrophobicContact CD2-CB 4.12Å; F35-Q66 HydrophobicContact CD2-CG 4.16Å; F35-Q66 HydrophobicContact CE2-CB 4.26Å; S37-Q66 PolarHBondContact O-NE2 2.97Å; L39-Q66 HydrophobicContact CD1-CB 4.35Å; L39-Q66 HydrophobicContact CD1-CG 4.3Å; L39-Q66 HydrophobicContact CG-CG 4.3Å; I62-Q66 VanDerWaalsContact CA-OE1 3.29Å; I62-Q66 HydrophobicContact CG2-CB 3.63Å; S63-Q66 PolarHBondContact O-N 3.13Å; S63-Q66 WeakPolarHBondContact OG-CB 3.42Å; S63-Q66 VanDerWaalsContact OG-CD 3.24Å; S63-Q66 WeakPolarHBondContact OG-CG 3.39Å; S63-Q66 PolarHBondContact OG-N 3.17Å; S63-Q66 PolarHBondContact OG-OE1 2.83Å; K64-Q66 VanDerWaalsContact C-N 3.31Å; K64-Q66 PolarHBondContact O-N 2.82Å; Q66-E68 VanDerWaalsContact C-N 3.32Å; Q66-K69 WeakPolarHBondContact O-CB 3.38Å; Q66-K69 PolarHBondContact O-N 3.34Å; Q66-F70 WeakPolarHBondContact O-CD2 3.38Å
67M94.7Very high93.9Very high49 Ų4956.5 Ų56.524%0.24130%0.296CS..Hα-helixtrans-66.2-36.6178-71.2-174.6-73.400111.8L59 I62 S63 K64 K69 F70 T73L59-M67 HydrophobicContact CD1-SD 3.82Å; I62-M67 HydrophobicContact CB-CG 4.42Å; I62-M67 HydrophobicContact CG2-CG 3.6Å; S63-M67 PolarHBondContact O-N 3.19Å; S63-M67 VanDerWaalsContact O-N 3.16Å; K64-M67 PolarHBondContact O-N 3.28Å; K64-M67 VanDerWaalsContact O-N 3.1Å; M67-K69 PolarHBondContact O-N 2.91Å; M67-F70 PolarHBondContact O-N 3.36Å; M67-F70 VanDerWaalsContact O-N 3.08Å; M67-T73 HydrophobicContact CG-CG2 4.27Å; M67-T73 HydrophobicContact SD-CG2 4.24Å
68E94.2Very high93.1Very high125 Ų12551.2 Ų51.258%0.58427%0.274SS*.THydrogen-bonded Turntrans-68.7-12.3179.3-74.3176.4161.500113.6K64 Q66 F70K64-E68 WeakPolarHBondContact CE-OE1 3.49Å; K64-E68 HydrophobicContact CG-CG 4.35Å; K64-E68 IonicContact NZ-OE1 2.6Å; K64-E68 WeakPolarHBondContact O-CG 3.44Å; K64-E68 PolarHBondContact O-N 2.81Å; Q66-E68 VanDerWaalsContact C-N 3.32Å; E68-F70 PolarHBondContact O-N 3.04Å
69K94.7Very high91.9Very high62 Ų6253 Ų5327%0.2729%0.294SS..THydrogen-bonded Turntrans-68.6-14.9168.5-60.6-59.6-175.5149.60113.5L39 E40 L42 F44 Q66 M67L39-K69 HydrophobicContact CB-CG 4.18Å; L39-K69 WeakPolarHBondContact O-CE 3.29Å; L39-K69 PolarHBondContact O-NZ 2.82Å; E40-K69 PolarHBondContact O-NZ 3.05Å; L42-K69 HydrophobicContact CD2-CB 4.1Å; L42-K69 HydrophobicContact CD2-CG 4.4Å; L42-K69 PolarHBondContact O-NZ 3.1Å; F44-K69 WeakPolarHBondContact CD2-O 3.12Å; F44-K69 WeakPolarHBondContact CE2-O 3.36Å; Q66-K69 WeakPolarHBondContact O-CB 3.38Å; Q66-K69 PolarHBondContact O-N 3.34Å; M67-K69 PolarHBondContact O-N 2.91Å
70F96.2Very high89.9Confident11 Ų1160.9 Ų60.95%0.04833%0.326CS..SBendtrans-114140.4-178.5-58.5-93.3000109.5Y28 F35 L39 F44 A50 L52 Q66 M67 E68 C72Y28-F70 HydrophobicContact CD1-CE1 4.19Å; Y28-F70 AromaticContact CD1-CZ 3.95Å; Y28-F70 HydrophobicContact CD1-CZ 3.95Å; F35-F70 AromaticContact CZ-CE2 3.87Å; F35-F70 HydrophobicContact CZ-CE2 3.87Å; F35-F70 HydrophobicContact CZ-CZ 4.05Å; L39-F70 HydrophobicContact CD1-CE2 4.13Å; F44-F70 HydrophobicContact CE2-CD1 4.25Å; F44-F70 HydrophobicContact CE2-CE1 4.11Å; F44-F70 HydrophobicContact CZ-CE1 4.21Å; A50-F70 HydrophobicContact CB-CD1 4.05Å; A50-F70 CarbonylContact O-C 3.56Å; L52-F70 HydrophobicContact CB-CB 4.13Å; L52-F70 HydrophobicContact CB-CD1 3.77Å; L52-F70 HydrophobicContact CB-CD2 3.89Å; L52-F70 HydrophobicContact CB-CE1 4.13Å; L52-F70 HydrophobicContact CB-CE2 4.25Å; L52-F70 HydrophobicContact CB-CG 3.65Å; L52-F70 HydrophobicContact CB-CZ 4.37Å; L52-F70 HydrophobicContact CD1-CZ 4.48Å; L52-F70 HydrophobicContact CD2-CD2 4.02Å; L52-F70 HydrophobicContact CD2-CE2 4.03Å; Q66-F70 WeakPolarHBondContact O-CD2 3.38Å; M67-F70 PolarHBondContact O-N 3.36Å; M67-F70 VanDerWaalsContact O-N 3.08Å; E68-F70 PolarHBondContact O-N 3.04Å; F70-C72 PolarHBondContact O-N 2.96Å
71A96.4Very high88.1Confident52 Ų5262.2 Ų62.243%0.4332%0.318SS..SBendtrans-61.4-31.5174.800000111.6F49 A50F49-A71 HydrophobicContact CD2-CB 3.7Å; F49-A71 HydrophobicContact CE2-CB 3.52Å; F49-A71 HydrophobicContact CZ-CB 4.3Å; A50-A71 PolarHBondContact O-N 2.7Å
72C97.1Very high86Confident4 Ų465.8 Ų65.83%0.02733%0.333CS..EExtended strand (participates in β ladder)trans-143.8136175.1-160.60000111.8L8 A11 A50 V51 L52 F70 L74L8-C72 HydrophobicContact CD1-CB 4.37Å; A11-C72 HydrophobicContact CB-CB 3.78Å; A50-C72 PolarHBondContact O-N 3.39Å; V51-C72 CarbonylContact C-O 3.59Å; V51-C72 WeakPolarHBondContact CA-O 3.47Å; V51-C72 HydrophobicContact CG1-CB 4.44Å; V51-C72 HydrophobicContact CG2-CB 4.32Å; L52-C72 PolarHBondContact N-O 2.88Å; F70-C72 PolarHBondContact O-N 2.96Å; C72-L74 VanDerWaalsContact SG-CD2 3.51Å
73T97.8Very high84.2Confident5 Ų568.5 Ų68.53%0.03134%0.344CS..EExtended strand (participates in β ladder)trans-111120.8167-63.50000109R7 L52 V54 L59 M67R7-T73 PolarHBondContact NE-O 3.17Å; R7-T73 PolarHBondContact NH1-O 3.41Å; R7-T73 PolarHBondContact NH2-O 2.97Å; L52-T73 HydrophobicContact CB-CG2 4.42Å; L52-T73 HydrophobicContact CD2-CG2 4Å; L52-T73 HydrophobicContact CG-CG2 4.22Å; L52-T73 CarbonylContact O-C 3.55Å; L52-T73 WeakPolarHBondContact O-CA 3.45Å; V54-T73 HydrophobicContact CG1-CG2 3.78Å; L59-T73 HydrophobicContact CD1-CG2 4.21Å; M67-T73 HydrophobicContact CG-CG2 4.27Å; M67-T73 HydrophobicContact SD-CG2 4.24Å
74L97.7Very high82.7Confident1 Ų171.1 Ų71.11%0.00536%0.356CS..EExtended strand (participates in β ladder)trans-112.3147.8-178.8-56.9175.1000110.6Q4 L8 V51 L52 I53 V54 C72 L99Q4-L74 HydrophobicContact CB-CD2 4.33Å; Q4-L74 WeakPolarHBondContact O-CD2 3.28Å; L8-L74 HydrophobicContact CB-CD1 4.33Å; L8-L74 HydrophobicContact CB-CD2 4.17Å; L8-L74 HydrophobicContact CD1-CD1 4.28Å; L8-L74 HydrophobicContact CD2-CD1 4.19Å; V51-L74 HydrophobicContact CG1-CD1 3.64Å; V51-L74 HydrophobicContact CG1-CG 4.03Å; L52-L74 PolarHBondContact O-N 3.08Å; I53-L74 WeakPolarHBondContact CA-O 3.35Å; I53-L74 HydrophobicContact CG1-CB 4.4Å; V54-L74 WeakPolarHBondContact CG1-O 3.06Å; V54-L74 PolarHBondContact N-O 2.92Å; C72-L74 VanDerWaalsContact SG-CD2 3.51Å; L74-L99 HydrophobicContact CB-CD1 3.96Å; L74-L99 HydrophobicContact CD1-CB 4.35Å; L74-L99 HydrophobicContact CD1-CD1 4.34Å; L74-L99 HydrophobicContact CD1-CD2 4.23Å
75Q95.5Very high81.5Confident61 Ų6168.1 Ų68.129%0.28534%0.342SS..EExtended strand (participates in β ladder)trans-113.2137.1-175.1-179.3-174.9-28.500111.6V54 T56 L59V54-Q75 CarbonylContact O-C 3.53Å; V54-Q75 VanDerWaalsContact O-CA 3.3Å; V54-Q75 WeakPolarHBondContact O-CA 3.3Å; T56-Q75 PolarHBondContact OG1-NE2 2.91Å; L59-Q75 VanDerWaalsContact CD2-OE1 3.28Å
76V93.4Very high80.3Confident2 Ų266 Ų661%0.01233%0.329CS..EExtended strand (participates in β ladder)trans-122.8146.7169.6-60.60000111.3L31 I53 V54 S55 T56 D95 V96 L99L31-V76 HydrophobicContact CD2-CG2 3.48Å; L31-V76 VanDerWaalsContact CD2-CG2 3.48Å; I53-V76 HydrophobicContact CG2-CG1 3.78Å; I53-V76 HydrophobicContact CG2-CG2 4.26Å; V54-V76 PolarHBondContact O-N 2.92Å; S55-V76 CarbonylContact C-O 3.58Å; S55-V76 VanDerWaalsContact CA-O 3.28Å; S55-V76 WeakPolarHBondContact CA-O 3.49Å; T56-V76 PolarHBondContact N-O 3.26Å; T56-V76 PolarHBondContact OG1-O 3.01Å; V76-D95 HydrophobicContact CB-CB 4.04Å; V76-D95 HydrophobicContact CG1-CB 3.83Å; V76-V96 HydrophobicContact CB-CG2 4.44Å; V76-V96 HydrophobicContact CG1-CG2 4.03Å; V76-V96 HydrophobicContact CG2-CG2 4Å; V76-L99 HydrophobicContact CG1-CD1 3.5Å; V76-L99 VanDerWaalsContact CG1-CD1 3.5Å
77D86.3Confident79.4Confident101 Ų10166.2 Ų66.254%0.5433%0.33SS..  trans-86.7137.4164.3-164-12.2000108.7G79D77-G79 PolarHBondContact O-N 3.29Å; D77-G79 PolarHBondContact OD1-N 3.49Å
78K71.6Confident78.8Confident54 Ų5464.1 Ų64.124%0.23532%0.32CS..  trans-72.3-14.1171.1-73-178.3165.3-172.60112L31 W85 Y93L31-K78 VanDerWaalsContact C-CE 3.45Å; L31-K78 VanDerWaalsContact CB-CE 3.46Å; L31-K78 WeakPolarHBondContact O-CE 3.46Å; L31-K78 PolarHBondContact O-NZ 2.91Å; K78-W85 HydrophobicContact CD-CZ2 4.32Å; K78-W85 VanDerWaalsContact CE-CZ2 3.42Å; K78-Y93 HydrophobicContact CB-CE1 4.03Å; K78-Y93 HydrophobicContact CG-CE1 4Å
79G66.6Low77.9Confident44 Ų4460.4 Ų60.445%0.45431%0.307SS..  trans66.8175.1-167.600000112.1D77 V81D77-G79 PolarHBondContact O-N 3.29Å; D77-G79 PolarHBondContact OD1-N 3.49Å; G79-V81 VanDerWaalsContact C-N 3.33Å
80K52.2Low77Confident211 Ų21161.8 Ų61.892%0.91732%0.318SS*.SBendtrans-80.9-11.5177.4-69.7-175.9-178.8176.60113.7K82K80-K82 PolarHBondContact O-N 2.96Å
81V51.3Low76.4Confident110 Ų11061.7 Ų61.767%0.66732%0.318SS*.  trans-62.7116.1-176.6-1740000107.2G79 K83G79-V81 VanDerWaalsContact C-N 3.33Å; V81-K83 HydrophobicContact CB-CG 4.44Å; V81-K83 HydrophobicContact CG1-CG 3.93Å; V81-K83 PolarHBondContact O-N 3.46Å
82K50.1Low75.9Confident200 Ų20062.1 Ų62.187%0.8731%0.309SS*.  trans-65.162.8166.3-70.3178.7179.4172.70108K80 N84K80-K82 PolarHBondContact O-N 2.96Å; K82-N84 PolarHBondContact O-N 3.37Å
83K54.8Low75.6Confident68 Ų6862.7 Ų62.730%0.29631%0.311SS..  trans-55.5119.8162.3-73.7-164.6173.6-166.90104.3V81 W85 Y92V81-K83 HydrophobicContact CB-CG 4.44Å; V81-K83 HydrophobicContact CG1-CG 3.93Å; V81-K83 PolarHBondContact O-N 3.46Å; K83-W85 VanDerWaalsContact C-N 3.26Å; K83-W85 PolarHBondContact O-N 3.02Å; K83-Y92 WeakPolarHBondContact CE-O 3.34Å; K83-Y92 PolarHBondContact NZ-O 2.8Å
84N62.2Low75.3Confident83 Ų8367.9 Ų67.944%0.44434%0.338SS..  trans-66.596.3-176.3-173.97.4000105.8K82 R86 N87K82-N84 PolarHBondContact O-N 3.37Å; N84-R86 PolarHBondContact O-N 3.26Å; N84-R86 VanDerWaalsContact OD1-CB 3.24Å; N84-R86 WeakPolarHBondContact OD1-CB 3.45Å; N84-R86 WeakPolarHBondContact OD1-CD 3.41Å; N84-R86 PolarHBondContact OD1-N 3.32Å; N84-N87 HydrophobicContact CB-CB 4.34Å; N84-N87 PolarHBondContact O-N 3.16Å
85W69Low75.1Confident68 Ų6871 Ų7126%0.25836%0.355SS..THydrogen-bonded Turntrans-53.6-7.5175.8-89.963.9000113L31 K78 K83 Y93 E119 P121 L122L31-W85 HydrophobicContact CB-CH2 3.99Å; L31-W85 HydrophobicContact CB-CZ2 4.19Å; K78-W85 HydrophobicContact CD-CZ2 4.32Å; K78-W85 VanDerWaalsContact CE-CZ2 3.42Å; K83-W85 VanDerWaalsContact C-N 3.26Å; K83-W85 PolarHBondContact O-N 3.02Å; W85-Y93 HydrophobicContact CZ2-CE2 4.36Å; W85-Y93 WeakPolarHBondContact CZ2-OH 2.91Å; W85-Y93 PolarHBondContact NE1-OH 2.95Å; W85-E119 VanDerWaalsContact CH2-OE2 3.23Å; W85-E119 WeakPolarHBondContact CH2-OE2 3.36Å; W85-E119 WeakPolarHBondContact CZ3-OE2 3.36Å; W85-P121 HydrophobicContact CD2-CB 4.46Å; W85-P121 HydrophobicContact CD2-CG 4.49Å; W85-P121 HydrophobicContact CE3-CB 3.98Å; W85-P121 HydrophobicContact CE3-CG 3.67Å; W85-P121 HydrophobicContact CZ3-CB 4.27Å; W85-P121 HydrophobicContact CZ3-CG 4.05Å; W85-P121 VanDerWaalsContact O-CG 3.23Å; W85-P121 WeakPolarHBondContact O-CG 3.49Å; W85-L122 HydrophobicContact CH2-CD1 4.5Å; W85-L122 HydrophobicContact CH2-CD2 4.19Å; W85-L122 HydrophobicContact CH2-CG 4.39Å
86R69.8Low75.1Confident68 Ų6868.1 Ų68.126%0.25734%0.341SS..THydrogen-bonded Turntrans-96.7-19.8178.5-53.8158.1159.3-164.7-17.3113.3N84 H200 G201 C202 V205N84-R86 PolarHBondContact O-N 3.26Å; N84-R86 VanDerWaalsContact OD1-CB 3.24Å; N84-R86 WeakPolarHBondContact OD1-CB 3.45Å; N84-R86 WeakPolarHBondContact OD1-CD 3.41Å; N84-R86 PolarHBondContact OD1-N 3.32Å; R86-H200 VanDerWaalsContact O-O 3.06Å; R86-G201 WeakPolarHBondContact O-CA 3.3Å; R86-C202 PolarHBondContact O-N 3.08Å; R86-V205 HydrophobicContact CG-CG2 4.25Å
87N76.6Confident75.2Confident12 Ų1268.6 Ų68.66%0.06435%0.346CS..BIsolated β-bridgetrans-90.9108.4167.4-174.7-0.2000108.6N84 S89 D90 H200N84-N87 HydrophobicContact CB-CB 4.34Å; N84-N87 PolarHBondContact O-N 3.16Å; N87-S89 VanDerWaalsContact CG-OG 3.26Å; N87-S89 PolarHBondContact ND2-OG 3.18Å; N87-S89 PolarHBondContact O-N 3.41Å; N87-S89 PolarHBondContact OD1-N 3.07Å; N87-S89 PolarHBondContact OD1-OG 3.14Å; N87-D90 VanDerWaalsContact ND2-CG 3.3Å; N87-D90 PolarHBondContact ND2-OD2 2.9Å; N87-H200 WeakPolarHBondContact OD1-CB 3.43Å
88L80.7Confident75.7Confident5 Ų566.4 Ų66.43%0.02634%0.336CS..THydrogen-bonded Turntrans-72.6-6.9-177.3-56.3178.2000113.6E120 P121 R124 V147 H200 C202L88-E120 HydrophobicContact CD1-CG 3.97Å; L88-E120 HydrophobicContact CD2-CB 4.47Å; L88-E120 HydrophobicContact CD2-CG 3.88Å; L88-P121 HydrophobicContact CD2-CB 4.12Å; L88-P121 HydrophobicContact CD2-CG 4.15Å; L88-R124 PolarHBondContact O-NE 2.93Å; L88-V147 HydrophobicContact CB-CB 4.3Å; L88-V147 HydrophobicContact CD1-CB 3.84Å; L88-V147 HydrophobicContact CD1-CG1 4.19Å; L88-H200 PolarHBondContact N-O 3.26Å; L88-H200 VanDerWaalsContact N-O 3.14Å; L88-C202 HydrophobicContact CD1-CB 4.34Å; L88-C202 HydrophobicContact CD2-CB 4.3Å; L88-C202 HydrophobicContact CG-CB 4.45Å
89S76.3Confident77Confident46 Ų4663.9 Ų63.932%0.32233%0.325SS..THydrogen-bonded Turntrans-84.1-26.5177.465.70000114.4N87N87-S89 VanDerWaalsContact CG-OG 3.26Å; N87-S89 PolarHBondContact ND2-OG 3.18Å; N87-S89 PolarHBondContact O-N 3.41Å; N87-S89 PolarHBondContact OD1-N 3.07Å; N87-S89 PolarHBondContact OD1-OG 3.14Å
90D75.9Confident78.5Confident92 Ų9261.8 Ų61.849%0.49230%0.303SS..SBendtrans-107.90.6-163.3-57.5-15.7000114.1N87 Y92N87-D90 VanDerWaalsContact ND2-CG 3.3Å; N87-D90 PolarHBondContact ND2-OD2 2.9Å; D90-Y92 PolarHBondContact O-N 3.1Å
91V83.5Confident80.6Confident8 Ų856 Ų565%0.04828%0.28CS..  trans-83.9110.4-175-179.30000109.7Y93 P121 L122V91-Y93 HydrophobicContact CG1-CD2 4.45Å; V91-Y93 HydrophobicContact CG1-CE2 3.63Å; V91-P121 VanDerWaalsContact CB-O 3.25Å; V91-P121 WeakPolarHBondContact CB-O 3.48Å; V91-P121 HydrophobicContact CG1-CB 4.36Å; V91-P121 VanDerWaalsContact CG1-O 3.31Å; V91-P121 WeakPolarHBondContact CG1-O 3.33Å; V91-P121 HydrophobicContact CG2-CB 4.07Å; V91-L122 HydrophobicContact CG1-CD2 3.8Å
92Y85.9Confident82.9Confident62 Ų6251.7 Ų51.724%0.24326%0.256CS..  trans-147.2147176.7-164.3-96.8000109.7K83 D90 D94 A97 M125 H128K83-Y92 WeakPolarHBondContact CE-O 3.34Å; K83-Y92 PolarHBondContact NZ-O 2.8Å; D90-Y92 PolarHBondContact O-N 3.1Å; Y92-D94 WeakPolarHBondContact CD1-OD1 3.39Å; Y92-D94 WeakPolarHBondContact CE1-OD1 3.37Å; Y92-A97 HydrophobicContact CE1-CB 4.26Å; Y92-A97 WeakPolarHBondContact OH-CB 3.28Å; Y92-M125 HydrophobicContact CD2-CB 4.32Å; Y92-M125 HydrophobicContact CD2-CG 3.65Å; Y92-M125 HydrophobicContact CD2-SD 4.43Å; Y92-M125 HydrophobicContact CE2-CG 3.91Å; Y92-M125 HydrophobicContact CG-CG 4.46Å; Y92-H128 AromaticContact CE2-CD2 3.8Å
93Y90Very high85.2Confident16 Ų1642.2 Ų42.26%0.06321%0.214CC..  trans-134.6111.6177.8-62.7-84.2000109.7L31 K78 W85 V91 D95 V96 A97 L122 M125L31-Y93 HydrophobicContact CD1-CD2 3.54Å; L31-Y93 HydrophobicContact CD1-CE2 3.61Å; L31-Y93 HydrophobicContact CD1-CG 4.17Å; K78-Y93 HydrophobicContact CB-CE1 4.03Å; K78-Y93 HydrophobicContact CG-CE1 4Å; W85-Y93 HydrophobicContact CZ2-CE2 4.36Å; W85-Y93 WeakPolarHBondContact CZ2-OH 2.91Å; W85-Y93 PolarHBondContact NE1-OH 2.95Å; V91-Y93 HydrophobicContact CG1-CD2 4.45Å; V91-Y93 HydrophobicContact CG1-CE2 3.63Å; Y93-D95 VanDerWaalsContact C-N 3.25Å; Y93-D95 PolarHBondContact O-N 3.05Å; Y93-V96 HydrophobicContact CG-CG2 4.36Å; Y93-V96 WeakPolarHBondContact O-CB 3.47Å; Y93-V96 PolarHBondContact O-N 3.38Å; Y93-A97 PolarHBondContact O-N 2.8Å; Y93-A97 VanDerWaalsContact O-N 3.14Å; Y93-L122 HydrophobicContact CD2-CD2 4.29Å; Y93-L122 HydrophobicContact CE2-CD2 3.79Å; Y93-M125 HydrophobicContact CD2-CE 4.4Å; Y93-M125 HydrophobicContact CD2-SD 3.8Å
94D91.3Very high87.2Confident113 Ų11339.6 Ų39.660%0.60420%0.204SC*.Hα-helixtrans-59.6-39.9-178.8-57.1-40.7000111.1Y92 V96 A97 T98Y92-D94 WeakPolarHBondContact CD1-OD1 3.39Å; Y92-D94 WeakPolarHBondContact CE1-OD1 3.37Å; D94-V96 VanDerWaalsContact C-N 3.26Å; D94-V96 PolarHBondContact O-N 3.27Å; D94-A97 WeakPolarHBondContact O-CB 3.38Å; D94-A97 PolarHBondContact O-N 2.9Å; D94-T98 PolarHBondContact O-N 2.68Å; D94-T98 PolarHBondContact O-OG1 3.15Å
95D93.7Very high88.9Confident67 Ų6739.6 Ų39.636%0.35822%0.216SC..Hα-helixtrans-58.2-37.4175.6-78-9.3000112.9M1 V76 Y93 L99M1-D95 VanDerWaalsContact CE-CA 3.47Å; M1-D95 HydrophobicContact CE-CB 3.63Å; M1-D95 WeakPolarHBondContact CE-OD1 3.4Å; V76-D95 HydrophobicContact CB-CB 4.04Å; V76-D95 HydrophobicContact CG1-CB 3.83Å; Y93-D95 VanDerWaalsContact C-N 3.25Å; Y93-D95 PolarHBondContact O-N 3.05Å; D95-L99 VanDerWaalsContact O-CG 3.29Å; D95-L99 WeakPolarHBondContact O-CG 3.35Å; D95-L99 PolarHBondContact O-N 2.81Å; D95-L99 VanDerWaalsContact O-N 3.16Å
96V95.6Very high90.2Very high0 Ų038 Ų380%021%0.213CC..Hα-helixtrans-69.1-43.5176.5176.70000109.9V29 L31 I53 V76 Y93 D94 T98 L99 V100 M125 L129V29-V96 HydrophobicContact CG1-CG1 4.09Å; V29-V96 HydrophobicContact CG2-CG1 4.15Å; L31-V96 HydrophobicContact CD1-CG2 4.05Å; L31-V96 HydrophobicContact CD2-CG2 4.46Å; I53-V96 HydrophobicContact CD1-CG1 4.4Å; I53-V96 HydrophobicContact CG2-CG2 4.22Å; V76-V96 HydrophobicContact CB-CG2 4.44Å; V76-V96 HydrophobicContact CG1-CG2 4.03Å; V76-V96 HydrophobicContact CG2-CG2 4Å; Y93-V96 HydrophobicContact CG-CG2 4.36Å; Y93-V96 WeakPolarHBondContact O-CB 3.47Å; Y93-V96 PolarHBondContact O-N 3.38Å; D94-V96 VanDerWaalsContact C-N 3.26Å; D94-V96 PolarHBondContact O-N 3.27Å; V96-T98 PolarHBondContact O-N 3.15Å; V96-L99 PolarHBondContact O-N 3.49Å; V96-V100 HydrophobicContact CG1-CG2 4.26Å; V96-V100 WeakPolarHBondContact O-CB 3.5Å; V96-V100 VanDerWaalsContact O-CG2 3.3Å; V96-V100 WeakPolarHBondContact O-CG2 3.4Å; V96-V100 PolarHBondContact O-N 3.35Å; V96-M125 HydrophobicContact CB-CE 4.37Å; V96-M125 HydrophobicContact CG1-CE 3.89Å; V96-L129 HydrophobicContact CG1-CD1 4.27Å
97A95.6Very high91.3Very high13 Ų1335.8 Ų35.811%0.10721%0.208CC..Hα-helixtrans-59.5-46.7178.100000111.6Y92 Y93 D94 L99 V100 E101 L129Y92-A97 HydrophobicContact CE1-CB 4.26Å; Y92-A97 WeakPolarHBondContact OH-CB 3.28Å; Y93-A97 PolarHBondContact O-N 2.8Å; Y93-A97 VanDerWaalsContact O-N 3.14Å; D94-A97 WeakPolarHBondContact O-CB 3.38Å; D94-A97 PolarHBondContact O-N 2.9Å; A97-L99 VanDerWaalsContact C-N 3.34Å; A97-L99 PolarHBondContact O-N 2.79Å; A97-V100 PolarHBondContact O-N 2.97Å; A97-E101 WeakPolarHBondContact O-CB 3.21Å; A97-E101 PolarHBondContact O-N 3.25Å; A97-L129 HydrophobicContact CB-CD2 3.8Å
98T96.5Very high92.1Very high55 Ų5540 Ų4034%0.33724%0.237SC..Hα-helixtrans-60.5-40.6177-580000112.5M1 D94 V96 A102M1-T98 HydrophobicContact CE-CG2 4.16Å; M1-T98 HydrophobicContact CG-CG2 3.81Å; M1-T98 HydrophobicContact SD-CG2 3.75Å; D94-T98 PolarHBondContact O-N 2.68Å; D94-T98 PolarHBondContact O-OG1 3.15Å; V96-T98 PolarHBondContact O-N 3.15Å; T98-A102 WeakPolarHBondContact O-CB 3.36Å; T98-A102 PolarHBondContact O-N 2.82Å
99L98.2Very high92.8Very high0 Ų040 Ų400%024%0.237CC..Hα-helixtrans-71.9-36178-68.5178.7000112.6M1 Q4 V5 I53 L74 V76 D95 V96 A97 A102 T103M1-L99 HydrophobicContact CE-CG 4.29Å; M1-L99 HydrophobicContact SD-CD2 3.48Å; M1-L99 WeakPolarHBondContact SD-CD2 3.32Å; M1-L99 HydrophobicContact SD-CG 3.86Å; Q4-L99 HydrophobicContact CB-CD2 3.72Å; V5-L99 HydrophobicContact CG2-CD2 4.27Å; I53-L99 HydrophobicContact CD1-CB 3.89Å; I53-L99 HydrophobicContact CG2-CD1 4.3Å; L74-L99 HydrophobicContact CB-CD1 3.96Å; L74-L99 HydrophobicContact CD1-CB 4.35Å; L74-L99 HydrophobicContact CD1-CD1 4.34Å; L74-L99 HydrophobicContact CD1-CD2 4.23Å; V76-L99 HydrophobicContact CG1-CD1 3.5Å; V76-L99 VanDerWaalsContact CG1-CD1 3.5Å; D95-L99 VanDerWaalsContact O-CG 3.29Å; D95-L99 WeakPolarHBondContact O-CG 3.35Å; D95-L99 PolarHBondContact O-N 2.81Å; D95-L99 VanDerWaalsContact O-N 3.16Å; V96-L99 PolarHBondContact O-N 3.49Å; A97-L99 VanDerWaalsContact C-N 3.34Å; A97-L99 PolarHBondContact O-N 2.79Å; L99-A102 PolarHBondContact O-N 2.82Å; L99-T103 WeakPolarHBondContact O-CB 3.41Å; L99-T103 PolarHBondContact O-N 2.9Å; L99-T103 PolarHBondContact O-OG1 3.11Å
100V98.2Very high93.7Very high0 Ų046.3 Ų46.30%026%0.261CS..Hα-helixtrans-63.4-47.7173.7168.10000110.4V27 I53 V96 A97 A102 T103 C104 L115 L129 W133 F135V27-V100 HydrophobicContact CG1-CG2 4.15Å; I53-V100 HydrophobicContact CD1-CG2 3.91Å; V96-V100 HydrophobicContact CG1-CG2 4.26Å; V96-V100 WeakPolarHBondContact O-CB 3.5Å; V96-V100 VanDerWaalsContact O-CG2 3.3Å; V96-V100 WeakPolarHBondContact O-CG2 3.4Å; V96-V100 PolarHBondContact O-N 3.35Å; A97-V100 PolarHBondContact O-N 2.97Å; V100-A102 PolarHBondContact O-N 3.42Å; V100-T103 WeakPolarHBondContact O-CB 3.37Å; V100-T103 PolarHBondContact O-N 2.84Å; V100-C104 PolarHBondContact O-N 2.95Å; V100-C104 PolarHBondContact O-SG 3.21Å; V100-L115 HydrophobicContact CG2-CD1 4.27Å; V100-L129 HydrophobicContact CG2-CD1 4.26Å; V100-W133 HydrophobicContact CG1-CG 4.45Å; V100-F135 HydrophobicContact CG1-CE2 3.63Å; V100-F135 HydrophobicContact CG1-CZ 3.94Å
101E98.1Very high94.6Very high91 Ų9143.5 Ų43.543%0.42525%0.254SS..Hα-helixtrans-55.2-51.9173.6170.5171.8-159.600111.7A97 T103 C104 A105 W133A97-E101 WeakPolarHBondContact O-CB 3.21Å; A97-E101 PolarHBondContact O-N 3.25Å; E101-T103 PolarHBondContact O-N 3.24Å; E101-C104 WeakPolarHBondContact O-CB 2.94Å; E101-C104 PolarHBondContact O-N 3.43Å; E101-C104 VanDerWaalsContact O-N 3.1Å; E101-A105 PolarHBondContact O-N 2.84Å; E101-W133 HydrophobicContact CB-CH2 3.91Å; E101-W133 HydrophobicContact CB-CZ2 3.44Å; E101-W133 VanDerWaalsContact CB-CZ2 3.44Å; E101-W133 HydrophobicContact CG-CH2 3.39Å; E101-W133 HydrophobicContact CG-CZ2 3.44Å; E101-W133 VanDerWaalsContact CG-CZ2 3.44Å; E101-W133 HydrophobicContact CG-CZ3 4.18Å; E101-W133 WeakPolarHBondContact OE1-CH2 3.24Å
102A98.2Very high95.2Very high19 Ų1944.2 Ų44.216%0.15726%0.262CS..Hα-helixtrans-59.6-33.7179.200000112.5V5 L8 T98 L99 V100 A105V5-A102 HydrophobicContact CG1-CB 4.28Å; V5-A102 HydrophobicContact CG2-CB 4.03Å; L8-A102 HydrophobicContact CD2-CB 4.1Å; T98-A102 WeakPolarHBondContact O-CB 3.36Å; T98-A102 PolarHBondContact O-N 2.82Å; L99-A102 PolarHBondContact O-N 2.82Å; V100-A102 PolarHBondContact O-N 3.42Å; A102-A105 PolarHBondContact O-N 2.88Å
103T98.2Very high95.7Very high0 Ų043 Ų430%026%0.258CS..Hα-helixtrans-69.7-44.2175.5-52.30000111.3L8 L25 V27 V51 L99 V100 E101 A105 L106 F109L8-T103 HydrophobicContact CD1-CG2 4.39Å; L8-T103 WeakPolarHBondContact CD2-OG1 3.43Å; L25-T103 HydrophobicContact CD1-CG2 3.4Å; L25-T103 HydrophobicContact CD2-CG2 3.87Å; L25-T103 HydrophobicContact CG-CG2 4.27Å; V27-T103 HydrophobicContact CG2-CG2 3.96Å; V51-T103 HydrophobicContact CG2-CG2 3.87Å; L99-T103 WeakPolarHBondContact O-CB 3.41Å; L99-T103 PolarHBondContact O-N 2.9Å; L99-T103 PolarHBondContact O-OG1 3.11Å; V100-T103 WeakPolarHBondContact O-CB 3.37Å; V100-T103 PolarHBondContact O-N 2.84Å; E101-T103 PolarHBondContact O-N 3.24Å; T103-A105 PolarHBondContact O-N 2.65Å; T103-L106 HydrophobicContact CG2-CD1 4.34Å; T103-L106 WeakPolarHBondContact O-CB 3.34Å; T103-L106 WeakPolarHBondContact O-CG 3.49Å; T103-L106 PolarHBondContact O-N 2.75Å; T103-F109 WeakPolarHBondContact O-CE2 3.18Å
104C97.7Very high96Very high13 Ų1343.4 Ų43.49%0.08826%0.261CS..Hα-helixtrans-62.9-27.2175.2-73.60000113.5V100 E101 L106 A107 W133 F135V100-C104 PolarHBondContact O-N 2.95Å; V100-C104 PolarHBondContact O-SG 3.21Å; E101-C104 WeakPolarHBondContact O-CB 2.94Å; E101-C104 PolarHBondContact O-N 3.43Å; E101-C104 VanDerWaalsContact O-N 3.1Å; C104-L106 VanDerWaalsContact C-N 3.31Å; C104-A107 VanDerWaalsContact O-O 3.12Å; C104-W133 HydrophobicContact CB-CE3 4.3Å; C104-F135 WeakPolarHBondContact SG-CE2 3.5Å; C104-F135 WeakPolarHBondContact SG-CZ 3.47Å
105A97.3Very high96.3Very high83 Ų8338 Ų3869%0.68623%0.232SC*.THydrogen-bonded Turntrans-79.2-8.2-179.600000114.2E101 A102 T103E101-A105 PolarHBondContact O-N 2.84Å; A102-A105 PolarHBondContact O-N 2.88Å; T103-A105 PolarHBondContact O-N 2.65Å
106L96.6Very high96.4Very high36 Ų3635 Ų3519%0.18822%0.215CC..SBendtrans-67.8-41.5-179.4-65.9171.8000112.6L8 K9 W12 F49 T103 C104 F109L8-L106 HydrophobicContact CD1-CD1 3.81Å; L8-L106 HydrophobicContact CD2-CD1 4.36Å; L8-L106 HydrophobicContact CG-CD1 3.88Å; L8-L106 HydrophobicContact CG-CD2 4.42Å; K9-L106 HydrophobicContact CG-CD2 4.06Å; W12-L106 HydrophobicContact CB-CD1 3.94Å; W12-L106 HydrophobicContact CB-CD2 4.07Å; W12-L106 HydrophobicContact CB-CG 4.49Å; W12-L106 HydrophobicContact CD2-CB 4.16Å; W12-L106 HydrophobicContact CD2-CD1 4.32Å; W12-L106 HydrophobicContact CE3-CD1 4.36Å; W12-L106 HydrophobicContact CG-CB 4.19Å; W12-L106 HydrophobicContact CG-CD1 4.14Å; W12-L106 HydrophobicContact CG-CD2 4.17Å; W12-L106 HydrophobicContact CG-CG 4.41Å; F49-L106 HydrophobicContact CD1-CD1 4.37Å; F49-L106 HydrophobicContact CE1-CD1 3.7Å; F49-L106 HydrophobicContact CZ-CD1 4.35Å; T103-L106 HydrophobicContact CG2-CD1 4.34Å; T103-L106 WeakPolarHBondContact O-CB 3.34Å; T103-L106 WeakPolarHBondContact O-CG 3.49Å; T103-L106 PolarHBondContact O-N 2.75Å; C104-L106 VanDerWaalsContact C-N 3.31Å; L106-F109 HydrophobicContact CB-CE2 4.39Å; L106-F109 HydrophobicContact CB-CZ 4.19Å
107A93.7Very high96.4Very high20 Ų2035.2 Ų35.217%0.16522%0.217CC..  trans-158.6162.7-173.700000110.1W12 C104 F109W12-A107 HydrophobicContact CH2-CB 3.82Å; W12-A107 HydrophobicContact CZ2-CB 3.61Å; C104-A107 VanDerWaalsContact O-O 3.12Å; A107-F109 VanDerWaalsContact C-N 3.26Å; A107-F109 HydrophobicContact CB-CD1 4.37Å; A107-F109 HydrophobicContact CB-CD2 4.32Å; A107-F109 HydrophobicContact CB-CE1 4.11Å; A107-F109 HydrophobicContact CB-CE2 4.04Å; A107-F109 HydrophobicContact CB-CG 4.48Å; A107-F109 HydrophobicContact CB-CZ 3.94Å; A107-F109 WeakPolarHBondContact O-CD2 3.38Å; A107-F109 WeakPolarHBondContact O-CE2 3.4Å; A107-F109 PolarHBondContact O-N 3Å
108P92.9Very high96.2Very high101 Ų10134.9 Ų34.966%0.65621%0.214SC*.  trans-67.6-23.7176.825.5-34.2000113.9Q110P108-Q110 HydrophobicContact CB-CG 4.33Å; P108-Q110 HydrophobicContact CG-CG 4.35Å
109F95.9Very high95.9Very high6 Ų632.9 Ų32.93%0.02620%0.2CC..  trans4861.3-175.2-57.4-72.4000113.1W12 D23 L25 F49 T103 L106 A107 G111 G112 K113W12-F109 HydrophobicContact CE3-CE1 4.41Å; W12-F109 HydrophobicContact CE3-CZ 4.42Å; W12-F109 AromaticContact CH2-CE1 3.91Å; W12-F109 HydrophobicContact CH2-CE1 3.91Å; W12-F109 HydrophobicContact CH2-CZ 4.39Å; W12-F109 AromaticContact CZ3-CE1 3.6Å; W12-F109 HydrophobicContact CZ3-CE1 3.6Å; W12-F109 HydrophobicContact CZ3-CZ 4.01Å; D23-F109 CarbonylContact O-C 3.52Å; D23-F109 WeakPolarHBondContact O-CA 3.14Å; L25-F109 HydrophobicContact CB-CB 4.18Å; L25-F109 HydrophobicContact CB-CD1 3.69Å; L25-F109 HydrophobicContact CB-CD2 3.91Å; L25-F109 HydrophobicContact CB-CE1 3.96Å; L25-F109 HydrophobicContact CB-CE2 4.19Å; L25-F109 HydrophobicContact CB-CG 3.65Å; L25-F109 HydrophobicContact CB-CZ 4.2Å; L25-F109 HydrophobicContact CD1-CE1 4.44Å; L25-F109 HydrophobicContact CD1-CE2 4.48Å; L25-F109 HydrophobicContact CD1-CZ 4.18Å; L25-F109 HydrophobicContact CD2-CD2 3.94Å; L25-F109 HydrophobicContact CD2-CE2 3.86Å; L25-F109 HydrophobicContact CD2-CZ 4.37Å; L25-F109 HydrophobicContact CG-CD2 4.47Å; L25-F109 HydrophobicContact CG-CE2 4.4Å; L25-F109 HydrophobicContact CG-CZ 4.48Å; F49-F109 HydrophobicContact CB-CE1 4.23Å; T103-F109 WeakPolarHBondContact O-CE2 3.18Å; L106-F109 HydrophobicContact CB-CE2 4.39Å; L106-F109 HydrophobicContact CB-CZ 4.19Å; A107-F109 VanDerWaalsContact C-N 3.26Å; A107-F109 HydrophobicContact CB-CD1 4.37Å; A107-F109 HydrophobicContact CB-CD2 4.32Å; A107-F109 HydrophobicContact CB-CE1 4.11Å; A107-F109 HydrophobicContact CB-CE2 4.04Å; A107-F109 HydrophobicContact CB-CG 4.48Å; A107-F109 HydrophobicContact CB-CZ 3.94Å; A107-F109 WeakPolarHBondContact O-CD2 3.38Å; A107-F109 WeakPolarHBondContact O-CE2 3.4Å; A107-F109 PolarHBondContact O-N 3Å; F109-G111 PolarHBondContact O-N 2.7Å; F109-G112 PolarHBondContact O-N 2.7Å; F109-K113 HydrophobicContact CB-CG 3.96Å
110Q94.8Very high95.5Very high178 Ų17834.4 Ų34.483%0.83221%0.207SC*.THydrogen-bonded Turntrans-61.5-25.4-175.8-67.6-177.5-22.700113.7D23 P108 G112D23-Q110 PolarHBondContact O-N 3.47Å; P108-Q110 HydrophobicContact CB-CG 4.33Å; P108-Q110 HydrophobicContact CG-CG 4.35Å; Q110-G112 PolarHBondContact O-N 2.42Å
111G94.6Very high95Very high33 Ų3335.1 Ų35.134%0.3421%0.212SC..THydrogen-bonded Turntrans-74-7.1174.700000114D23 F109D23-G111 WeakPolarHBondContact O-CA 2.92Å; D23-G111 PolarHBondContact O-N 3.39Å; F109-G111 PolarHBondContact O-N 2.7Å
112G95.7Very high94.7Very high22 Ų2230.8 Ų30.823%0.22719%0.192CC..EExtended strand (participates in β ladder)trans110167.1175.300000114K24 L25 F109 Q110K24-G112 WeakPolarHBondContact CA-O 3.4Å; L25-G112 PolarHBondContact N-O 3.16Å; F109-G112 PolarHBondContact O-N 2.7Å; Q110-G112 PolarHBondContact O-N 2.42Å
113K97.3Very high94.5Very high38 Ų3830.2 Ų30.217%0.16519%0.186CC..EExtended strand (participates in β ladder)trans-130.1134.8-176.5-45.5175.6-167.6173.80110.3L25 F109 W133 F135 M136L25-K113 HydrophobicContact CB-CB 4.24Å; L25-K113 HydrophobicContact CB-CG 4.19Å; L25-K113 HydrophobicContact CD2-CB 4.45Å; L25-K113 HydrophobicContact CD2-CD 4.39Å; L25-K113 HydrophobicContact CD2-CG 4.38Å; L25-K113 CarbonylContact O-C 3.43Å; L25-K113 WeakPolarHBondContact O-CA 3.35Å; F109-K113 HydrophobicContact CB-CG 3.96Å; K113-W133 PolarHBondContact NZ-O 3.31Å; K113-F135 VanDerWaalsContact C-CD1 3.5Å; K113-F135 HydrophobicContact CB-CB 4.38Å; K113-F135 HydrophobicContact CB-CD1 3.29Å; K113-F135 HydrophobicContact CB-CE1 3.65Å; K113-F135 HydrophobicContact CB-CG 3.87Å; K113-F135 HydrophobicContact CB-CZ 4.46Å; K113-F135 WeakPolarHBondContact O-CA 3.08Å; K113-M136 PolarHBondContact O-N 3.4Å
114Q96.9Very high94.2Very high23 Ų2333.2 Ų33.211%0.10720%0.197CC..EExtended strand (participates in β ladder)trans-119.5128.6174.1-65.3-66.9-7.600111.2L25 L26 V27 N355 V356L25-Q114 PolarHBondContact O-N 2.91Å; L26-Q114 CarbonylContact C-O 3.52Å; L26-Q114 WeakPolarHBondContact CA-O 3.48Å; L26-Q114 HydrophobicContact CD1-CB 3.71Å; V27-Q114 PolarHBondContact N-O 2.92Å; Q114-N355 VanDerWaalsContact CD-O 3.25Å; Q114-N355 HydrophobicContact CG-CB 4.35Å; Q114-N355 VanDerWaalsContact CG-O 3.24Å; Q114-N355 WeakPolarHBondContact CG-O 3.2Å; Q114-N355 PolarHBondContact NE2-O 3.46Å; Q114-V356 HydrophobicContact CG-CG1 4.29Å
115L97.4Very high94Very high1 Ų132.7 Ų32.71%0.00519%0.194CC..EExtended strand (participates in β ladder)trans-115.4115.2172.117662.4000107.8V27 V29 V100 C126 L129 R130 F135V27-L115 HydrophobicContact CB-CD1 3.75Å; V27-L115 HydrophobicContact CG1-CD1 3.75Å; V27-L115 CarbonylContact O-C 3.57Å; V27-L115 WeakPolarHBondContact O-CA 3.17Å; V29-L115 HydrophobicContact CG2-CD1 3.71Å; V100-L115 HydrophobicContact CG2-CD1 4.27Å; L115-C126 HydrophobicContact CD2-CB 4.11Å; L115-C126 HydrophobicContact CG-CB 4.2Å; L115-L129 HydrophobicContact CD2-CB 3.5Å; L115-L129 HydrophobicContact CD2-CD1 4.25Å; L115-R130 HydrophobicContact CB-CG 3.95Å; L115-R130 HydrophobicContact CD2-CG 4.26Å; L115-R130 VanDerWaalsContact O-CZ 3.23Å; L115-R130 PolarHBondContact O-NE 2.87Å; L115-R130 PolarHBondContact O-NH2 3.01Å; L115-F135 HydrophobicContact CB-CB 4.16Å; L115-F135 HydrophobicContact CB-CD1 3.63Å; L115-F135 HydrophobicContact CB-CD2 4.3Å; L115-F135 HydrophobicContact CB-CE1 4Å; L115-F135 HydrophobicContact CB-CG 3.81Å; L115-F135 HydrophobicContact CB-CZ 4.49Å
116I95.9Very high94Very high2 Ų228.8 Ų28.81%0.0116%0.161CC..EExtended strand (participates in β ladder)trans-116.4142.7-171.9-57.5-176.7000110.3L26 V27 Y28 V29 L352 N355L26-I116 HydrophobicContact CD1-CD1 3.43Å; L26-I116 VanDerWaalsContact CD1-CD1 3.43Å; L26-I116 HydrophobicContact CD1-CG1 3.88Å; V27-I116 PolarHBondContact O-N 3.1Å; Y28-I116 HydrophobicContact CD2-CB 3.88Å; Y28-I116 HydrophobicContact CD2-CG2 3.79Å; Y28-I116 WeakPolarHBondContact CD2-O 3.45Å; Y28-I116 HydrophobicContact CE2-CG2 3.97Å; V29-I116 PolarHBondContact N-O 2.94Å; I116-L352 HydrophobicContact CB-CD2 4.49Å; I116-L352 HydrophobicContact CD1-CD2 4.11Å; I116-L352 HydrophobicContact CG2-CD2 4.11Å; I116-N355 HydrophobicContact CD1-CB 3.41Å; I116-N355 VanDerWaalsContact CD1-CB 3.41Å; I116-N355 HydrophobicContact CG1-CB 4.28Å
117T94.4Very high93.9Very high5 Ų527 Ų273%0.03115%0.152CC..  trans-145.3146.7160.3-168.90000109.5V29 E119 L122 V123 C126V29-T117 PolarHBondContact O-OG1 3.38Å; T117-E119 PolarHBondContact OG1-N 3.16Å; T117-L122 HydrophobicContact CG2-CB 3.78Å; T117-V123 HydrophobicContact CG2-CG2 4.28Å; T117-C126 HydrophobicContact CG2-CB 4.06Å; T117-C126 VanDerWaalsContact CG2-SG 3.59Å
118L92.3Very high94Very high7 Ų728.6 Ų28.64%0.03716%0.156CC..  trans-103.31175.1-77.6-177.4000112.7Y28 L307 L330 E348 H351Y28-L118 HydrophobicContact CE2-CG 4.37Å; L118-L307 HydrophobicContact CD2-CD1 4.06Å; L118-L330 HydrophobicContact CB-CB 3.91Å; L118-L330 HydrophobicContact CD1-CB 4.31Å; L118-L330 HydrophobicContact CD1-CD1 4.42Å; L118-L330 HydrophobicContact CD2-CB 4.1Å; L118-L330 HydrophobicContact CG-CB 4.34Å; L118-L330 PolarHBondContact O-N 3.46Å; L118-E348 HydrophobicContact CD1-CB 3.92Å; L118-E348 HydrophobicContact CD1-CG 3.55Å; L118-H351 HydrophobicContact CD2-CB 4.15Å; L118-H351 WeakPolarHBondContact CD2-CD2 3.4Å; L118-H351 VanDerWaalsContact CD2-CG 3.49Å
119E90.5Very high94.2Very high12 Ų1223.8 Ų23.86%0.05613%0.125CC..  trans-100.8119.1-174.6-59.8-172.5-14900110.7L31 G32 K33 W85 T117 P121 L122 V123L31-E119 PolarHBondContact N-OE1 3.02Å; G32-E119 WeakPolarHBondContact CA-OE2 3.37Å; G32-E119 PolarHBondContact N-OE1 3.18Å; G32-E119 PolarHBondContact N-OE2 3.33Å; K33-E119 PolarHBondContact N-OE1 3.08Å; W85-E119 VanDerWaalsContact CH2-OE2 3.23Å; W85-E119 WeakPolarHBondContact CH2-OE2 3.36Å; W85-E119 WeakPolarHBondContact CZ3-OE2 3.36Å; T117-E119 PolarHBondContact OG1-N 3.16Å; E119-P121 VanDerWaalsContact C-N 3.29Å; E119-P121 VanDerWaalsContact O-N 3.12Å; E119-L122 HydrophobicContact CB-CB 4.42Å; E119-L122 HydrophobicContact CB-CD1 3.99Å; E119-L122 HydrophobicContact CB-CG 4.03Å; E119-L122 HydrophobicContact CG-CD1 4.43Å; E119-L122 PolarHBondContact O-N 2.92Å; E119-V123 PolarHBondContact O-N 3.5Å
120E89.3Confident94.3Very high33 Ų3324.5 Ų24.515%0.15413%0.127CC..G310 helixtrans-42.7-47.4178.8-164.3175.6172.100114.3L88 L122 V123 C202 R329L88-E120 HydrophobicContact CD1-CG 3.97Å; L88-E120 HydrophobicContact CD2-CB 4.47Å; L88-E120 HydrophobicContact CD2-CG 3.88Å; E120-L122 PolarHBondContact O-N 3.24Å; E120-L122 VanDerWaalsContact O-N 3.16Å; E120-V123 PolarHBondContact O-N 3.34Å; E120-C202 VanDerWaalsContact OE1-CB 3.25Å; E120-C202 WeakPolarHBondContact OE1-CB 3.33Å; E120-R329 VanDerWaalsContact CD-CZ 3.49Å; E120-R329 VanDerWaalsContact CD-NE 3.25Å; E120-R329 VanDerWaalsContact CD-NH2 3.28Å; E120-R329 VanDerWaalsContact CG-NE 3.28Å; E120-R329 IonicContact OE1-NE 3.02Å; E120-R329 IonicContact OE1-NH2 3.27Å; E120-R329 IonicContact OE2-CZ 2.73Å; E120-R329 IonicContact OE2-NE 2.71Å; E120-R329 PolarHBondContact OE2-NE 3.41Å; E120-R329 IonicContact OE2-NH1 3.85Å; E120-R329 IonicContact OE2-NH2 2.76Å; E120-R329 PolarHBondContact OE2-NH2 3.45Å
121P88Confident94.4Very high14 Ų1419.3 Ų19.39%0.09111%0.108CC..G310 helixtrans-71.4-13.1-175.8-19.938.5000113.6W85 L88 V91 E119W85-P121 HydrophobicContact CD2-CB 4.46Å; W85-P121 HydrophobicContact CD2-CG 4.49Å; W85-P121 HydrophobicContact CE3-CB 3.98Å; W85-P121 HydrophobicContact CE3-CG 3.67Å; W85-P121 HydrophobicContact CZ3-CB 4.27Å; W85-P121 HydrophobicContact CZ3-CG 4.05Å; W85-P121 VanDerWaalsContact O-CG 3.23Å; W85-P121 WeakPolarHBondContact O-CG 3.49Å; L88-P121 HydrophobicContact CD2-CB 4.12Å; L88-P121 HydrophobicContact CD2-CG 4.15Å; V91-P121 VanDerWaalsContact CB-O 3.25Å; V91-P121 WeakPolarHBondContact CB-O 3.48Å; V91-P121 HydrophobicContact CG1-CB 4.36Å; V91-P121 VanDerWaalsContact CG1-O 3.31Å; V91-P121 WeakPolarHBondContact CG1-O 3.33Å; V91-P121 HydrophobicContact CG2-CB 4.07Å; E119-P121 VanDerWaalsContact C-N 3.29Å; E119-P121 VanDerWaalsContact O-N 3.12Å
122L91.8Very high94.4Very high0 Ų022.4 Ų22.40%012%0.116CC..G310 helixtrans-99.2-12-179.1-54.7-176.4000112.6V29 L31 W85 V91 Y93 T117 E119 E120 R124 M125 C126V29-L122 HydrophobicContact CG1-CD1 4.08Å; L31-L122 HydrophobicContact CB-CD1 4.02Å; L31-L122 HydrophobicContact CD1-CD1 3.91Å; L31-L122 HydrophobicContact CD1-CD2 3.92Å; L31-L122 HydrophobicContact CG-CD1 3.8Å; W85-L122 HydrophobicContact CH2-CD1 4.5Å; W85-L122 HydrophobicContact CH2-CD2 4.19Å; W85-L122 HydrophobicContact CH2-CG 4.39Å; V91-L122 HydrophobicContact CG1-CD2 3.8Å; Y93-L122 HydrophobicContact CD2-CD2 4.29Å; Y93-L122 HydrophobicContact CE2-CD2 3.79Å; T117-L122 HydrophobicContact CG2-CB 3.78Å; E119-L122 HydrophobicContact CB-CB 4.42Å; E119-L122 HydrophobicContact CB-CD1 3.99Å; E119-L122 HydrophobicContact CB-CG 4.03Å; E119-L122 HydrophobicContact CG-CD1 4.43Å; E119-L122 PolarHBondContact O-N 2.92Å; E120-L122 PolarHBondContact O-N 3.24Å; E120-L122 VanDerWaalsContact O-N 3.16Å; L122-R124 VanDerWaalsContact C-N 3.31Å; L122-R124 PolarHBondContact O-N 3.48Å; L122-M125 HydrophobicContact CB-CE 4.43Å; L122-M125 HydrophobicContact CD2-CE 4.11Å; L122-M125 PolarHBondContact O-N 3.09Å; L122-C126 PolarHBondContact O-N 2.91Å
123V92.9Very high94.5Very high7 Ų725.3 Ų25.34%0.04212%0.12CC..Hα-helixtrans-58.2-43.1-173.9179.80000111.4T117 E119 E120 A127 L138 V143 V147T117-V123 HydrophobicContact CG2-CG2 4.28Å; E119-V123 PolarHBondContact O-N 3.5Å; E120-V123 PolarHBondContact O-N 3.34Å; V123-A127 WeakPolarHBondContact O-CB 2.9Å; V123-A127 PolarHBondContact O-N 2.89Å; V123-L138 HydrophobicContact CG1-CD2 3.85Å; V123-V143 HydrophobicContact CG1-CG2 3.69Å; V123-V147 HydrophobicContact CB-CG1 4.37Å
124R92.6Very high94.4Very high63 Ų6326.1 Ų26.124%0.23814%0.14CC..Hα-helixtrans-66.5-46.7177.6-174.6179.6-70.4-935112.5L88 L122 C126 A127 H128 V143L88-R124 PolarHBondContact O-NE 2.93Å; L122-R124 VanDerWaalsContact C-N 3.31Å; L122-R124 PolarHBondContact O-N 3.48Å; R124-C126 VanDerWaalsContact C-N 3.33Å; R124-C126 PolarHBondContact O-N 2.93Å; R124-A127 WeakPolarHBondContact O-CB 3.14Å; R124-A127 PolarHBondContact O-N 3.31Å; R124-A127 VanDerWaalsContact O-N 3.15Å; R124-H128 PolarHBondContact O-N 3.41Å; R124-V143 HydrophobicContact CB-CG2 4.46Å; R124-V143 HydrophobicContact CG-CG1 4.26Å
125M93.9Very high94.4Very high3 Ų325.2 Ų25.22%0.01514%0.136CC..Hα-helixtrans-57.8-46.4175.6-179.9-172.775.700111.3V29 Y92 Y93 V96 L122 A127 H128 L129V29-M125 HydrophobicContact CG1-CE 4.2Å; Y92-M125 HydrophobicContact CD2-CB 4.32Å; Y92-M125 HydrophobicContact CD2-CG 3.65Å; Y92-M125 HydrophobicContact CD2-SD 4.43Å; Y92-M125 HydrophobicContact CE2-CG 3.91Å; Y92-M125 HydrophobicContact CG-CG 4.46Å; Y93-M125 HydrophobicContact CD2-CE 4.4Å; Y93-M125 HydrophobicContact CD2-SD 3.8Å; V96-M125 HydrophobicContact CB-CE 4.37Å; V96-M125 HydrophobicContact CG1-CE 3.89Å; L122-M125 HydrophobicContact CB-CE 4.43Å; L122-M125 HydrophobicContact CD2-CE 4.11Å; L122-M125 PolarHBondContact O-N 3.09Å; M125-A127 VanDerWaalsContact C-N 3.33Å; M125-A127 PolarHBondContact O-N 2.87Å; M125-H128 PolarHBondContact O-N 3.05Å; M125-L129 HydrophobicContact CG-CD1 4.13Å; M125-L129 WeakPolarHBondContact O-CG 3.38Å; M125-L129 PolarHBondContact O-N 3.48Å
126C95.9Very high94.3Very high0 Ų030.4 Ų30.40%016%0.161CC..Hα-helixtrans-65.1-36.3177.1-70.80000111.9L115 T117 L122 R124 L129 R130L115-C126 HydrophobicContact CD2-CB 4.11Å; L115-C126 HydrophobicContact CG-CB 4.2Å; T117-C126 HydrophobicContact CG2-CB 4.06Å; T117-C126 VanDerWaalsContact CG2-SG 3.59Å; L122-C126 PolarHBondContact O-N 2.91Å; R124-C126 VanDerWaalsContact C-N 3.33Å; R124-C126 PolarHBondContact O-N 2.93Å; C126-L129 PolarHBondContact O-N 2.81Å; C126-R130 WeakPolarHBondContact O-CB 3.37Å; C126-R130 WeakPolarHBondContact O-CG 3.47Å; C126-R130 PolarHBondContact O-N 3.01Å
127A95.7Very high94.1Very high0 Ų032 Ų320%018%0.178CC..Hα-helixtrans-61.5-45.3174.600000111.9V123 R124 M125 R130 T131 L138 V143V123-A127 WeakPolarHBondContact O-CB 2.9Å; V123-A127 PolarHBondContact O-N 2.89Å; R124-A127 WeakPolarHBondContact O-CB 3.14Å; R124-A127 PolarHBondContact O-N 3.31Å; R124-A127 VanDerWaalsContact O-N 3.15Å; M125-A127 VanDerWaalsContact C-N 3.33Å; M125-A127 PolarHBondContact O-N 2.87Å; A127-R130 WeakPolarHBondContact O-CB 3.41Å; A127-R130 PolarHBondContact O-N 3.38Å; A127-T131 PolarHBondContact O-N 2.99Å; A127-T131 VanDerWaalsContact O-N 3.13Å; A127-T131 PolarHBondContact O-OG1 3.17Å; A127-L138 WeakPolarHBondContact CA-O 3.29Å; A127-L138 WeakPolarHBondContact CB-O 3.37Å; A127-V143 HydrophobicContact CB-CB 3.73Å; A127-V143 HydrophobicContact CB-CG1 3.94Å; A127-V143 HydrophobicContact CB-CG2 3.97Å
128H95.4Very high94.1Very high52 Ų5232.4 Ų32.424%0.24118%0.18CC..Hα-helixtrans-59.7-49.2174.8-179.366.2000112.3Y92 R124 M125 R130 T131 L132 E140Y92-H128 AromaticContact CE2-CD2 3.8Å; R124-H128 PolarHBondContact O-N 3.41Å; M125-H128 PolarHBondContact O-N 3.05Å; H128-R130 VanDerWaalsContact C-N 3.27Å; H128-R130 PolarHBondContact O-N 2.7Å; H128-T131 PolarHBondContact O-N 2.9Å; H128-L132 VanDerWaalsContact NE2-CD1 3.33Å; H128-L132 WeakPolarHBondContact NE2-CD1 3.35Å; H128-L132 WeakPolarHBondContact O-CG 3.29Å; H128-L132 PolarHBondContact O-N 2.81Å; H128-E140 IonicContact CE1-OE2 2.86Å; H128-E140 IonicContact CG-OE2 3.45Å; H128-E140 IonicContact ND1-OE1 2.8Å; H128-E140 PolarHBondContact ND1-OE1 2.9Å; H128-E140 IonicContact ND1-OE2 2.8Å; H128-E140 PolarHBondContact ND1-OE2 2.81Å
129L97Very high94.2Very high1 Ų134.6 Ų34.61%0.00519%0.19CC..Hα-helixtrans-63.6-31.6177.9-68.3175000112.7V96 A97 V100 L115 M125 C126 W133V96-L129 HydrophobicContact CG1-CD1 4.27Å; A97-L129 HydrophobicContact CB-CD2 3.8Å; V100-L129 HydrophobicContact CG2-CD1 4.26Å; L115-L129 HydrophobicContact CD2-CB 3.5Å; L115-L129 HydrophobicContact CD2-CD1 4.25Å; M125-L129 HydrophobicContact CG-CD1 4.13Å; M125-L129 WeakPolarHBondContact O-CG 3.38Å; M125-L129 PolarHBondContact O-N 3.48Å; C126-L129 PolarHBondContact O-N 2.81Å; L129-W133 PolarHBondContact O-N 2.8Å; L129-W133 VanDerWaalsContact O-N 3.11Å
130R97.5Very high94.3Very high20 Ų2038 Ų388%0.07521%0.206CC..Hα-helixtrans-63.4-47.2173.7-73.7169.9-165.7116.85.3111.3L115 C126 A127 H128 W133 G134 F135 M136 L138L115-R130 HydrophobicContact CB-CG 3.95Å; L115-R130 HydrophobicContact CD2-CG 4.26Å; L115-R130 VanDerWaalsContact O-CZ 3.23Å; L115-R130 PolarHBondContact O-NE 2.87Å; L115-R130 PolarHBondContact O-NH2 3.01Å; C126-R130 WeakPolarHBondContact O-CB 3.37Å; C126-R130 WeakPolarHBondContact O-CG 3.47Å; C126-R130 PolarHBondContact O-N 3.01Å; A127-R130 WeakPolarHBondContact O-CB 3.41Å; A127-R130 PolarHBondContact O-N 3.38Å; H128-R130 VanDerWaalsContact C-N 3.27Å; H128-R130 PolarHBondContact O-N 2.7Å; R130-W133 PolarHBondContact O-N 2.85Å; R130-G134 WeakPolarHBondContact O-CA 3.36Å; R130-G134 PolarHBondContact O-N 3.2Å; R130-F135 HydrophobicContact CB-CB 3.89Å; R130-F135 HydrophobicContact CG-CB 3.63Å; R130-F135 PolarHBondContact O-N 3.41Å; R130-M136 VanDerWaalsContact CD-O 3.31Å; R130-M136 WeakPolarHBondContact CD-O 3.41Å; R130-L138 VanDerWaalsContact CD-O 3.29Å; R130-L138 WeakPolarHBondContact CD-O 3.45Å; R130-L138 PolarHBondContact NH1-O 2.97Å
131T96.6Very high94.4Very high70 Ų7042.8 Ų42.843%0.42923%0.233SC..Hα-helixtrans-62.3-42.5178.3-59.50000111.5A127 H128 Q139A127-T131 PolarHBondContact O-N 2.99Å; A127-T131 VanDerWaalsContact O-N 3.13Å; A127-T131 PolarHBondContact O-OG1 3.17Å; H128-T131 PolarHBondContact O-N 2.9Å; T131-Q139 PolarHBondContact OG1-OE1 2.87Å
132L96.6Very high94.7Very high98 Ų9844.6 Ų44.651%0.51324%0.238SC..Hα-helixtrans-64.7-39.7178.6-71.5-177.4000114H128H128-L132 VanDerWaalsContact NE2-CD1 3.33Å; H128-L132 WeakPolarHBondContact NE2-CD1 3.35Å; H128-L132 WeakPolarHBondContact O-CG 3.29Å; H128-L132 PolarHBondContact O-N 2.81Å
133W96.9Very high94.8Very high82 Ų8244.6 Ų44.631%0.31124%0.238SC..Hα-helixtrans-112.78.8-168.1-64.3109.3000114.8V100 E101 C104 K113 L129 R130 F135V100-W133 HydrophobicContact CG1-CG 4.45Å; E101-W133 HydrophobicContact CB-CH2 3.91Å; E101-W133 HydrophobicContact CB-CZ2 3.44Å; E101-W133 VanDerWaalsContact CB-CZ2 3.44Å; E101-W133 HydrophobicContact CG-CH2 3.39Å; E101-W133 HydrophobicContact CG-CZ2 3.44Å; E101-W133 VanDerWaalsContact CG-CZ2 3.44Å; E101-W133 HydrophobicContact CG-CZ3 4.18Å; E101-W133 WeakPolarHBondContact OE1-CH2 3.24Å; C104-W133 HydrophobicContact CB-CE3 4.3Å; K113-W133 PolarHBondContact NZ-O 3.31Å; L129-W133 PolarHBondContact O-N 2.8Å; L129-W133 VanDerWaalsContact O-N 3.11Å; R130-W133 PolarHBondContact O-N 2.85Å; W133-F135 HydrophobicContact CB-CD2 3.7Å; W133-F135 HydrophobicContact CB-CE2 3.58Å; W133-F135 HydrophobicContact CG-CE2 4.46Å
134G95.7Very high94.8Very high56 Ų5645 Ų4558%0.57724%0.243SC*.THydrogen-bonded Turntrans68.636.7176.700000113.4R130R130-G134 WeakPolarHBondContact O-CA 3.36Å; R130-G134 PolarHBondContact O-N 3.2Å
135F97Very high94.8Very high4 Ų443 Ų432%0.01824%0.237CC..  trans-83.7147.3170.7-68-100.1000111L25 V27 V100 C104 K113 L115 R130 W133 Q139L25-F135 HydrophobicContact CD2-CE1 3.82Å; L25-F135 HydrophobicContact CD2-CZ 3.88Å; L25-F135 HydrophobicContact CG-CE1 4.24Å; V27-F135 HydrophobicContact CB-CE1 4.48Å; V27-F135 HydrophobicContact CG2-CE1 4.1Å; V27-F135 HydrophobicContact CG2-CZ 4.11Å; V100-F135 HydrophobicContact CG1-CE2 3.63Å; V100-F135 HydrophobicContact CG1-CZ 3.94Å; C104-F135 WeakPolarHBondContact SG-CE2 3.5Å; C104-F135 WeakPolarHBondContact SG-CZ 3.47Å; K113-F135 VanDerWaalsContact C-CD1 3.5Å; K113-F135 HydrophobicContact CB-CB 4.38Å; K113-F135 HydrophobicContact CB-CD1 3.29Å; K113-F135 HydrophobicContact CB-CE1 3.65Å; K113-F135 HydrophobicContact CB-CG 3.87Å; K113-F135 HydrophobicContact CB-CZ 4.46Å; K113-F135 WeakPolarHBondContact O-CA 3.08Å; L115-F135 HydrophobicContact CB-CB 4.16Å; L115-F135 HydrophobicContact CB-CD1 3.63Å; L115-F135 HydrophobicContact CB-CD2 4.3Å; L115-F135 HydrophobicContact CB-CE1 4Å; L115-F135 HydrophobicContact CB-CG 3.81Å; L115-F135 HydrophobicContact CB-CZ 4.49Å; R130-F135 HydrophobicContact CB-CB 3.89Å; R130-F135 HydrophobicContact CG-CB 3.63Å; R130-F135 PolarHBondContact O-N 3.41Å; W133-F135 HydrophobicContact CB-CD2 3.7Å; W133-F135 HydrophobicContact CB-CE2 3.58Å; W133-F135 HydrophobicContact CG-CE2 4.46Å; F135-Q139 PolarHBondContact O-NE2 2.89Å
136M93.8Very high94.8Very high110 Ų11043.6 Ų43.654%0.54224%0.24SC..BIsolated β-bridgetrans-73.3167.3171.5-62.6179.371.200111.7K113 R130K113-M136 PolarHBondContact O-N 3.4Å; R130-M136 VanDerWaalsContact CD-O 3.31Å; R130-M136 WeakPolarHBondContact CD-O 3.41Å
137G92.8Very high94.4Very high36 Ų3644 Ų4437%0.37124%0.242SC..SBendtrans105.7-158177.400000113.6Q139G137-Q139 PolarHBondContact O-N 3.29Å; G137-Q139 PolarHBondContact O-NE2 3.22Å
138L93.9Very high94.1Very high12 Ų1245.3 Ų45.36%0.06325%0.249CC..SBendtrans-65.1112.2-176.1-177.458.3000112.1V123 A127 R130 R142 V143 F146 P304 C328V123-L138 HydrophobicContact CG1-CD2 3.85Å; A127-L138 WeakPolarHBondContact CA-O 3.29Å; A127-L138 WeakPolarHBondContact CB-O 3.37Å; R130-L138 VanDerWaalsContact CD-O 3.29Å; R130-L138 WeakPolarHBondContact CD-O 3.45Å; R130-L138 PolarHBondContact NH1-O 2.97Å; L138-R142 HydrophobicContact CD1-CB 3.95Å; L138-V143 HydrophobicContact CD2-CB 4.16Å; L138-V143 HydrophobicContact CD2-CG2 3.87Å; L138-V143 HydrophobicContact CG-CB 4.16Å; L138-V143 HydrophobicContact CG-CG2 4.35Å; L138-F146 HydrophobicContact CD1-CD2 4.01Å; L138-F146 HydrophobicContact CD1-CE2 3.59Å; L138-F146 HydrophobicContact CD1-CZ 4.49Å; L138-F146 HydrophobicContact CD2-CD2 3.82Å; L138-F146 HydrophobicContact CD2-CE2 4.04Å; L138-F146 HydrophobicContact CD2-CG 4.43Å; L138-F146 HydrophobicContact CG-CE2 4.5Å; L138-P304 HydrophobicContact CB-CB 4.49Å; L138-P304 HydrophobicContact CB-CG 3.7Å; L138-P304 HydrophobicContact CD1-CG 4.14Å; L138-P304 HydrophobicContact CD2-CG 4.49Å; L138-P304 HydrophobicContact CG-CG 4.33Å; L138-C328 WeakPolarHBondContact CD2-SG 3.48Å
139Q94.6Very high93.8Very high54 Ų5444.8 Ų44.825%0.25225%0.246SC..  trans-84.8164-179-59.1-55.7-44.100112.8T131 F135 G137 D141 R142 V143T131-Q139 PolarHBondContact OG1-OE1 2.87Å; F135-Q139 PolarHBondContact O-NE2 2.89Å; G137-Q139 PolarHBondContact O-N 3.29Å; G137-Q139 PolarHBondContact O-NE2 3.22Å; Q139-D141 VanDerWaalsContact C-N 3.34Å; Q139-D141 WeakPolarHBondContact CB-OD1 3.33Å; Q139-D141 PolarHBondContact O-N 2.88Å; Q139-R142 PolarHBondContact O-N 3.16Å; Q139-V143 PolarHBondContact O-N 2.93Å
140E91.9Very high93.5Very high82 Ų8247.3 Ų47.338%0.38326%0.259SS..Hα-helixtrans-64.5-32.9-174.5-174.2166.7-169.700113.9H128 R142 V143H128-E140 IonicContact CE1-OE2 2.86Å; H128-E140 IonicContact CG-OE2 3.45Å; H128-E140 IonicContact ND1-OE1 2.8Å; H128-E140 PolarHBondContact ND1-OE1 2.9Å; H128-E140 IonicContact ND1-OE2 2.8Å; H128-E140 PolarHBondContact ND1-OE2 2.81Å; E140-R142 PolarHBondContact O-N 3.15Å; E140-V143 WeakPolarHBondContact O-CG1 3.31Å
141D92.7Very high93.3Very high135 Ų13547.9 Ų47.972%0.72227%0.268SS*.Hα-helixtrans-66-25.4176.366.9-32.6000113Q139Q139-D141 VanDerWaalsContact C-N 3.34Å; Q139-D141 WeakPolarHBondContact CB-OD1 3.33Å; Q139-D141 PolarHBondContact O-N 2.88Å
142R94Very high93.2Very high52 Ų5245 Ų4520%0.19625%0.25CS..Hα-helixtrans-109.7-16.4-177.6-59.7-162.270.2-146.8-2.5114.9L138 Q139 E140 G144 L145 W300 S301 P302L138-R142 HydrophobicContact CD1-CB 3.95Å; Q139-R142 PolarHBondContact O-N 3.16Å; E140-R142 PolarHBondContact O-N 3.15Å; R142-G144 PolarHBondContact O-N 3.47Å; R142-G144 VanDerWaalsContact O-N 3.13Å; R142-L145 WeakPolarHBondContact O-CB 3.25Å; R142-L145 WeakPolarHBondContact O-CG 3.49Å; R142-L145 PolarHBondContact O-N 3.43Å; R142-W300 PolarHBondContact NH1-O 3.37Å; R142-W300 PolarHBondContact NH2-O 3.13Å; R142-S301 PolarHBondContact NH2-O 3.23Å; R142-P302 PolarHBondContact NH1-O 2.93Å
143V93.7Very high93.1Very high0 Ų040.8 Ų40.80%023%0.228CC..Hα-helixtrans-58.6-31-178.1720000112.8V123 R124 A127 L138 Q139 E140 L145 F146 V147V123-V143 HydrophobicContact CG1-CG2 3.69Å; R124-V143 HydrophobicContact CB-CG2 4.46Å; R124-V143 HydrophobicContact CG-CG1 4.26Å; A127-V143 HydrophobicContact CB-CB 3.73Å; A127-V143 HydrophobicContact CB-CG1 3.94Å; A127-V143 HydrophobicContact CB-CG2 3.97Å; L138-V143 HydrophobicContact CD2-CB 4.16Å; L138-V143 HydrophobicContact CD2-CG2 3.87Å; L138-V143 HydrophobicContact CG-CB 4.16Å; L138-V143 HydrophobicContact CG-CG2 4.35Å; Q139-V143 PolarHBondContact O-N 2.93Å; E140-V143 WeakPolarHBondContact O-CG1 3.31Å; V143-L145 PolarHBondContact O-N 2.88Å; V143-L145 VanDerWaalsContact O-N 3.14Å; V143-F146 PolarHBondContact O-N 3.43Å; V143-V147 HydrophobicContact CG2-CG2 4.25Å; V143-V147 WeakPolarHBondContact O-CG2 3.11Å; V143-V147 PolarHBondContact O-N 3.18Å
144G91.8Very high93Very high14 Ų1443.1 Ų43.114%0.14424%0.242CC..Hα-helixtrans-53.1-33.1175.500000113.4R142 F146 V147 D148R142-G144 PolarHBondContact O-N 3.47Å; R142-G144 VanDerWaalsContact O-N 3.13Å; G144-F146 PolarHBondContact O-N 3.13Å; G144-V147 PolarHBondContact O-N 3.25Å; G144-D148 WeakPolarHBondContact O-CA 3.29Å; G144-D148 WeakPolarHBondContact O-CB 3.38Å; G144-D148 PolarHBondContact O-N 3.32Å
145L93.9Very high93Very high23 Ų2342.2 Ų42.212%0.1222%0.223CC..Hα-helixtrans-63.3-16179.3-57.9-177.6000114R142 V143 H155R142-L145 WeakPolarHBondContact O-CB 3.25Å; R142-L145 WeakPolarHBondContact O-CG 3.49Å; R142-L145 PolarHBondContact O-N 3.43Å; V143-L145 PolarHBondContact O-N 2.88Å; V143-L145 VanDerWaalsContact O-N 3.14Å; L145-H155 HydrophobicContact CD2-CB 3.59Å
146F92.4Very high93.1Very high15 Ų1542 Ų427%0.06622%0.222CC..Hα-helixtrans-112.9-25.2-176.4-60.3-91.5000113.7L138 V143 G144 W300 F308 V326 C328L138-F146 HydrophobicContact CD1-CD2 4.01Å; L138-F146 HydrophobicContact CD1-CE2 3.59Å; L138-F146 HydrophobicContact CD1-CZ 4.49Å; L138-F146 HydrophobicContact CD2-CD2 3.82Å; L138-F146 HydrophobicContact CD2-CE2 4.04Å; L138-F146 HydrophobicContact CD2-CG 4.43Å; L138-F146 HydrophobicContact CG-CE2 4.5Å; V143-F146 PolarHBondContact O-N 3.43Å; G144-F146 PolarHBondContact O-N 3.13Å; F146-W300 AromaticContact CE1-CD1 3.7Å; F146-W300 AromaticContact CE2-CD1 3.99Å; F146-W300 AromaticContact CZ-CD1 3.46Å; F146-W300 VanDerWaalsContact CZ-CD1 3.46Å; F146-F308 HydrophobicContact CE1-CD2 4.09Å; F146-F308 AromaticContact CE1-CE2 3.77Å; F146-F308 HydrophobicContact CE1-CE2 3.77Å; F146-V326 HydrophobicContact CD1-CG1 4.06Å; F146-V326 HydrophobicContact CE1-CG1 4.08Å; F146-C328 HydrophobicContact CD1-CB 3.73Å; F146-C328 WeakPolarHBondContact CD1-SG 3.18Å; F146-C328 HydrophobicContact CE1-CB 3.6Å; F146-C328 HydrophobicContact CG-CB 4.45Å; F146-C328 VanDerWaalsContact CG-SG 3.57Å; F146-C328 HydrophobicContact CZ-CB 4.27Å
147V89.2Confident93.2Very high9 Ų941.3 Ų41.36%0.05523%0.228CC..Hα-helixtrans-119.9-10.6-174.1-58.50000113.6L88 V123 V143 G144L88-V147 HydrophobicContact CB-CB 4.3Å; L88-V147 HydrophobicContact CD1-CB 3.84Å; L88-V147 HydrophobicContact CD1-CG1 4.19Å; V123-V147 HydrophobicContact CB-CG1 4.37Å; V143-V147 HydrophobicContact CG2-CG2 4.25Å; V143-V147 WeakPolarHBondContact O-CG2 3.11Å; V143-V147 PolarHBondContact O-N 3.18Å; G144-V147 PolarHBondContact O-N 3.25Å
148D89.1Confident93.4Very high27 Ų2744.5 Ų44.514%0.14424%0.24CC..  trans-116.5110.6175.9-171-21.1000109.9G144 L150 A151 M152 Q199 H200G144-D148 WeakPolarHBondContact O-CA 3.29Å; G144-D148 WeakPolarHBondContact O-CB 3.38Å; G144-D148 PolarHBondContact O-N 3.32Å; D148-L150 PolarHBondContact O-N 2.8Å; D148-L150 WeakPolarHBondContact OD1-CB 3.11Å; D148-L150 PolarHBondContact OD1-N 3.45Å; D148-A151 HydrophobicContact CB-CB 3.96Å; D148-A151 PolarHBondContact O-N 3.27Å; D148-M152 WeakPolarHBondContact O-CB 3.23Å; D148-M152 PolarHBondContact O-N 2.97Å; D148-Q199 PolarHBondContact OD1-NE2 3.44Å; D148-Q199 PolarHBondContact OD2-NE2 2.55Å; D148-H200 IonicContact OD2-CE1 3.33Å
149K89.7Confident93.6Very high40 Ų4046.6 Ų46.617%0.17425%0.253CS..Hα-helixtrans-60.3-31.6-179.3-60.2-176.3-168.869.40111.8N153 K197 P198 Q199 G201 L231K149-N153 VanDerWaalsContact O-CB 3.22Å; K149-N153 WeakPolarHBondContact O-CB 3.49Å; K149-N153 PolarHBondContact O-N 2.99Å; K149-N153 PolarHBondContact O-ND2 3.32Å; K149-K197 HydrophobicContact CD-CD 4.02Å; K149-K197 VanDerWaalsContact CD-CE 3.5Å; K149-P198 PolarHBondContact NZ-O 3.33Å; K149-Q199 PolarHBondContact NZ-O 2.88Å; K149-G201 PolarHBondContact NZ-O 2.94Å; K149-L231 HydrophobicContact CB-CD1 4.45Å; K149-L231 HydrophobicContact CB-CD2 3.77Å
150L89.9Confident93.7Very high55 Ų5546.5 Ų46.529%0.28827%0.266SS..Hα-helixtrans-70.8-45.7178-179.456.2000111.2D148 N153 H154 L168 Q199D148-L150 PolarHBondContact O-N 2.8Å; D148-L150 WeakPolarHBondContact OD1-CB 3.11Å; D148-L150 PolarHBondContact OD1-N 3.45Å; L150-N153 PolarHBondContact O-N 2.77Å; L150-H154 WeakPolarHBondContact O-CB 3.31Å; L150-H154 PolarHBondContact O-N 3.35Å; L150-L168 HydrophobicContact CD1-CD1 3.59Å; L150-L168 HydrophobicContact CD1-CD2 4.06Å; L150-L168 HydrophobicContact CD1-CG 4.36Å; L150-L168 HydrophobicContact CD2-CD1 3.72Å; L150-L168 HydrophobicContact CG-CD1 4.29Å; L150-Q199 HydrophobicContact CB-CG 4.47Å
151A92.5Very high94Very high32 Ų3243 Ų4326%0.26425%0.25SS..Hα-helixtrans-62.5-43.9176.800000111.4D148 N153 H154 H155D148-A151 HydrophobicContact CB-CB 3.96Å; D148-A151 PolarHBondContact O-N 3.27Å; A151-N153 VanDerWaalsContact C-N 3.33Å; A151-N153 PolarHBondContact O-N 3.01Å; A151-H154 PolarHBondContact O-N 2.89Å; A151-H155 WeakPolarHBondContact O-CB 3.49Å; A151-H155 PolarHBondContact O-N 3.12Å
152M94.7Very high94.2Very high10 Ų1041.2 Ų41.25%0.04924%0.236CC..Hα-helixtrans-55.5-48.3173.1-174.1-157.576.900111.3D148 H155 C156 T163 W300 I324 V326D148-M152 WeakPolarHBondContact O-CB 3.23Å; D148-M152 PolarHBondContact O-N 2.97Å; M152-H155 PolarHBondContact O-N 2.98Å; M152-C156 WeakPolarHBondContact O-CB 3.2Å; M152-C156 PolarHBondContact O-N 2.85Å; M152-C156 PolarHBondContact O-SG 3.07Å; M152-T163 HydrophobicContact CE-CG2 4.35Å; M152-W300 HydrophobicContact CG-CH2 4.16Å; M152-W300 HydrophobicContact CG-CZ2 3.79Å; M152-I324 WeakPolarHBondContact CE-O 3.44Å; M152-V326 HydrophobicContact SD-CG2 4.32Å
153N93.9Very high94.3Very high8 Ų839.8 Ų39.84%0.04323%0.233CC..Hα-helixtrans-66.5-40.9-179.5-78-42.5000113.2K149 L150 A151 H155 C156 S157 T163 K166K149-N153 VanDerWaalsContact O-CB 3.22Å; K149-N153 WeakPolarHBondContact O-CB 3.49Å; K149-N153 PolarHBondContact O-N 2.99Å; K149-N153 PolarHBondContact O-ND2 3.32Å; L150-N153 PolarHBondContact O-N 2.77Å; A151-N153 VanDerWaalsContact C-N 3.33Å; A151-N153 PolarHBondContact O-N 3.01Å; N153-H155 VanDerWaalsContact C-N 3.35Å; N153-C156 WeakPolarHBondContact O-CB 3.15Å; N153-C156 PolarHBondContact O-N 3.22Å; N153-S157 PolarHBondContact O-N 3.45Å; N153-T163 WeakPolarHBondContact OD1-CB 3.3Å; N153-T163 VanDerWaalsContact OD1-CG2 3.29Å; N153-T163 WeakPolarHBondContact OD1-CG2 3.38Å; N153-T163 PolarHBondContact OD1-OG1 2.83Å; N153-K166 HydrophobicContact CB-CD 4.46Å; N153-K166 WeakPolarHBondContact ND2-CD 3.47Å; N153-K166 WeakPolarHBondContact ND2-CE 3.49Å; N153-K166 PolarHBondContact ND2-NZ 3.49Å; N153-K166 PolarHBondContact OD1-NZ 2.84Å
154H94.9Very high94.3Very high131 Ų13140.3 Ų40.361%0.60624%0.237SC*.Hα-helixtrans-61.6-46.9175.1177.765.8000110.5L150 A151 C156 S157 V158L150-H154 WeakPolarHBondContact O-CB 3.31Å; L150-H154 PolarHBondContact O-N 3.35Å; A151-H154 PolarHBondContact O-N 2.89Å; H154-C156 VanDerWaalsContact C-N 3.34Å; H154-C156 PolarHBondContact O-N 3.01Å; H154-S157 WeakPolarHBondContact O-CB 3.39Å; H154-S157 PolarHBondContact O-N 2.86Å; H154-S157 VanDerWaalsContact O-N 3.12Å; H154-V158 WeakPolarHBondContact O-CG2 3.25Å; H154-V158 PolarHBondContact O-N 2.86Å; H154-V158 VanDerWaalsContact O-N 3.1Å
155H97Very high94.5Very high37 Ų3743.1 Ų43.117%0.17125%0.252CS..Hα-helixtrans-58.2-45.7175.2-174.162.5000112L145 A151 M152 N153 S157 V158 V159 A299 W300L145-H155 HydrophobicContact CD2-CB 3.59Å; A151-H155 WeakPolarHBondContact O-CB 3.49Å; A151-H155 PolarHBondContact O-N 3.12Å; M152-H155 PolarHBondContact O-N 2.98Å; N153-H155 VanDerWaalsContact C-N 3.35Å; H155-S157 VanDerWaalsContact C-N 3.29Å; H155-S157 PolarHBondContact O-N 2.98Å; H155-V158 PolarHBondContact O-N 2.84Å; H155-V159 VanDerWaalsContact O-CG2 3.27Å; H155-V159 WeakPolarHBondContact O-CG2 3.17Å; H155-V159 PolarHBondContact O-N 2.96Å; H155-A299 PolarHBondContact CE1-O 3.49Å; H155-A299 PolarHBondContact NE2-O 3.33Å; H155-W300 AromaticContact CD2-CE3 3.82Å; H155-W300 AromaticContact CD2-CH2 3.62Å; H155-W300 AromaticContact CD2-CZ2 3.85Å; H155-W300 AromaticContact CD2-CZ3 3.59Å; H155-W300 AromaticContact NE2-CE3 3.96Å
156C97.8Very high94.5Very high0 Ų044.5 Ų44.50%026%0.257CS..Hα-helixtrans-54.8-43.3174.3-71.30000112.6M152 N153 H154 V158 V159 G160 L161 T163M152-C156 WeakPolarHBondContact O-CB 3.2Å; M152-C156 PolarHBondContact O-N 2.85Å; M152-C156 PolarHBondContact O-SG 3.07Å; N153-C156 WeakPolarHBondContact O-CB 3.15Å; N153-C156 PolarHBondContact O-N 3.22Å; H154-C156 VanDerWaalsContact C-N 3.34Å; H154-C156 PolarHBondContact O-N 3.01Å; C156-V158 VanDerWaalsContact C-N 3.32Å; C156-V158 PolarHBondContact O-N 3.44Å; C156-V159 PolarHBondContact O-N 3.49Å; C156-G160 PolarHBondContact O-N 3.44Å; C156-L161 CarbonylContact C-O 3.46Å; C156-L161 HydrophobicContact CB-CB 4.1Å; C156-L161 WeakPolarHBondContact CB-O 3.44Å; C156-L161 PolarHBondContact O-N 2.86Å; C156-T163 HydrophobicContact CB-CG2 3.55Å; C156-T163 WeakPolarHBondContact SG-CG2 3.42Å
157S96.6Very high94.7Very high95 Ų9545.2 Ų45.266%0.66426%0.261SS*.Hα-helixtrans-63.2-37.6177-173.40000112.5N153 H154 H155N153-S157 PolarHBondContact O-N 3.45Å; H154-S157 WeakPolarHBondContact O-CB 3.39Å; H154-S157 PolarHBondContact O-N 2.86Å; H154-S157 VanDerWaalsContact O-N 3.12Å; H155-S157 VanDerWaalsContact C-N 3.29Å; H155-S157 PolarHBondContact O-N 2.98Å
158V97.4Very high95Very high104 Ų10446.7 Ų46.763%0.6327%0.268SS*.Hα-helixtrans-69.8-40179172.40000111.2H154 H155 C156H154-V158 WeakPolarHBondContact O-CG2 3.25Å; H154-V158 PolarHBondContact O-N 2.86Å; H154-V158 VanDerWaalsContact O-N 3.1Å; H155-V158 PolarHBondContact O-N 2.84Å; C156-V158 VanDerWaalsContact C-N 3.32Å; C156-V158 PolarHBondContact O-N 3.44Å
159V97.3Very high95.3Very high55 Ų5545.4 Ų45.433%0.33326%0.262SS..Hα-helixtrans-944-175.6-54.50000114.2H155 C156 L161 A299H155-V159 VanDerWaalsContact O-CG2 3.27Å; H155-V159 WeakPolarHBondContact O-CG2 3.17Å; H155-V159 PolarHBondContact O-N 2.96Å; C156-V159 PolarHBondContact O-N 3.49Å; V159-L161 HydrophobicContact CG2-CB 4.23Å; V159-L161 HydrophobicContact CG2-CD1 3.76Å; V159-L161 HydrophobicContact CG2-CG 3.94Å; V159-A299 HydrophobicContact CB-CB 4.07Å; V159-A299 HydrophobicContact CG1-CB 4.33Å; V159-A299 HydrophobicContact CG2-CB 3.76Å
160G97Very high95.5Very high52 Ų5244.9 Ų44.954%0.53626%0.262SS..THydrogen-bonded Turntrans71.432.6177.600000114.7C156 R295C156-G160 PolarHBondContact O-N 3.44Å; G160-R295 PolarHBondContact O-NH2 3.5Å
161L97.9Very high95.7Very high10 Ų1049.4 Ų49.45%0.05228%0.279CS..  trans-99.3132.1170.6-71.5168.9000110.3C156 V159 F292 R295 V296 A299 W300C156-L161 CarbonylContact C-O 3.46Å; C156-L161 HydrophobicContact CB-CB 4.1Å; C156-L161 WeakPolarHBondContact CB-O 3.44Å; C156-L161 PolarHBondContact O-N 2.86Å; V159-L161 HydrophobicContact CG2-CB 4.23Å; V159-L161 HydrophobicContact CG2-CD1 3.76Å; V159-L161 HydrophobicContact CG2-CG 3.94Å; L161-F292 HydrophobicContact CD2-CE2 3.87Å; L161-F292 HydrophobicContact CD2-CZ 4.31Å; L161-R295 HydrophobicContact CD2-CB 4.39Å; L161-V296 HydrophobicContact CD1-CG2 4.12Å; L161-V296 HydrophobicContact CD2-CG2 4.36Å; L161-A299 HydrophobicContact CD1-CB 3.77Å; L161-W300 HydrophobicContact CD1-CE3 4.48Å; L161-W300 HydrophobicContact CD1-CZ3 3.75Å
162K96.9Very high95.8Very high96 Ų9653.7 Ų53.742%0.41729%0.291SS..  trans-75.8135.9-179.4-169.4168.1-177.5175.20111.2E320 V322 L323K162-E320 VanDerWaalsContact CD-CD 3.46Å; K162-E320 HydrophobicContact CD-CG 4.21Å; K162-E320 WeakPolarHBondContact CD-OE1 3.28Å; K162-E320 WeakPolarHBondContact CE-OE1 3.43Å; K162-E320 IonicContact NZ-OE1 3.3Å; K162-E320 PolarHBondContact NZ-OE1 3.49Å; K162-E320 IonicContact NZ-OE2 2.65Å; K162-E320 PolarHBondContact NZ-OE2 3.32Å; K162-V322 HydrophobicContact CD-CG2 3.99Å; K162-V322 HydrophobicContact CG-CG1 4.36Å; K162-V322 HydrophobicContact CG-CG2 4.16Å; K162-L323 PolarHBondContact O-N 2.96Å
163T96.6Very high95.7Very high23 Ų2354.5 Ų54.514%0.14130%0.295CS..BIsolated β-bridgetrans-129.9172.117057.50000108.7M152 N153 C156 K166 L323M152-T163 HydrophobicContact CE-CG2 4.35Å; N153-T163 WeakPolarHBondContact OD1-CB 3.3Å; N153-T163 VanDerWaalsContact OD1-CG2 3.29Å; N153-T163 WeakPolarHBondContact OD1-CG2 3.38Å; N153-T163 PolarHBondContact OD1-OG1 2.83Å; C156-T163 HydrophobicContact CB-CG2 3.55Å; C156-T163 WeakPolarHBondContact SG-CG2 3.42Å; T163-K166 PolarHBondContact OG1-NZ 3.24Å; T163-L323 HydrophobicContact CG2-CB 4.37Å
164A94.5Very high95.7Very high10 Ų1055.9 Ų55.98%0.08330%0.301CS..  trans-58140.3175.900000112.2K166 E233 I236A164-K166 PolarHBondContact O-NZ 2.73Å; A164-E233 HydrophobicContact CB-CB 4.04Å; A164-E233 HydrophobicContact CB-CG 4.43Å; A164-I236 HydrophobicContact CB-CD1 4.02Å; A164-I236 HydrophobicContact CB-CG1 3.97Å
165T94.6Very high95.7Very high74 Ų7454.6 Ų54.645%0.45430%0.302SS..  trans-58.5135.5162-38.50000108.5L190 E233 E234T165-L190 HydrophobicContact CG2-CD2 3.69Å; T165-E233 WeakPolarHBondContact O-CA 3.42Å; T165-E234 WeakPolarHBondContact CB-OE2 3.27Å; T165-E234 PolarHBondContact O-N 3.47Å; T165-E234 PolarHBondContact OG1-OE2 3.24Å
166K95.3Very high95.7Very high51 Ų5158.4 Ų58.422%0.22232%0.32CS..EExtended strand (participates in β ladder)trans-157.9160.4-168.462.9-176.8151.8-92.30113.6N153 T163 A164 L231 I232 E233N153-K166 HydrophobicContact CB-CD 4.46Å; N153-K166 WeakPolarHBondContact ND2-CD 3.47Å; N153-K166 WeakPolarHBondContact ND2-CE 3.49Å; N153-K166 PolarHBondContact ND2-NZ 3.49Å; N153-K166 PolarHBondContact OD1-NZ 2.84Å; T163-K166 PolarHBondContact OG1-NZ 3.24Å; A164-K166 PolarHBondContact O-NZ 2.73Å; K166-L231 HydrophobicContact CD-CD2 4.32Å; K166-I232 CarbonylContact C-O 3.39Å; K166-I232 WeakPolarHBondContact CA-O 3.41Å; K166-I232 WeakPolarHBondContact CB-O 3.21Å; K166-E233 HydrophobicContact CB-CB 4.37Å; K166-E233 HydrophobicContact CB-CG 3.8Å
167M96.5Very high95.6Very high31 Ų3162.1 Ų62.115%0.15333%0.334CS..EExtended strand (participates in β ladder)trans-129.8158.5165.9-67.2-178.569.300110.1Y182 D185 I186 H189 L190 I232M167-Y182 HydrophobicContact CE-CE2 3.94Å; M167-D185 HydrophobicContact CE-CB 3.91Å; M167-I186 HydrophobicContact CE-CG1 4.14Å; M167-I186 HydrophobicContact SD-CB 4.28Å; M167-I186 HydrophobicContact SD-CG1 3.74Å; M167-H189 HydrophobicContact SD-CB 3.9Å; M167-L190 HydrophobicContact CB-CD1 4.14Å; M167-L190 HydrophobicContact CG-CD1 3.98Å; M167-L190 HydrophobicContact CG-CD2 4.41Å; M167-L190 HydrophobicContact CG-CG 4.17Å; M167-L190 HydrophobicContact SD-CD1 4.3Å; M167-L190 HydrophobicContact SD-CG 4.24Å; M167-I232 PolarHBondContact N-O 3.14Å; M167-I232 PolarHBondContact O-N 3.01Å
168L95.5Very high95.5Very high40 Ų4060.6 Ų60.621%0.20932%0.321CS..EExtended strand (participates in β ladder)trans-112.5129.5-177.7-57.4175.3000110.8L150 T170 E173 Y182 L231L150-L168 HydrophobicContact CD1-CD1 3.59Å; L150-L168 HydrophobicContact CD1-CD2 4.06Å; L150-L168 HydrophobicContact CD1-CG 4.36Å; L150-L168 HydrophobicContact CD2-CD1 3.72Å; L150-L168 HydrophobicContact CG-CD1 4.29Å; L168-T170 HydrophobicContact CB-CG2 3.95Å; L168-E173 WeakPolarHBondContact O-CG 3.47Å; L168-Y182 PolarHBondContact O-OH 3.23Å; L168-L231 HydrophobicContact CD2-CD1 4.37Å; L168-L231 HydrophobicContact CD2-CG 3.79Å
169L95.8Very high95.5Very high0 Ų056.9 Ų56.90%030%0.299CS..EExtended strand (participates in β ladder)trans-9993.7168.4178.764.9000108K174 Y182 W219 L220 Q223 W224 P229 Y230 I232L169-K174 HydrophobicContact CD1-CD 4.36Å; L169-K174 VanDerWaalsContact CD1-CE 3.49Å; L169-K174 HydrophobicContact CD1-CG 3.89Å; L169-Y182 HydrophobicContact CB-CE1 4.17Å; L169-Y182 HydrophobicContact CD1-CD1 4.1Å; L169-Y182 HydrophobicContact CD1-CE1 3.73Å; L169-Y182 HydrophobicContact CG-CE1 4.49Å; L169-Y182 PolarHBondContact N-OH 3.34Å; L169-W219 HydrophobicContact CD2-CH2 3.72Å; L169-W219 HydrophobicContact CD2-CZ3 3.8Å; L169-L220 HydrophobicContact CD2-CD2 4.19Å; L169-Q223 HydrophobicContact CD2-CB 4.21Å; L169-W224 HydrophobicContact CD1-CE3 3.94Å; L169-W224 HydrophobicContact CD1-CH2 4.42Å; L169-W224 HydrophobicContact CD1-CZ3 3.64Å; L169-P229 WeakPolarHBondContact O-CA 3.35Å; L169-Y230 PolarHBondContact N-O 3.43Å; L169-Y230 PolarHBondContact O-N 3.14Å; L169-I232 HydrophobicContact CB-CD1 4.29Å
170T93.8Very high95.5Very high29 Ų2959.9 Ų59.918%0.17831%0.309CS..  trans-117.3175.7177.672.90000111.2L168 K172 E173 K174 P229L168-T170 HydrophobicContact CB-CG2 3.95Å; T170-K172 PolarHBondContact O-N 2.76Å; T170-K172 WeakPolarHBondContact OG1-CB 3.33Å; T170-K172 PolarHBondContact OG1-N 3.03Å; T170-E173 PolarHBondContact O-N 3.07Å; T170-K174 VanDerWaalsContact O-CG 3.3Å; T170-K174 WeakPolarHBondContact O-CG 3.35Å; T170-K174 PolarHBondContact O-N 2.96Å; T170-P229 HydrophobicContact CG2-CB 4.26Å
171K93.4Very high95.6Very high150 Ų15062.4 Ų62.465%0.65231%0.307SS*.Hα-helixtrans-53.1-38.8170.4-176177.9178.3-178.30112K174 T175K171-K174 PolarHBondContact O-N 3.11Å; K171-T175 HydrophobicContact CG-CG2 4.38Å; K171-T175 WeakPolarHBondContact O-CG2 3.42Å; K171-T175 PolarHBondContact O-N 3.47Å; K171-T175 PolarHBondContact O-OG1 3.21Å
172K93.7Very high95.6Very high121 Ų12162 Ų6253%0.52631%0.305SS..Hα-helixtrans-58.6-52.8179.9-178.3-175.7173.1-170.70110.9T170 K174 T175 Q176T170-K172 PolarHBondContact O-N 2.76Å; T170-K172 WeakPolarHBondContact OG1-CB 3.33Å; T170-K172 PolarHBondContact OG1-N 3.03Å; K172-K174 VanDerWaalsContact C-N 3.28Å; K172-K174 PolarHBondContact O-N 3.41Å; K172-T175 PolarHBondContact O-N 3.32Å; K172-T175 VanDerWaalsContact O-N 3.07Å; K172-T175 PolarHBondContact O-OG1 2.85Å; K172-Q176 WeakPolarHBondContact O-CG 3.31Å; K172-Q176 PolarHBondContact O-N 2.76Å
173E94Very high95.6Very high28 Ų2857.7 Ų57.713%0.13129%0.287CS..Hα-helixtrans-65.4-36.7-176.8-47.8-30.9143.200111.9L168 T170 T175 Q176 R177 Y182L168-E173 WeakPolarHBondContact O-CG 3.47Å; T170-E173 PolarHBondContact O-N 3.07Å; E173-T175 VanDerWaalsContact C-N 3.27Å; E173-T175 PolarHBondContact O-N 2.83Å; E173-Q176 PolarHBondContact O-N 3.34Å; E173-R177 PolarHBondContact O-N 3.37Å; E173-R177 IonicContact OE2-CZ 3.91Å; E173-R177 IonicContact OE2-NH1 3.67Å; E173-R177 PolarHBondContact OE2-NH1 2.72Å; E173-Y182 HydrophobicContact CB-CD2 4.15Å; E173-Y182 HydrophobicContact CB-CE2 3.87Å; E173-Y182 HydrophobicContact CG-CE2 4.07Å
174K93.7Very high95.7Very high37 Ų3760.9 Ų60.916%0.16130%0.301CS..Hα-helixtrans-65.1-26.6175.3-65.8169.4-179.8-158.20113.8L169 T170 K171 K172 Q223 W224 Q226L169-K174 HydrophobicContact CD1-CD 4.36Å; L169-K174 VanDerWaalsContact CD1-CE 3.49Å; L169-K174 HydrophobicContact CD1-CG 3.89Å; T170-K174 VanDerWaalsContact O-CG 3.3Å; T170-K174 WeakPolarHBondContact O-CG 3.35Å; T170-K174 PolarHBondContact O-N 2.96Å; K171-K174 PolarHBondContact O-N 3.11Å; K172-K174 VanDerWaalsContact C-N 3.28Å; K172-K174 PolarHBondContact O-N 3.41Å; K174-Q223 PolarHBondContact NZ-O 2.68Å; K174-W224 HydrophobicContact CB-CZ2 4.29Å; K174-W224 WeakPolarHBondContact CD-O 3.19Å; K174-W224 WeakPolarHBondContact CE-O 3.47Å; K174-W224 HydrophobicContact CG-CD2 4.32Å; K174-W224 HydrophobicContact CG-CH2 4.38Å; K174-W224 HydrophobicContact CG-CZ2 4.19Å; K174-W224 PolarHBondContact NZ-O 3.1Å; K174-Q226 PolarHBondContact NZ-O 2.92Å
175T94.6Very high95.9Very high103 Ų10362.6 Ų62.663%0.63231%0.308SS*.Hα-helixtrans-85.8-20.1176.454.40000113.7K171 K172 E173K171-T175 HydrophobicContact CG-CG2 4.38Å; K171-T175 WeakPolarHBondContact O-CG2 3.42Å; K171-T175 PolarHBondContact O-N 3.47Å; K171-T175 PolarHBondContact O-OG1 3.21Å; K172-T175 PolarHBondContact O-N 3.32Å; K172-T175 VanDerWaalsContact O-N 3.07Å; K172-T175 PolarHBondContact O-OG1 2.85Å; E173-T175 VanDerWaalsContact C-N 3.27Å; E173-T175 PolarHBondContact O-N 2.83Å
176Q95.8Very high96Very high117 Ų11759.1 Ų59.155%0.54729%0.287SS..Hα-helixtrans-100.3-17.4-173.4-69.2-177.1-1900113.6K172 E173K172-Q176 WeakPolarHBondContact O-CG 3.31Å; K172-Q176 PolarHBondContact O-N 2.76Å; E173-Q176 PolarHBondContact O-N 3.34Å
177R95.8Very high96.1Very high78 Ų7859.1 Ų59.129%0.29429%0.289SS..SBendtrans-140.3158.3-173.2-62.7175.1-175.893.3-3.8110.7E173 Q181 D185 W224E173-R177 PolarHBondContact O-N 3.37Å; E173-R177 IonicContact OE2-CZ 3.91Å; E173-R177 IonicContact OE2-NH1 3.67Å; E173-R177 PolarHBondContact OE2-NH1 2.72Å; R177-Q181 HydrophobicContact CB-CB 4.11Å; R177-D185 VanDerWaalsContact CD-OD2 3.24Å; R177-D185 WeakPolarHBondContact CD-OD2 3.42Å; R177-D185 IonicContact CZ-OD2 3.54Å; R177-D185 IonicContact NE-OD2 2.67Å; R177-D185 PolarHBondContact NE-OD2 3.28Å; R177-D185 IonicContact NH2-OD2 2.7Å; R177-W224 WeakPolarHBondContact O-CZ2 3.42Å
178T96.5Very high96.2Very high64 Ų6462.7 Ų62.739%0.39331%0.313SS..  trans-77.5166.6162.779.50000111E180 Q181 Y182 W224T178-E180 WeakPolarHBondContact CB-OE2 3.3Å; T178-E180 PolarHBondContact O-N 3.01Å; T178-E180 PolarHBondContact OG1-N 3.03Å; T178-E180 PolarHBondContact OG1-OE2 2.95Å; T178-Q181 PolarHBondContact O-N 2.9Å; T178-Q181 WeakPolarHBondContact OG1-CG 3.18Å; T178-Q181 PolarHBondContact OG1-N 3.06Å; T178-Q181 VanDerWaalsContact OG1-N 3.17Å; T178-Y182 WeakPolarHBondContact O-CB 3.39Å; T178-Y182 PolarHBondContact O-N 3.18Å; T178-W224 WeakPolarHBondContact O-CH2 3.15Å
179V96.9Very high96.3Very high26 Ų2666.4 Ų66.416%0.15833%0.329CS..Hα-helixtrans-61.1-36.4176.164.20000111.7G183 L220 W224V179-G183 PolarHBondContact O-N 2.86Å; V179-L220 HydrophobicContact CG2-CB 3.73Å; V179-W224 HydrophobicContact CB-CD2 3.63Å; V179-W224 HydrophobicContact CB-CE3 3.82Å; V179-W224 HydrophobicContact CB-CG 4.06Å; V179-W224 HydrophobicContact CB-CH2 4.39Å; V179-W224 HydrophobicContact CB-CZ2 4.22Å; V179-W224 HydrophobicContact CB-CZ3 4.2Å; V179-W224 HydrophobicContact CG2-CB 4.46Å; V179-W224 HydrophobicContact CG2-CD2 3.81Å; V179-W224 HydrophobicContact CG2-CE3 3.6Å; V179-W224 HydrophobicContact CG2-CG 4.2Å; V179-W224 HydrophobicContact CG2-CZ3 4.15Å
180E97.7Very high96.4Very high118 Ų11866.8 Ų66.855%0.55133%0.331SS*.Hα-helixtrans-67.8-49.5176-60.672.4-157.200111.3T178 Y182 G183 E184T178-E180 WeakPolarHBondContact CB-OE2 3.3Å; T178-E180 PolarHBondContact O-N 3.01Å; T178-E180 PolarHBondContact OG1-N 3.03Å; T178-E180 PolarHBondContact OG1-OE2 2.95Å; E180-Y182 VanDerWaalsContact C-N 3.34Å; E180-Y182 PolarHBondContact O-N 3.13Å; E180-G183 WeakPolarHBondContact O-CA 3.15Å; E180-G183 PolarHBondContact O-N 2.98Å; E180-G183 VanDerWaalsContact O-N 3.13Å; E180-E184 WeakPolarHBondContact O-CG 3.44Å; E180-E184 PolarHBondContact O-N 3.29Å
181Q97.9Very high96.5Very high105 Ų10570.1 Ų70.149%0.49135%0.351SS..Hα-helixtrans-58.1-46.6179.1-73173.7-29.400111.6R177 T178 G183 E184 D185R177-Q181 HydrophobicContact CB-CB 4.11Å; T178-Q181 PolarHBondContact O-N 2.9Å; T178-Q181 WeakPolarHBondContact OG1-CG 3.18Å; T178-Q181 PolarHBondContact OG1-N 3.06Å; T178-Q181 VanDerWaalsContact OG1-N 3.17Å; Q181-G183 VanDerWaalsContact C-N 3.32Å; Q181-G183 PolarHBondContact O-N 3.43Å; Q181-E184 PolarHBondContact O-N 3.21Å; Q181-D185 PolarHBondContact O-N 2.98Å
182Y98Very high96.7Very high1 Ų165.6 Ų65.60%0.00433%0.332CS..Hα-helixtrans-68.1-33.3178-173.5-105.3000112.6M167 L168 L169 E173 T178 E180 D185 I186 L220 W224 I232M167-Y182 HydrophobicContact CE-CE2 3.94Å; L168-Y182 PolarHBondContact O-OH 3.23Å; L169-Y182 HydrophobicContact CB-CE1 4.17Å; L169-Y182 HydrophobicContact CD1-CD1 4.1Å; L169-Y182 HydrophobicContact CD1-CE1 3.73Å; L169-Y182 HydrophobicContact CG-CE1 4.49Å; L169-Y182 PolarHBondContact N-OH 3.34Å; E173-Y182 HydrophobicContact CB-CD2 4.15Å; E173-Y182 HydrophobicContact CB-CE2 3.87Å; E173-Y182 HydrophobicContact CG-CE2 4.07Å; T178-Y182 WeakPolarHBondContact O-CB 3.39Å; T178-Y182 PolarHBondContact O-N 3.18Å; E180-Y182 VanDerWaalsContact C-N 3.34Å; E180-Y182 PolarHBondContact O-N 3.13Å; Y182-D185 PolarHBondContact O-N 2.99Å; Y182-I186 HydrophobicContact CD1-CD1 3.74Å; Y182-I186 HydrophobicContact CD1-CG1 4.48Å; Y182-I186 HydrophobicContact CE1-CD1 3.45Å; Y182-I186 VanDerWaalsContact CE1-CD1 3.45Å; Y182-I186 HydrophobicContact CE1-CG1 4.18Å; Y182-I186 WeakPolarHBondContact O-CG1 3.18Å; Y182-I186 PolarHBondContact O-N 3.48Å; Y182-L220 HydrophobicContact CD1-CD2 3.89Å; Y182-L220 HydrophobicContact CE1-CD2 4.07Å; Y182-W224 HydrophobicContact CD1-CH2 4.13Å; Y182-W224 AromaticContact CD1-CZ3 3.66Å; Y182-W224 HydrophobicContact CD1-CZ3 3.66Å; Y182-W224 AromaticContact CG-CH2 3.98Å; Y182-W224 HydrophobicContact CG-CH2 3.98Å; Y182-W224 AromaticContact CG-CZ3 4Å; Y182-W224 HydrophobicContact CG-CZ3 4Å; Y182-I232 HydrophobicContact CE1-CD1 3.93Å
183G98Very high96.8Very high5 Ų561.7 Ų61.75%0.05232%0.319CS..Hα-helixtrans-59.8-46.8171.200000112.2V179 E180 Q181 I186 L187V179-G183 PolarHBondContact O-N 2.86Å; E180-G183 WeakPolarHBondContact O-CA 3.15Å; E180-G183 PolarHBondContact O-N 2.98Å; E180-G183 VanDerWaalsContact O-N 3.13Å; Q181-G183 VanDerWaalsContact C-N 3.32Å; Q181-G183 PolarHBondContact O-N 3.43Å; G183-I186 WeakPolarHBondContact O-CB 3.24Å; G183-I186 PolarHBondContact O-N 3.33Å; G183-L187 WeakPolarHBondContact O-CG 3.24Å; G183-L187 PolarHBondContact O-N 2.71Å; G183-L187 VanDerWaalsContact O-N 3.09Å
184E97.9Very high96.9Very high91 Ų9160.4 Ų60.443%0.42531%0.313SS..Hα-helixtrans-67.9-36177.8-64.2-57135.100112.5E180 Q181 I186 L187 T188 R217E180-E184 WeakPolarHBondContact O-CG 3.44Å; E180-E184 PolarHBondContact O-N 3.29Å; Q181-E184 PolarHBondContact O-N 3.21Å; E184-I186 VanDerWaalsContact C-N 3.31Å; E184-I186 PolarHBondContact O-N 2.76Å; E184-L187 PolarHBondContact O-N 2.88Å; E184-T188 WeakPolarHBondContact O-CB 3.47Å; E184-T188 PolarHBondContact O-N 3.06Å; E184-T188 PolarHBondContact O-OG1 3.43Å; E184-R217 IonicContact OE1-NH2 2.92Å; E184-R217 PolarHBondContact OE1-NH2 2.99Å
185D97.8Very high96.9Very high46 Ų4660.2 Ų60.225%0.24631%0.311CS..Hα-helixtrans-59.1-43.2171.7-72.4-8.2000111.1M167 R177 Q181 Y182 T188 H189M167-D185 HydrophobicContact CE-CB 3.91Å; R177-D185 VanDerWaalsContact CD-OD2 3.24Å; R177-D185 WeakPolarHBondContact CD-OD2 3.42Å; R177-D185 IonicContact CZ-OD2 3.54Å; R177-D185 IonicContact NE-OD2 2.67Å; R177-D185 PolarHBondContact NE-OD2 3.28Å; R177-D185 IonicContact NH2-OD2 2.7Å; Q181-D185 PolarHBondContact O-N 2.98Å; Y182-D185 PolarHBondContact O-N 2.99Å; D185-T188 WeakPolarHBondContact O-CB 3.4Å; D185-T188 PolarHBondContact O-N 2.99Å; D185-H189 WeakPolarHBondContact O-CB 3.12Å; D185-H189 PolarHBondContact O-CD2 2.79Å; D185-H189 PolarHBondContact O-N 2.91Å
186I98Very high96.9Very high0 Ų055.3 Ų55.30%028%0.281CS..Hα-helixtrans-61.3-45.8175.6-70.4162.7000111.2M167 Y182 G183 E184 T188 H189 L190 L194 L216 L220 I232M167-I186 HydrophobicContact CE-CG1 4.14Å; M167-I186 HydrophobicContact SD-CB 4.28Å; M167-I186 HydrophobicContact SD-CG1 3.74Å; Y182-I186 HydrophobicContact CD1-CD1 3.74Å; Y182-I186 HydrophobicContact CD1-CG1 4.48Å; Y182-I186 HydrophobicContact CE1-CD1 3.45Å; Y182-I186 VanDerWaalsContact CE1-CD1 3.45Å; Y182-I186 HydrophobicContact CE1-CG1 4.18Å; Y182-I186 WeakPolarHBondContact O-CG1 3.18Å; Y182-I186 PolarHBondContact O-N 3.48Å; G183-I186 WeakPolarHBondContact O-CB 3.24Å; G183-I186 PolarHBondContact O-N 3.33Å; E184-I186 VanDerWaalsContact C-N 3.31Å; E184-I186 PolarHBondContact O-N 2.76Å; I186-T188 PolarHBondContact O-N 3.14Å; I186-H189 PolarHBondContact O-N 3.5Å; I186-L190 HydrophobicContact CG2-CB 4.38Å; I186-L190 HydrophobicContact CG2-CD1 4.18Å; I186-L190 PolarHBondContact O-N 3Å; I186-L194 HydrophobicContact CG2-CD1 3.68Å; I186-L216 HydrophobicContact CB-CD2 3.97Å; I186-L216 HydrophobicContact CD1-CD1 4.05Å; I186-L216 HydrophobicContact CD1-CD2 4.4Å; I186-L216 HydrophobicContact CG2-CD1 4.33Å; I186-L216 HydrophobicContact CG2-CD2 3.49Å; I186-L216 VanDerWaalsContact CG2-CD2 3.49Å; I186-L220 HydrophobicContact CD1-CD1 4.2Å; I186-L220 HydrophobicContact CD1-CD2 4.35Å; I186-I232 HydrophobicContact CD1-CD1 3.45Å; I186-I232 VanDerWaalsContact CD1-CD1 3.45Å; I186-I232 HydrophobicContact CG1-CD1 4.35Å; I186-I232 HydrophobicContact CG2-CG2 4.49Å
187L97.4Very high96.7Very high52 Ų5250.4 Ų50.427%0.27226%0.258SS..Hα-helixtrans-63.9-25.9179.1-64.2178.8000112.7G183 E184 F192 P213 L216G183-L187 WeakPolarHBondContact O-CG 3.24Å; G183-L187 PolarHBondContact O-N 2.71Å; G183-L187 VanDerWaalsContact O-N 3.09Å; E184-L187 PolarHBondContact O-N 2.88Å; L187-F192 HydrophobicContact CD2-CE2 3.39Å; L187-F192 HydrophobicContact CD2-CZ 3.77Å; L187-P213 HydrophobicContact CD1-CB 4.38Å; L187-P213 HydrophobicContact CD2-CB 4.03Å; L187-P213 HydrophobicContact CD2-CG 4.06Å; L187-L216 HydrophobicContact CD2-CD2 3.95Å; L187-L216 HydrophobicContact CG-CD2 4.31Å
188T97.7Very high96.5Very high106 Ų10647.3 Ų47.365%0.6525%0.248SC*.Hα-helixtrans-79.5-33.5177.1-57.60000112.2E184 D185 I186E184-T188 WeakPolarHBondContact O-CB 3.47Å; E184-T188 PolarHBondContact O-N 3.06Å; E184-T188 PolarHBondContact O-OG1 3.43Å; D185-T188 WeakPolarHBondContact O-CB 3.4Å; D185-T188 PolarHBondContact O-N 2.99Å; I186-T188 PolarHBondContact O-N 3.14Å
189H97.5Very high96Very high118 Ų11845 Ų4555%0.54623%0.233SC..Hα-helixtrans-108.4-19.5-169.5-67.9-54.8000115.4M167 D185 I186M167-H189 HydrophobicContact SD-CB 3.9Å; D185-H189 WeakPolarHBondContact O-CB 3.12Å; D185-H189 PolarHBondContact O-CD2 2.79Å; D185-H189 PolarHBondContact O-N 2.91Å; I186-H189 PolarHBondContact O-N 3.5Å
190L97.9Very high95.3Very high8 Ų845.2 Ų45.24%0.04223%0.232CC..  trans-127.6144.3-176.9-53.8-179.7000111.5T165 M167 I186 L194 I232 E234T165-L190 HydrophobicContact CG2-CD2 3.69Å; M167-L190 HydrophobicContact CB-CD1 4.14Å; M167-L190 HydrophobicContact CG-CD1 3.98Å; M167-L190 HydrophobicContact CG-CD2 4.41Å; M167-L190 HydrophobicContact CG-CG 4.17Å; M167-L190 HydrophobicContact SD-CD1 4.3Å; M167-L190 HydrophobicContact SD-CG 4.24Å; I186-L190 HydrophobicContact CG2-CB 4.38Å; I186-L190 HydrophobicContact CG2-CD1 4.18Å; I186-L190 PolarHBondContact O-N 3Å; L190-L194 HydrophobicContact CB-CD2 3.6Å; L190-L194 HydrophobicContact CD1-CD2 4.19Å; L190-I232 HydrophobicContact CD1-CB 4.36Å; L190-I232 HydrophobicContact CD1-CG2 3.87Å; L190-I232 WeakPolarHBondContact CD1-O 3.37Å; L190-E234 HydrophobicContact CB-CG 4.06Å; L190-E234 HydrophobicContact CD2-CG 4Å
191T96.8Very high94.5Very high99 Ų9940 Ų4061%0.60721%0.21SC*.PPolyproline II helixtrans-101.3136.5179.3-45.80000111L194 E234T191-L194 WeakPolarHBondContact O-CD2 3.28Å; T191-E234 VanDerWaalsContact CB-OE1 3.27Å; T191-E234 WeakPolarHBondContact CB-OE1 3.25Å; T191-E234 PolarHBondContact N-OE1 3.23Å; T191-E234 PolarHBondContact OG1-OE1 3.22Å
192F96.9Very high93.7Very high54 Ų5435.6 Ų35.624%0.23719%0.191CC..SBendtrans-67.6150.2173.9-73.5-80.6000112.5L187 L194 L210 S212 P213 L216L187-F192 HydrophobicContact CD2-CE2 3.39Å; L187-F192 HydrophobicContact CD2-CZ 3.77Å; F192-L194 HydrophobicContact CD1-CD1 4.15Å; F192-L194 HydrophobicContact CD1-CG 3.85Å; F192-L194 HydrophobicContact CE1-CD1 3.69Å; F192-L194 HydrophobicContact CE1-CG 3.91Å; F192-L194 HydrophobicContact CG-CG 4.48Å; F192-L194 HydrophobicContact CZ-CD1 4.01Å; F192-L210 WeakPolarHBondContact CD1-O 3.47Å; F192-L210 HydrophobicContact CE1-CB 4.42Å; F192-S212 VanDerWaalsContact CE1-O 3.26Å; F192-S212 WeakPolarHBondContact CE1-O 3.42Å; F192-S212 WeakPolarHBondContact CZ-O 3.24Å; F192-P213 HydrophobicContact CD2-CG 4.42Å; F192-P213 HydrophobicContact CE2-CB 4.37Å; F192-P213 HydrophobicContact CE2-CG 3.7Å; F192-P213 HydrophobicContact CZ-CB 4.45Å; F192-P213 HydrophobicContact CZ-CG 4.2Å; F192-L216 HydrophobicContact CE1-CB 4.19Å; F192-L216 HydrophobicContact CZ-CB 3.96Å; F192-L216 HydrophobicContact CZ-CD2 4.07Å
193P96Very high92.7Very high40 Ų4037.4 Ų37.426%0.2621%0.206SC..SBendcis-81.61520.633.4-34.2000112.9L209 L210 K235P193-L209 HydrophobicContact CB-CD1 3.87Å; P193-L209 HydrophobicContact CB-CG 4.36Å; P193-L209 HydrophobicContact CG-CD1 4.37Å; P193-L210 CarbonylContact C-O 3.39Å; P193-L210 VanDerWaalsContact CA-O 3.27Å; P193-L210 WeakPolarHBondContact CA-O 3.34Å; P193-L210 WeakPolarHBondContact CB-O 3.18Å; P193-K235 HydrophobicContact CG-CB 3.73Å; P193-K235 HydrophobicContact CG-CD 3.55Å; P193-K235 HydrophobicContact CG-CG 4.26Å; P193-K235 WeakPolarHBondContact O-CB 3.2Å; P193-K235 PolarHBondContact O-N 3.26Å
194L96.7Very high91.9Very high0 Ų037.8 Ų37.80%021%0.208CC..EExtended strand (participates in β ladder)trans-107.4131.1-178.3-55.3175.9000111I186 L190 T191 F192 L210 L216 I232 E233 E234I186-L194 HydrophobicContact CG2-CD1 3.68Å; L190-L194 HydrophobicContact CB-CD2 3.6Å; L190-L194 HydrophobicContact CD1-CD2 4.19Å; T191-L194 WeakPolarHBondContact O-CD2 3.28Å; F192-L194 HydrophobicContact CD1-CD1 4.15Å; F192-L194 HydrophobicContact CD1-CG 3.85Å; F192-L194 HydrophobicContact CE1-CD1 3.69Å; F192-L194 HydrophobicContact CE1-CG 3.91Å; F192-L194 HydrophobicContact CG-CG 4.48Å; F192-L194 HydrophobicContact CZ-CD1 4.01Å; L194-L210 HydrophobicContact CB-CB 4.33Å; L194-L210 PolarHBondContact N-O 2.94Å; L194-L210 PolarHBondContact O-N 2.98Å; L194-L216 HydrophobicContact CD1-CD1 4.37Å; L194-L216 HydrophobicContact CD1-CD2 4.35Å; L194-I232 HydrophobicContact CB-CG2 4.32Å; L194-I232 HydrophobicContact CD1-CG2 4.02Å; L194-E233 CarbonylContact C-O 3.53Å; L194-E233 VanDerWaalsContact CA-O 3.28Å; L194-E233 WeakPolarHBondContact CA-O 3.43Å; L194-E234 HydrophobicContact CD2-CG 4.47Å
195Y93.7Very high91.1Very high33 Ų3334.7 Ų34.713%0.12920%0.195CC..EExtended strand (participates in β ladder)trans-89.3126.9165.2-88-72.4000110.1L209 E233 K235Y195-L209 HydrophobicContact CD1-CD1 4.1Å; Y195-L209 HydrophobicContact CD2-CD1 3.95Å; Y195-L209 HydrophobicContact CE1-CB 4.22Å; Y195-L209 HydrophobicContact CE1-CD1 3.97Å; Y195-L209 HydrophobicContact CE2-CD1 3.82Å; Y195-L209 HydrophobicContact CG-CD1 4.1Å; Y195-E233 PolarHBondContact N-O 3.13Å; Y195-E233 PolarHBondContact O-N 3.02Å; Y195-K235 HydrophobicContact CD2-CB 4.15Å; Y195-K235 HydrophobicContact CD2-CG 4.38Å; Y195-K235 HydrophobicContact CE2-CB 4.26Å; Y195-K235 HydrophobicContact CE2-CD 4.4Å; Y195-K235 HydrophobicContact CE2-CG 4Å
196V94.4Very high90.5Very high0 Ų034 Ų340%020%0.199CC..EExtended strand (participates in β ladder)trans-111.1133.3171.5-62.90000110.1H207 Q208 L210 W219 L231 I232V196-H207 CarbonylContact O-C 3.55Å; V196-H207 VanDerWaalsContact O-CA 3.27Å; V196-H207 WeakPolarHBondContact O-CA 3.35Å; V196-Q208 HydrophobicContact CG2-CB 3.66Å; V196-Q208 HydrophobicContact CG2-CG 4.44Å; V196-Q208 PolarHBondContact N-O 3.18Å; V196-Q208 PolarHBondContact O-N 3.19Å; V196-L210 HydrophobicContact CG1-CD1 3.52Å; V196-L210 HydrophobicContact CG1-CG 4.23Å; V196-L210 HydrophobicContact CG2-CD1 4.17Å; V196-L210 HydrophobicContact CG2-CG 4.22Å; V196-W219 HydrophobicContact CB-CD2 4.48Å; V196-W219 HydrophobicContact CB-CH2 4.08Å; V196-W219 HydrophobicContact CB-CZ2 3.62Å; V196-W219 HydrophobicContact CG1-CD2 4.26Å; V196-W219 HydrophobicContact CG1-CE3 4.27Å; V196-W219 HydrophobicContact CG1-CH2 4.01Å; V196-W219 HydrophobicContact CG1-CZ2 3.98Å; V196-W219 HydrophobicContact CG1-CZ3 4.14Å; V196-W219 HydrophobicContact CG2-CD2 4.2Å; V196-W219 HydrophobicContact CG2-CG 4.46Å; V196-W219 HydrophobicContact CG2-CZ2 3.87Å; V196-L231 WeakPolarHBondContact CA-O 3.44Å; V196-I232 HydrophobicContact CG1-CB 4.28Å; V196-I232 HydrophobicContact CG1-CG1 3.98Å; V196-I232 HydrophobicContact CG1-CG2 3.99Å
197K91.7Very high90Very high15 Ų1535.7 Ų35.77%0.06521%0.207CC..EExtended strand (participates in β ladder)trans-149.5145.6-178.161.6-171.1-179.2-166.80112.6K149 H207 Y230 L231 E233K149-K197 HydrophobicContact CD-CD 4.02Å; K149-K197 VanDerWaalsContact CD-CE 3.5Å; K197-H207 VanDerWaalsContact CB-CD2 3.45Å; K197-H207 WeakPolarHBondContact CB-CD2 3.39Å; K197-H207 WeakPolarHBondContact CB-NE2 3.2Å; K197-Y230 WeakPolarHBondContact O-CA 3.26Å; K197-Y230 WeakPolarHBondContact O-CD1 3.44Å; K197-L231 HydrophobicContact CG-CB 4.2Å; K197-L231 PolarHBondContact N-O 3.33Å; K197-L231 PolarHBondContact O-N 2.83Å; K197-E233 WeakPolarHBondContact CE-OE1 3.25Å; K197-E233 WeakPolarHBondContact CE-OE2 3.47Å; K197-E233 IonicContact NZ-OE1 2.71Å; K197-E233 PolarHBondContact NZ-OE1 3.34Å; K197-E233 IonicContact NZ-OE2 3.83Å; K197-E233 PolarHBondContact NZ-OE2 2.98Å
198P90.3Very high89.8Confident13 Ų1337.4 Ų37.48%0.08421%0.213CC..EExtended strand (participates in β ladder)trans-59.8140.7172-21.732.3000111.5K149 H200 G201 V205 E228 Y230K149-P198 PolarHBondContact NZ-O 3.33Å; P198-H200 PolarHBondContact O-N 2.9Å; P198-G201 PolarHBondContact O-N 3.04Å; P198-V205 WeakPolarHBondContact CD-O 3.44Å; P198-E228 HydrophobicContact CB-CG 4.22Å; P198-Y230 HydrophobicContact CB-CE1 4.39Å; P198-Y230 HydrophobicContact CG-CD1 4.3Å; P198-Y230 HydrophobicContact CG-CE1 3.7Å
199Q87.1Confident89.5Confident15 Ų1534.5 Ų34.57%0.0719%0.194CC..THydrogen-bonded Turntrans-58.5-49.6-178.7-178176.9-17.200111.9D148 K149 L150 P229 L231D148-Q199 PolarHBondContact OD1-NE2 3.44Å; D148-Q199 PolarHBondContact OD2-NE2 2.55Å; K149-Q199 PolarHBondContact NZ-O 2.88Å; L150-Q199 HydrophobicContact CB-CG 4.47Å; Q199-P229 HydrophobicContact CB-CB 4.2Å; Q199-P229 HydrophobicContact CB-CG 3.95Å; Q199-P229 PolarHBondContact N-O 2.99Å; Q199-L231 HydrophobicContact CB-CD1 3.57Å; Q199-L231 HydrophobicContact CG-CD1 3.79Å
200H82.8Confident89.5Confident30 Ų3029.1 Ų29.114%0.13917%0.169CC..THydrogen-bonded Turntrans-97.18.9-175.6-50.7-56.1000113.3R86 N87 L88 D148 P198R86-H200 VanDerWaalsContact O-O 3.06Å; N87-H200 WeakPolarHBondContact OD1-CB 3.43Å; L88-H200 PolarHBondContact N-O 3.26Å; L88-H200 VanDerWaalsContact N-O 3.14Å; D148-H200 IonicContact OD2-CE1 3.33Å; P198-H200 PolarHBondContact O-N 2.9Å
201G80.5Confident89.4Confident8 Ų832.2 Ų32.28%0.08219%0.191CC..BIsolated β-bridgetrans-72.5142.518000000113.1R86 K149 P198R86-G201 WeakPolarHBondContact O-CA 3.3Å; K149-G201 PolarHBondContact NZ-O 2.94Å; P198-G201 PolarHBondContact O-N 3.04Å
202C81Confident89.4Confident14 Ų1429.5 Ų29.510%0.09518%0.176CC..  trans-115.7170.8167.667.50000112.3R86 L88 E120 S204 V205R86-C202 PolarHBondContact O-N 3.08Å; L88-C202 HydrophobicContact CD1-CB 4.34Å; L88-C202 HydrophobicContact CD2-CB 4.3Å; L88-C202 HydrophobicContact CG-CB 4.45Å; E120-C202 VanDerWaalsContact OE1-CB 3.25Å; E120-C202 WeakPolarHBondContact OE1-CB 3.33Å; C202-S204 VanDerWaalsContact C-N 3.27Å; C202-S204 PolarHBondContact O-N 2.89Å; C202-V205 WeakPolarHBondContact O-CG2 3.45Å; C202-V205 PolarHBondContact O-N 2.94Å
203A76.4Confident89.5Confident38 Ų3829.4 Ų29.431%0.31418%0.181SC..THydrogen-bonded Turntrans57.331.6173.600000115.7V205 G414 L415A203-V205 HydrophobicContact CB-CG2 4.41Å; A203-V205 PolarHBondContact O-N 3.02Å; A203-V205 VanDerWaalsContact O-N 3.14Å; A203-G414 CarbonylContact O-C 3.52Å; A203-G414 VanDerWaalsContact O-CA 3.26Å; A203-G414 WeakPolarHBondContact O-CA 3.23Å; A203-L415 HydrophobicContact CB-CB 4.16Å; A203-L415 PolarHBondContact O-N 2.79Å
204S81.2Confident89.6Confident14 Ų1429.4 Ų29.410%0.09819%0.189CC..THydrogen-bonded Turntrans55.623.8-177.3-52.40000114.7C202 H207C202-S204 VanDerWaalsContact C-N 3.27Å; C202-S204 PolarHBondContact O-N 2.89Å; S204-H207 VanDerWaalsContact C-CD2 3.44Å
205V82Confident89.7Confident25 Ų2533.3 Ų33.315%0.15221%0.207CC..THydrogen-bonded Turntrans-74130.9177.7-179.50000109.6R86 P198 C202 A203 H207R86-V205 HydrophobicContact CG-CG2 4.25Å; P198-V205 WeakPolarHBondContact CD-O 3.44Å; C202-V205 WeakPolarHBondContact O-CG2 3.45Å; C202-V205 PolarHBondContact O-N 2.94Å; A203-V205 HydrophobicContact CB-CG2 4.41Å; A203-V205 PolarHBondContact O-N 3.02Å; A203-V205 VanDerWaalsContact O-N 3.14Å; V205-H207 PolarHBondContact O-N 3Å
206G84.8Confident89.9Confident33 Ų3331.8 Ų31.834%0.3420%0.201SC..THydrogen-bonded Turntrans78.37.9179.500000113.9
207H88.2Confident90Very high34 Ų3437.7 Ų37.716%0.15722%0.223CC..  trans-74.3138.4174.7-71.1-146.3000110.2V196 K197 S204 V205V196-H207 CarbonylContact O-C 3.55Å; V196-H207 VanDerWaalsContact O-CA 3.27Å; V196-H207 WeakPolarHBondContact O-CA 3.35Å; K197-H207 VanDerWaalsContact CB-CD2 3.45Å; K197-H207 WeakPolarHBondContact CB-CD2 3.39Å; K197-H207 WeakPolarHBondContact CB-NE2 3.2Å; S204-H207 VanDerWaalsContact C-CD2 3.44Å; V205-H207 PolarHBondContact O-N 3Å
208Q91.4Very high90.3Very high88 Ų8843.1 Ų43.141%0.41125%0.249SC..EExtended strand (participates in β ladder)trans-138.1151170.1-54.9-1781200109.9V196 W219V196-Q208 HydrophobicContact CG2-CB 3.66Å; V196-Q208 HydrophobicContact CG2-CG 4.44Å; V196-Q208 PolarHBondContact N-O 3.18Å; V196-Q208 PolarHBondContact O-N 3.19Å; Q208-W219 VanDerWaalsContact OE1-CD1 3.31Å
209L93.2Very high90.7Very high45 Ų4542.9 Ų42.924%0.23625%0.246CC..EExtended strand (participates in β ladder)trans-103.9124.5170.4-175.367.2000108P193 Y195P193-L209 HydrophobicContact CB-CD1 3.87Å; P193-L209 HydrophobicContact CB-CG 4.36Å; P193-L209 HydrophobicContact CG-CD1 4.37Å; Y195-L209 HydrophobicContact CD1-CD1 4.1Å; Y195-L209 HydrophobicContact CD2-CD1 3.95Å; Y195-L209 HydrophobicContact CE1-CB 4.22Å; Y195-L209 HydrophobicContact CE1-CD1 3.97Å; Y195-L209 HydrophobicContact CE2-CD1 3.82Å; Y195-L209 HydrophobicContact CG-CD1 4.1Å
210L95.9Very high91.2Very high5 Ų542.2 Ų42.23%0.02624%0.243CC..EExtended strand (participates in β ladder)trans-107.4122.3176.7-49.1176.9000107.7F192 P193 L194 V196 Q215 L216 W219F192-L210 WeakPolarHBondContact CD1-O 3.47Å; F192-L210 HydrophobicContact CE1-CB 4.42Å; P193-L210 CarbonylContact C-O 3.39Å; P193-L210 VanDerWaalsContact CA-O 3.27Å; P193-L210 WeakPolarHBondContact CA-O 3.34Å; P193-L210 WeakPolarHBondContact CB-O 3.18Å; L194-L210 HydrophobicContact CB-CB 4.33Å; L194-L210 PolarHBondContact N-O 2.94Å; L194-L210 PolarHBondContact O-N 2.98Å; V196-L210 HydrophobicContact CG1-CD1 3.52Å; V196-L210 HydrophobicContact CG1-CG 4.23Å; V196-L210 HydrophobicContact CG2-CD1 4.17Å; V196-L210 HydrophobicContact CG2-CG 4.22Å; L210-Q215 HydrophobicContact CB-CB 4.42Å; L210-Q215 HydrophobicContact CD2-CB 4.3Å; L210-L216 HydrophobicContact CD1-CB 4.47Å; L210-L216 HydrophobicContact CD1-CD1 4Å; L210-W219 HydrophobicContact CD1-CB 4.11Å; L210-W219 HydrophobicContact CD1-CD2 4.26Å; L210-W219 HydrophobicContact CD1-CE3 4.41Å; L210-W219 HydrophobicContact CD1-CG 4.12Å; L210-W219 HydrophobicContact CD2-CB 4.02Å; L210-W219 HydrophobicContact CD2-CG 4.23Å
211S96.4Very high91.8Very high73 Ų7346.9 Ų46.951%0.5127%0.265SS..  trans-106-5.2-174.5-58.80000113.4
212S97.8Very high92.5Very high42 Ų4250.3 Ų50.329%0.29429%0.285SS..SBendtrans-152.3159.2-178.374.10000113.5F192 G214 Q215 L216F192-S212 VanDerWaalsContact CE1-O 3.26Å; F192-S212 WeakPolarHBondContact CE1-O 3.42Å; F192-S212 WeakPolarHBondContact CZ-O 3.24Å; S212-G214 PolarHBondContact O-N 2.79Å; S212-Q215 PolarHBondContact O-N 2.64Å; S212-Q215 VanDerWaalsContact O-N 3.13Å; S212-Q215 PolarHBondContact OG-N 2.81Å; S212-L216 PolarHBondContact O-N 2.99Å; S212-L216 VanDerWaalsContact O-N 3.07Å
213P98.1Very high93.2Very high52 Ų5250.8 Ų50.834%0.33829%0.285SS..Hα-helixtrans-54.1-35.8172.4-2733.8000113.6L187 F192 L216 R217L187-P213 HydrophobicContact CD1-CB 4.38Å; L187-P213 HydrophobicContact CD2-CB 4.03Å; L187-P213 HydrophobicContact CD2-CG 4.06Å; F192-P213 HydrophobicContact CD2-CG 4.42Å; F192-P213 HydrophobicContact CE2-CB 4.37Å; F192-P213 HydrophobicContact CE2-CG 3.7Å; F192-P213 HydrophobicContact CZ-CB 4.45Å; F192-P213 HydrophobicContact CZ-CG 4.2Å; P213-L216 PolarHBondContact O-N 2.99Å; P213-R217 WeakPolarHBondContact O-CG 3.38Å; P213-R217 PolarHBondContact O-N 3.33Å
214G98Very high94.1Very high41 Ų4150.7 Ų50.742%0.42328%0.277SS..Hα-helixtrans-63.7-43.8177.300000112.7S212 L216 R217 Q218S212-G214 PolarHBondContact O-N 2.79Å; G214-L216 VanDerWaalsContact C-N 3.34Å; G214-R217 PolarHBondContact O-N 3.45Å; G214-Q218 PolarHBondContact O-N 2.78Å; G214-Q218 VanDerWaalsContact O-N 3.1Å
215Q98Very high94.6Very high81 Ų8156.7 Ų56.738%0.37931%0.308SS..Hα-helixtrans-65.9-38175.9-71.1180-10.500111.8L210 S212 Q218 W219L210-Q215 HydrophobicContact CB-CB 4.42Å; L210-Q215 HydrophobicContact CD2-CB 4.3Å; S212-Q215 PolarHBondContact O-N 2.64Å; S212-Q215 VanDerWaalsContact O-N 3.13Å; S212-Q215 PolarHBondContact OG-N 2.81Å; Q215-Q218 PolarHBondContact O-N 3.03Å; Q215-W219 VanDerWaalsContact O-CB 3.28Å; Q215-W219 WeakPolarHBondContact O-CB 3.48Å; Q215-W219 PolarHBondContact O-N 2.82Å
216L98.3Very high95Very high1 Ų160.4 Ų60.41%0.00532%0.323CS..Hα-helixtrans-59.8-48.9173.7175.164.8000111.9I186 L187 F192 L194 L210 S212 P213 G214 Q218 W219 L220I186-L216 HydrophobicContact CB-CD2 3.97Å; I186-L216 HydrophobicContact CD1-CD1 4.05Å; I186-L216 HydrophobicContact CD1-CD2 4.4Å; I186-L216 HydrophobicContact CG2-CD1 4.33Å; I186-L216 HydrophobicContact CG2-CD2 3.49Å; I186-L216 VanDerWaalsContact CG2-CD2 3.49Å; L187-L216 HydrophobicContact CD2-CD2 3.95Å; L187-L216 HydrophobicContact CG-CD2 4.31Å; F192-L216 HydrophobicContact CE1-CB 4.19Å; F192-L216 HydrophobicContact CZ-CB 3.96Å; F192-L216 HydrophobicContact CZ-CD2 4.07Å; L194-L216 HydrophobicContact CD1-CD1 4.37Å; L194-L216 HydrophobicContact CD1-CD2 4.35Å; L210-L216 HydrophobicContact CD1-CB 4.47Å; L210-L216 HydrophobicContact CD1-CD1 4Å; S212-L216 PolarHBondContact O-N 2.99Å; S212-L216 VanDerWaalsContact O-N 3.07Å; P213-L216 PolarHBondContact O-N 2.99Å; G214-L216 VanDerWaalsContact C-N 3.34Å; L216-Q218 PolarHBondContact O-N 3.23Å; L216-W219 HydrophobicContact CD1-CE3 4.5Å; L216-W219 PolarHBondContact O-N 3.07Å; L216-L220 HydrophobicContact CD1-CD1 3.94Å; L216-L220 HydrophobicContact CD1-CG 3.98Å; L216-L220 HydrophobicContact CG-CD1 3.94Å; L216-L220 HydrophobicContact CG-CG 4.38Å; L216-L220 WeakPolarHBondContact O-CB 3.45Å; L216-L220 WeakPolarHBondContact O-CG 3.04Å; L216-L220 PolarHBondContact O-N 2.91Å
217R97.9Very high95.2Very high124 Ų12466.2 Ų66.247%0.46834%0.344SS..Hα-helixtrans-59.2-47.2178.9-71.7178.8-173122.72.2111.7E184 P213 G214 W219 L220 Q221E184-R217 IonicContact OE1-NH2 2.92Å; E184-R217 PolarHBondContact OE1-NH2 2.99Å; P213-R217 WeakPolarHBondContact O-CG 3.38Å; P213-R217 PolarHBondContact O-N 3.33Å; G214-R217 PolarHBondContact O-N 3.45Å; R217-W219 VanDerWaalsContact C-N 3.35Å; R217-W219 PolarHBondContact O-N 2.82Å; R217-L220 PolarHBondContact O-N 2.88Å; R217-Q221 VanDerWaalsContact O-CG 3.31Å; R217-Q221 WeakPolarHBondContact O-CG 3.2Å; R217-Q221 PolarHBondContact O-N 2.73Å
218Q97.8Very high95.2Very high129 Ų12967.5 Ų67.560%0.60335%0.35SS*.Hα-helixtrans-61.5-43.4177.5-175.8-177.45.200112.1G214 Q215 L216 T222G214-Q218 PolarHBondContact O-N 2.78Å; G214-Q218 VanDerWaalsContact O-N 3.1Å; Q215-Q218 PolarHBondContact O-N 3.03Å; L216-Q218 PolarHBondContact O-N 3.23Å; Q218-T222 PolarHBondContact O-N 3.15Å; Q218-T222 VanDerWaalsContact O-N 3.15Å; Q218-T222 PolarHBondContact O-OG1 3.45Å
219W97.5Very high95.2Very high9 Ų964.5 Ų64.53%0.03434%0.338CS..Hα-helixtrans-63.9-47.2178.6179.486000111.4L169 V196 Q208 L210 Q215 L216 R217 Q221 T222 Q223 Y230 I232L169-W219 HydrophobicContact CD2-CH2 3.72Å; L169-W219 HydrophobicContact CD2-CZ3 3.8Å; V196-W219 HydrophobicContact CB-CD2 4.48Å; V196-W219 HydrophobicContact CB-CH2 4.08Å; V196-W219 HydrophobicContact CB-CZ2 3.62Å; V196-W219 HydrophobicContact CG1-CD2 4.26Å; V196-W219 HydrophobicContact CG1-CE3 4.27Å; V196-W219 HydrophobicContact CG1-CH2 4.01Å; V196-W219 HydrophobicContact CG1-CZ2 3.98Å; V196-W219 HydrophobicContact CG1-CZ3 4.14Å; V196-W219 HydrophobicContact CG2-CD2 4.2Å; V196-W219 HydrophobicContact CG2-CG 4.46Å; V196-W219 HydrophobicContact CG2-CZ2 3.87Å; Q208-W219 VanDerWaalsContact OE1-CD1 3.31Å; L210-W219 HydrophobicContact CD1-CB 4.11Å; L210-W219 HydrophobicContact CD1-CD2 4.26Å; L210-W219 HydrophobicContact CD1-CE3 4.41Å; L210-W219 HydrophobicContact CD1-CG 4.12Å; L210-W219 HydrophobicContact CD2-CB 4.02Å; L210-W219 HydrophobicContact CD2-CG 4.23Å; Q215-W219 VanDerWaalsContact O-CB 3.28Å; Q215-W219 WeakPolarHBondContact O-CB 3.48Å; Q215-W219 PolarHBondContact O-N 2.82Å; L216-W219 HydrophobicContact CD1-CE3 4.5Å; L216-W219 PolarHBondContact O-N 3.07Å; R217-W219 VanDerWaalsContact C-N 3.35Å; R217-W219 PolarHBondContact O-N 2.82Å; W219-Q221 PolarHBondContact O-N 2.97Å; W219-T222 WeakPolarHBondContact O-CB 3.26Å; W219-T222 PolarHBondContact O-N 3.33Å; W219-T222 VanDerWaalsContact O-N 3.11Å; W219-Q223 HydrophobicContact CD2-CG 3.95Å; W219-Q223 VanDerWaalsContact CE2-CG 3.43Å; W219-Q223 HydrophobicContact CG-CG 4.35Å; W219-Q223 HydrophobicContact CH2-CB 4.43Å; W219-Q223 HydrophobicContact CH2-CG 4.33Å; W219-Q223 HydrophobicContact CZ2-CB 4.22Å; W219-Q223 HydrophobicContact CZ2-CG 3.65Å; W219-Q223 WeakPolarHBondContact O-CG 3.32Å; W219-Q223 PolarHBondContact O-N 3.21Å; W219-Y230 HydrophobicContact CH2-CD1 4.2Å; W219-Y230 AromaticContact CH2-CG 3.98Å; W219-Y230 HydrophobicContact CH2-CG 3.98Å; W219-Y230 AromaticContact CZ2-CD1 3.61Å; W219-Y230 HydrophobicContact CZ2-CD1 3.61Å; W219-Y230 HydrophobicContact CZ2-CD2 4.35Å; W219-Y230 HydrophobicContact CZ2-CE1 4.01Å; W219-Y230 AromaticContact CZ2-CG 3.8Å; W219-Y230 HydrophobicContact CZ2-CG 3.8Å; W219-I232 HydrophobicContact CH2-CD1 4.22Å; W219-I232 HydrophobicContact CH2-CG1 4.13Å; W219-I232 HydrophobicContact CZ3-CD1 3.77Å; W219-I232 HydrophobicContact CZ3-CG1 4.1Å
220L97.9Very high95.3Very high1 Ų163.5 Ų63.51%0.00533%0.331CS..Hα-helixtrans-57.9-48.5177-77.8173.1000111.2L169 V179 Y182 I186 L216 R217 T222 Q223 W224L169-L220 HydrophobicContact CD2-CD2 4.19Å; V179-L220 HydrophobicContact CG2-CB 3.73Å; Y182-L220 HydrophobicContact CD1-CD2 3.89Å; Y182-L220 HydrophobicContact CE1-CD2 4.07Å; I186-L220 HydrophobicContact CD1-CD1 4.2Å; I186-L220 HydrophobicContact CD1-CD2 4.35Å; L216-L220 HydrophobicContact CD1-CD1 3.94Å; L216-L220 HydrophobicContact CD1-CG 3.98Å; L216-L220 HydrophobicContact CG-CD1 3.94Å; L216-L220 HydrophobicContact CG-CG 4.38Å; L216-L220 WeakPolarHBondContact O-CB 3.45Å; L216-L220 WeakPolarHBondContact O-CG 3.04Å; L216-L220 PolarHBondContact O-N 2.91Å; R217-L220 PolarHBondContact O-N 2.88Å; L220-T222 PolarHBondContact O-N 2.78Å; L220-Q223 CarbonylContact O-C 3.48Å; L220-Q223 PolarHBondContact O-N 3.1Å; L220-Q223 VanDerWaalsContact O-N 3.15Å; L220-W224 HydrophobicContact CD2-CE3 4.32Å; L220-W224 HydrophobicContact CD2-CZ3 4.27Å; L220-W224 WeakPolarHBondContact O-CA 3.3Å; L220-W224 VanDerWaalsContact O-CB 3.24Å; L220-W224 WeakPolarHBondContact O-CB 3.45Å; L220-W224 PolarHBondContact O-N 3.44Å
221Q96.5Very high95.2Very high127 Ų12763.3 Ų63.359%0.59333%0.33SS*.Hα-helixtrans-55.5-38.1176.5-74172.5-14.900112.6R217 W219R217-Q221 VanDerWaalsContact O-CG 3.31Å; R217-Q221 WeakPolarHBondContact O-CG 3.2Å; R217-Q221 PolarHBondContact O-N 2.73Å; W219-Q221 PolarHBondContact O-N 2.97Å
222T95.2Very high95.2Very high81 Ų8159.8 Ų59.850%0.49731%0.306SS..Hα-helixtrans-73.4-39.5179.4-530000112.1Q218 W219 L220Q218-T222 PolarHBondContact O-N 3.15Å; Q218-T222 VanDerWaalsContact O-N 3.15Å; Q218-T222 PolarHBondContact O-OG1 3.45Å; W219-T222 WeakPolarHBondContact O-CB 3.26Å; W219-T222 PolarHBondContact O-N 3.33Å; W219-T222 VanDerWaalsContact O-N 3.11Å; L220-T222 PolarHBondContact O-N 2.78Å
223Q94.8Very high95.1Very high23 Ų2358.5 Ų58.511%0.10730%0.295CS..Hα-helixtrans-92.6-11.2-175.3-59.2-48.5-50.600113.9L169 K174 W219 L220 N225 Q226 Y230L169-Q223 HydrophobicContact CD2-CB 4.21Å; K174-Q223 PolarHBondContact NZ-O 2.68Å; W219-Q223 HydrophobicContact CD2-CG 3.95Å; W219-Q223 VanDerWaalsContact CE2-CG 3.43Å; W219-Q223 HydrophobicContact CG-CG 4.35Å; W219-Q223 HydrophobicContact CH2-CB 4.43Å; W219-Q223 HydrophobicContact CH2-CG 4.33Å; W219-Q223 HydrophobicContact CZ2-CB 4.22Å; W219-Q223 HydrophobicContact CZ2-CG 3.65Å; W219-Q223 WeakPolarHBondContact O-CG 3.32Å; W219-Q223 PolarHBondContact O-N 3.21Å; L220-Q223 CarbonylContact O-C 3.48Å; L220-Q223 PolarHBondContact O-N 3.1Å; L220-Q223 VanDerWaalsContact O-N 3.15Å; Q223-N225 VanDerWaalsContact C-N 3.32Å; Q223-N225 PolarHBondContact O-N 3.41Å; Q223-Q226 WeakPolarHBondContact O-CB 3.36Å; Q223-Q226 PolarHBondContact O-N 2.87Å; Q223-Y230 HydrophobicContact CG-CE2 4.45Å; Q223-Y230 PolarHBondContact OE1-OH 3.09Å
224W95.2Very high95Very high36 Ų3658 Ų5814%0.13629%0.288CS..THydrogen-bonded Turntrans-58.2-45.1-171.5-160.5-104.8000111.9L169 K174 R177 T178 V179 Y182 L220 Q226L169-W224 HydrophobicContact CD1-CE3 3.94Å; L169-W224 HydrophobicContact CD1-CH2 4.42Å; L169-W224 HydrophobicContact CD1-CZ3 3.64Å; K174-W224 HydrophobicContact CB-CZ2 4.29Å; K174-W224 WeakPolarHBondContact CD-O 3.19Å; K174-W224 WeakPolarHBondContact CE-O 3.47Å; K174-W224 HydrophobicContact CG-CD2 4.32Å; K174-W224 HydrophobicContact CG-CH2 4.38Å; K174-W224 HydrophobicContact CG-CZ2 4.19Å; K174-W224 PolarHBondContact NZ-O 3.1Å; R177-W224 WeakPolarHBondContact O-CZ2 3.42Å; T178-W224 WeakPolarHBondContact O-CH2 3.15Å; V179-W224 HydrophobicContact CB-CD2 3.63Å; V179-W224 HydrophobicContact CB-CE3 3.82Å; V179-W224 HydrophobicContact CB-CG 4.06Å; V179-W224 HydrophobicContact CB-CH2 4.39Å; V179-W224 HydrophobicContact CB-CZ2 4.22Å; V179-W224 HydrophobicContact CB-CZ3 4.2Å; V179-W224 HydrophobicContact CG2-CB 4.46Å; V179-W224 HydrophobicContact CG2-CD2 3.81Å; V179-W224 HydrophobicContact CG2-CE3 3.6Å; V179-W224 HydrophobicContact CG2-CG 4.2Å; V179-W224 HydrophobicContact CG2-CZ3 4.15Å; Y182-W224 HydrophobicContact CD1-CH2 4.13Å; Y182-W224 AromaticContact CD1-CZ3 3.66Å; Y182-W224 HydrophobicContact CD1-CZ3 3.66Å; Y182-W224 AromaticContact CG-CH2 3.98Å; Y182-W224 HydrophobicContact CG-CH2 3.98Å; Y182-W224 AromaticContact CG-CZ3 4Å; Y182-W224 HydrophobicContact CG-CZ3 4Å; L220-W224 HydrophobicContact CD2-CE3 4.32Å; L220-W224 HydrophobicContact CD2-CZ3 4.27Å; L220-W224 WeakPolarHBondContact O-CA 3.3Å; L220-W224 VanDerWaalsContact O-CB 3.24Å; L220-W224 WeakPolarHBondContact O-CB 3.45Å; L220-W224 PolarHBondContact O-N 3.44Å; W224-Q226 VanDerWaalsContact C-N 3.32Å; W224-Q226 PolarHBondContact O-N 3.17Å
225N92.5Very high94.8Very high140 Ų14060.7 Ų60.775%0.74929%0.288SS*.THydrogen-bonded Turntrans-87.51.4-178.3-62.7-32.7000113.8Q223Q223-N225 VanDerWaalsContact C-N 3.32Å; Q223-N225 PolarHBondContact O-N 3.41Å
226Q90.7Very high94.7Very high103 Ų10358.1 Ų58.148%0.48128%0.277SS..  trans-79.8142.7176.6-57.6-61.3-29.300110.7K174 Q223 W224 E228K174-Q226 PolarHBondContact NZ-O 2.92Å; Q223-Q226 WeakPolarHBondContact O-CB 3.36Å; Q223-Q226 PolarHBondContact O-N 2.87Å; W224-Q226 VanDerWaalsContact C-N 3.32Å; W224-Q226 PolarHBondContact O-N 3.17Å; Q226-E228 VanDerWaalsContact C-N 3.34Å
227M87.4Confident94.4Very high156 Ų15663.1 Ų63.177%0.76831%0.307SS*.  trans-76.5-23.2178.7-71.2-62.1-63.500113.4
228E88.5Confident94.3Very high60 Ų6058.8 Ų58.828%0.2830%0.301SS..SBendtrans-63.5128.5-176.7-172.369.4-143.700111.2P198 Q226 Y230P198-E228 HydrophobicContact CB-CG 4.22Å; Q226-E228 VanDerWaalsContact C-N 3.34Å; E228-Y230 HydrophobicContact CB-CE2 4.06Å; E228-Y230 HydrophobicContact CG-CE2 4.06Å; E228-Y230 WeakPolarHBondContact O-CD2 3.37Å
229P92Very high94.3Very high25 Ų2554.9 Ų54.916%0.16228%0.283CS..  trans-76.3142.3173.829.8-33.2000112.1L169 T170 Q199L169-P229 WeakPolarHBondContact O-CA 3.35Å; T170-P229 HydrophobicContact CG2-CB 4.26Å; Q199-P229 HydrophobicContact CB-CB 4.2Å; Q199-P229 HydrophobicContact CB-CG 3.95Å; Q199-P229 PolarHBondContact N-O 2.99Å
230Y94.4Very high94.3Very high25 Ų2555 Ų5510%0.09828%0.284CS..EExtended strand (participates in β ladder)trans-123.8149.6178.4-77.2-99.4000112.4L169 K197 P198 W219 Q223 E228L169-Y230 PolarHBondContact N-O 3.43Å; L169-Y230 PolarHBondContact O-N 3.14Å; K197-Y230 WeakPolarHBondContact O-CA 3.26Å; K197-Y230 WeakPolarHBondContact O-CD1 3.44Å; P198-Y230 HydrophobicContact CB-CE1 4.39Å; P198-Y230 HydrophobicContact CG-CD1 4.3Å; P198-Y230 HydrophobicContact CG-CE1 3.7Å; W219-Y230 HydrophobicContact CH2-CD1 4.2Å; W219-Y230 AromaticContact CH2-CG 3.98Å; W219-Y230 HydrophobicContact CH2-CG 3.98Å; W219-Y230 AromaticContact CZ2-CD1 3.61Å; W219-Y230 HydrophobicContact CZ2-CD1 3.61Å; W219-Y230 HydrophobicContact CZ2-CD2 4.35Å; W219-Y230 HydrophobicContact CZ2-CE1 4.01Å; W219-Y230 AromaticContact CZ2-CG 3.8Å; W219-Y230 HydrophobicContact CZ2-CG 3.8Å; Q223-Y230 HydrophobicContact CG-CE2 4.45Å; Q223-Y230 PolarHBondContact OE1-OH 3.09Å; E228-Y230 HydrophobicContact CB-CE2 4.06Å; E228-Y230 HydrophobicContact CG-CE2 4.06Å; E228-Y230 WeakPolarHBondContact O-CD2 3.37Å
231L94.6Very high94.3Very high0 Ų055 Ų550%028%0.284CS..EExtended strand (participates in β ladder)trans-98.2137.4161.7-70.974.5000108.4K149 K166 L168 V196 K197 Q199 E233K149-L231 HydrophobicContact CB-CD1 4.45Å; K149-L231 HydrophobicContact CB-CD2 3.77Å; K166-L231 HydrophobicContact CD-CD2 4.32Å; L168-L231 HydrophobicContact CD2-CD1 4.37Å; L168-L231 HydrophobicContact CD2-CG 3.79Å; V196-L231 WeakPolarHBondContact CA-O 3.44Å; K197-L231 HydrophobicContact CG-CB 4.2Å; K197-L231 PolarHBondContact N-O 3.33Å; K197-L231 PolarHBondContact O-N 2.83Å; Q199-L231 HydrophobicContact CB-CD1 3.57Å; Q199-L231 HydrophobicContact CG-CD1 3.79Å; L231-E233 HydrophobicContact CB-CG 4.15Å; L231-E233 WeakPolarHBondContact CD2-OE1 3.41Å
232I96.8Very high94.4Very high0 Ų049 Ų490%026%0.256CS..EExtended strand (participates in β ladder)trans-117.4112.2173-51.9173000105.5K166 M167 L169 Y182 I186 L190 L194 V196 W219K166-I232 CarbonylContact C-O 3.39Å; K166-I232 WeakPolarHBondContact CA-O 3.41Å; K166-I232 WeakPolarHBondContact CB-O 3.21Å; M167-I232 PolarHBondContact N-O 3.14Å; M167-I232 PolarHBondContact O-N 3.01Å; L169-I232 HydrophobicContact CB-CD1 4.29Å; Y182-I232 HydrophobicContact CE1-CD1 3.93Å; I186-I232 HydrophobicContact CD1-CD1 3.45Å; I186-I232 VanDerWaalsContact CD1-CD1 3.45Å; I186-I232 HydrophobicContact CG1-CD1 4.35Å; I186-I232 HydrophobicContact CG2-CG2 4.49Å; L190-I232 HydrophobicContact CD1-CB 4.36Å; L190-I232 HydrophobicContact CD1-CG2 3.87Å; L190-I232 WeakPolarHBondContact CD1-O 3.37Å; L194-I232 HydrophobicContact CB-CG2 4.32Å; L194-I232 HydrophobicContact CD1-CG2 4.02Å; V196-I232 HydrophobicContact CG1-CB 4.28Å; V196-I232 HydrophobicContact CG1-CG1 3.98Å; V196-I232 HydrophobicContact CG1-CG2 3.99Å; W219-I232 HydrophobicContact CH2-CD1 4.22Å; W219-I232 HydrophobicContact CH2-CG1 4.13Å; W219-I232 HydrophobicContact CZ3-CD1 3.77Å; W219-I232 HydrophobicContact CZ3-CG1 4.1Å
233E96Very high94.5Very high14 Ų1445.1 Ų45.17%0.06523%0.232CC..EExtended strand (participates in β ladder)trans-123.5145.3-170.6-55.3-177.4161.500110.4A164 T165 K166 L194 Y195 K197 L231A164-E233 HydrophobicContact CB-CB 4.04Å; A164-E233 HydrophobicContact CB-CG 4.43Å; T165-E233 WeakPolarHBondContact O-CA 3.42Å; K166-E233 HydrophobicContact CB-CB 4.37Å; K166-E233 HydrophobicContact CB-CG 3.8Å; L194-E233 CarbonylContact C-O 3.53Å; L194-E233 VanDerWaalsContact CA-O 3.28Å; L194-E233 WeakPolarHBondContact CA-O 3.43Å; Y195-E233 PolarHBondContact N-O 3.13Å; Y195-E233 PolarHBondContact O-N 3.02Å; K197-E233 WeakPolarHBondContact CE-OE1 3.25Å; K197-E233 WeakPolarHBondContact CE-OE2 3.47Å; K197-E233 IonicContact NZ-OE1 2.71Å; K197-E233 PolarHBondContact NZ-OE1 3.34Å; K197-E233 IonicContact NZ-OE2 3.83Å; K197-E233 PolarHBondContact NZ-OE2 2.98Å; L231-E233 HydrophobicContact CB-CG 4.15Å; L231-E233 WeakPolarHBondContact CD2-OE1 3.41Å
234E95.8Very high94.6Very high43 Ų4344.4 Ų44.420%0.20123%0.229CC..EExtended strand (participates in β ladder)trans-62.5143.1166.1-65.2-176137.800110T165 L190 T191 L194 I236T165-E234 WeakPolarHBondContact CB-OE2 3.27Å; T165-E234 PolarHBondContact O-N 3.47Å; T165-E234 PolarHBondContact OG1-OE2 3.24Å; L190-E234 HydrophobicContact CB-CG 4.06Å; L190-E234 HydrophobicContact CD2-CG 4Å; T191-E234 VanDerWaalsContact CB-OE1 3.27Å; T191-E234 WeakPolarHBondContact CB-OE1 3.25Å; T191-E234 PolarHBondContact N-OE1 3.23Å; T191-E234 PolarHBondContact OG1-OE1 3.22Å; L194-E234 HydrophobicContact CD2-CG 4.47Å; E234-I236 PolarHBondContact O-N 2.72Å
235K93.9Very high94.7Very high96 Ų9643 Ų4342%0.41722%0.223SC..PPolyproline II helixtrans-62.4121.8167.4176.7176.8179.3-174.70109.2P193 Y195P193-K235 HydrophobicContact CG-CB 3.73Å; P193-K235 HydrophobicContact CG-CD 3.55Å; P193-K235 HydrophobicContact CG-CG 4.26Å; P193-K235 WeakPolarHBondContact O-CB 3.2Å; P193-K235 PolarHBondContact O-N 3.26Å; Y195-K235 HydrophobicContact CD2-CB 4.15Å; Y195-K235 HydrophobicContact CD2-CG 4.38Å; Y195-K235 HydrophobicContact CE2-CB 4.26Å; Y195-K235 HydrophobicContact CE2-CD 4.4Å; Y195-K235 HydrophobicContact CE2-CG 4Å
236I94.1Very high94.9Very high28 Ų2836.3 Ų36.314%0.14419%0.188CC..PPolyproline II helixtrans-72.1133173.7-53.8162.6000109.1A164 E234 F313 V322 I324A164-I236 HydrophobicContact CB-CD1 4.02Å; A164-I236 HydrophobicContact CB-CG1 3.97Å; E234-I236 PolarHBondContact O-N 2.72Å; I236-F313 HydrophobicContact CB-CB 4.24Å; I236-F313 HydrophobicContact CB-CD2 3.57Å; I236-F313 HydrophobicContact CB-CE2 4.07Å; I236-F313 HydrophobicContact CB-CG 3.91Å; I236-F313 HydrophobicContact CD1-CD2 3.53Å; I236-F313 HydrophobicContact CD1-CE2 4.05Å; I236-F313 HydrophobicContact CD1-CG 4.48Å; I236-F313 HydrophobicContact CG1-CD2 4.15Å; I236-F313 HydrophobicContact CG2-CB 3.45Å; I236-F313 VanDerWaalsContact CG2-CB 3.45Å; I236-F313 HydrophobicContact CG2-CD1 4.5Å; I236-F313 HydrophobicContact CG2-CD2 3.77Å; I236-F313 HydrophobicContact CG2-CG 3.67Å; I236-V322 HydrophobicContact CD1-CB 4.3Å; I236-V322 HydrophobicContact CD1-CG1 3.61Å; I236-V322 HydrophobicContact CG1-CG1 4.12Å; I236-V322 HydrophobicContact CG2-CB 3.99Å; I236-V322 HydrophobicContact CG2-CG1 4.22Å; I236-V322 HydrophobicContact CG2-CG2 4.03Å; I236-I324 HydrophobicContact CD1-CG1 4.04Å
237V92.6Very high95.1Very high105 Ų10531.4 Ų31.464%0.63617%0.165SC*.PPolyproline II helixtrans-92.4124.6175.3178.80000109.3N315V237-N315 PolarHBondContact O-ND2 3.45Å
238G95.9Very high95.5Very high34 Ų3424.7 Ų24.735%0.35113%0.131SC..SBendtrans152.5-174.6176.900000112.6F314G238-F314 CarbonylContact C-O 3.57Å; G238-F314 WeakPolarHBondContact CA-O 3.42Å
239E97Very high95.7Very high47 Ų4728.2 Ų28.222%0.2215%0.148CC..EExtended strand (participates in β ladder)trans-87133.9171.5-62.8-178.4108.900109.6F241 K259 R285 F313 F314E239-F241 HydrophobicContact CB-CD2 4.31Å; E239-F241 HydrophobicContact CB-CE2 3.6Å; E239-F241 HydrophobicContact CB-CZ 4.26Å; E239-F241 WeakPolarHBondContact O-CD2 3.42Å; E239-K259 VanDerWaalsContact OE1-CE 3.24Å; E239-K259 WeakPolarHBondContact OE1-CE 3.44Å; E239-K259 IonicContact OE1-NZ 3.21Å; E239-K259 PolarHBondContact OE1-NZ 2.8Å; E239-R285 IonicContact OE1-NH1 2.65Å; E239-R285 PolarHBondContact OE1-NH1 3.42Å; E239-R285 IonicContact OE2-CZ 3.78Å; E239-R285 IonicContact OE2-NH1 3.4Å; E239-R285 PolarHBondContact OE2-NH1 3.22Å; E239-F313 CarbonylContact O-C 3.44Å; E239-F313 VanDerWaalsContact O-CA 3.29Å; E239-F313 WeakPolarHBondContact O-CA 3.42Å; E239-F314 PolarHBondContact N-O 2.99Å; E239-F314 PolarHBondContact O-N 3.39Å
240E97.8Very high95.8Very high12 Ų1229.5 Ų29.56%0.05615%0.153CC..EExtended strand (participates in β ladder)trans-85.5132.3177.4-170.8-174.6-135.200110.2N260 P263 I264 L312 F313 I324E240-N260 HydrophobicContact CB-CB 4.1Å; E240-N260 VanDerWaalsContact CD-ND2 3.29Å; E240-N260 HydrophobicContact CG-CB 4.35Å; E240-N260 WeakPolarHBondContact O-CB 3.35Å; E240-N260 PolarHBondContact O-N 3.26Å; E240-N260 PolarHBondContact OE2-ND2 3.16Å; E240-P263 WeakPolarHBondContact OE2-CA 3.5Å; E240-I264 PolarHBondContact OE2-N 2.99Å; E240-L312 CarbonylContact C-O 3.48Å; E240-L312 WeakPolarHBondContact CA-O 3.35Å; E240-F313 HydrophobicContact CB-CD1 3.98Å; E240-F313 HydrophobicContact CB-CE1 3.64Å; E240-F313 HydrophobicContact CB-CZ 4.02Å; E240-F313 HydrophobicContact CG-CE1 4.31Å; E240-F313 HydrophobicContact CG-CZ 4.22Å; E240-I324 HydrophobicContact CG-CD1 4.15Å
241F98.2Very high95.8Very high0 Ų034.5 Ų34.50%018%0.176CC..EExtended strand (participates in β ladder)trans-121.7153.4175.8-70.9-90.9000111.3E239 T257 F258 K259 I279 L289 Q311 L312 F314E239-F241 HydrophobicContact CB-CD2 4.31Å; E239-F241 HydrophobicContact CB-CE2 3.6Å; E239-F241 HydrophobicContact CB-CZ 4.26Å; E239-F241 WeakPolarHBondContact O-CD2 3.42Å; F241-T257 HydrophobicContact CD1-CG2 4.24Å; F241-F258 CarbonylContact C-O 3.52Å; F241-F258 VanDerWaalsContact CA-O 3.25Å; F241-F258 WeakPolarHBondContact CA-O 3.41Å; F241-F258 WeakPolarHBondContact CD1-O 3.35Å; F241-K259 HydrophobicContact CD1-CB 4.1Å; F241-K259 HydrophobicContact CE1-CB 3.65Å; F241-K259 HydrophobicContact CE1-CG 4.13Å; F241-K259 HydrophobicContact CZ-CB 4.3Å; F241-K259 HydrophobicContact CZ-CG 4.3Å; F241-I279 HydrophobicContact CD1-CD1 4.49Å; F241-I279 HydrophobicContact CE1-CD1 4.03Å; F241-L289 HydrophobicContact CB-CD2 4.24Å; F241-L289 HydrophobicContact CD1-CD1 3.57Å; F241-L289 HydrophobicContact CD1-CD2 4.5Å; F241-L289 HydrophobicContact CD2-CD1 4.24Å; F241-L289 HydrophobicContact CD2-CD2 3.95Å; F241-L289 HydrophobicContact CE1-CD1 3.65Å; F241-L289 HydrophobicContact CE2-CD1 4.28Å; F241-L289 HydrophobicContact CE2-CD2 4.44Å; F241-L289 HydrophobicContact CG-CD1 3.9Å; F241-L289 HydrophobicContact CG-CD2 3.98Å; F241-L289 HydrophobicContact CZ-CD1 4.01Å; F241-Q311 WeakPolarHBondContact O-CA 3.35Å; F241-L312 HydrophobicContact CB-CD1 4.19Å; F241-L312 HydrophobicContact CB-CG 4.17Å; F241-L312 HydrophobicContact CD2-CD1 4.48Å; F241-L312 PolarHBondContact N-O 3.36Å; F241-L312 PolarHBondContact O-N 3.44Å; F241-L312 VanDerWaalsContact O-N 3.08Å; F241-F314 HydrophobicContact CD2-CB 3.91Å; F241-F314 HydrophobicContact CE2-CB 3.83Å; F241-F314 HydrophobicContact CE2-CD1 4.39Å
242T97.9Very high95.8Very high0 Ų037.4 Ų37.40%019%0.191CC..EExtended strand (participates in β ladder)trans-128.3129.6166.9-53.20000109.5Y244 F258 N260 K276 F309 I310 Q311T242-Y244 HydrophobicContact CG2-CD1 4.15Å; T242-Y244 HydrophobicContact CG2-CD2 4.23Å; T242-Y244 HydrophobicContact CG2-CE1 3.6Å; T242-Y244 HydrophobicContact CG2-CE2 3.74Å; T242-Y244 HydrophobicContact CG2-CG 4.44Å; T242-Y244 VanDerWaalsContact CG2-CZ 3.41Å; T242-F258 PolarHBondContact N-O 2.87Å; T242-F258 PolarHBondContact O-N 2.95Å; T242-N260 PolarHBondContact OG1-ND2 3.04Å; T242-N260 PolarHBondContact OG1-OD1 2.82Å; T242-K276 PolarHBondContact OG1-NZ 3.46Å; T242-F309 HydrophobicContact CG2-CD2 4.42Å; T242-I310 WeakPolarHBondContact CA-O 3.33Å; T242-Q311 HydrophobicContact CG2-CG 4.03Å
243I98.1Very high95.7Very high0 Ų039.5 Ų39.50%020%0.202CC..EExtended strand (participates in β ladder)trans-114111.6177.2-52.3177.2000107.3M245 S255 T257 L289 A293 F309 I310 L312I243-M245 HydrophobicContact CB-CE 4.25Å; I243-M245 HydrophobicContact CG2-CE 4.02Å; I243-M245 HydrophobicContact CG2-CG 4Å; I243-M245 HydrophobicContact CG2-SD 4.15Å; I243-S255 WeakPolarHBondContact CG2-OG 3.47Å; I243-T257 HydrophobicContact CD1-CG2 4.5Å; I243-T257 HydrophobicContact CG1-CG2 3.99Å; I243-L289 HydrophobicContact CD1-CB 4.07Å; I243-L289 WeakPolarHBondContact CD1-O 3.23Å; I243-A293 HydrophobicContact CD1-CB 3.9Å; I243-A293 HydrophobicContact CG2-CB 4.4Å; I243-F309 WeakPolarHBondContact O-CA 3.41Å; I243-F309 VanDerWaalsContact O-CB 3.24Å; I243-F309 WeakPolarHBondContact O-CB 3.38Å; I243-I310 HydrophobicContact CB-CG1 4.02Å; I243-I310 HydrophobicContact CD1-CD1 4.26Å; I243-I310 HydrophobicContact CD1-CG1 4.44Å; I243-I310 HydrophobicContact CG1-CG1 4.41Å; I243-I310 PolarHBondContact N-O 2.96Å; I243-I310 PolarHBondContact O-N 2.89Å; I243-I310 VanDerWaalsContact O-N 3.1Å; I243-L312 HydrophobicContact CD1-CD2 4.03Å
244Y97.5Very high95.6Very high9 Ų939.1 Ų39.14%0.03520%0.2CC..EExtended strand (participates in β ladder)trans-92.8124.7175.7-60.8-71.3000109.3T242 S255 K256 F258 K276 F309 P331 Y335 F372T242-Y244 HydrophobicContact CG2-CD1 4.15Å; T242-Y244 HydrophobicContact CG2-CD2 4.23Å; T242-Y244 HydrophobicContact CG2-CE1 3.6Å; T242-Y244 HydrophobicContact CG2-CE2 3.74Å; T242-Y244 HydrophobicContact CG2-CG 4.44Å; T242-Y244 VanDerWaalsContact CG2-CZ 3.41Å; Y244-S255 CarbonylContact O-C 3.48Å; Y244-S255 VanDerWaalsContact O-CA 3.26Å; Y244-S255 WeakPolarHBondContact O-CA 3.25Å; Y244-K256 PolarHBondContact N-O 3.07Å; Y244-K256 PolarHBondContact O-N 3.26Å; Y244-F258 AromaticContact CD2-CD2 3.53Å; Y244-F258 HydrophobicContact CD2-CD2 3.53Å; Y244-F258 AromaticContact CD2-CE2 3.58Å; Y244-F258 HydrophobicContact CD2-CE2 3.58Å; Y244-F258 AromaticContact CE2-CD2 3.7Å; Y244-F258 HydrophobicContact CE2-CD2 3.7Å; Y244-F258 AromaticContact CE2-CE2 3.97Å; Y244-F258 HydrophobicContact CE2-CE2 3.97Å; Y244-F258 HydrophobicContact CE2-CG 4.37Å; Y244-K276 PolarHBondContact OH-NZ 2.75Å; Y244-F309 HydrophobicContact CD1-CB 3.61Å; Y244-F309 HydrophobicContact CD1-CD1 4.28Å; Y244-F309 HydrophobicContact CD1-CD2 4.47Å; Y244-F309 AromaticContact CD1-CG 3.9Å; Y244-F309 HydrophobicContact CD1-CG 3.9Å; Y244-F309 HydrophobicContact CE1-CB 4.23Å; Y244-F309 HydrophobicContact CE1-CD1 4.49Å; Y244-F309 HydrophobicContact CE1-CD2 4.26Å; Y244-F309 HydrophobicContact CE1-CG 4.09Å; Y244-F309 HydrophobicContact CG-CB 4.42Å; Y244-P331 HydrophobicContact CD1-CB 3.66Å; Y244-P331 HydrophobicContact CD1-CG 3.9Å; Y244-P331 HydrophobicContact CE1-CB 3.25Å; Y244-P331 HydrophobicContact CE1-CG 3.94Å; Y244-Y335 VanDerWaalsContact CB-CZ 3.47Å; Y244-Y335 AromaticContact CD1-CD1 3.88Å; Y244-Y335 HydrophobicContact CD1-CD1 3.88Å; Y244-Y335 HydrophobicContact CD1-CE1 4.09Å; Y244-Y335 HydrophobicContact CD1-CG 4.4Å; Y244-Y335 AromaticContact CD2-CD1 3.82Å; Y244-Y335 HydrophobicContact CD2-CD1 3.82Å; Y244-Y335 AromaticContact CD2-CD2 3.69Å; Y244-Y335 HydrophobicContact CD2-CD2 3.69Å; Y244-Y335 AromaticContact CD2-CE1 3.96Å; Y244-Y335 HydrophobicContact CD2-CE1 3.96Å; Y244-Y335 AromaticContact CD2-CE2 3.87Å; Y244-Y335 HydrophobicContact CD2-CE2 3.87Å; Y244-Y335 AromaticContact CD2-CG 3.65Å; Y244-Y335 HydrophobicContact CD2-CG 3.65Å; Y244-Y335 AromaticContact CD2-CZ 3.98Å; Y244-Y335 HydrophobicContact CE1-CD1 4.31Å; Y244-Y335 HydrophobicContact CE2-CD1 4.22Å; Y244-Y335 HydrophobicContact CE2-CD2 4.01Å; Y244-Y335 AromaticContact CE2-CG 3.77Å; Y244-Y335 HydrophobicContact CE2-CG 3.77Å; Y244-Y335 AromaticContact CG-CD1 3.62Å; Y244-Y335 HydrophobicContact CG-CD1 3.62Å; Y244-Y335 HydrophobicContact CG-CD2 4.28Å; Y244-Y335 AromaticContact CG-CE1 3.54Å; Y244-Y335 HydrophobicContact CG-CE1 3.54Å; Y244-Y335 HydrophobicContact CG-CE2 4.25Å; Y244-Y335 AromaticContact CG-CG 3.97Å; Y244-Y335 HydrophobicContact CG-CG 3.97Å; Y244-Y335 AromaticContact CG-CZ 3.88Å; Y244-F372 HydrophobicContact CE2-CZ 4.38Å
245M96.9Very high95.6Very high5 Ų538.3 Ų38.33%0.02520%0.199CC..EExtended strand (participates in β ladder)trans-125.2150.2-177.7-65.9161.7-81.500110.6I243 I247 I252 H254 A293 I297 F308 I310I243-M245 HydrophobicContact CB-CE 4.25Å; I243-M245 HydrophobicContact CG2-CE 4.02Å; I243-M245 HydrophobicContact CG2-CG 4Å; I243-M245 HydrophobicContact CG2-SD 4.15Å; M245-I247 HydrophobicContact CB-CD1 4.49Å; M245-I247 HydrophobicContact CB-CG1 4.2Å; M245-I252 HydrophobicContact CB-CG2 4.47Å; M245-I252 HydrophobicContact CG-CG2 4.32Å; M245-I252 HydrophobicContact SD-CD1 4.03Å; M245-I252 HydrophobicContact SD-CG1 4.42Å; M245-H254 CarbonylContact C-O 3.56Å; M245-H254 VanDerWaalsContact CA-O 3.29Å; M245-H254 WeakPolarHBondContact CA-O 3.24Å; M245-A293 HydrophobicContact CE-CB 4.34Å; M245-A293 HydrophobicContact SD-CB 4.02Å; M245-I297 HydrophobicContact SD-CD1 3.63Å; M245-I297 HydrophobicContact SD-CG1 4.48Å; M245-F308 CarbonylContact C-O 3.55Å; M245-F308 VanDerWaalsContact CA-O 3.32Å; M245-F308 WeakPolarHBondContact CA-O 3.45Å; M245-F308 WeakPolarHBondContact CB-O 3.47Å; M245-F308 HydrophobicContact CE-CD1 3.58Å; M245-F308 HydrophobicContact CE-CE1 3.84Å; M245-F308 PolarHBondContact N-O 3.29Å; M245-F308 PolarHBondContact O-N 2.7Å; M245-F308 HydrophobicContact SD-CD1 4.34Å; M245-I310 HydrophobicContact CE-CG1 4.05Å; M245-I310 HydrophobicContact CE-CG2 4.2Å
246F96.5Very high95.7Very high0 Ų035.3 Ų35.30%019%0.186CC..EExtended strand (participates in β ladder)trans-111122.8162.9-161.3-79.1000108.2L253 H254 G306 L307 L347 M350 H351 A354 V359 F361F246-L253 HydrophobicContact CD1-CB 4.42Å; F246-L253 HydrophobicContact CD1-CD1 4.33Å; F246-L253 PolarHBondContact O-N 3.14Å; F246-H254 HydrophobicContact CB-CB 3.98Å; F246-H254 PolarHBondContact N-O 3.49Å; F246-H254 PolarHBondContact O-N 2.65Å; F246-G306 CarbonylContact C-O 3.52Å; F246-G306 WeakPolarHBondContact CA-O 3.35Å; F246-L307 HydrophobicContact CD2-CD2 3.79Å; F246-L307 HydrophobicContact CD2-CG 4.46Å; F246-L307 HydrophobicContact CE2-CD2 4.28Å; F246-L347 HydrophobicContact CD2-CD2 4.44Å; F246-M350 HydrophobicContact CD2-CB 4.38Å; F246-M350 HydrophobicContact CE2-CB 3.58Å; F246-M350 VanDerWaalsContact CZ-C 3.49Å; F246-M350 HydrophobicContact CZ-CB 3.86Å; F246-M350 VanDerWaalsContact CZ-O 3.29Å; F246-M350 WeakPolarHBondContact CZ-O 3.25Å; F246-H351 HydrophobicContact CE2-CB 4.5Å; F246-A354 HydrophobicContact CE1-CB 3.64Å; F246-A354 HydrophobicContact CZ-CB 3.52Å; F246-V359 HydrophobicContact CD1-CG2 4.48Å; F246-V359 HydrophobicContact CE1-CG2 3.6Å; F246-V359 HydrophobicContact CZ-CG2 4.14Å; F246-F361 HydrophobicContact CB-CE1 4.47Å; F246-F361 HydrophobicContact CB-CE2 4.01Å; F246-F361 HydrophobicContact CB-CZ 3.75Å; F246-F361 HydrophobicContact CD1-CD2 4.47Å; F246-F361 AromaticContact CD1-CE2 3.32Å; F246-F361 HydrophobicContact CD1-CE2 3.32Å; F246-F361 AromaticContact CD1-CZ 3.6Å; F246-F361 HydrophobicContact CD1-CZ 3.6Å; F246-F361 HydrophobicContact CD2-CE2 4.17Å; F246-F361 AromaticContact CD2-CZ 3.54Å; F246-F361 HydrophobicContact CD2-CZ 3.54Å; F246-F361 AromaticContact CE1-CE2 3.76Å; F246-F361 HydrophobicContact CE1-CE2 3.76Å; F246-F361 HydrophobicContact CE1-CZ 4.04Å; F246-F361 AromaticContact CE2-CZ 3.99Å; F246-F361 HydrophobicContact CE2-CZ 3.99Å; F246-F361 HydrophobicContact CG-CE1 4.38Å; F246-F361 AromaticContact CG-CE2 3.55Å; F246-F361 HydrophobicContact CG-CE2 3.55Å; F246-F361 AromaticContact CG-CZ 3.31Å; F246-F361 HydrophobicContact CG-CZ 3.31Å; F246-F361 HydrophobicContact CZ-CE2 4.33Å; F246-F361 HydrophobicContact CZ-CZ 4.21Å
247I95.9Very high95.9Very high0 Ų034 Ų340%018%0.179CC..EExtended strand (participates in β ladder)trans-118.6138.1-173.3-60.5-176.5000109.7M245 K251 I297 I303 N305 G306 F308M245-I247 HydrophobicContact CB-CD1 4.49Å; M245-I247 HydrophobicContact CB-CG1 4.2Å; I247-K251 VanDerWaalsContact CA-O 3.25Å; I247-K251 WeakPolarHBondContact CA-O 3.45Å; I247-I297 HydrophobicContact CD1-CD1 3.72Å; I247-I297 HydrophobicContact CD1-CG1 3.76Å; I247-I303 HydrophobicContact CD1-CD1 3.92Å; I247-I303 HydrophobicContact CD1-CG2 4.17Å; I247-I303 HydrophobicContact CG2-CB 4.36Å; I247-I303 HydrophobicContact CG2-CG2 4.36Å; I247-N305 CarbonylContact O-C 3.57Å; I247-N305 WeakPolarHBondContact O-CA 3.48Å; I247-G306 PolarHBondContact N-O 3.31Å; I247-G306 PolarHBondContact O-N 2.92Å; I247-F308 HydrophobicContact CD1-CB 3.54Å; I247-F308 HydrophobicContact CD1-CD1 3.54Å; I247-F308 HydrophobicContact CD1-CD2 4.47Å; I247-F308 HydrophobicContact CD1-CE1 4.34Å; I247-F308 HydrophobicContact CD1-CG 3.63Å; I247-F308 HydrophobicContact CG1-CB 4Å
248Q95.4Very high96.2Very high15 Ų1529 Ų297%0.0715%0.149CC..EExtended strand (participates in β ladder)trans-141.8130.7166.3-173.9163.84500108.3D250 K251 L253 N305 A354 H357Q248-D250 VanDerWaalsContact C-N 3.29Å; Q248-D250 PolarHBondContact O-N 2.98Å; Q248-K251 PolarHBondContact N-O 2.61Å; Q248-K251 WeakPolarHBondContact O-CB 3.14Å; Q248-K251 PolarHBondContact O-N 2.69Å; Q248-L253 HydrophobicContact CB-CD1 3.68Å; Q248-L253 HydrophobicContact CB-CG 4.17Å; Q248-N305 WeakPolarHBondContact CA-OD1 3.42Å; Q248-A354 PolarHBondContact NE2-O 3.4Å; Q248-H357 PolarHBondContact NE2-O 3.28Å
249E93.2Very high96.3Very high134 Ų13429.8 Ų29.863%0.62614%0.143SC*.THydrogen-bonded Turntrans5346.3-177.6-59173.6179.700112.4K251 N305E249-K251 PolarHBondContact O-N 3.34Å; E249-N305 PolarHBondContact N-OD1 2.65Å
250D93Very high96.3Very high52 Ų5227.8 Ų27.828%0.27813%0.133SC..THydrogen-bonded Turntrans59.18.6-176.1-67.3-34.9000115.9Q248 S301 I303Q248-D250 VanDerWaalsContact C-N 3.29Å; Q248-D250 PolarHBondContact O-N 2.98Å; D250-S301 WeakPolarHBondContact OD2-CB 3.11Å; D250-S301 PolarHBondContact OD2-OG 2.92Å; D250-I303 WeakPolarHBondContact OD1-CB 3.48Å; D250-I303 PolarHBondContact OD1-N 3.47Å
251K93.9Very high96.3Very high131 Ų13130.3 Ų30.357%0.5715%0.145SC*.EExtended strand (participates in β ladder)trans-100.4134.3176.1-63.2170.5-171.1164.20110.9I247 Q248 E249 L253I247-K251 VanDerWaalsContact CA-O 3.25Å; I247-K251 WeakPolarHBondContact CA-O 3.45Å; Q248-K251 PolarHBondContact N-O 2.61Å; Q248-K251 WeakPolarHBondContact O-CB 3.14Å; Q248-K251 PolarHBondContact O-N 2.69Å; E249-K251 PolarHBondContact O-N 3.34Å; K251-L253 HydrophobicContact CB-CD2 4.46Å; K251-L253 PolarHBondContact O-N 2.78Å
252I95.2Very high96.2Very high61 Ų6133.2 Ų33.231%0.31316%0.156SC..EExtended strand (participates in β ladder)trans-73.2110.8170.4-55.1174.3000108.1M245 H254 R294 I297M245-I252 HydrophobicContact CB-CG2 4.47Å; M245-I252 HydrophobicContact CG-CG2 4.32Å; M245-I252 HydrophobicContact SD-CD1 4.03Å; M245-I252 HydrophobicContact SD-CG1 4.42Å; I252-H254 WeakPolarHBondContact CG2-O 3.26Å; I252-R294 HydrophobicContact CD1-CG 4.26Å; I252-I297 HydrophobicContact CD1-CD1 3.41Å; I252-I297 VanDerWaalsContact CD1-CD1 3.41Å; I252-I297 HydrophobicContact CG1-CD1 3.39Å
253L95Very high95.9Very high43 Ų4334.8 Ų34.823%0.22517%0.167CC..EExtended strand (participates in β ladder)trans-87.8-28174.3-57.9-171.1000112.3F246 Q248 K251 V359 F361 N363F246-L253 HydrophobicContact CD1-CB 4.42Å; F246-L253 HydrophobicContact CD1-CD1 4.33Å; F246-L253 PolarHBondContact O-N 3.14Å; Q248-L253 HydrophobicContact CB-CD1 3.68Å; Q248-L253 HydrophobicContact CB-CG 4.17Å; K251-L253 HydrophobicContact CB-CD2 4.46Å; K251-L253 PolarHBondContact O-N 2.78Å; L253-V359 HydrophobicContact CD1-CG2 3.94Å; L253-V359 WeakPolarHBondContact CD1-O 3.5Å; L253-F361 HydrophobicContact CB-CD2 3.71Å; L253-F361 HydrophobicContact CB-CE2 4.05Å; L253-F361 HydrophobicContact CD1-CD2 4.32Å; L253-F361 HydrophobicContact CD1-CE2 4.34Å; L253-N363 PolarHBondContact O-ND2 3.34Å
254H94.7Very high95.5Very high7 Ų735.7 Ų35.73%0.03217%0.171CC..EExtended strand (participates in β ladder)trans-150.6142.6177.7-17377.5000109.8M245 F246 I252 F361 N363M245-H254 CarbonylContact C-O 3.56Å; M245-H254 VanDerWaalsContact CA-O 3.29Å; M245-H254 WeakPolarHBondContact CA-O 3.24Å; F246-H254 HydrophobicContact CB-CB 3.98Å; F246-H254 PolarHBondContact N-O 3.49Å; F246-H254 PolarHBondContact O-N 2.65Å; I252-H254 WeakPolarHBondContact CG2-O 3.26Å; H254-F361 HydrophobicContact CB-CB 4.47Å; H254-F361 HydrophobicContact CB-CD1 3.72Å; H254-F361 HydrophobicContact CB-CD2 4.27Å; H254-F361 HydrophobicContact CB-CE1 3.96Å; H254-F361 HydrophobicContact CB-CG 3.89Å; H254-F361 HydrophobicContact CB-CZ 4.37Å; H254-F361 AromaticContact CG-CD1 3.96Å; H254-N363 PolarHBondContact ND1-OD1 3.38Å
255S95.2Very high95.1Very high25 Ų2535.7 Ų35.718%0.17518%0.175CC..EExtended strand (participates in β ladder)trans-146.9144.5175.4-1720000111.7I243 Y244I243-S255 WeakPolarHBondContact CG2-OG 3.47Å; Y244-S255 CarbonylContact O-C 3.48Å; Y244-S255 VanDerWaalsContact O-CA 3.26Å; Y244-S255 WeakPolarHBondContact O-CA 3.25Å
256K96Very high94.9Very high34 Ų3435.8 Ų35.815%0.14818%0.176CC..EExtended strand (participates in β ladder)trans-138.2127.9170.3-69.4-63.6-171.7176.10110.5Y244 F258 E278 Y335 M370Y244-K256 PolarHBondContact N-O 3.07Å; Y244-K256 PolarHBondContact O-N 3.26Å; K256-F258 HydrophobicContact CB-CD2 4.36Å; K256-F258 HydrophobicContact CB-CE2 3.55Å; K256-F258 HydrophobicContact CB-CZ 4.25Å; K256-E278 VanDerWaalsContact CD-OE1 3.27Å; K256-E278 WeakPolarHBondContact CD-OE1 3.2Å; K256-E278 WeakPolarHBondContact CE-OE1 3.44Å; K256-E278 IonicContact NZ-OE1 2.78Å; K256-E278 PolarHBondContact NZ-OE1 2.93Å; K256-Y335 HydrophobicContact CB-CE2 4.05Å; K256-Y335 HydrophobicContact CG-CE2 4.36Å; K256-M370 HydrophobicContact CD-CE 4.32Å; K256-M370 HydrophobicContact CG-CE 4.15Å
257T97.9Very high94.8Very high1 Ų135.9 Ų35.91%0.00618%0.176CC..EExtended strand (participates in β ladder)trans-103.4130.9-179-59.70000109.8F241 I243 E278 I279 L289F241-T257 HydrophobicContact CD1-CG2 4.24Å; I243-T257 HydrophobicContact CD1-CG2 4.5Å; I243-T257 HydrophobicContact CG1-CG2 3.99Å; T257-E278 WeakPolarHBondContact O-CA 3.48Å; T257-I279 HydrophobicContact CG2-CD1 3.59Å; T257-I279 HydrophobicContact CG2-CG1 3.7Å; T257-I279 PolarHBondContact O-N 3.13Å; T257-L289 HydrophobicContact CG2-CB 4.47Å; T257-L289 HydrophobicContact CG2-CD1 3.85Å
258F98.3Very high94.6Very high0 Ų037.1 Ų37.10%018%0.184CC..EExtended strand (participates in β ladder)trans-124.7133.6-179.4-67.4-98.9000110.7F241 T242 Y244 K256 K276 L277 E278 Y335 M370 F372F241-F258 CarbonylContact C-O 3.52Å; F241-F258 VanDerWaalsContact CA-O 3.25Å; F241-F258 WeakPolarHBondContact CA-O 3.41Å; F241-F258 WeakPolarHBondContact CD1-O 3.35Å; T242-F258 PolarHBondContact N-O 2.87Å; T242-F258 PolarHBondContact O-N 2.95Å; Y244-F258 AromaticContact CD2-CD2 3.53Å; Y244-F258 HydrophobicContact CD2-CD2 3.53Å; Y244-F258 AromaticContact CD2-CE2 3.58Å; Y244-F258 HydrophobicContact CD2-CE2 3.58Å; Y244-F258 AromaticContact CE2-CD2 3.7Å; Y244-F258 HydrophobicContact CE2-CD2 3.7Å; Y244-F258 AromaticContact CE2-CE2 3.97Å; Y244-F258 HydrophobicContact CE2-CE2 3.97Å; Y244-F258 HydrophobicContact CE2-CG 4.37Å; K256-F258 HydrophobicContact CB-CD2 4.36Å; K256-F258 HydrophobicContact CB-CE2 3.55Å; K256-F258 HydrophobicContact CB-CZ 4.25Å; F258-K276 HydrophobicContact CB-CB 4.17Å; F258-K276 HydrophobicContact CB-CD 4.4Å; F258-K276 HydrophobicContact CD1-CB 3.98Å; F258-K276 HydrophobicContact CG-CB 4.39Å; F258-L277 CarbonylContact C-O 3.58Å; F258-L277 WeakPolarHBondContact CA-O 3.43Å; F258-E278 HydrophobicContact CD1-CB 3.97Å; F258-E278 HydrophobicContact CE1-CB 3.62Å; F258-E278 HydrophobicContact CE1-CG 4.46Å; F258-E278 HydrophobicContact CZ-CB 4.1Å; F258-E278 HydrophobicContact CZ-CG 4.48Å; F258-Y335 AromaticContact CE2-CD2 3.61Å; F258-Y335 HydrophobicContact CE2-CD2 3.61Å; F258-Y335 AromaticContact CE2-CE2 3.57Å; F258-Y335 HydrophobicContact CE2-CE2 3.57Å; F258-Y335 AromaticContact CZ-CD2 3.62Å; F258-Y335 HydrophobicContact CZ-CD2 3.62Å; F258-Y335 AromaticContact CZ-CE2 3.78Å; F258-Y335 HydrophobicContact CZ-CE2 3.78Å; F258-M370 HydrophobicContact CE1-CB 4.17Å; F258-M370 HydrophobicContact CZ-CB 4.41Å; F258-M370 HydrophobicContact CZ-CE 4.02Å; F258-F372 AromaticContact CD1-CE1 3.92Å; F258-F372 HydrophobicContact CD1-CE1 3.92Å; F258-F372 HydrophobicContact CD1-CZ 4.34Å; F258-F372 HydrophobicContact CE1-CD1 4.24Å; F258-F372 AromaticContact CE1-CE1 3.51Å; F258-F372 HydrophobicContact CE1-CE1 3.51Å; F258-F372 HydrophobicContact CE1-CZ 4.32Å; F258-F372 AromaticContact CZ-CE1 3.97Å; F258-F372 HydrophobicContact CZ-CE1 3.97Å
259K98.2Very high94.3Very high50 Ų5038.4 Ų38.422%0.21719%0.192CC..EExtended strand (participates in β ladder)trans-79.8131.3161.9179.9175.9167.3171.30108.9E239 F241 K276 L277 I279E239-K259 VanDerWaalsContact OE1-CE 3.24Å; E239-K259 WeakPolarHBondContact OE1-CE 3.44Å; E239-K259 IonicContact OE1-NZ 3.21Å; E239-K259 PolarHBondContact OE1-NZ 2.8Å; F241-K259 HydrophobicContact CD1-CB 4.1Å; F241-K259 HydrophobicContact CE1-CB 3.65Å; F241-K259 HydrophobicContact CE1-CG 4.13Å; F241-K259 HydrophobicContact CZ-CB 4.3Å; F241-K259 HydrophobicContact CZ-CG 4.3Å; K259-K276 WeakPolarHBondContact O-CA 3.34Å; K259-L277 PolarHBondContact N-O 3.28Å; K259-L277 PolarHBondContact O-N 3.44Å; K259-I279 HydrophobicContact CB-CG2 4.1Å
260N97.6Very high94.3Very high4 Ų435.8 Ų35.82%0.02118%0.183CC..EExtended strand (participates in β ladder)trans-93.3128168.8-58.6-10.1000108.8E240 T242 Y262 C275 K276E240-N260 HydrophobicContact CB-CB 4.1Å; E240-N260 VanDerWaalsContact CD-ND2 3.29Å; E240-N260 HydrophobicContact CG-CB 4.35Å; E240-N260 WeakPolarHBondContact O-CB 3.35Å; E240-N260 PolarHBondContact O-N 3.26Å; E240-N260 PolarHBondContact OE2-ND2 3.16Å; T242-N260 PolarHBondContact OG1-ND2 3.04Å; T242-N260 PolarHBondContact OG1-OD1 2.82Å; N260-Y262 VanDerWaalsContact C-N 3.33Å; N260-Y262 PolarHBondContact O-N 2.82Å; N260-C275 VanDerWaalsContact CA-O 3.28Å; N260-C275 WeakPolarHBondContact CA-O 3.32Å; N260-K276 WeakPolarHBondContact OD1-CD 3.42Å; N260-K276 WeakPolarHBondContact OD1-CE 3.29Å; N260-K276 WeakPolarHBondContact OD1-CG 3.26Å
261E97.6Very high94.4Very high66 Ų6639.2 Ų39.231%0.30819%0.192SC..SBendtrans-61.7-44.7178.9-16957.1-155.900112.3C275 Y438 V442E261-C275 HydrophobicContact CB-CB 3.74Å; E261-C275 PolarHBondContact N-O 2.92Å; E261-C275 VanDerWaalsContact N-O 3.07Å; E261-Y438 VanDerWaalsContact CB-OH 3.32Å; E261-Y438 WeakPolarHBondContact CB-OH 3.5Å; E261-Y438 PolarHBondContact OE2-OH 3.42Å; E261-V442 HydrophobicContact CG-CG1 3.76Å; E261-V442 HydrophobicContact CG-CG2 4.19Å
262Y95.3Very high94.4Very high60 Ų6035.7 Ų35.724%0.23518%0.179CC..SBendtrans-124.4145.5-178.4-52.2-62.8000108N260 I264 L272 P273 V442N260-Y262 VanDerWaalsContact C-N 3.33Å; N260-Y262 PolarHBondContact O-N 2.82Å; Y262-I264 PolarHBondContact O-N 2.64Å; Y262-L272 HydrophobicContact CD1-CD1 3.78Å; Y262-L272 HydrophobicContact CD2-CB 3.9Å; Y262-L272 HydrophobicContact CD2-CD1 4.31Å; Y262-L272 HydrophobicContact CE1-CD1 4.01Å; Y262-L272 HydrophobicContact CE2-CB 4.26Å; Y262-L272 HydrophobicContact CE2-CD1 4.5Å; Y262-L272 HydrophobicContact CG-CB 4.19Å; Y262-L272 HydrophobicContact CG-CD1 3.93Å; Y262-P273 HydrophobicContact CD2-CG 4.44Å; Y262-P273 WeakPolarHBondContact CD2-O 3.16Å; Y262-P273 HydrophobicContact CE2-CG 4.08Å; Y262-V442 HydrophobicContact CE2-CG1 4.42Å; Y262-V442 WeakPolarHBondContact OH-CG1 3.49Å
263P92.7Very high94.5Very high34 Ų3433.5 Ų33.522%0.22117%0.169CC..  trans-47.8133.5167.3-28.636.6000110.5E240 G265 S266 F313E240-P263 WeakPolarHBondContact OE2-CA 3.5Å; P263-G265 PolarHBondContact O-N 2.9Å; P263-S266 VanDerWaalsContact O-CB 3.25Å; P263-S266 WeakPolarHBondContact O-CB 3.45Å; P263-S266 PolarHBondContact O-N 2.77Å; P263-F313 HydrophobicContact CB-CZ 4.22Å; P263-F313 HydrophobicContact CG-CE1 4.23Å; P263-F313 HydrophobicContact CG-CZ 4.16Å
264I90.2Very high94.6Very high18 Ų1831.9 Ų31.99%0.09216%0.161CC..THydrogen-bonded Turntrans-54.4-29.5-176.9-74.7170.9000112.5E240 Y262 S266 F267 L415E240-I264 PolarHBondContact OE2-N 2.99Å; Y262-I264 PolarHBondContact O-N 2.64Å; I264-S266 VanDerWaalsContact C-N 3.27Å; I264-S266 PolarHBondContact O-N 2.94Å; I264-F267 WeakPolarHBondContact O-CB 3.35Å; I264-F267 PolarHBondContact O-N 3.45Å; I264-L415 HydrophobicContact CG2-CD1 3.32Å; I264-L415 HydrophobicContact CG2-CD2 4.13Å; I264-L415 HydrophobicContact CG2-CG 4.34Å
265G88.7Confident94.8Very high10 Ų1031.6 Ų31.610%0.10316%0.159CC..THydrogen-bonded Turntrans-59.6-31173.700000114.7P263 F267 V268 T269P263-G265 PolarHBondContact O-N 2.9Å; G265-F267 PolarHBondContact O-N 3.39Å; G265-F267 VanDerWaalsContact O-N 3.12Å; G265-V268 PolarHBondContact O-N 3.1Å; G265-T269 PolarHBondContact O-N 3.35Å; G265-T269 VanDerWaalsContact O-N 3.17Å; G265-T269 PolarHBondContact O-OG1 2.93Å
266S92.8Very high94.9Very high7 Ų730.7 Ų30.75%0.04915%0.152CC..Hα-helixtrans-63.1-17.9179.9-69.80000113.9P263 I264 V268 T269 D270 R271 L272P263-S266 VanDerWaalsContact O-CB 3.25Å; P263-S266 WeakPolarHBondContact O-CB 3.45Å; P263-S266 PolarHBondContact O-N 2.77Å; I264-S266 VanDerWaalsContact C-N 3.27Å; I264-S266 PolarHBondContact O-N 2.94Å; S266-V268 PolarHBondContact O-N 2.91Å; S266-T269 WeakPolarHBondContact CA-OG1 3.18Å; S266-D270 WeakPolarHBondContact CA-OD2 3.39Å; S266-D270 WeakPolarHBondContact CB-OD2 3.48Å; S266-D270 CarbonylContact O-C 3.56Å; S266-D270 WeakPolarHBondContact O-CA 3.42Å; S266-D270 PolarHBondContact O-N 2.82Å; S266-D270 PolarHBondContact OG-OD2 2.61Å; S266-R271 PolarHBondContact O-N 2.9Å; S266-L272 PolarHBondContact O-N 3.25Å; S266-L272 VanDerWaalsContact O-N 3.13Å
267F94.3Very high95Very high1 Ų129.7 Ų29.70%0.00415%0.149CC..Hα-helixtrans-59.7-35.7169.4-175.5-87.2000112.9I264 G265 L272 V274 R374 P376 P412 L415 H419I264-F267 WeakPolarHBondContact O-CB 3.35Å; I264-F267 PolarHBondContact O-N 3.45Å; G265-F267 PolarHBondContact O-N 3.39Å; G265-F267 VanDerWaalsContact O-N 3.12Å; F267-L272 WeakPolarHBondContact CA-O 3.47Å; F267-V274 HydrophobicContact CB-CG2 3.91Å; F267-V274 HydrophobicContact CD2-CG2 3.82Å; F267-V274 HydrophobicContact CG-CG2 4.12Å; F267-R374 HydrophobicContact CE2-CB 4.39Å; F267-R374 WeakPolarHBondContact CE2-O 3.35Å; F267-P376 HydrophobicContact CD1-CB 4.33Å; F267-P376 HydrophobicContact CD2-CB 3.92Å; F267-P376 HydrophobicContact CD2-CG 4.15Å; F267-P376 HydrophobicContact CE1-CB 3.98Å; F267-P376 VanDerWaalsContact CE2-CA 3.49Å; F267-P376 HydrophobicContact CE2-CB 3.54Å; F267-P376 HydrophobicContact CE2-CG 4.1Å; F267-P376 HydrophobicContact CG-CB 4.33Å; F267-P376 HydrophobicContact CZ-CB 3.58Å; F267-P412 HydrophobicContact CD1-CB 3.96Å; F267-P412 HydrophobicContact CD1-CG 4.41Å; F267-P412 HydrophobicContact CE1-CB 3.62Å; F267-P412 HydrophobicContact CE1-CG 4.38Å; F267-P412 WeakPolarHBondContact O-CG 3.29Å; F267-L415 HydrophobicContact CB-CD2 3.65Å; F267-L415 HydrophobicContact CD1-CD2 3.61Å; F267-L415 HydrophobicContact CD2-CD2 4.36Å; F267-L415 HydrophobicContact CE1-CD2 4.31Å; F267-L415 HydrophobicContact CG-CD2 3.62Å; F267-H419 HydrophobicContact CE1-CB 4.11Å; F267-H419 WeakPolarHBondContact CZ-O 3.28Å
268V91.6Very high95.1Very high27 Ų2729.9 Ų29.916%0.16415%0.149CC..Hα-helixtrans-92.8-48.2-179.7-178.50000110.7G265 S266G265-V268 PolarHBondContact O-N 3.1Å; S266-V268 PolarHBondContact O-N 2.91Å
269T89.9Confident95Very high41 Ų4130 Ų3025%0.25215%0.15SC..Hα-helixtrans-73.1-44.5-173.253.20000112.2G265 S266G265-T269 PolarHBondContact O-N 3.35Å; G265-T269 VanDerWaalsContact O-N 3.17Å; G265-T269 PolarHBondContact O-OG1 2.93Å; S266-T269 WeakPolarHBondContact CA-OG1 3.18Å
270D92.2Very high94.9Very high79 Ų7928.4 Ų28.442%0.42214%0.144SC..THydrogen-bonded Turntrans-111.8-4.3-168.9-48.1-47.5000112.4S266 L272S266-D270 WeakPolarHBondContact CA-OD2 3.39Å; S266-D270 WeakPolarHBondContact CB-OD2 3.48Å; S266-D270 CarbonylContact O-C 3.56Å; S266-D270 WeakPolarHBondContact O-CA 3.42Å; S266-D270 PolarHBondContact O-N 2.82Å; S266-D270 PolarHBondContact OG-OD2 2.61Å; D270-L272 HydrophobicContact CB-CD1 3.93Å; D270-L272 HydrophobicContact CB-CG 3.84Å; D270-L272 PolarHBondContact O-N 2.75Å
271R94.2Very high94.8Very high124 Ų12434.5 Ų34.547%0.46817%0.173SC..  trans57.234.1-177-46.8169-156.2168.57.4111.6S266 P376S266-R271 PolarHBondContact O-N 2.9Å; R271-P376 VanDerWaalsContact C-CG 3.42Å; R271-P376 HydrophobicContact CB-CG 4.26Å; R271-P376 WeakPolarHBondContact O-CG 3.1Å
272L95.9Very high94.8Very high57 Ų5739 Ų3930%0.29819%0.194SC..  trans-87.1151174.6-65.4178000110.8Y262 S266 F267 D270Y262-L272 HydrophobicContact CD1-CD1 3.78Å; Y262-L272 HydrophobicContact CD2-CB 3.9Å; Y262-L272 HydrophobicContact CD2-CD1 4.31Å; Y262-L272 HydrophobicContact CE1-CD1 4.01Å; Y262-L272 HydrophobicContact CE2-CB 4.26Å; Y262-L272 HydrophobicContact CE2-CD1 4.5Å; Y262-L272 HydrophobicContact CG-CB 4.19Å; Y262-L272 HydrophobicContact CG-CD1 3.93Å; S266-L272 PolarHBondContact O-N 3.25Å; S266-L272 VanDerWaalsContact O-N 3.13Å; F267-L272 WeakPolarHBondContact CA-O 3.47Å; D270-L272 HydrophobicContact CB-CD1 3.93Å; D270-L272 HydrophobicContact CB-CG 3.84Å; D270-L272 PolarHBondContact O-N 2.75Å
273P97Very high94.8Very high15 Ų1537.4 Ų37.410%0.09719%0.19CC..  trans-64147.4175.626.2-33.5000111.8Y262 C275 R374 Y375Y262-P273 HydrophobicContact CD2-CG 4.44Å; Y262-P273 WeakPolarHBondContact CD2-O 3.16Å; Y262-P273 HydrophobicContact CE2-CG 4.08Å; P273-C275 VanDerWaalsContact CB-SG 3.57Å; P273-C275 WeakPolarHBondContact CG-SG 3.27Å; P273-C275 PolarHBondContact O-N 2.9Å; P273-R374 CarbonylContact C-O 3.58Å; P273-R374 VanDerWaalsContact CA-O 3.23Å; P273-R374 WeakPolarHBondContact CA-O 3.28Å; P273-Y375 HydrophobicContact CB-CD1 3.77Å; P273-Y375 HydrophobicContact CB-CD2 4.41Å; P273-Y375 HydrophobicContact CB-CE1 3.84Å; P273-Y375 HydrophobicContact CB-CE2 4.46Å; P273-Y375 HydrophobicContact CB-CG 4.05Å; P273-Y375 HydrophobicContact CG-CD1 4.1Å; P273-Y375 HydrophobicContact CG-CE1 3.81Å
274V96.8Very high94.9Very high10 Ų1039.8 Ų39.86%0.06122%0.22CC..EExtended strand (participates in β ladder)trans-76.1114.2158.7176.20000106.5F267 K276 F373 R374 L415F267-V274 HydrophobicContact CB-CG2 3.91Å; F267-V274 HydrophobicContact CD2-CG2 3.82Å; F267-V274 HydrophobicContact CG-CG2 4.12Å; V274-K276 HydrophobicContact CG1-CG 4.34Å; V274-F373 CarbonylContact O-C 3.56Å; V274-F373 VanDerWaalsContact O-CA 3.25Å; V274-F373 WeakPolarHBondContact O-CA 3.48Å; V274-R374 HydrophobicContact CB-CB 4.24Å; V274-R374 PolarHBondContact N-O 2.73Å; V274-R374 PolarHBondContact O-N 3.23Å; V274-L415 HydrophobicContact CG2-CD2 3.85Å
275C97.8Very high95.2Very high0 Ų041.3 Ų41.30%022%0.224CC..EExtended strand (participates in β ladder)trans-119.2128.1178.1-50.80000108.6N260 E261 P273 F372 F373 Y438 V442N260-C275 VanDerWaalsContact CA-O 3.28Å; N260-C275 WeakPolarHBondContact CA-O 3.32Å; E261-C275 HydrophobicContact CB-CB 3.74Å; E261-C275 PolarHBondContact N-O 2.92Å; E261-C275 VanDerWaalsContact N-O 3.07Å; P273-C275 VanDerWaalsContact CB-SG 3.57Å; P273-C275 WeakPolarHBondContact CG-SG 3.27Å; P273-C275 PolarHBondContact O-N 2.9Å; C275-F372 WeakPolarHBondContact CA-O 3.22Å; C275-F373 HydrophobicContact CB-CD1 4.01Å; C275-F373 HydrophobicContact CB-CE1 4.06Å; C275-F373 VanDerWaalsContact SG-CD1 3.55Å; C275-Y438 HydrophobicContact CB-CE2 3.96Å; C275-V442 HydrophobicContact CB-CG2 4.3Å
276K98.3Very high95.6Very high7 Ų742 Ų423%0.0322%0.224CC..EExtended strand (participates in β ladder)trans-128.3129.4175.5-57.4-153.4179-165.90109.8T242 Y244 F258 K259 N260 V274 A371 F372T242-K276 PolarHBondContact OG1-NZ 3.46Å; Y244-K276 PolarHBondContact OH-NZ 2.75Å; F258-K276 HydrophobicContact CB-CB 4.17Å; F258-K276 HydrophobicContact CB-CD 4.4Å; F258-K276 HydrophobicContact CD1-CB 3.98Å; F258-K276 HydrophobicContact CG-CB 4.39Å; K259-K276 WeakPolarHBondContact O-CA 3.34Å; N260-K276 WeakPolarHBondContact OD1-CD 3.42Å; N260-K276 WeakPolarHBondContact OD1-CE 3.29Å; N260-K276 WeakPolarHBondContact OD1-CG 3.26Å; V274-K276 HydrophobicContact CG1-CG 4.34Å; K276-A371 CarbonylContact O-C 3.55Å; K276-A371 WeakPolarHBondContact O-CA 3.11Å; K276-A371 WeakPolarHBondContact O-CB 3.39Å; K276-F372 HydrophobicContact CB-CD2 4.04Å; K276-F372 HydrophobicContact CB-CE1 4.14Å; K276-F372 HydrophobicContact CB-CE2 3.58Å; K276-F372 HydrophobicContact CB-CZ 3.63Å; K276-F372 HydrophobicContact CD-CE2 3.54Å; K276-F372 HydrophobicContact CD-CZ 3.62Å; K276-F372 HydrophobicContact CG-CD2 4.25Å; K276-F372 HydrophobicContact CG-CE2 3.57Å; K276-F372 HydrophobicContact CG-CZ 3.94Å; K276-F372 PolarHBondContact N-O 3.45Å; K276-F372 PolarHBondContact O-N 3.06Å
277L98.6Very high95.8Very high13 Ų1347.4 Ų47.47%0.06825%0.253CS..EExtended strand (participates in β ladder)trans-116.4121.6175.517662.9000108.5F258 K259 I279 A371 Y431 L434 V435 Y438F258-L277 CarbonylContact C-O 3.58Å; F258-L277 WeakPolarHBondContact CA-O 3.43Å; K259-L277 PolarHBondContact N-O 3.28Å; K259-L277 PolarHBondContact O-N 3.44Å; L277-I279 PolarHBondContact O-N 2.98Å; L277-A371 HydrophobicContact CD1-CB 3.95Å; L277-Y431 HydrophobicContact CD1-CE2 4.17Å; L277-Y431 HydrophobicContact CG-CE2 4.38Å; L277-L434 HydrophobicContact CD1-CD2 3.78Å; L277-L434 HydrophobicContact CD1-CG 4.03Å; L277-V435 HydrophobicContact CD2-CG2 4.05Å; L277-Y438 HydrophobicContact CB-CD2 4.01Å; L277-Y438 HydrophobicContact CB-CE1 4.31Å; L277-Y438 HydrophobicContact CB-CE2 3.7Å; L277-Y438 HydrophobicContact CB-CG 4.45Å; L277-Y438 HydrophobicContact CD1-CD2 4.29Å; L277-Y438 HydrophobicContact CD1-CG 4.34Å; L277-Y438 HydrophobicContact CD2-CD1 4.17Å; L277-Y438 HydrophobicContact CD2-CE1 4.3Å; L277-Y438 HydrophobicContact CD2-CG 4.4Å
278E98.2Very high95.9Very high4 Ų451.2 Ų51.22%0.01927%0.271CS..EExtended strand (participates in β ladder)trans-59.9133.3170.4-178.1178.5167.500109.2K256 T257 F258 F369 M370 Y431K256-E278 VanDerWaalsContact CD-OE1 3.27Å; K256-E278 WeakPolarHBondContact CD-OE1 3.2Å; K256-E278 WeakPolarHBondContact CE-OE1 3.44Å; K256-E278 IonicContact NZ-OE1 2.78Å; K256-E278 PolarHBondContact NZ-OE1 2.93Å; T257-E278 WeakPolarHBondContact O-CA 3.48Å; F258-E278 HydrophobicContact CD1-CB 3.97Å; F258-E278 HydrophobicContact CE1-CB 3.62Å; F258-E278 HydrophobicContact CE1-CG 4.46Å; F258-E278 HydrophobicContact CZ-CB 4.1Å; F258-E278 HydrophobicContact CZ-CG 4.48Å; E278-F369 HydrophobicContact CG-CD1 4.43Å; E278-M370 WeakPolarHBondContact CB-O 3.06Å; E278-M370 PolarHBondContact N-O 3.36Å; E278-M370 WeakPolarHBondContact OE2-CE 3.35Å; E278-M370 PolarHBondContact OE2-N 3.04Å; E278-Y431 WeakPolarHBondContact O-CE2 3.5Å
279I97.7Very high96.2Very high4 Ų449.9 Ų49.92%0.02126%0.263CS..PPolyproline II helixtrans-99.9140171.764.8170.1000110.1F241 T257 K259 L277 D283 Y286 L289F241-I279 HydrophobicContact CD1-CD1 4.49Å; F241-I279 HydrophobicContact CE1-CD1 4.03Å; T257-I279 HydrophobicContact CG2-CD1 3.59Å; T257-I279 HydrophobicContact CG2-CG1 3.7Å; T257-I279 PolarHBondContact O-N 3.13Å; K259-I279 HydrophobicContact CB-CG2 4.1Å; L277-I279 PolarHBondContact O-N 2.98Å; I279-D283 HydrophobicContact CB-CB 4.04Å; I279-D283 HydrophobicContact CD1-CB 4.19Å; I279-D283 HydrophobicContact CG1-CB 4.48Å; I279-Y286 HydrophobicContact CD1-CD2 4.36Å; I279-Y286 HydrophobicContact CG1-CD2 4.26Å; I279-L289 HydrophobicContact CD1-CD1 3.75Å
280P96.5Very high96.5Very high15 Ų1548.7 Ų48.710%0.09726%0.255CS..PPolyproline II helixtrans-74.116617732.7-37.4000111.5Q282 D283 Y286 F369 Y431P280-Q282 PolarHBondContact O-N 3.35Å; P280-D283 HydrophobicContact CG-CB 4.37Å; P280-D283 VanDerWaalsContact O-CB 3.28Å; P280-D283 WeakPolarHBondContact O-CB 3.32Å; P280-D283 PolarHBondContact O-N 3.12Å; P280-Y286 WeakPolarHBondContact O-CD2 3.38Å; P280-F369 HydrophobicContact CB-CE1 3.77Å; P280-F369 HydrophobicContact CB-CZ 4.11Å; P280-Y431 HydrophobicContact CG-CD1 3.98Å; P280-Y431 HydrophobicContact CG-CE1 3.84Å; P280-Y431 HydrophobicContact CG-CE2 4.47Å; P280-Y431 HydrophobicContact CG-CG 4.31Å
281E95.3Very high96.7Very high132 Ų13246.7 Ų46.762%0.61725%0.25SC*.THydrogen-bonded Turntrans-63.7-24.5176.9-52.8-168.5165.800112.5D283 Y286E281-D283 VanDerWaalsContact C-N 3.26Å; E281-D283 PolarHBondContact O-N 3.36Å; E281-Y286 HydrophobicContact CB-CD1 4.03Å; E281-Y286 HydrophobicContact CB-CE1 3.85Å; E281-Y286 HydrophobicContact CB-CG 4.46Å; E281-Y286 HydrophobicContact CG-CD1 4.36Å; E281-Y286 HydrophobicContact CG-CE1 3.7Å; E281-Y286 HydrophobicContact CG-CE2 4.15Å
282Q95.9Very high96.9Very high160 Ų16041.2 Ų41.275%0.74823%0.229SC*.THydrogen-bonded Turntrans-77.6-7.4176.9-61.377.315.200113.2P280 G284P280-Q282 PolarHBondContact O-N 3.35Å; Q282-G284 PolarHBondContact O-N 2.95Å
283D96.4Very high97Very high28 Ų2838.6 Ų38.615%0.1522%0.216CC..SBendtrans-66.5129.7173.7-172.3-67.2000109.8I279 P280 E281 R285 Y286I279-D283 HydrophobicContact CB-CB 4.04Å; I279-D283 HydrophobicContact CD1-CB 4.19Å; I279-D283 HydrophobicContact CG1-CB 4.48Å; P280-D283 HydrophobicContact CG-CB 4.37Å; P280-D283 VanDerWaalsContact O-CB 3.28Å; P280-D283 WeakPolarHBondContact O-CB 3.32Å; P280-D283 PolarHBondContact O-N 3.12Å; E281-D283 VanDerWaalsContact C-N 3.26Å; E281-D283 PolarHBondContact O-N 3.36Å; D283-R285 PolarHBondContact O-N 3.07Å; D283-R285 WeakPolarHBondContact OD1-CB 3.48Å; D283-R285 IonicContact OD1-CZ 2.86Å; D283-R285 PolarHBondContact OD1-N 2.99Å; D283-R285 IonicContact OD1-NE 2.75Å; D283-R285 PolarHBondContact OD1-NE 3.33Å; D283-R285 IonicContact OD1-NH2 3.73Å; D283-R285 PolarHBondContact OD1-NH2 3.17Å; D283-R285 IonicContact OD2-CZ 3.96Å; D283-R285 IonicContact OD2-NE 2.77Å; D283-R285 IonicContact OD2-NH2 3.53Å; D283-R285 PolarHBondContact OD2-NH2 3.37Å; D283-Y286 WeakPolarHBondContact O-CB 3.5Å; D283-Y286 PolarHBondContact O-N 2.87Å
284G95Very high97Very high83 Ų8344.3 Ų44.386%0.85624%0.235SC*.THydrogen-bonded Turntrans-59.4-14.2-174.800000115.2Q282Q282-G284 PolarHBondContact O-N 2.95Å
285R96.4Very high97.1Very high50 Ų5050.4 Ų50.419%0.18926%0.257CS..THydrogen-bonded Turntrans-93.1-14.9176.6-60.2163-68.3-165.4-3.3113E239 D283 D287 M288 L289 F314E239-R285 IonicContact OE1-NH1 2.65Å; E239-R285 PolarHBondContact OE1-NH1 3.42Å; E239-R285 IonicContact OE2-CZ 3.78Å; E239-R285 IonicContact OE2-NH1 3.4Å; E239-R285 PolarHBondContact OE2-NH1 3.22Å; D283-R285 PolarHBondContact O-N 3.07Å; D283-R285 WeakPolarHBondContact OD1-CB 3.48Å; D283-R285 IonicContact OD1-CZ 2.86Å; D283-R285 PolarHBondContact OD1-N 2.99Å; D283-R285 IonicContact OD1-NE 2.75Å; D283-R285 PolarHBondContact OD1-NE 3.33Å; D283-R285 IonicContact OD1-NH2 3.73Å; D283-R285 PolarHBondContact OD1-NH2 3.17Å; D283-R285 IonicContact OD2-CZ 3.96Å; D283-R285 IonicContact OD2-NE 2.77Å; D283-R285 IonicContact OD2-NH2 3.53Å; D283-R285 PolarHBondContact OD2-NH2 3.37Å; R285-D287 PolarHBondContact O-N 2.86Å; R285-M288 PolarHBondContact O-N 3.02Å; R285-L289 HydrophobicContact CB-CD1 3.9Å; R285-L289 HydrophobicContact CB-CG 4.36Å; R285-L289 WeakPolarHBondContact O-CB 3.19Å; R285-L289 VanDerWaalsContact O-CG 3.22Å; R285-L289 WeakPolarHBondContact O-CG 3.16Å; R285-L289 PolarHBondContact O-N 2.93Å; R285-F314 HydrophobicContact CG-CD1 4.17Å; R285-F314 HydrophobicContact CG-CE1 3.77Å
286Y96.9Very high97.1Very high26 Ų2650.4 Ų50.410%0.10226%0.257CS..Hα-helixtrans-57.5-49.5-167.8-174.8-95.6000112.9I279 P280 E281 D283 M288 L289 N290I279-Y286 HydrophobicContact CD1-CD2 4.36Å; I279-Y286 HydrophobicContact CG1-CD2 4.26Å; P280-Y286 WeakPolarHBondContact O-CD2 3.38Å; E281-Y286 HydrophobicContact CB-CD1 4.03Å; E281-Y286 HydrophobicContact CB-CE1 3.85Å; E281-Y286 HydrophobicContact CB-CG 4.46Å; E281-Y286 HydrophobicContact CG-CD1 4.36Å; E281-Y286 HydrophobicContact CG-CE1 3.7Å; E281-Y286 HydrophobicContact CG-CE2 4.15Å; D283-Y286 WeakPolarHBondContact O-CB 3.5Å; D283-Y286 PolarHBondContact O-N 2.87Å; Y286-M288 PolarHBondContact O-N 2.93Å; Y286-L289 PolarHBondContact O-N 3.18Å; Y286-N290 WeakPolarHBondContact CD1-ND2 3.34Å; Y286-N290 WeakPolarHBondContact CE1-ND2 3.25Å; Y286-N290 WeakPolarHBondContact O-CB 3.42Å; Y286-N290 PolarHBondContact O-N 2.9Å; Y286-N290 PolarHBondContact OH-ND2 3.15Å
287D96.3Very high97Very high120 Ų12050.7 Ų50.764%0.64226%0.259SS*.Hα-helixtrans-64.4-41.1-178.1-77.1-23.7000112.8R285 N290 A291R285-D287 PolarHBondContact O-N 2.86Å; D287-N290 PolarHBondContact O-N 2.93Å; D287-A291 VanDerWaalsContact O-CB 3.26Å; D287-A291 WeakPolarHBondContact O-CB 3.24Å; D287-A291 PolarHBondContact O-N 2.92Å
288M96.9Very high96.9Very high80 Ų8053.6 Ų53.639%0.39429%0.285SS..Hα-helixtrans-63.1-47.2176.8-177.262.374.800111.1R285 Y286 N290 A291 F292 F314R285-M288 PolarHBondContact O-N 3.02Å; Y286-M288 PolarHBondContact O-N 2.93Å; M288-N290 VanDerWaalsContact C-N 3.35Å; M288-N290 PolarHBondContact O-N 3.14Å; M288-A291 PolarHBondContact O-N 3.06Å; M288-F292 PolarHBondContact O-N 3.29Å; M288-F314 HydrophobicContact CG-CE2 4.03Å
289L98.3Very high96.8Very high0 Ų054.3 Ų54.30%029%0.292CS..Hα-helixtrans-61.4-43178.2-69.8171.3000111.5F241 I243 T257 I279 R285 Y286 F292 A293 L312 F314F241-L289 HydrophobicContact CB-CD2 4.24Å; F241-L289 HydrophobicContact CD1-CD1 3.57Å; F241-L289 HydrophobicContact CD1-CD2 4.5Å; F241-L289 HydrophobicContact CD2-CD1 4.24Å; F241-L289 HydrophobicContact CD2-CD2 3.95Å; F241-L289 HydrophobicContact CE1-CD1 3.65Å; F241-L289 HydrophobicContact CE2-CD1 4.28Å; F241-L289 HydrophobicContact CE2-CD2 4.44Å; F241-L289 HydrophobicContact CG-CD1 3.9Å; F241-L289 HydrophobicContact CG-CD2 3.98Å; F241-L289 HydrophobicContact CZ-CD1 4.01Å; I243-L289 HydrophobicContact CD1-CB 4.07Å; I243-L289 WeakPolarHBondContact CD1-O 3.23Å; T257-L289 HydrophobicContact CG2-CB 4.47Å; T257-L289 HydrophobicContact CG2-CD1 3.85Å; I279-L289 HydrophobicContact CD1-CD1 3.75Å; R285-L289 HydrophobicContact CB-CD1 3.9Å; R285-L289 HydrophobicContact CB-CG 4.36Å; R285-L289 WeakPolarHBondContact O-CB 3.19Å; R285-L289 VanDerWaalsContact O-CG 3.22Å; R285-L289 WeakPolarHBondContact O-CG 3.16Å; R285-L289 PolarHBondContact O-N 2.93Å; Y286-L289 PolarHBondContact O-N 3.18Å; L289-F292 PolarHBondContact O-N 2.91Å; L289-A293 PolarHBondContact O-N 3.25Å; L289-L312 HydrophobicContact CD2-CD1 3.64Å; L289-L312 HydrophobicContact CD2-CD2 4.34Å; L289-F314 HydrophobicContact CD2-CB 4.23Å
290N96.6Very high96.7Very high15 Ų1554.1 Ų54.18%0.0829%0.291CS..Hα-helixtrans-71.2-36177.2-85.9-21.4000113.4Y286 D287 M288 F292 A293 R294Y286-N290 WeakPolarHBondContact CD1-ND2 3.34Å; Y286-N290 WeakPolarHBondContact CE1-ND2 3.25Å; Y286-N290 WeakPolarHBondContact O-CB 3.42Å; Y286-N290 PolarHBondContact O-N 2.9Å; Y286-N290 PolarHBondContact OH-ND2 3.15Å; D287-N290 PolarHBondContact O-N 2.93Å; M288-N290 VanDerWaalsContact C-N 3.35Å; M288-N290 PolarHBondContact O-N 3.14Å; N290-F292 VanDerWaalsContact C-N 3.3Å; N290-A293 PolarHBondContact O-N 2.98Å; N290-R294 WeakPolarHBondContact O-CG 3.44Å; N290-R294 PolarHBondContact O-N 2.92Å
291A96.8Very high96.7Very high37 Ų3755.9 Ų55.931%0.30630%0.303SS..Hα-helixtrans-62.1-42172.200000110.8D287 M288 R294 R295D287-A291 VanDerWaalsContact O-CB 3.26Å; D287-A291 WeakPolarHBondContact O-CB 3.24Å; D287-A291 PolarHBondContact O-N 2.92Å; M288-A291 PolarHBondContact O-N 3.06Å; A291-R294 PolarHBondContact O-N 3.14Å; A291-R295 WeakPolarHBondContact O-CG 3.2Å; A291-R295 PolarHBondContact O-N 3.45Å; A291-R295 VanDerWaalsContact O-N 3.09Å
292F98Very high96.6Very high10 Ų1054 Ų544%0.04430%0.302CS..Hα-helixtrans-63.1-43.7173.2-173.7-100.9000112.2L161 M288 L289 N290 R294 R295 V296 I310 L312 C321 L323L161-F292 HydrophobicContact CD2-CE2 3.87Å; L161-F292 HydrophobicContact CD2-CZ 4.31Å; M288-F292 PolarHBondContact O-N 3.29Å; L289-F292 PolarHBondContact O-N 2.91Å; N290-F292 VanDerWaalsContact C-N 3.3Å; F292-R294 VanDerWaalsContact C-N 3.33Å; F292-R294 PolarHBondContact O-N 3.13Å; F292-R295 WeakPolarHBondContact O-CB 3.4Å; F292-R295 PolarHBondContact O-N 2.62Å; F292-R295 VanDerWaalsContact O-N 3.1Å; F292-V296 HydrophobicContact CD1-CG2 4.05Å; F292-V296 HydrophobicContact CE1-CG2 3.76Å; F292-V296 HydrophobicContact CZ-CG2 4.12Å; F292-V296 WeakPolarHBondContact O-CG2 3.4Å; F292-V296 PolarHBondContact O-N 2.97Å; F292-I310 HydrophobicContact CD1-CD1 4.12Å; F292-I310 HydrophobicContact CE1-CD1 4.36Å; F292-L312 HydrophobicContact CD1-CD2 3.71Å; F292-L312 HydrophobicContact CE1-CB 4.14Å; F292-L312 HydrophobicContact CE1-CD2 3.98Å; F292-C321 HydrophobicContact CB-CB 4.2Å; F292-C321 HydrophobicContact CD1-CB 3.9Å; F292-C321 HydrophobicContact CD2-CB 3.38Å; F292-C321 HydrophobicContact CE1-CB 4.01Å; F292-C321 HydrophobicContact CE2-CB 3.53Å; F292-C321 HydrophobicContact CG-CB 3.55Å; F292-C321 HydrophobicContact CZ-CB 3.82Å; F292-L323 HydrophobicContact CE1-CB 4.33Å; F292-L323 HydrophobicContact CE1-CD1 4.12Å; F292-L323 HydrophobicContact CZ-CB 4.03Å
293A97.7Very high96.4Very high1 Ų146.8 Ų46.81%0.00827%0.269CS..Hα-helixtrans-57.2-44.1175.600000112.5I243 M245 L289 N290 R295 V296 I297 I310I243-A293 HydrophobicContact CD1-CB 3.9Å; I243-A293 HydrophobicContact CG2-CB 4.4Å; M245-A293 HydrophobicContact CE-CB 4.34Å; M245-A293 HydrophobicContact SD-CB 4.02Å; L289-A293 PolarHBondContact O-N 3.25Å; N290-A293 PolarHBondContact O-N 2.98Å; A293-R295 VanDerWaalsContact C-N 3.34Å; A293-R295 PolarHBondContact O-N 2.77Å; A293-V296 PolarHBondContact O-N 3.49Å; A293-I297 WeakPolarHBondContact O-CG1 3.21Å; A293-I297 PolarHBondContact O-N 3.44Å; A293-I310 HydrophobicContact CB-CD1 4.04Å
294R97.2Very high96.3Very high135 Ų13546.7 Ų46.751%0.50927%0.269SS..Hα-helixtrans-62-38.2175-73-175-69.5-94.42.8112.7I252 N290 A291 F292 I297 A298I252-R294 HydrophobicContact CD1-CG 4.26Å; N290-R294 WeakPolarHBondContact O-CG 3.44Å; N290-R294 PolarHBondContact O-N 2.92Å; A291-R294 PolarHBondContact O-N 3.14Å; F292-R294 VanDerWaalsContact C-N 3.33Å; F292-R294 PolarHBondContact O-N 3.13Å; R294-I297 PolarHBondContact O-N 3.27Å; R294-A298 PolarHBondContact O-N 3.31Å
295R97.6Very high96.3Very high139 Ų13944.8 Ų44.853%0.52524%0.24SC..Hα-helixtrans-64.2-42.6173.9-72176.560-163.1-3.3112.1G160 L161 A291 F292 A293 I297 A298 A299G160-R295 PolarHBondContact O-NH2 3.5Å; L161-R295 HydrophobicContact CD2-CB 4.39Å; A291-R295 WeakPolarHBondContact O-CG 3.2Å; A291-R295 PolarHBondContact O-N 3.45Å; A291-R295 VanDerWaalsContact O-N 3.09Å; F292-R295 WeakPolarHBondContact O-CB 3.4Å; F292-R295 PolarHBondContact O-N 2.62Å; F292-R295 VanDerWaalsContact O-N 3.1Å; A293-R295 VanDerWaalsContact C-N 3.34Å; A293-R295 PolarHBondContact O-N 2.77Å; R295-I297 VanDerWaalsContact C-N 3.3Å; R295-I297 PolarHBondContact O-N 3.4Å; R295-A298 PolarHBondContact O-N 3.05Å; R295-A299 WeakPolarHBondContact O-CB 3.48Å; R295-A299 PolarHBondContact O-N 3.31Å
296V97.8Very high96.2Very high0 Ų042.4 Ų42.40%023%0.231CC..Hα-helixtrans-62.9-41.5175.3179.80000110.2L161 F292 A293 A299 W300 F308 I310 L323 V326L161-V296 HydrophobicContact CD1-CG2 4.12Å; L161-V296 HydrophobicContact CD2-CG2 4.36Å; F292-V296 HydrophobicContact CD1-CG2 4.05Å; F292-V296 HydrophobicContact CE1-CG2 3.76Å; F292-V296 HydrophobicContact CZ-CG2 4.12Å; F292-V296 WeakPolarHBondContact O-CG2 3.4Å; F292-V296 PolarHBondContact O-N 2.97Å; A293-V296 PolarHBondContact O-N 3.49Å; V296-A299 PolarHBondContact O-N 3.19Å; V296-W300 HydrophobicContact CG1-CD2 4.37Å; V296-W300 HydrophobicContact CG1-CE3 3.83Å; V296-W300 HydrophobicContact CG1-CZ3 4.07Å; V296-W300 PolarHBondContact O-N 3.04Å; V296-F308 HydrophobicContact CG1-CZ 4.22Å; V296-I310 HydrophobicContact CB-CD1 4.44Å; V296-I310 HydrophobicContact CB-CG2 4.48Å; V296-I310 HydrophobicContact CG1-CG2 3.85Å; V296-I310 HydrophobicContact CG2-CD1 4.13Å; V296-L323 HydrophobicContact CG1-CD2 4.33Å; V296-L323 HydrophobicContact CG2-CD1 4.2Å; V296-L323 HydrophobicContact CG2-CD2 4.26Å; V296-V326 HydrophobicContact CG1-CG2 4.1Å
297I96.9Very high96.1Very high13 Ų1341.5 Ų41.57%0.06723%0.228CC..Hα-helixtrans-60.5-50.1176.6-75.7162.3000111.5M245 I247 I252 A293 R294 R295 A299 W300 S301 I303 F308M245-I297 HydrophobicContact SD-CD1 3.63Å; M245-I297 HydrophobicContact SD-CG1 4.48Å; I247-I297 HydrophobicContact CD1-CD1 3.72Å; I247-I297 HydrophobicContact CD1-CG1 3.76Å; I252-I297 HydrophobicContact CD1-CD1 3.41Å; I252-I297 VanDerWaalsContact CD1-CD1 3.41Å; I252-I297 HydrophobicContact CG1-CD1 3.39Å; A293-I297 WeakPolarHBondContact O-CG1 3.21Å; A293-I297 PolarHBondContact O-N 3.44Å; R294-I297 PolarHBondContact O-N 3.27Å; R295-I297 VanDerWaalsContact C-N 3.3Å; R295-I297 PolarHBondContact O-N 3.4Å; I297-A299 PolarHBondContact O-N 2.79Å; I297-W300 CarbonylContact O-C 3.56Å; I297-W300 PolarHBondContact O-N 2.84Å; I297-S301 PolarHBondContact O-N 3.47Å; I297-I303 HydrophobicContact CB-CD1 3.89Å; I297-I303 HydrophobicContact CG1-CD1 3.8Å; I297-I303 HydrophobicContact CG2-CD1 3.68Å; I297-F308 HydrophobicContact CG1-CD1 4.33Å; I297-F308 HydrophobicContact CG1-CE1 3.92Å
298A96.7Very high96.1Very high73 Ų7335.9 Ų35.960%0.60320%0.197SC*.Hα-helixtrans-57.6-40.1177.800000111.8R294 R295 W300R294-A298 PolarHBondContact O-N 3.31Å; R295-A298 PolarHBondContact O-N 3.05Å; A298-W300 VanDerWaalsContact C-N 3.32Å; A298-W300 PolarHBondContact O-N 3.37Å
299A96.6Very high96.1Very high20 Ų2032.3 Ų32.317%0.16518%0.18CC..Hα-helixtrans-70.5-23.9176.600000113.8H155 V159 L161 R295 V296 I297H155-A299 PolarHBondContact CE1-O 3.49Å; H155-A299 PolarHBondContact NE2-O 3.33Å; V159-A299 HydrophobicContact CB-CB 4.07Å; V159-A299 HydrophobicContact CG1-CB 4.33Å; V159-A299 HydrophobicContact CG2-CB 3.76Å; L161-A299 HydrophobicContact CD1-CB 3.77Å; R295-A299 WeakPolarHBondContact O-CB 3.48Å; R295-A299 PolarHBondContact O-N 3.31Å; V296-A299 PolarHBondContact O-N 3.19Å; I297-A299 PolarHBondContact O-N 2.79Å
300W95.8Very high96.1Very high0 Ų032.3 Ų32.30%018%0.18CC..Hα-helixtrans-98.5-6178.3-97.4-108.9000114R142 F146 M152 H155 L161 V296 I297 A298 P302 I303 F308 L323 V326R142-W300 PolarHBondContact NH1-O 3.37Å; R142-W300 PolarHBondContact NH2-O 3.13Å; F146-W300 AromaticContact CE1-CD1 3.7Å; F146-W300 AromaticContact CE2-CD1 3.99Å; F146-W300 AromaticContact CZ-CD1 3.46Å; F146-W300 VanDerWaalsContact CZ-CD1 3.46Å; M152-W300 HydrophobicContact CG-CH2 4.16Å; M152-W300 HydrophobicContact CG-CZ2 3.79Å; H155-W300 AromaticContact CD2-CE3 3.82Å; H155-W300 AromaticContact CD2-CH2 3.62Å; H155-W300 AromaticContact CD2-CZ2 3.85Å; H155-W300 AromaticContact CD2-CZ3 3.59Å; H155-W300 AromaticContact NE2-CE3 3.96Å; L161-W300 HydrophobicContact CD1-CE3 4.48Å; L161-W300 HydrophobicContact CD1-CZ3 3.75Å; V296-W300 HydrophobicContact CG1-CD2 4.37Å; V296-W300 HydrophobicContact CG1-CE3 3.83Å; V296-W300 HydrophobicContact CG1-CZ3 4.07Å; V296-W300 PolarHBondContact O-N 3.04Å; I297-W300 CarbonylContact O-C 3.56Å; I297-W300 PolarHBondContact O-N 2.84Å; A298-W300 VanDerWaalsContact C-N 3.32Å; A298-W300 PolarHBondContact O-N 3.37Å; W300-P302 CarbonylContact O-C 3.58Å; W300-I303 HydrophobicContact CB-CD1 3.96Å; W300-I303 HydrophobicContact CB-CG1 3.96Å; W300-F308 HydrophobicContact CB-CE2 4.5Å; W300-F308 HydrophobicContact CB-CZ 4.47Å; W300-L323 HydrophobicContact CH2-CD2 4.02Å; W300-L323 HydrophobicContact CZ3-CD2 4.31Å; W300-V326 HydrophobicContact CD2-CG1 4.43Å; W300-V326 HydrophobicContact CG-CG1 4.45Å; W300-V326 HydrophobicContact CH2-CG2 4.07Å; W300-V326 HydrophobicContact CZ2-CB 4.21Å; W300-V326 HydrophobicContact CZ2-CG1 4.48Å; W300-V326 HydrophobicContact CZ2-CG2 3.78Å
301S95.1Very high96.1Very high52 Ų5232.4 Ų32.436%0.36418%0.18SC..PPolyproline II helixtrans-58141.7176.8173.50000111.7R142 D250 I297R142-S301 PolarHBondContact NH2-O 3.23Å; D250-S301 WeakPolarHBondContact OD2-CB 3.11Å; D250-S301 PolarHBondContact OD2-OG 2.92Å; I297-S301 PolarHBondContact O-N 3.47Å
302P94Very high96.2Very high91 Ų9130.7 Ų30.759%0.59117%0.165SC*.SBendcis-71.6133-7.328.4-35000112.1R142 W300R142-P302 PolarHBondContact NH1-O 2.93Å; W300-P302 CarbonylContact O-C 3.58Å
303I92.4Very high96.2Very high10 Ų1031.1 Ų31.15%0.05117%0.167CC..PPolyproline II helixtrans-93.9139.2178.9-56.9-173.8000109.4I247 D250 I297 W300 N305 F308I247-I303 HydrophobicContact CD1-CD1 3.92Å; I247-I303 HydrophobicContact CD1-CG2 4.17Å; I247-I303 HydrophobicContact CG2-CB 4.36Å; I247-I303 HydrophobicContact CG2-CG2 4.36Å; D250-I303 WeakPolarHBondContact OD1-CB 3.48Å; D250-I303 PolarHBondContact OD1-N 3.47Å; I297-I303 HydrophobicContact CB-CD1 3.89Å; I297-I303 HydrophobicContact CG1-CD1 3.8Å; I297-I303 HydrophobicContact CG2-CD1 3.68Å; W300-I303 HydrophobicContact CB-CD1 3.96Å; W300-I303 HydrophobicContact CB-CG1 3.96Å; I303-N305 PolarHBondContact O-N 3.18Å; I303-F308 HydrophobicContact CD1-CD2 4.39Å; I303-F308 HydrophobicContact CD1-CE1 4.46Å; I303-F308 HydrophobicContact CD1-CE2 4.06Å; I303-F308 HydrophobicContact CD1-CZ 4.1Å; I303-F308 HydrophobicContact CG2-CB 4.5Å; I303-F308 HydrophobicContact CG2-CD2 3.68Å; I303-F308 HydrophobicContact CG2-CE2 4.12Å; I303-F308 HydrophobicContact CG2-CG 4.23Å
304P92.5Very high96.2Very high25 Ų2531.7 Ų31.716%0.16217%0.17CC..PPolyproline II helixtrans-58.7137.7171.6-21.632.8000112L138L138-P304 HydrophobicContact CB-CB 4.49Å; L138-P304 HydrophobicContact CB-CG 3.7Å; L138-P304 HydrophobicContact CD1-CG 4.14Å; L138-P304 HydrophobicContact CD2-CG 4.49Å; L138-P304 HydrophobicContact CG-CG 4.33Å
305N95.1Very high96.2Very high44 Ų4426 Ų2624%0.23515%0.149CC..SBendtrans-59.3143.7173.2-69.1-12.2000111.3I247 Q248 E249 I303 A354 N355I247-N305 CarbonylContact O-C 3.57Å; I247-N305 WeakPolarHBondContact O-CA 3.48Å; Q248-N305 WeakPolarHBondContact CA-OD1 3.42Å; E249-N305 PolarHBondContact N-OD1 2.65Å; I303-N305 PolarHBondContact O-N 3.18Å; N305-A354 HydrophobicContact CB-CB 4.4Å; N305-A354 WeakPolarHBondContact CB-O 3.44Å; N305-A354 PolarHBondContact ND2-O 2.76Å; N305-N355 PolarHBondContact O-ND2 3.27Å
306G95.4Very high96Very high0 Ų022.7 Ų22.70%015%0.146CC..EExtended strand (participates in β ladder)trans112.1-129.3176.500000113.1F246 I247 H351F246-G306 CarbonylContact C-O 3.52Å; F246-G306 WeakPolarHBondContact CA-O 3.35Å; I247-G306 PolarHBondContact N-O 3.31Å; I247-G306 PolarHBondContact O-N 2.92Å; G306-H351 WeakPolarHBondContact CA-ND1 3.45Å
307L95.3Very high95.9Very high7 Ų731.1 Ų31.14%0.03719%0.185CC..EExtended strand (participates in β ladder)trans-90.4127.6-167.9-67.7171.9000110L118 F246 C328 R329 L330 L347 H351L118-L307 HydrophobicContact CD2-CD1 4.06Å; F246-L307 HydrophobicContact CD2-CD2 3.79Å; F246-L307 HydrophobicContact CD2-CG 4.46Å; F246-L307 HydrophobicContact CE2-CD2 4.28Å; L307-C328 CarbonylContact O-C 3.59Å; L307-C328 WeakPolarHBondContact O-CA 3.43Å; L307-R329 PolarHBondContact O-N 3.39Å; L307-L330 HydrophobicContact CD1-CB 4.29Å; L307-L330 HydrophobicContact CD1-CD1 3.65Å; L307-L347 HydrophobicContact CD1-CB 4.21Å; L307-L347 HydrophobicContact CD2-CB 4Å; L307-L347 HydrophobicContact CD2-CD1 4.11Å; L307-L347 HydrophobicContact CD2-CD2 3.88Å; L307-L347 HydrophobicContact CD2-CG 4.21Å; L307-H351 HydrophobicContact CD1-CB 4.29Å; L307-H351 HydrophobicContact CG-CB 4.25Å; L307-H351 PolarHBondContact N-ND1 3.22Å
308F96.2Very high95.8Very high1 Ų137.4 Ų37.40%0.00421%0.212CC..EExtended strand (participates in β ladder)trans-136.8135.3175.7-177-96.4000108.8F146 M245 I247 V296 I297 W300 I303 I310 V326 C327F146-F308 HydrophobicContact CE1-CD2 4.09Å; F146-F308 AromaticContact CE1-CE2 3.77Å; F146-F308 HydrophobicContact CE1-CE2 3.77Å; M245-F308 CarbonylContact C-O 3.55Å; M245-F308 VanDerWaalsContact CA-O 3.32Å; M245-F308 WeakPolarHBondContact CA-O 3.45Å; M245-F308 WeakPolarHBondContact CB-O 3.47Å; M245-F308 HydrophobicContact CE-CD1 3.58Å; M245-F308 HydrophobicContact CE-CE1 3.84Å; M245-F308 PolarHBondContact N-O 3.29Å; M245-F308 PolarHBondContact O-N 2.7Å; M245-F308 HydrophobicContact SD-CD1 4.34Å; I247-F308 HydrophobicContact CD1-CB 3.54Å; I247-F308 HydrophobicContact CD1-CD1 3.54Å; I247-F308 HydrophobicContact CD1-CD2 4.47Å; I247-F308 HydrophobicContact CD1-CE1 4.34Å; I247-F308 HydrophobicContact CD1-CG 3.63Å; I247-F308 HydrophobicContact CG1-CB 4Å; V296-F308 HydrophobicContact CG1-CZ 4.22Å; I297-F308 HydrophobicContact CG1-CD1 4.33Å; I297-F308 HydrophobicContact CG1-CE1 3.92Å; W300-F308 HydrophobicContact CB-CE2 4.5Å; W300-F308 HydrophobicContact CB-CZ 4.47Å; I303-F308 HydrophobicContact CD1-CD2 4.39Å; I303-F308 HydrophobicContact CD1-CE1 4.46Å; I303-F308 HydrophobicContact CD1-CE2 4.06Å; I303-F308 HydrophobicContact CD1-CZ 4.1Å; I303-F308 HydrophobicContact CG2-CB 4.5Å; I303-F308 HydrophobicContact CG2-CD2 3.68Å; I303-F308 HydrophobicContact CG2-CE2 4.12Å; I303-F308 HydrophobicContact CG2-CG 4.23Å; F308-I310 HydrophobicContact CD1-CG2 4.5Å; F308-I310 HydrophobicContact CE1-CG2 3.68Å; F308-I310 HydrophobicContact CZ-CG2 4.08Å; F308-V326 HydrophobicContact CD2-CG1 4.36Å; F308-V326 HydrophobicContact CE1-CG1 4.4Å; F308-V326 HydrophobicContact CE2-CG1 3.36Å; F308-V326 HydrophobicContact CZ-CG1 3.38Å; F308-C327 CarbonylContact C-O 3.5Å; F308-C327 VanDerWaalsContact CA-O 3.27Å; F308-C327 WeakPolarHBondContact CA-O 3.27Å
309F97.1Very high95.7Very high5 Ų540.4 Ų40.42%0.02221%0.214CC..EExtended strand (participates in β ladder)trans-147.6154174.466.9-93.3000111.6T242 I243 Y244 C327 R329 P331T242-F309 HydrophobicContact CG2-CD2 4.42Å; I243-F309 WeakPolarHBondContact O-CA 3.41Å; I243-F309 VanDerWaalsContact O-CB 3.24Å; I243-F309 WeakPolarHBondContact O-CB 3.38Å; Y244-F309 HydrophobicContact CD1-CB 3.61Å; Y244-F309 HydrophobicContact CD1-CD1 4.28Å; Y244-F309 HydrophobicContact CD1-CD2 4.47Å; Y244-F309 AromaticContact CD1-CG 3.9Å; Y244-F309 HydrophobicContact CD1-CG 3.9Å; Y244-F309 HydrophobicContact CE1-CB 4.23Å; Y244-F309 HydrophobicContact CE1-CD1 4.49Å; Y244-F309 HydrophobicContact CE1-CD2 4.26Å; Y244-F309 HydrophobicContact CE1-CG 4.09Å; Y244-F309 HydrophobicContact CG-CB 4.42Å; F309-C327 HydrophobicContact CD1-CB 3.76Å; F309-C327 HydrophobicContact CD2-CB 3.96Å; F309-C327 HydrophobicContact CE1-CB 3.27Å; F309-C327 HydrophobicContact CE2-CB 3.48Å; F309-C327 VanDerWaalsContact CE2-CB 3.48Å; F309-C327 HydrophobicContact CG-CB 4.08Å; F309-C327 HydrophobicContact CZ-CB 3.12Å; F309-C327 VanDerWaalsContact CZ-SG 3.58Å; F309-C327 PolarHBondContact N-O 3.47Å; F309-C327 PolarHBondContact O-N 2.95Å; F309-R329 HydrophobicContact CE1-CG 4.12Å; F309-P331 HydrophobicContact CD1-CB 4.07Å; F309-P331 HydrophobicContact CE1-CB 3.89Å; F309-P331 HydrophobicContact CZ-CB 4.4Å
310I97.6Very high95.6Very high0 Ų042.3 Ų42.30%022%0.219CC..EExtended strand (participates in β ladder)trans-124.6149.4177.466.1172.5000110.4T242 I243 M245 F292 A293 V296 F308 L312 L323 E325 V326T242-I310 WeakPolarHBondContact CA-O 3.33Å; I243-I310 HydrophobicContact CB-CG1 4.02Å; I243-I310 HydrophobicContact CD1-CD1 4.26Å; I243-I310 HydrophobicContact CD1-CG1 4.44Å; I243-I310 HydrophobicContact CG1-CG1 4.41Å; I243-I310 PolarHBondContact N-O 2.96Å; I243-I310 PolarHBondContact O-N 2.89Å; I243-I310 VanDerWaalsContact O-N 3.1Å; M245-I310 HydrophobicContact CE-CG1 4.05Å; M245-I310 HydrophobicContact CE-CG2 4.2Å; F292-I310 HydrophobicContact CD1-CD1 4.12Å; F292-I310 HydrophobicContact CE1-CD1 4.36Å; A293-I310 HydrophobicContact CB-CD1 4.04Å; V296-I310 HydrophobicContact CB-CD1 4.44Å; V296-I310 HydrophobicContact CB-CG2 4.48Å; V296-I310 HydrophobicContact CG1-CG2 3.85Å; V296-I310 HydrophobicContact CG2-CD1 4.13Å; F308-I310 HydrophobicContact CD1-CG2 4.5Å; F308-I310 HydrophobicContact CE1-CG2 3.68Å; F308-I310 HydrophobicContact CZ-CG2 4.08Å; I310-L312 HydrophobicContact CD1-CD2 3.88Å; I310-L312 HydrophobicContact CG1-CD2 4.3Å; I310-L323 HydrophobicContact CB-CD1 4Å; I310-L323 HydrophobicContact CG2-CD1 4.37Å; I310-E325 CarbonylContact C-O 3.49Å; I310-E325 VanDerWaalsContact CA-O 3.25Å; I310-E325 WeakPolarHBondContact CA-O 3.37Å; I310-V326 HydrophobicContact CG2-CG1 4.34Å; I310-V326 HydrophobicContact CG2-CG2 4.14Å
311Q97.3Very high95.7Very high18 Ų1842.9 Ų42.98%0.08422%0.223CC..EExtended strand (participates in β ladder)trans-118.4138.3166.4-62.8176.920.200109.1F241 T242 I324 E325F241-Q311 WeakPolarHBondContact O-CA 3.35Å; T242-Q311 HydrophobicContact CG2-CG 4.03Å; Q311-I324 HydrophobicContact CB-CB 4.35Å; Q311-I324 HydrophobicContact CB-CD1 4.4Å; Q311-I324 WeakPolarHBondContact O-CB 3.44Å; Q311-I324 PolarHBondContact O-N 3.27Å; Q311-E325 HydrophobicContact CB-CB 4.02Å; Q311-E325 HydrophobicContact CG-CB 4.31Å; Q311-E325 PolarHBondContact N-O 3.23Å; Q311-E325 PolarHBondContact NE2-OE2 2.83Å; Q311-E325 PolarHBondContact O-N 3.3Å; Q311-E325 PolarHBondContact OE1-OE2 2.92Å
312L98.1Very high95.8Very high0 Ų040.9 Ų40.90%021%0.209CC..EExtended strand (participates in β ladder)trans-149.7159.3-17567.898.3000110.7E240 F241 I243 L289 F292 I310 F314 C321 V322E240-L312 CarbonylContact C-O 3.48Å; E240-L312 WeakPolarHBondContact CA-O 3.35Å; F241-L312 HydrophobicContact CB-CD1 4.19Å; F241-L312 HydrophobicContact CB-CG 4.17Å; F241-L312 HydrophobicContact CD2-CD1 4.48Å; F241-L312 PolarHBondContact N-O 3.36Å; F241-L312 PolarHBondContact O-N 3.44Å; F241-L312 VanDerWaalsContact O-N 3.08Å; I243-L312 HydrophobicContact CD1-CD2 4.03Å; L289-L312 HydrophobicContact CD2-CD1 3.64Å; L289-L312 HydrophobicContact CD2-CD2 4.34Å; F292-L312 HydrophobicContact CD1-CD2 3.71Å; F292-L312 HydrophobicContact CE1-CB 4.14Å; F292-L312 HydrophobicContact CE1-CD2 3.98Å; I310-L312 HydrophobicContact CD1-CD2 3.88Å; I310-L312 HydrophobicContact CG1-CD2 4.3Å; L312-F314 HydrophobicContact CD1-CB 4.26Å; L312-C321 HydrophobicContact CD1-CB 4.33Å; L312-V322 CarbonylContact C-O 3.5Å; L312-V322 WeakPolarHBondContact CA-O 3.23Å; L312-V322 WeakPolarHBondContact CB-O 3.44Å
313F97.9Very high96Very high20 Ų2036.7 Ų36.79%0.08818%0.181CC..EExtended strand (participates in β ladder)trans-102.3139162.2-78.4-84.8000109.9I236 E239 E240 P263 C321 V322 I324I236-F313 HydrophobicContact CB-CB 4.24Å; I236-F313 HydrophobicContact CB-CD2 3.57Å; I236-F313 HydrophobicContact CB-CE2 4.07Å; I236-F313 HydrophobicContact CB-CG 3.91Å; I236-F313 HydrophobicContact CD1-CD2 3.53Å; I236-F313 HydrophobicContact CD1-CE2 4.05Å; I236-F313 HydrophobicContact CD1-CG 4.48Å; I236-F313 HydrophobicContact CG1-CD2 4.15Å; I236-F313 HydrophobicContact CG2-CB 3.45Å; I236-F313 VanDerWaalsContact CG2-CB 3.45Å; I236-F313 HydrophobicContact CG2-CD1 4.5Å; I236-F313 HydrophobicContact CG2-CD2 3.77Å; I236-F313 HydrophobicContact CG2-CG 3.67Å; E239-F313 CarbonylContact O-C 3.44Å; E239-F313 VanDerWaalsContact O-CA 3.29Å; E239-F313 WeakPolarHBondContact O-CA 3.42Å; E240-F313 HydrophobicContact CB-CD1 3.98Å; E240-F313 HydrophobicContact CB-CE1 3.64Å; E240-F313 HydrophobicContact CB-CZ 4.02Å; E240-F313 HydrophobicContact CG-CE1 4.31Å; E240-F313 HydrophobicContact CG-CZ 4.22Å; P263-F313 HydrophobicContact CB-CZ 4.22Å; P263-F313 HydrophobicContact CG-CE1 4.23Å; P263-F313 HydrophobicContact CG-CZ 4.16Å; F313-C321 CarbonylContact O-C 3.56Å; F313-C321 WeakPolarHBondContact O-CA 3.36Å; F313-V322 PolarHBondContact N-O 2.84Å; F313-V322 PolarHBondContact O-N 2.91Å; F313-I324 HydrophobicContact CD2-CD1 3.16Å; F313-I324 HydrophobicContact CD2-CG1 3.66Å; F313-I324 HydrophobicContact CE2-CD1 3.22Å; F313-I324 HydrophobicContact CE2-CG1 3.97Å; F313-I324 HydrophobicContact CG-CD1 4.15Å; F313-I324 HydrophobicContact CZ-CD1 4.25Å
314F97.9Very high96.1Very high13 Ų1337.8 Ų37.86%0.05719%0.187CC..EExtended strand (participates in β ladder)trans-110.7123.6170.4176-114.7000109.4G238 E239 F241 R285 M288 L289 L312 P316 E320G238-F314 CarbonylContact C-O 3.57Å; G238-F314 WeakPolarHBondContact CA-O 3.42Å; E239-F314 PolarHBondContact N-O 2.99Å; E239-F314 PolarHBondContact O-N 3.39Å; F241-F314 HydrophobicContact CD2-CB 3.91Å; F241-F314 HydrophobicContact CE2-CB 3.83Å; F241-F314 HydrophobicContact CE2-CD1 4.39Å; R285-F314 HydrophobicContact CG-CD1 4.17Å; R285-F314 HydrophobicContact CG-CE1 3.77Å; M288-F314 HydrophobicContact CG-CE2 4.03Å; L289-F314 HydrophobicContact CD2-CB 4.23Å; L312-F314 HydrophobicContact CD1-CB 4.26Å; F314-P316 HydrophobicContact CD1-CB 4.49Å; F314-P316 HydrophobicContact CE1-CB 3.92Å; F314-P316 WeakPolarHBondContact O-CD 3.21Å; F314-E320 CarbonylContact C-O 3.59Å; F314-E320 WeakPolarHBondContact CA-O 3.46Å
315N97Very high96.2Very high14 Ų1438.9 Ų38.98%0.07519%0.19CC..EExtended strand (participates in β ladder)trans-95.8108.7172.3-174.6-48.5000108.7V237 E317 K318 E319 E320V237-N315 PolarHBondContact O-ND2 3.45Å; N315-E317 VanDerWaalsContact C-N 3.34Å; N315-E317 PolarHBondContact O-N 3.46Å; N315-E317 WeakPolarHBondContact OD1-CB 3.01Å; N315-E317 PolarHBondContact OD1-N 2.8Å; N315-K318 HydrophobicContact CB-CB 4.32Å; N315-K318 PolarHBondContact O-N 2.88Å; N315-K318 PolarHBondContact OD1-N 3.08Å; N315-E319 VanDerWaalsContact O-CA 3.27Å; N315-E319 WeakPolarHBondContact O-CA 3.17Å; N315-E319 PolarHBondContact O-N 3.07Å; N315-E320 PolarHBondContact N-O 3.38Å; N315-E320 PolarHBondContact O-N 2.79Å; N315-E320 VanDerWaalsContact O-N 3.1Å
316P94.1Very high96.3Very high70 Ų7036.8 Ų36.846%0.45518%0.179SC..THydrogen-bonded Turntrans-68.7-30.2-177.526.7-34.4000113.3F314 K318F314-P316 HydrophobicContact CD1-CB 4.49Å; F314-P316 HydrophobicContact CE1-CB 3.92Å; F314-P316 WeakPolarHBondContact O-CD 3.21Å; P316-K318 VanDerWaalsContact C-N 3.33Å; P316-K318 PolarHBondContact O-N 2.8Å
317E94.9Very high96.2Very high177 Ų17737 Ų3783%0.82718%0.18SC*.THydrogen-bonded Turntrans-70.5-31.7179.4-60.1178.1169.500112.2N315N315-E317 VanDerWaalsContact C-N 3.34Å; N315-E317 PolarHBondContact O-N 3.46Å; N315-E317 WeakPolarHBondContact OD1-CB 3.01Å; N315-E317 PolarHBondContact OD1-N 2.8Å
318K95.1Very high96.1Very high145 Ų14537.4 Ų37.463%0.6318%0.183SC*.THydrogen-bonded Turntrans-103.5-2.4180-60.4-176.1-179.1-179.60113.5N315 P316 E320N315-K318 HydrophobicContact CB-CB 4.32Å; N315-K318 PolarHBondContact O-N 2.88Å; N315-K318 PolarHBondContact OD1-N 3.08Å; P316-K318 VanDerWaalsContact C-N 3.33Å; P316-K318 PolarHBondContact O-N 2.8Å; K318-E320 HydrophobicContact CB-CB 4.03Å; K318-E320 PolarHBondContact O-N 3Å; K318-E320 VanDerWaalsContact O-N 3.17Å
319E93.3Very high95.9Very high137 Ų13738.6 Ų38.664%0.6419%0.188SC*.THydrogen-bonded Turntrans45.241.1-169.9-60.5-170.6149.400113.4N315N315-E319 VanDerWaalsContact O-CA 3.27Å; N315-E319 WeakPolarHBondContact O-CA 3.17Å; N315-E319 PolarHBondContact O-N 3.07Å
320E95.6Very high95.5Very high59 Ų5939 Ų3928%0.27619%0.19SC..EExtended strand (participates in β ladder)trans-115.6133.4-168.3-174.8176.5-141.300112.1K162 F314 N315 K318K162-E320 VanDerWaalsContact CD-CD 3.46Å; K162-E320 HydrophobicContact CD-CG 4.21Å; K162-E320 WeakPolarHBondContact CD-OE1 3.28Å; K162-E320 WeakPolarHBondContact CE-OE1 3.43Å; K162-E320 IonicContact NZ-OE1 3.3Å; K162-E320 PolarHBondContact NZ-OE1 3.49Å; K162-E320 IonicContact NZ-OE2 2.65Å; K162-E320 PolarHBondContact NZ-OE2 3.32Å; F314-E320 CarbonylContact C-O 3.59Å; F314-E320 WeakPolarHBondContact CA-O 3.46Å; N315-E320 PolarHBondContact N-O 3.38Å; N315-E320 PolarHBondContact O-N 2.79Å; N315-E320 VanDerWaalsContact O-N 3.1Å; K318-E320 HydrophobicContact CB-CB 4.03Å; K318-E320 PolarHBondContact O-N 3Å; K318-E320 VanDerWaalsContact O-N 3.17Å
321C98.1Very high95.1Very high13 Ų1339.3 Ų39.39%0.08819%0.192CC..EExtended strand (participates in β ladder)trans-99.8132.4172.1-68.50000111.4F292 L312 F313F292-C321 HydrophobicContact CB-CB 4.2Å; F292-C321 HydrophobicContact CD1-CB 3.9Å; F292-C321 HydrophobicContact CD2-CB 3.38Å; F292-C321 HydrophobicContact CE1-CB 4.01Å; F292-C321 HydrophobicContact CE2-CB 3.53Å; F292-C321 HydrophobicContact CG-CB 3.55Å; F292-C321 HydrophobicContact CZ-CB 3.82Å; L312-C321 HydrophobicContact CD1-CB 4.33Å; F313-C321 CarbonylContact O-C 3.56Å; F313-C321 WeakPolarHBondContact O-CA 3.36Å
322V97.9Very high94.5Very high10 Ų1040 Ų406%0.06121%0.205CC..EExtended strand (participates in β ladder)trans-119.4118.3175.3-175.50000109.3K162 I236 L312 F313K162-V322 HydrophobicContact CD-CG2 3.99Å; K162-V322 HydrophobicContact CG-CG1 4.36Å; K162-V322 HydrophobicContact CG-CG2 4.16Å; I236-V322 HydrophobicContact CD1-CB 4.3Å; I236-V322 HydrophobicContact CD1-CG1 3.61Å; I236-V322 HydrophobicContact CG1-CG1 4.12Å; I236-V322 HydrophobicContact CG2-CB 3.99Å; I236-V322 HydrophobicContact CG2-CG1 4.22Å; I236-V322 HydrophobicContact CG2-CG2 4.03Å; L312-V322 CarbonylContact C-O 3.5Å; L312-V322 WeakPolarHBondContact CA-O 3.23Å; L312-V322 WeakPolarHBondContact CB-O 3.44Å; F313-V322 PolarHBondContact N-O 2.84Å; F313-V322 PolarHBondContact O-N 2.91Å
323L97.9Very high94Very high2 Ų241.8 Ų41.81%0.0122%0.223CC..EExtended strand (participates in β ladder)trans-75.4137.2-179.4-17064.7000111.4K162 T163 F292 V296 W300 I310 V326K162-L323 PolarHBondContact O-N 2.96Å; T163-L323 HydrophobicContact CG2-CB 4.37Å; F292-L323 HydrophobicContact CE1-CB 4.33Å; F292-L323 HydrophobicContact CE1-CD1 4.12Å; F292-L323 HydrophobicContact CZ-CB 4.03Å; V296-L323 HydrophobicContact CG1-CD2 4.33Å; V296-L323 HydrophobicContact CG2-CD1 4.2Å; V296-L323 HydrophobicContact CG2-CD2 4.26Å; W300-L323 HydrophobicContact CH2-CD2 4.02Å; W300-L323 HydrophobicContact CZ3-CD2 4.31Å; I310-L323 HydrophobicContact CB-CD1 4Å; I310-L323 HydrophobicContact CG2-CD1 4.37Å; L323-V326 HydrophobicContact CD1-CG2 4.04Å; L323-V326 HydrophobicContact CD2-CG2 3.66Å; L323-V326 HydrophobicContact CG-CG2 4.15Å
324I94.4Very high93.8Very high34 Ų3441.5 Ų41.517%0.17422%0.221CC..EExtended strand (participates in β ladder)trans-115.8-44.3-179.4-49.9161.7000111.4M152 I236 E240 Q311 F313M152-I324 WeakPolarHBondContact CE-O 3.44Å; I236-I324 HydrophobicContact CD1-CG1 4.04Å; E240-I324 HydrophobicContact CG-CD1 4.15Å; Q311-I324 HydrophobicContact CB-CB 4.35Å; Q311-I324 HydrophobicContact CB-CD1 4.4Å; Q311-I324 WeakPolarHBondContact O-CB 3.44Å; Q311-I324 PolarHBondContact O-N 3.27Å; F313-I324 HydrophobicContact CD2-CD1 3.16Å; F313-I324 HydrophobicContact CD2-CG1 3.66Å; F313-I324 HydrophobicContact CE2-CD1 3.22Å; F313-I324 HydrophobicContact CE2-CG1 3.97Å; F313-I324 HydrophobicContact CG-CD1 4.15Å; F313-I324 HydrophobicContact CZ-CD1 4.25Å
325E94.4Very high93.7Very high47 Ų4741 Ų4122%0.2222%0.219CC..EExtended strand (participates in β ladder)trans-147.1142.3-173.6-169.2179.1-177.300110.2I310 Q311 C327 R329I310-E325 CarbonylContact C-O 3.49Å; I310-E325 VanDerWaalsContact CA-O 3.25Å; I310-E325 WeakPolarHBondContact CA-O 3.37Å; Q311-E325 HydrophobicContact CB-CB 4.02Å; Q311-E325 HydrophobicContact CG-CB 4.31Å; Q311-E325 PolarHBondContact N-O 3.23Å; Q311-E325 PolarHBondContact NE2-OE2 2.83Å; Q311-E325 PolarHBondContact O-N 3.3Å; Q311-E325 PolarHBondContact OE1-OE2 2.92Å; E325-C327 PolarHBondContact OE1-SG 3Å; E325-R329 IonicContact OE1-NH2 2.85Å; E325-R329 PolarHBondContact OE1-NH2 3.28Å
326V95.8Very high93.5Very high1 Ų140.8 Ų40.81%0.00622%0.218CC..EExtended strand (participates in β ladder)trans-127.7134.1167.9-176.90000107.9F146 M152 V296 W300 F308 I310 L323F146-V326 HydrophobicContact CD1-CG1 4.06Å; F146-V326 HydrophobicContact CE1-CG1 4.08Å; M152-V326 HydrophobicContact SD-CG2 4.32Å; V296-V326 HydrophobicContact CG1-CG2 4.1Å; W300-V326 HydrophobicContact CD2-CG1 4.43Å; W300-V326 HydrophobicContact CG-CG1 4.45Å; W300-V326 HydrophobicContact CH2-CG2 4.07Å; W300-V326 HydrophobicContact CZ2-CB 4.21Å; W300-V326 HydrophobicContact CZ2-CG1 4.48Å; W300-V326 HydrophobicContact CZ2-CG2 3.78Å; F308-V326 HydrophobicContact CD2-CG1 4.36Å; F308-V326 HydrophobicContact CE1-CG1 4.4Å; F308-V326 HydrophobicContact CE2-CG1 3.36Å; F308-V326 HydrophobicContact CZ-CG1 3.38Å; I310-V326 HydrophobicContact CG2-CG1 4.34Å; I310-V326 HydrophobicContact CG2-CG2 4.14Å; L323-V326 HydrophobicContact CD1-CG2 4.04Å; L323-V326 HydrophobicContact CD2-CG2 3.66Å; L323-V326 HydrophobicContact CG-CG2 4.15Å
327C94.8Very high93.5Very high3 Ų340.8 Ų40.82%0.0221%0.212CC..EExtended strand (participates in β ladder)trans-141.1141.4-175.9-87.70000112.3F308 F309 E325 R329F308-C327 CarbonylContact C-O 3.5Å; F308-C327 VanDerWaalsContact CA-O 3.27Å; F308-C327 WeakPolarHBondContact CA-O 3.27Å; F309-C327 HydrophobicContact CD1-CB 3.76Å; F309-C327 HydrophobicContact CD2-CB 3.96Å; F309-C327 HydrophobicContact CE1-CB 3.27Å; F309-C327 HydrophobicContact CE2-CB 3.48Å; F309-C327 VanDerWaalsContact CE2-CB 3.48Å; F309-C327 HydrophobicContact CG-CB 4.08Å; F309-C327 HydrophobicContact CZ-CB 3.12Å; F309-C327 VanDerWaalsContact CZ-SG 3.58Å; F309-C327 PolarHBondContact N-O 3.47Å; F309-C327 PolarHBondContact O-N 2.95Å; E325-C327 PolarHBondContact OE1-SG 3Å; C327-R329 HydrophobicContact CB-CG 4.1Å; C327-R329 PolarHBondContact SG-NE 2.93Å; C327-R329 VanDerWaalsContact SG-NE 3.45Å
328C92.8Very high93.6Very high17 Ų1732.3 Ų32.312%0.11517%0.173CC..  trans-119.962.2174.860.30000111.1L138 F146 L307L138-C328 WeakPolarHBondContact CD2-SG 3.48Å; F146-C328 HydrophobicContact CD1-CB 3.73Å; F146-C328 WeakPolarHBondContact CD1-SG 3.18Å; F146-C328 HydrophobicContact CE1-CB 3.6Å; F146-C328 HydrophobicContact CG-CB 4.45Å; F146-C328 VanDerWaalsContact CG-SG 3.57Å; F146-C328 HydrophobicContact CZ-CB 4.27Å; L307-C328 CarbonylContact O-C 3.59Å; L307-C328 WeakPolarHBondContact O-CA 3.43Å
329R90.9Very high93.5Very high26 Ų2625.4 Ų25.410%0.09814%0.143CC..SBendtrans-156.6173.9-172.857.6168.6175.187-10.1110.5E120 L307 F309 E325 C327E120-R329 VanDerWaalsContact CD-CZ 3.49Å; E120-R329 VanDerWaalsContact CD-NE 3.25Å; E120-R329 VanDerWaalsContact CD-NH2 3.28Å; E120-R329 VanDerWaalsContact CG-NE 3.28Å; E120-R329 IonicContact OE1-NE 3.02Å; E120-R329 IonicContact OE1-NH2 3.27Å; E120-R329 IonicContact OE2-CZ 2.73Å; E120-R329 IonicContact OE2-NE 2.71Å; E120-R329 PolarHBondContact OE2-NE 3.41Å; E120-R329 IonicContact OE2-NH1 3.85Å; E120-R329 IonicContact OE2-NH2 2.76Å; E120-R329 PolarHBondContact OE2-NH2 3.45Å; L307-R329 PolarHBondContact O-N 3.39Å; F309-R329 HydrophobicContact CE1-CG 4.12Å; E325-R329 IonicContact OE1-NH2 2.85Å; E325-R329 PolarHBondContact OE1-NH2 3.28Å; C327-R329 HydrophobicContact CB-CG 4.1Å; C327-R329 PolarHBondContact SG-NE 2.93Å; C327-R329 VanDerWaalsContact SG-NE 3.45Å
330L90.5Very high93.5Very high12 Ų1221.9 Ų21.96%0.06313%0.125CC..PPolyproline II helixtrans-60.4127.6171.2-167.972.1000109.5L36 L118 L307 P336 L347L36-L330 HydrophobicContact CD1-CD1 4.13Å; L36-L330 HydrophobicContact CD1-CD2 3.49Å; L36-L330 VanDerWaalsContact CD1-CD2 3.49Å; L36-L330 HydrophobicContact CD1-CG 4.26Å; L36-L330 HydrophobicContact CG-CD2 4.06Å; L118-L330 HydrophobicContact CB-CB 3.91Å; L118-L330 HydrophobicContact CD1-CB 4.31Å; L118-L330 HydrophobicContact CD1-CD1 4.42Å; L118-L330 HydrophobicContact CD2-CB 4.1Å; L118-L330 HydrophobicContact CG-CB 4.34Å; L118-L330 PolarHBondContact O-N 3.46Å; L307-L330 HydrophobicContact CD1-CB 4.29Å; L307-L330 HydrophobicContact CD1-CD1 3.65Å; L330-P336 HydrophobicContact CD1-CB 4.25Å; L330-P336 HydrophobicContact CD1-CG 3.85Å; L330-P336 HydrophobicContact CG-CG 4.14Å; L330-L347 HydrophobicContact CD1-CB 4.37Å
331P89.1Confident93.4Very high7 Ų725.1 Ų25.15%0.04514%0.135CC..PPolyproline II helixtrans-64.8146.217724.1-30.4000110.5Y244 F309 Y335 P336Y244-P331 HydrophobicContact CD1-CB 3.66Å; Y244-P331 HydrophobicContact CD1-CG 3.9Å; Y244-P331 HydrophobicContact CE1-CB 3.25Å; Y244-P331 HydrophobicContact CE1-CG 3.94Å; F309-P331 HydrophobicContact CD1-CB 4.07Å; F309-P331 HydrophobicContact CE1-CB 3.89Å; F309-P331 HydrophobicContact CZ-CB 4.4Å; P331-Y335 HydrophobicContact CB-CD1 4.48Å; P331-Y335 HydrophobicContact CG-CD1 3.6Å; P331-Y335 HydrophobicContact CG-CE1 4.31Å; P331-P336 HydrophobicContact CG-CG 3.92Å
332G84.1Confident93.2Very high34 Ų3425.1 Ų25.135%0.35114%0.136SC..SBendtrans-70.7172.417100000111.6
333G87.4Confident92.9Very high37 Ų3726.3 Ų26.338%0.38114%0.141SC..THydrogen-bonded Turntrans76.7-140.6175.600000112.9
334K93.4Very high92.5Very high13 Ų1334.3 Ų34.36%0.05717%0.171CC..THydrogen-bonded Turntrans-112.7-2.8-164.7-69.9-74.4162.2163.90114.8E337 A338 F372 S423 I425K334-E337 VanDerWaalsContact CD-OE2 3.31Å; K334-E337 WeakPolarHBondContact CD-OE2 3.39Å; K334-E337 IonicContact NZ-OE2 2.85Å; K334-E337 PolarHBondContact NZ-OE2 2.97Å; K334-E337 PolarHBondContact O-N 2.99Å; K334-A338 WeakPolarHBondContact O-CB 3.17Å; K334-A338 PolarHBondContact O-N 2.82Å; K334-F372 HydrophobicContact CB-CB 3.81Å; K334-F372 HydrophobicContact CB-CD2 3.89Å; K334-F372 HydrophobicContact CB-CG 3.86Å; K334-S423 VanDerWaalsContact CE-CB 3.4Å; K334-S423 WeakPolarHBondContact CE-OG 3.4Å; K334-S423 PolarHBondContact NZ-OG 3.39Å; K334-S423 VanDerWaalsContact NZ-OG 3.11Å; K334-I425 HydrophobicContact CB-CD1 4.22Å; K334-I425 HydrophobicContact CB-CG1 4.03Å; K334-I425 HydrophobicContact CD-CD1 4.1Å; K334-I425 HydrophobicContact CD-CG1 4.33Å; K334-I425 HydrophobicContact CG-CG1 4.45Å
335Y95.3Very high92.4Very high3 Ų333.6 Ų33.61%0.01217%0.167CC..Hα-helixtrans-55.7-48.3-179.4173.5-108.5000113.9Y244 K256 F258 P331 E337 A338 L339 L347 M370 F372Y244-Y335 VanDerWaalsContact CB-CZ 3.47Å; Y244-Y335 AromaticContact CD1-CD1 3.88Å; Y244-Y335 HydrophobicContact CD1-CD1 3.88Å; Y244-Y335 HydrophobicContact CD1-CE1 4.09Å; Y244-Y335 HydrophobicContact CD1-CG 4.4Å; Y244-Y335 AromaticContact CD2-CD1 3.82Å; Y244-Y335 HydrophobicContact CD2-CD1 3.82Å; Y244-Y335 AromaticContact CD2-CD2 3.69Å; Y244-Y335 HydrophobicContact CD2-CD2 3.69Å; Y244-Y335 AromaticContact CD2-CE1 3.96Å; Y244-Y335 HydrophobicContact CD2-CE1 3.96Å; Y244-Y335 AromaticContact CD2-CE2 3.87Å; Y244-Y335 HydrophobicContact CD2-CE2 3.87Å; Y244-Y335 AromaticContact CD2-CG 3.65Å; Y244-Y335 HydrophobicContact CD2-CG 3.65Å; Y244-Y335 AromaticContact CD2-CZ 3.98Å; Y244-Y335 HydrophobicContact CE1-CD1 4.31Å; Y244-Y335 HydrophobicContact CE2-CD1 4.22Å; Y244-Y335 HydrophobicContact CE2-CD2 4.01Å; Y244-Y335 AromaticContact CE2-CG 3.77Å; Y244-Y335 HydrophobicContact CE2-CG 3.77Å; Y244-Y335 AromaticContact CG-CD1 3.62Å; Y244-Y335 HydrophobicContact CG-CD1 3.62Å; Y244-Y335 HydrophobicContact CG-CD2 4.28Å; Y244-Y335 AromaticContact CG-CE1 3.54Å; Y244-Y335 HydrophobicContact CG-CE1 3.54Å; Y244-Y335 HydrophobicContact CG-CE2 4.25Å; Y244-Y335 AromaticContact CG-CG 3.97Å; Y244-Y335 HydrophobicContact CG-CG 3.97Å; Y244-Y335 AromaticContact CG-CZ 3.88Å; K256-Y335 HydrophobicContact CB-CE2 4.05Å; K256-Y335 HydrophobicContact CG-CE2 4.36Å; F258-Y335 AromaticContact CE2-CD2 3.61Å; F258-Y335 HydrophobicContact CE2-CD2 3.61Å; F258-Y335 AromaticContact CE2-CE2 3.57Å; F258-Y335 HydrophobicContact CE2-CE2 3.57Å; F258-Y335 AromaticContact CZ-CD2 3.62Å; F258-Y335 HydrophobicContact CZ-CD2 3.62Å; F258-Y335 AromaticContact CZ-CE2 3.78Å; F258-Y335 HydrophobicContact CZ-CE2 3.78Å; P331-Y335 HydrophobicContact CB-CD1 4.48Å; P331-Y335 HydrophobicContact CG-CD1 3.6Å; P331-Y335 HydrophobicContact CG-CE1 4.31Å; Y335-E337 VanDerWaalsContact C-N 3.32Å; Y335-E337 PolarHBondContact O-N 3.31Å; Y335-A338 PolarHBondContact O-N 2.9Å; Y335-L339 HydrophobicContact CE2-CB 4.34Å; Y335-L339 WeakPolarHBondContact O-CB 2.82Å; Y335-L339 PolarHBondContact O-N 3.23Å; Y335-L347 HydrophobicContact CD1-CD1 3.76Å; Y335-L347 HydrophobicContact CE1-CD1 3.35Å; Y335-M370 HydrophobicContact CE2-CE 4.38Å; Y335-F372 HydrophobicContact CD2-CE1 4.35Å
336P94Very high92.3Very high9 Ų931.9 Ų31.96%0.05816%0.159CC..Hα-helixtrans-60.2-40.9178.6-25.835.9000113.5L36 L330 P331 F340 L347L36-P336 HydrophobicContact CD1-CB 3.46Å; L36-P336 VanDerWaalsContact CD1-CB 3.46Å; L36-P336 HydrophobicContact CD1-CG 4.01Å; L330-P336 HydrophobicContact CD1-CB 4.25Å; L330-P336 HydrophobicContact CD1-CG 3.85Å; L330-P336 HydrophobicContact CG-CG 4.14Å; P331-P336 HydrophobicContact CG-CG 3.92Å; P336-F340 WeakPolarHBondContact O-CB 3.44Å; P336-F340 PolarHBondContact O-N 2.77Å; P336-F340 VanDerWaalsContact O-N 3.07Å; P336-L347 HydrophobicContact CB-CD1 4.32Å; P336-L347 HydrophobicContact CG-CD1 4.4Å
337E94Very high92.1Very high70 Ų7032 Ų3233%0.32716%0.16SC..Hα-helixtrans-67.9-43.5177.5-175.5178-178.200111K334 Y335 F340 R341 I425K334-E337 VanDerWaalsContact CD-OE2 3.31Å; K334-E337 WeakPolarHBondContact CD-OE2 3.39Å; K334-E337 IonicContact NZ-OE2 2.85Å; K334-E337 PolarHBondContact NZ-OE2 2.97Å; K334-E337 PolarHBondContact O-N 2.99Å; Y335-E337 VanDerWaalsContact C-N 3.32Å; Y335-E337 PolarHBondContact O-N 3.31Å; E337-F340 PolarHBondContact O-N 2.92Å; E337-R341 WeakPolarHBondContact O-CG 3.5Å; E337-R341 PolarHBondContact O-N 2.73Å; E337-I425 HydrophobicContact CB-CD1 3.97Å; E337-I425 HydrophobicContact CG-CD1 3.68Å
338A95.7Very high92Very high0 Ų031.9 Ų31.90%016%0.159CC..Hα-helixtrans-61.9-46177.600000111.5K334 Y335 F340 R341 A342 M370 F372 I425K334-A338 WeakPolarHBondContact O-CB 3.17Å; K334-A338 PolarHBondContact O-N 2.82Å; Y335-A338 PolarHBondContact O-N 2.9Å; A338-F340 PolarHBondContact O-N 2.84Å; A338-R341 PolarHBondContact O-N 3.1Å; A338-A342 VanDerWaalsContact O-CB 3.3Å; A338-A342 WeakPolarHBondContact O-CB 3.4Å; A338-A342 PolarHBondContact O-N 3.43Å; A338-M370 VanDerWaalsContact C-SD 3.53Å; A338-M370 HydrophobicContact CB-CB 4.47Å; A338-M370 HydrophobicContact CB-CG 4.31Å; A338-M370 HydrophobicContact CB-SD 3.84Å; A338-F372 HydrophobicContact CB-CD1 4.27Å; A338-I425 HydrophobicContact CB-CD1 4.17Å; A338-I425 HydrophobicContact CB-CG1 4.35Å; A338-I425 HydrophobicContact CB-CG2 3.77Å
339L94.5Very high92Very high0 Ų031.3 Ų31.30%016%0.155CC..Hα-helixtrans-65-41.6179.5-172.770.6000111.9Y335 R341 A342 K343 I345 L347 M370Y335-L339 HydrophobicContact CE2-CB 4.34Å; Y335-L339 WeakPolarHBondContact O-CB 2.82Å; Y335-L339 PolarHBondContact O-N 3.23Å; L339-R341 VanDerWaalsContact C-N 3.32Å; L339-R341 PolarHBondContact O-N 2.89Å; L339-A342 PolarHBondContact O-N 3.36Å; L339-K343 HydrophobicContact CD1-CB 4.42Å; L339-K343 HydrophobicContact CD1-CD 4.26Å; L339-K343 HydrophobicContact CD1-CG 4.4Å; L339-K343 PolarHBondContact O-N 3.4Å; L339-I345 HydrophobicContact CD1-CD1 4.47Å; L339-I345 HydrophobicContact CD2-CB 4.03Å; L339-I345 HydrophobicContact CD2-CG2 3.72Å; L339-I345 HydrophobicContact CG-CB 4.07Å; L339-I345 HydrophobicContact CG-CG2 4.32Å; L339-L347 HydrophobicContact CD2-CD1 3.86Å; L339-L347 HydrophobicContact CD2-CD2 3.46Å; L339-L347 VanDerWaalsContact CD2-CD2 3.46Å; L339-L347 HydrophobicContact CD2-CG 3.67Å; L339-M370 HydrophobicContact CB-SD 4.28Å; L339-M370 HydrophobicContact CD1-CE 3.91Å; L339-M370 HydrophobicContact CD1-SD 4.31Å
340F93.1Very high92.2Very high62 Ų6231.5 Ų31.527%0.27216%0.157SC..Hα-helixtrans-61.5-41.5174.9-179.1-103.2000111.7P336 E337 A338 R344 I345 D346P336-F340 WeakPolarHBondContact O-CB 3.44Å; P336-F340 PolarHBondContact O-N 2.77Å; P336-F340 VanDerWaalsContact O-N 3.07Å; E337-F340 PolarHBondContact O-N 2.92Å; A338-F340 PolarHBondContact O-N 2.84Å; F340-R344 WeakPolarHBondContact O-CA 3.32Å; F340-R344 PolarHBondContact O-N 2.85Å; F340-I345 VanDerWaalsContact CA-O 3.3Å; F340-I345 WeakPolarHBondContact CA-O 3.41Å; F340-I345 PolarHBondContact N-O 3.42Å; F340-D346 HydrophobicContact CD2-CB 4.11Å; F340-D346 HydrophobicContact CE2-CB 4.4Å
341R93.1Very high92.3Very high127 Ų12731.6 Ų31.648%0.47916%0.157SC..Hα-helixtrans-68.8-38.4177.6-65.8-72.3-174.71701.9112.6E337 A338 L339 L398 L427E337-R341 WeakPolarHBondContact O-CG 3.5Å; E337-R341 PolarHBondContact O-N 2.73Å; A338-R341 PolarHBondContact O-N 3.1Å; L339-R341 VanDerWaalsContact C-N 3.32Å; L339-R341 PolarHBondContact O-N 2.89Å; R341-L398 HydrophobicContact CB-CD1 4.36Å; R341-L398 HydrophobicContact CG-CD1 3.93Å; R341-L427 HydrophobicContact CB-CD1 3.79Å
342A93.9Very high92.6Very high14 Ų1431.2 Ų31.212%0.11616%0.155CC..Hα-helixtrans-75.6-43.3-178.400000112.8A338 L339 P368 M370 L427A338-A342 VanDerWaalsContact O-CB 3.3Å; A338-A342 WeakPolarHBondContact O-CB 3.4Å; A338-A342 PolarHBondContact O-N 3.43Å; L339-A342 PolarHBondContact O-N 3.36Å; A342-P368 HydrophobicContact CB-CG 3.96Å; A342-P368 WeakPolarHBondContact O-CD 3.39Å; A342-M370 HydrophobicContact CB-CG 3.92Å; A342-M370 HydrophobicContact CB-SD 3.9Å; A342-L427 HydrophobicContact CB-CD2 4.03Å
343K91.7Very high93Very high35 Ų3530.4 Ų30.415%0.15214%0.142CC..Hα-helixtrans-127.81.9-167.2-66.3-160.2171.4-140.20115L339 I345 T365L339-K343 HydrophobicContact CD1-CB 4.42Å; L339-K343 HydrophobicContact CD1-CD 4.26Å; L339-K343 HydrophobicContact CD1-CG 4.4Å; L339-K343 PolarHBondContact O-N 3.4Å; K343-I345 HydrophobicContact CB-CB 4.46Å; K343-I345 HydrophobicContact CB-CD1 3.68Å; K343-I345 HydrophobicContact CB-CG1 3.91Å; K343-I345 HydrophobicContact CD-CD1 3.97Å; K343-I345 HydrophobicContact CG-CD1 4.47Å; K343-I345 PolarHBondContact O-N 2.6Å; K343-I345 VanDerWaalsContact O-N 3.12Å; K343-T365 PolarHBondContact NZ-O 3.26Å
344R89.6Confident93.4Very high169 Ų16928.7 Ų28.764%0.63813%0.125SC*.  trans55.924.7-172.5-54.6-60.1-175.7163.52.5113.4F340F340-R344 WeakPolarHBondContact O-CA 3.32Å; F340-R344 PolarHBondContact O-N 2.85Å
345I91.5Very high93.3Very high20 Ų2029 Ų2910%0.10313%0.127CC..  trans-91.2117175.1-66.5166.1000108.3L339 F340 K343 L347 M350 F361L339-I345 HydrophobicContact CD1-CD1 4.47Å; L339-I345 HydrophobicContact CD2-CB 4.03Å; L339-I345 HydrophobicContact CD2-CG2 3.72Å; L339-I345 HydrophobicContact CG-CB 4.07Å; L339-I345 HydrophobicContact CG-CG2 4.32Å; F340-I345 VanDerWaalsContact CA-O 3.3Å; F340-I345 WeakPolarHBondContact CA-O 3.41Å; F340-I345 PolarHBondContact N-O 3.42Å; K343-I345 HydrophobicContact CB-CB 4.46Å; K343-I345 HydrophobicContact CB-CD1 3.68Å; K343-I345 HydrophobicContact CB-CG1 3.91Å; K343-I345 HydrophobicContact CD-CD1 3.97Å; K343-I345 HydrophobicContact CG-CD1 4.47Å; K343-I345 PolarHBondContact O-N 2.6Å; K343-I345 VanDerWaalsContact O-N 3.12Å; I345-L347 HydrophobicContact CG2-CD2 3.97Å; I345-M350 HydrophobicContact CG2-CG 4.45Å; I345-F361 HydrophobicContact CD1-CD1 4Å; I345-F361 HydrophobicContact CD1-CE1 4.48Å; I345-F361 HydrophobicContact CG1-CD1 4.47Å; I345-F361 HydrophobicContact CG2-CD1 4.21Å; I345-F361 HydrophobicContact CG2-CE1 3.66Å
346D92.5Very high93.2Very high10 Ų1029.6 Ų29.65%0.05313%0.131CC..  trans-93.9103.8172.9-171.7-27.1000111.1S37 F340 E348 E349 M350S37-D346 WeakPolarHBondContact CB-OD2 3.38Å; S37-D346 PolarHBondContact OG-OD2 3Å; F340-D346 HydrophobicContact CD2-CB 4.11Å; F340-D346 HydrophobicContact CE2-CB 4.4Å; D346-E348 VanDerWaalsContact C-N 3.26Å; D346-E348 PolarHBondContact O-N 2.95Å; D346-E348 PolarHBondContact OD1-N 3.43Å; D346-E349 HydrophobicContact CB-CB 3.98Å; D346-E349 HydrophobicContact CB-CG 3.96Å; D346-E349 VanDerWaalsContact CB-OE2 3.29Å; D346-E349 WeakPolarHBondContact CB-OE2 3.45Å; D346-E349 PolarHBondContact O-N 2.82Å; D346-E349 PolarHBondContact OD1-N 2.94Å; D346-E349 VanDerWaalsContact OD1-N 3.16Å; D346-E349 WeakPolarHBondContact OD2-CG 3.43Å; D346-M350 WeakPolarHBondContact O-CB 3.21Å; D346-M350 WeakPolarHBondContact O-CG 3.33Å; D346-M350 PolarHBondContact O-N 3.25Å
347L92.5Very high93Very high3 Ų332.4 Ų32.42%0.01614%0.143CC..Hα-helixtrans-65.1-28-178.4-67.8-177.9000114F246 L307 L330 Y335 P336 L339 I345 H351F246-L347 HydrophobicContact CD2-CD2 4.44Å; L307-L347 HydrophobicContact CD1-CB 4.21Å; L307-L347 HydrophobicContact CD2-CB 4Å; L307-L347 HydrophobicContact CD2-CD1 4.11Å; L307-L347 HydrophobicContact CD2-CD2 3.88Å; L307-L347 HydrophobicContact CD2-CG 4.21Å; L330-L347 HydrophobicContact CD1-CB 4.37Å; Y335-L347 HydrophobicContact CD1-CD1 3.76Å; Y335-L347 HydrophobicContact CE1-CD1 3.35Å; P336-L347 HydrophobicContact CB-CD1 4.32Å; P336-L347 HydrophobicContact CG-CD1 4.4Å; L339-L347 HydrophobicContact CD2-CD1 3.86Å; L339-L347 HydrophobicContact CD2-CD2 3.46Å; L339-L347 VanDerWaalsContact CD2-CD2 3.46Å; L339-L347 HydrophobicContact CD2-CG 3.67Å; I345-L347 HydrophobicContact CG2-CD2 3.97Å; L347-H351 WeakPolarHBondContact O-CB 3.46Å; L347-H351 PolarHBondContact O-N 2.86Å; L347-H351 VanDerWaalsContact O-N 3.09Å
348E92.7Very high93Very high1 Ų132.7 Ų32.71%0.00516%0.158CC..Hα-helixtrans-73.8-45179.2175.8158-133.100110.2Y28 K30 F35 L36 L39 L118 D346 H351 L352Y28-E348 PolarHBondContact OH-OE1 3.25Å; K30-E348 IonicContact NZ-OE1 3.89Å; K30-E348 PolarHBondContact NZ-OE1 3.37Å; K30-E348 IonicContact NZ-OE2 3.68Å; F35-E348 WeakPolarHBondContact CA-OE2 3.42Å; F35-E348 HydrophobicContact CD1-CG 4.26Å; L36-E348 PolarHBondContact N-OE2 3.09Å; L39-E348 HydrophobicContact CD2-CG 4.45Å; L118-E348 HydrophobicContact CD1-CB 3.92Å; L118-E348 HydrophobicContact CD1-CG 3.55Å; D346-E348 VanDerWaalsContact C-N 3.26Å; D346-E348 PolarHBondContact O-N 2.95Å; D346-E348 PolarHBondContact OD1-N 3.43Å; E348-H351 PolarHBondContact O-N 3.34Å; E348-L352 WeakPolarHBondContact O-CG 3.43Å; E348-L352 PolarHBondContact O-N 3.11Å
349E93.4Very high92.9Very high5 Ų533.1 Ų33.12%0.02316%0.16CC..Hα-helixtrans-61.7-51172.4-69.5-179147.300112.2L39 E40 L41 L42 D346 H351 L352 L353L39-E349 WeakPolarHBondContact CA-OE1 3.28Å; L39-E349 HydrophobicContact CB-CG 4.41Å; L39-E349 HydrophobicContact CD2-CG 3.68Å; E40-E349 PolarHBondContact N-OE1 2.86Å; L41-E349 WeakPolarHBondContact CB-OE2 3.35Å; L41-E349 PolarHBondContact N-OE1 2.94Å; L42-E349 HydrophobicContact CB-CG 4.17Å; L42-E349 HydrophobicContact CD1-CB 4.36Å; L42-E349 PolarHBondContact N-OE1 2.99Å; D346-E349 HydrophobicContact CB-CB 3.98Å; D346-E349 HydrophobicContact CB-CG 3.96Å; D346-E349 VanDerWaalsContact CB-OE2 3.29Å; D346-E349 WeakPolarHBondContact CB-OE2 3.45Å; D346-E349 PolarHBondContact O-N 2.82Å; D346-E349 PolarHBondContact OD1-N 2.94Å; D346-E349 VanDerWaalsContact OD1-N 3.16Å; D346-E349 WeakPolarHBondContact OD2-CG 3.43Å; E349-H351 PolarHBondContact O-N 2.63Å; E349-L352 WeakPolarHBondContact O-CB 3.45Å; E349-L352 PolarHBondContact O-N 3.15Å; E349-L353 WeakPolarHBondContact O-CG 3.25Å; E349-L353 PolarHBondContact O-N 3.35Å
350M93.7Very high92.7Very high30 Ų3040 Ų4015%0.14820%0.197CC..Hα-helixtrans-58.4-39.9-177.9-67.9-62.2-84.200110.4F246 I345 D346 L352 L353 A354 V359 N360 F361F246-M350 HydrophobicContact CD2-CB 4.38Å; F246-M350 HydrophobicContact CE2-CB 3.58Å; F246-M350 VanDerWaalsContact CZ-C 3.49Å; F246-M350 HydrophobicContact CZ-CB 3.86Å; F246-M350 VanDerWaalsContact CZ-O 3.29Å; F246-M350 WeakPolarHBondContact CZ-O 3.25Å; I345-M350 HydrophobicContact CG2-CG 4.45Å; D346-M350 WeakPolarHBondContact O-CB 3.21Å; D346-M350 WeakPolarHBondContact O-CG 3.33Å; D346-M350 PolarHBondContact O-N 3.25Å; M350-L352 PolarHBondContact O-N 3.46Å; M350-L353 PolarHBondContact O-N 2.98Å; M350-A354 WeakPolarHBondContact O-CB 3.37Å; M350-A354 PolarHBondContact O-N 2.89Å; M350-V359 HydrophobicContact CE-CB 4Å; M350-V359 HydrophobicContact CE-CG2 4.25Å; M350-N360 WeakPolarHBondContact CE-O 3.38Å; M350-F361 HydrophobicContact CB-CZ 4.08Å; M350-F361 HydrophobicContact CE-CD1 4.12Å; M350-F361 HydrophobicContact CE-CD2 3.86Å; M350-F361 HydrophobicContact CE-CE1 3.77Å; M350-F361 HydrophobicContact CE-CE2 3.46Å; M350-F361 VanDerWaalsContact CE-CE2 3.46Å; M350-F361 HydrophobicContact CE-CG 4.16Å; M350-F361 HydrophobicContact CE-CZ 3.4Å; M350-F361 VanDerWaalsContact CE-CZ 3.4Å; M350-F361 HydrophobicContact CG-CE1 4.31Å; M350-F361 HydrophobicContact CG-CZ 4.09Å
351H93.9Very high92.5Very high14 Ų1438.3 Ų38.37%0.06519%0.189CC..Hα-helixtrans-61.8-43.1175.7-174.592.5000112.7L118 F246 G306 L307 L347 E348 E349 N355L118-H351 HydrophobicContact CD2-CB 4.15Å; L118-H351 WeakPolarHBondContact CD2-CD2 3.4Å; L118-H351 VanDerWaalsContact CD2-CG 3.49Å; F246-H351 HydrophobicContact CE2-CB 4.5Å; G306-H351 WeakPolarHBondContact CA-ND1 3.45Å; L307-H351 HydrophobicContact CD1-CB 4.29Å; L307-H351 HydrophobicContact CG-CB 4.25Å; L307-H351 PolarHBondContact N-ND1 3.22Å; L347-H351 WeakPolarHBondContact O-CB 3.46Å; L347-H351 PolarHBondContact O-N 2.86Å; L347-H351 VanDerWaalsContact O-N 3.09Å; E348-H351 PolarHBondContact O-N 3.34Å; E349-H351 PolarHBondContact O-N 2.63Å; H351-N355 PolarHBondContact O-ND2 2.87Å
352L93.9Very high92.1Very high0 Ų036.8 Ų36.80%019%0.191CC..Hα-helixtrans-62.8-45.8176.2-68.6170.5000111.1Y28 L42 F44 I116 E348 E349 M350 N355Y28-L352 HydrophobicContact CD1-CD1 4.4Å; Y28-L352 HydrophobicContact CD1-CD2 3.93Å; Y28-L352 HydrophobicContact CD2-CD2 3.68Å; Y28-L352 HydrophobicContact CE1-CD1 4.4Å; Y28-L352 HydrophobicContact CE1-CD2 4.24Å; Y28-L352 HydrophobicContact CE2-CD2 3.98Å; Y28-L352 HydrophobicContact CG-CD2 3.67Å; L42-L352 HydrophobicContact CD1-CB 4.07Å; L42-L352 HydrophobicContact CD1-CD1 4.31Å; L42-L352 HydrophobicContact CD2-CD1 4.05Å; F44-L352 HydrophobicContact CE1-CB 4.36Å; I116-L352 HydrophobicContact CB-CD2 4.49Å; I116-L352 HydrophobicContact CD1-CD2 4.11Å; I116-L352 HydrophobicContact CG2-CD2 4.11Å; E348-L352 WeakPolarHBondContact O-CG 3.43Å; E348-L352 PolarHBondContact O-N 3.11Å; E349-L352 WeakPolarHBondContact O-CB 3.45Å; E349-L352 PolarHBondContact O-N 3.15Å; M350-L352 PolarHBondContact O-N 3.46Å; L352-N355 PolarHBondContact O-N 3.39Å
353L93.9Very high91.5Very high16 Ų1640.5 Ų40.58%0.08421%0.209CC..Hα-helixtrans-65.1-44.2-178.2-67.7170.7000112.6L42 R43 E349 M350 N355 V356 H357 V359L42-L353 HydrophobicContact CD1-CD1 4.31Å; L42-L353 HydrophobicContact CD1-CD2 3.73Å; L42-L353 HydrophobicContact CD1-CG 3.72Å; R43-L353 WeakPolarHBondContact O-CD2 3.21Å; E349-L353 WeakPolarHBondContact O-CG 3.25Å; E349-L353 PolarHBondContact O-N 3.35Å; M350-L353 PolarHBondContact O-N 2.98Å; L353-N355 PolarHBondContact O-N 2.85Å; L353-V356 VanDerWaalsContact O-CG2 3.28Å; L353-V356 WeakPolarHBondContact O-CG2 3.43Å; L353-V356 PolarHBondContact O-N 2.99Å; L353-H357 WeakPolarHBondContact CD2-CE1 3.49Å; L353-H357 WeakPolarHBondContact CD2-NE2 3.48Å; L353-H357 PolarHBondContact O-N 3.18Å; L353-H357 VanDerWaalsContact O-O 3.1Å; L353-V359 HydrophobicContact CB-CG1 3.54Å
354A94.3Very high90.8Very high1 Ų143.8 Ų43.81%0.00824%0.236CC..Hα-helixtrans-63.4-16.7-177.300000114.9F246 Q248 N305 M350 H357 V359F246-A354 HydrophobicContact CE1-CB 3.64Å; F246-A354 HydrophobicContact CZ-CB 3.52Å; Q248-A354 PolarHBondContact NE2-O 3.4Å; N305-A354 HydrophobicContact CB-CB 4.4Å; N305-A354 WeakPolarHBondContact CB-O 3.44Å; N305-A354 PolarHBondContact ND2-O 2.76Å; M350-A354 WeakPolarHBondContact O-CB 3.37Å; M350-A354 PolarHBondContact O-N 2.89Å; A354-H357 WeakPolarHBondContact CA-O 3.36Å; A354-V359 HydrophobicContact CB-CG1 4.16Å; A354-V359 HydrophobicContact CB-CG2 3.8Å
355N92.8Very high90.1Very high19 Ų1939.2 Ų39.210%0.10223%0.227CC..THydrogen-bonded Turntrans-86.4-15.6175.5-79.3-85.8000112.7Q114 I116 N305 H351 L352 L353Q114-N355 VanDerWaalsContact CD-O 3.25Å; Q114-N355 HydrophobicContact CG-CB 4.35Å; Q114-N355 VanDerWaalsContact CG-O 3.24Å; Q114-N355 WeakPolarHBondContact CG-O 3.2Å; Q114-N355 PolarHBondContact NE2-O 3.46Å; I116-N355 HydrophobicContact CD1-CB 3.41Å; I116-N355 VanDerWaalsContact CD1-CB 3.41Å; I116-N355 HydrophobicContact CG1-CB 4.28Å; N305-N355 PolarHBondContact O-ND2 3.27Å; H351-N355 PolarHBondContact O-ND2 2.87Å; L352-N355 PolarHBondContact O-N 3.39Å; L353-N355 PolarHBondContact O-N 2.85Å
356V91.7Very high89.5Confident16 Ų1643.6 Ų43.610%0.09726%0.26CS..THydrogen-bonded Turntrans-117.4-22.2-176.9-62.20000113.8L26 F44 L48 Q114 L353L26-V356 HydrophobicContact CD1-CG1 4.01Å; F44-V356 HydrophobicContact CD1-CG2 4.27Å; L48-V356 HydrophobicContact CD1-CG1 4.06Å; L48-V356 HydrophobicContact CD2-CB 4.23Å; L48-V356 HydrophobicContact CD2-CG1 3.84Å; L48-V356 HydrophobicContact CD2-CG2 4.28Å; Q114-V356 HydrophobicContact CG-CG1 4.29Å; L353-V356 VanDerWaalsContact O-CG2 3.28Å; L353-V356 WeakPolarHBondContact O-CG2 3.43Å; L353-V356 PolarHBondContact O-N 2.99Å
357H91.5Very high89.3Confident68 Ų6844 Ų4432%0.31527%0.266SS..SBendtrans-156.5172.3172.657.6-126.9000112.6P45 Q248 L353 A354P45-H357 WeakPolarHBondContact CG-ND1 3.48Å; Q248-H357 PolarHBondContact NE2-O 3.28Å; L353-H357 WeakPolarHBondContact CD2-CE1 3.49Å; L353-H357 WeakPolarHBondContact CD2-NE2 3.48Å; L353-H357 PolarHBondContact O-N 3.18Å; L353-H357 VanDerWaalsContact O-O 3.1Å; A354-H357 WeakPolarHBondContact CA-O 3.36Å
358A93.6Very high89.5Confident77 Ų7745 Ų4564%0.63627%0.273SS*.  trans-65.7132.3173.500000111.4
359V93.4Very high89.8Confident9 Ų947.2 Ų47.26%0.05528%0.283CS..  trans-114.5153.4175.8-620000110.3F246 L253 M350 L353 A354 F361F246-V359 HydrophobicContact CD1-CG2 4.48Å; F246-V359 HydrophobicContact CE1-CG2 3.6Å; F246-V359 HydrophobicContact CZ-CG2 4.14Å; L253-V359 HydrophobicContact CD1-CG2 3.94Å; L253-V359 WeakPolarHBondContact CD1-O 3.5Å; M350-V359 HydrophobicContact CE-CB 4Å; M350-V359 HydrophobicContact CE-CG2 4.25Å; L353-V359 HydrophobicContact CB-CG1 3.54Å; A354-V359 HydrophobicContact CB-CG1 4.16Å; A354-V359 HydrophobicContact CB-CG2 3.8Å; V359-F361 HydrophobicContact CG2-CE2 4.17Å
360N89.9Confident90Very high145 Ų14547 Ų4778%0.77528%0.281SS*.  trans-126.4145.6176.1-71.4-46.5000110.2M350M350-N360 WeakPolarHBondContact CE-O 3.38Å
361F89Confident90.2Very high25 Ų2545.6 Ų45.611%0.1127%0.274CS..  trans-108.3129.5173-73.1-101.2000108.4F246 L253 H254 I345 M350 V359 N363F246-F361 HydrophobicContact CB-CE1 4.47Å; F246-F361 HydrophobicContact CB-CE2 4.01Å; F246-F361 HydrophobicContact CB-CZ 3.75Å; F246-F361 HydrophobicContact CD1-CD2 4.47Å; F246-F361 AromaticContact CD1-CE2 3.32Å; F246-F361 HydrophobicContact CD1-CE2 3.32Å; F246-F361 AromaticContact CD1-CZ 3.6Å; F246-F361 HydrophobicContact CD1-CZ 3.6Å; F246-F361 HydrophobicContact CD2-CE2 4.17Å; F246-F361 AromaticContact CD2-CZ 3.54Å; F246-F361 HydrophobicContact CD2-CZ 3.54Å; F246-F361 AromaticContact CE1-CE2 3.76Å; F246-F361 HydrophobicContact CE1-CE2 3.76Å; F246-F361 HydrophobicContact CE1-CZ 4.04Å; F246-F361 AromaticContact CE2-CZ 3.99Å; F246-F361 HydrophobicContact CE2-CZ 3.99Å; F246-F361 HydrophobicContact CG-CE1 4.38Å; F246-F361 AromaticContact CG-CE2 3.55Å; F246-F361 HydrophobicContact CG-CE2 3.55Å; F246-F361 AromaticContact CG-CZ 3.31Å; F246-F361 HydrophobicContact CG-CZ 3.31Å; F246-F361 HydrophobicContact CZ-CE2 4.33Å; F246-F361 HydrophobicContact CZ-CZ 4.21Å; L253-F361 HydrophobicContact CB-CD2 3.71Å; L253-F361 HydrophobicContact CB-CE2 4.05Å; L253-F361 HydrophobicContact CD1-CD2 4.32Å; L253-F361 HydrophobicContact CD1-CE2 4.34Å; H254-F361 HydrophobicContact CB-CB 4.47Å; H254-F361 HydrophobicContact CB-CD1 3.72Å; H254-F361 HydrophobicContact CB-CD2 4.27Å; H254-F361 HydrophobicContact CB-CE1 3.96Å; H254-F361 HydrophobicContact CB-CG 3.89Å; H254-F361 HydrophobicContact CB-CZ 4.37Å; H254-F361 AromaticContact CG-CD1 3.96Å; I345-F361 HydrophobicContact CD1-CD1 4Å; I345-F361 HydrophobicContact CD1-CE1 4.48Å; I345-F361 HydrophobicContact CG1-CD1 4.47Å; I345-F361 HydrophobicContact CG2-CD1 4.21Å; I345-F361 HydrophobicContact CG2-CE1 3.66Å; M350-F361 HydrophobicContact CB-CZ 4.08Å; M350-F361 HydrophobicContact CE-CD1 4.12Å; M350-F361 HydrophobicContact CE-CD2 3.86Å; M350-F361 HydrophobicContact CE-CE1 3.77Å; M350-F361 HydrophobicContact CE-CE2 3.46Å; M350-F361 VanDerWaalsContact CE-CE2 3.46Å; M350-F361 HydrophobicContact CE-CG 4.16Å; M350-F361 HydrophobicContact CE-CZ 3.4Å; M350-F361 VanDerWaalsContact CE-CZ 3.4Å; M350-F361 HydrophobicContact CG-CE1 4.31Å; M350-F361 HydrophobicContact CG-CZ 4.09Å; V359-F361 HydrophobicContact CG2-CE2 4.17Å; F361-N363 VanDerWaalsContact C-N 3.35Å; F361-N363 PolarHBondContact O-N 3.22Å
362D84.2Confident90.4Very high96 Ų9645 Ų4551%0.51327%0.272SS..  trans-74.195164.2179.817.1000109S364D362-S364 VanDerWaalsContact C-N 3.31Å; D362-S364 WeakPolarHBondContact OD1-CB 3.49Å; D362-S364 PolarHBondContact OD1-N 3.2Å; D362-S364 PolarHBondContact OD1-OG 3.25Å; D362-S364 PolarHBondContact OD2-OG 3.26Å
363N82.2Confident90.6Very high91 Ų9145 Ų4549%0.48727%0.272SS..  trans-891.9173.9-66.9-44.3000112.3L253 H254 F361 T365L253-N363 PolarHBondContact O-ND2 3.34Å; H254-N363 PolarHBondContact ND1-OD1 3.38Å; F361-N363 VanDerWaalsContact C-N 3.35Å; F361-N363 PolarHBondContact O-N 3.22Å; N363-T365 VanDerWaalsContact C-N 3.3Å; N363-T365 PolarHBondContact O-N 2.72Å
364S77.4Confident90.8Very high104 Ų10445.2 Ų45.273%0.72727%0.272SS*.SBendtrans-72.2-23.3-177.573.80000113.2D362D362-S364 VanDerWaalsContact C-N 3.31Å; D362-S364 WeakPolarHBondContact OD1-CB 3.49Å; D362-S364 PolarHBondContact OD1-N 3.2Å; D362-S364 PolarHBondContact OD1-OG 3.25Å; D362-S364 PolarHBondContact OD2-OG 3.26Å
365T73.8Confident91Very high73 Ų7345.8 Ų45.845%0.44827%0.274SS..SBendtrans-94.4120.7178.956.60000111.7K343 N363 G367K343-T365 PolarHBondContact NZ-O 3.26Å; N363-T365 VanDerWaalsContact C-N 3.3Å; N363-T365 PolarHBondContact O-N 2.72Å; T365-G367 PolarHBondContact O-N 3.07Å
366S78.8Confident91.2Very high112 Ų11245 Ų4578%0.78327%0.27SS*.  trans-74.780.5163.858.10000108.8
367G89.4Confident91.5Very high18 Ų1847 Ų4719%0.18628%0.275CS..PPolyproline II helixtrans-58.1165.8164.200000111.4T365T365-G367 PolarHBondContact O-N 3.07Å
368P96.8Very high91.7Very high25 Ų2547.5 Ų47.516%0.16228%0.276CS..PPolyproline II helixtrans-58.7147.7-178.126.3-35.6000111.8A342 L427 N428 E429A342-P368 HydrophobicContact CB-CG 3.96Å; A342-P368 WeakPolarHBondContact O-CD 3.39Å; P368-L427 HydrophobicContact CB-CB 4.17Å; P368-L427 HydrophobicContact CG-CB 4.15Å; P368-N428 CarbonylContact C-O 3.52Å; P368-N428 WeakPolarHBondContact CA-O 3.19Å; P368-E429 HydrophobicContact CB-CG 4.31Å
369F97.9Very high91.9Very high48 Ų4846 Ų4621%0.21127%0.265CS..EExtended strand (participates in β ladder)trans-63.1146.8168.4-63.9-76.6000110.4E278 P280 L427 N428 E429 Y431 L434E278-F369 HydrophobicContact CG-CD1 4.43Å; P280-F369 HydrophobicContact CB-CE1 3.77Å; P280-F369 HydrophobicContact CB-CZ 4.11Å; F369-L427 WeakPolarHBondContact O-CA 3.38Å; F369-N428 WeakPolarHBondContact CB-O 3.41Å; F369-N428 PolarHBondContact N-O 2.75Å; F369-N428 PolarHBondContact O-N 2.92Å; F369-N428 VanDerWaalsContact O-N 3.14Å; F369-E429 WeakPolarHBondContact CE2-O 3.5Å; F369-Y431 HydrophobicContact CB-CD2 4.34Å; F369-Y431 HydrophobicContact CD1-CD2 4.12Å; F369-Y431 HydrophobicContact CD2-CD2 4.29Å; F369-Y431 AromaticContact CG-CD2 3.99Å; F369-Y431 HydrophobicContact CG-CD2 3.99Å; F369-L434 HydrophobicContact CB-CD2 3.44Å; F369-L434 VanDerWaalsContact CB-CD2 3.44Å
370M98.2Very high92.1Very high0 Ų046.7 Ų46.70%027%0.273CS..EExtended strand (participates in β ladder)trans-112.7137-175.9-61.4172.5-79.500111.9K256 F258 E278 Y335 A338 L339 A342 L427K256-M370 HydrophobicContact CD-CE 4.32Å; K256-M370 HydrophobicContact CG-CE 4.15Å; F258-M370 HydrophobicContact CE1-CB 4.17Å; F258-M370 HydrophobicContact CZ-CB 4.41Å; F258-M370 HydrophobicContact CZ-CE 4.02Å; E278-M370 WeakPolarHBondContact CB-O 3.06Å; E278-M370 PolarHBondContact N-O 3.36Å; E278-M370 WeakPolarHBondContact OE2-CE 3.35Å; E278-M370 PolarHBondContact OE2-N 3.04Å; Y335-M370 HydrophobicContact CE2-CE 4.38Å; A338-M370 VanDerWaalsContact C-SD 3.53Å; A338-M370 HydrophobicContact CB-CB 4.47Å; A338-M370 HydrophobicContact CB-CG 4.31Å; A338-M370 HydrophobicContact CB-SD 3.84Å; L339-M370 HydrophobicContact CB-SD 4.28Å; L339-M370 HydrophobicContact CD1-CE 3.91Å; L339-M370 HydrophobicContact CD1-SD 4.31Å; A342-M370 HydrophobicContact CB-CG 3.92Å; A342-M370 HydrophobicContact CB-SD 3.9Å; M370-L427 HydrophobicContact CB-CD2 4.27Å; M370-L427 HydrophobicContact CG-CD2 3.62Å
371A98.5Very high92.6Very high0 Ų045.6 Ų45.60%026%0.258CS..EExtended strand (participates in β ladder)trans-130.2151.4157.700000110.3K276 L277 F373 I425 L426 L434 Y438K276-A371 CarbonylContact O-C 3.55Å; K276-A371 WeakPolarHBondContact O-CA 3.11Å; K276-A371 WeakPolarHBondContact O-CB 3.39Å; L277-A371 HydrophobicContact CD1-CB 3.95Å; A371-F373 HydrophobicContact CB-CE2 4.29Å; A371-I425 CarbonylContact O-C 3.48Å; A371-I425 WeakPolarHBondContact O-CA 3.36Å; A371-L426 HydrophobicContact CB-CB 4.3Å; A371-L426 PolarHBondContact N-O 2.99Å; A371-L426 PolarHBondContact O-N 3.19Å; A371-L434 HydrophobicContact CB-CD1 3.98Å; A371-L434 HydrophobicContact CB-CD2 4.32Å; A371-L434 HydrophobicContact CB-CG 4.28Å; A371-Y438 HydrophobicContact CB-CD2 3.79Å; A371-Y438 HydrophobicContact CB-CE2 4.47Å
372F98Very high93Very high2 Ų244.5 Ų44.51%0.00925%0.253CS..EExtended strand (participates in β ladder)trans-150.2150.717753.4-96.5000113.8Y244 F258 C275 K276 K334 Y335 A338 I424 I425Y244-F372 HydrophobicContact CE2-CZ 4.38Å; F258-F372 AromaticContact CD1-CE1 3.92Å; F258-F372 HydrophobicContact CD1-CE1 3.92Å; F258-F372 HydrophobicContact CD1-CZ 4.34Å; F258-F372 HydrophobicContact CE1-CD1 4.24Å; F258-F372 AromaticContact CE1-CE1 3.51Å; F258-F372 HydrophobicContact CE1-CE1 3.51Å; F258-F372 HydrophobicContact CE1-CZ 4.32Å; F258-F372 AromaticContact CZ-CE1 3.97Å; F258-F372 HydrophobicContact CZ-CE1 3.97Å; C275-F372 WeakPolarHBondContact CA-O 3.22Å; K276-F372 HydrophobicContact CB-CD2 4.04Å; K276-F372 HydrophobicContact CB-CE1 4.14Å; K276-F372 HydrophobicContact CB-CE2 3.58Å; K276-F372 HydrophobicContact CB-CZ 3.63Å; K276-F372 HydrophobicContact CD-CE2 3.54Å; K276-F372 HydrophobicContact CD-CZ 3.62Å; K276-F372 HydrophobicContact CG-CD2 4.25Å; K276-F372 HydrophobicContact CG-CE2 3.57Å; K276-F372 HydrophobicContact CG-CZ 3.94Å; K276-F372 PolarHBondContact N-O 3.45Å; K276-F372 PolarHBondContact O-N 3.06Å; K334-F372 HydrophobicContact CB-CB 3.81Å; K334-F372 HydrophobicContact CB-CD2 3.89Å; K334-F372 HydrophobicContact CB-CG 3.86Å; Y335-F372 HydrophobicContact CD2-CE1 4.35Å; A338-F372 HydrophobicContact CB-CD1 4.27Å; F372-I424 CarbonylContact C-O 3.56Å; F372-I424 WeakPolarHBondContact CA-O 3.14Å; F372-I424 WeakPolarHBondContact CB-O 3.47Å; F372-I425 HydrophobicContact CB-CG1 4.11Å
373F97.8Very high93.7Very high0 Ų041.8 Ų41.80%024%0.242CC..EExtended strand (participates in β ladder)trans-130.4146.5-168.9-55.9-99.9000110.7V274 C275 A371 Y375 S423 I424 L426 Y438 L441 V442V274-F373 CarbonylContact O-C 3.56Å; V274-F373 VanDerWaalsContact O-CA 3.25Å; V274-F373 WeakPolarHBondContact O-CA 3.48Å; C275-F373 HydrophobicContact CB-CD1 4.01Å; C275-F373 HydrophobicContact CB-CE1 4.06Å; C275-F373 VanDerWaalsContact SG-CD1 3.55Å; A371-F373 HydrophobicContact CB-CE2 4.29Å; F373-Y375 HydrophobicContact CB-CD2 4.12Å; F373-Y375 HydrophobicContact CB-CE2 3.6Å; F373-Y375 HydrophobicContact CD1-CE2 4.15Å; F373-Y375 HydrophobicContact CG-CE2 4.13Å; F373-S423 VanDerWaalsContact O-CA 3.24Å; F373-S423 WeakPolarHBondContact O-CA 3.27Å; F373-I424 HydrophobicContact CB-CB 4.14Å; F373-I424 HydrophobicContact CD2-CB 4.06Å; F373-I424 HydrophobicContact CD2-CG2 4.29Å; F373-I424 HydrophobicContact CG-CB 4.47Å; F373-I424 PolarHBondContact N-O 3.35Å; F373-I424 PolarHBondContact O-N 3.01Å; F373-L426 HydrophobicContact CE2-CD1 3.97Å; F373-L426 HydrophobicContact CE2-CG 4.06Å; F373-Y438 AromaticContact CE1-CD2 3.84Å; F373-Y438 HydrophobicContact CE1-CD2 3.84Å; F373-Y438 AromaticContact CE1-CE2 3.94Å; F373-Y438 HydrophobicContact CE1-CE2 3.94Å; F373-Y438 HydrophobicContact CE2-CD2 4.06Å; F373-Y438 AromaticContact CZ-CD2 3.23Å; F373-Y438 HydrophobicContact CZ-CD2 3.23Å; F373-Y438 AromaticContact CZ-CE2 3.77Å; F373-Y438 HydrophobicContact CZ-CE2 3.77Å; F373-Y438 AromaticContact CZ-CG 3.97Å; F373-Y438 HydrophobicContact CZ-CG 3.97Å; F373-L441 HydrophobicContact CD1-CB 4.21Å; F373-L441 HydrophobicContact CD2-CD1 3.83Å; F373-L441 HydrophobicContact CE1-CB 3.66Å; F373-L441 HydrophobicContact CE1-CD1 4.32Å; F373-L441 HydrophobicContact CE2-CB 4.31Å; F373-L441 HydrophobicContact CE2-CD1 3.48Å; F373-L441 VanDerWaalsContact CE2-CD1 3.48Å; F373-L441 HydrophobicContact CG-CD1 4.4Å; F373-L441 HydrophobicContact CZ-CB 3.71Å; F373-L441 HydrophobicContact CZ-CD1 3.75Å; F373-L441 HydrophobicContact CZ-CG 4.37Å; F373-V442 HydrophobicContact CE1-CG2 3.96Å
374R97.3Very high94.4Very high21 Ų2139.4 Ų39.48%0.07923%0.232CC..EExtended strand (participates in β ladder)trans-137.1104.8169-53.1173.965.1-146.4-10.7107.6F267 P273 V274 L415 E420F267-R374 HydrophobicContact CE2-CB 4.39Å; F267-R374 WeakPolarHBondContact CE2-O 3.35Å; P273-R374 CarbonylContact C-O 3.58Å; P273-R374 VanDerWaalsContact CA-O 3.23Å; P273-R374 WeakPolarHBondContact CA-O 3.28Å; V274-R374 HydrophobicContact CB-CB 4.24Å; V274-R374 PolarHBondContact N-O 2.73Å; V274-R374 PolarHBondContact O-N 3.23Å; R374-L415 PolarHBondContact NH1-O 2.99Å; R374-L415 VanDerWaalsContact NH1-O 3.15Å; R374-L415 PolarHBondContact NH2-O 2.86Å; R374-E420 HydrophobicContact CB-CG 4.37Å; R374-E420 IonicContact CZ-OE2 3.74Å; R374-E420 VanDerWaalsContact CZ-OE2 3.27Å; R374-E420 IonicContact NE-OE2 2.73Å; R374-E420 PolarHBondContact NE-OE2 3.46Å; R374-E420 IonicContact NH2-OE2 3.66Å; R374-E420 PolarHBondContact NH2-OE2 3.37Å
375Y98Very high95.4Very high13 Ų1336.9 Ų36.95%0.05121%0.21CC..EExtended strand (participates in β ladder)trans-84.3130.8178.2-70.2-98000109.6P273 F373 E420 A421 I422 I424 L441 Y445 P447P273-Y375 HydrophobicContact CB-CD1 3.77Å; P273-Y375 HydrophobicContact CB-CD2 4.41Å; P273-Y375 HydrophobicContact CB-CE1 3.84Å; P273-Y375 HydrophobicContact CB-CE2 4.46Å; P273-Y375 HydrophobicContact CB-CG 4.05Å; P273-Y375 HydrophobicContact CG-CD1 4.1Å; P273-Y375 HydrophobicContact CG-CE1 3.81Å; F373-Y375 HydrophobicContact CB-CD2 4.12Å; F373-Y375 HydrophobicContact CB-CE2 3.6Å; F373-Y375 HydrophobicContact CD1-CE2 4.15Å; F373-Y375 HydrophobicContact CG-CE2 4.13Å; Y375-E420 WeakPolarHBondContact O-CA 3.36Å; Y375-A421 PolarHBondContact O-N 2.99Å; Y375-I422 HydrophobicContact CD2-CG2 3.77Å; Y375-I422 HydrophobicContact CG-CG2 4.01Å; Y375-I422 PolarHBondContact N-O 2.77Å; Y375-I424 HydrophobicContact CE2-CD1 4.08Å; Y375-L441 VanDerWaalsContact OH-C 3.27Å; Y375-L441 PolarHBondContact OH-O 3.17Å; Y375-Y445 HydrophobicContact CD2-CE1 4.48Å; Y375-Y445 HydrophobicContact CE1-CD1 4.05Å; Y375-Y445 AromaticContact CE2-CD1 3.94Å; Y375-Y445 HydrophobicContact CE2-CD1 3.94Å; Y375-Y445 HydrophobicContact CE2-CE1 4Å; Y375-Y445 AromaticContact CZ-CD1 3.57Å; Y375-P447 HydrophobicContact CD1-CG 3.61Å; Y375-P447 HydrophobicContact CD2-CG 4.5Å; Y375-P447 HydrophobicContact CE1-CG 4.29Å; Y375-P447 HydrophobicContact CG-CG 3.75Å
376P97.4Very high96.6Very high3 Ų336.7 Ų36.72%0.01921%0.205CC..EExtended strand (participates in β ladder)trans-71.1153.8178.126.9-31.6000111F267 R271 P412 H419 F448F267-P376 HydrophobicContact CD1-CB 4.33Å; F267-P376 HydrophobicContact CD2-CB 3.92Å; F267-P376 HydrophobicContact CD2-CG 4.15Å; F267-P376 HydrophobicContact CE1-CB 3.98Å; F267-P376 VanDerWaalsContact CE2-CA 3.49Å; F267-P376 HydrophobicContact CE2-CB 3.54Å; F267-P376 HydrophobicContact CE2-CG 4.1Å; F267-P376 HydrophobicContact CG-CB 4.33Å; F267-P376 HydrophobicContact CZ-CB 3.58Å; R271-P376 VanDerWaalsContact C-CG 3.42Å; R271-P376 HydrophobicContact CB-CG 4.26Å; R271-P376 WeakPolarHBondContact O-CG 3.1Å; P376-P412 HydrophobicContact CB-CB 4.34Å; P376-P412 HydrophobicContact CB-CG 3.9Å; P376-H419 WeakPolarHBondContact CA-O 3.38Å; P376-F448 WeakPolarHBondContact O-CE1 3.27Å; P376-F448 WeakPolarHBondContact O-CZ 2.88Å
377R97.7Very high97.4Very high56 Ų5635.2 Ų35.221%0.21119%0.185CC..PPolyproline II helixtrans-62.6149.6161.5-67.8178.5176-157.8-7.5109.5R402 I403 L409 P412 R418 H419 E420 A421R377-R402 PolarHBondContact NH2-O 3.31Å; R377-I403 HydrophobicContact CG-CG2 4.27Å; R377-L409 HydrophobicContact CB-CB 4.41Å; R377-L409 HydrophobicContact CB-CD1 4.16Å; R377-L409 HydrophobicContact CG-CD1 4.16Å; R377-P412 VanDerWaalsContact O-CD 3.24Å; R377-P412 WeakPolarHBondContact O-CD 3.24Å; R377-R418 VanDerWaalsContact CD-O 3.26Å; R377-R418 WeakPolarHBondContact CD-O 3.2Å; R377-R418 PolarHBondContact NE-O 3.34Å; R377-R418 PolarHBondContact NH1-O 3.38Å; R377-H419 PolarHBondContact N-O 3.36Å; R377-E420 PolarHBondContact NE-O 3.1Å; R377-A421 HydrophobicContact CG-CB 4.19Å
378K96.8Very high97.6Very high79 Ų7934.4 Ų34.434%0.34318%0.176SC..  trans-122.6140172.3-63.6176.6-176.4176.20106.8L409 F448K378-L409 VanDerWaalsContact O-CB 3.28Å; K378-L409 WeakPolarHBondContact O-CB 3.36Å; K378-F448 HydrophobicContact CB-CE2 3.95Å; K378-F448 HydrophobicContact CB-CZ 4Å; K378-F448 HydrophobicContact CD-CZ 4.31Å; K378-F448 HydrophobicContact CG-CE2 4.32Å; K378-F448 HydrophobicContact CG-CZ 3.93Å
379A97.7Very high97.2Very high47 Ų4738.3 Ų38.339%0.38819%0.193SC..SBendtrans-61.9144.3-178.100000111.9L409 N411 T450A379-L409 WeakPolarHBondContact CA-O 3.27Å; A379-N411 PolarHBondContact N-OD1 2.78Å; A379-T450 PolarHBondContact O-OG1 2.85Å; A379-T450 VanDerWaalsContact O-OG1 3.09Å
380G98.2Very high96.9Very high22 Ų2239.7 Ų39.723%0.22721%0.208CC..EExtended strand (participates in β ladder)trans125-177.3-178.900000112.1L409 E451G380-L409 PolarHBondContact N-O 3.1Å; G380-L409 PolarHBondContact O-N 3.39Å; G380-E451 WeakPolarHBondContact CA-O 3.42Å
381R98.6Very high96.7Very high123 Ų12340.9 Ų40.946%0.46422%0.215SC..EExtended strand (participates in β ladder)trans-91.9127.2177.1-177.6180-61.3-79.45.4110S383 G406 D407 T450 E451R381-S383 PolarHBondContact O-N 2.92Å; R381-S383 VanDerWaalsContact O-N 3.13Å; R381-G406 PolarHBondContact NH1-O 2.99Å; R381-D407 CarbonylContact C-O 3.58Å; R381-D407 WeakPolarHBondContact CA-O 3.15Å; R381-T450 CarbonylContact O-C 3.52Å; R381-T450 WeakPolarHBondContact O-CA 3.3Å; R381-E451 PolarHBondContact N-O 3.46Å; R381-E451 PolarHBondContact O-N 3.34Å
382V98.7Very high96.5Very high1 Ų148.5 Ų48.51%0.00626%0.255CS..EExtended strand (participates in β ladder)trans-62.8115.3177.8-177.60000109.9L385 I403 S404 G406 D407 L409V382-L385 HydrophobicContact CG1-CD2 3.68Å; V382-L385 HydrophobicContact CG1-CG 4.33Å; V382-I403 HydrophobicContact CG1-CD1 4.37Å; V382-I403 HydrophobicContact CG2-CD1 3.98Å; V382-S404 WeakPolarHBondContact CB-O 3.42Å; V382-G406 PolarHBondContact O-N 3.46Å; V382-D407 HydrophobicContact CG2-CB 4.06Å; V382-D407 PolarHBondContact N-O 3.06Å; V382-L409 HydrophobicContact CG2-CD1 3.45Å; V382-L409 VanDerWaalsContact CG2-CD1 3.45Å; V382-L409 HydrophobicContact CG2-CD2 4.41Å; V382-L409 HydrophobicContact CG2-CG 3.78Å
383S98.3Very high96.4Very high39 Ų3949.8 Ų49.827%0.27326%0.262SS..EExtended strand (participates in β ladder)trans-101.5-27.118058.60000113.1R381 L449 E451R381-S383 PolarHBondContact O-N 2.92Å; R381-S383 VanDerWaalsContact O-N 3.13Å; S383-L449 PolarHBondContact N-O 2.88Å; S383-L449 PolarHBondContact OG-O 2.71Å; S383-E451 WeakPolarHBondContact CB-OE1 3.5Å
384S98.1Very high96.4Very high42 Ų4256.5 Ų56.529%0.29429%0.287SS..EExtended strand (participates in β ladder)trans-149.8155.4179.260.40000112.2F448 L449S384-F448 VanDerWaalsContact O-CA 3.24Å; S384-F448 WeakPolarHBondContact O-CA 3.47Å; S384-F448 WeakPolarHBondContact O-CB 3.43Å; S384-L449 PolarHBondContact O-N 3.02Å; S384-L449 WeakPolarHBondContact OG-CB 3.33Å; S384-L449 WeakPolarHBondContact OG-CG 3.27Å
385L98.2Very high96.5Very high50 Ų5056 Ų5626%0.26229%0.287SS..EExtended strand (participates in β ladder)trans-128128.9171.9-58177.4000108.3V382 W401 I403 I405 P447 F448V382-L385 HydrophobicContact CG1-CD2 3.68Å; V382-L385 HydrophobicContact CG1-CG 4.33Å; L385-W401 HydrophobicContact CB-CH2 4.23Å; L385-W401 HydrophobicContact CB-CZ2 4.29Å; L385-W401 HydrophobicContact CD2-CE3 3.98Å; L385-W401 HydrophobicContact CD2-CH2 4.06Å; L385-W401 HydrophobicContact CD2-CZ3 3.63Å; L385-I403 HydrophobicContact CD2-CD1 3.91Å; L385-I403 HydrophobicContact CD2-CG1 4.13Å; L385-I405 HydrophobicContact CD1-CG1 4.15Å; L385-I405 HydrophobicContact CG-CG1 3.96Å; L385-P447 CarbonylContact C-O 3.6Å; L385-P447 WeakPolarHBondContact CA-O 3.35Å; L385-F448 HydrophobicContact CD2-CB 3.81Å
386Q97.8Very high96.5Very high70 Ų7058.9 Ų58.933%0.32731%0.308SS..  trans-101118.9171.9-176.4-178.422.900108.5W401 Y445 S446 P447Q386-W401 VanDerWaalsContact O-CZ2 3.3Å; Q386-W401 WeakPolarHBondContact O-CZ2 3.24Å; Q386-Y445 HydrophobicContact CB-CE2 4.07Å; Q386-Y445 HydrophobicContact CG-CD2 4.37Å; Q386-Y445 HydrophobicContact CG-CE2 3.95Å; Q386-Y445 WeakPolarHBondContact O-CE2 3.41Å; Q386-Y445 PolarHBondContact O-OH 3.31Å; Q386-S446 PolarHBondContact OE1-O 2.78Å; Q386-P447 PolarHBondContact N-O 3.3Å
387Q96.1Very high96.5Very high81 Ų8160.1 Ų60.138%0.37932%0.316SS..  trans-72.4135.7176.9-65.9-57.6-22.900110.6E389 S390Q387-E389 WeakPolarHBondContact CB-OE2 3.4Å; Q387-E389 PolarHBondContact O-N 3.38Å; Q387-S390 WeakPolarHBondContact O-CB 3.18Å; Q387-S390 PolarHBondContact O-N 3.32Å; Q387-S390 PolarHBondContact O-OG 3.3Å
388P94.1Very high96.5Very high0 Ų060.2 Ų60.20%032%0.321CS..G310 helixtrans-54.3-33.4174.4-26.434.8000113.1S390 L391 I422 I424 Y445P388-S390 PolarHBondContact O-N 2.82Å; P388-L391 VanDerWaalsContact O-CB 3.26Å; P388-L391 WeakPolarHBondContact O-CB 3.28Å; P388-L391 PolarHBondContact O-N 3.46Å; P388-I422 HydrophobicContact CG-CD1 3.82Å; P388-I424 HydrophobicContact CB-CD1 4.05Å; P388-I424 HydrophobicContact CG-CD1 3.52Å; P388-I424 HydrophobicContact CG-CG1 4.08Å; P388-Y445 WeakPolarHBondContact CD-OH 3.41Å; P388-Y445 HydrophobicContact CG-CE1 4.41Å; P388-Y445 WeakPolarHBondContact CG-OH 3.45Å
389E87.8Confident96.5Very high108 Ų10858.3 Ų58.351%0.50532%0.317SS..G310 helixtrans-67.6-12.2179.7-56.776.3-168.300113.1Q387 L391 S399Q387-E389 WeakPolarHBondContact CB-OE2 3.4Å; Q387-E389 PolarHBondContact O-N 3.38Å; E389-L391 VanDerWaalsContact C-N 3.26Å; E389-S399 PolarHBondContact OE1-OG 2.93Å
390S92.5Very high96.4Very high77 Ų7762.7 Ų62.754%0.53832%0.324SS..G310 helixtrans-77.8-12.8168.970.60000113.4Q387 P388Q387-S390 WeakPolarHBondContact O-CB 3.18Å; Q387-S390 PolarHBondContact O-N 3.32Å; Q387-S390 PolarHBondContact O-OG 3.3Å; P388-S390 PolarHBondContact O-N 2.82Å
391L92.7Very high96.4Very high25 Ų2564.1 Ų64.113%0.13132%0.323CS..SBendtrans-91128.9169.9-50.2171.3000106P388 E389 L393 V440 L441 Y445P388-L391 VanDerWaalsContact O-CB 3.26Å; P388-L391 WeakPolarHBondContact O-CB 3.28Å; P388-L391 PolarHBondContact O-N 3.46Å; E389-L391 VanDerWaalsContact C-N 3.26Å; L391-L393 HydrophobicContact CB-CD2 3.91Å; L391-L393 HydrophobicContact CB-CG 3.98Å; L391-L393 WeakPolarHBondContact O-CG 3.37Å; L391-L393 PolarHBondContact O-N 3.43Å; L391-V440 HydrophobicContact CB-CG1 4.34Å; L391-V440 HydrophobicContact CD1-CG1 4.11Å; L391-L441 HydrophobicContact CD1-CD2 3.65Å; L391-Y445 HydrophobicContact CD1-CD2 3.56Å; L391-Y445 HydrophobicContact CD1-CE2 4.23Å; L391-Y445 HydrophobicContact CD1-CG 3.8Å; L391-Y445 HydrophobicContact CG-CD2 4.41Å
392D94.1Very high96.3Very high159 Ų15962.6 Ų62.685%0.8532%0.317SS*.  trans-67.571.4178.9-174.531000111.1
393L97.4Very high96.3Very high29 Ų2962.8 Ų62.815%0.15232%0.318CS..  trans-86136.6-178.6-55.3-178.7000109.7L391 C397 L426 D437 V440 L441L391-L393 HydrophobicContact CB-CD2 3.91Å; L391-L393 HydrophobicContact CB-CG 3.98Å; L391-L393 WeakPolarHBondContact O-CG 3.37Å; L391-L393 PolarHBondContact O-N 3.43Å; L393-C397 HydrophobicContact CD1-CB 4.28Å; L393-L426 HydrophobicContact CD1-CD2 4.2Å; L393-D437 HydrophobicContact CD2-CB 4.01Å; L393-V440 HydrophobicContact CD2-CB 4.32Å; L393-V440 HydrophobicContact CD2-CG1 4.07Å; L393-L441 HydrophobicContact CD1-CD1 4.42Å; L393-L441 HydrophobicContact CD1-CD2 4.36Å; L393-L441 HydrophobicContact CD1-CG 4.47Å
394R97.9Very high96.3Very high142 Ų14264.3 Ų64.354%0.53633%0.329SS..  trans-92.1-11.5-179.3-62.7166.8-64.61705.6113.2N428 K433 D437R394-N428 PolarHBondContact O-ND2 2.82Å; R394-K433 HydrophobicContact CB-CB 4.48Å; R394-K433 HydrophobicContact CB-CD 4.46Å; R394-K433 PolarHBondContact NH2-O 3.22Å; R394-D437 WeakPolarHBondContact CA-OD2 3.44Å; R394-D437 PolarHBondContact N-OD1 2.91Å; R394-D437 PolarHBondContact N-OD2 3.09Å; R394-D437 IonicContact NE-OD1 3.38Å; R394-D437 PolarHBondContact NE-OD1 3.46Å; R394-D437 IonicContact NH2-OD1 3.56Å
395S98.3Very high96.3Very high10 Ų1067.9 Ų67.97%0.0734%0.343CS..SBendtrans-91.7151.4-180-54.50000110.7C397 N428 D437S395-C397 PolarHBondContact O-N 3.1Å; S395-C397 VanDerWaalsContact O-N 3.08Å; S395-N428 WeakPolarHBondContact CA-ND2 3.22Å; S395-N428 PolarHBondContact OG-ND2 2.87Å; S395-D437 WeakPolarHBondContact CB-OD2 3.26Å; S395-D437 PolarHBondContact N-OD2 2.98Å; S395-D437 PolarHBondContact OG-OD2 3.17Å
396C97.8Very high96.3Very high73 Ų7367 Ų6749%0.49335%0.346SS..EExtended strand (participates in β ladder)trans-61.9116.4168.4176.50000108.7L426 L427C396-L426 VanDerWaalsContact O-CA 3.32Å; C396-L426 WeakPolarHBondContact O-CA 3.31Å; C396-L427 HydrophobicContact CB-CB 4.26Å; C396-L427 PolarHBondContact N-O 2.86Å; C396-L427 PolarHBondContact O-N 3.45Å
397C97.9Very high96.4Very high29 Ų2966.5 Ų66.520%0.19635%0.346CS..EExtended strand (participates in β ladder)trans-107.7116.1-175.9177.80000110.4L393 S395 L426L393-C397 HydrophobicContact CD1-CB 4.28Å; S395-C397 PolarHBondContact O-N 3.1Å; S395-C397 VanDerWaalsContact O-N 3.08Å; C397-L426 HydrophobicContact CB-CD2 3.77Å
398L97.1Very high96.5Very high58 Ų5868.7 Ų68.730%0.30436%0.359SS..EExtended strand (participates in β ladder)trans-108.9108.1174.7-56.2175.9000108.8R341 I424 I425R341-L398 HydrophobicContact CB-CD1 4.36Å; R341-L398 HydrophobicContact CG-CD1 3.93Å; L398-I424 CarbonylContact O-C 3Å; L398-I424 WeakPolarHBondContact O-CA 3.46Å; L398-I425 HydrophobicContact CB-CB 4.3Å; L398-I425 PolarHBondContact N-O 2.82Å; L398-I425 PolarHBondContact O-N 2.86Å
399S96.9Very high96.7Very high39 Ų3969.1 Ų69.127%0.27336%0.361SS..EExtended strand (participates in β ladder)trans-109.4147.7-176.369.40000111.7E389 S423E389-S399 PolarHBondContact OE1-OG 2.93Å; S399-S423 CarbonylContact C-O 3.6Å; S399-S423 WeakPolarHBondContact CA-O 3.26Å
400R96.3Very high97.1Very high139 Ų13969.6 Ų69.653%0.52536%0.363SS..EExtended strand (participates in β ladder)trans-143.9113.6173.7-177.9-179.9178.9169.15.1111.3I422 S423R400-I422 WeakPolarHBondContact O-CA 3.49Å; R400-S423 PolarHBondContact N-O 2.93Å; R400-S423 PolarHBondContact O-N 3.4Å
401W97.7Very high97.2Very high53 Ų5368.3 Ų68.320%0.20135%0.35CS..EExtended strand (participates in β ladder)trans-76.3148.6172.4-68.297.5000112.6L385 Q386 I403 I422 P447L385-W401 HydrophobicContact CB-CH2 4.23Å; L385-W401 HydrophobicContact CB-CZ2 4.29Å; L385-W401 HydrophobicContact CD2-CE3 3.98Å; L385-W401 HydrophobicContact CD2-CH2 4.06Å; L385-W401 HydrophobicContact CD2-CZ3 3.63Å; Q386-W401 VanDerWaalsContact O-CZ2 3.3Å; Q386-W401 WeakPolarHBondContact O-CZ2 3.24Å; W401-I403 HydrophobicContact CE3-CD1 4.38Å; W401-I403 HydrophobicContact CE3-CG1 3.87Å; W401-I403 HydrophobicContact CZ3-CD1 4.23Å; W401-I403 HydrophobicContact CZ3-CG1 4.23Å; W401-I422 HydrophobicContact CD2-CB 4.14Å; W401-I422 HydrophobicContact CD2-CD1 3.94Å; W401-I422 HydrophobicContact CD2-CG1 4.12Å; W401-I422 HydrophobicContact CE3-CB 3.79Å; W401-I422 HydrophobicContact CE3-CD1 4.31Å; W401-I422 HydrophobicContact CE3-CG1 4.29Å; W401-I422 HydrophobicContact CH2-CB 4.28Å; W401-I422 HydrophobicContact CH2-CD1 3.92Å; W401-I422 HydrophobicContact CH2-CG2 4.3Å; W401-I422 HydrophobicContact CZ2-CD1 3.57Å; W401-I422 HydrophobicContact CZ3-CB 3.85Å; W401-I422 HydrophobicContact CZ3-CD1 4.29Å; W401-I422 HydrophobicContact CZ3-CG2 4.1Å; W401-P447 HydrophobicContact CH2-CB 3.71Å; W401-P447 WeakPolarHBondContact CH2-O 3.48Å; W401-P447 HydrophobicContact CZ3-CB 4.17Å
402R97.3Very high97.3Very high90 Ų9067.6 Ų67.634%0.3435%0.347SS..  trans-129.49.8173.1-62.8-174.9177.4-86.3-0.8112.7R377 G417 E420 A421R377-R402 PolarHBondContact NH2-O 3.31Å; R402-G417 WeakPolarHBondContact CD-O 3.29Å; R402-E420 WeakPolarHBondContact CB-O 3.48Å; R402-E420 IonicContact CZ-OE1 2.68Å; R402-E420 IonicContact NE-OE1 3.73Å; R402-E420 PolarHBondContact NE-OE1 3.12Å; R402-E420 IonicContact NH2-OE1 3.71Å; R402-A421 PolarHBondContact N-O 3.26Å
403I98.1Very high97.1Very high6 Ų665.4 Ų65.43%0.03133%0.33CS..  trans-137.1158.2178.860.3167.2000108.3R377 V382 L385 W401 D407 L409 A421 F448R377-I403 HydrophobicContact CG-CG2 4.27Å; V382-I403 HydrophobicContact CG1-CD1 4.37Å; V382-I403 HydrophobicContact CG2-CD1 3.98Å; L385-I403 HydrophobicContact CD2-CD1 3.91Å; L385-I403 HydrophobicContact CD2-CG1 4.13Å; W401-I403 HydrophobicContact CE3-CD1 4.38Å; W401-I403 HydrophobicContact CE3-CG1 3.87Å; W401-I403 HydrophobicContact CZ3-CD1 4.23Å; W401-I403 HydrophobicContact CZ3-CG1 4.23Å; I403-D407 VanDerWaalsContact CA-OD2 3.25Å; I403-D407 WeakPolarHBondContact CA-OD2 3.41Å; I403-L409 HydrophobicContact CB-CD2 4.49Å; I403-L409 HydrophobicContact CD1-CD1 4.1Å; I403-L409 HydrophobicContact CG2-CD1 3.95Å; I403-L409 HydrophobicContact CG2-CD2 3.68Å; I403-L409 HydrophobicContact CG2-CG 4.49Å; I403-A421 HydrophobicContact CD1-CB 3.76Å; I403-A421 HydrophobicContact CG1-CB 4.21Å; I403-A421 HydrophobicContact CG2-CB 4.47Å; I403-F448 HydrophobicContact CD1-CB 4.15Å; I403-F448 HydrophobicContact CD1-CD1 3.87Å; I403-F448 HydrophobicContact CD1-CD2 4.02Å; I403-F448 HydrophobicContact CD1-CE1 4.33Å; I403-F448 HydrophobicContact CD1-CE2 4.43Å; I403-F448 HydrophobicContact CD1-CG 3.74Å
404S98.4Very high96.7Very high71 Ų7164 Ų6450%0.49732%0.323SS..  trans-129.4161.2173.2-56.60000110.2V382 G406 D407V382-S404 WeakPolarHBondContact CB-O 3.42Å; S404-G406 PolarHBondContact O-N 2.99Å; S404-D407 PolarHBondContact N-OD2 3.03Å; S404-D407 WeakPolarHBondContact O-CB 3.34Å; S404-D407 PolarHBondContact O-N 3.4Å; S404-D407 VanDerWaalsContact O-N 3.17Å
405I98.6Very high96.4Very high116 Ų11658.5 Ų58.560%0.59530%0.304SS*.THydrogen-bonded Turntrans-55.7135.2170.2-63.8176.1000109L385L385-I405 HydrophobicContact CD1-CG1 4.15Å; L385-I405 HydrophobicContact CG-CG1 3.96Å
406G98.4Very high95.9Very high32 Ų3260 Ų6033%0.3332%0.317SS..THydrogen-bonded Turntrans91.6-14.9-17800000115R381 V382 S404R381-G406 PolarHBondContact NH1-O 2.99Å; V382-G406 PolarHBondContact O-N 3.46Å; S404-G406 PolarHBondContact O-N 2.99Å
407D98.4Very high95.4Very high60 Ų6057.7 Ų57.732%0.32131%0.306SS..  trans-59.2138.7175.1-78.4-13.2000111R381 V382 I403 S404 L409R381-D407 CarbonylContact C-O 3.58Å; R381-D407 WeakPolarHBondContact CA-O 3.15Å; V382-D407 HydrophobicContact CG2-CB 4.06Å; V382-D407 PolarHBondContact N-O 3.06Å; I403-D407 VanDerWaalsContact CA-OD2 3.25Å; I403-D407 WeakPolarHBondContact CA-OD2 3.41Å; S404-D407 PolarHBondContact N-OD2 3.03Å; S404-D407 WeakPolarHBondContact O-CB 3.34Å; S404-D407 PolarHBondContact O-N 3.4Å; S404-D407 VanDerWaalsContact O-N 3.17Å; D407-L409 HydrophobicContact CB-CD2 3.88Å; D407-L409 HydrophobicContact CB-CG 4.49Å
408I98.3Very high95.1Very high126 Ų12663.3 Ų63.365%0.64632%0.323SS*.EExtended strand (participates in β ladder)trans-95.6119.2170.3-55.6176.5000108
409L98Very high94.9Very high9 Ų961.2 Ų61.25%0.04731%0.311CS..EExtended strand (participates in β ladder)trans-108.9154.7-173.8-55.2-175.5000111.9R377 K378 A379 G380 V382 I403 D407 F448R377-L409 HydrophobicContact CB-CB 4.41Å; R377-L409 HydrophobicContact CB-CD1 4.16Å; R377-L409 HydrophobicContact CG-CD1 4.16Å; K378-L409 VanDerWaalsContact O-CB 3.28Å; K378-L409 WeakPolarHBondContact O-CB 3.36Å; A379-L409 WeakPolarHBondContact CA-O 3.27Å; G380-L409 PolarHBondContact N-O 3.1Å; G380-L409 PolarHBondContact O-N 3.39Å; V382-L409 HydrophobicContact CG2-CD1 3.45Å; V382-L409 VanDerWaalsContact CG2-CD1 3.45Å; V382-L409 HydrophobicContact CG2-CD2 4.41Å; V382-L409 HydrophobicContact CG2-CG 3.78Å; I403-L409 HydrophobicContact CB-CD2 4.49Å; I403-L409 HydrophobicContact CD1-CD1 4.1Å; I403-L409 HydrophobicContact CG2-CD1 3.95Å; I403-L409 HydrophobicContact CG2-CD2 3.68Å; I403-L409 HydrophobicContact CG2-CG 4.49Å; D407-L409 HydrophobicContact CB-CD2 3.88Å; D407-L409 HydrophobicContact CB-CG 4.49Å; L409-F448 HydrophobicContact CD1-CE2 4.03Å
410E96.8Very high94.9Very high119 Ų11959.5 Ų59.556%0.55630%0.299SS*.  trans-110.4156.6166.1-65.8-176.1-176.900109.8K413E410-K413 IonicContact OE2-NZ 3.66Å; E410-K413 PolarHBondContact OE2-NZ 2.9Å
411N95.6Very high95Very high50 Ų5052.9 Ų52.927%0.26727%0.274SS..  trans-59.7151.6169.5-72.9-33.2000111.6A379 K413A379-N411 PolarHBondContact N-OD1 2.78Å; N411-K413 PolarHBondContact O-N 3.01Å
412P94.2Very high95Very high9 Ų950.3 Ų50.36%0.05826%0.264CS..  trans-63.3136.7-179.728.2-36.9000110.4F267 P376 R377 H419F267-P412 HydrophobicContact CD1-CB 3.96Å; F267-P412 HydrophobicContact CD1-CG 4.41Å; F267-P412 HydrophobicContact CE1-CB 3.62Å; F267-P412 HydrophobicContact CE1-CG 4.38Å; F267-P412 WeakPolarHBondContact O-CG 3.29Å; P376-P412 HydrophobicContact CB-CB 4.34Å; P376-P412 HydrophobicContact CB-CG 3.9Å; R377-P412 VanDerWaalsContact O-CD 3.24Å; R377-P412 WeakPolarHBondContact O-CD 3.24Å; P412-H419 HydrophobicContact CB-CB 3.88Å
413K90.3Very high95Very high113 Ų11346.1 Ų46.149%0.49125%0.249SC..SBendtrans-113.318.8174.4-61.9173.8178.3158.80111.4E410 N411 H419E410-K413 IonicContact OE2-NZ 3.66Å; E410-K413 PolarHBondContact OE2-NZ 2.9Å; N411-K413 PolarHBondContact O-N 3.01Å; K413-H419 PolarHBondContact N-ND1 3.07Å
414G89.5Confident95Very high1 Ų145.9 Ų45.91%0.0125%0.247CC..SBendtrans151.5178.4-173.300000111.9A203 A416 H419A203-G414 CarbonylContact O-C 3.52Å; A203-G414 VanDerWaalsContact O-CA 3.26Å; A203-G414 WeakPolarHBondContact O-CA 3.23Å; G414-A416 PolarHBondContact O-N 2.83Å; G414-H419 VanDerWaalsContact O-CB 3.3Å; G414-H419 WeakPolarHBondContact O-CB 3.38Å; G414-H419 PolarHBondContact O-CD2 2.79Å
415L89.6Confident95Very high26 Ų2642.6 Ų42.614%0.13622%0.224CC..SBendtrans-89.310.1-172.2-65165.4000115A203 I264 F267 V274 R374A203-L415 HydrophobicContact CB-CB 4.16Å; A203-L415 PolarHBondContact O-N 2.79Å; I264-L415 HydrophobicContact CG2-CD1 3.32Å; I264-L415 HydrophobicContact CG2-CD2 4.13Å; I264-L415 HydrophobicContact CG2-CG 4.34Å; F267-L415 HydrophobicContact CB-CD2 3.65Å; F267-L415 HydrophobicContact CD1-CD2 3.61Å; F267-L415 HydrophobicContact CD2-CD2 4.36Å; F267-L415 HydrophobicContact CE1-CD2 4.31Å; F267-L415 HydrophobicContact CG-CD2 3.62Å; V274-L415 HydrophobicContact CG2-CD2 3.85Å; R374-L415 PolarHBondContact NH1-O 2.99Å; R374-L415 VanDerWaalsContact NH1-O 3.15Å; R374-L415 PolarHBondContact NH2-O 2.86Å
416A87.8Confident95Very high42 Ų4237.1 Ų37.135%0.34720%0.196SC..SBendtrans-68.1151.8179.900000111.7G414 R418 H419G414-A416 PolarHBondContact O-N 2.83Å; A416-R418 HydrophobicContact CB-CG 4.32Å; A416-R418 PolarHBondContact O-N 2.91Å; A416-H419 WeakPolarHBondContact O-CB 3.43Å; A416-H419 PolarHBondContact O-N 3.13Å
417G89Confident95Very high24 Ų2436.4 Ų36.425%0.24719%0.185CC..G310 helixtrans-58.2-19.5-17700000115.4R402 H419 E420R402-G417 WeakPolarHBondContact CD-O 3.29Å; G417-H419 PolarHBondContact O-N 2.84Å; G417-E420 PolarHBondContact O-N 3.48Å
418R90.7Very high95Very high147 Ų14734.6 Ų34.656%0.55518%0.175SC*.G310 helixtrans-71-13.8172.471.8178.3-177.7-176.3-1114.3R377 A416R377-R418 VanDerWaalsContact CD-O 3.26Å; R377-R418 WeakPolarHBondContact CD-O 3.2Å; R377-R418 PolarHBondContact NE-O 3.34Å; R377-R418 PolarHBondContact NH1-O 3.38Å; A416-R418 HydrophobicContact CB-CG 4.32Å; A416-R418 PolarHBondContact O-N 2.91Å
419H94.1Very high94.9Very high13 Ų1336.2 Ų36.26%0.0618%0.18CC..G310 helixtrans-101.3-0.2177.9-61.6-58.1000111.8F267 P376 R377 P412 K413 G414 A416 G417F267-H419 HydrophobicContact CE1-CB 4.11Å; F267-H419 WeakPolarHBondContact CZ-O 3.28Å; P376-H419 WeakPolarHBondContact CA-O 3.38Å; R377-H419 PolarHBondContact N-O 3.36Å; P412-H419 HydrophobicContact CB-CB 3.88Å; K413-H419 PolarHBondContact N-ND1 3.07Å; G414-H419 VanDerWaalsContact O-CB 3.3Å; G414-H419 WeakPolarHBondContact O-CB 3.38Å; G414-H419 PolarHBondContact O-CD2 2.79Å; A416-H419 WeakPolarHBondContact O-CB 3.43Å; A416-H419 PolarHBondContact O-N 3.13Å; G417-H419 PolarHBondContact O-N 2.84Å
420E96.1Very high94.9Very high3 Ų338.5 Ų38.51%0.01419%0.192CC..EExtended strand (participates in β ladder)trans-95.9136.7178.2-179.6-176.511000109.1R374 Y375 R377 R402 G417 S423R374-E420 HydrophobicContact CB-CG 4.37Å; R374-E420 IonicContact CZ-OE2 3.74Å; R374-E420 VanDerWaalsContact CZ-OE2 3.27Å; R374-E420 IonicContact NE-OE2 2.73Å; R374-E420 PolarHBondContact NE-OE2 3.46Å; R374-E420 IonicContact NH2-OE2 3.66Å; R374-E420 PolarHBondContact NH2-OE2 3.37Å; Y375-E420 WeakPolarHBondContact O-CA 3.36Å; R377-E420 PolarHBondContact NE-O 3.1Å; R402-E420 WeakPolarHBondContact CB-O 3.48Å; R402-E420 IonicContact CZ-OE1 2.68Å; R402-E420 IonicContact NE-OE1 3.73Å; R402-E420 PolarHBondContact NE-OE1 3.12Å; R402-E420 IonicContact NH2-OE1 3.71Å; G417-E420 PolarHBondContact O-N 3.48Å; E420-S423 WeakPolarHBondContact OE1-CB 3.42Å
421A98Very high95Very high0 Ų034.7 Ų34.70%017%0.173CC..EExtended strand (participates in β ladder)trans-91-50.617500000110.7Y375 R377 R402 I403 F448Y375-A421 PolarHBondContact O-N 2.99Å; R377-A421 HydrophobicContact CG-CB 4.19Å; R402-A421 PolarHBondContact N-O 3.26Å; I403-A421 HydrophobicContact CD1-CB 3.76Å; I403-A421 HydrophobicContact CG1-CB 4.21Å; I403-A421 HydrophobicContact CG2-CB 4.47Å; A421-F448 HydrophobicContact CB-CD1 3.84Å; A421-F448 HydrophobicContact CB-CE1 3.29Å; A421-F448 HydrophobicContact CB-CZ 3.91Å
422I98Very high95.1Very high0 Ų038.6 Ų38.60%019%0.189CC..EExtended strand (participates in β ladder)trans-142.8143.9176.8-174.3-179000109.8Y375 P388 R400 W401 I424 P447Y375-I422 HydrophobicContact CD2-CG2 3.77Å; Y375-I422 HydrophobicContact CG-CG2 4.01Å; Y375-I422 PolarHBondContact N-O 2.77Å; P388-I422 HydrophobicContact CG-CD1 3.82Å; R400-I422 WeakPolarHBondContact O-CA 3.49Å; W401-I422 HydrophobicContact CD2-CB 4.14Å; W401-I422 HydrophobicContact CD2-CD1 3.94Å; W401-I422 HydrophobicContact CD2-CG1 4.12Å; W401-I422 HydrophobicContact CE3-CB 3.79Å; W401-I422 HydrophobicContact CE3-CD1 4.31Å; W401-I422 HydrophobicContact CE3-CG1 4.29Å; W401-I422 HydrophobicContact CH2-CB 4.28Å; W401-I422 HydrophobicContact CH2-CD1 3.92Å; W401-I422 HydrophobicContact CH2-CG2 4.3Å; W401-I422 HydrophobicContact CZ2-CD1 3.57Å; W401-I422 HydrophobicContact CZ3-CB 3.85Å; W401-I422 HydrophobicContact CZ3-CD1 4.29Å; W401-I422 HydrophobicContact CZ3-CG2 4.1Å; I422-I424 HydrophobicContact CD1-CD1 4.16Å; I422-I424 HydrophobicContact CD1-CG1 3.96Å; I422-I424 HydrophobicContact CG1-CG1 4.17Å; I422-P447 HydrophobicContact CG2-CB 3.68Å; I422-P447 HydrophobicContact CG2-CG 4.1Å
423S97.5Very high95.3Very high2 Ų242.1 Ų42.11%0.01420%0.204CC..EExtended strand (participates in β ladder)trans-112.7142.5163.462.40000111K334 F373 S399 R400 E420K334-S423 VanDerWaalsContact CE-CB 3.4Å; K334-S423 WeakPolarHBondContact CE-OG 3.4Å; K334-S423 PolarHBondContact NZ-OG 3.39Å; K334-S423 VanDerWaalsContact NZ-OG 3.11Å; F373-S423 VanDerWaalsContact O-CA 3.24Å; F373-S423 WeakPolarHBondContact O-CA 3.27Å; S399-S423 CarbonylContact C-O 3.6Å; S399-S423 WeakPolarHBondContact CA-O 3.26Å; R400-S423 PolarHBondContact N-O 2.93Å; R400-S423 PolarHBondContact O-N 3.4Å; E420-S423 WeakPolarHBondContact OE1-CB 3.42Å
424I98.2Very high95.7Very high0 Ų036.7 Ų36.70%018%0.18CC..EExtended strand (participates in β ladder)trans-128.9139.9177.5-56172.3000108.6F372 F373 Y375 P388 L398 I422 L426 L441 Y445F372-I424 CarbonylContact C-O 3.56Å; F372-I424 WeakPolarHBondContact CA-O 3.14Å; F372-I424 WeakPolarHBondContact CB-O 3.47Å; F373-I424 HydrophobicContact CB-CB 4.14Å; F373-I424 HydrophobicContact CD2-CB 4.06Å; F373-I424 HydrophobicContact CD2-CG2 4.29Å; F373-I424 HydrophobicContact CG-CB 4.47Å; F373-I424 PolarHBondContact N-O 3.35Å; F373-I424 PolarHBondContact O-N 3.01Å; Y375-I424 HydrophobicContact CE2-CD1 4.08Å; P388-I424 HydrophobicContact CB-CD1 4.05Å; P388-I424 HydrophobicContact CG-CD1 3.52Å; P388-I424 HydrophobicContact CG-CG1 4.08Å; L398-I424 CarbonylContact O-C 3Å; L398-I424 WeakPolarHBondContact O-CA 3.46Å; I422-I424 HydrophobicContact CD1-CD1 4.16Å; I422-I424 HydrophobicContact CD1-CG1 3.96Å; I422-I424 HydrophobicContact CG1-CG1 4.17Å; I424-L426 HydrophobicContact CG2-CD2 4.03Å; I424-L426 HydrophobicContact CG2-CG 4.39Å; I424-L441 HydrophobicContact CD1-CD1 4.18Å; I424-L441 HydrophobicContact CD1-CD2 4.08Å; I424-L441 HydrophobicContact CG2-CD1 4.08Å; I424-Y445 HydrophobicContact CD1-CD1 4.31Å; I424-Y445 HydrophobicContact CD1-CE1 3.64Å
425I98.4Very high96.1Very high3 Ų338 Ų382%0.01519%0.188CC..EExtended strand (participates in β ladder)trans-118.4129165.6-62.3166.4000106.8K334 E337 A338 A371 F372 L398 L427K334-I425 HydrophobicContact CB-CD1 4.22Å; K334-I425 HydrophobicContact CB-CG1 4.03Å; K334-I425 HydrophobicContact CD-CD1 4.1Å; K334-I425 HydrophobicContact CD-CG1 4.33Å; K334-I425 HydrophobicContact CG-CG1 4.45Å; E337-I425 HydrophobicContact CB-CD1 3.97Å; E337-I425 HydrophobicContact CG-CD1 3.68Å; A338-I425 HydrophobicContact CB-CD1 4.17Å; A338-I425 HydrophobicContact CB-CG1 4.35Å; A338-I425 HydrophobicContact CB-CG2 3.77Å; A371-I425 CarbonylContact O-C 3.48Å; A371-I425 WeakPolarHBondContact O-CA 3.36Å; F372-I425 HydrophobicContact CB-CG1 4.11Å; L398-I425 HydrophobicContact CB-CB 4.3Å; L398-I425 PolarHBondContact N-O 2.82Å; L398-I425 PolarHBondContact O-N 2.86Å; I425-L427 HydrophobicContact CG2-CD2 3.92Å; I425-L427 HydrophobicContact CG2-CG 4.08Å
426L98.6Very high96.6Very high0 Ų037.9 Ų37.90%019%0.193CC..EExtended strand (participates in β ladder)trans-106.8135.9169.2-62.3-173.4000109.4A371 F373 L393 C396 C397 I424 L434 D437 L441A371-L426 HydrophobicContact CB-CB 4.3Å; A371-L426 PolarHBondContact N-O 2.99Å; A371-L426 PolarHBondContact O-N 3.19Å; F373-L426 HydrophobicContact CE2-CD1 3.97Å; F373-L426 HydrophobicContact CE2-CG 4.06Å; L393-L426 HydrophobicContact CD1-CD2 4.2Å; C396-L426 VanDerWaalsContact O-CA 3.32Å; C396-L426 WeakPolarHBondContact O-CA 3.31Å; C397-L426 HydrophobicContact CB-CD2 3.77Å; I424-L426 HydrophobicContact CG2-CD2 4.03Å; I424-L426 HydrophobicContact CG2-CG 4.39Å; L426-L434 HydrophobicContact CB-CD1 3.53Å; L426-L434 HydrophobicContact CD1-CD1 4.33Å; L426-D437 HydrophobicContact CD1-CB 3.87Å; L426-L441 HydrophobicContact CD1-CD1 3.74Å; L426-L441 HydrophobicContact CD2-CD1 4.15Å; L426-L441 HydrophobicContact CG-CD1 4.04Å
427L98.5Very high97.1Very high18 Ų1836 Ų369%0.09418%0.177CC..EExtended strand (participates in β ladder)trans-127.9129.4174.2-55.8175.7000109.6R341 A342 P368 F369 M370 C396 I425R341-L427 HydrophobicContact CB-CD1 3.79Å; A342-L427 HydrophobicContact CB-CD2 4.03Å; P368-L427 HydrophobicContact CB-CB 4.17Å; P368-L427 HydrophobicContact CG-CB 4.15Å; F369-L427 WeakPolarHBondContact O-CA 3.38Å; M370-L427 HydrophobicContact CB-CD2 4.27Å; M370-L427 HydrophobicContact CG-CD2 3.62Å; C396-L427 HydrophobicContact CB-CB 4.26Å; C396-L427 PolarHBondContact N-O 2.86Å; C396-L427 PolarHBondContact O-N 3.45Å; I425-L427 HydrophobicContact CG2-CD2 3.92Å; I425-L427 HydrophobicContact CG2-CG 4.08Å
428N98.2Very high97.5Very high22 Ų2235 Ų3512%0.11817%0.166CC..EExtended strand (participates in β ladder)trans-149.9139.8174-148.6-47.3000111.5P368 F369 R394 S395 D430 L434P368-N428 CarbonylContact C-O 3.52Å; P368-N428 WeakPolarHBondContact CA-O 3.19Å; F369-N428 WeakPolarHBondContact CB-O 3.41Å; F369-N428 PolarHBondContact N-O 2.75Å; F369-N428 PolarHBondContact O-N 2.92Å; F369-N428 VanDerWaalsContact O-N 3.14Å; R394-N428 PolarHBondContact O-ND2 2.82Å; S395-N428 WeakPolarHBondContact CA-ND2 3.22Å; S395-N428 PolarHBondContact OG-ND2 2.87Å; N428-D430 VanDerWaalsContact C-N 3.28Å; N428-D430 PolarHBondContact OD1-N 2.86Å; N428-L434 HydrophobicContact CB-CB 3.9Å; N428-L434 HydrophobicContact CB-CD1 4.34Å
429E97.1Very high97.9Very high160 Ų16031.6 Ų31.675%0.74816%0.159SC*.SBendtrans-73.2-26.8171.5-65.2-178.9174.500111.7P368 F369P368-E429 HydrophobicContact CB-CG 4.31Å; F369-E429 WeakPolarHBondContact CE2-O 3.5Å
430D97.5Very high98.1Very high56 Ų5632.8 Ų32.830%0.29917%0.167SC..SBendtrans-93.9108177.2-177.1-28.4000109.6N428 E432 K433 L434N428-D430 VanDerWaalsContact C-N 3.28Å; N428-D430 PolarHBondContact OD1-N 2.86Å; D430-E432 VanDerWaalsContact C-N 3.32Å; D430-E432 PolarHBondContact O-N 3.37Å; D430-E432 PolarHBondContact OD1-N 2.85Å; D430-E432 VanDerWaalsContact OD1-N 3.13Å; D430-K433 HydrophobicContact CB-CB 4.06Å; D430-K433 HydrophobicContact CB-CD 3.87Å; D430-K433 HydrophobicContact CB-CG 4.07Å; D430-K433 PolarHBondContact O-N 2.83Å; D430-K433 PolarHBondContact OD1-N 2.86Å; D430-K433 VanDerWaalsContact OD1-N 3.14Å; D430-K433 VanDerWaalsContact OD2-CD 3.28Å; D430-K433 WeakPolarHBondContact OD2-CD 3.4Å; D430-K433 WeakPolarHBondContact OD2-CE 3.18Å; D430-K433 WeakPolarHBondContact OD2-CG 3.42Å; D430-K433 IonicContact OD2-NZ 3.56Å; D430-K433 PolarHBondContact OD2-NZ 3.21Å; D430-L434 PolarHBondContact O-N 3.12Å
431Y97.9Very high98.2Very high39 Ų3932.6 Ų32.615%0.15317%0.166CC..Hα-helixtrans-60.1-39.8-177.4-177.5-115.7000112.6L277 E278 P280 F369 K433 L434 V435L277-Y431 HydrophobicContact CD1-CE2 4.17Å; L277-Y431 HydrophobicContact CG-CE2 4.38Å; E278-Y431 WeakPolarHBondContact O-CE2 3.5Å; P280-Y431 HydrophobicContact CG-CD1 3.98Å; P280-Y431 HydrophobicContact CG-CE1 3.84Å; P280-Y431 HydrophobicContact CG-CE2 4.47Å; P280-Y431 HydrophobicContact CG-CG 4.31Å; F369-Y431 HydrophobicContact CB-CD2 4.34Å; F369-Y431 HydrophobicContact CD1-CD2 4.12Å; F369-Y431 HydrophobicContact CD2-CD2 4.29Å; F369-Y431 AromaticContact CG-CD2 3.99Å; F369-Y431 HydrophobicContact CG-CD2 3.99Å; Y431-K433 VanDerWaalsContact C-N 3.33Å; Y431-K433 PolarHBondContact O-N 2.84Å; Y431-L434 WeakPolarHBondContact O-CB 3.4Å; Y431-L434 PolarHBondContact O-N 3.07Å; Y431-V435 HydrophobicContact CD1-CG2 4.02Å; Y431-V435 HydrophobicContact CD2-CG2 4.21Å; Y431-V435 HydrophobicContact CE1-CG2 3.64Å; Y431-V435 HydrophobicContact CE2-CG2 3.79Å; Y431-V435 HydrophobicContact CG-CG2 4.3Å; Y431-V435 VanDerWaalsContact O-CG2 3.23Å; Y431-V435 WeakPolarHBondContact O-CG2 3.24Å; Y431-V435 PolarHBondContact O-N 3.47Å
432E98.3Very high98.1Very high132 Ų13233.7 Ų33.762%0.61717%0.172SC*.Hα-helixtrans-68.1-35.4-179.2-65.2-57.2142.100111.5D430 V435 G436D430-E432 VanDerWaalsContact C-N 3.32Å; D430-E432 PolarHBondContact O-N 3.37Å; D430-E432 PolarHBondContact OD1-N 2.85Å; D430-E432 VanDerWaalsContact OD1-N 3.13Å; E432-V435 PolarHBondContact O-N 3.2Å; E432-G436 PolarHBondContact O-N 2.92Å
433K98.5Very high98Very high83 Ų8337.9 Ų37.936%0.36120%0.202SC..Hα-helixtrans-64.9-44.4171.3-70.5178.5-169141.30111.7R394 D430 Y431 V435 G436 D437R394-K433 HydrophobicContact CB-CB 4.48Å; R394-K433 HydrophobicContact CB-CD 4.46Å; R394-K433 PolarHBondContact NH2-O 3.22Å; D430-K433 HydrophobicContact CB-CB 4.06Å; D430-K433 HydrophobicContact CB-CD 3.87Å; D430-K433 HydrophobicContact CB-CG 4.07Å; D430-K433 PolarHBondContact O-N 2.83Å; D430-K433 PolarHBondContact OD1-N 2.86Å; D430-K433 VanDerWaalsContact OD1-N 3.14Å; D430-K433 VanDerWaalsContact OD2-CD 3.28Å; D430-K433 WeakPolarHBondContact OD2-CD 3.4Å; D430-K433 WeakPolarHBondContact OD2-CE 3.18Å; D430-K433 WeakPolarHBondContact OD2-CG 3.42Å; D430-K433 IonicContact OD2-NZ 3.56Å; D430-K433 PolarHBondContact OD2-NZ 3.21Å; Y431-K433 VanDerWaalsContact C-N 3.33Å; Y431-K433 PolarHBondContact O-N 2.84Å; K433-V435 PolarHBondContact O-N 3.22Å; K433-G436 PolarHBondContact O-N 3.09Å; K433-D437 VanDerWaalsContact O-CG 3.31Å; K433-D437 PolarHBondContact O-N 3.28Å
434L98.6Very high97.7Very high0 Ų047.1 Ų47.10%024%0.236CC..Hα-helixtrans-58-47.7175-177.168.2000111.4L277 F369 A371 L426 N428 D430 Y431 G436 D437 Y438L277-L434 HydrophobicContact CD1-CD2 3.78Å; L277-L434 HydrophobicContact CD1-CG 4.03Å; F369-L434 HydrophobicContact CB-CD2 3.44Å; F369-L434 VanDerWaalsContact CB-CD2 3.44Å; A371-L434 HydrophobicContact CB-CD1 3.98Å; A371-L434 HydrophobicContact CB-CD2 4.32Å; A371-L434 HydrophobicContact CB-CG 4.28Å; L426-L434 HydrophobicContact CB-CD1 3.53Å; L426-L434 HydrophobicContact CD1-CD1 4.33Å; N428-L434 HydrophobicContact CB-CB 3.9Å; N428-L434 HydrophobicContact CB-CD1 4.34Å; D430-L434 PolarHBondContact O-N 3.12Å; Y431-L434 WeakPolarHBondContact O-CB 3.4Å; Y431-L434 PolarHBondContact O-N 3.07Å; L434-G436 VanDerWaalsContact C-N 3.34Å; L434-G436 PolarHBondContact O-N 3.06Å; L434-D437 PolarHBondContact O-N 3.3Å; L434-Y438 WeakPolarHBondContact O-CB 3.32Å; L434-Y438 PolarHBondContact O-N 3.4Å
435V98.6Very high97.6Very high29 Ų2947.8 Ų47.818%0.17624%0.239CC..Hα-helixtrans-60-44.5178.5170.80000110.9L277 Y431 E432 K433 D437 Y438 N439L277-V435 HydrophobicContact CD2-CG2 4.05Å; Y431-V435 HydrophobicContact CD1-CG2 4.02Å; Y431-V435 HydrophobicContact CD2-CG2 4.21Å; Y431-V435 HydrophobicContact CE1-CG2 3.64Å; Y431-V435 HydrophobicContact CE2-CG2 3.79Å; Y431-V435 HydrophobicContact CG-CG2 4.3Å; Y431-V435 VanDerWaalsContact O-CG2 3.23Å; Y431-V435 WeakPolarHBondContact O-CG2 3.24Å; Y431-V435 PolarHBondContact O-N 3.47Å; E432-V435 PolarHBondContact O-N 3.2Å; K433-V435 PolarHBondContact O-N 3.22Å; V435-D437 PolarHBondContact O-N 3.13Å; V435-Y438 WeakPolarHBondContact O-CB 3.41Å; V435-Y438 PolarHBondContact O-N 3.5Å; V435-N439 WeakPolarHBondContact O-CB 3.12Å; V435-N439 PolarHBondContact O-N 3.42Å; V435-N439 PolarHBondContact O-ND2 3.27Å
436G98.3Very high97.5Very high23 Ų2350 Ų5024%0.23726%0.255CS..Hα-helixtrans-59-47.9176.900000112.6E432 K433 L434 N439 V440E432-G436 PolarHBondContact O-N 2.92Å; K433-G436 PolarHBondContact O-N 3.09Å; L434-G436 VanDerWaalsContact C-N 3.34Å; L434-G436 PolarHBondContact O-N 3.06Å; G436-N439 PolarHBondContact O-N 3.22Å; G436-V440 WeakPolarHBondContact O-CG2 3.35Å; G436-V440 PolarHBondContact O-N 2.95Å; G436-V440 VanDerWaalsContact O-N 3.13Å
437D98.6Very high97.5Very high3 Ų350.2 Ų50.22%0.01626%0.256CS..Hα-helixtrans-69.6-36.6179.2-63.7-8.8000112L393 R394 S395 L426 K433 L434 V435 N439 V440 L441L393-D437 HydrophobicContact CD2-CB 4.01Å; R394-D437 WeakPolarHBondContact CA-OD2 3.44Å; R394-D437 PolarHBondContact N-OD1 2.91Å; R394-D437 PolarHBondContact N-OD2 3.09Å; R394-D437 IonicContact NE-OD1 3.38Å; R394-D437 PolarHBondContact NE-OD1 3.46Å; R394-D437 IonicContact NH2-OD1 3.56Å; S395-D437 WeakPolarHBondContact CB-OD2 3.26Å; S395-D437 PolarHBondContact N-OD2 2.98Å; S395-D437 PolarHBondContact OG-OD2 3.17Å; L426-D437 HydrophobicContact CD1-CB 3.87Å; K433-D437 VanDerWaalsContact O-CG 3.31Å; K433-D437 PolarHBondContact O-N 3.28Å; L434-D437 PolarHBondContact O-N 3.3Å; V435-D437 PolarHBondContact O-N 3.13Å; D437-N439 VanDerWaalsContact C-N 3.34Å; D437-N439 PolarHBondContact O-N 3Å; D437-V440 WeakPolarHBondContact O-CB 3.33Å; D437-V440 PolarHBondContact O-N 3.47Å; D437-L441 PolarHBondContact O-N 2.7Å; D437-L441 VanDerWaalsContact O-N 3.07Å
438Y98.6Very high97.4Very high2 Ų249.6 Ų49.61%0.00825%0.253CS..Hα-helixtrans-57.8-48.2173.1173.6-90.1000110.9E261 C275 L277 A371 F373 L434 V435 V440 L441 V442E261-Y438 VanDerWaalsContact CB-OH 3.32Å; E261-Y438 WeakPolarHBondContact CB-OH 3.5Å; E261-Y438 PolarHBondContact OE2-OH 3.42Å; C275-Y438 HydrophobicContact CB-CE2 3.96Å; L277-Y438 HydrophobicContact CB-CD2 4.01Å; L277-Y438 HydrophobicContact CB-CE1 4.31Å; L277-Y438 HydrophobicContact CB-CE2 3.7Å; L277-Y438 HydrophobicContact CB-CG 4.45Å; L277-Y438 HydrophobicContact CD1-CD2 4.29Å; L277-Y438 HydrophobicContact CD1-CG 4.34Å; L277-Y438 HydrophobicContact CD2-CD1 4.17Å; L277-Y438 HydrophobicContact CD2-CE1 4.3Å; L277-Y438 HydrophobicContact CD2-CG 4.4Å; A371-Y438 HydrophobicContact CB-CD2 3.79Å; A371-Y438 HydrophobicContact CB-CE2 4.47Å; F373-Y438 AromaticContact CE1-CD2 3.84Å; F373-Y438 HydrophobicContact CE1-CD2 3.84Å; F373-Y438 AromaticContact CE1-CE2 3.94Å; F373-Y438 HydrophobicContact CE1-CE2 3.94Å; F373-Y438 HydrophobicContact CE2-CD2 4.06Å; F373-Y438 AromaticContact CZ-CD2 3.23Å; F373-Y438 HydrophobicContact CZ-CD2 3.23Å; F373-Y438 AromaticContact CZ-CE2 3.77Å; F373-Y438 HydrophobicContact CZ-CE2 3.77Å; F373-Y438 AromaticContact CZ-CG 3.97Å; F373-Y438 HydrophobicContact CZ-CG 3.97Å; L434-Y438 WeakPolarHBondContact O-CB 3.32Å; L434-Y438 PolarHBondContact O-N 3.4Å; V435-Y438 WeakPolarHBondContact O-CB 3.41Å; V435-Y438 PolarHBondContact O-N 3.5Å; Y438-V440 VanDerWaalsContact C-N 3.31Å; Y438-V440 PolarHBondContact O-N 3.46Å; Y438-L441 PolarHBondContact O-N 2.87Å; Y438-L441 VanDerWaalsContact O-N 3.16Å; Y438-V442 HydrophobicContact CD1-CG2 3.98Å; Y438-V442 HydrophobicContact CE1-CG2 3.61Å; Y438-V442 HydrophobicContact CE2-CG2 4.27Å; Y438-V442 HydrophobicContact CG-CG2 4.47Å; Y438-V442 WeakPolarHBondContact O-CG2 3.47Å; Y438-V442 PolarHBondContact O-N 2.67Å
439N98.2Very high97.4Very high76 Ų7653.2 Ų53.241%0.40627%0.271SS..Hα-helixtrans-63.9-35.1178.7-72-25.7000112.3V435 G436 D437 V442 S443V435-N439 WeakPolarHBondContact O-CB 3.12Å; V435-N439 PolarHBondContact O-N 3.42Å; V435-N439 PolarHBondContact O-ND2 3.27Å; G436-N439 PolarHBondContact O-N 3.22Å; D437-N439 VanDerWaalsContact C-N 3.34Å; D437-N439 PolarHBondContact O-N 3Å; N439-V442 PolarHBondContact O-N 2.65Å; N439-S443 WeakPolarHBondContact O-CB 3.5Å; N439-S443 PolarHBondContact O-N 3.01Å; N439-S443 PolarHBondContact O-OG 3.01Å
440V98Very high97.5Very high37 Ų3747.7 Ų47.722%0.22425%0.249CC..Hα-helixtrans-60.9-47.8172.8170.40000110.5L391 L393 G436 D437 Y438 R444 Y445L391-V440 HydrophobicContact CB-CG1 4.34Å; L391-V440 HydrophobicContact CD1-CG1 4.11Å; L393-V440 HydrophobicContact CD2-CB 4.32Å; L393-V440 HydrophobicContact CD2-CG1 4.07Å; G436-V440 WeakPolarHBondContact O-CG2 3.35Å; G436-V440 PolarHBondContact O-N 2.95Å; G436-V440 VanDerWaalsContact O-N 3.13Å; D437-V440 WeakPolarHBondContact O-CB 3.33Å; D437-V440 PolarHBondContact O-N 3.47Å; Y438-V440 VanDerWaalsContact C-N 3.31Å; Y438-V440 PolarHBondContact O-N 3.46Å; V440-R444 WeakPolarHBondContact O-CA 3.39Å; V440-R444 WeakPolarHBondContact O-CB 3.49Å; V440-R444 PolarHBondContact O-N 3.03Å; V440-Y445 PolarHBondContact O-N 3.1Å
441L98.2Very high97.4Very high0 Ų054.3 Ų54.30%028%0.278CS..Hα-helixtrans-67.1-37.2178.8-71.2179.9000112.8F373 Y375 L391 L393 I424 L426 D437 Y438 Y445F373-L441 HydrophobicContact CD1-CB 4.21Å; F373-L441 HydrophobicContact CD2-CD1 3.83Å; F373-L441 HydrophobicContact CE1-CB 3.66Å; F373-L441 HydrophobicContact CE1-CD1 4.32Å; F373-L441 HydrophobicContact CE2-CB 4.31Å; F373-L441 HydrophobicContact CE2-CD1 3.48Å; F373-L441 VanDerWaalsContact CE2-CD1 3.48Å; F373-L441 HydrophobicContact CG-CD1 4.4Å; F373-L441 HydrophobicContact CZ-CB 3.71Å; F373-L441 HydrophobicContact CZ-CD1 3.75Å; F373-L441 HydrophobicContact CZ-CG 4.37Å; Y375-L441 VanDerWaalsContact OH-C 3.27Å; Y375-L441 PolarHBondContact OH-O 3.17Å; L391-L441 HydrophobicContact CD1-CD2 3.65Å; L393-L441 HydrophobicContact CD1-CD1 4.42Å; L393-L441 HydrophobicContact CD1-CD2 4.36Å; L393-L441 HydrophobicContact CD1-CG 4.47Å; I424-L441 HydrophobicContact CD1-CD1 4.18Å; I424-L441 HydrophobicContact CD1-CD2 4.08Å; I424-L441 HydrophobicContact CG2-CD1 4.08Å; L426-L441 HydrophobicContact CD1-CD1 3.74Å; L426-L441 HydrophobicContact CD2-CD1 4.15Å; L426-L441 HydrophobicContact CG-CD1 4.04Å; D437-L441 PolarHBondContact O-N 2.7Å; D437-L441 VanDerWaalsContact O-N 3.07Å; Y438-L441 PolarHBondContact O-N 2.87Å; Y438-L441 VanDerWaalsContact O-N 3.16Å; L441-Y445 HydrophobicContact CD2-CD1 3.52Å; L441-Y445 HydrophobicContact CD2-CE1 4.12Å; L441-Y445 HydrophobicContact CD2-CG 3.78Å; L441-Y445 WeakPolarHBondContact O-CB 3.48Å
442V97.3Very high97.4Very high22 Ų2255.1 Ų55.113%0.13328%0.284CS..Hα-helixtrans-65.8-48.3176.5169.30000111.6E261 Y262 C275 F373 Y438 N439E261-V442 HydrophobicContact CG-CG1 3.76Å; E261-V442 HydrophobicContact CG-CG2 4.19Å; Y262-V442 HydrophobicContact CE2-CG1 4.42Å; Y262-V442 WeakPolarHBondContact OH-CG1 3.49Å; C275-V442 HydrophobicContact CB-CG2 4.3Å; F373-V442 HydrophobicContact CE1-CG2 3.96Å; Y438-V442 HydrophobicContact CD1-CG2 3.98Å; Y438-V442 HydrophobicContact CE1-CG2 3.61Å; Y438-V442 HydrophobicContact CE2-CG2 4.27Å; Y438-V442 HydrophobicContact CG-CG2 4.47Å; Y438-V442 WeakPolarHBondContact O-CG2 3.47Å; Y438-V442 PolarHBondContact O-N 2.67Å; N439-V442 PolarHBondContact O-N 2.65Å
443S94.1Very high97.3Very high88 Ų8851 Ų5162%0.61527%0.267SS*.Hα-helixtrans-101-26.7-164.664.20000115.4N439N439-S443 WeakPolarHBondContact O-CB 3.5Å; N439-S443 PolarHBondContact O-N 3.01Å; N439-S443 PolarHBondContact O-OG 3.01Å
444R91.7Very high97.2Very high197 Ų19749.2 Ų49.274%0.74326%0.261SS*.THydrogen-bonded Turntrans-118.4-15.7-170.4-62.1179.2-175.5-177.10.2114V440V440-R444 WeakPolarHBondContact O-CA 3.39Å; V440-R444 WeakPolarHBondContact O-CB 3.49Å; V440-R444 PolarHBondContact O-N 3.03Å
445Y97Very high97.2Very high13 Ų1352.1 Ų52.15%0.05128%0.277CS..  trans-90.9119.7-173.1-178.7-130.8000112.3Y375 Q386 P388 L391 I424 V440 L441 P447Y375-Y445 HydrophobicContact CD2-CE1 4.48Å; Y375-Y445 HydrophobicContact CE1-CD1 4.05Å; Y375-Y445 AromaticContact CE2-CD1 3.94Å; Y375-Y445 HydrophobicContact CE2-CD1 3.94Å; Y375-Y445 HydrophobicContact CE2-CE1 4Å; Y375-Y445 AromaticContact CZ-CD1 3.57Å; Q386-Y445 HydrophobicContact CB-CE2 4.07Å; Q386-Y445 HydrophobicContact CG-CD2 4.37Å; Q386-Y445 HydrophobicContact CG-CE2 3.95Å; Q386-Y445 WeakPolarHBondContact O-CE2 3.41Å; Q386-Y445 PolarHBondContact O-OH 3.31Å; P388-Y445 WeakPolarHBondContact CD-OH 3.41Å; P388-Y445 HydrophobicContact CG-CE1 4.41Å; P388-Y445 WeakPolarHBondContact CG-OH 3.45Å; L391-Y445 HydrophobicContact CD1-CD2 3.56Å; L391-Y445 HydrophobicContact CD1-CE2 4.23Å; L391-Y445 HydrophobicContact CD1-CG 3.8Å; L391-Y445 HydrophobicContact CG-CD2 4.41Å; I424-Y445 HydrophobicContact CD1-CD1 4.31Å; I424-Y445 HydrophobicContact CD1-CE1 3.64Å; V440-Y445 PolarHBondContact O-N 3.1Å; L441-Y445 HydrophobicContact CD2-CD1 3.52Å; L441-Y445 HydrophobicContact CD2-CE1 4.12Å; L441-Y445 HydrophobicContact CD2-CG 3.78Å; L441-Y445 WeakPolarHBondContact O-CB 3.48Å; Y445-P447 HydrophobicContact CD1-CB 4.48Å; Y445-P447 HydrophobicContact CE1-CB 3.68Å; Y445-P447 HydrophobicContact CE1-CG 4.21Å; Y445-P447 HydrophobicContact CE2-CB 4.26Å; Y445-P447 WeakPolarHBondContact OH-CB 3.46Å
446S95.9Very high97.1Very high50 Ų5053.6 Ų53.635%0.3528%0.283SS..  trans-113.293.2169.8-176.40000108.7Q386 F448Q386-S446 PolarHBondContact OE1-O 2.78Å; S446-F448 PolarHBondContact O-N 2.98Å
447P97.6Very high97Very high5 Ų555.6 Ų55.63%0.03229%0.286CS..  trans-57.8-32.2-169.619.7-32.8000113.7Y375 L385 Q386 W401 I422 Y445Y375-P447 HydrophobicContact CD1-CG 3.61Å; Y375-P447 HydrophobicContact CD2-CG 4.5Å; Y375-P447 HydrophobicContact CE1-CG 4.29Å; Y375-P447 HydrophobicContact CG-CG 3.75Å; L385-P447 CarbonylContact C-O 3.6Å; L385-P447 WeakPolarHBondContact CA-O 3.35Å; Q386-P447 PolarHBondContact N-O 3.3Å; W401-P447 HydrophobicContact CH2-CB 3.71Å; W401-P447 WeakPolarHBondContact CH2-O 3.48Å; W401-P447 HydrophobicContact CZ3-CB 4.17Å; I422-P447 HydrophobicContact CG2-CB 3.68Å; I422-P447 HydrophobicContact CG2-CG 4.1Å; Y445-P447 HydrophobicContact CD1-CB 4.48Å; Y445-P447 HydrophobicContact CE1-CB 3.68Å; Y445-P447 HydrophobicContact CE1-CG 4.21Å; Y445-P447 HydrophobicContact CE2-CB 4.26Å; Y445-P447 WeakPolarHBondContact OH-CB 3.46Å
448F98.2Very high96.9Very high5 Ų559.4 Ų59.42%0.02231%0.305CS..EExtended strand (participates in β ladder)trans-153.1158.7-178.765-80.2000110.5P376 K378 S384 L385 I403 L409 A421 S446 T450P376-F448 WeakPolarHBondContact O-CE1 3.27Å; P376-F448 WeakPolarHBondContact O-CZ 2.88Å; K378-F448 HydrophobicContact CB-CE2 3.95Å; K378-F448 HydrophobicContact CB-CZ 4Å; K378-F448 HydrophobicContact CD-CZ 4.31Å; K378-F448 HydrophobicContact CG-CE2 4.32Å; K378-F448 HydrophobicContact CG-CZ 3.93Å; S384-F448 VanDerWaalsContact O-CA 3.24Å; S384-F448 WeakPolarHBondContact O-CA 3.47Å; S384-F448 WeakPolarHBondContact O-CB 3.43Å; L385-F448 HydrophobicContact CD2-CB 3.81Å; I403-F448 HydrophobicContact CD1-CB 4.15Å; I403-F448 HydrophobicContact CD1-CD1 3.87Å; I403-F448 HydrophobicContact CD1-CD2 4.02Å; I403-F448 HydrophobicContact CD1-CE1 4.33Å; I403-F448 HydrophobicContact CD1-CE2 4.43Å; I403-F448 HydrophobicContact CD1-CG 3.74Å; L409-F448 HydrophobicContact CD1-CE2 4.03Å; A421-F448 HydrophobicContact CB-CD1 3.84Å; A421-F448 HydrophobicContact CB-CE1 3.29Å; A421-F448 HydrophobicContact CB-CZ 3.91Å; S446-F448 PolarHBondContact O-N 2.98Å; F448-T450 HydrophobicContact CD2-CG2 3.87Å; F448-T450 HydrophobicContact CE2-CG2 3.77Å
449L98Very high96.7Very high97 Ų9763.8 Ų63.851%0.50833%0.328SS..EExtended strand (participates in β ladder)trans-111.7152.1168.3-57.7175.4000109.7S383 S384S383-L449 PolarHBondContact N-O 2.88Å; S383-L449 PolarHBondContact OG-O 2.71Å; S384-L449 PolarHBondContact O-N 3.02Å; S384-L449 WeakPolarHBondContact OG-CB 3.33Å; S384-L449 WeakPolarHBondContact OG-CG 3.27Å
450T97.9Very high96.6Very high45 Ų4562.8 Ų62.828%0.27632%0.322SS..EExtended strand (participates in β ladder)trans-124144170.8530000110.4A379 R381 F448A379-T450 PolarHBondContact O-OG1 2.85Å; A379-T450 VanDerWaalsContact O-OG1 3.09Å; R381-T450 CarbonylContact O-C 3.52Å; R381-T450 WeakPolarHBondContact O-CA 3.3Å; F448-T450 HydrophobicContact CD2-CG2 3.87Å; F448-T450 HydrophobicContact CE2-CG2 3.77Å
451E95.7Very high96.5Very high194 Ų19465.1 Ų65.191%0.90733%0.331SS*.  trans-100.10171.3-70.5169.5-16200111.7G380 R381 S383G380-E451 WeakPolarHBondContact CA-O 3.42Å; R381-E451 PolarHBondContact N-O 3.46Å; R381-E451 PolarHBondContact O-N 3.34Å; S383-E451 WeakPolarHBondContact CB-OE1 3.5Å

Retrieved 451 of 451 residues in 339.9 ms (Link to these results)

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