A0A077ZHU3_TRITR Loading...

PLDc 2 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZHU3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 424 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M47.8Very low68.6Low127 Ų12787.8 Ų87.863%0.62644%0.44SS*.  0143.20176.3141.9-95.900108.2L3 D254 F369M1-L3 PolarHBondContact O-N 3.28Å; M1-L3 VanDerWaalsContact O-N 3.13Å; M1-D254 HydrophobicContact CE-CB 3.22Å; M1-D254 WeakPolarHBondContact CE-OD2 3.32Å; M1-D254 HydrophobicContact SD-CB 2.94Å; M1-D254 WeakPolarHBondContact SD-CB 3.46Å; M1-F369 HydrophobicContact CE-CE1 4.02Å; M1-F369 HydrophobicContact CE-CZ 4.19Å
2Y51.6Low70.1Confident22 Ų2281.3 Ų81.39%0.08641%0.408CS..  trans-68.1103.3168.3-167.3-100.4000108.1D8 N216Y2-D8 WeakPolarHBondContact CE1-OD2 3.34Å; Y2-D8 PolarHBondContact OH-OD2 3.15Å; Y2-N216 HydrophobicContact CD1-CB 4.2Å; Y2-N216 HydrophobicContact CD2-CB 3.64Å; Y2-N216 HydrophobicContact CE1-CB 4.38Å; Y2-N216 HydrophobicContact CE2-CB 3.82Å; Y2-N216 HydrophobicContact CG-CB 3.82Å
3L54.5Low71.6Confident145 Ų14585.2 Ų85.276%0.75942%0.421SS*.PPolyproline II helixtrans-78.9137.1160.9-68.3164.4000105.3M1 E5M1-L3 PolarHBondContact O-N 3.28Å; M1-L3 VanDerWaalsContact O-N 3.13Å; L3-E5 PolarHBondContact O-N 3.41Å
4F57.9Low73Confident52 Ų5285.4 Ų85.423%0.22842%0.42CS..PPolyproline II helixtrans-50.3129172.8-73.4-65.6000109.2D8 E9 V12 E50 Y228F4-D8 HydrophobicContact CB-CB 4.12Å; F4-D8 HydrophobicContact CD1-CB 3.43Å; F4-D8 VanDerWaalsContact CD1-CB 3.43Å; F4-D8 HydrophobicContact CE1-CB 4.24Å; F4-D8 HydrophobicContact CG-CB 4.23Å; F4-E9 HydrophobicContact CB-CG 3.41Å; F4-E9 VanDerWaalsContact CB-CG 3.41Å; F4-E9 HydrophobicContact CD2-CG 4.37Å; F4-E9 HydrophobicContact CG-CG 4.07Å; F4-V12 HydrophobicContact CE1-CG2 3.68Å; F4-V12 HydrophobicContact CZ-CG2 3.84Å; F4-E50 VanDerWaalsContact CE2-OE1 3.31Å; F4-E50 WeakPolarHBondContact CE2-OE1 3.41Å; F4-Y228 HydrophobicContact CE1-CE2 4.31Å; F4-Y228 AromaticContact CE1-CZ 3.89Å; F4-Y228 WeakPolarHBondContact CE1-OH 3.33Å
5E66.8Low74.3Confident90 Ų9079.7 Ų79.742%0.42139%0.392SS..PPolyproline II helixtrans-71.9154162.4-62.6-175.5-176.800106.7L3 D7 D8 E9 R225L3-E5 PolarHBondContact O-N 3.41Å; E5-D7 PolarHBondContact O-N 3.37Å; E5-D8 PolarHBondContact N-OD2 3.47Å; E5-D8 WeakPolarHBondContact O-CA 3.41Å; E5-D8 WeakPolarHBondContact O-CB 3.33Å; E5-D8 PolarHBondContact O-N 2.87Å; E5-E9 PolarHBondContact O-N 3.32Å; E5-R225 IonicContact OE1-CZ 3.86Å; E5-R225 IonicContact OE1-NH1 2.72Å; E5-R225 PolarHBondContact OE1-NH1 2.9Å
6Q66.1Low75.4Confident166 Ų16675.8 Ų75.878%0.77637%0.373SS*.Hα-helixtrans-50.8-34.7-176-102.2-178.1-25.700113.1D8 E9 A10Q6-D8 VanDerWaalsContact C-N 3.33Å; Q6-E9 PolarHBondContact O-N 3.06Å; Q6-A10 PolarHBondContact O-N 3.43Å
7D73.9Confident76.3Confident132 Ų13277.4 Ų77.471%0.70638%0.38SS*.Hα-helixtrans-67.4-32.6177.8-64.6-20.8000112.4E5 R11E5-D7 PolarHBondContact O-N 3.37Å; D7-R11 WeakPolarHBondContact O-CB 3.28Å; D7-R11 PolarHBondContact O-N 3.1Å
8D81.6Confident77.3Confident13 Ų1376 Ų767%0.0737%0.373CS..Hα-helixtrans-73.9-40.3176.8-55.9-45.6000111.6Y2 F4 E5 Q6 A10 R11 V12 Y228Y2-D8 WeakPolarHBondContact CE1-OD2 3.34Å; Y2-D8 PolarHBondContact OH-OD2 3.15Å; F4-D8 HydrophobicContact CB-CB 4.12Å; F4-D8 HydrophobicContact CD1-CB 3.43Å; F4-D8 VanDerWaalsContact CD1-CB 3.43Å; F4-D8 HydrophobicContact CE1-CB 4.24Å; F4-D8 HydrophobicContact CG-CB 4.23Å; E5-D8 PolarHBondContact N-OD2 3.47Å; E5-D8 WeakPolarHBondContact O-CA 3.41Å; E5-D8 WeakPolarHBondContact O-CB 3.33Å; E5-D8 PolarHBondContact O-N 2.87Å; Q6-D8 VanDerWaalsContact C-N 3.33Å; D8-A10 VanDerWaalsContact C-N 3.3Å; D8-A10 PolarHBondContact O-N 3.39Å; D8-R11 PolarHBondContact O-N 2.92Å; D8-R11 VanDerWaalsContact O-N 3.09Å; D8-V12 WeakPolarHBondContact O-CG2 3.48Å; D8-V12 PolarHBondContact O-N 3.5Å; D8-Y228 HydrophobicContact CB-CD2 4.13Å; D8-Y228 HydrophobicContact CB-CE2 3.9Å
9E82Confident78.1Confident116 Ų11672 Ų7254%0.54235%0.354SS..Hα-helixtrans-59.7-43.6176.3-61.9-175.5163.800110.9F4 E5 Q6 R11 K13F4-E9 HydrophobicContact CB-CG 3.41Å; F4-E9 VanDerWaalsContact CB-CG 3.41Å; F4-E9 HydrophobicContact CD2-CG 4.37Å; F4-E9 HydrophobicContact CG-CG 4.07Å; E5-E9 PolarHBondContact O-N 3.32Å; Q6-E9 PolarHBondContact O-N 3.06Å; E9-R11 VanDerWaalsContact C-N 3.27Å; E9-R11 PolarHBondContact O-N 3.21Å; E9-K13 PolarHBondContact O-N 3.01Å; E9-K13 VanDerWaalsContact O-N 3.14Å
10A85.4Confident78.8Confident53 Ų5374.3 Ų74.344%0.43836%0.363SS..Hα-helixtrans-60.1-40.5175.400000111.3Q6 D8 K13 E14Q6-A10 PolarHBondContact O-N 3.43Å; D8-A10 VanDerWaalsContact C-N 3.3Å; D8-A10 PolarHBondContact O-N 3.39Å; A10-K13 WeakPolarHBondContact O-CB 3.42Å; A10-K13 PolarHBondContact O-N 2.85Å; A10-E14 WeakPolarHBondContact O-CG 3.39Å; A10-E14 PolarHBondContact O-N 3.29Å; A10-E14 VanDerWaalsContact O-N 3.07Å
11R86.9Confident79.4Confident50 Ų5076.6 Ų76.619%0.18937%0.374CS..Hα-helixtrans-74.1-37.9-177.3-167.553.7175.5167.314.2113.4D7 D8 E9 K13 E14 I15 Y228 P230D7-R11 WeakPolarHBondContact O-CB 3.28Å; D7-R11 PolarHBondContact O-N 3.1Å; D8-R11 PolarHBondContact O-N 2.92Å; D8-R11 VanDerWaalsContact O-N 3.09Å; E9-R11 VanDerWaalsContact C-N 3.27Å; E9-R11 PolarHBondContact O-N 3.21Å; R11-K13 VanDerWaalsContact C-N 3.26Å; R11-K13 PolarHBondContact O-N 3.29Å; R11-E14 WeakPolarHBondContact CD-OE2 3.38Å; R11-E14 IonicContact CZ-OE2 3.82Å; R11-E14 IonicContact NE-OE2 3.78Å; R11-E14 IonicContact NH1-OE2 3.94Å; R11-E14 PolarHBondContact NH1-OE2 3.38Å; R11-E14 WeakPolarHBondContact O-CB 3.4Å; R11-E14 PolarHBondContact O-N 3.06Å; R11-I15 HydrophobicContact CG-CD1 4.36Å; R11-I15 WeakPolarHBondContact O-CD1 3.36Å; R11-I15 VanDerWaalsContact O-CG1 3.31Å; R11-I15 WeakPolarHBondContact O-CG1 3.46Å; R11-I15 PolarHBondContact O-N 3.43Å; R11-Y228 HydrophobicContact CG-CG 4.34Å; R11-Y228 WeakPolarHBondContact CG-O 3.41Å; R11-Y228 PolarHBondContact NE-O 3.08Å; R11-P230 VanDerWaalsContact NH2-CA 3.3Å; R11-P230 VanDerWaalsContact NH2-CG 3.33Å
12V87.1Confident81.4Confident9 Ų970.8 Ų70.86%0.05535%0.345CS..Hα-helixtrans-59-40.9170.7170.80000110.4F4 D8 E14 I15 N16 Y228F4-V12 HydrophobicContact CE1-CG2 3.68Å; F4-V12 HydrophobicContact CZ-CG2 3.84Å; D8-V12 WeakPolarHBondContact O-CG2 3.48Å; D8-V12 PolarHBondContact O-N 3.5Å; V12-E14 PolarHBondContact O-N 2.97Å; V12-I15 PolarHBondContact O-N 3.19Å; V12-N16 PolarHBondContact O-N 3.32Å; V12-Y228 HydrophobicContact CG2-CD1 4.45Å; V12-Y228 HydrophobicContact CG2-CE1 4.14Å
13K89.2Confident83.3Confident133 Ų13370.7 Ų70.758%0.57835%0.346SS*.Hα-helixtrans-62.5-42.7174.7-173.5-179.5174.4-174.40112.6E9 A10 R11 I15 N16 E17E9-K13 PolarHBondContact O-N 3.01Å; E9-K13 VanDerWaalsContact O-N 3.14Å; A10-K13 WeakPolarHBondContact O-CB 3.42Å; A10-K13 PolarHBondContact O-N 2.85Å; R11-K13 VanDerWaalsContact C-N 3.26Å; R11-K13 PolarHBondContact O-N 3.29Å; K13-I15 VanDerWaalsContact C-N 3.34Å; K13-I15 PolarHBondContact O-N 2.97Å; K13-N16 WeakPolarHBondContact O-CB 3.28Å; K13-N16 PolarHBondContact O-N 2.92Å; K13-E17 WeakPolarHBondContact CE-OE1 3.49Å; K13-E17 WeakPolarHBondContact O-CG 3.36Å; K13-E17 PolarHBondContact O-N 3.13Å
14E91Very high84.8Confident88 Ų8873 Ų7341%0.41134%0.344SS..Hα-helixtrans-62.3-40.4174.7-70.8175.3-178.700112A10 R11 V12 N16 E17 I18A10-E14 WeakPolarHBondContact O-CG 3.39Å; A10-E14 PolarHBondContact O-N 3.29Å; A10-E14 VanDerWaalsContact O-N 3.07Å; R11-E14 WeakPolarHBondContact CD-OE2 3.38Å; R11-E14 IonicContact CZ-OE2 3.82Å; R11-E14 IonicContact NE-OE2 3.78Å; R11-E14 IonicContact NH1-OE2 3.94Å; R11-E14 PolarHBondContact NH1-OE2 3.38Å; R11-E14 WeakPolarHBondContact O-CB 3.4Å; R11-E14 PolarHBondContact O-N 3.06Å; V12-E14 PolarHBondContact O-N 2.97Å; E14-N16 VanDerWaalsContact C-N 3.35Å; E14-E17 WeakPolarHBondContact O-CB 3.28Å; E14-E17 PolarHBondContact O-N 3.07Å; E14-I18 WeakPolarHBondContact O-CG1 3.49Å; E14-I18 PolarHBondContact O-N 3.09Å
15I92.4Very high86Confident0 Ų076.3 Ų76.30%036%0.361CS..Hα-helixtrans-62.3-44.6175.7-66.6159.1000110.1R11 V12 K13 E17 I18 I19 F205 E209 Y228 F233R11-I15 HydrophobicContact CG-CD1 4.36Å; R11-I15 WeakPolarHBondContact O-CD1 3.36Å; R11-I15 VanDerWaalsContact O-CG1 3.31Å; R11-I15 WeakPolarHBondContact O-CG1 3.46Å; R11-I15 PolarHBondContact O-N 3.43Å; V12-I15 PolarHBondContact O-N 3.19Å; K13-I15 VanDerWaalsContact C-N 3.34Å; K13-I15 PolarHBondContact O-N 2.97Å; I15-E17 VanDerWaalsContact C-N 3.29Å; I15-E17 PolarHBondContact O-N 2.9Å; I15-I18 WeakPolarHBondContact O-CB 3.49Å; I15-I18 PolarHBondContact O-N 3.3Å; I15-I18 VanDerWaalsContact O-N 3.11Å; I15-I19 HydrophobicContact CG2-CD1 4.15Å; I15-I19 WeakPolarHBondContact O-CG1 3.43Å; I15-I19 PolarHBondContact O-N 2.97Å; I15-F205 HydrophobicContact CG2-CB 3.95Å; I15-F205 HydrophobicContact CG2-CD2 3.93Å; I15-F205 HydrophobicContact CG2-CG 4.38Å; I15-E209 WeakPolarHBondContact CB-OE1 3.42Å; I15-E209 HydrophobicContact CD1-CG 4.29Å; I15-E209 VanDerWaalsContact CD1-OE1 3.3Å; I15-E209 WeakPolarHBondContact CD1-OE1 3.12Å; I15-E209 WeakPolarHBondContact CG2-OE1 3.37Å; I15-Y228 HydrophobicContact CD1-CD1 4.03Å; I15-F233 HydrophobicContact CD1-CD1 4.09Å; I15-F233 HydrophobicContact CD1-CD2 3.82Å; I15-F233 HydrophobicContact CD1-CE1 3.77Å; I15-F233 HydrophobicContact CD1-CE2 3.48Å; I15-F233 VanDerWaalsContact CD1-CE2 3.48Å; I15-F233 HydrophobicContact CD1-CG 4.11Å; I15-F233 HydrophobicContact CD1-CZ 3.45Å; I15-F233 VanDerWaalsContact CD1-CZ 3.45Å; I15-F233 HydrophobicContact CG1-CD1 4.32Å; I15-F233 HydrophobicContact CG1-CD2 4.14Å; I15-F233 HydrophobicContact CG1-CE1 4.48Å; I15-F233 HydrophobicContact CG1-CE2 4.31Å; I15-F233 HydrophobicContact CG1-CG 4.15Å; I15-F233 HydrophobicContact CG1-CZ 4.47Å; I15-F233 HydrophobicContact CG2-CD1 4.17Å; I15-F233 HydrophobicContact CG2-CE1 4.44Å
16N91.7Very high86.4Confident17 Ų1772.3 Ų72.39%0.09134%0.342CS..Hα-helixtrans-58.9-39.4174-74.2-17.6000112.7V12 K13 E14 I19 Q20 D49 P52V12-N16 PolarHBondContact O-N 3.32Å; K13-N16 WeakPolarHBondContact O-CB 3.28Å; K13-N16 PolarHBondContact O-N 2.92Å; E14-N16 VanDerWaalsContact C-N 3.35Å; N16-I19 PolarHBondContact O-N 3.01Å; N16-Q20 VanDerWaalsContact O-CG 3.31Å; N16-Q20 WeakPolarHBondContact O-CG 3.43Å; N16-Q20 PolarHBondContact O-N 3.13Å; N16-D49 PolarHBondContact ND2-O 2.96Å; N16-P52 WeakPolarHBondContact OD1-CB 3.34Å; N16-P52 WeakPolarHBondContact OD1-CG 3.39Å
17E92.3Very high86.4Confident103 Ų10371.2 Ų71.248%0.48134%0.342SS..Hα-helixtrans-65-39.4174.9-72.6173.5-172.200111.7K13 E14 I15 Q20 Q21K13-E17 WeakPolarHBondContact CE-OE1 3.49Å; K13-E17 WeakPolarHBondContact O-CG 3.36Å; K13-E17 PolarHBondContact O-N 3.13Å; E14-E17 WeakPolarHBondContact O-CB 3.28Å; E14-E17 PolarHBondContact O-N 3.07Å; I15-E17 VanDerWaalsContact C-N 3.29Å; I15-E17 PolarHBondContact O-N 2.9Å; E17-Q20 PolarHBondContact O-N 3.26Å; E17-Q21 WeakPolarHBondContact O-CB 3.4Å; E17-Q21 PolarHBondContact O-N 2.78Å
18I93.3Very high86Confident52 Ų5270.9 Ų70.927%0.26734%0.336SS..Hα-helixtrans-61.4-45.8173.6-66165.3000110.6E14 I15 Q20 Q21 D22 F205 L235E14-I18 WeakPolarHBondContact O-CG1 3.49Å; E14-I18 PolarHBondContact O-N 3.09Å; I15-I18 WeakPolarHBondContact O-CB 3.49Å; I15-I18 PolarHBondContact O-N 3.3Å; I15-I18 VanDerWaalsContact O-N 3.11Å; I18-Q20 VanDerWaalsContact C-N 3.34Å; I18-Q20 PolarHBondContact O-N 2.99Å; I18-Q21 PolarHBondContact O-N 3.49Å; I18-D22 WeakPolarHBondContact O-CB 3.29Å; I18-D22 PolarHBondContact O-N 3.4Å; I18-F205 HydrophobicContact CG2-CE2 3.93Å; I18-L235 HydrophobicContact CG2-CD2 4.12Å; I18-L235 HydrophobicContact CG2-CG 4.46Å
19I93Very high85Confident0 Ų071.9 Ų71.90%034%0.341CS..Hα-helixtrans-60.9-44.9177.6-62.4169.7000110.4I15 N16 Q21 D22 N23 P52 L53 A54 T202 F205I15-I19 HydrophobicContact CG2-CD1 4.15Å; I15-I19 WeakPolarHBondContact O-CG1 3.43Å; I15-I19 PolarHBondContact O-N 2.97Å; N16-I19 PolarHBondContact O-N 3.01Å; I19-Q21 VanDerWaalsContact C-N 3.33Å; I19-Q21 PolarHBondContact O-N 2.85Å; I19-D22 PolarHBondContact O-N 3.44Å; I19-N23 WeakPolarHBondContact O-CB 3.45Å; I19-N23 PolarHBondContact O-N 3.49Å; I19-N23 PolarHBondContact O-ND2 3.06Å; I19-N23 PolarHBondContact O-OD1 2.98Å; I19-P52 HydrophobicContact CD1-CB 4.18Å; I19-P52 HydrophobicContact CD1-CG 3.47Å; I19-P52 VanDerWaalsContact CD1-CG 3.47Å; I19-P52 HydrophobicContact CG2-CB 4.42Å; I19-L53 WeakPolarHBondContact CG2-O 3.45Å; I19-A54 HydrophobicContact CG2-CB 4.06Å; I19-T202 HydrophobicContact CG1-CG2 4.35Å; I19-F205 HydrophobicContact CD1-CB 4.17Å; I19-F205 HydrophobicContact CD1-CD2 4.25Å; I19-F205 HydrophobicContact CG1-CD2 3.84Å
20Q90.9Very high84Confident117 Ų11770.7 Ų70.755%0.54734%0.335SS..Hα-helixtrans-63.9-36.5177.2-73.6178.213.700113N16 E17 I18N16-Q20 VanDerWaalsContact O-CG 3.31Å; N16-Q20 WeakPolarHBondContact O-CG 3.43Å; N16-Q20 PolarHBondContact O-N 3.13Å; E17-Q20 PolarHBondContact O-N 3.26Å; I18-Q20 VanDerWaalsContact C-N 3.34Å; I18-Q20 PolarHBondContact O-N 2.99Å
21Q91.4Very high82.6Confident124 Ų12470.6 Ų70.658%0.57933%0.33SS*.Hα-helixtrans-70.2-42.4175.1-176.2174.62.500111.3E17 I18 I19 N23 R24 H25E17-Q21 WeakPolarHBondContact O-CB 3.4Å; E17-Q21 PolarHBondContact O-N 2.78Å; I18-Q21 PolarHBondContact O-N 3.49Å; I19-Q21 VanDerWaalsContact C-N 3.33Å; I19-Q21 PolarHBondContact O-N 2.85Å; Q21-N23 VanDerWaalsContact C-N 3.32Å; Q21-N23 PolarHBondContact O-N 3.37Å; Q21-R24 WeakPolarHBondContact O-CB 3.36Å; Q21-R24 PolarHBondContact O-N 3.13Å; Q21-H25 PolarHBondContact O-CE1 3.1Å; Q21-H25 PolarHBondContact O-ND1 3.4Å
22D90.9Very high81.2Confident4 Ų475.3 Ų75.32%0.02136%0.36CS..Hα-helixtrans-60-42.7177.2-177.657000111.4I18 I19 R24 H25 R56 T202 L235I18-D22 WeakPolarHBondContact O-CB 3.29Å; I18-D22 PolarHBondContact O-N 3.4Å; I19-D22 PolarHBondContact O-N 3.44Å; D22-R24 PolarHBondContact O-N 3.14Å; D22-H25 PolarHBondContact O-N 3.15Å; D22-H25 PolarHBondContact O-ND1 3.32Å; D22-R56 WeakPolarHBondContact O-CD 3.26Å; D22-R56 IonicContact OD1-CZ 3.37Å; D22-R56 IonicContact OD1-NH1 2.87Å; D22-R56 PolarHBondContact OD1-NH1 2.89Å; D22-R56 WeakPolarHBondContact OD2-CB 3.44Å; D22-R56 IonicContact OD2-NH1 2.71Å; D22-T202 HydrophobicContact CB-CG2 3.92Å; D22-T202 WeakPolarHBondContact OD2-CG2 3.23Å; D22-T202 PolarHBondContact OD2-OG1 3.32Å; D22-L235 HydrophobicContact CB-CD2 3.99Å
23N90.4Very high80.3Confident20 Ų2080.4 Ų80.411%0.10738%0.383CS..G310 helixtrans-53.7-26.2176.3-75.4-13.5000114.4I19 Q21 H25 L53 I55I19-N23 WeakPolarHBondContact O-CB 3.45Å; I19-N23 PolarHBondContact O-N 3.49Å; I19-N23 PolarHBondContact O-ND2 3.06Å; I19-N23 PolarHBondContact O-OD1 2.98Å; Q21-N23 VanDerWaalsContact C-N 3.32Å; Q21-N23 PolarHBondContact O-N 3.37Å; N23-H25 PolarHBondContact O-N 3.38Å; N23-L53 PolarHBondContact ND2-O 3.2Å; N23-I55 HydrophobicContact CB-CB 4.41Å; N23-I55 HydrophobicContact CB-CD1 4.02Å; N23-I55 HydrophobicContact CB-CG1 4.34Å; N23-I55 WeakPolarHBondContact OD1-CB 3.31Å; N23-I55 PolarHBondContact OD1-N 3.27Å
24R86.6Confident79.8Confident193 Ų19374.9 Ų74.973%0.72836%0.359SS*.G310 helixtrans-71.6-6.5179.2-59.5-177.1-173.2174.33114.2Q21 D22 V26Q21-R24 WeakPolarHBondContact O-CB 3.36Å; Q21-R24 PolarHBondContact O-N 3.13Å; D22-R24 PolarHBondContact O-N 3.14Å; R24-V26 VanDerWaalsContact C-N 3.3Å
25H84.1Confident79.4Confident122 Ų12272.4 Ų72.457%0.56535%0.347SS*.G310 helixtrans-92.818178.8-5385.3000112.8Q21 D22 N23Q21-H25 PolarHBondContact O-CE1 3.1Å; Q21-H25 PolarHBondContact O-ND1 3.4Å; D22-H25 PolarHBondContact O-N 3.15Å; D22-H25 PolarHBondContact O-ND1 3.32Å; N23-H25 PolarHBondContact O-N 3.38Å
26V75.3Confident79.1Confident6 Ų677.8 Ų77.84%0.03638%0.382CS..  trans-122.3129.1174.1-159.30000109.4R24 H28 I55 R56R24-V26 VanDerWaalsContact C-N 3.3Å; V26-H28 VanDerWaalsContact C-N 3.3Å; V26-H28 WeakPolarHBondContact CG1-O 3.43Å; V26-I55 HydrophobicContact CB-CG2 4.25Å; V26-I55 HydrophobicContact CG1-CG2 4.47Å; V26-I55 HydrophobicContact CG2-CG2 3.96Å; V26-R56 HydrophobicContact CG2-CB 4.4Å; V26-R56 HydrophobicContact CG2-CG 3.05Å
27D66Low79Confident143 Ų14377.8 Ų77.877%0.76538%0.383SS*.SBendtrans-78.7-15.4179.7-66.5-33.5000113.1
28H64.2Low78.9Confident125 Ų12572.9 Ų72.958%0.57936%0.361SS*.SBendtrans-130.8150.6-174.2-62-43.6000111.2V26V26-H28 VanDerWaalsContact C-N 3.3Å; V26-H28 WeakPolarHBondContact CG1-O 3.43Å
29N61.7Low78.8Confident35 Ų3572 Ų7219%0.18736%0.358CS..  trans74.129.4-179.1-50.2-32000115Q33 I55 G243 P245N29-Q33 VanDerWaalsContact N-OE1 3.14Å; N29-I55 HydrophobicContact CB-CG2 4.38Å; N29-I55 WeakPolarHBondContact O-CD1 3.23Å; N29-G243 PolarHBondContact ND2-O 3.05Å; N29-G243 VanDerWaalsContact ND2-O 3.1Å; N29-P245 HydrophobicContact CB-CG 3.53Å
30E59.5Low78.6Confident90 Ų9073.2 Ų73.242%0.42137%0.368SS..  trans-56.4152.9166.3-74.1-147.1158.300111D32 Q33 L34E30-D32 PolarHBondContact O-N 2.93Å; E30-Q33 HydrophobicContact CB-CG 4.15Å; E30-Q33 WeakPolarHBondContact O-CA 3.42Å; E30-Q33 WeakPolarHBondContact O-CB 3.45Å; E30-Q33 PolarHBondContact O-N 3.37Å; E30-L34 PolarHBondContact O-N 3.04Å
31P56.2Low78.8Confident51 Ų5167.6 Ų67.633%0.33134%0.342SS..G310 helixtrans-53-34.3-178-23.731.9000113.6Q33 L34 L53 I55P31-Q33 VanDerWaalsContact C-N 3.32Å; P31-L34 WeakPolarHBondContact O-CB 3.24Å; P31-L34 PolarHBondContact O-N 3.28Å; P31-L53 HydrophobicContact CB-CD2 4.16Å; P31-L53 HydrophobicContact CG-CD2 3.81Å; P31-I55 HydrophobicContact CG-CD1 4.49Å
32D57.6Low78.8Confident150 Ų15062.5 Ų62.580%0.80232%0.319SS*.G310 helixtrans-81.5-10.5179.2-64.9-21.9000113.4E30E30-D32 PolarHBondContact O-N 2.93Å
33Q67.9Low78.7Confident116 Ų11668.7 Ų68.754%0.54235%0.346SS..G310 helixtrans-95.3-6.6172.1-62.6-179.7-3.700112.5N29 E30 P31N29-Q33 VanDerWaalsContact N-OE1 3.14Å; E30-Q33 HydrophobicContact CB-CG 4.15Å; E30-Q33 WeakPolarHBondContact O-CA 3.42Å; E30-Q33 WeakPolarHBondContact O-CB 3.45Å; E30-Q33 PolarHBondContact O-N 3.37Å; P31-Q33 VanDerWaalsContact C-N 3.32Å
34L78.8Confident78.8Confident16 Ų1670.8 Ų70.88%0.08435%0.353CS..SBendtrans-67.4145.8173.4-63.6176.1000110.1E30 P31 A38 T39 V42 L53 P245E30-L34 PolarHBondContact O-N 3.04Å; P31-L34 WeakPolarHBondContact O-CB 3.24Å; P31-L34 PolarHBondContact O-N 3.28Å; L34-A38 HydrophobicContact CB-CB 3.85Å; L34-A38 HydrophobicContact CD1-CB 4.2Å; L34-A38 HydrophobicContact CD2-CB 4.44Å; L34-A38 HydrophobicContact CG-CB 4.39Å; L34-T39 PolarHBondContact O-OG1 3.37Å; L34-V42 HydrophobicContact CD1-CG2 3.85Å; L34-L53 HydrophobicContact CD1-CD2 4.36Å; L34-P245 HydrophobicContact CD2-CB 4.39Å; L34-P245 HydrophobicContact CD2-CG 4.21Å
35Y82.8Confident79Confident37 Ų3761.6 Ų61.615%0.14532%0.318CS..  trans-62.6160172.450.3-92.4000111A37 A38 T39 E351 L352 Y376 P378Y35-A37 VanDerWaalsContact C-N 3.29Å; Y35-A37 HydrophobicContact CD2-CB 3.97Å; Y35-A37 HydrophobicContact CE2-CB 4.06Å; Y35-A37 PolarHBondContact O-N 3.1Å; Y35-A37 VanDerWaalsContact O-N 3.15Å; Y35-A38 HydrophobicContact CD1-CB 4.44Å; Y35-A38 HydrophobicContact CD2-CB 3.81Å; Y35-A38 HydrophobicContact CE1-CB 4.05Å; Y35-A38 HydrophobicContact CE2-CB 3.31Å; Y35-A38 VanDerWaalsContact CE2-N 3.28Å; Y35-A38 HydrophobicContact CG-CB 4.31Å; Y35-A38 VanDerWaalsContact CZ-CB 3.44Å; Y35-A38 PolarHBondContact O-N 3.21Å; Y35-A38 VanDerWaalsContact O-N 3.12Å; Y35-T39 PolarHBondContact O-N 3.34Å; Y35-T39 PolarHBondContact O-OG1 3.16Å; Y35-E351 HydrophobicContact CD1-CG 4.46Å; Y35-E351 HydrophobicContact CD2-CB 4.16Å; Y35-E351 HydrophobicContact CD2-CG 4.26Å; Y35-E351 WeakPolarHBondContact CD2-OE2 3.32Å; Y35-E351 HydrophobicContact CE1-CB 4.16Å; Y35-E351 HydrophobicContact CE1-CG 4.35Å; Y35-E351 HydrophobicContact CE2-CB 3.61Å; Y35-E351 HydrophobicContact CE2-CG 4.19Å; Y35-E351 WeakPolarHBondContact CE2-OE2 3.17Å; Y35-E351 HydrophobicContact CG-CG 4.42Å; Y35-E351 PolarHBondContact OH-O 3.25Å; Y35-L352 HydrophobicContact CE2-CD2 3.74Å; Y35-L352 HydrophobicContact CE2-CG 4.07Å; Y35-L352 VanDerWaalsContact OH-CD2 3.23Å; Y35-L352 WeakPolarHBondContact OH-CD2 3.29Å; Y35-Y376 WeakPolarHBondContact OH-CA 3.25Å; Y35-P378 HydrophobicContact CE1-CG 4.17Å
36P87.1Confident78.8Confident113 Ų11363 Ų6373%0.73432%0.323SS*.Hα-helixtrans-54.6-39.1-170.3-29.736.6000114.8T39 A40P36-T39 PolarHBondContact O-N 2.94Å; P36-A40 WeakPolarHBondContact O-CB 3.29Å; P36-A40 PolarHBondContact O-N 3.41Å
37A88.4Confident78.5Confident16 Ų1669.5 Ų69.513%0.13236%0.357CS..Hα-helixtrans-66-44.1179.500000112.2Y35 A40 M41 A270 L352Y35-A37 VanDerWaalsContact C-N 3.29Å; Y35-A37 HydrophobicContact CD2-CB 3.97Å; Y35-A37 HydrophobicContact CE2-CB 4.06Å; Y35-A37 PolarHBondContact O-N 3.1Å; Y35-A37 VanDerWaalsContact O-N 3.15Å; A37-A40 WeakPolarHBondContact O-CB 3.09Å; A37-A40 PolarHBondContact O-N 2.99Å; A37-M41 WeakPolarHBondContact O-CG 3.27Å; A37-M41 PolarHBondContact O-N 3.49Å; A37-A270 HydrophobicContact CB-CB 4.12Å; A37-L352 HydrophobicContact CB-CD1 4.02Å
38A91.6Very high78.7Confident0 Ų064.3 Ų64.30%033%0.329CS..Hα-helixtrans-63.8-44.1174.100000112L34 Y35 A40 M41 V42 L352 Y376L34-A38 HydrophobicContact CB-CB 3.85Å; L34-A38 HydrophobicContact CD1-CB 4.2Å; L34-A38 HydrophobicContact CD2-CB 4.44Å; L34-A38 HydrophobicContact CG-CB 4.39Å; Y35-A38 HydrophobicContact CD1-CB 4.44Å; Y35-A38 HydrophobicContact CD2-CB 3.81Å; Y35-A38 HydrophobicContact CE1-CB 4.05Å; Y35-A38 HydrophobicContact CE2-CB 3.31Å; Y35-A38 VanDerWaalsContact CE2-N 3.28Å; Y35-A38 HydrophobicContact CG-CB 4.31Å; Y35-A38 VanDerWaalsContact CZ-CB 3.44Å; Y35-A38 PolarHBondContact O-N 3.21Å; Y35-A38 VanDerWaalsContact O-N 3.12Å; A38-A40 PolarHBondContact O-N 2.89Å; A38-M41 WeakPolarHBondContact O-CB 3.45Å; A38-M41 PolarHBondContact O-N 3.32Å; A38-V42 WeakPolarHBondContact O-CG2 3.31Å; A38-V42 PolarHBondContact O-N 3.42Å; A38-L352 HydrophobicContact CB-CD2 4.16Å; A38-Y376 HydrophobicContact CB-CD1 3.72Å; A38-Y376 HydrophobicContact CB-CG 3.9Å
39T90.4Very high78.8Confident33 Ų3364.5 Ų64.520%0.20233%0.334CS..Hα-helixtrans-56.9-40.4174.4-63.50000111.6L34 Y35 P36 M41 K43L34-T39 PolarHBondContact O-OG1 3.37Å; Y35-T39 PolarHBondContact O-N 3.34Å; Y35-T39 PolarHBondContact O-OG1 3.16Å; P36-T39 PolarHBondContact O-N 2.94Å; T39-M41 VanDerWaalsContact C-N 3.34Å; T39-K43 HydrophobicContact CG2-CD 4.19Å; T39-K43 WeakPolarHBondContact O-CB 3.16Å; T39-K43 WeakPolarHBondContact O-CG 3.4Å; T39-K43 PolarHBondContact O-N 2.85Å
40A89.8Confident79.5Confident26 Ų2666.2 Ų66.222%0.21534%0.341CS..Hα-helixtrans-67.3-32.8178.200000113P36 A37 A38 Y44 R266P36-A40 WeakPolarHBondContact O-CB 3.29Å; P36-A40 PolarHBondContact O-N 3.41Å; A37-A40 WeakPolarHBondContact O-CB 3.09Å; A37-A40 PolarHBondContact O-N 2.99Å; A38-A40 PolarHBondContact O-N 2.89Å; A40-Y44 PolarHBondContact O-N 3.14Å; A40-R266 PolarHBondContact O-NE 3.02Å; A40-R266 PolarHBondContact O-NH2 3.03Å
41M93.1Very high81Confident0 Ų062.2 Ų62.20%032%0.323CS..Hα-helixtrans-73.1-47.4173.5-70.9-60.2-60.600111.7A37 A38 T39 K43 Y44 F45 G263 R266 M267 L352 F374 Y376A37-M41 WeakPolarHBondContact O-CG 3.27Å; A37-M41 PolarHBondContact O-N 3.49Å; A38-M41 WeakPolarHBondContact O-CB 3.45Å; A38-M41 PolarHBondContact O-N 3.32Å; T39-M41 VanDerWaalsContact C-N 3.34Å; M41-K43 VanDerWaalsContact C-N 3.28Å; M41-K43 PolarHBondContact O-N 3.12Å; M41-Y44 WeakPolarHBondContact O-CA 3.38Å; M41-Y44 WeakPolarHBondContact O-CB 3.46Å; M41-Y44 PolarHBondContact O-N 3.47Å; M41-F45 HydrophobicContact CE-CD2 4.28Å; M41-F45 HydrophobicContact CE-CE2 3.35Å; M41-F45 HydrophobicContact CE-CZ 3.72Å; M41-F45 PolarHBondContact O-N 3.24Å; M41-G263 WeakPolarHBondContact CE-O 3.38Å; M41-R266 HydrophobicContact SD-CB 3.79Å; M41-R266 HydrophobicContact SD-CG 3.67Å; M41-M267 HydrophobicContact CE-CG 3.67Å; M41-M267 HydrophobicContact SD-CG 3.81Å; M41-L352 HydrophobicContact CG-CD1 4.4Å; M41-L352 HydrophobicContact CG-CD2 4.39Å; M41-F374 HydrophobicContact CE-CD1 3.69Å; M41-F374 HydrophobicContact CE-CE1 3.91Å; M41-Y376 HydrophobicContact CB-CD1 4.48Å; M41-Y376 HydrophobicContact CB-CE1 3.49Å; M41-Y376 VanDerWaalsContact CB-CE1 3.49Å; M41-Y376 HydrophobicContact CG-CE1 4.09Å
42V91.8Very high82.8Confident17 Ų1760.6 Ų60.610%0.10331%0.313CS..Hα-helixtrans-56.4-45.1177.1173.20000110.9L34 A38 Y44 F45 K46 L53 Q247 Y376L34-V42 HydrophobicContact CD1-CG2 3.85Å; A38-V42 WeakPolarHBondContact O-CG2 3.31Å; A38-V42 PolarHBondContact O-N 3.42Å; V42-Y44 VanDerWaalsContact C-N 3.3Å; V42-Y44 PolarHBondContact O-N 3.34Å; V42-F45 PolarHBondContact O-N 2.91Å; V42-K46 WeakPolarHBondContact O-CB 3.49Å; V42-K46 PolarHBondContact O-N 3.04Å; V42-L53 HydrophobicContact CG1-CB 4.39Å; V42-L53 HydrophobicContact CG1-CD2 4.09Å; V42-L53 HydrophobicContact CG2-CD1 4.12Å; V42-L53 HydrophobicContact CG2-CD2 4.08Å; V42-Q247 VanDerWaalsContact CA-OE1 3.3Å; V42-Y376 HydrophobicContact CG2-CD2 3.96Å; V42-Y376 HydrophobicContact CG2-CE2 3.64Å
43K90.1Very high84.5Confident134 Ų13454.4 Ų54.458%0.58328%0.279SS*.Hα-helixtrans-63.4-33.2176.1-75.1175.4-178.5173.90113.6T39 M41T39-K43 HydrophobicContact CG2-CD 4.19Å; T39-K43 WeakPolarHBondContact O-CB 3.16Å; T39-K43 WeakPolarHBondContact O-CG 3.4Å; T39-K43 PolarHBondContact O-N 2.85Å; M41-K43 VanDerWaalsContact C-N 3.28Å; M41-K43 PolarHBondContact O-N 3.12Å
44Y91.5Very high85.7Confident64 Ų6448.9 Ų48.925%0.25125%0.254SS..Hα-helixtrans-67.9-50.6178.5172.1-106.2000110.7A40 M41 V42 K46 D262A40-Y44 PolarHBondContact O-N 3.14Å; M41-Y44 WeakPolarHBondContact O-CA 3.38Å; M41-Y44 WeakPolarHBondContact O-CB 3.46Å; M41-Y44 PolarHBondContact O-N 3.47Å; V42-Y44 VanDerWaalsContact C-N 3.3Å; V42-Y44 PolarHBondContact O-N 3.34Å; Y44-K46 VanDerWaalsContact C-N 3.33Å; Y44-K46 PolarHBondContact O-N 3.18Å; Y44-D262 WeakPolarHBondContact OH-CB 3.34Å
45F91.4Very high86.4Confident0 Ų048.3 Ų48.30%025%0.25CS..Hα-helixtrans-75.8-18.9178.8-64.5-50.5000113.8M41 V42 N47 L48 Q247 V249 I259 F374M41-F45 HydrophobicContact CE-CD2 4.28Å; M41-F45 HydrophobicContact CE-CE2 3.35Å; M41-F45 HydrophobicContact CE-CZ 3.72Å; M41-F45 PolarHBondContact O-N 3.24Å; V42-F45 PolarHBondContact O-N 2.91Å; F45-N47 PolarHBondContact O-N 3.36Å; F45-L48 HydrophobicContact CD1-CD1 3.94Å; F45-L48 WeakPolarHBondContact O-CA 3.23Å; F45-L48 VanDerWaalsContact O-CB 3.27Å; F45-L48 WeakPolarHBondContact O-CB 3.47Å; F45-L48 PolarHBondContact O-N 3.02Å; F45-Q247 VanDerWaalsContact CB-NE2 3.29Å; F45-Q247 HydrophobicContact CD2-CB 4.43Å; F45-V249 HydrophobicContact CD1-CG1 4.25Å; F45-V249 HydrophobicContact CD1-CG2 3.81Å; F45-V249 HydrophobicContact CD2-CG2 4.13Å; F45-V249 HydrophobicContact CE1-CB 4.42Å; F45-V249 HydrophobicContact CE1-CG1 3.95Å; F45-V249 HydrophobicContact CE1-CG2 3.74Å; F45-V249 HydrophobicContact CE2-CG2 4.04Å; F45-V249 HydrophobicContact CG-CG2 4.02Å; F45-V249 HydrophobicContact CZ-CG2 3.88Å; F45-I259 HydrophobicContact CD1-CG2 4.12Å; F45-I259 HydrophobicContact CE1-CG2 3.95Å; F45-F374 HydrophobicContact CE1-CE2 4.34Å; F45-F374 HydrophobicContact CE2-CB 4.03Å; F45-F374 AromaticContact CE2-CD1 3.78Å; F45-F374 HydrophobicContact CE2-CD1 3.78Å; F45-F374 AromaticContact CE2-CD2 3.69Å; F45-F374 HydrophobicContact CE2-CD2 3.69Å; F45-F374 HydrophobicContact CE2-CE1 4.12Å; F45-F374 HydrophobicContact CE2-CE2 4.06Å; F45-F374 AromaticContact CE2-CG 3.55Å; F45-F374 HydrophobicContact CE2-CG 3.55Å; F45-F374 HydrophobicContact CE2-CZ 4.26Å; F45-F374 AromaticContact CZ-CD1 3.92Å; F45-F374 HydrophobicContact CZ-CD1 3.92Å; F45-F374 AromaticContact CZ-CD2 3.68Å; F45-F374 HydrophobicContact CZ-CD2 3.68Å; F45-F374 AromaticContact CZ-CE1 3.77Å; F45-F374 HydrophobicContact CZ-CE1 3.77Å; F45-F374 AromaticContact CZ-CE2 3.53Å; F45-F374 HydrophobicContact CZ-CE2 3.53Å; F45-F374 AromaticContact CZ-CG 3.88Å; F45-F374 HydrophobicContact CZ-CG 3.88Å; F45-F374 AromaticContact CZ-CZ 3.58Å; F45-F374 HydrophobicContact CZ-CZ 3.58Å
46K80.2Confident86.8Confident152 Ų15247.7 Ų47.766%0.66125%0.248SC*.THydrogen-bonded Turntrans-59.6-27.6177.4-179.6175.1-178.7178.50113.5V42 Y44 L48V42-K46 WeakPolarHBondContact O-CB 3.49Å; V42-K46 PolarHBondContact O-N 3.04Å; Y44-K46 VanDerWaalsContact C-N 3.33Å; Y44-K46 PolarHBondContact O-N 3.18Å; K46-L48 PolarHBondContact O-N 3.42Å
47N68.7Low87.2Confident141 Ų14142.3 Ų42.375%0.75421%0.213SC*.THydrogen-bonded Turntrans-74-3176.4-66.1-26.1000112.7F45F45-N47 PolarHBondContact O-N 3.36Å
48L69.7Low87.5Confident35 Ų3544.1 Ų44.118%0.18322%0.219CC..SBendtrans-104.4109171.6-50.5166.7000106.7F45 K46 E50 S51 I259F45-L48 HydrophobicContact CD1-CD1 3.94Å; F45-L48 WeakPolarHBondContact O-CA 3.23Å; F45-L48 VanDerWaalsContact O-CB 3.27Å; F45-L48 WeakPolarHBondContact O-CB 3.47Å; F45-L48 PolarHBondContact O-N 3.02Å; K46-L48 PolarHBondContact O-N 3.42Å; L48-E50 PolarHBondContact O-N 2.98Å; L48-S51 PolarHBondContact O-N 3.32Å; L48-I259 HydrophobicContact CD1-CB 4.34Å; L48-I259 HydrophobicContact CD1-CD1 3.87Å; L48-I259 HydrophobicContact CD1-CG1 4.16Å; L48-I259 HydrophobicContact CD1-CG2 3.3Å; L48-I259 HydrophobicContact CD2-CD1 3.44Å; L48-I259 VanDerWaalsContact CD2-CD1 3.44Å; L48-I259 HydrophobicContact CD2-CG1 4.14Å; L48-I259 HydrophobicContact CG-CD1 4.29Å
49D66.2Low87.7Confident129 Ų12945.4 Ų45.469%0.6923%0.225SC*.THydrogen-bonded Turntrans-57.8-18.9175.9-70.9-40.8000111.8N16N16-D49 PolarHBondContact ND2-O 2.96Å
50E77.6Confident88.1Confident71 Ų7147.1 Ų47.133%0.33223%0.231SC..THydrogen-bonded Turntrans-87.93.8-177.1-54.4-174.3172.400115.1F4 L48 T206 R213F4-E50 VanDerWaalsContact CE2-OE1 3.31Å; F4-E50 WeakPolarHBondContact CE2-OE1 3.41Å; L48-E50 PolarHBondContact O-N 2.98Å; E50-T206 WeakPolarHBondContact O-CG2 3.46Å; E50-R213 IonicContact OE1-NH1 3.75Å; E50-R213 PolarHBondContact OE1-NH1 2.86Å; E50-R213 IonicContact OE2-CZ 3.94Å; E50-R213 IonicContact OE2-NH1 3.62Å; E50-R213 PolarHBondContact OE2-NH1 3.48Å
51S90.9Very high88.5Confident5 Ų547.5 Ų47.54%0.03523%0.228CC..  trans-13759.6-177.1-59.80000112.5L48 Q247 I248L48-S51 PolarHBondContact O-N 3.32Å; S51-Q247 PolarHBondContact O-NE2 2.83Å; S51-I248 WeakPolarHBondContact CB-O 3.33Å; S51-I248 PolarHBondContact OG-O 3.06Å; S51-I248 VanDerWaalsContact OG-O 3.06Å
52P92.8Very high88.7Confident18 Ų1848.7 Ų48.712%0.11723%0.233CC..  trans-61.9147.8178.931.4-40.1000111.8N16 I19 A54N16-P52 WeakPolarHBondContact OD1-CB 3.34Å; N16-P52 WeakPolarHBondContact OD1-CG 3.39Å; I19-P52 HydrophobicContact CD1-CB 4.18Å; I19-P52 HydrophobicContact CD1-CG 3.47Å; I19-P52 VanDerWaalsContact CD1-CG 3.47Å; I19-P52 HydrophobicContact CG2-CB 4.42Å; P52-A54 PolarHBondContact O-N 3.27Å
53L93.9Very high89Confident19 Ų1950.1 Ų50.110%0.09924%0.24CC..  trans-71.6119169.7176.166.6000109.6I19 N23 P31 L34 V42 I55 P245 Q247 Y376I19-L53 WeakPolarHBondContact CG2-O 3.45Å; N23-L53 PolarHBondContact ND2-O 3.2Å; P31-L53 HydrophobicContact CB-CD2 4.16Å; P31-L53 HydrophobicContact CG-CD2 3.81Å; L34-L53 HydrophobicContact CD1-CD2 4.36Å; V42-L53 HydrophobicContact CG1-CB 4.39Å; V42-L53 HydrophobicContact CG1-CD2 4.09Å; V42-L53 HydrophobicContact CG2-CD1 4.12Å; V42-L53 HydrophobicContact CG2-CD2 4.08Å; L53-I55 HydrophobicContact CD2-CD1 4.37Å; L53-I55 HydrophobicContact CD2-CG1 4.3Å; L53-I55 HydrophobicContact CG-CG1 4.15Å; L53-P245 HydrophobicContact CD1-CB 4.11Å; L53-Q247 HydrophobicContact CB-CG 4.19Å; L53-Q247 HydrophobicContact CD1-CG 4.18Å; L53-Y376 HydrophobicContact CD1-CD2 3.8Å; L53-Y376 HydrophobicContact CD1-CE2 3.91Å
54A94Very high89.3Confident1 Ų146.9 Ų46.91%0.00823%0.229CC..BIsolated β-bridgetrans-105.5129.3170.900000109.3I19 P52 N57 A203 P245 M246I19-A54 HydrophobicContact CG2-CB 4.06Å; P52-A54 PolarHBondContact O-N 3.27Å; A54-N57 VanDerWaalsContact C-ND2 3.28Å; A54-N57 WeakPolarHBondContact CB-ND2 3.47Å; A54-N57 PolarHBondContact O-ND2 3.2Å; A54-A203 HydrophobicContact CB-CB 3.97Å; A54-P245 CarbonylContact O-C 3.58Å; A54-P245 WeakPolarHBondContact O-CA 3.37Å; A54-M246 PolarHBondContact N-O 3.43Å; A54-M246 PolarHBondContact O-N 3.48Å
55I92.7Very high89.6Confident3 Ų343.9 Ų43.92%0.01522%0.218CC..  trans-104.1-40.6-175.4-59.9176.8000111.3N23 V26 N29 P31 L53 N57 G243 V244 P245N23-I55 HydrophobicContact CB-CB 4.41Å; N23-I55 HydrophobicContact CB-CD1 4.02Å; N23-I55 HydrophobicContact CB-CG1 4.34Å; N23-I55 WeakPolarHBondContact OD1-CB 3.31Å; N23-I55 PolarHBondContact OD1-N 3.27Å; V26-I55 HydrophobicContact CB-CG2 4.25Å; V26-I55 HydrophobicContact CG1-CG2 4.47Å; V26-I55 HydrophobicContact CG2-CG2 3.96Å; N29-I55 HydrophobicContact CB-CG2 4.38Å; N29-I55 WeakPolarHBondContact O-CD1 3.23Å; P31-I55 HydrophobicContact CG-CD1 4.49Å; L53-I55 HydrophobicContact CD2-CD1 4.37Å; L53-I55 HydrophobicContact CD2-CG1 4.3Å; L53-I55 HydrophobicContact CG-CG1 4.15Å; I55-N57 VanDerWaalsContact C-N 3.26Å; I55-N57 PolarHBondContact O-N 3.25Å; I55-G243 CarbonylContact O-C 3.6Å; I55-G243 WeakPolarHBondContact O-CA 3.48Å; I55-V244 CarbonylContact O-C 3.45Å; I55-V244 VanDerWaalsContact O-C 3.31Å; I55-V244 PolarHBondContact O-N 3.1Å; I55-V244 VanDerWaalsContact O-N 3.08Å; I55-P245 HydrophobicContact CG1-CB 4.35Å; I55-P245 HydrophobicContact CG2-CG 4.35Å
56R91.4Very high89.8Confident24 Ų2447.1 Ų47.19%0.09124%0.238CC..SBendtrans-83.765.5-175.3-68.2-173.975.9-118.6-5.4112.4D22 V26 G201 I240D22-R56 WeakPolarHBondContact O-CD 3.26Å; D22-R56 IonicContact OD1-CZ 3.37Å; D22-R56 IonicContact OD1-NH1 2.87Å; D22-R56 PolarHBondContact OD1-NH1 2.89Å; D22-R56 WeakPolarHBondContact OD2-CB 3.44Å; D22-R56 IonicContact OD2-NH1 2.71Å; V26-R56 HydrophobicContact CG2-CB 4.4Å; V26-R56 HydrophobicContact CG2-CG 3.05Å; R56-G201 VanDerWaalsContact O-CA 3.29Å; R56-G201 WeakPolarHBondContact O-CA 3.16Å; R56-I240 HydrophobicContact CB-CD1 4.48Å; R56-I240 VanDerWaalsContact O-CD1 3.3Å; R56-I240 WeakPolarHBondContact O-CD1 3.48Å
57N94.7Very high90.6Very high0 Ų041.6 Ų41.60%022%0.221CC..EExtended strand (participates in β ladder)trans-118142.2175.7-49.7-72.6000111A54 I55 L59 E200 G201 T202 A203 V244 M246A54-N57 VanDerWaalsContact C-ND2 3.28Å; A54-N57 WeakPolarHBondContact CB-ND2 3.47Å; A54-N57 PolarHBondContact O-ND2 3.2Å; I55-N57 VanDerWaalsContact C-N 3.26Å; I55-N57 PolarHBondContact O-N 3.25Å; N57-L59 HydrophobicContact CB-CD1 4.15Å; N57-E200 WeakPolarHBondContact CA-O 3.1Å; N57-G201 WeakPolarHBondContact OD1-CA 3.43Å; N57-T202 PolarHBondContact OD1-N 3.36Å; N57-A203 WeakPolarHBondContact OD1-CB 3.38Å; N57-A203 PolarHBondContact OD1-N 3.11Å; N57-V244 PolarHBondContact ND2-O 3.18Å; N57-V244 PolarHBondContact O-N 3.46Å; N57-M246 HydrophobicContact CB-SD 4.23Å
58E94.7Very high92Very high54 Ų5434.9 Ų34.925%0.25219%0.185SC..EExtended strand (participates in β ladder)trans-105142.1158.7-70.2-176.4-170.300109.3I199 E200 K238 I240E58-I199 WeakPolarHBondContact O-CA 3.34Å; E58-E200 PolarHBondContact N-O 3.32Å; E58-E200 PolarHBondContact O-N 2.91Å; E58-K238 WeakPolarHBondContact OE1-CE 3.39Å; E58-K238 IonicContact OE1-NZ 2.63Å; E58-K238 PolarHBondContact OE1-NZ 2.97Å; E58-K238 IonicContact OE2-NZ 3.89Å; E58-K238 PolarHBondContact OE2-NZ 3.21Å; E58-I240 HydrophobicContact CG-CD1 4.2Å; E58-I240 HydrophobicContact CG-CG1 4.13Å; E58-I240 HydrophobicContact CG-CG2 3.98Å
59L96.5Very high93.4Very high27 Ų2733.3 Ų33.314%0.14118%0.176CC..EExtended strand (participates in β ladder)trans-125.8137.5177.8-67.194.2000111.5N57 F61 R198 I199 V244 M246 F355 I375N57-L59 HydrophobicContact CB-CD1 4.15Å; L59-F61 HydrophobicContact CB-CE2 4.06Å; L59-F61 HydrophobicContact CB-CZ 4.18Å; L59-F61 HydrophobicContact CD2-CE1 4.3Å; L59-F61 HydrophobicContact CD2-CE2 4.4Å; L59-F61 HydrophobicContact CD2-CZ 3.72Å; L59-R198 VanDerWaalsContact CA-O 3.29Å; L59-R198 WeakPolarHBondContact CA-O 3.44Å; L59-I199 HydrophobicContact CD2-CG1 4.07Å; L59-I199 HydrophobicContact CG-CG1 4.26Å; L59-V244 HydrophobicContact CD1-CB 3.39Å; L59-V244 HydrophobicContact CD1-CG1 3.5Å; L59-V244 VanDerWaalsContact CD1-CG1 3.5Å; L59-V244 HydrophobicContact CD1-CG2 3.74Å; L59-M246 HydrophobicContact CD1-SD 4.03Å; L59-M246 HydrophobicContact CD2-CE 4.21Å; L59-M246 HydrophobicContact CD2-SD 3.96Å; L59-M246 HydrophobicContact CG-SD 4.37Å; L59-F355 HydrophobicContact CD2-CE1 4.06Å; L59-F355 HydrophobicContact CD2-CZ 4.33Å; L59-I375 HydrophobicContact CD2-CD1 4.23Å
60E97.7Very high94.9Very high69 Ų6931.1 Ų31.132%0.32216%0.162SC..EExtended strand (participates in β ladder)trans-118.1138.6165.1-58.9171-119.600108.4F62 R71 G197 R198E60-F62 HydrophobicContact CB-CE2 3.8Å; E60-F62 HydrophobicContact CB-CZ 4.1Å; E60-R71 IonicContact OE1-CZ 2.62Å; E60-R71 IonicContact OE1-NE 3.83Å; E60-R71 IonicContact OE1-NH2 2.93Å; E60-R71 PolarHBondContact OE1-NH2 2.82Å; E60-R71 IonicContact OE2-NE 2.95Å; E60-R71 PolarHBondContact OE2-NE 3.29Å; E60-G197 CarbonylContact O-C 3.39Å; E60-G197 WeakPolarHBondContact O-CA 3.38Å; E60-R198 HydrophobicContact CB-CB 4.21Å; E60-R198 PolarHBondContact N-O 3.46Å; E60-R198 PolarHBondContact O-N 3.47Å; E60-R198 WeakPolarHBondContact OE1-CD 3.48Å; E60-R198 IonicContact OE1-CZ 3.7Å; E60-R198 IonicContact OE1-NE 3.28Å; E60-R198 IonicContact OE1-NH1 3.96Å; E60-R198 PolarHBondContact OE1-NH1 3.31Å
61F98.6Very high95.9Very high35 Ų3530.1 Ų30.115%0.15416%0.155CC..EExtended strand (participates in β ladder)trans-116.3138.5179.6-66.9-74.7000111.7L59 T195 F355 I375 I380 L383 F384L59-F61 HydrophobicContact CB-CE2 4.06Å; L59-F61 HydrophobicContact CB-CZ 4.18Å; L59-F61 HydrophobicContact CD2-CE1 4.3Å; L59-F61 HydrophobicContact CD2-CE2 4.4Å; L59-F61 HydrophobicContact CD2-CZ 3.72Å; F61-T195 HydrophobicContact CD1-CG2 4.18Å; F61-F355 AromaticContact CE1-CD1 3.69Å; F61-F355 HydrophobicContact CE1-CD1 3.69Å; F61-F355 HydrophobicContact CE1-CD2 4.25Å; F61-F355 AromaticContact CE1-CE1 3.59Å; F61-F355 HydrophobicContact CE1-CE1 3.59Å; F61-F355 HydrophobicContact CE1-CE2 4.15Å; F61-F355 HydrophobicContact CE1-CG 4.03Å; F61-F355 AromaticContact CE1-CZ 3.83Å; F61-F355 HydrophobicContact CE1-CZ 3.83Å; F61-F355 HydrophobicContact CZ-CD1 4.23Å; F61-F355 HydrophobicContact CZ-CE1 4.04Å; F61-I375 HydrophobicContact CZ-CD1 4Å; F61-I380 HydrophobicContact CE2-CD1 3.99Å; F61-I380 HydrophobicContact CE2-CG2 3.74Å; F61-I380 HydrophobicContact CZ-CG2 3.99Å; F61-L383 HydrophobicContact CD2-CD2 3.84Å; F61-L383 HydrophobicContact CE2-CD2 4.34Å; F61-F384 AromaticContact CD1-CE1 3.89Å; F61-F384 HydrophobicContact CD1-CE1 3.89Å; F61-F384 AromaticContact CD1-CZ 3.99Å; F61-F384 HydrophobicContact CD1-CZ 3.99Å; F61-F384 AromaticContact CD2-CE1 3.91Å; F61-F384 HydrophobicContact CD2-CE1 3.91Å; F61-F384 AromaticContact CE1-CE1 3.74Å; F61-F384 HydrophobicContact CE1-CE1 3.74Å; F61-F384 AromaticContact CE1-CZ 3.52Å; F61-F384 HydrophobicContact CE1-CZ 3.52Å; F61-F384 AromaticContact CE2-CE1 3.75Å; F61-F384 HydrophobicContact CE2-CE1 3.75Å; F61-F384 HydrophobicContact CE2-CZ 4.23Å; F61-F384 AromaticContact CG-CE1 3.97Å; F61-F384 HydrophobicContact CG-CE1 3.97Å; F61-F384 AromaticContact CZ-CE1 3.66Å; F61-F384 HydrophobicContact CZ-CE1 3.66Å; F61-F384 AromaticContact CZ-CZ 3.65Å; F61-F384 HydrophobicContact CZ-CZ 3.65Å
62F98.6Very high96.3Very high25 Ų2529.9 Ų29.911%0.1115%0.153CC..EExtended strand (participates in β ladder)trans-121.3130.7-179.8-60-91000110E60 A67 K68 R71 W172 H196 R198E60-F62 HydrophobicContact CB-CE2 3.8Å; E60-F62 HydrophobicContact CB-CZ 4.1Å; F62-A67 HydrophobicContact CD1-CB 4.01Å; F62-K68 HydrophobicContact CB-CB 3.67Å; F62-K68 HydrophobicContact CB-CG 4.21Å; F62-K68 HydrophobicContact CG-CB 4.14Å; F62-R71 HydrophobicContact CE1-CB 3.74Å; F62-R71 HydrophobicContact CE1-CG 4.09Å; F62-R71 HydrophobicContact CE2-CG 4.26Å; F62-R71 HydrophobicContact CZ-CB 3.7Å; F62-R71 HydrophobicContact CZ-CG 3.54Å; F62-W172 AromaticContact CD2-CH2 3.92Å; F62-W172 HydrophobicContact CD2-CH2 3.92Å; F62-W172 AromaticContact CD2-CZ3 3.51Å; F62-W172 HydrophobicContact CD2-CZ3 3.51Å; F62-W172 AromaticContact CE2-CH2 3.46Å; F62-W172 HydrophobicContact CE2-CH2 3.46Å; F62-W172 VanDerWaalsContact CE2-CH2 3.46Å; F62-W172 AromaticContact CE2-CZ3 3.53Å; F62-W172 HydrophobicContact CE2-CZ3 3.53Å; F62-W172 HydrophobicContact CG-CZ3 4.38Å; F62-W172 AromaticContact CZ-CH2 3.97Å; F62-W172 HydrophobicContact CZ-CH2 3.97Å; F62-W172 HydrophobicContact CZ-CZ3 4.4Å; F62-H196 PolarHBondContact N-O 3.25Å; F62-H196 PolarHBondContact O-N 2.87Å; F62-H196 VanDerWaalsContact O-N 3.1Å; F62-R198 HydrophobicContact CE2-CB 4.15Å
63L98Very high96.6Very high46 Ų4629 Ų2924%0.24115%0.148CC..SBendtrans-107-14-172.3-52.3-174000113.8D194 I387L63-D194 CarbonylContact C-O 3.36Å; L63-D194 WeakPolarHBondContact CA-O 3.29Å; L63-D194 PolarHBondContact O-N 3.43Å; L63-D194 VanDerWaalsContact O-O 3.1Å; L63-I387 HydrophobicContact CD1-CD1 4.07Å; L63-I387 HydrophobicContact CD1-CG1 3.95Å; L63-I387 HydrophobicContact CD1-CG2 3.94Å; L63-I387 HydrophobicContact CD2-CD1 4.06Å; L63-I387 HydrophobicContact CD2-CG2 4.32Å
64D96.4Very high96.8Very high66 Ų6632.4 Ų32.435%0.35316%0.163SC..SBendtrans-128.9152176.672.491000110.8T66 A67 K68D64-T66 PolarHBondContact O-N 3.36Å; D64-T66 PolarHBondContact OD1-N 3.32Å; D64-T66 VanDerWaalsContact OD1-N 3.16Å; D64-A67 WeakPolarHBondContact OD1-CB 3.39Å; D64-A67 PolarHBondContact OD1-N 3.34Å; D64-A67 WeakPolarHBondContact OD2-CB 3.19Å; D64-K68 WeakPolarHBondContact O-CB 3.43Å; D64-K68 PolarHBondContact O-N 2.91Å
65G96.4Very high97Very high2 Ų232.8 Ų32.82%0.02117%0.165CC..Hα-helixtrans-67.4-34.3-174.900000113.4K68 F69 F176 Y182G65-K68 PolarHBondContact O-N 2.74Å; G65-F69 WeakPolarHBondContact O-CB 3.33Å; G65-F69 WeakPolarHBondContact O-CD2 3.41Å; G65-F69 PolarHBondContact O-N 3.31Å; G65-F176 VanDerWaalsContact N-CZ 3.33Å; G65-Y182 WeakPolarHBondContact CA-O 3.38Å
66T96.7Very high97.3Very high67 Ų6732.7 Ų32.741%0.41117%0.165SC..Hα-helixtrans-65.9-53.4-176.3-59.60000110.9D64 K68 F69 E70D64-T66 PolarHBondContact O-N 3.36Å; D64-T66 PolarHBondContact OD1-N 3.32Å; D64-T66 VanDerWaalsContact OD1-N 3.16Å; T66-K68 VanDerWaalsContact C-N 3.31Å; T66-K68 PolarHBondContact O-N 3.38Å; T66-F69 PolarHBondContact O-N 3.5Å; T66-E70 WeakPolarHBondContact O-CG 3.26Å; T66-E70 PolarHBondContact O-N 3.48Å
67A97.5Very high97.7Very high37 Ų3736.4 Ų36.431%0.30618%0.179SC..Hα-helixtrans-60.3-42.6176.700000111.5F62 D64 F69 E70 R71F62-A67 HydrophobicContact CD1-CB 4.01Å; D64-A67 WeakPolarHBondContact OD1-CB 3.39Å; D64-A67 PolarHBondContact OD1-N 3.34Å; D64-A67 WeakPolarHBondContact OD2-CB 3.19Å; A67-F69 PolarHBondContact O-N 2.93Å; A67-E70 PolarHBondContact O-N 2.92Å; A67-R71 PolarHBondContact O-N 3.25Å; A67-R71 VanDerWaalsContact O-N 3.15Å
68K98.1Very high97.9Very high0 Ų041.1 Ų41.10%020%0.204CC..Hα-helixtrans-56.8-50.3176.1-178.2-96.1176.71750111.9F62 D64 G65 T66 L72 Y87 W172 F176 H196F62-K68 HydrophobicContact CB-CB 3.67Å; F62-K68 HydrophobicContact CB-CG 4.21Å; F62-K68 HydrophobicContact CG-CB 4.14Å; D64-K68 WeakPolarHBondContact O-CB 3.43Å; D64-K68 PolarHBondContact O-N 2.91Å; G65-K68 PolarHBondContact O-N 2.74Å; T66-K68 VanDerWaalsContact C-N 3.31Å; T66-K68 PolarHBondContact O-N 3.38Å; K68-L72 VanDerWaalsContact O-CB 3.29Å; K68-L72 WeakPolarHBondContact O-CB 3.45Å; K68-L72 PolarHBondContact O-N 2.87Å; K68-Y87 PolarHBondContact NZ-OH 3.29Å; K68-W172 HydrophobicContact CG-CZ3 4.26Å; K68-F176 HydrophobicContact CB-CD2 4.25Å; K68-F176 HydrophobicContact CB-CE2 4.42Å; K68-F176 HydrophobicContact CD-CB 4.3Å; K68-F176 HydrophobicContact CD-CD2 4.37Å; K68-F176 HydrophobicContact CG-CD2 4.04Å; K68-H196 HydrophobicContact CG-CB 4.22Å
69F98.3Very high98Very high1 Ų138.5 Ų38.50%0.00419%0.192CC..Hα-helixtrans-72.8-35.9-175.9-81.5-65.5000112.7G65 T66 A67 L72 F73 I95 F99 N177 V178 L183G65-F69 WeakPolarHBondContact O-CB 3.33Å; G65-F69 WeakPolarHBondContact O-CD2 3.41Å; G65-F69 PolarHBondContact O-N 3.31Å; T66-F69 PolarHBondContact O-N 3.5Å; A67-F69 PolarHBondContact O-N 2.93Å; F69-L72 HydrophobicContact CD1-CD2 4.25Å; F69-L72 HydrophobicContact CE1-CD2 4.35Å; F69-L72 PolarHBondContact O-N 3.41Å; F69-F73 HydrophobicContact CB-CD2 4.5Å; F69-F73 HydrophobicContact CB-CE2 4.11Å; F69-F73 HydrophobicContact CB-CZ 4.23Å; F69-F73 AromaticContact CD1-CE1 3.98Å; F69-F73 HydrophobicContact CD1-CE1 3.98Å; F69-F73 AromaticContact CD1-CZ 3.91Å; F69-F73 HydrophobicContact CD1-CZ 3.91Å; F69-F73 HydrophobicContact CG-CZ 4.39Å; F69-F73 VanDerWaalsContact O-CB 3.23Å; F69-F73 WeakPolarHBondContact O-CB 3.26Å; F69-F73 WeakPolarHBondContact O-CD2 3.45Å; F69-F73 WeakPolarHBondContact O-CG 3.21Å; F69-F73 PolarHBondContact O-N 3.39Å; F69-I95 HydrophobicContact CB-CD1 3.96Å; F69-I95 HydrophobicContact CB-CG1 4.39Å; F69-I95 HydrophobicContact CD1-CD1 4.46Å; F69-I95 HydrophobicContact CD1-CG1 4.11Å; F69-I95 HydrophobicContact CD2-CD1 4.27Å; F69-I95 HydrophobicContact CD2-CG1 3.85Å; F69-I95 HydrophobicContact CE1-CG1 4.41Å; F69-I95 HydrophobicContact CE2-CG1 4.18Å; F69-I95 HydrophobicContact CG-CD1 3.98Å; F69-I95 HydrophobicContact CG-CG1 3.85Å; F69-I95 HydrophobicContact CZ-CG1 4.46Å; F69-F99 HydrophobicContact CD1-CD2 4.48Å; F69-F99 HydrophobicContact CE1-CD2 4.07Å; F69-F99 HydrophobicContact CE1-CE2 4.3Å; F69-N177 WeakPolarHBondContact CZ-O 3.3Å; F69-V178 HydrophobicContact CE1-CG1 4.36Å; F69-V178 HydrophobicContact CE1-CG2 4Å; F69-V178 HydrophobicContact CZ-CB 4.32Å; F69-V178 HydrophobicContact CZ-CG1 4.37Å; F69-V178 HydrophobicContact CZ-CG2 4.06Å; F69-L183 HydrophobicContact CD2-CD2 3.68Å; F69-L183 HydrophobicContact CE2-CD2 4.26Å
70E98.2Very high98.1Very high83 Ų8344.3 Ų44.339%0.38822%0.218SC..Hα-helixtrans-61.1-47.4175-71.8-54.3150.200111.8T66 A67 F73 E74 R98T66-E70 WeakPolarHBondContact O-CG 3.26Å; T66-E70 PolarHBondContact O-N 3.48Å; A67-E70 PolarHBondContact O-N 2.92Å; E70-F73 PolarHBondContact O-N 2.96Å; E70-E74 PolarHBondContact O-N 3.25Å; E70-R98 VanDerWaalsContact CD-NH2 3.32Å; E70-R98 IonicContact OE1-CZ 2.8Å; E70-R98 VanDerWaalsContact OE1-CZ 3.27Å; E70-R98 IonicContact OE1-NH1 3.52Å; E70-R98 PolarHBondContact OE1-NH1 3.29Å; E70-R98 IonicContact OE1-NH2 2.91Å; E70-R98 PolarHBondContact OE1-NH2 3.36Å; E70-R98 IonicContact OE2-CZ 3.58Å; E70-R98 IonicContact OE2-NH1 3.68Å; E70-R98 IonicContact OE2-NH2 3.77Å; E70-R98 PolarHBondContact OE2-NH2 3.3Å
71R98.6Very high98.1Very high50 Ų5043.4 Ų43.419%0.18922%0.22CC..Hα-helixtrans-66.9-42.6177.9-174.778178.886.28.9112.2E60 F62 A67 F73 E74 D75 W172E60-R71 IonicContact OE1-CZ 2.62Å; E60-R71 IonicContact OE1-NE 3.83Å; E60-R71 IonicContact OE1-NH2 2.93Å; E60-R71 PolarHBondContact OE1-NH2 2.82Å; E60-R71 IonicContact OE2-NE 2.95Å; E60-R71 PolarHBondContact OE2-NE 3.29Å; F62-R71 HydrophobicContact CE1-CB 3.74Å; F62-R71 HydrophobicContact CE1-CG 4.09Å; F62-R71 HydrophobicContact CE2-CG 4.26Å; F62-R71 HydrophobicContact CZ-CB 3.7Å; F62-R71 HydrophobicContact CZ-CG 3.54Å; A67-R71 PolarHBondContact O-N 3.25Å; A67-R71 VanDerWaalsContact O-N 3.15Å; R71-F73 VanDerWaalsContact C-N 3.31Å; R71-F73 PolarHBondContact O-N 3.24Å; R71-E74 WeakPolarHBondContact CD-OE2 3.22Å; R71-E74 IonicContact CZ-OE2 3.68Å; R71-E74 IonicContact NE-OE2 2.68Å; R71-E74 IonicContact NH1-OE2 3.62Å; R71-E74 PolarHBondContact NH1-OE2 2.83Å; R71-E74 WeakPolarHBondContact O-CB 3.26Å; R71-E74 PolarHBondContact O-N 3.18Å; R71-D75 IonicContact CZ-OD1 3.19Å; R71-D75 IonicContact NH1-OD1 3.69Å; R71-D75 PolarHBondContact NH1-OD1 2.97Å; R71-D75 IonicContact NH2-OD1 3.32Å; R71-D75 PolarHBondContact O-N 3.06Å; R71-W172 HydrophobicContact CB-CH2 3.74Å; R71-W172 HydrophobicContact CB-CZ2 4.24Å; R71-W172 HydrophobicContact CG-CH2 3.52Å; R71-W172 HydrophobicContact CG-CZ2 3.74Å
72L98.8Very high98.1Very high0 Ų042 Ų420%021%0.214CC..Hα-helixtrans-59-43.4174.3174.361.1000111.4K68 F69 E74 D75 L76 F99 V164 W172K68-L72 VanDerWaalsContact O-CB 3.29Å; K68-L72 WeakPolarHBondContact O-CB 3.45Å; K68-L72 PolarHBondContact O-N 2.87Å; F69-L72 HydrophobicContact CD1-CD2 4.25Å; F69-L72 HydrophobicContact CE1-CD2 4.35Å; F69-L72 PolarHBondContact O-N 3.41Å; L72-E74 VanDerWaalsContact C-N 3.28Å; L72-E74 PolarHBondContact O-N 2.94Å; L72-D75 PolarHBondContact O-N 2.77Å; L72-L76 HydrophobicContact CD1-CD1 4.35Å; L72-L76 HydrophobicContact CD1-CG 4.19Å; L72-L76 HydrophobicContact CG-CD1 4.13Å; L72-L76 HydrophobicContact CG-CG 4.38Å; L72-L76 VanDerWaalsContact O-CG 3.3Å; L72-L76 WeakPolarHBondContact O-CG 3.37Å; L72-L76 PolarHBondContact O-N 2.96Å; L72-F99 HydrophobicContact CD2-CE2 3.66Å; L72-F99 HydrophobicContact CD2-CZ 3.99Å; L72-V164 HydrophobicContact CD1-CB 4.19Å; L72-V164 HydrophobicContact CD1-CG1 4.03Å; L72-V164 HydrophobicContact CD1-CG2 4.38Å; L72-V164 HydrophobicContact CD2-CG2 4.5Å; L72-W172 HydrophobicContact CB-CD2 4.41Å; L72-W172 HydrophobicContact CB-CH2 4.31Å; L72-W172 HydrophobicContact CB-CZ2 4.12Å; L72-W172 HydrophobicContact CD1-CD2 3.92Å; L72-W172 HydrophobicContact CD1-CG 3.78Å
73F98.8Very high98.1Very high0 Ų040.9 Ų40.90%021%0.209CC..Hα-helixtrans-67.3-28.6179-68.3-16.7000113.2F69 E70 R71 L76 R77 I95 R98 F99 I102F69-F73 HydrophobicContact CB-CD2 4.5Å; F69-F73 HydrophobicContact CB-CE2 4.11Å; F69-F73 HydrophobicContact CB-CZ 4.23Å; F69-F73 AromaticContact CD1-CE1 3.98Å; F69-F73 HydrophobicContact CD1-CE1 3.98Å; F69-F73 AromaticContact CD1-CZ 3.91Å; F69-F73 HydrophobicContact CD1-CZ 3.91Å; F69-F73 HydrophobicContact CG-CZ 4.39Å; F69-F73 VanDerWaalsContact O-CB 3.23Å; F69-F73 WeakPolarHBondContact O-CB 3.26Å; F69-F73 WeakPolarHBondContact O-CD2 3.45Å; F69-F73 WeakPolarHBondContact O-CG 3.21Å; F69-F73 PolarHBondContact O-N 3.39Å; E70-F73 PolarHBondContact O-N 2.96Å; R71-F73 VanDerWaalsContact C-N 3.31Å; R71-F73 PolarHBondContact O-N 3.24Å; F73-L76 HydrophobicContact CD1-CD1 4.13Å; F73-R77 WeakPolarHBondContact O-CB 3.48Å; F73-R77 WeakPolarHBondContact O-CG 3.04Å; F73-R77 PolarHBondContact O-N 2.68Å; F73-I95 HydrophobicContact CE2-CD1 3.53Å; F73-I95 HydrophobicContact CE2-CG1 4.48Å; F73-I95 HydrophobicContact CZ-CD1 3.66Å; F73-I95 HydrophobicContact CZ-CG1 4.13Å; F73-R98 HydrophobicContact CD2-CG 4.3Å; F73-R98 HydrophobicContact CE2-CB 4.29Å; F73-R98 HydrophobicContact CE2-CG 3.74Å; F73-R98 HydrophobicContact CZ-CB 4.41Å; F73-R98 HydrophobicContact CZ-CG 4.24Å; F73-F99 HydrophobicContact CE1-CB 3.69Å; F73-F99 HydrophobicContact CE1-CD1 4.39Å; F73-F99 AromaticContact CE1-CD2 3.77Å; F73-F99 HydrophobicContact CE1-CD2 3.77Å; F73-F99 HydrophobicContact CE1-CE2 4.49Å; F73-F99 AromaticContact CE1-CG 3.7Å; F73-F99 HydrophobicContact CE1-CG 3.7Å; F73-F99 HydrophobicContact CZ-CB 3.97Å; F73-F99 HydrophobicContact CZ-CD2 4.48Å; F73-F99 HydrophobicContact CZ-CG 4.42Å; F73-I102 HydrophobicContact CB-CD1 3.62Å; F73-I102 HydrophobicContact CD1-CD1 3.57Å; F73-I102 HydrophobicContact CD2-CD1 4.05Å; F73-I102 HydrophobicContact CE1-CD1 4.21Å; F73-I102 HydrophobicContact CG-CD1 3.46Å; F73-I102 VanDerWaalsContact CG-CD1 3.46Å
74E98.7Very high98.2Very high91 Ų9138.7 Ų38.743%0.42520%0.197SC..Hα-helixtrans-63-51.3169.5-177.6-177.7-157.700111.2E70 R71 L72 L76 R77 N78E70-E74 PolarHBondContact O-N 3.25Å; R71-E74 WeakPolarHBondContact CD-OE2 3.22Å; R71-E74 IonicContact CZ-OE2 3.68Å; R71-E74 IonicContact NE-OE2 2.68Å; R71-E74 IonicContact NH1-OE2 3.62Å; R71-E74 PolarHBondContact NH1-OE2 2.83Å; R71-E74 WeakPolarHBondContact O-CB 3.26Å; R71-E74 PolarHBondContact O-N 3.18Å; L72-E74 VanDerWaalsContact C-N 3.28Å; L72-E74 PolarHBondContact O-N 2.94Å; E74-L76 VanDerWaalsContact C-N 3.31Å; E74-L76 PolarHBondContact O-N 3.45Å; E74-R77 PolarHBondContact O-N 3.31Å; E74-N78 WeakPolarHBondContact O-CB 3.33Å; E74-N78 PolarHBondContact O-N 2.72Å; E74-N78 PolarHBondContact O-ND2 3.12Å
75D98.6Very high98.3Very high9 Ų935.5 Ų35.55%0.04818%0.18CC..Hα-helixtrans-57.7-45.2177.2-71.9-17.3000111.2R71 L72 R77 N78 A79 V166 W172 R198R71-D75 IonicContact CZ-OD1 3.19Å; R71-D75 IonicContact NH1-OD1 3.69Å; R71-D75 PolarHBondContact NH1-OD1 2.97Å; R71-D75 IonicContact NH2-OD1 3.32Å; R71-D75 PolarHBondContact O-N 3.06Å; L72-D75 PolarHBondContact O-N 2.77Å; D75-R77 PolarHBondContact O-N 3.12Å; D75-N78 CarbonylContact O-C 3.54Å; D75-N78 PolarHBondContact O-N 3.03Å; D75-A79 PolarHBondContact O-N 2.95Å; D75-V166 HydrophobicContact CB-CG2 4.41Å; D75-W172 VanDerWaalsContact OD2-CZ2 3.3Å; D75-W172 WeakPolarHBondContact OD2-CZ2 3.36Å; D75-W172 PolarHBondContact OD2-NE1 3.47Å; D75-R198 IonicContact OD1-CZ 2.76Å; D75-R198 IonicContact OD1-NE 2.86Å; D75-R198 IonicContact OD1-NH2 3.74Å; D75-R198 IonicContact OD2-CZ 3.84Å; D75-R198 IonicContact OD2-NE 3.91Å; D75-R198 PolarHBondContact OD2-NE 3.13Å; D75-R198 IonicContact OD2-NH2 2.84Å
76L98.9Very high98.3Very high0 Ų035.4 Ų35.40%018%0.179CC..Hα-helixtrans-63.5-39.5178.6-67.5178.6000113.2L72 F73 E74 N78 A79 I83 F99 I102 L103 K106 V164 V166L72-L76 HydrophobicContact CD1-CD1 4.35Å; L72-L76 HydrophobicContact CD1-CG 4.19Å; L72-L76 HydrophobicContact CG-CD1 4.13Å; L72-L76 HydrophobicContact CG-CG 4.38Å; L72-L76 VanDerWaalsContact O-CG 3.3Å; L72-L76 WeakPolarHBondContact O-CG 3.37Å; L72-L76 PolarHBondContact O-N 2.96Å; F73-L76 HydrophobicContact CD1-CD1 4.13Å; E74-L76 VanDerWaalsContact C-N 3.31Å; E74-L76 PolarHBondContact O-N 3.45Å; L76-N78 VanDerWaalsContact C-N 3.3Å; L76-A79 WeakPolarHBondContact O-CB 3.39Å; L76-A79 PolarHBondContact O-N 3.15Å; L76-I83 HydrophobicContact CD2-CD1 4.08Å; L76-I83 HydrophobicContact CD2-CG1 4.18Å; L76-I83 HydrophobicContact CD2-CG2 3.59Å; L76-F99 HydrophobicContact CD1-CD1 3.85Å; L76-F99 HydrophobicContact CD1-CE1 3.29Å; L76-F99 HydrophobicContact CD1-CZ 3.69Å; L76-I102 HydrophobicContact CB-CG2 3.7Å; L76-L103 HydrophobicContact CD2-CD2 4.42Å; L76-K106 WeakPolarHBondContact O-CD 3.5Å; L76-K106 WeakPolarHBondContact O-CG 3.21Å; L76-V164 HydrophobicContact CD2-CG1 3.98Å; L76-V166 HydrophobicContact CD2-CG2 3.94Å
77R98.7Very high98.3Very high103 Ų10332.2 Ų32.239%0.38916%0.16SC..Hα-helixtrans-66.4-37.6176.4-75.1174.7-161.4119.64.8111.2F73 E74 D75 A79 I102 K106F73-R77 WeakPolarHBondContact O-CB 3.48Å; F73-R77 WeakPolarHBondContact O-CG 3.04Å; F73-R77 PolarHBondContact O-N 2.68Å; E74-R77 PolarHBondContact O-N 3.31Å; D75-R77 PolarHBondContact O-N 3.12Å; R77-A79 VanDerWaalsContact C-N 3.33Å; R77-I102 HydrophobicContact CG-CG1 4.48Å; R77-I102 HydrophobicContact CG-CG2 4.05Å; R77-K106 PolarHBondContact O-NZ 2.95Å; R77-K106 VanDerWaalsContact O-NZ 3.11Å
78N98.3Very high98.1Very high98 Ų9833.1 Ų33.152%0.52416%0.156SC..Hα-helixtrans-78.7-12.9-179.2-69.9-22.1000114E74 D75 L76 Q80E74-N78 WeakPolarHBondContact O-CB 3.33Å; E74-N78 PolarHBondContact O-N 2.72Å; E74-N78 PolarHBondContact O-ND2 3.12Å; D75-N78 CarbonylContact O-C 3.54Å; D75-N78 PolarHBondContact O-N 3.03Å; L76-N78 VanDerWaalsContact C-N 3.3Å; N78-Q80 WeakPolarHBondContact O-CG 3.47Å; N78-Q80 PolarHBondContact O-N 2.85Å; N78-Q80 PolarHBondContact O-NE2 2.85Å
79A98.3Very high97.8Very high0 Ų033.3 Ų33.30%016%0.157CC..  trans-51.8135.8177.900000112.5D75 L76 R77 I83 K106 V111 V166 D167D75-A79 PolarHBondContact O-N 2.95Å; L76-A79 WeakPolarHBondContact O-CB 3.39Å; L76-A79 PolarHBondContact O-N 3.15Å; R77-A79 VanDerWaalsContact C-N 3.33Å; A79-I83 HydrophobicContact CB-CD1 3.68Å; A79-I83 HydrophobicContact CB-CG1 3.61Å; A79-K106 WeakPolarHBondContact O-CE 3.33Å; A79-K106 PolarHBondContact O-NZ 3.14Å; A79-V111 HydrophobicContact CB-CG1 4.5Å; A79-V166 HydrophobicContact CB-CG1 3.57Å; A79-D167 WeakPolarHBondContact CA-OD2 3.2Å
80Q97.9Very high97.5Very high148 Ų14833.2 Ų33.269%0.69216%0.157SC*.SBendtrans-114.8-25.5-176.7-61-59.3-53.100113.4N78 D167N78-Q80 WeakPolarHBondContact O-CG 3.47Å; N78-Q80 PolarHBondContact O-N 2.85Å; N78-Q80 PolarHBondContact O-NE2 2.85Å; Q80-D167 VanDerWaalsContact N-CG 3.29Å; Q80-D167 PolarHBondContact N-OD1 3.29Å; Q80-D167 PolarHBondContact N-OD2 2.89Å
81S97.9Very high97.2Very high51 Ų5131.5 Ų31.536%0.35715%0.148SC..SBendtrans-126.3-52.2-173.165.40000113E112 D167S81-E112 PolarHBondContact O-N 2.88Å; S81-D167 PolarHBondContact N-OD1 3.31Å; S81-D167 PolarHBondContact OG-OD1 2.86Å
82T98.6Very high96.9Very high6 Ų632.6 Ų32.64%0.03716%0.158CC..EExtended strand (participates in β ladder)trans-143.6143.3-169.4610000112.7E112 D167 Y232T82-E112 CarbonylContact C-O 3.53Å; T82-E112 WeakPolarHBondContact CA-O 3.38Å; T82-E112 HydrophobicContact CG2-CB 4.25Å; T82-D167 PolarHBondContact N-OD1 2.89Å; T82-D167 PolarHBondContact O-N 2.79Å; T82-D167 WeakPolarHBondContact OG1-CA 3.32Å; T82-D167 PolarHBondContact OG1-N 2.86Å; T82-Y232 HydrophobicContact CG2-CD1 3.92Å; T82-Y232 HydrophobicContact CG2-CE1 3.77Å
83I98.8Very high96.5Very high0 Ų034.4 Ų34.40%017%0.167CC..EExtended strand (participates in β ladder)trans-135.4116.3170.2-63.5169.5000108.2L76 A79 V85 L103 K106 V111 E112 V113 R114 V165L76-I83 HydrophobicContact CD2-CD1 4.08Å; L76-I83 HydrophobicContact CD2-CG1 4.18Å; L76-I83 HydrophobicContact CD2-CG2 3.59Å; A79-I83 HydrophobicContact CB-CD1 3.68Å; A79-I83 HydrophobicContact CB-CG1 3.61Å; I83-V85 HydrophobicContact CG2-CG2 3.68Å; I83-L103 HydrophobicContact CB-CD2 4.5Å; I83-L103 HydrophobicContact CD1-CD2 4.26Å; I83-L103 HydrophobicContact CG2-CD2 3.54Å; I83-K106 HydrophobicContact CD1-CB 3.77Å; I83-K106 HydrophobicContact CD1-CG 3.79Å; I83-V111 HydrophobicContact CD1-CG1 4.03Å; I83-V111 HydrophobicContact CG1-CG1 3.93Å; I83-E112 PolarHBondContact N-O 3.01Å; I83-V113 HydrophobicContact CB-CG1 4.48Å; I83-V113 HydrophobicContact CB-CG2 4.26Å; I83-V113 HydrophobicContact CD1-CG2 4.41Å; I83-V113 HydrophobicContact CG2-CG1 4.47Å; I83-V113 CarbonylContact O-C 3.55Å; I83-V113 VanDerWaalsContact O-CA 3.31Å; I83-V113 WeakPolarHBondContact O-CA 3.39Å; I83-R114 PolarHBondContact O-N 3.41Å; I83-V165 WeakPolarHBondContact CA-O 3.29Å
84H98.8Very high96.3Very high0 Ų038.9 Ų38.90%020%0.197CC..EExtended strand (participates in β ladder)trans-115.4123.5175.8-66.2146.7000109.5E112 R114 V164 V165 Q208 F211 Y232H84-E112 IonicContact NE2-OE1 2.93Å; H84-R114 CarbonylContact C-O 3.6Å; H84-R114 WeakPolarHBondContact CA-O 3.49Å; H84-V164 CarbonylContact O-C 3.07Å; H84-V164 VanDerWaalsContact O-CA 3.23Å; H84-V164 WeakPolarHBondContact O-CA 3.01Å; H84-V165 HydrophobicContact CB-CB 4.31Å; H84-V165 PolarHBondContact N-O 3.43Å; H84-V165 PolarHBondContact O-N 2.92Å; H84-Q208 PolarHBondContact CE1-NE2 3.06Å; H84-Q208 VanDerWaalsContact ND1-CD 3.33Å; H84-Q208 PolarHBondContact ND1-NE2 3.06Å; H84-Q208 PolarHBondContact ND1-OE1 3.15Å; H84-F211 HydrophobicContact CB-CD1 3.61Å; H84-F211 HydrophobicContact CB-CD2 4.04Å; H84-F211 HydrophobicContact CB-CE1 3.46Å; H84-F211 VanDerWaalsContact CB-CE1 3.46Å; H84-F211 HydrophobicContact CB-CE2 3.89Å; H84-F211 HydrophobicContact CB-CG 3.91Å; H84-F211 HydrophobicContact CB-CZ 3.6Å; H84-F211 AromaticContact CD2-CE1 3.64Å; H84-F211 AromaticContact CG-CD1 3.7Å; H84-F211 AromaticContact CG-CE1 3.4Å; H84-F211 VanDerWaalsContact CG-CE1 3.4Å; H84-F211 AromaticContact CG-CZ 3.95Å; H84-F211 AromaticContact ND1-CD1 3.99Å; H84-Y232 AromaticContact CE1-CD1 3.78Å; H84-Y232 AromaticContact CE1-CE1 3.79Å
85V98.6Very high96.1Very high0 Ų034.9 Ų34.90%018%0.179CC..EExtended strand (participates in β ladder)trans-127.4129.3-170.4175.50000110.2I83 Y87 F99 L103 R114 M115 I116 I163 V164I83-V85 HydrophobicContact CG2-CG2 3.68Å; V85-Y87 HydrophobicContact CG1-CD2 3.6Å; V85-Y87 HydrophobicContact CG1-CE2 3.77Å; V85-F99 HydrophobicContact CG1-CE1 4.38Å; V85-F99 HydrophobicContact CG1-CZ 4.11Å; V85-F99 HydrophobicContact CG2-CE1 4.08Å; V85-F99 HydrophobicContact CG2-CZ 4.2Å; V85-L103 HydrophobicContact CG2-CD1 4.29Å; V85-L103 HydrophobicContact CG2-CD2 4.19Å; V85-R114 PolarHBondContact N-O 3.12Å; V85-M115 HydrophobicContact CB-CB 4.45Å; V85-M115 HydrophobicContact CB-CG 4.23Å; V85-M115 HydrophobicContact CG1-CG 4.18Å; V85-M115 CarbonylContact O-C 3.56Å; V85-M115 WeakPolarHBondContact O-CA 3.31Å; V85-I116 PolarHBondContact O-N 3.15Å; V85-I163 CarbonylContact C-O 3.57Å; V85-V164 HydrophobicContact CG1-CG2 4.37Å; V85-V164 HydrophobicContact CG2-CG1 4.02Å; V85-V164 HydrophobicContact CG2-CG2 4.35Å
86E97.1Very high96Very high0 Ų034.4 Ų34.40%018%0.177CC..EExtended strand (participates in β ladder)trans-137.2124.7178.3-173.9178.9145.100109.6I116 L159 R161 K162 I163 F211E86-I116 WeakPolarHBondContact CA-O 3.46Å; E86-I116 HydrophobicContact CB-CB 4.49Å; E86-I116 HydrophobicContact CG-CB 4.17Å; E86-L159 HydrophobicContact CG-CD2 3.59Å; E86-L159 HydrophobicContact CG-CG 4.26Å; E86-L159 WeakPolarHBondContact OE1-CD1 3.45Å; E86-L159 WeakPolarHBondContact OE1-CG 3.47Å; E86-R161 VanDerWaalsContact OE1-CB 3.25Å; E86-R161 WeakPolarHBondContact OE1-CB 3.26Å; E86-K162 CarbonylContact O-C 3.5Å; E86-K162 VanDerWaalsContact O-CA 3.28Å; E86-K162 WeakPolarHBondContact O-CA 3.47Å; E86-I163 HydrophobicContact CB-CB 4.16Å; E86-I163 PolarHBondContact N-O 3.4Å; E86-I163 PolarHBondContact O-N 2.89Å; E86-F211 HydrophobicContact CB-CD2 3.99Å; E86-F211 HydrophobicContact CB-CE2 4.25Å
87Y96.4Very high95.8Very high0 Ų038 Ų380%020%0.195CC..EExtended strand (participates in β ladder)trans-143.6138.8175.2-79.2-83.3000111K68 V85 F90 F99 I116 Y117 D118 K162 V164 F176 V178K68-Y87 PolarHBondContact NZ-OH 3.29Å; V85-Y87 HydrophobicContact CG1-CD2 3.6Å; V85-Y87 HydrophobicContact CG1-CE2 3.77Å; Y87-F90 HydrophobicContact CD2-CD2 4.2Å; Y87-F99 AromaticContact CE2-CE2 3.76Å; Y87-F99 HydrophobicContact CE2-CE2 3.76Å; Y87-F99 HydrophobicContact CE2-CZ 4Å; Y87-I116 PolarHBondContact N-O 3.32Å; Y87-Y117 WeakPolarHBondContact O-CA 3.43Å; Y87-D118 PolarHBondContact O-N 3.36Å; Y87-K162 HydrophobicContact CD1-CB 3.82Å; Y87-K162 HydrophobicContact CD1-CG 3.45Å; Y87-K162 VanDerWaalsContact CD1-CG 3.45Å; Y87-K162 HydrophobicContact CE1-CB 3.79Å; Y87-K162 HydrophobicContact CE1-CG 3.82Å; Y87-K162 HydrophobicContact CG-CG 4.47Å; Y87-V164 HydrophobicContact CE2-CG2 3.54Å; Y87-V164 WeakPolarHBondContact OH-CG2 2.94Å; Y87-F176 WeakPolarHBondContact CE1-O 3.42Å; Y87-V178 HydrophobicContact CD1-CG2 3.83Å; Y87-V178 HydrophobicContact CD2-CG2 3.8Å; Y87-V178 HydrophobicContact CE1-CG2 3.77Å; Y87-V178 HydrophobicContact CE2-CG2 3.73Å; Y87-V178 HydrophobicContact CG-CG2 3.86Å
88Y92.9Very high95.7Very high56 Ų5637.2 Ų37.222%0.2219%0.193CC..SBendtrans-55.5-65.3163176.4-120.8000111.2D118 G121 H158 L159 H160 R161Y88-D118 HydrophobicContact CD2-CB 3.55Å; Y88-D118 HydrophobicContact CE2-CB 4.04Å; Y88-D118 WeakPolarHBondContact O-CB 3.33Å; Y88-G121 CarbonylContact O-C 3.46Å; Y88-G121 WeakPolarHBondContact O-CA 3.41Å; Y88-H158 HydrophobicContact CD2-CB 4.32Å; Y88-H158 HydrophobicContact CE2-CB 3.89Å; Y88-L159 VanDerWaalsContact CA-O 3.23Å; Y88-L159 WeakPolarHBondContact CA-O 3.44Å; Y88-L159 WeakPolarHBondContact CB-O 3.39Å; Y88-L159 WeakPolarHBondContact CD2-O 3.42Å; Y88-H160 AromaticContact CD1-CD2 3.92Å; Y88-H160 AromaticContact CG-CD2 3.97Å; Y88-R161 PolarHBondContact N-O 2.93Å
89A91.4Very high95.7Very high3 Ų332.5 Ų32.53%0.02517%0.168CC..  trans-108.2126.3-178.200000111.9F91 G121 N177 V178A89-F91 HydrophobicContact CB-CE2 3.86Å; A89-F91 HydrophobicContact CB-CZ 4.28Å; A89-G121 WeakPolarHBondContact CA-O 3.19Å; A89-G121 WeakPolarHBondContact CB-O 3.2Å; A89-N177 HydrophobicContact CB-CB 3.86Å; A89-N177 PolarHBondContact N-OD1 2.88Å; A89-V178 PolarHBondContact O-N 3.38Å
90F93.2Very high95.7Very high0 Ų032.7 Ų32.70%017%0.168CC..BIsolated β-bridgetrans-137.4105.1177.1-159.8-70.8000108.8Y87 F99 M100 M115 A122 T125 F129 V178Y87-F90 HydrophobicContact CD2-CD2 4.2Å; F90-F99 HydrophobicContact CE2-CD1 4.49Å; F90-F99 HydrophobicContact CE2-CD2 4.06Å; F90-F99 HydrophobicContact CE2-CE2 4.43Å; F90-F99 HydrophobicContact CE2-CG 4.11Å; F90-F99 HydrophobicContact CZ-CB 3.99Å; F90-F99 HydrophobicContact CZ-CD1 4.49Å; F90-F99 HydrophobicContact CZ-CD2 4.38Å; F90-F99 HydrophobicContact CZ-CG 4.05Å; F90-M100 HydrophobicContact CE1-CG 3.77Å; F90-M100 HydrophobicContact CE1-SD 4.02Å; F90-M100 HydrophobicContact CZ-CG 3.93Å; F90-M100 HydrophobicContact CZ-SD 3.89Å; F90-M115 HydrophobicContact CB-CE 4.22Å; F90-M115 HydrophobicContact CD1-CE 4.03Å; F90-M115 HydrophobicContact CD2-CE 3.24Å; F90-M115 HydrophobicContact CE1-CE 4.19Å; F90-M115 HydrophobicContact CE2-CE 3.42Å; F90-M115 VanDerWaalsContact CE2-CE 3.42Å; F90-M115 HydrophobicContact CG-CE 3.56Å; F90-M115 HydrophobicContact CZ-CE 3.89Å; F90-A122 HydrophobicContact CB-CB 4.43Å; F90-A122 WeakPolarHBondContact O-CA 3.3Å; F90-A122 WeakPolarHBondContact O-CB 3.31Å; F90-T125 WeakPolarHBondContact O-CG2 3.39Å; F90-F129 AromaticContact CD1-CE1 3.83Å; F90-F129 HydrophobicContact CD1-CE1 3.83Å; F90-F129 HydrophobicContact CD1-CZ 4.19Å; F90-F129 AromaticContact CE1-CE1 3.66Å; F90-F129 HydrophobicContact CE1-CE1 3.66Å; F90-F129 AromaticContact CE1-CZ 3.77Å; F90-F129 HydrophobicContact CE1-CZ 3.77Å; F90-V178 WeakPolarHBondContact CA-O 3.43Å; F90-V178 HydrophobicContact CD1-CG1 4.45Å; F90-V178 HydrophobicContact CD2-CB 3.69Å; F90-V178 HydrophobicContact CD2-CG1 4.02Å; F90-V178 HydrophobicContact CD2-CG2 3.67Å; F90-V178 HydrophobicContact CE1-CG1 4.27Å; F90-V178 HydrophobicContact CE2-CB 3.98Å; F90-V178 HydrophobicContact CE2-CG1 3.86Å; F90-V178 HydrophobicContact CE2-CG2 3.81Å; F90-V178 HydrophobicContact CG-CB 4.07Å; F90-V178 HydrophobicContact CG-CG1 4.34Å; F90-V178 HydrophobicContact CZ-CG1 4Å
91F91.6Very high95.7Very high47 Ų4733.4 Ų33.421%0.20617%0.165CC..  trans-90.2146.3-175.1-66.6-80.3000111.6A89 D93 G96 P123 V178 Y182A89-F91 HydrophobicContact CB-CE2 3.86Å; A89-F91 HydrophobicContact CB-CZ 4.28Å; F91-D93 VanDerWaalsContact C-N 3.31Å; F91-D93 HydrophobicContact CB-CB 4.47Å; F91-D93 WeakPolarHBondContact CB-OD2 3.27Å; F91-D93 PolarHBondContact O-N 3.32Å; F91-G96 WeakPolarHBondContact O-CA 3.43Å; F91-P123 HydrophobicContact CD1-CG 3.73Å; F91-P123 HydrophobicContact CE1-CG 3.39Å; F91-P123 HydrophobicContact CZ-CG 4.48Å; F91-V178 WeakPolarHBondContact CD2-O 3.33Å; F91-V178 PolarHBondContact N-O 2.82Å; F91-Y182 HydrophobicContact CD2-CE2 4.2Å; F91-Y182 AromaticContact CE2-CE2 3.96Å; F91-Y182 HydrophobicContact CE2-CE2 3.96Å
92N91.9Very high95.8Very high73 Ų7331.3 Ų31.339%0.3915%0.15SC..SBendtrans-86.374.8168.9-179.34.4000109.6N97 F129N92-N97 PolarHBondContact OD1-ND2 3.27Å; N92-N97 PolarHBondContact OD1-OD1 3.12Å; N92-F129 HydrophobicContact CB-CD2 3.9Å; N92-F129 HydrophobicContact CB-CE2 3.72Å; N92-F129 HydrophobicContact CB-CG 4.5Å; N92-F129 HydrophobicContact CB-CZ 4.17Å; N92-F129 VanDerWaalsContact CG-CD2 3.42Å; N92-F129 VanDerWaalsContact CG-CE2 3.42Å; N92-F129 VanDerWaalsContact OD1-CE2 3.3Å; N92-F129 WeakPolarHBondContact OD1-CE2 3.24Å
93D91.8Very high95.8Very high37 Ų3731 Ų3120%0.19815%0.148CC..SBendtrans-136.7-167.3-179.262.59.1000111F91 I95 G96 N97 G179 D180F91-D93 VanDerWaalsContact C-N 3.31Å; F91-D93 HydrophobicContact CB-CB 4.47Å; F91-D93 WeakPolarHBondContact CB-OD2 3.27Å; F91-D93 PolarHBondContact O-N 3.32Å; D93-I95 PolarHBondContact O-N 3.27Å; D93-G96 PolarHBondContact O-N 3.49Å; D93-G96 PolarHBondContact OD1-N 2.75Å; D93-N97 VanDerWaalsContact O-CB 3.3Å; D93-N97 WeakPolarHBondContact O-CB 3.42Å; D93-N97 PolarHBondContact O-N 3.45Å; D93-N97 PolarHBondContact O-ND2 3.25Å; D93-G179 WeakPolarHBondContact OD2-CA 3.32Å; D93-D180 WeakPolarHBondContact CB-OD2 3.47Å; D93-D180 PolarHBondContact OD2-N 3.04Å
94C93.9Very high95.8Very high94 Ų9432.8 Ų32.864%0.63516%0.156SC*.Hα-helixtrans-59.3-51.3-170.6-172.60000112R98 D180C94-R98 WeakPolarHBondContact O-CB 3.45Å; C94-R98 PolarHBondContact O-N 3.47Å; C94-D180 WeakPolarHBondContact CB-OD1 3.33Å; C94-D180 VanDerWaalsContact CB-OD2 3.24Å; C94-D180 WeakPolarHBondContact CB-OD2 3.4Å; C94-D180 PolarHBondContact N-OD1 3.12Å; C94-D180 PolarHBondContact N-OD2 3.27Å
95I95.2Very high95.8Very high7 Ų736.7 Ų36.74%0.03617%0.174CC..Hα-helixtrans-70.4-38.2-179.1-161.965.2000112.2F69 F73 D93 R98 F99 V178 G179 D180 L183F69-I95 HydrophobicContact CB-CD1 3.96Å; F69-I95 HydrophobicContact CB-CG1 4.39Å; F69-I95 HydrophobicContact CD1-CD1 4.46Å; F69-I95 HydrophobicContact CD1-CG1 4.11Å; F69-I95 HydrophobicContact CD2-CD1 4.27Å; F69-I95 HydrophobicContact CD2-CG1 3.85Å; F69-I95 HydrophobicContact CE1-CG1 4.41Å; F69-I95 HydrophobicContact CE2-CG1 4.18Å; F69-I95 HydrophobicContact CG-CD1 3.98Å; F69-I95 HydrophobicContact CG-CG1 3.85Å; F69-I95 HydrophobicContact CZ-CG1 4.46Å; F73-I95 HydrophobicContact CE2-CD1 3.53Å; F73-I95 HydrophobicContact CE2-CG1 4.48Å; F73-I95 HydrophobicContact CZ-CD1 3.66Å; F73-I95 HydrophobicContact CZ-CG1 4.13Å; D93-I95 PolarHBondContact O-N 3.27Å; I95-R98 PolarHBondContact O-N 2.97Å; I95-F99 WeakPolarHBondContact O-CB 3.41Å; I95-F99 PolarHBondContact O-N 3.27Å; I95-V178 HydrophobicContact CG2-CG1 4.3Å; I95-G179 VanDerWaalsContact CG2-CA 3.41Å; I95-D180 WeakPolarHBondContact CB-OD1 3.19Å; I95-D180 WeakPolarHBondContact CG2-OD1 3.5Å; I95-D180 PolarHBondContact N-OD1 3.35Å; I95-L183 HydrophobicContact CB-CD1 4.11Å; I95-L183 HydrophobicContact CD1-CD1 4.34Å; I95-L183 HydrophobicContact CD1-CD2 4.36Å; I95-L183 HydrophobicContact CG1-CD1 4.39Å; I95-L183 HydrophobicContact CG1-CD2 4.27Å
96G95Very high95.8Very high0 Ų037.2 Ų37.20%018%0.176CC..Hα-helixtrans-64-41.3176.900000112.5F91 D93 F99 M100F91-G96 WeakPolarHBondContact O-CA 3.43Å; D93-G96 PolarHBondContact O-N 3.49Å; D93-G96 PolarHBondContact OD1-N 2.75Å; G96-F99 PolarHBondContact O-N 3.04Å; G96-M100 WeakPolarHBondContact O-CB 3.44Å; G96-M100 WeakPolarHBondContact O-CG 3.42Å; G96-M100 PolarHBondContact O-N 3.28Å
97N95.5Very high95.8Very high74 Ų7437.5 Ų37.540%0.39618%0.179SC..Hα-helixtrans-67.2-37.8174.6-79.9-80000112.1N92 D93 M100 R101N92-N97 PolarHBondContact OD1-ND2 3.27Å; N92-N97 PolarHBondContact OD1-OD1 3.12Å; D93-N97 VanDerWaalsContact O-CB 3.3Å; D93-N97 WeakPolarHBondContact O-CB 3.42Å; D93-N97 PolarHBondContact O-N 3.45Å; D93-N97 PolarHBondContact O-ND2 3.25Å; N97-M100 PolarHBondContact O-N 3.08Å; N97-R101 WeakPolarHBondContact O-CB 3.46Å; N97-R101 PolarHBondContact O-N 3.05Å
98R97.4Very high96Very high87 Ų8740.8 Ų40.833%0.32821%0.206SC..Hα-helixtrans-64.3-42.1174.5-174.4172.2174.2-141.7-1.3111.8E70 F73 C94 I95 I102E70-R98 VanDerWaalsContact CD-NH2 3.32Å; E70-R98 IonicContact OE1-CZ 2.8Å; E70-R98 VanDerWaalsContact OE1-CZ 3.27Å; E70-R98 IonicContact OE1-NH1 3.52Å; E70-R98 PolarHBondContact OE1-NH1 3.29Å; E70-R98 IonicContact OE1-NH2 2.91Å; E70-R98 PolarHBondContact OE1-NH2 3.36Å; E70-R98 IonicContact OE2-CZ 3.58Å; E70-R98 IonicContact OE2-NH1 3.68Å; E70-R98 IonicContact OE2-NH2 3.77Å; E70-R98 PolarHBondContact OE2-NH2 3.3Å; F73-R98 HydrophobicContact CD2-CG 4.3Å; F73-R98 HydrophobicContact CE2-CB 4.29Å; F73-R98 HydrophobicContact CE2-CG 3.74Å; F73-R98 HydrophobicContact CZ-CB 4.41Å; F73-R98 HydrophobicContact CZ-CG 4.24Å; C94-R98 WeakPolarHBondContact O-CB 3.45Å; C94-R98 PolarHBondContact O-N 3.47Å; I95-R98 PolarHBondContact O-N 2.97Å; R98-I102 WeakPolarHBondContact O-CG1 3.48Å; R98-I102 PolarHBondContact O-N 3.02Å
99F98.3Very high96.2Very high0 Ų044.2 Ų44.20%022%0.224CC..Hα-helixtrans-60.1-54.2173.7-160.7-36.6000110F69 L72 F73 L76 V85 Y87 F90 I95 G96 R101 I102 L103 V164 V178F69-F99 HydrophobicContact CD1-CD2 4.48Å; F69-F99 HydrophobicContact CE1-CD2 4.07Å; F69-F99 HydrophobicContact CE1-CE2 4.3Å; L72-F99 HydrophobicContact CD2-CE2 3.66Å; L72-F99 HydrophobicContact CD2-CZ 3.99Å; F73-F99 HydrophobicContact CE1-CB 3.69Å; F73-F99 HydrophobicContact CE1-CD1 4.39Å; F73-F99 AromaticContact CE1-CD2 3.77Å; F73-F99 HydrophobicContact CE1-CD2 3.77Å; F73-F99 HydrophobicContact CE1-CE2 4.49Å; F73-F99 AromaticContact CE1-CG 3.7Å; F73-F99 HydrophobicContact CE1-CG 3.7Å; F73-F99 HydrophobicContact CZ-CB 3.97Å; F73-F99 HydrophobicContact CZ-CD2 4.48Å; F73-F99 HydrophobicContact CZ-CG 4.42Å; L76-F99 HydrophobicContact CD1-CD1 3.85Å; L76-F99 HydrophobicContact CD1-CE1 3.29Å; L76-F99 HydrophobicContact CD1-CZ 3.69Å; V85-F99 HydrophobicContact CG1-CE1 4.38Å; V85-F99 HydrophobicContact CG1-CZ 4.11Å; V85-F99 HydrophobicContact CG2-CE1 4.08Å; V85-F99 HydrophobicContact CG2-CZ 4.2Å; Y87-F99 AromaticContact CE2-CE2 3.76Å; Y87-F99 HydrophobicContact CE2-CE2 3.76Å; Y87-F99 HydrophobicContact CE2-CZ 4Å; F90-F99 HydrophobicContact CE2-CD1 4.49Å; F90-F99 HydrophobicContact CE2-CD2 4.06Å; F90-F99 HydrophobicContact CE2-CE2 4.43Å; F90-F99 HydrophobicContact CE2-CG 4.11Å; F90-F99 HydrophobicContact CZ-CB 3.99Å; F90-F99 HydrophobicContact CZ-CD1 4.49Å; F90-F99 HydrophobicContact CZ-CD2 4.38Å; F90-F99 HydrophobicContact CZ-CG 4.05Å; I95-F99 WeakPolarHBondContact O-CB 3.41Å; I95-F99 PolarHBondContact O-N 3.27Å; G96-F99 PolarHBondContact O-N 3.04Å; F99-R101 VanDerWaalsContact C-N 3.28Å; F99-R101 PolarHBondContact O-N 2.85Å; F99-I102 PolarHBondContact O-N 2.95Å; F99-I102 VanDerWaalsContact O-N 3.07Å; F99-L103 HydrophobicContact CD1-CD1 3.84Å; F99-L103 HydrophobicContact CD1-CD2 4.33Å; F99-L103 HydrophobicContact CD1-CG 3.84Å; F99-L103 HydrophobicContact CE1-CD1 3.83Å; F99-L103 HydrophobicContact CE1-CD2 3.96Å; F99-L103 HydrophobicContact CE1-CG 3.93Å; F99-L103 PolarHBondContact O-N 3.03Å; F99-L103 VanDerWaalsContact O-N 3.14Å; F99-V164 HydrophobicContact CZ-CG2 4.27Å; F99-V178 HydrophobicContact CD2-CG1 4.03Å; F99-V178 HydrophobicContact CD2-CG2 3.87Å; F99-V178 HydrophobicContact CE2-CG2 3.93Å
100M97.6Very high96.6Very high3 Ų347.2 Ų47.22%0.01526%0.255CS..Hα-helixtrans-55.6-42.1-179.9-77.4-54.1-55.100112.9F90 G96 N97 I102 L103 E104 M115 F129 F130 L133F90-M100 HydrophobicContact CE1-CG 3.77Å; F90-M100 HydrophobicContact CE1-SD 4.02Å; F90-M100 HydrophobicContact CZ-CG 3.93Å; F90-M100 HydrophobicContact CZ-SD 3.89Å; G96-M100 WeakPolarHBondContact O-CB 3.44Å; G96-M100 WeakPolarHBondContact O-CG 3.42Å; G96-M100 PolarHBondContact O-N 3.28Å; N97-M100 PolarHBondContact O-N 3.08Å; M100-I102 VanDerWaalsContact C-N 3.31Å; M100-I102 PolarHBondContact O-N 3.25Å; M100-L103 WeakPolarHBondContact O-CB 3.45Å; M100-L103 PolarHBondContact O-N 3.48Å; M100-L103 VanDerWaalsContact O-N 3.15Å; M100-L103 HydrophobicContact SD-CD1 4.23Å; M100-E104 WeakPolarHBondContact O-CB 3.27Å; M100-E104 WeakPolarHBondContact O-CG 3.33Å; M100-E104 PolarHBondContact O-N 3.02Å; M100-M115 HydrophobicContact SD-SD 4.01Å; M100-F129 HydrophobicContact CB-CZ 4.39Å; M100-F129 HydrophobicContact CG-CD1 4.46Å; M100-F129 HydrophobicContact CG-CE1 3.55Å; M100-F129 HydrophobicContact CG-CE2 4.1Å; M100-F129 HydrophobicContact CG-CZ 3.35Å; M100-F129 HydrophobicContact SD-CE1 4.06Å; M100-F129 HydrophobicContact SD-CZ 4.45Å; M100-F130 HydrophobicContact CE-CD1 3.83Å; M100-F130 HydrophobicContact CE-CE1 4.43Å; M100-F130 HydrophobicContact SD-CD1 4.15Å; M100-F130 HydrophobicContact SD-CE1 4.15Å; M100-L133 HydrophobicContact CE-CB 3.92Å; M100-L133 HydrophobicContact CE-CD2 3.77Å; M100-L133 HydrophobicContact CE-CG 4.47Å
101R98.3Very high96.8Very high164 Ų16447.7 Ų47.762%0.61926%0.258SS*.Hα-helixtrans-59.7-40.8177.9-178173.1179.7155.43.7112.7N97 F99 E104 E105N97-R101 WeakPolarHBondContact O-CB 3.46Å; N97-R101 PolarHBondContact O-N 3.05Å; F99-R101 VanDerWaalsContact C-N 3.28Å; F99-R101 PolarHBondContact O-N 2.85Å; R101-E104 PolarHBondContact O-N 3.32Å; R101-E105 HydrophobicContact CG-CG 4.46Å; R101-E105 WeakPolarHBondContact CG-OE1 3.29Å; R101-E105 IonicContact CZ-OE1 3.67Å; R101-E105 IonicContact NE-OE1 2.8Å; R101-E105 PolarHBondContact NE-OE1 3.49Å; R101-E105 IonicContact NH2-OE1 3.89Å; R101-E105 WeakPolarHBondContact O-CB 3.38Å; R101-E105 VanDerWaalsContact O-CG 3.26Å; R101-E105 WeakPolarHBondContact O-CG 3.21Å; R101-E105 PolarHBondContact O-N 2.96Å
102I98.8Very high97.2Very high7 Ų748.4 Ų48.44%0.03626%0.262CS..Hα-helixtrans-63.9-46.1176.1-62.8165.3000109.7F73 L76 R77 R98 F99 M100 E104 E105 K106F73-I102 HydrophobicContact CB-CD1 3.62Å; F73-I102 HydrophobicContact CD1-CD1 3.57Å; F73-I102 HydrophobicContact CD2-CD1 4.05Å; F73-I102 HydrophobicContact CE1-CD1 4.21Å; F73-I102 HydrophobicContact CG-CD1 3.46Å; F73-I102 VanDerWaalsContact CG-CD1 3.46Å; L76-I102 HydrophobicContact CB-CG2 3.7Å; R77-I102 HydrophobicContact CG-CG1 4.48Å; R77-I102 HydrophobicContact CG-CG2 4.05Å; R98-I102 WeakPolarHBondContact O-CG1 3.48Å; R98-I102 PolarHBondContact O-N 3.02Å; F99-I102 PolarHBondContact O-N 2.95Å; F99-I102 VanDerWaalsContact O-N 3.07Å; M100-I102 VanDerWaalsContact C-N 3.31Å; M100-I102 PolarHBondContact O-N 3.25Å; I102-E104 VanDerWaalsContact C-N 3.32Å; I102-E104 PolarHBondContact O-N 2.72Å; I102-E105 PolarHBondContact O-N 2.71Å; I102-K106 HydrophobicContact CG2-CG 4.27Å; I102-K106 VanDerWaalsContact O-CG 3.3Å; I102-K106 WeakPolarHBondContact O-CG 3.47Å; I102-K106 PolarHBondContact O-N 3.42Å
103L98.8Very high97.5Very high0 Ų045 Ų450%024%0.244CC..Hα-helixtrans-59.2-42.7177.1-64-176.1000112.4L76 I83 V85 F99 M100 K106 A107 V113 M115 L133L76-L103 HydrophobicContact CD2-CD2 4.42Å; I83-L103 HydrophobicContact CB-CD2 4.5Å; I83-L103 HydrophobicContact CD1-CD2 4.26Å; I83-L103 HydrophobicContact CG2-CD2 3.54Å; V85-L103 HydrophobicContact CG2-CD1 4.29Å; V85-L103 HydrophobicContact CG2-CD2 4.19Å; F99-L103 HydrophobicContact CD1-CD1 3.84Å; F99-L103 HydrophobicContact CD1-CD2 4.33Å; F99-L103 HydrophobicContact CD1-CG 3.84Å; F99-L103 HydrophobicContact CE1-CD1 3.83Å; F99-L103 HydrophobicContact CE1-CD2 3.96Å; F99-L103 HydrophobicContact CE1-CG 3.93Å; F99-L103 PolarHBondContact O-N 3.03Å; F99-L103 VanDerWaalsContact O-N 3.14Å; M100-L103 WeakPolarHBondContact O-CB 3.45Å; M100-L103 PolarHBondContact O-N 3.48Å; M100-L103 VanDerWaalsContact O-N 3.15Å; M100-L103 HydrophobicContact SD-CD1 4.23Å; L103-K106 PolarHBondContact O-N 3.23Å; L103-A107 VanDerWaalsContact O-CB 3.31Å; L103-A107 WeakPolarHBondContact O-CB 3.31Å; L103-A107 PolarHBondContact O-N 3.48Å; L103-V113 HydrophobicContact CB-CG1 4.18Å; L103-V113 HydrophobicContact CD1-CG1 4.49Å; L103-V113 HydrophobicContact CD2-CG1 4.02Å; L103-V113 HydrophobicContact CG-CG1 4.46Å; L103-M115 HydrophobicContact CD1-SD 4.5Å; L103-L133 HydrophobicContact CB-CD1 4.15Å
104E98.7Very high97.8Very high36 Ų3644.1 Ų44.117%0.16824%0.238CC..Hα-helixtrans-62.9-43.7176.6-72167.6178.500112.2M100 R101 I102 A108 T132 L133 N136M100-E104 WeakPolarHBondContact O-CB 3.27Å; M100-E104 WeakPolarHBondContact O-CG 3.33Å; M100-E104 PolarHBondContact O-N 3.02Å; R101-E104 PolarHBondContact O-N 3.32Å; I102-E104 VanDerWaalsContact C-N 3.32Å; I102-E104 PolarHBondContact O-N 2.72Å; E104-A108 WeakPolarHBondContact O-CB 3.46Å; E104-A108 PolarHBondContact O-N 3.19Å; E104-T132 HydrophobicContact CB-CG2 4.16Å; E104-T132 HydrophobicContact CG-CG2 3.87Å; E104-T132 WeakPolarHBondContact OE1-CB 3.35Å; E104-L133 HydrophobicContact CG-CB 3.95Å; E104-N136 PolarHBondContact O-ND2 2.89Å
105E98.7Very high98Very high82 Ų8239.6 Ų39.638%0.38321%0.207SC..Hα-helixtrans-64.3-43.2177-75.2171.5-170.500111.3R101 I102 A108 Q109R101-E105 HydrophobicContact CG-CG 4.46Å; R101-E105 WeakPolarHBondContact CG-OE1 3.29Å; R101-E105 IonicContact CZ-OE1 3.67Å; R101-E105 IonicContact NE-OE1 2.8Å; R101-E105 PolarHBondContact NE-OE1 3.49Å; R101-E105 IonicContact NH2-OE1 3.89Å; R101-E105 WeakPolarHBondContact O-CB 3.38Å; R101-E105 VanDerWaalsContact O-CG 3.26Å; R101-E105 WeakPolarHBondContact O-CG 3.21Å; R101-E105 PolarHBondContact O-N 2.96Å; I102-E105 PolarHBondContact O-N 2.71Å; E105-A108 PolarHBondContact O-N 3.04Å; E105-Q109 VanDerWaalsContact O-CG 3.29Å; E105-Q109 WeakPolarHBondContact O-CG 3.48Å; E105-Q109 PolarHBondContact O-N 3.11Å; E105-Q109 VanDerWaalsContact O-N 3.16Å
106K98.8Very high97.9Very high11 Ų1139.3 Ų39.35%0.04821%0.206CC..Hα-helixtrans-68.4-42.6177.5-64.5-53-57.3-177.40112.5L76 R77 A79 I83 I102 L103 A108 Q109 G110 V111 V113L76-K106 WeakPolarHBondContact O-CD 3.5Å; L76-K106 WeakPolarHBondContact O-CG 3.21Å; R77-K106 PolarHBondContact O-NZ 2.95Å; R77-K106 VanDerWaalsContact O-NZ 3.11Å; A79-K106 WeakPolarHBondContact O-CE 3.33Å; A79-K106 PolarHBondContact O-NZ 3.14Å; I83-K106 HydrophobicContact CD1-CB 3.77Å; I83-K106 HydrophobicContact CD1-CG 3.79Å; I102-K106 HydrophobicContact CG2-CG 4.27Å; I102-K106 VanDerWaalsContact O-CG 3.3Å; I102-K106 WeakPolarHBondContact O-CG 3.47Å; I102-K106 PolarHBondContact O-N 3.42Å; L103-K106 PolarHBondContact O-N 3.23Å; K106-A108 VanDerWaalsContact C-N 3.29Å; K106-A108 PolarHBondContact O-N 2.59Å; K106-Q109 CarbonylContact O-C 3.47Å; K106-Q109 WeakPolarHBondContact O-CA 3.33Å; K106-Q109 WeakPolarHBondContact O-CB 3.32Å; K106-Q109 PolarHBondContact O-N 2.73Å; K106-G110 PolarHBondContact O-N 3.14Å; K106-V111 HydrophobicContact CB-CB 4.07Å; K106-V111 HydrophobicContact CB-CG1 4.4Å; K106-V111 HydrophobicContact CB-CG2 4.3Å; K106-V111 WeakPolarHBondContact O-CB 3.45Å; K106-V111 PolarHBondContact O-N 3.46Å; K106-V111 VanDerWaalsContact O-N 3.09Å; K106-V113 HydrophobicContact CB-CG2 4.5Å
107A98.8Very high97.8Very high7 Ų740.8 Ų40.86%0.05821%0.212CC..Hα-helixtrans-58.6-42.2173.500000111.5L103 Q109 G110 V113 L133 N136L103-A107 VanDerWaalsContact O-CB 3.31Å; L103-A107 WeakPolarHBondContact O-CB 3.31Å; L103-A107 PolarHBondContact O-N 3.48Å; A107-Q109 PolarHBondContact O-N 3Å; A107-G110 PolarHBondContact O-N 3.27Å; A107-V113 HydrophobicContact CB-CB 4.35Å; A107-V113 HydrophobicContact CB-CG2 3.9Å; A107-L133 HydrophobicContact CB-CD1 3.77Å; A107-N136 CarbonylContact C-O 3.33Å; A107-N136 HydrophobicContact CB-CB 3.82Å
108A98.6Very high97.6Very high68 Ų6837.4 Ų37.456%0.56219%0.194SC*.Hα-helixtrans-64.8-25.7176.200000113.5E104 E105 K106 G110 N136E104-A108 WeakPolarHBondContact O-CB 3.46Å; E104-A108 PolarHBondContact O-N 3.19Å; E105-A108 PolarHBondContact O-N 3.04Å; K106-A108 VanDerWaalsContact C-N 3.29Å; K106-A108 PolarHBondContact O-N 2.59Å; A108-G110 VanDerWaalsContact C-N 3.25Å; A108-N136 HydrophobicContact CB-CB 4.28Å
109Q98.6Very high97Very high129 Ų12936.4 Ų36.460%0.60320%0.198SC*.THydrogen-bonded Turntrans-81.8-1.4174-68.3166.816.400113E105 K106 A107E105-Q109 VanDerWaalsContact O-CG 3.29Å; E105-Q109 WeakPolarHBondContact O-CG 3.48Å; E105-Q109 PolarHBondContact O-N 3.11Å; E105-Q109 VanDerWaalsContact O-N 3.16Å; K106-Q109 CarbonylContact O-C 3.47Å; K106-Q109 WeakPolarHBondContact O-CA 3.33Å; K106-Q109 WeakPolarHBondContact O-CB 3.32Å; K106-Q109 PolarHBondContact O-N 2.73Å; A107-Q109 PolarHBondContact O-N 3Å
110G98.4Very high96.2Very high66 Ų6644 Ų4468%0.6823%0.227SC*.THydrogen-bonded Turntrans90.86.3179.500000114.8K106 A107 A108K106-G110 PolarHBondContact O-N 3.14Å; A107-G110 PolarHBondContact O-N 3.27Å; A108-G110 VanDerWaalsContact C-N 3.25Å
111V98.7Very high95.3Very high9 Ų944.1 Ų44.16%0.05523%0.229CC..  trans-67.9133.1169.9176.40000108.8A79 I83 K106 V113A79-V111 HydrophobicContact CB-CG1 4.5Å; I83-V111 HydrophobicContact CD1-CG1 4.03Å; I83-V111 HydrophobicContact CG1-CG1 3.93Å; K106-V111 HydrophobicContact CB-CB 4.07Å; K106-V111 HydrophobicContact CB-CG1 4.4Å; K106-V111 HydrophobicContact CB-CG2 4.3Å; K106-V111 WeakPolarHBondContact O-CB 3.45Å; K106-V111 PolarHBondContact O-N 3.46Å; K106-V111 VanDerWaalsContact O-N 3.09Å; V111-V113 HydrophobicContact CG1-CG2 4.36Å; V111-V113 PolarHBondContact O-N 3.06Å
112E98.7Very high94.3Very high63 Ų6336.6 Ų36.629%0.29420%0.201SC..EExtended strand (participates in β ladder)trans-70.7116.4174.7179.2173.393.200109.6S81 T82 I83 H84 R114 Y232S81-E112 PolarHBondContact O-N 2.88Å; T82-E112 CarbonylContact C-O 3.53Å; T82-E112 WeakPolarHBondContact CA-O 3.38Å; T82-E112 HydrophobicContact CG2-CB 4.25Å; I83-E112 PolarHBondContact N-O 3.01Å; H84-E112 IonicContact NE2-OE1 2.93Å; E112-R114 IonicContact OE1-CZ 3.08Å; E112-R114 IonicContact OE1-NE 3.69Å; E112-R114 IonicContact OE1-NH1 3.86Å; E112-R114 PolarHBondContact OE1-NH1 2.8Å; E112-R114 IonicContact OE1-NH2 2.69Å; E112-R114 PolarHBondContact OE1-NH2 3.49Å; E112-R114 IonicContact OE2-CZ 3.27Å; E112-R114 IonicContact OE2-NH1 3.54Å; E112-R114 IonicContact OE2-NH2 3.74Å; E112-R114 PolarHBondContact OE2-NH2 2.53Å; E112-Y232 VanDerWaalsContact OE1-CE1 3.24Å; E112-Y232 WeakPolarHBondContact OE1-CE1 3.41Å; E112-Y232 VanDerWaalsContact OE1-CZ 3.29Å; E112-Y232 PolarHBondContact OE1-OH 3.44Å
113V98.8Very high92.9Very high2 Ų239.3 Ų39.31%0.01222%0.219CC..EExtended strand (participates in β ladder)trans-115.2123.3179-175.30000110.4I83 L103 K106 A107 V111 L133 G138 K139I83-V113 HydrophobicContact CB-CG1 4.48Å; I83-V113 HydrophobicContact CB-CG2 4.26Å; I83-V113 HydrophobicContact CD1-CG2 4.41Å; I83-V113 HydrophobicContact CG2-CG1 4.47Å; I83-V113 CarbonylContact O-C 3.55Å; I83-V113 VanDerWaalsContact O-CA 3.31Å; I83-V113 WeakPolarHBondContact O-CA 3.39Å; L103-V113 HydrophobicContact CB-CG1 4.18Å; L103-V113 HydrophobicContact CD1-CG1 4.49Å; L103-V113 HydrophobicContact CD2-CG1 4.02Å; L103-V113 HydrophobicContact CG-CG1 4.46Å; K106-V113 HydrophobicContact CB-CG2 4.5Å; A107-V113 HydrophobicContact CB-CB 4.35Å; A107-V113 HydrophobicContact CB-CG2 3.9Å; V111-V113 HydrophobicContact CG1-CG2 4.36Å; V111-V113 PolarHBondContact O-N 3.06Å; V113-L133 HydrophobicContact CB-CD1 4.08Å; V113-L133 HydrophobicContact CG1-CD1 3.89Å; V113-L133 HydrophobicContact CG1-CD2 4.35Å; V113-G138 CarbonylContact O-C 3.54Å; V113-G138 VanDerWaalsContact O-CA 3.31Å; V113-G138 WeakPolarHBondContact O-CA 3.47Å; V113-K139 PolarHBondContact O-N 3.2Å
114R98.5Very high91.6Very high17 Ų1748 Ų486%0.06426%0.257CS..EExtended strand (participates in β ladder)trans-125.9136.6171.2-57.4-171.4177.51160.7111.3I83 H84 V85 E112 K139 F211 W215 M226 Y232I83-R114 PolarHBondContact O-N 3.41Å; H84-R114 CarbonylContact C-O 3.6Å; H84-R114 WeakPolarHBondContact CA-O 3.49Å; V85-R114 PolarHBondContact N-O 3.12Å; E112-R114 IonicContact OE1-CZ 3.08Å; E112-R114 IonicContact OE1-NE 3.69Å; E112-R114 IonicContact OE1-NH1 3.86Å; E112-R114 PolarHBondContact OE1-NH1 2.8Å; E112-R114 IonicContact OE1-NH2 2.69Å; E112-R114 PolarHBondContact OE1-NH2 3.49Å; E112-R114 IonicContact OE2-CZ 3.27Å; E112-R114 IonicContact OE2-NH1 3.54Å; E112-R114 IonicContact OE2-NH2 3.74Å; E112-R114 PolarHBondContact OE2-NH2 2.53Å; R114-K139 CarbonylContact C-O 3.29Å; R114-K139 VanDerWaalsContact CA-O 3.3Å; R114-K139 WeakPolarHBondContact CA-O 3.32Å; R114-K139 HydrophobicContact CG-CB 4.32Å; R114-F211 HydrophobicContact CB-CE1 4.16Å; R114-F211 HydrophobicContact CB-CZ 3.84Å; R114-W215 HydrophobicContact CB-CE3 4.02Å; R114-W215 HydrophobicContact CB-CH2 4.15Å; R114-W215 HydrophobicContact CB-CZ3 3.76Å; R114-W215 HydrophobicContact CG-CH2 4.3Å; R114-W215 HydrophobicContact CG-CZ2 4.47Å; R114-W215 HydrophobicContact CG-CZ3 4.38Å; R114-M226 WeakPolarHBondContact CD-SD 3.19Å; R114-M226 PolarHBondContact NH1-SD 3.47Å; R114-Y232 PolarHBondContact NH1-OH 2.91Å; R114-Y232 PolarHBondContact NH2-OH 3.39Å
115M97.3Very high90.5Very high0 Ų047 Ų470%025%0.254CS..EExtended strand (participates in β ladder)trans-130.9131.6-178.3-175-179.4-178.800112.2V85 F90 M100 L103 F130 K139 V140 A141V85-M115 HydrophobicContact CB-CB 4.45Å; V85-M115 HydrophobicContact CB-CG 4.23Å; V85-M115 HydrophobicContact CG1-CG 4.18Å; V85-M115 CarbonylContact O-C 3.56Å; V85-M115 WeakPolarHBondContact O-CA 3.31Å; F90-M115 HydrophobicContact CB-CE 4.22Å; F90-M115 HydrophobicContact CD1-CE 4.03Å; F90-M115 HydrophobicContact CD2-CE 3.24Å; F90-M115 HydrophobicContact CE1-CE 4.19Å; F90-M115 HydrophobicContact CE2-CE 3.42Å; F90-M115 VanDerWaalsContact CE2-CE 3.42Å; F90-M115 HydrophobicContact CG-CE 3.56Å; F90-M115 HydrophobicContact CZ-CE 3.89Å; M100-M115 HydrophobicContact SD-SD 4.01Å; L103-M115 HydrophobicContact CD1-SD 4.5Å; M115-F130 HydrophobicContact CE-CE1 3.99Å; M115-F130 HydrophobicContact SD-CD1 4.26Å; M115-F130 HydrophobicContact SD-CE1 3.7Å; M115-K139 PolarHBondContact N-O 3.31Å; M115-V140 HydrophobicContact CB-CG1 4.31Å; M115-V140 HydrophobicContact CB-CG2 4.23Å; M115-V140 CarbonylContact O-C 3.57Å; M115-V140 VanDerWaalsContact O-CA 3.29Å; M115-V140 WeakPolarHBondContact O-CA 3.36Å; M115-A141 PolarHBondContact O-N 3.14Å
116I94.7Very high89.6Confident0 Ų047.4 Ų47.40%026%0.259CS..EExtended strand (participates in β ladder)trans-113.8138.4170.4-51.8169.5000108.3V85 E86 Y87 A141 F143 L159 F211 D214 W215V85-I116 PolarHBondContact O-N 3.15Å; E86-I116 WeakPolarHBondContact CA-O 3.46Å; E86-I116 HydrophobicContact CB-CB 4.49Å; E86-I116 HydrophobicContact CG-CB 4.17Å; Y87-I116 PolarHBondContact N-O 3.32Å; I116-A141 WeakPolarHBondContact CA-O 3.04Å; I116-F143 HydrophobicContact CG2-CB 3.95Å; I116-F143 HydrophobicContact CG2-CD2 4.15Å; I116-L159 HydrophobicContact CB-CD2 4.49Å; I116-L159 HydrophobicContact CG2-CD2 3.59Å; I116-F211 HydrophobicContact CD1-CD2 3.94Å; I116-F211 HydrophobicContact CD1-CE2 3.62Å; I116-F211 HydrophobicContact CD1-CZ 4.04Å; I116-F211 HydrophobicContact CG1-CE2 3.83Å; I116-F211 HydrophobicContact CG1-CZ 4.15Å; I116-D214 HydrophobicContact CD1-CB 3.95Å; I116-W215 HydrophobicContact CD1-CB 3.91Å; I116-W215 HydrophobicContact CD1-CE3 4.19Å; I116-W215 VanDerWaalsContact CD1-N 3.31Å; I116-W215 HydrophobicContact CG1-CE3 3.71Å; I116-W215 HydrophobicContact CG1-CZ3 4.31Å
117Y92.2Very high88.6Confident32 Ų3256.1 Ų56.113%0.12530%0.297CS..EExtended strand (participates in β ladder)trans-139.8152.2173.771.1-82.3000111.7Y87 A122 F130 V140 A141 P142 F143Y87-Y117 WeakPolarHBondContact O-CA 3.43Å; Y117-A122 HydrophobicContact CD2-CB 3.62Å; Y117-A122 HydrophobicContact CE2-CB 4.25Å; Y117-A122 HydrophobicContact CG-CB 4.48Å; Y117-F130 HydrophobicContact CD1-CE2 4.19Å; Y117-F130 AromaticContact CD1-CZ 3.95Å; Y117-F130 HydrophobicContact CD1-CZ 3.95Å; Y117-F130 AromaticContact CE1-CE2 3.68Å; Y117-F130 HydrophobicContact CE1-CE2 3.68Å; Y117-F130 AromaticContact CE1-CZ 3.93Å; Y117-F130 HydrophobicContact CE1-CZ 3.93Å; Y117-F130 HydrophobicContact CG-CZ 4.39Å; Y117-F130 AromaticContact CZ-CE2 3.88Å; Y117-V140 HydrophobicContact CD1-CG1 3.89Å; Y117-V140 HydrophobicContact CE1-CG1 3.79Å; Y117-A141 PolarHBondContact N-O 2.98Å; Y117-P142 HydrophobicContact CE1-CB 4.15Å; Y117-P142 HydrophobicContact CE2-CB 4.39Å; Y117-F143 PolarHBondContact O-N 2.96Å
118D90.1Very high88.1Confident3 Ų359.9 Ų59.92%0.01632%0.322CS..  trans-81.7125.7171.1-164.4-69.1000110.9Y87 Y88 W120 G121 A122 H158 L159Y87-D118 PolarHBondContact O-N 3.36Å; Y88-D118 HydrophobicContact CD2-CB 3.55Å; Y88-D118 HydrophobicContact CE2-CB 4.04Å; Y88-D118 WeakPolarHBondContact O-CB 3.33Å; D118-W120 PolarHBondContact O-N 2.76Å; D118-W120 WeakPolarHBondContact OD1-CA 3.49Å; D118-W120 VanDerWaalsContact OD1-CB 3.24Å; D118-W120 WeakPolarHBondContact OD1-CB 3.21Å; D118-W120 PolarHBondContact OD1-N 3.19Å; D118-G121 PolarHBondContact O-N 3.2Å; D118-A122 WeakPolarHBondContact O-CB 3.33Å; D118-A122 PolarHBondContact O-N 3.16Å; D118-A122 VanDerWaalsContact O-N 3.13Å; D118-H158 IonicContact OD1-ND1 2.77Å; D118-H158 VanDerWaalsContact OD2-CA 3.26Å; D118-H158 WeakPolarHBondContact OD2-CA 3.05Å; D118-H158 IonicContact OD2-CG 2.71Å; D118-H158 IonicContact OD2-ND1 3.49Å; D118-L159 HydrophobicContact CB-CB 4.14Å; D118-L159 PolarHBondContact OD2-N 2.83Å
119P84.9Confident87.8Confident65 Ų6557.4 Ų57.442%0.42230%0.299SS..THydrogen-bonded Turntrans-59.1-26.6177.7-26.436.2000115.1P142P119-P142 HydrophobicContact CG-CB 3.84Å
120W81.6Confident87.6Confident161 Ų16151.5 Ų51.561%0.6127%0.271SS*.THydrogen-bonded Turntrans-80.8-36177.1-73.176000112.5D118 L155 H158D118-W120 PolarHBondContact O-N 2.76Å; D118-W120 WeakPolarHBondContact OD1-CA 3.49Å; D118-W120 VanDerWaalsContact OD1-CB 3.24Å; D118-W120 WeakPolarHBondContact OD1-CB 3.21Å; D118-W120 PolarHBondContact OD1-N 3.19Å; W120-L155 HydrophobicContact CZ2-CD2 4.11Å; W120-H158 AromaticContact CD1-CE1 3.32Å; W120-H158 AromaticContact CD1-ND1 3.67Å; W120-H158 AromaticContact CD2-CE1 3.51Å; W120-H158 AromaticContact CE2-CE1 3.75Å; W120-H158 AromaticContact CG-CE1 3.25Å; W120-H158 AromaticContact CG-ND1 3.77Å; W120-H158 AromaticContact NE1-CE1 3.61Å
121G79.5Confident87.4Confident5 Ų551 Ų515%0.05226%0.257CS..THydrogen-bonded Turntrans-79.9-17.4-179.600000114.1Y88 A89 D118 P123Y88-G121 CarbonylContact O-C 3.46Å; Y88-G121 WeakPolarHBondContact O-CA 3.41Å; A89-G121 WeakPolarHBondContact CA-O 3.19Å; A89-G121 WeakPolarHBondContact CB-O 3.2Å; D118-G121 PolarHBondContact O-N 3.2Å; G121-P123 WeakPolarHBondContact O-CD 3.26Å
122A77.8Confident87.4Confident5 Ų553.4 Ų53.44%0.04127%0.272CS..  trans-111.966.5-17500000113.1F90 Y117 D118 K124 T125F90-A122 HydrophobicContact CB-CB 4.43Å; F90-A122 WeakPolarHBondContact O-CA 3.3Å; F90-A122 WeakPolarHBondContact O-CB 3.31Å; Y117-A122 HydrophobicContact CD2-CB 3.62Å; Y117-A122 HydrophobicContact CE2-CB 4.25Å; Y117-A122 HydrophobicContact CG-CB 4.48Å; D118-A122 WeakPolarHBondContact O-CB 3.33Å; D118-A122 PolarHBondContact O-N 3.16Å; D118-A122 VanDerWaalsContact O-N 3.13Å; A122-K124 PolarHBondContact O-N 2.9Å; A122-T125 HydrophobicContact CB-CG2 3.95Å; A122-T125 VanDerWaalsContact CB-OG1 3.23Å; A122-T125 WeakPolarHBondContact CB-OG1 3.13Å; A122-T125 PolarHBondContact O-N 2.89Å; A122-T125 PolarHBondContact O-OG1 3.17Å
123P68.8Low87.4Confident64 Ų6450.4 Ų50.442%0.41626%0.258SS..THydrogen-bonded Turntrans-64.2138.9179.228.4-33.7000110.4F91 G121 T125F91-P123 HydrophobicContact CD1-CG 3.73Å; F91-P123 HydrophobicContact CE1-CG 3.39Å; F91-P123 HydrophobicContact CZ-CG 4.48Å; G121-P123 WeakPolarHBondContact O-CD 3.26Å; P123-T125 PolarHBondContact O-N 2.9Å
124K71.7Confident87.3Confident182 Ų18254.6 Ų54.679%0.79128%0.28SS*.THydrogen-bonded Turntrans67.85-179.9-48.5174.7-179.5174.30115.7A122 N126A122-K124 PolarHBondContact O-N 2.9Å; K124-N126 PolarHBondContact O-N 3.36Å; K124-N126 VanDerWaalsContact O-N 3.12Å
125T75.2Confident87.3Confident16 Ų1662.2 Ų62.210%0.09831%0.313CS..  trans-7699.7163.361.90000107.7F90 A122 P123 F129 F130F90-T125 WeakPolarHBondContact O-CG2 3.39Å; A122-T125 HydrophobicContact CB-CG2 3.95Å; A122-T125 VanDerWaalsContact CB-OG1 3.23Å; A122-T125 WeakPolarHBondContact CB-OG1 3.13Å; A122-T125 PolarHBondContact O-N 2.89Å; A122-T125 PolarHBondContact O-OG1 3.17Å; P123-T125 PolarHBondContact O-N 2.9Å; T125-F129 HydrophobicContact CG2-CD1 3.7Å; T125-F129 HydrophobicContact CG2-CE1 3.83Å; T125-F129 HydrophobicContact CG2-CG 4.43Å; T125-F130 HydrophobicContact CG2-CZ 4.26Å
126N79Confident87.3Confident91 Ų9164.7 Ų64.749%0.48733%0.326SS..  trans-102.5174.2175.465.144.9000109.5K124 S128 F129K124-N126 PolarHBondContact O-N 3.36Å; K124-N126 VanDerWaalsContact O-N 3.12Å; N126-S128 PolarHBondContact O-N 3.43Å; N126-S128 WeakPolarHBondContact OD1-CA 3.34Å; N126-S128 WeakPolarHBondContact OD1-CB 3.36Å; N126-S128 PolarHBondContact OD1-N 3.39Å; N126-F129 VanDerWaalsContact O-CB 3.29Å; N126-F129 WeakPolarHBondContact O-CB 2.74Å; N126-F129 PolarHBondContact O-N 2.89Å; N126-F129 PolarHBondContact OD1-N 3.12Å
127K79.2Confident87.5Confident194 Ų19467.5 Ų67.584%0.84336%0.356SS*.THydrogen-bonded Turntrans-54.3-28.1179-68.5-175.2178-177.30113.7F129 S131K127-F129 VanDerWaalsContact C-N 3.34Å; K127-S131 PolarHBondContact O-N 3.25Å
128S87.8Confident87.7Confident85 Ų8566.2 Ų66.259%0.59435%0.352SS*.THydrogen-bonded Turntrans-72.5-26.8176.6-169.20000112.9N126 F130 S131N126-S128 PolarHBondContact O-N 3.43Å; N126-S128 WeakPolarHBondContact OD1-CA 3.34Å; N126-S128 WeakPolarHBondContact OD1-CB 3.36Å; N126-S128 PolarHBondContact OD1-N 3.39Å; S128-F130 VanDerWaalsContact C-N 3.26Å; S128-F130 PolarHBondContact O-N 3.27Å; S128-S131 PolarHBondContact O-N 2.97Å; S128-S131 PolarHBondContact O-OG 2.87Å
129F91.8Very high88.1Confident17 Ų1769.7 Ų69.78%0.07537%0.367CS..THydrogen-bonded Turntrans-65.6-33.6176.6-177.4-113.7000111.7F90 N92 M100 T125 N126 K127F90-F129 AromaticContact CD1-CE1 3.83Å; F90-F129 HydrophobicContact CD1-CE1 3.83Å; F90-F129 HydrophobicContact CD1-CZ 4.19Å; F90-F129 AromaticContact CE1-CE1 3.66Å; F90-F129 HydrophobicContact CE1-CE1 3.66Å; F90-F129 AromaticContact CE1-CZ 3.77Å; F90-F129 HydrophobicContact CE1-CZ 3.77Å; N92-F129 HydrophobicContact CB-CD2 3.9Å; N92-F129 HydrophobicContact CB-CE2 3.72Å; N92-F129 HydrophobicContact CB-CG 4.5Å; N92-F129 HydrophobicContact CB-CZ 4.17Å; N92-F129 VanDerWaalsContact CG-CD2 3.42Å; N92-F129 VanDerWaalsContact CG-CE2 3.42Å; N92-F129 VanDerWaalsContact OD1-CE2 3.3Å; N92-F129 WeakPolarHBondContact OD1-CE2 3.24Å; M100-F129 HydrophobicContact CB-CZ 4.39Å; M100-F129 HydrophobicContact CG-CD1 4.46Å; M100-F129 HydrophobicContact CG-CE1 3.55Å; M100-F129 HydrophobicContact CG-CE2 4.1Å; M100-F129 HydrophobicContact CG-CZ 3.35Å; M100-F129 HydrophobicContact SD-CE1 4.06Å; M100-F129 HydrophobicContact SD-CZ 4.45Å; T125-F129 HydrophobicContact CG2-CD1 3.7Å; T125-F129 HydrophobicContact CG2-CE1 3.83Å; T125-F129 HydrophobicContact CG2-CG 4.43Å; N126-F129 VanDerWaalsContact O-CB 3.29Å; N126-F129 WeakPolarHBondContact O-CB 2.74Å; N126-F129 PolarHBondContact O-N 2.89Å; N126-F129 PolarHBondContact OD1-N 3.12Å; K127-F129 VanDerWaalsContact C-N 3.34Å
130F94.2Very high88.6Confident5 Ų568.1 Ų68.12%0.02236%0.356CS..THydrogen-bonded Turntrans-97.91.2-179.6-56.5-65.6000113.8M100 M115 Y117 T125 S128 T132 L133 I134 V140M100-F130 HydrophobicContact CE-CD1 3.83Å; M100-F130 HydrophobicContact CE-CE1 4.43Å; M100-F130 HydrophobicContact SD-CD1 4.15Å; M100-F130 HydrophobicContact SD-CE1 4.15Å; M115-F130 HydrophobicContact CE-CE1 3.99Å; M115-F130 HydrophobicContact SD-CD1 4.26Å; M115-F130 HydrophobicContact SD-CE1 3.7Å; Y117-F130 HydrophobicContact CD1-CE2 4.19Å; Y117-F130 AromaticContact CD1-CZ 3.95Å; Y117-F130 HydrophobicContact CD1-CZ 3.95Å; Y117-F130 AromaticContact CE1-CE2 3.68Å; Y117-F130 HydrophobicContact CE1-CE2 3.68Å; Y117-F130 AromaticContact CE1-CZ 3.93Å; Y117-F130 HydrophobicContact CE1-CZ 3.93Å; Y117-F130 HydrophobicContact CG-CZ 4.39Å; Y117-F130 AromaticContact CZ-CE2 3.88Å; T125-F130 HydrophobicContact CG2-CZ 4.26Å; S128-F130 VanDerWaalsContact C-N 3.26Å; S128-F130 PolarHBondContact O-N 3.27Å; F130-T132 PolarHBondContact O-N 2.76Å; F130-L133 PolarHBondContact O-N 3.25Å; F130-I134 HydrophobicContact CB-CD1 4.07Å; F130-I134 WeakPolarHBondContact O-CG1 3.04Å; F130-I134 PolarHBondContact O-N 3.36Å; F130-V140 HydrophobicContact CB-CB 4.49Å; F130-V140 HydrophobicContact CB-CG2 4.04Å; F130-V140 HydrophobicContact CD1-CG1 3.99Å; F130-V140 HydrophobicContact CD1-CG2 4.08Å; F130-V140 HydrophobicContact CD2-CG1 4.14Å; F130-V140 HydrophobicContact CE1-CG1 4.14Å; F130-V140 HydrophobicContact CE2-CG1 4.27Å; F130-V140 HydrophobicContact CG-CB 4.42Å; F130-V140 HydrophobicContact CG-CG1 3.98Å; F130-V140 HydrophobicContact CG-CG2 4.16Å; F130-V140 HydrophobicContact CZ-CG1 4.27Å
131S95.6Very high89.1Confident55 Ų5560.8 Ų60.839%0.38533%0.33SS..Hα-helixtrans-65.7-36.6-16759.70000113.4K127 S128 K135K127-S131 PolarHBondContact O-N 3.25Å; S128-S131 PolarHBondContact O-N 2.97Å; S128-S131 PolarHBondContact O-OG 2.87Å; S131-K135 VanDerWaalsContact O-CB 3.26Å; S131-K135 WeakPolarHBondContact O-CB 3.45Å; S131-K135 PolarHBondContact O-N 3.44Å
132T97.5Very high89.6Confident60 Ų6062.6 Ų62.637%0.36834%0.341SS..Hα-helixtrans-69.7-43.1178.7-54.90000110.5E104 F130 I134 K135 N136E104-T132 HydrophobicContact CB-CG2 4.16Å; E104-T132 HydrophobicContact CG-CG2 3.87Å; E104-T132 WeakPolarHBondContact OE1-CB 3.35Å; F130-T132 PolarHBondContact O-N 2.76Å; T132-I134 VanDerWaalsContact C-N 3.33Å; T132-I134 PolarHBondContact O-N 3.29Å; T132-K135 WeakPolarHBondContact O-CB 3.04Å; T132-K135 PolarHBondContact O-N 2.91Å; T132-N136 WeakPolarHBondContact O-CB 3.47Å; T132-N136 VanDerWaalsContact O-CG 3.26Å; T132-N136 PolarHBondContact O-N 3.24Å
133L98.3Very high90Very high0 Ų062.9 Ų62.90%034%0.341CS..Hα-helixtrans-58-47.9175.5177.359.1000110.9M100 L103 E104 A107 V113 F130 K135 N136 G137 G138 V140M100-L133 HydrophobicContact CE-CB 3.92Å; M100-L133 HydrophobicContact CE-CD2 3.77Å; M100-L133 HydrophobicContact CE-CG 4.47Å; L103-L133 HydrophobicContact CB-CD1 4.15Å; E104-L133 HydrophobicContact CG-CB 3.95Å; A107-L133 HydrophobicContact CB-CD1 3.77Å; V113-L133 HydrophobicContact CB-CD1 4.08Å; V113-L133 HydrophobicContact CG1-CD1 3.89Å; V113-L133 HydrophobicContact CG1-CD2 4.35Å; F130-L133 PolarHBondContact O-N 3.25Å; L133-K135 PolarHBondContact O-N 3.46Å; L133-N136 CarbonylContact O-C 3.58Å; L133-N136 PolarHBondContact O-N 3.09Å; L133-G137 PolarHBondContact O-N 3.33Å; L133-G138 WeakPolarHBondContact O-CA 3.07Å; L133-G138 PolarHBondContact O-N 3.22Å; L133-V140 HydrophobicContact CD2-CG2 3.69Å; L133-V140 HydrophobicContact CG-CG2 4.4Å
134I97.5Very high90.1Very high90 Ų9063.2 Ų63.246%0.46234%0.339SS..Hα-helixtrans-62.5-43177.9-66.5165.3000111.4F130 T132 N136 G137 G138 V140F130-I134 HydrophobicContact CB-CD1 4.07Å; F130-I134 WeakPolarHBondContact O-CG1 3.04Å; F130-I134 PolarHBondContact O-N 3.36Å; T132-I134 VanDerWaalsContact C-N 3.33Å; T132-I134 PolarHBondContact O-N 3.29Å; I134-N136 PolarHBondContact O-N 3.48Å; I134-G137 PolarHBondContact O-N 3.09Å; I134-G138 WeakPolarHBondContact CA-O 3.31Å; I134-V140 HydrophobicContact CG1-CG2 4.32Å
135K98Very high89.6Confident177 Ų17756.2 Ų56.277%0.7731%0.311SS*.Hα-helixtrans-60.4-35.2176.4-179.2-175.7173.9-171.60112S131 T132 L133 G137S131-K135 VanDerWaalsContact O-CB 3.26Å; S131-K135 WeakPolarHBondContact O-CB 3.45Å; S131-K135 PolarHBondContact O-N 3.44Å; T132-K135 WeakPolarHBondContact O-CB 3.04Å; T132-K135 PolarHBondContact O-N 2.91Å; L133-K135 PolarHBondContact O-N 3.46Å; K135-G137 PolarHBondContact O-N 2.97Å
136N98.5Very high88.4Confident51 Ų5156.4 Ų56.427%0.27331%0.313SS..THydrogen-bonded Turntrans-82.37.1178.4-65.6-7.9000113E104 A107 A108 T132 L133 I134E104-N136 PolarHBondContact O-ND2 2.89Å; A107-N136 CarbonylContact C-O 3.33Å; A107-N136 HydrophobicContact CB-CB 3.82Å; A108-N136 HydrophobicContact CB-CB 4.28Å; T132-N136 WeakPolarHBondContact O-CB 3.47Å; T132-N136 VanDerWaalsContact O-CG 3.26Å; T132-N136 PolarHBondContact O-N 3.24Å; L133-N136 CarbonylContact O-C 3.58Å; L133-N136 PolarHBondContact O-N 3.09Å; I134-N136 PolarHBondContact O-N 3.48Å
137G97.6Very high86.8Confident60 Ų6061 Ų6162%0.61932%0.323SS*.THydrogen-bonded Turntrans94.7-3.4177.100000114.9L133 I134 K135L133-G137 PolarHBondContact O-N 3.33Å; I134-G137 PolarHBondContact O-N 3.09Å; K135-G137 PolarHBondContact O-N 2.97Å
138G98.1Very high85Confident4 Ų457 Ų574%0.04131%0.311CS..  trans-66.3154.3172.500000112.1V113 L133 I134V113-G138 CarbonylContact O-C 3.54Å; V113-G138 VanDerWaalsContact O-CA 3.31Å; V113-G138 WeakPolarHBondContact O-CA 3.47Å; L133-G138 WeakPolarHBondContact O-CA 3.07Å; L133-G138 PolarHBondContact O-N 3.22Å; I134-G138 WeakPolarHBondContact CA-O 3.31Å
139K97.1Very high82.8Confident76 Ų7659 Ų5933%0.3331%0.314SS..EExtended strand (participates in β ladder)trans-118137.9177.4-54.8-172.2178-172.60110.6V113 R114 M115 W215 D224V113-K139 PolarHBondContact O-N 3.2Å; R114-K139 CarbonylContact C-O 3.29Å; R114-K139 VanDerWaalsContact CA-O 3.3Å; R114-K139 WeakPolarHBondContact CA-O 3.32Å; R114-K139 HydrophobicContact CG-CB 4.32Å; M115-K139 PolarHBondContact N-O 3.31Å; K139-W215 HydrophobicContact CB-CH2 3.44Å; K139-W215 VanDerWaalsContact CB-CH2 3.44Å; K139-W215 HydrophobicContact CB-CZ2 3.89Å; K139-W215 HydrophobicContact CB-CZ3 4.48Å; K139-W215 HydrophobicContact CD-CH2 4.47Å; K139-W215 HydrophobicContact CD-CZ2 4.05Å; K139-D224 IonicContact NZ-OD1 3.56Å
140V95.2Very high80.6Confident32 Ų3266.7 Ų66.719%0.19436%0.355CS..EExtended strand (participates in β ladder)trans-131.1131.9179.7-172.30000110M115 Y117 F130 L133 I134M115-V140 HydrophobicContact CB-CG1 4.31Å; M115-V140 HydrophobicContact CB-CG2 4.23Å; M115-V140 CarbonylContact O-C 3.57Å; M115-V140 VanDerWaalsContact O-CA 3.29Å; M115-V140 WeakPolarHBondContact O-CA 3.36Å; Y117-V140 HydrophobicContact CD1-CG1 3.89Å; Y117-V140 HydrophobicContact CE1-CG1 3.79Å; F130-V140 HydrophobicContact CB-CB 4.49Å; F130-V140 HydrophobicContact CB-CG2 4.04Å; F130-V140 HydrophobicContact CD1-CG1 3.99Å; F130-V140 HydrophobicContact CD1-CG2 4.08Å; F130-V140 HydrophobicContact CD2-CG1 4.14Å; F130-V140 HydrophobicContact CE1-CG1 4.14Å; F130-V140 HydrophobicContact CE2-CG1 4.27Å; F130-V140 HydrophobicContact CG-CB 4.42Å; F130-V140 HydrophobicContact CG-CG1 3.98Å; F130-V140 HydrophobicContact CG-CG2 4.16Å; F130-V140 HydrophobicContact CZ-CG1 4.27Å; L133-V140 HydrophobicContact CD2-CG2 3.69Å; L133-V140 HydrophobicContact CG-CG2 4.4Å; I134-V140 HydrophobicContact CG1-CG2 4.32Å
141A92.4Very high78.3Confident8 Ų870.1 Ų70.17%0.06638%0.384CS..EExtended strand (participates in β ladder)trans-129.7128.6177.500000111.1M115 I116 Y117 W215M115-A141 PolarHBondContact O-N 3.14Å; I116-A141 WeakPolarHBondContact CA-O 3.04Å; Y117-A141 PolarHBondContact N-O 2.98Å; A141-W215 HydrophobicContact CB-CE3 4.4Å; A141-W215 HydrophobicContact CB-CH2 4.21Å; A141-W215 HydrophobicContact CB-CZ3 3.94Å
142P90.4Very high75.7Confident43 Ų4373.1 Ų73.128%0.27939%0.39SS..EExtended strand (participates in β ladder)trans-67.6139.9163.928.9-31.9000109.4Y117 P119 I144Y117-P142 HydrophobicContact CE1-CB 4.15Å; Y117-P142 HydrophobicContact CE2-CB 4.39Å; P119-P142 HydrophobicContact CG-CB 3.84Å; P142-I144 HydrophobicContact CB-CG1 4.49Å; P142-I144 HydrophobicContact CG-CD1 4.03Å; P142-I144 HydrophobicContact CG-CG1 4.37Å; P142-I144 PolarHBondContact O-N 3.1Å
143F86.9Confident73.3Confident10 Ų1076.8 Ų76.84%0.04441%0.413CS..  trans-70.5117.3175.3-171.2-106.4000110.9I116 Y117 T145 L159 D214 S218 F369I116-F143 HydrophobicContact CG2-CB 3.95Å; I116-F143 HydrophobicContact CG2-CD2 4.15Å; Y117-F143 PolarHBondContact O-N 2.96Å; F143-T145 HydrophobicContact CD1-CG2 3.83Å; F143-T145 HydrophobicContact CE1-CG2 3.08Å; F143-T145 HydrophobicContact CE2-CG2 4.38Å; F143-T145 HydrophobicContact CZ-CG2 3.4Å; F143-L159 HydrophobicContact CB-CB 4.05Å; F143-L159 HydrophobicContact CB-CD2 3.78Å; F143-L159 HydrophobicContact CB-CG 4.5Å; F143-L159 HydrophobicContact CD1-CB 3.52Å; F143-L159 HydrophobicContact CD1-CD1 4.23Å; F143-L159 HydrophobicContact CD1-CD2 4.43Å; F143-L159 HydrophobicContact CD1-CG 4.3Å; F143-L159 HydrophobicContact CD2-CB 4.32Å; F143-L159 HydrophobicContact CD2-CD1 3.88Å; F143-L159 HydrophobicContact CD2-CD2 3.83Å; F143-L159 HydrophobicContact CD2-CG 4.24Å; F143-L159 HydrophobicContact CE1-CB 3.86Å; F143-L159 HydrophobicContact CE1-CD1 3.97Å; F143-L159 HydrophobicContact CE1-CG 4.48Å; F143-L159 HydrophobicContact CE2-CD1 3.69Å; F143-L159 HydrophobicContact CE2-CD2 4.49Å; F143-L159 HydrophobicContact CG-CB 3.73Å; F143-L159 HydrophobicContact CG-CD1 4.15Å; F143-L159 HydrophobicContact CG-CD2 3.79Å; F143-L159 HydrophobicContact CG-CG 4.13Å; F143-L159 HydrophobicContact CZ-CB 4.46Å; F143-L159 HydrophobicContact CZ-CD1 3.72Å; F143-D214 HydrophobicContact CD2-CB 4.4Å; F143-D214 HydrophobicContact CE2-CB 3.95Å; F143-S218 WeakPolarHBondContact CA-OG 3.28Å; F143-S218 VanDerWaalsContact CD2-OG 3.27Å; F143-S218 WeakPolarHBondContact CD2-OG 3.36Å; F143-F369 AromaticContact CE1-CD2 3.56Å; F143-F369 HydrophobicContact CE1-CD2 3.56Å; F143-F369 AromaticContact CE1-CE2 3.73Å; F143-F369 HydrophobicContact CE1-CE2 3.73Å; F143-F369 HydrophobicContact CE1-CG 4.16Å; F143-F369 HydrophobicContact CE1-CZ 4.41Å; F143-F369 HydrophobicContact CZ-CD1 4.14Å; F143-F369 AromaticContact CZ-CD2 3.7Å; F143-F369 HydrophobicContact CZ-CD2 3.7Å; F143-F369 HydrophobicContact CZ-CE1 4.22Å; F143-F369 AromaticContact CZ-CE2 3.83Å; F143-F369 HydrophobicContact CZ-CE2 3.83Å; F143-F369 AromaticContact CZ-CG 3.88Å; F143-F369 HydrophobicContact CZ-CG 3.88Å; F143-F369 HydrophobicContact CZ-CZ 4.08Å
144I71.1Confident70.9Confident72 Ų7280.9 Ų80.937%0.36943%0.428SS..  trans-130103-177.8-59.3172.5000109.1P142P142-I144 HydrophobicContact CB-CG1 4.49Å; P142-I144 HydrophobicContact CG-CD1 4.03Å; P142-I144 HydrophobicContact CG-CG1 4.37Å; P142-I144 PolarHBondContact O-N 3.1Å
145T60.2Low68.8Low35 Ų3581.7 Ų81.722%0.21543%0.433CS..SBendtrans-83.6-17.7-179.851.80000113.7F143 F369F143-T145 HydrophobicContact CD1-CG2 3.83Å; F143-T145 HydrophobicContact CE1-CG2 3.08Å; F143-T145 HydrophobicContact CE2-CG2 4.38Å; F143-T145 HydrophobicContact CZ-CG2 3.4Å; T145-F369 HydrophobicContact CG2-CD2 4.29Å; T145-F369 HydrophobicContact CG2-CE2 3.36Å; T145-F369 HydrophobicContact CG2-CZ 3.6Å
146S50Low67.4Low19 Ų1976.9 Ų76.913%0.13342%0.416CS..  trans-133113179.979.40000112.5N148S146-N148 PolarHBondContact O-N 3.2Å; S146-N148 VanDerWaalsContact O-N 3.14Å
147R46.2Very low66.4Low187 Ų18777 Ų7771%0.70641%0.413SS*.SBendtrans-64.2-7166-69.2-176.5179.2-162.1-4.9112.8V219 T220R147-V219 PolarHBondContact NH2-O 2.93Å; R147-T220 PolarHBondContact NH2-O 3.4Å
148N40.5Very low65.8Low110 Ų11074.9 Ų74.959%0.58839%0.387SS*.  trans-124.569.3-177.2-71.2-12.2000111.6S146 L150 A151S146-N148 PolarHBondContact O-N 3.2Å; S146-N148 VanDerWaalsContact O-N 3.14Å; N148-L150 PolarHBondContact O-N 2.87Å; N148-L150 VanDerWaalsContact O-N 3.12Å; N148-A151 HydrophobicContact CB-CB 4.2Å; N148-A151 PolarHBondContact O-N 3.47Å
149I41.3Very low65.3Low127 Ų12774.7 Ų74.765%0.65139%0.385SS*.THydrogen-bonded Turntrans-53.6-28.9176-65.2167.7000112.2
150L45.7Very low65.1Low179 Ų17971.8 Ų71.894%0.93737%0.372SS*.THydrogen-bonded Turntrans-89-24.6-175-72.6163.7000115N148N148-L150 PolarHBondContact O-N 2.87Å; N148-L150 VanDerWaalsContact O-N 3.12Å
151A46.7Very low65.1Low77 Ų7770.3 Ų70.364%0.63636%0.363SS*.THydrogen-bonded Turntrans-96.9-16.9-167.900000114.2N148N148-A151 HydrophobicContact CB-CB 4.2Å; N148-A151 PolarHBondContact O-N 3.47Å
152K39.6Very low65.3Low119 Ų11970 Ų7052%0.51736%0.36SS..SBendtrans-134133.6174.4-61.2-173.6175.8-173.90106.7R154K152-R154 HydrophobicContact CB-CB 4.37Å; K152-R154 HydrophobicContact CB-CG 3.62Å; K152-R154 PolarHBondContact O-N 3.48Å
153T47.2Very low65.7Low137 Ų13767.9 Ų67.984%0.8435%0.347SS*.  trans-61.541173.741.50000113.2L155T153-L155 VanDerWaalsContact C-N 3.29Å; T153-L155 PolarHBondContact O-N 2.88Å
154R48.6Very low66.3Low85 Ų8567.4 Ų67.432%0.32135%0.345SS..  trans-88.123.7-173.4-73.8-177.6165.6-154.4-9.1113.4K152 N156 Y157K152-R154 HydrophobicContact CB-CB 4.37Å; K152-R154 HydrophobicContact CB-CG 3.62Å; K152-R154 PolarHBondContact O-N 3.48Å; R154-N156 PolarHBondContact O-N 2.94Å; R154-Y157 HydrophobicContact CB-CD2 4.07Å; R154-Y157 HydrophobicContact CB-CE2 3.95Å; R154-Y157 VanDerWaalsContact CD-CE2 3.46Å; R154-Y157 HydrophobicContact CG-CD2 4.06Å; R154-Y157 HydrophobicContact CG-CE2 3.43Å; R154-Y157 VanDerWaalsContact CG-CE2 3.43Å
155L53Low67.6Low108 Ų10864 Ų6457%0.56533%0.327SS*.THydrogen-bonded Turntrans-58.8-7.1170.5-86148000113.1W120 T153W120-L155 HydrophobicContact CZ2-CD2 4.11Å; T153-L155 VanDerWaalsContact C-N 3.29Å; T153-L155 PolarHBondContact O-N 2.88Å
156N68.3Low69.4Low76 Ų7662.4 Ų62.441%0.40632%0.318SS..THydrogen-bonded Turntrans-105.95-169.2-62.9-16.9000115.6R154 R363R154-N156 PolarHBondContact O-N 2.94Å; N156-R363 PolarHBondContact O-NH2 3.03Å
157Y78Confident71.7Confident53 Ų5362.5 Ų62.521%0.20832%0.317CS..  trans-95.9123.8177.2-56.5-35.3000111.1R154 P253 L367R154-Y157 HydrophobicContact CB-CD2 4.07Å; R154-Y157 HydrophobicContact CB-CE2 3.95Å; R154-Y157 VanDerWaalsContact CD-CE2 3.46Å; R154-Y157 HydrophobicContact CG-CD2 4.06Å; R154-Y157 HydrophobicContact CG-CE2 3.43Å; R154-Y157 VanDerWaalsContact CG-CE2 3.43Å; Y157-P253 HydrophobicContact CD1-CB 3.68Å; Y157-P253 HydrophobicContact CD1-CG 3.66Å; Y157-P253 HydrophobicContact CD2-CB 4.47Å; Y157-P253 HydrophobicContact CD2-CG 4.11Å; Y157-P253 HydrophobicContact CE1-CB 3.47Å; Y157-P253 VanDerWaalsContact CE1-CB 3.47Å; Y157-P253 HydrophobicContact CE1-CG 3.98Å; Y157-P253 HydrophobicContact CE2-CB 4.26Å; Y157-P253 HydrophobicContact CE2-CG 4.36Å; Y157-P253 HydrophobicContact CG-CB 4.2Å; Y157-P253 HydrophobicContact CG-CG 3.76Å; Y157-L367 WeakPolarHBondContact CA-O 3.41Å; Y157-L367 HydrophobicContact CD1-CB 4.39Å; Y157-L367 HydrophobicContact CD1-CD2 4.27Å; Y157-L367 WeakPolarHBondContact CD1-O 3.29Å; Y157-L367 HydrophobicContact CE1-CD2 3.81Å
158H84.9Confident74.1Confident16 Ų1653.7 Ų53.77%0.07428%0.284CS..EExtended strand (participates in β ladder)trans-122.9145.4-179.2-64.8-43.5000111.7Y88 D118 W120 H160 R363 N368 F369Y88-H158 HydrophobicContact CD2-CB 4.32Å; Y88-H158 HydrophobicContact CE2-CB 3.89Å; D118-H158 IonicContact OD1-ND1 2.77Å; D118-H158 VanDerWaalsContact OD2-CA 3.26Å; D118-H158 WeakPolarHBondContact OD2-CA 3.05Å; D118-H158 IonicContact OD2-CG 2.71Å; D118-H158 IonicContact OD2-ND1 3.49Å; W120-H158 AromaticContact CD1-CE1 3.32Å; W120-H158 AromaticContact CD1-ND1 3.67Å; W120-H158 AromaticContact CD2-CE1 3.51Å; W120-H158 AromaticContact CE2-CE1 3.75Å; W120-H158 AromaticContact CG-CE1 3.25Å; W120-H158 AromaticContact CG-ND1 3.77Å; W120-H158 AromaticContact NE1-CE1 3.61Å; H158-H160 PolarHBondContact O-N 3.22Å; H158-R363 PolarHBondContact CD2-NH2 3.18Å; H158-N368 WeakPolarHBondContact O-CA 3.39Å; H158-F369 PolarHBondContact O-N 2.89Å
159L87.4Confident76.7Confident0 Ų050.3 Ų50.30%026%0.264CS..EExtended strand (participates in β ladder)trans-75.197.4167.8-171.262.4000109.2E86 Y88 I116 D118 F143 R161 F369E86-L159 HydrophobicContact CG-CD2 3.59Å; E86-L159 HydrophobicContact CG-CG 4.26Å; E86-L159 WeakPolarHBondContact OE1-CD1 3.45Å; E86-L159 WeakPolarHBondContact OE1-CG 3.47Å; Y88-L159 VanDerWaalsContact CA-O 3.23Å; Y88-L159 WeakPolarHBondContact CA-O 3.44Å; Y88-L159 WeakPolarHBondContact CB-O 3.39Å; Y88-L159 WeakPolarHBondContact CD2-O 3.42Å; I116-L159 HydrophobicContact CB-CD2 4.49Å; I116-L159 HydrophobicContact CG2-CD2 3.59Å; D118-L159 HydrophobicContact CB-CB 4.14Å; D118-L159 PolarHBondContact OD2-N 2.83Å; F143-L159 HydrophobicContact CB-CB 4.05Å; F143-L159 HydrophobicContact CB-CD2 3.78Å; F143-L159 HydrophobicContact CB-CG 4.5Å; F143-L159 HydrophobicContact CD1-CB 3.52Å; F143-L159 HydrophobicContact CD1-CD1 4.23Å; F143-L159 HydrophobicContact CD1-CD2 4.43Å; F143-L159 HydrophobicContact CD1-CG 4.3Å; F143-L159 HydrophobicContact CD2-CB 4.32Å; F143-L159 HydrophobicContact CD2-CD1 3.88Å; F143-L159 HydrophobicContact CD2-CD2 3.83Å; F143-L159 HydrophobicContact CD2-CG 4.24Å; F143-L159 HydrophobicContact CE1-CB 3.86Å; F143-L159 HydrophobicContact CE1-CD1 3.97Å; F143-L159 HydrophobicContact CE1-CG 4.48Å; F143-L159 HydrophobicContact CE2-CD1 3.69Å; F143-L159 HydrophobicContact CE2-CD2 4.49Å; F143-L159 HydrophobicContact CG-CB 3.73Å; F143-L159 HydrophobicContact CG-CD1 4.15Å; F143-L159 HydrophobicContact CG-CD2 3.79Å; F143-L159 HydrophobicContact CG-CG 4.13Å; F143-L159 HydrophobicContact CZ-CB 4.46Å; F143-L159 HydrophobicContact CZ-CD1 3.72Å; L159-R161 HydrophobicContact CD1-CB 4.5Å; L159-F369 HydrophobicContact CD1-CB 4.01Å
160H92.8Very high79.4Confident15 Ų1545.6 Ų45.67%0.06924%0.24CC..  trans-998.6-177.9-161.5-110.9000113.1Y88 H158 K162 S357 N368 F369 E370Y88-H160 AromaticContact CD1-CD2 3.92Å; Y88-H160 AromaticContact CG-CD2 3.97Å; H158-H160 PolarHBondContact O-N 3.22Å; H160-K162 PolarHBondContact CD2-NZ 3.5Å; H160-K162 PolarHBondContact CE1-NZ 2.84Å; H160-K162 PolarHBondContact NE2-NZ 2.93Å; H160-K162 VanDerWaalsContact NE2-NZ 3.14Å; H160-K162 PolarHBondContact O-NZ 2.88Å; H160-S357 PolarHBondContact CE1-O 2.83Å; H160-S357 VanDerWaalsContact CE1-O 3.31Å; H160-S357 PolarHBondContact ND1-O 2.99Å; H160-S357 WeakPolarHBondContact O-CB 3.31Å; H160-S357 PolarHBondContact O-OG 2.9Å; H160-N368 HydrophobicContact CB-CB 3.78Å; H160-F369 CarbonylContact C-O 3.59Å; H160-F369 VanDerWaalsContact CA-O 3.27Å; H160-F369 WeakPolarHBondContact CA-O 3.45Å; H160-F369 WeakPolarHBondContact CB-O 3.44Å; H160-F369 PolarHBondContact N-O 3.45Å; H160-E370 IonicContact CE1-OE1 2.64Å; H160-E370 IonicContact CE1-OE2 3.72Å; H160-E370 IonicContact CG-OE1 3.12Å; H160-E370 IonicContact CG-OE2 3.27Å; H160-E370 VanDerWaalsContact ND1-CD 3.28Å; H160-E370 IonicContact ND1-OE1 3.37Å; H160-E370 PolarHBondContact ND1-OE1 2.98Å; H160-E370 IonicContact ND1-OE2 3Å; H160-E370 PolarHBondContact ND1-OE2 3.05Å
161R95.4Very high81.9Confident0 Ų037 Ų370%020%0.195CC..  trans-76.5157.2173.8-60176.2-176.9149.38.5111.6E86 Y88 L159 I163 I210 D214 D251 F369 E370 V371E86-R161 VanDerWaalsContact OE1-CB 3.25Å; E86-R161 WeakPolarHBondContact OE1-CB 3.26Å; Y88-R161 PolarHBondContact N-O 2.93Å; L159-R161 HydrophobicContact CD1-CB 4.5Å; R161-I163 HydrophobicContact CB-CD1 4.25Å; R161-I163 HydrophobicContact CB-CG1 4.28Å; R161-I210 VanDerWaalsContact NH1-CG2 3.35Å; R161-D214 IonicContact CZ-OD2 2.98Å; R161-D214 IonicContact NH1-OD1 3.91Å; R161-D214 PolarHBondContact NH1-OD1 3.13Å; R161-D214 IonicContact NH1-OD2 3.9Å; R161-D214 PolarHBondContact NH1-OD2 3.05Å; R161-D251 PolarHBondContact NH2-O 2.9Å; R161-F369 PolarHBondContact N-O 2.91Å; R161-E370 PolarHBondContact NE-O 2.81Å; R161-V371 HydrophobicContact CB-CG1 4.11Å; R161-V371 HydrophobicContact CG-CB 4.08Å; R161-V371 HydrophobicContact CG-CG1 3.96Å
162K97.7Very high84.4Confident1 Ų133.4 Ų33.40%0.00417%0.165CC..EExtended strand (participates in β ladder)trans-136.298.7172-69.290.4-168.3162.60106E86 Y87 H160 T173 G174 N177E86-K162 CarbonylContact O-C 3.5Å; E86-K162 VanDerWaalsContact O-CA 3.28Å; E86-K162 WeakPolarHBondContact O-CA 3.47Å; Y87-K162 HydrophobicContact CD1-CB 3.82Å; Y87-K162 HydrophobicContact CD1-CG 3.45Å; Y87-K162 VanDerWaalsContact CD1-CG 3.45Å; Y87-K162 HydrophobicContact CE1-CB 3.79Å; Y87-K162 HydrophobicContact CE1-CG 3.82Å; Y87-K162 HydrophobicContact CG-CG 4.47Å; H160-K162 PolarHBondContact CD2-NZ 3.5Å; H160-K162 PolarHBondContact CE1-NZ 2.84Å; H160-K162 PolarHBondContact NE2-NZ 2.93Å; H160-K162 VanDerWaalsContact NE2-NZ 3.14Å; H160-K162 PolarHBondContact O-NZ 2.88Å; K162-T173 VanDerWaalsContact O-CA 3.22Å; K162-T173 WeakPolarHBondContact O-CA 3.27Å; K162-T173 PolarHBondContact O-OG1 3.34Å; K162-G174 WeakPolarHBondContact CD-O 3.36Å; K162-N177 VanDerWaalsContact CE-CG 3.45Å; K162-N177 WeakPolarHBondContact CE-OD1 3.38Å
163I98.6Very high87.2Confident0 Ų027.7 Ų27.70%014%0.14CC..EExtended strand (participates in β ladder)trans-126.6128.6-174.4-58.7177.4000107.7V85 E86 R161 V165 W172 L207 I210 V371V85-I163 CarbonylContact C-O 3.57Å; E86-I163 HydrophobicContact CB-CB 4.16Å; E86-I163 PolarHBondContact N-O 3.4Å; E86-I163 PolarHBondContact O-N 2.89Å; R161-I163 HydrophobicContact CB-CD1 4.25Å; R161-I163 HydrophobicContact CB-CG1 4.28Å; I163-V165 HydrophobicContact CG2-CG2 3.87Å; I163-W172 WeakPolarHBondContact CA-O 3.35Å; I163-L207 HydrophobicContact CD1-CD2 3.87Å; I163-L207 HydrophobicContact CG1-CD2 4.02Å; I163-L207 HydrophobicContact CG2-CB 4.05Å; I163-L207 HydrophobicContact CG2-CD2 4.33Å; I163-I210 HydrophobicContact CD1-CB 4.15Å; I163-I210 HydrophobicContact CD1-CG2 3.59Å; I163-V371 HydrophobicContact CD1-CG1 4.42Å; I163-V371 HydrophobicContact CG1-CG1 4.38Å
164V98.8Very high89.6Confident0 Ų021.2 Ų21.20%010%0.1CC..EExtended strand (participates in β ladder)trans-128119.9165.3-176.60000108.4L72 L76 H84 V85 Y87 F99 V166 S171 W172L72-V164 HydrophobicContact CD1-CB 4.19Å; L72-V164 HydrophobicContact CD1-CG1 4.03Å; L72-V164 HydrophobicContact CD1-CG2 4.38Å; L72-V164 HydrophobicContact CD2-CG2 4.5Å; L76-V164 HydrophobicContact CD2-CG1 3.98Å; H84-V164 CarbonylContact O-C 3.07Å; H84-V164 VanDerWaalsContact O-CA 3.23Å; H84-V164 WeakPolarHBondContact O-CA 3.01Å; V85-V164 HydrophobicContact CG1-CG2 4.37Å; V85-V164 HydrophobicContact CG2-CG1 4.02Å; V85-V164 HydrophobicContact CG2-CG2 4.35Å; Y87-V164 HydrophobicContact CE2-CG2 3.54Å; Y87-V164 WeakPolarHBondContact OH-CG2 2.94Å; F99-V164 HydrophobicContact CZ-CG2 4.27Å; V164-V166 HydrophobicContact CG1-CG2 4.15Å; V164-S171 CarbonylContact O-C 3.57Å; V164-S171 WeakPolarHBondContact O-CA 3.43Å; V164-W172 HydrophobicContact CB-CB 4.12Å; V164-W172 PolarHBondContact N-O 3.33Å; V164-W172 PolarHBondContact O-N 2.98Å
165V98.7Very high91.9Very high0 Ų017.1 Ų17.10%09%0.085CC..EExtended strand (participates in β ladder)trans-109.8130.7174.4-171.60000109I83 H84 I163 I170 L207 Q208I83-V165 WeakPolarHBondContact CA-O 3.29Å; H84-V165 HydrophobicContact CB-CB 4.31Å; H84-V165 PolarHBondContact N-O 3.43Å; H84-V165 PolarHBondContact O-N 2.92Å; I163-V165 HydrophobicContact CG2-CG2 3.87Å; V165-I170 CarbonylContact C-O 3.49Å; V165-I170 WeakPolarHBondContact CA-O 3.22Å; V165-L207 HydrophobicContact CG2-CB 4.43Å; V165-Q208 HydrophobicContact CG1-CB 4.24Å; V165-Q208 HydrophobicContact CG2-CB 4.22Å
166V98.6Very high94Very high2 Ų212 Ų121%0.0126%0.058CC..EExtended strand (participates in β ladder)trans-120.9124.3-179.3-174.80000109.1D75 L76 A79 V164 G168 Q169 I170D75-V166 HydrophobicContact CB-CG2 4.41Å; L76-V166 HydrophobicContact CD2-CG2 3.94Å; A79-V166 HydrophobicContact CB-CG1 3.57Å; V164-V166 HydrophobicContact CG1-CG2 4.15Å; V166-G168 PolarHBondContact O-N 2.91Å; V166-Q169 PolarHBondContact O-N 3.2Å; V166-Q169 VanDerWaalsContact O-N 3.09Å; V166-I170 HydrophobicContact CB-CB 4.43Å; V166-I170 PolarHBondContact N-O 3.41Å; V166-I170 PolarHBondContact O-N 2.76Å; V166-I170 VanDerWaalsContact O-N 3.13Å
167D97.7Very high95.3Very high21 Ų218.6 Ų8.611%0.1124%0.04CC..THydrogen-bonded Turntrans5129.1177-63-18.9000114.7A79 Q80 S81 T82 Q169A79-D167 WeakPolarHBondContact CA-OD2 3.2Å; Q80-D167 VanDerWaalsContact N-CG 3.29Å; Q80-D167 PolarHBondContact N-OD1 3.29Å; Q80-D167 PolarHBondContact N-OD2 2.89Å; S81-D167 PolarHBondContact N-OD1 3.31Å; S81-D167 PolarHBondContact OG-OD1 2.86Å; T82-D167 PolarHBondContact N-OD1 2.89Å; T82-D167 PolarHBondContact O-N 2.79Å; T82-D167 WeakPolarHBondContact OG1-CA 3.32Å; T82-D167 PolarHBondContact OG1-N 2.86Å; D167-Q169 PolarHBondContact O-N 2.55Å; D167-Q169 PolarHBondContact O-NE2 2.88Å
168G96.7Very high96.1Very high1 Ų16.1 Ų6.11%0.013%0.03CC..THydrogen-bonded Turntrans60.913.3-178.300000115.3V166 F205 Y232 V234V166-G168 PolarHBondContact O-N 2.91Å; G168-F205 WeakPolarHBondContact O-CE1 3.42Å; G168-Y232 WeakPolarHBondContact CA-O 3.32Å; G168-V234 PolarHBondContact O-N 2.92Å; G168-V234 VanDerWaalsContact O-N 3.16Å
169Q95.5Very high96.5Very high40 Ų405.3 Ų5.319%0.1873%0.027CC..THydrogen-bonded Turntrans-122.5-44.7-171.2-80.1163.694.300112.5V166 D167 G201 S204 V234V166-Q169 PolarHBondContact O-N 3.2Å; V166-Q169 VanDerWaalsContact O-N 3.09Å; D167-Q169 PolarHBondContact O-N 2.55Å; D167-Q169 PolarHBondContact O-NE2 2.88Å; Q169-G201 PolarHBondContact O-N 2.73Å; Q169-S204 WeakPolarHBondContact O-CB 3.14Å; Q169-S204 PolarHBondContact O-OG 3.13Å; Q169-V234 HydrophobicContact CG-CB 3.77Å; Q169-V234 HydrophobicContact CG-CG1 3.76Å; Q169-V234 WeakPolarHBondContact CG-O 3.46Å
170I97.4Very high96.8Very high27 Ų277.4 Ų7.414%0.1384%0.038CC..EExtended strand (participates in β ladder)trans-109.7132-174.6-60.9156000108.1V165 V166 R198 I199 E200V165-I170 CarbonylContact C-O 3.49Å; V165-I170 WeakPolarHBondContact CA-O 3.22Å; V166-I170 HydrophobicContact CB-CB 4.43Å; V166-I170 PolarHBondContact N-O 3.41Å; V166-I170 PolarHBondContact O-N 2.76Å; V166-I170 VanDerWaalsContact O-N 3.13Å; I170-R198 HydrophobicContact CG2-CG 4Å; I170-I199 CarbonylContact C-O 3.59Å; I170-I199 WeakPolarHBondContact CA-O 3.37Å; I170-E200 HydrophobicContact CG1-CB 4.36Å; I170-E200 HydrophobicContact CG1-CG 4.01Å
171S98.6Very high96.8Very high0 Ų09.7 Ų9.70%05%0.048CC..EExtended strand (participates in β ladder)trans-128.3153175.5-590000112.3V164 R198 I199 S204 L207V164-S171 CarbonylContact O-C 3.57Å; V164-S171 WeakPolarHBondContact O-CA 3.43Å; S171-R198 CarbonylContact O-C 3.45Å; S171-R198 WeakPolarHBondContact O-CA 3.36Å; S171-I199 PolarHBondContact N-O 2.91Å; S171-I199 PolarHBondContact O-N 3.23Å; S171-S204 WeakPolarHBondContact CB-OG 3.14Å; S171-S204 PolarHBondContact N-OG 3Å; S171-S204 VanDerWaalsContact OG-CA 3.24Å; S171-S204 WeakPolarHBondContact OG-CA 3.48Å; S171-S204 WeakPolarHBondContact OG-CB 3.5Å; S171-S204 PolarHBondContact OG-OG 3.42Å; S171-L207 VanDerWaalsContact CB-CD1 3.42Å
172W98.8Very high96.7Very high0 Ų010.2 Ų10.20%05%0.051CC..EExtended strand (participates in β ladder)trans-123.8136.4175.3-68.176.3000109.6F62 K68 R71 L72 D75 I163 V164 H196 G197 R198F62-W172 AromaticContact CD2-CH2 3.92Å; F62-W172 HydrophobicContact CD2-CH2 3.92Å; F62-W172 AromaticContact CD2-CZ3 3.51Å; F62-W172 HydrophobicContact CD2-CZ3 3.51Å; F62-W172 AromaticContact CE2-CH2 3.46Å; F62-W172 HydrophobicContact CE2-CH2 3.46Å; F62-W172 VanDerWaalsContact CE2-CH2 3.46Å; F62-W172 AromaticContact CE2-CZ3 3.53Å; F62-W172 HydrophobicContact CE2-CZ3 3.53Å; F62-W172 HydrophobicContact CG-CZ3 4.38Å; F62-W172 AromaticContact CZ-CH2 3.97Å; F62-W172 HydrophobicContact CZ-CH2 3.97Å; F62-W172 HydrophobicContact CZ-CZ3 4.4Å; K68-W172 HydrophobicContact CG-CZ3 4.26Å; R71-W172 HydrophobicContact CB-CH2 3.74Å; R71-W172 HydrophobicContact CB-CZ2 4.24Å; R71-W172 HydrophobicContact CG-CH2 3.52Å; R71-W172 HydrophobicContact CG-CZ2 3.74Å; L72-W172 HydrophobicContact CB-CD2 4.41Å; L72-W172 HydrophobicContact CB-CH2 4.31Å; L72-W172 HydrophobicContact CB-CZ2 4.12Å; L72-W172 HydrophobicContact CD1-CD2 3.92Å; L72-W172 HydrophobicContact CD1-CG 3.78Å; D75-W172 VanDerWaalsContact OD2-CZ2 3.3Å; D75-W172 WeakPolarHBondContact OD2-CZ2 3.36Å; D75-W172 PolarHBondContact OD2-NE1 3.47Å; I163-W172 WeakPolarHBondContact CA-O 3.35Å; V164-W172 HydrophobicContact CB-CB 4.12Å; V164-W172 PolarHBondContact N-O 3.33Å; V164-W172 PolarHBondContact O-N 2.98Å; W172-H196 AromaticContact CE3-CD2 3.94Å; W172-G197 WeakPolarHBondContact CA-O 3.21Å; W172-R198 HydrophobicContact CD2-CB 3.91Å; W172-R198 HydrophobicContact CD2-CG 4.13Å; W172-R198 HydrophobicContact CE3-CB 3.91Å; W172-R198 HydrophobicContact CH2-CB 3.72Å; W172-R198 HydrophobicContact CH2-CG 4.13Å; W172-R198 HydrophobicContact CZ2-CB 3.72Å; W172-R198 VanDerWaalsContact CZ2-CD 3.43Å; W172-R198 HydrophobicContact CZ2-CG 3.6Å; W172-R198 HydrophobicContact CZ3-CB 3.83Å
173T98.7Very high96.4Very high0 Ų011.8 Ų11.80%06%0.059CC..EExtended strand (participates in β ladder)trans-151.9159.4171.8-170.10000112.7K162 H196 G197 I199 L207 F355 V371K162-T173 VanDerWaalsContact O-CA 3.22Å; K162-T173 WeakPolarHBondContact O-CA 3.27Å; K162-T173 PolarHBondContact O-OG1 3.34Å; T173-H196 VanDerWaalsContact C-CD2 3.47Å; T173-H196 CarbonylContact O-C 3.59Å; T173-H196 WeakPolarHBondContact O-CA 3.39Å; T173-H196 PolarHBondContact O-CD2 3.33Å; T173-G197 PolarHBondContact N-O 3.31Å; T173-G197 PolarHBondContact O-N 3.41Å; T173-I199 HydrophobicContact CG2-CD1 4.13Å; T173-L207 HydrophobicContact CG2-CD1 4.11Å; T173-L207 HydrophobicContact CG2-CD2 4.39Å; T173-F355 HydrophobicContact CG2-CE2 3.86Å; T173-F355 HydrophobicContact CG2-CZ 4.14Å; T173-F355 WeakPolarHBondContact O-CE2 3.38Å; T173-V371 WeakPolarHBondContact OG1-CG1 3.34Å
174G98Very high95.7Very high0 Ų013.2 Ų13.20%07%0.073CC..EExtended strand (participates in β ladder)trans146.9-153177.900000113.9K162 G356K162-G174 WeakPolarHBondContact CD-O 3.36Å; G174-G356 CarbonylContact C-O 3.57Å
175G96.2Very high94.8Very high0 Ų020.3 Ų20.30%011%0.107CC..SBendtrans-88.8-29.4-171.400000116.3N177 D194 T195G175-N177 PolarHBondContact O-N 2.91Å; G175-D194 WeakPolarHBondContact CA-OD1 3.35Å; G175-D194 VanDerWaalsContact CA-OD2 3.26Å; G175-D194 WeakPolarHBondContact CA-OD2 3.16Å; G175-T195 PolarHBondContact N-O 2.72Å
176F97.2Very high94.1Very high0 Ų021.4 Ų21.40%011%0.114CC..  trans-63.6122.9-176.9-74.9-67.2000113.2G65 K68 Y87 W192 D194 H196G65-F176 VanDerWaalsContact N-CZ 3.33Å; K68-F176 HydrophobicContact CB-CD2 4.25Å; K68-F176 HydrophobicContact CB-CE2 4.42Å; K68-F176 HydrophobicContact CD-CB 4.3Å; K68-F176 HydrophobicContact CD-CD2 4.37Å; K68-F176 HydrophobicContact CG-CD2 4.04Å; Y87-F176 WeakPolarHBondContact CE1-O 3.42Å; F176-W192 AromaticContact CD1-CD1 3.98Å; F176-W192 AromaticContact CE1-CD1 3.55Å; F176-W192 HydrophobicContact CE1-CG 4.46Å; F176-D194 HydrophobicContact CD1-CB 3.96Å; F176-D194 HydrophobicContact CD2-CB 4.13Å; F176-D194 HydrophobicContact CE1-CB 3.66Å; F176-D194 HydrophobicContact CE2-CB 3.76Å; F176-D194 HydrophobicContact CG-CB 4.19Å; F176-D194 HydrophobicContact CZ-CB 3.51Å; F176-D194 PolarHBondContact N-OD2 2.88Å; F176-D194 VanDerWaalsContact N-OD2 3.15Å; F176-H196 HydrophobicContact CD2-CB 3.64Å; F176-H196 HydrophobicContact CE2-CB 4.36Å; F176-H196 PolarHBondContact N-ND1 3.46Å
177N95.7Very high93.6Very high5 Ų531.8 Ų31.83%0.02716%0.159CC..  trans-85.9-179.3163.6-76-68000111.1F69 A89 K162 G175 Y182F69-N177 WeakPolarHBondContact CZ-O 3.3Å; A89-N177 HydrophobicContact CB-CB 3.86Å; A89-N177 PolarHBondContact N-OD1 2.88Å; K162-N177 VanDerWaalsContact CE-CG 3.45Å; K162-N177 WeakPolarHBondContact CE-OD1 3.38Å; G175-N177 PolarHBondContact O-N 2.91Å; N177-Y182 HydrophobicContact CB-CD2 4.05Å; N177-Y182 HydrophobicContact CB-CE1 4.25Å; N177-Y182 HydrophobicContact CB-CE2 3.33Å; N177-Y182 VanDerWaalsContact CB-CZ 3.44Å; N177-Y182 WeakPolarHBondContact CB-OH 3.16Å; N177-Y182 VanDerWaalsContact O-CD2 3.23Å; N177-Y182 WeakPolarHBondContact O-CD2 3.37Å
178V95.6Very high93.2Very high0 Ų037.8 Ų37.80%018%0.18CC..BIsolated β-bridgetrans-103109.7178.6-175.10000111.2F69 Y87 A89 F90 F91 I95 F99F69-V178 HydrophobicContact CE1-CG1 4.36Å; F69-V178 HydrophobicContact CE1-CG2 4Å; F69-V178 HydrophobicContact CZ-CB 4.32Å; F69-V178 HydrophobicContact CZ-CG1 4.37Å; F69-V178 HydrophobicContact CZ-CG2 4.06Å; Y87-V178 HydrophobicContact CD1-CG2 3.83Å; Y87-V178 HydrophobicContact CD2-CG2 3.8Å; Y87-V178 HydrophobicContact CE1-CG2 3.77Å; Y87-V178 HydrophobicContact CE2-CG2 3.73Å; Y87-V178 HydrophobicContact CG-CG2 3.86Å; A89-V178 PolarHBondContact O-N 3.38Å; F90-V178 WeakPolarHBondContact CA-O 3.43Å; F90-V178 HydrophobicContact CD1-CG1 4.45Å; F90-V178 HydrophobicContact CD2-CB 3.69Å; F90-V178 HydrophobicContact CD2-CG1 4.02Å; F90-V178 HydrophobicContact CD2-CG2 3.67Å; F90-V178 HydrophobicContact CE1-CG1 4.27Å; F90-V178 HydrophobicContact CE2-CB 3.98Å; F90-V178 HydrophobicContact CE2-CG1 3.86Å; F90-V178 HydrophobicContact CE2-CG2 3.81Å; F90-V178 HydrophobicContact CG-CB 4.07Å; F90-V178 HydrophobicContact CG-CG1 4.34Å; F90-V178 HydrophobicContact CZ-CG1 4Å; F91-V178 WeakPolarHBondContact CD2-O 3.33Å; F91-V178 PolarHBondContact N-O 2.82Å; I95-V178 HydrophobicContact CG2-CG1 4.3Å; F99-V178 HydrophobicContact CD2-CG1 4.03Å; F99-V178 HydrophobicContact CD2-CG2 3.87Å; F99-V178 HydrophobicContact CE2-CG2 3.93Å
179G93.2Very high92.9Very high0 Ų038.3 Ų38.30%018%0.182CC..SBendtrans172.6153.6177.100000113.6D93 I95 Q181 Y182D93-G179 WeakPolarHBondContact OD2-CA 3.32Å; I95-G179 VanDerWaalsContact CG2-CA 3.41Å; G179-Q181 PolarHBondContact O-N 2.85Å; G179-Q181 VanDerWaalsContact O-N 3.15Å; G179-Y182 WeakPolarHBondContact O-CB 3.42Å; G179-Y182 WeakPolarHBondContact O-CD2 3.49Å; G179-Y182 PolarHBondContact O-N 2.78Å
180D92.9Very high92.7Very high44 Ų4437.9 Ų37.924%0.23519%0.189CC..G310 helixtrans-62.2-27.5-171.3-68.2-15.4000112.2D93 C94 I95 Y182 L183D93-D180 WeakPolarHBondContact CB-OD2 3.47Å; D93-D180 PolarHBondContact OD2-N 3.04Å; C94-D180 WeakPolarHBondContact CB-OD1 3.33Å; C94-D180 VanDerWaalsContact CB-OD2 3.24Å; C94-D180 WeakPolarHBondContact CB-OD2 3.4Å; C94-D180 PolarHBondContact N-OD1 3.12Å; C94-D180 PolarHBondContact N-OD2 3.27Å; I95-D180 WeakPolarHBondContact CB-OD1 3.19Å; I95-D180 WeakPolarHBondContact CG2-OD1 3.5Å; I95-D180 PolarHBondContact N-OD1 3.35Å; D180-Y182 PolarHBondContact O-N 3.14Å; D180-Y182 VanDerWaalsContact O-N 3.13Å; D180-L183 WeakPolarHBondContact O-CB 3.21Å; D180-L183 PolarHBondContact O-N 3.24Å
181Q92.6Very high92.5Very high62 Ų6241.6 Ų41.629%0.2920%0.201SC..G310 helixtrans-60.4-2417667.2173.741.400113.5G179 L183G179-Q181 PolarHBondContact O-N 2.85Å; G179-Q181 VanDerWaalsContact O-N 3.15Å; Q181-L183 VanDerWaalsContact C-N 3.35Å
182Y92.9Very high92.5Very high12 Ų1242.1 Ų42.15%0.04720%0.203CC..G310 helixtrans-85.7-8.1-179.9-52.4-60.6000113G65 F91 N177 G179 D180 G184 W192G65-Y182 WeakPolarHBondContact CA-O 3.38Å; F91-Y182 HydrophobicContact CD2-CE2 4.2Å; F91-Y182 AromaticContact CE2-CE2 3.96Å; F91-Y182 HydrophobicContact CE2-CE2 3.96Å; N177-Y182 HydrophobicContact CB-CD2 4.05Å; N177-Y182 HydrophobicContact CB-CE1 4.25Å; N177-Y182 HydrophobicContact CB-CE2 3.33Å; N177-Y182 VanDerWaalsContact CB-CZ 3.44Å; N177-Y182 WeakPolarHBondContact CB-OH 3.16Å; N177-Y182 VanDerWaalsContact O-CD2 3.23Å; N177-Y182 WeakPolarHBondContact O-CD2 3.37Å; G179-Y182 WeakPolarHBondContact O-CB 3.42Å; G179-Y182 WeakPolarHBondContact O-CD2 3.49Å; G179-Y182 PolarHBondContact O-N 2.78Å; D180-Y182 PolarHBondContact O-N 3.14Å; D180-Y182 VanDerWaalsContact O-N 3.13Å; Y182-G184 PolarHBondContact O-N 3.5Å; Y182-W192 AromaticContact CD1-CD2 3.67Å; Y182-W192 HydrophobicContact CD1-CD2 3.67Å; Y182-W192 AromaticContact CD1-CE2 3.41Å; Y182-W192 VanDerWaalsContact CD1-CE2 3.41Å; Y182-W192 HydrophobicContact CD1-CE3 4.22Å; Y182-W192 HydrophobicContact CD1-CG 4.06Å; Y182-W192 HydrophobicContact CD1-CH2 4.29Å; Y182-W192 AromaticContact CD1-CZ2 3.75Å; Y182-W192 HydrophobicContact CD1-CZ2 3.75Å; Y182-W192 HydrophobicContact CD1-CZ3 4.5Å; Y182-W192 AromaticContact CD1-NE1 3.61Å; Y182-W192 HydrophobicContact CE1-CD2 4.27Å; Y182-W192 AromaticContact CE1-CE2 3.71Å; Y182-W192 AromaticContact CE1-CH2 3.9Å; Y182-W192 HydrophobicContact CE1-CH2 3.9Å; Y182-W192 AromaticContact CE1-CZ2 3.51Å; Y182-W192 HydrophobicContact CE1-CZ2 3.51Å; Y182-W192 HydrophobicContact CE1-CZ3 4.41Å
183L92Very high92.4Very high33 Ų3342.1 Ų42.117%0.17320%0.203CC..G310 helixtrans-82.41.3177.3-57.7-175.7000113.3F69 I95 D180 Q181 E185F69-L183 HydrophobicContact CD2-CD2 3.68Å; F69-L183 HydrophobicContact CE2-CD2 4.26Å; I95-L183 HydrophobicContact CB-CD1 4.11Å; I95-L183 HydrophobicContact CD1-CD1 4.34Å; I95-L183 HydrophobicContact CD1-CD2 4.36Å; I95-L183 HydrophobicContact CG1-CD1 4.39Å; I95-L183 HydrophobicContact CG1-CD2 4.27Å; D180-L183 WeakPolarHBondContact O-CB 3.21Å; D180-L183 PolarHBondContact O-N 3.24Å; Q181-L183 VanDerWaalsContact C-N 3.35Å; L183-E185 VanDerWaalsContact C-N 3.3Å; L183-E185 HydrophobicContact CB-CG 4.32Å
184G83.8Confident92.4Very high30 Ų3042.1 Ų42.131%0.30920%0.203SC..THydrogen-bonded Turntrans80.96.6-17700000114.6Y182 G190Y182-G184 PolarHBondContact O-N 3.5Å; G184-G190 CarbonylContact C-O 3.45Å; G184-G190 VanDerWaalsContact CA-O 3.31Å; G184-G190 WeakPolarHBondContact CA-O 3.23Å; G184-G190 CarbonylContact O-C 3.59Å
185E79.2Confident92.4Very high149 Ų14942.3 Ų42.370%0.69620%0.204SC*.  trans-91.9-1.3-178.8-58.9-172.1170.700113.3L183 K187L183-E185 VanDerWaalsContact C-N 3.3Å; L183-E185 HydrophobicContact CB-CG 4.32Å; E185-K187 PolarHBondContact O-N 2.69Å
186S85.2Confident92.5Very high23 Ų2342.3 Ų42.316%0.16120%0.204CC..BIsolated β-bridgetrans-67.5120.6-177.6177.20000111.2R188 F189 G190S186-R188 PolarHBondContact O-N 2.89Å; S186-R188 VanDerWaalsContact O-N 3.12Å; S186-R188 PolarHBondContact OG-N 3.04Å; S186-F189 PolarHBondContact O-N 2.98Å; S186-F189 WeakPolarHBondContact OG-CD2 3.12Å; S186-F189 PolarHBondContact OG-N 3.25Å; S186-G190 WeakPolarHBondContact O-CA 3.06Å; S186-G190 PolarHBondContact O-N 3.4Å
187K87Confident92.6Very high221 Ų22142.3 Ų42.396%0.96120%0.204SC*.THydrogen-bonded Turntrans-57.8-26.7171.4-67.4-173.8-179.6-178.80113.4E185E185-K187 PolarHBondContact O-N 2.69Å
188R89.4Confident92.7Very high147 Ų14742.5 Ų42.556%0.55521%0.205SC*.THydrogen-bonded Turntrans-81.1-43.6-178.5177.8-179.9173.2-169-2.7111.9S186 P310 D311S186-R188 PolarHBondContact O-N 2.89Å; S186-R188 VanDerWaalsContact O-N 3.12Å; S186-R188 PolarHBondContact OG-N 3.04Å; R188-P310 PolarHBondContact NH2-O 3.16Å; R188-D311 VanDerWaalsContact NH2-C 3.33Å; R188-D311 VanDerWaalsContact NH2-CA 3.29Å; R188-D311 PolarHBondContact NH2-O 2.81Å
189F91.5Very high92.8Very high11 Ų1142.5 Ų42.55%0.04821%0.205CC..THydrogen-bonded Turntrans-105.6-18.8-169.8-61.4-61.8000113.4S186 W192 M309 D311 G339 F340S186-F189 PolarHBondContact O-N 2.98Å; S186-F189 WeakPolarHBondContact OG-CD2 3.12Å; S186-F189 PolarHBondContact OG-N 3.25Å; F189-W192 HydrophobicContact CB-CE3 4.1Å; F189-W192 HydrophobicContact CB-CZ3 4.28Å; F189-W192 HydrophobicContact CD1-CZ3 4.34Å; F189-W192 HydrophobicContact CD2-CE3 4.09Å; F189-W192 AromaticContact CD2-CZ3 3.58Å; F189-W192 HydrophobicContact CD2-CZ3 3.58Å; F189-W192 AromaticContact CE2-CZ3 3.89Å; F189-W192 HydrophobicContact CE2-CZ3 3.89Å; F189-W192 HydrophobicContact CG-CE3 4.16Å; F189-W192 AromaticContact CG-CZ3 3.83Å; F189-W192 HydrophobicContact CG-CZ3 3.83Å; F189-W192 HydrophobicContact CZ-CZ3 4.38Å; F189-M309 HydrophobicContact CD1-SD 4.1Å; F189-D311 HydrophobicContact CE1-CB 3.92Å; F189-D311 HydrophobicContact CZ-CB 3.95Å; F189-G339 CarbonylContact O-C 3.57Å; F189-G339 WeakPolarHBondContact O-CA 3.44Å; F189-F340 HydrophobicContact CB-CB 3.98Å; F189-F340 HydrophobicContact CD1-CB 4.04Å; F189-F340 HydrophobicContact CD1-CD2 4.11Å; F189-F340 HydrophobicContact CD1-CG 4.08Å; F189-F340 HydrophobicContact CE1-CD2 4.36Å; F189-F340 HydrophobicContact CG-CB 4.32Å; F189-F340 PolarHBondContact O-N 2.68Å
190G91.1Very high93Very high32 Ų3244 Ų4433%0.3321%0.212SC..BIsolated β-bridgetrans61.2-135-169.100000110.6G184 S186 W192G184-G190 CarbonylContact C-O 3.45Å; G184-G190 VanDerWaalsContact CA-O 3.31Å; G184-G190 WeakPolarHBondContact CA-O 3.23Å; G184-G190 CarbonylContact O-C 3.59Å; S186-G190 WeakPolarHBondContact O-CA 3.06Å; S186-G190 PolarHBondContact O-N 3.4Å; G190-W192 PolarHBondContact O-N 3.49Å
191R94Very high93.1Very high105 Ų10542 Ų4240%0.39620%0.201SC..SBendtrans-56.3131.2173.5-176.1-178.1-177.3-179.2-2.4110.4D338 G339 F340R191-D338 WeakPolarHBondContact CD-OD2 3.25Å; R191-D338 IonicContact CZ-OD2 2.76Å; R191-D338 IonicContact NE-OD2 2.79Å; R191-D338 IonicContact NH1-OD2 3.96Å; R191-D338 PolarHBondContact NH1-OD2 3.44Å; R191-G339 WeakPolarHBondContact O-CA 2.87Å; R191-F340 PolarHBondContact O-N 3.32Å
192W96.8Very high93.2Very high10 Ų1039 Ų394%0.03819%0.187CC..EExtended strand (participates in β ladder)trans-102.1103.6172.7-166.9-76.8000109F176 Y182 F189 G190 F340 H342F176-W192 AromaticContact CD1-CD1 3.98Å; F176-W192 AromaticContact CE1-CD1 3.55Å; F176-W192 HydrophobicContact CE1-CG 4.46Å; Y182-W192 AromaticContact CD1-CD2 3.67Å; Y182-W192 HydrophobicContact CD1-CD2 3.67Å; Y182-W192 AromaticContact CD1-CE2 3.41Å; Y182-W192 VanDerWaalsContact CD1-CE2 3.41Å; Y182-W192 HydrophobicContact CD1-CE3 4.22Å; Y182-W192 HydrophobicContact CD1-CG 4.06Å; Y182-W192 HydrophobicContact CD1-CH2 4.29Å; Y182-W192 AromaticContact CD1-CZ2 3.75Å; Y182-W192 HydrophobicContact CD1-CZ2 3.75Å; Y182-W192 HydrophobicContact CD1-CZ3 4.5Å; Y182-W192 AromaticContact CD1-NE1 3.61Å; Y182-W192 HydrophobicContact CE1-CD2 4.27Å; Y182-W192 AromaticContact CE1-CE2 3.71Å; Y182-W192 AromaticContact CE1-CH2 3.9Å; Y182-W192 HydrophobicContact CE1-CH2 3.9Å; Y182-W192 AromaticContact CE1-CZ2 3.51Å; Y182-W192 HydrophobicContact CE1-CZ2 3.51Å; Y182-W192 HydrophobicContact CE1-CZ3 4.41Å; F189-W192 HydrophobicContact CB-CE3 4.1Å; F189-W192 HydrophobicContact CB-CZ3 4.28Å; F189-W192 HydrophobicContact CD1-CZ3 4.34Å; F189-W192 HydrophobicContact CD2-CE3 4.09Å; F189-W192 AromaticContact CD2-CZ3 3.58Å; F189-W192 HydrophobicContact CD2-CZ3 3.58Å; F189-W192 AromaticContact CE2-CZ3 3.89Å; F189-W192 HydrophobicContact CE2-CZ3 3.89Å; F189-W192 HydrophobicContact CG-CE3 4.16Å; F189-W192 AromaticContact CG-CZ3 3.83Å; F189-W192 HydrophobicContact CG-CZ3 3.83Å; F189-W192 HydrophobicContact CZ-CZ3 4.38Å; G190-W192 PolarHBondContact O-N 3.49Å; W192-F340 HydrophobicContact CD2-CD1 4.24Å; W192-F340 HydrophobicContact CE3-CB 4.34Å; W192-F340 HydrophobicContact CE3-CD1 4.02Å; W192-F340 AromaticContact CH2-CD1 3.51Å; W192-F340 HydrophobicContact CH2-CD1 3.51Å; W192-F340 AromaticContact CH2-CE1 3.65Å; W192-F340 HydrophobicContact CH2-CE1 3.65Å; W192-F340 AromaticContact CZ2-CD1 3.76Å; W192-F340 HydrophobicContact CZ2-CD1 3.76Å; W192-F340 AromaticContact CZ2-CE1 3.88Å; W192-F340 HydrophobicContact CZ2-CE1 3.88Å; W192-F340 HydrophobicContact CZ3-CB 4.49Å; W192-F340 AromaticContact CZ3-CD1 3.65Å; W192-F340 HydrophobicContact CZ3-CD1 3.65Å; W192-F340 HydrophobicContact CZ3-CE1 4.22Å; W192-F340 HydrophobicContact CZ3-CG 4.28Å; W192-H342 AromaticContact CE2-CG 3.84Å; W192-H342 HydrophobicContact CZ2-CB 3.76Å; W192-H342 AromaticContact CZ2-CD2 3.73Å; W192-H342 AromaticContact CZ2-CG 3.51Å; W192-H342 AromaticContact CZ2-ND1 3.8Å; W192-H342 AromaticContact NE1-CG 3.68Å; W192-H342 AromaticContact NE1-ND1 3.64Å
193R97.5Very high93.3Very high1 Ų138.5 Ų38.50%0.00419%0.185CC..EExtended strand (participates in β ladder)trans-95.2113.1-176.4176.662-172.884.117.3109.9T195 Y336 F340 L341 H342 S343 D391R193-T195 PolarHBondContact NH1-OG1 3.08Å; R193-Y336 HydrophobicContact CB-CE1 3.75Å; R193-Y336 HydrophobicContact CG-CE1 4.21Å; R193-Y336 HydrophobicContact CG-CE2 4.49Å; R193-F340 PolarHBondContact N-O 2.93Å; R193-L341 HydrophobicContact CB-CD1 4.45Å; R193-L341 HydrophobicContact CG-CD1 3.9Å; R193-H342 PolarHBondContact O-N 2.88Å; R193-S343 PolarHBondContact NH1-OG 3.19Å; R193-S343 PolarHBondContact O-N 3.28Å; R193-D391 IonicContact CZ-OD1 2.75Å; R193-D391 IonicContact CZ-OD2 3.25Å; R193-D391 VanDerWaalsContact CZ-OD2 3.27Å; R193-D391 IonicContact NE-OD1 3.64Å; R193-D391 PolarHBondContact NE-OD1 3.03Å; R193-D391 IonicContact NE-OD2 3.75Å; R193-D391 PolarHBondContact NE-OD2 3.13Å; R193-D391 VanDerWaalsContact NE-OD2 3.08Å; R193-D391 IonicContact NH2-OD1 3.92Å; R193-D391 IonicContact NH2-OD2 2.76Å; R193-D391 PolarHBondContact NH2-OD2 2.78Å
194D97.9Very high93.6Very high0 Ų036.9 Ų36.90%018%0.177CC..  trans-147.6165.8-177.7-157.9-15.7000110.8L63 G175 F176 H342 S343L63-D194 CarbonylContact C-O 3.36Å; L63-D194 WeakPolarHBondContact CA-O 3.29Å; L63-D194 PolarHBondContact O-N 3.43Å; L63-D194 VanDerWaalsContact O-O 3.1Å; G175-D194 WeakPolarHBondContact CA-OD1 3.35Å; G175-D194 VanDerWaalsContact CA-OD2 3.26Å; G175-D194 WeakPolarHBondContact CA-OD2 3.16Å; F176-D194 HydrophobicContact CD1-CB 3.96Å; F176-D194 HydrophobicContact CD2-CB 4.13Å; F176-D194 HydrophobicContact CE1-CB 3.66Å; F176-D194 HydrophobicContact CE2-CB 3.76Å; F176-D194 HydrophobicContact CG-CB 4.19Å; F176-D194 HydrophobicContact CZ-CB 3.51Å; F176-D194 PolarHBondContact N-OD2 2.88Å; F176-D194 VanDerWaalsContact N-OD2 3.15Å; D194-H342 HydrophobicContact CB-CB 4.21Å; D194-H342 VanDerWaalsContact OD1-O 3.14Å; D194-H342 IonicContact OD2-CE1 3.64Å; D194-H342 IonicContact OD2-CG 3.93Å; D194-H342 IonicContact OD2-ND1 3.72Å; D194-H342 PolarHBondContact OD2-ND1 3.21Å; D194-S343 WeakPolarHBondContact CA-OG 3.32Å; D194-S343 WeakPolarHBondContact OD1-CA 3.48Å; D194-S343 PolarHBondContact OD1-N 3.28Å
195T98.6Very high94.2Very high4 Ų435.5 Ų35.53%0.02516%0.162CC..  trans-117.6128.6179.4-60.30000110.1F61 G175 R193 S343 T345 F355 F384F61-T195 HydrophobicContact CD1-CG2 4.18Å; G175-T195 PolarHBondContact N-O 2.72Å; R193-T195 PolarHBondContact NH1-OG1 3.08Å; T195-S343 PolarHBondContact OG1-OG 3.29Å; T195-T345 HydrophobicContact CG2-CG2 4.1Å; T195-F355 HydrophobicContact CG2-CB 4.28Å; T195-F384 HydrophobicContact CG2-CZ 4.3Å
196H98.7Very high95Very high0 Ų028.5 Ų28.50%013%0.13CC..EExtended strand (participates in β ladder)trans-141.8132.1177.6-152109.7000109.4F62 K68 W172 T173 F176F62-H196 PolarHBondContact N-O 3.25Å; F62-H196 PolarHBondContact O-N 2.87Å; F62-H196 VanDerWaalsContact O-N 3.1Å; K68-H196 HydrophobicContact CG-CB 4.22Å; W172-H196 AromaticContact CE3-CD2 3.94Å; T173-H196 VanDerWaalsContact C-CD2 3.47Å; T173-H196 CarbonylContact O-C 3.59Å; T173-H196 WeakPolarHBondContact O-CA 3.39Å; T173-H196 PolarHBondContact O-CD2 3.33Å; F176-H196 HydrophobicContact CD2-CB 3.64Å; F176-H196 HydrophobicContact CE2-CB 4.36Å; F176-H196 PolarHBondContact N-ND1 3.46Å
197G98.7Very high95.6Very high0 Ų027.4 Ų27.40%012%0.122CC..EExtended strand (participates in β ladder)trans-104.4139.2-17600000111E60 W172 T173E60-G197 CarbonylContact O-C 3.39Å; E60-G197 WeakPolarHBondContact O-CA 3.38Å; W172-G197 WeakPolarHBondContact CA-O 3.21Å; T173-G197 PolarHBondContact N-O 3.31Å; T173-G197 PolarHBondContact O-N 3.41Å
198R98.4Very high96.1Very high9 Ų916.9 Ų16.93%0.0348%0.076CC..EExtended strand (participates in β ladder)trans-97131.8158.4-179-173.7-179.5-87.8-8.9107.5L59 E60 F62 D75 I170 S171 W172 E200L59-R198 VanDerWaalsContact CA-O 3.29Å; L59-R198 WeakPolarHBondContact CA-O 3.44Å; E60-R198 HydrophobicContact CB-CB 4.21Å; E60-R198 PolarHBondContact N-O 3.46Å; E60-R198 PolarHBondContact O-N 3.47Å; E60-R198 WeakPolarHBondContact OE1-CD 3.48Å; E60-R198 IonicContact OE1-CZ 3.7Å; E60-R198 IonicContact OE1-NE 3.28Å; E60-R198 IonicContact OE1-NH1 3.96Å; E60-R198 PolarHBondContact OE1-NH1 3.31Å; F62-R198 HydrophobicContact CE2-CB 4.15Å; D75-R198 IonicContact OD1-CZ 2.76Å; D75-R198 IonicContact OD1-NE 2.86Å; D75-R198 IonicContact OD1-NH2 3.74Å; D75-R198 IonicContact OD2-CZ 3.84Å; D75-R198 IonicContact OD2-NE 3.91Å; D75-R198 PolarHBondContact OD2-NE 3.13Å; D75-R198 IonicContact OD2-NH2 2.84Å; I170-R198 HydrophobicContact CG2-CG 4Å; S171-R198 CarbonylContact O-C 3.45Å; S171-R198 WeakPolarHBondContact O-CA 3.36Å; W172-R198 HydrophobicContact CD2-CB 3.91Å; W172-R198 HydrophobicContact CD2-CG 4.13Å; W172-R198 HydrophobicContact CE3-CB 3.91Å; W172-R198 HydrophobicContact CH2-CB 3.72Å; W172-R198 HydrophobicContact CH2-CG 4.13Å; W172-R198 HydrophobicContact CZ2-CB 3.72Å; W172-R198 VanDerWaalsContact CZ2-CD 3.43Å; W172-R198 HydrophobicContact CZ2-CG 3.6Å; W172-R198 HydrophobicContact CZ3-CB 3.83Å; R198-E200 IonicContact CZ-OE2 2.93Å; R198-E200 IonicContact NH1-OE2 2.82Å; R198-E200 PolarHBondContact NH1-OE2 2.69Å; R198-E200 IonicContact NH2-OE2 2.65Å; R198-E200 PolarHBondContact NH2-OE2 3.15Å
199I97.9Very high96.3Very high0 Ų010.5 Ų10.50%05%0.053CC..EExtended strand (participates in β ladder)trans-122.3125.2-177.7-61.3164.5000107.3E58 L59 I170 S171 T173 A203 S204 L207 M246 I248 F355E58-I199 WeakPolarHBondContact O-CA 3.34Å; L59-I199 HydrophobicContact CD2-CG1 4.07Å; L59-I199 HydrophobicContact CG-CG1 4.26Å; I170-I199 CarbonylContact C-O 3.59Å; I170-I199 WeakPolarHBondContact CA-O 3.37Å; S171-I199 PolarHBondContact N-O 2.91Å; S171-I199 PolarHBondContact O-N 3.23Å; T173-I199 HydrophobicContact CG2-CD1 4.13Å; I199-A203 HydrophobicContact CG2-CB 3.89Å; I199-S204 PolarHBondContact O-OG 2.76Å; I199-L207 HydrophobicContact CD1-CD1 3.88Å; I199-M246 HydrophobicContact CD1-CE 3.88Å; I199-M246 HydrophobicContact CD1-SD 4.41Å; I199-M246 HydrophobicContact CG2-SD 4.38Å; I199-I248 HydrophobicContact CD1-CD1 4.01Å; I199-F355 HydrophobicContact CD1-CZ 4.32Å
200E96.4Very high96.5Very high32 Ų3210.4 Ų10.415%0.155%0.053CC..EExtended strand (participates in β ladder)trans-121110.7171.3-174.4171.9160.100107.8N57 E58 I170 R198 P236N57-E200 WeakPolarHBondContact CA-O 3.1Å; E58-E200 PolarHBondContact N-O 3.32Å; E58-E200 PolarHBondContact O-N 2.91Å; I170-E200 HydrophobicContact CG1-CB 4.36Å; I170-E200 HydrophobicContact CG1-CG 4.01Å; R198-E200 IonicContact CZ-OE2 2.93Å; R198-E200 IonicContact NH1-OE2 2.82Å; R198-E200 PolarHBondContact NH1-OE2 2.69Å; R198-E200 IonicContact NH2-OE2 2.65Å; R198-E200 PolarHBondContact NH2-OE2 3.15Å; E200-P236 HydrophobicContact CG-CB 4.39Å
201G95.1Very high96.7Very high0 Ų08.9 Ų8.90%04%0.037CC..EExtended strand (participates in β ladder)trans150.3179.2-167.700000113.3R56 N57 Q169 A203 S204R56-G201 VanDerWaalsContact O-CA 3.29Å; R56-G201 WeakPolarHBondContact O-CA 3.16Å; N57-G201 WeakPolarHBondContact OD1-CA 3.43Å; Q169-G201 PolarHBondContact O-N 2.73Å; G201-A203 PolarHBondContact O-N 2.88Å; G201-S204 WeakPolarHBondContact O-CB 3.23Å; G201-S204 PolarHBondContact O-N 3.44Å; G201-S204 PolarHBondContact O-OG 3.29Å
202T94.9Very high96.8Very high0 Ų03.9 Ų3.90%02%0.018CC..THydrogen-bonded Turntrans-68.4-15.9-176.136.70000114.3I19 D22 N57 S204 F205 L235I19-T202 HydrophobicContact CG1-CG2 4.35Å; D22-T202 HydrophobicContact CB-CG2 3.92Å; D22-T202 WeakPolarHBondContact OD2-CG2 3.23Å; D22-T202 PolarHBondContact OD2-OG1 3.32Å; N57-T202 PolarHBondContact OD1-N 3.36Å; T202-S204 PolarHBondContact O-N 3.5Å; T202-F205 HydrophobicContact CG2-CD2 4.19Å; T202-F205 HydrophobicContact CG2-CE2 3.84Å; T202-F205 HydrophobicContact CG2-CZ 4.1Å; T202-F205 VanDerWaalsContact O-CB 3.25Å; T202-F205 WeakPolarHBondContact O-CB 3.19Å; T202-F205 WeakPolarHBondContact O-CG 3.37Å; T202-F205 PolarHBondContact O-N 2.93Å; T202-L235 HydrophobicContact CG2-CD2 3.52Å
203A96.1Very high96.5Very high1 Ų14.6 Ų4.61%0.0082%0.021CC..Hα-helixtrans-62.8-22.416800000112.7A54 N57 I199 G201 F205 T206 M246 I248A54-A203 HydrophobicContact CB-CB 3.97Å; N57-A203 WeakPolarHBondContact OD1-CB 3.38Å; N57-A203 PolarHBondContact OD1-N 3.11Å; I199-A203 HydrophobicContact CG2-CB 3.89Å; G201-A203 PolarHBondContact O-N 2.88Å; A203-F205 PolarHBondContact O-N 3Å; A203-T206 PolarHBondContact O-N 2.87Å; A203-M246 HydrophobicContact CB-CE 4.41Å; A203-M246 HydrophobicContact CB-CG 3.88Å; A203-M246 HydrophobicContact CB-SD 3.74Å; A203-I248 HydrophobicContact CB-CG1 4.12Å
204S96.9Very high96.3Very high0 Ų04.7 Ų4.70%02%0.021CC..Hα-helixtrans-60-27.9169.8-70.90000112.8Q169 S171 I199 G201 T202 L207 Q208Q169-S204 WeakPolarHBondContact O-CB 3.14Å; Q169-S204 PolarHBondContact O-OG 3.13Å; S171-S204 WeakPolarHBondContact CB-OG 3.14Å; S171-S204 PolarHBondContact N-OG 3Å; S171-S204 VanDerWaalsContact OG-CA 3.24Å; S171-S204 WeakPolarHBondContact OG-CA 3.48Å; S171-S204 WeakPolarHBondContact OG-CB 3.5Å; S171-S204 PolarHBondContact OG-OG 3.42Å; I199-S204 PolarHBondContact O-OG 2.76Å; G201-S204 WeakPolarHBondContact O-CB 3.23Å; G201-S204 PolarHBondContact O-N 3.44Å; G201-S204 PolarHBondContact O-OG 3.29Å; T202-S204 PolarHBondContact O-N 3.5Å; S204-L207 PolarHBondContact O-N 2.88Å; S204-Q208 WeakPolarHBondContact O-CB 3.34Å; S204-Q208 PolarHBondContact O-N 3.12Å
205F96.7Very high96.2Very high0 Ų04.9 Ų4.90%02%0.022CC..Hα-helixtrans-66.2-44.8-178-661.5000110.3I15 I18 I19 G168 T202 A203 L207 Q208 E209 F233 V234 L235I15-F205 HydrophobicContact CG2-CB 3.95Å; I15-F205 HydrophobicContact CG2-CD2 3.93Å; I15-F205 HydrophobicContact CG2-CG 4.38Å; I18-F205 HydrophobicContact CG2-CE2 3.93Å; I19-F205 HydrophobicContact CD1-CB 4.17Å; I19-F205 HydrophobicContact CD1-CD2 4.25Å; I19-F205 HydrophobicContact CG1-CD2 3.84Å; G168-F205 WeakPolarHBondContact O-CE1 3.42Å; T202-F205 HydrophobicContact CG2-CD2 4.19Å; T202-F205 HydrophobicContact CG2-CE2 3.84Å; T202-F205 HydrophobicContact CG2-CZ 4.1Å; T202-F205 VanDerWaalsContact O-CB 3.25Å; T202-F205 WeakPolarHBondContact O-CB 3.19Å; T202-F205 WeakPolarHBondContact O-CG 3.37Å; T202-F205 PolarHBondContact O-N 2.93Å; A203-F205 PolarHBondContact O-N 3Å; F205-L207 VanDerWaalsContact C-N 3.33Å; F205-L207 PolarHBondContact O-N 3.03Å; F205-Q208 CarbonylContact O-C 3.31Å; F205-Q208 WeakPolarHBondContact O-CA 3.13Å; F205-Q208 WeakPolarHBondContact O-CB 3.09Å; F205-Q208 PolarHBondContact O-N 3.2Å; F205-Q208 VanDerWaalsContact O-N 3.08Å; F205-E209 WeakPolarHBondContact O-CG 3.29Å; F205-E209 PolarHBondContact O-N 3.5Å; F205-F233 HydrophobicContact CB-CD1 3.73Å; F205-F233 HydrophobicContact CB-CE1 4.25Å; F205-F233 HydrophobicContact CD1-CB 4.23Å; F205-F233 HydrophobicContact CD1-CD1 4.04Å; F205-F233 HydrophobicContact CD2-CB 4.22Å; F205-F233 HydrophobicContact CD2-CD1 4.28Å; F205-F233 HydrophobicContact CE1-CB 4.15Å; F205-F233 HydrophobicContact CE2-CB 4.11Å; F205-F233 HydrophobicContact CG-CB 4.28Å; F205-F233 AromaticContact CG-CD1 3.77Å; F205-F233 HydrophobicContact CG-CD1 3.77Å; F205-F233 VanDerWaalsContact CZ-C 3.44Å; F205-F233 HydrophobicContact CZ-CB 4.08Å; F205-V234 WeakPolarHBondContact CE1-O 3.41Å; F205-L235 HydrophobicContact CE2-CD2 4.13Å; F205-L235 HydrophobicContact CZ-CD2 3.92Å; F205-L235 HydrophobicContact CZ-CG 4.43Å
206T95.9Very high95.9Very high2 Ų25 Ų51%0.0122%0.022CC..Hα-helixtrans-62.9-39.3176.7-50.20000111.8E50 A203 Q208 E209 I210 I248E50-T206 WeakPolarHBondContact O-CG2 3.46Å; A203-T206 PolarHBondContact O-N 2.87Å; T206-Q208 VanDerWaalsContact C-N 3.31Å; T206-Q208 PolarHBondContact O-N 2.74Å; T206-E209 PolarHBondContact O-N 2.82Å; T206-I210 HydrophobicContact CG2-CD1 4.16Å; T206-I210 WeakPolarHBondContact O-CD1 3.42Å; T206-I210 WeakPolarHBondContact O-CG1 3.42Å; T206-I210 PolarHBondContact O-N 2.95Å; T206-I248 HydrophobicContact CG2-CB 3.76Å; T206-I248 HydrophobicContact CG2-CG2 3.96Å
207L97.6Very high95.4Very high0 Ų06.1 Ų6.10%03%0.032CC..Hα-helixtrans-63.4-37.2173.7-73.2170.5000112.4I163 V165 S171 T173 I199 S204 F205 I210 F211 I248 V371I163-L207 HydrophobicContact CD1-CD2 3.87Å; I163-L207 HydrophobicContact CG1-CD2 4.02Å; I163-L207 HydrophobicContact CG2-CB 4.05Å; I163-L207 HydrophobicContact CG2-CD2 4.33Å; V165-L207 HydrophobicContact CG2-CB 4.43Å; S171-L207 VanDerWaalsContact CB-CD1 3.42Å; T173-L207 HydrophobicContact CG2-CD1 4.11Å; T173-L207 HydrophobicContact CG2-CD2 4.39Å; I199-L207 HydrophobicContact CD1-CD1 3.88Å; S204-L207 PolarHBondContact O-N 2.88Å; F205-L207 VanDerWaalsContact C-N 3.33Å; F205-L207 PolarHBondContact O-N 3.03Å; L207-I210 HydrophobicContact CD2-CD1 4.44Å; L207-F211 PolarHBondContact O-N 3.29Å; L207-I248 HydrophobicContact CD1-CD1 4.29Å; L207-I248 HydrophobicContact CD2-CG2 3.71Å; L207-I248 HydrophobicContact CG-CD1 4.32Å; L207-I248 HydrophobicContact CG-CG1 4.2Å; L207-I248 HydrophobicContact CG-CG2 3.98Å; L207-V371 HydrophobicContact CD2-CG2 3.87Å
208Q97.6Very high95Very high1 Ų16.5 Ų6.51%0.0053%0.034CC..Hα-helixtrans-67.8-39.6174.3178.459.231.900112.4H84 V165 S204 F205 T206 F211 I212 F233H84-Q208 PolarHBondContact CE1-NE2 3.06Å; H84-Q208 VanDerWaalsContact ND1-CD 3.33Å; H84-Q208 PolarHBondContact ND1-NE2 3.06Å; H84-Q208 PolarHBondContact ND1-OE1 3.15Å; V165-Q208 HydrophobicContact CG1-CB 4.24Å; V165-Q208 HydrophobicContact CG2-CB 4.22Å; S204-Q208 WeakPolarHBondContact O-CB 3.34Å; S204-Q208 PolarHBondContact O-N 3.12Å; F205-Q208 CarbonylContact O-C 3.31Å; F205-Q208 WeakPolarHBondContact O-CA 3.13Å; F205-Q208 WeakPolarHBondContact O-CB 3.09Å; F205-Q208 PolarHBondContact O-N 3.2Å; F205-Q208 VanDerWaalsContact O-N 3.08Å; T206-Q208 VanDerWaalsContact C-N 3.31Å; T206-Q208 PolarHBondContact O-N 2.74Å; Q208-F211 PolarHBondContact O-N 2.93Å; Q208-I212 HydrophobicContact CG-CD1 4.11Å; Q208-I212 VanDerWaalsContact O-CG1 3.31Å; Q208-I212 WeakPolarHBondContact O-CG1 3.3Å; Q208-I212 PolarHBondContact O-N 2.95Å; Q208-F233 HydrophobicContact CB-CE1 3.9Å; Q208-F233 HydrophobicContact CG-CD1 4.32Å; Q208-F233 HydrophobicContact CG-CE1 3.68Å; Q208-F233 HydrophobicContact CG-CZ 3.92Å
209E95.1Very high94.6Very high13 Ų136.7 Ų6.76%0.0614%0.037CC..Hα-helixtrans-62.9-43.4174.5-68.6175.8152.400111.6I15 F205 T206 I212 R213 Y228 F233I15-E209 WeakPolarHBondContact CB-OE1 3.42Å; I15-E209 HydrophobicContact CD1-CG 4.29Å; I15-E209 VanDerWaalsContact CD1-OE1 3.3Å; I15-E209 WeakPolarHBondContact CD1-OE1 3.12Å; I15-E209 WeakPolarHBondContact CG2-OE1 3.37Å; F205-E209 WeakPolarHBondContact O-CG 3.29Å; F205-E209 PolarHBondContact O-N 3.5Å; T206-E209 PolarHBondContact O-N 2.82Å; E209-I212 PolarHBondContact O-N 3.2Å; E209-R213 PolarHBondContact O-N 2.68Å; E209-Y228 HydrophobicContact CB-CE1 3.99Å; E209-Y228 HydrophobicContact CG-CD1 4.15Å; E209-Y228 HydrophobicContact CG-CE1 3.86Å; E209-F233 HydrophobicContact CG-CE1 3.78Å; E209-F233 HydrophobicContact CG-CZ 3.98Å
210I94.1Very high94Very high8 Ų812 Ų124%0.0417%0.07CC..Hα-helixtrans-58.4-48.4175-68.5160000110.1R161 I163 T206 L207 I212 R213 D214 I248 A250 V371R161-I210 VanDerWaalsContact NH1-CG2 3.35Å; I163-I210 HydrophobicContact CD1-CB 4.15Å; I163-I210 HydrophobicContact CD1-CG2 3.59Å; T206-I210 HydrophobicContact CG2-CD1 4.16Å; T206-I210 WeakPolarHBondContact O-CD1 3.42Å; T206-I210 WeakPolarHBondContact O-CG1 3.42Å; T206-I210 PolarHBondContact O-N 2.95Å; L207-I210 HydrophobicContact CD2-CD1 4.44Å; I210-I212 PolarHBondContact O-N 3.44Å; I210-R213 WeakPolarHBondContact O-CB 3.34Å; I210-R213 PolarHBondContact O-N 2.76Å; I210-D214 PolarHBondContact O-N 2.99Å; I210-I248 HydrophobicContact CD1-CG2 3.7Å; I210-A250 HydrophobicContact CD1-CB 3.64Å; I210-A250 HydrophobicContact CG1-CB 3.83Å; I210-A250 HydrophobicContact CG2-CB 4.43Å; I210-V371 HydrophobicContact CD1-CG2 4.05Å
211F96.3Very high93.6Very high0 Ų014.7 Ų14.70%09%0.085CC..Hα-helixtrans-59.2-46176.7177-90.6000112.4H84 E86 R114 I116 L207 Q208 R213 D214 W215 M226H84-F211 HydrophobicContact CB-CD1 3.61Å; H84-F211 HydrophobicContact CB-CD2 4.04Å; H84-F211 HydrophobicContact CB-CE1 3.46Å; H84-F211 VanDerWaalsContact CB-CE1 3.46Å; H84-F211 HydrophobicContact CB-CE2 3.89Å; H84-F211 HydrophobicContact CB-CG 3.91Å; H84-F211 HydrophobicContact CB-CZ 3.6Å; H84-F211 AromaticContact CD2-CE1 3.64Å; H84-F211 AromaticContact CG-CD1 3.7Å; H84-F211 AromaticContact CG-CE1 3.4Å; H84-F211 VanDerWaalsContact CG-CE1 3.4Å; H84-F211 AromaticContact CG-CZ 3.95Å; H84-F211 AromaticContact ND1-CD1 3.99Å; E86-F211 HydrophobicContact CB-CD2 3.99Å; E86-F211 HydrophobicContact CB-CE2 4.25Å; R114-F211 HydrophobicContact CB-CE1 4.16Å; R114-F211 HydrophobicContact CB-CZ 3.84Å; I116-F211 HydrophobicContact CD1-CD2 3.94Å; I116-F211 HydrophobicContact CD1-CE2 3.62Å; I116-F211 HydrophobicContact CD1-CZ 4.04Å; I116-F211 HydrophobicContact CG1-CE2 3.83Å; I116-F211 HydrophobicContact CG1-CZ 4.15Å; L207-F211 PolarHBondContact O-N 3.29Å; Q208-F211 PolarHBondContact O-N 2.93Å; F211-R213 VanDerWaalsContact C-N 3.3Å; F211-R213 PolarHBondContact O-N 3.37Å; F211-D214 PolarHBondContact O-N 2.93Å; F211-W215 HydrophobicContact CE1-CB 4.38Å; F211-W215 HydrophobicContact CZ-CE3 4.16Å; F211-W215 VanDerWaalsContact O-CB 3.32Å; F211-W215 WeakPolarHBondContact O-CB 3.24Å; F211-W215 PolarHBondContact O-N 2.84Å; F211-M226 HydrophobicContact CD1-CE 4.09Å; F211-M226 HydrophobicContact CD1-SD 4.27Å; F211-M226 HydrophobicContact CE1-CE 3.95Å; F211-M226 HydrophobicContact CE1-SD 3.78Å
212I95.3Very high93.2Very high0 Ų021.7 Ų21.70%012%0.115CC..Hα-helixtrans-59.3-43178.5-72.6163.3000110.6Q208 E209 I210 W215 N216 M226 Y228 Y232 F233Q208-I212 HydrophobicContact CG-CD1 4.11Å; Q208-I212 VanDerWaalsContact O-CG1 3.31Å; Q208-I212 WeakPolarHBondContact O-CG1 3.3Å; Q208-I212 PolarHBondContact O-N 2.95Å; E209-I212 PolarHBondContact O-N 3.2Å; I210-I212 PolarHBondContact O-N 3.44Å; I212-W215 WeakPolarHBondContact O-CB 3.36Å; I212-W215 PolarHBondContact O-N 2.74Å; I212-N216 VanDerWaalsContact O-CB 3.31Å; I212-N216 WeakPolarHBondContact O-CB 3.44Å; I212-N216 VanDerWaalsContact O-CG 3.23Å; I212-N216 PolarHBondContact O-N 2.9Å; I212-M226 HydrophobicContact CD1-CE 4.35Å; I212-M226 HydrophobicContact CG1-CB 4.34Å; I212-M226 HydrophobicContact CG1-CE 3.49Å; I212-M226 VanDerWaalsContact CG1-CE 3.49Å; I212-M226 HydrophobicContact CG1-SD 4.35Å; I212-M226 HydrophobicContact CG2-CB 3.98Å; I212-Y228 HydrophobicContact CB-CE1 4.16Å; I212-Y228 HydrophobicContact CD1-CD1 3.87Å; I212-Y228 HydrophobicContact CD1-CE1 4.09Å; I212-Y228 HydrophobicContact CD1-CG 4.3Å; I212-Y228 HydrophobicContact CG2-CD1 4.42Å; I212-Y228 HydrophobicContact CG2-CD2 4.13Å; I212-Y228 HydrophobicContact CG2-CE1 3.95Å; I212-Y228 HydrophobicContact CG2-CE2 3.62Å; I212-Y228 HydrophobicContact CG2-CG 4.48Å; I212-Y228 VanDerWaalsContact CG2-CZ 3.49Å; I212-Y232 HydrophobicContact CD1-CD2 4.26Å; I212-F233 HydrophobicContact CD1-CE2 4.28Å; I212-F233 HydrophobicContact CD1-CZ 3.8Å
213R91.6Very high93.1Very high26 Ų2625.7 Ų25.710%0.09815%0.148CC..Hα-helixtrans-62.1-47177.5-179176.964-168.1-2.9111.4E50 E209 I210 F211 W215 N216 A217E50-R213 IonicContact OE1-NH1 3.75Å; E50-R213 PolarHBondContact OE1-NH1 2.86Å; E50-R213 IonicContact OE2-CZ 3.94Å; E50-R213 IonicContact OE2-NH1 3.62Å; E50-R213 PolarHBondContact OE2-NH1 3.48Å; E209-R213 PolarHBondContact O-N 2.68Å; I210-R213 WeakPolarHBondContact O-CB 3.34Å; I210-R213 PolarHBondContact O-N 2.76Å; F211-R213 VanDerWaalsContact C-N 3.3Å; F211-R213 PolarHBondContact O-N 3.37Å; R213-W215 VanDerWaalsContact C-N 3.33Å; R213-W215 PolarHBondContact O-N 3.28Å; R213-N216 PolarHBondContact O-N 2.84Å; R213-A217 WeakPolarHBondContact O-CB 3.39Å; R213-A217 PolarHBondContact O-N 2.89Å
214D92.8Very high92.9Very high3 Ų328.4 Ų28.42%0.01616%0.163CC..Hα-helixtrans-67.4-36.5-179.7-68-21.4000111.5I116 F143 R161 I210 F211 A217 S218I116-D214 HydrophobicContact CD1-CB 3.95Å; F143-D214 HydrophobicContact CD2-CB 4.4Å; F143-D214 HydrophobicContact CE2-CB 3.95Å; R161-D214 IonicContact CZ-OD2 2.98Å; R161-D214 IonicContact NH1-OD1 3.91Å; R161-D214 PolarHBondContact NH1-OD1 3.13Å; R161-D214 IonicContact NH1-OD2 3.9Å; R161-D214 PolarHBondContact NH1-OD2 3.05Å; I210-D214 PolarHBondContact O-N 2.99Å; F211-D214 PolarHBondContact O-N 2.93Å; D214-A217 PolarHBondContact O-N 3.41Å; D214-S218 WeakPolarHBondContact O-CB 3.48Å; D214-S218 PolarHBondContact O-N 2.95Å; D214-S218 VanDerWaalsContact O-N 3.07Å; D214-S218 PolarHBondContact O-OG 3Å
215W94.7Very high92.7Very high4 Ų431.9 Ų31.92%0.01518%0.176CC..Hα-helixtrans-59.7-52.6171.7-179.9-92.9000110.9R114 I116 K139 A141 F211 I212 R213 A217 S218 V219 D224 M226R114-W215 HydrophobicContact CB-CE3 4.02Å; R114-W215 HydrophobicContact CB-CH2 4.15Å; R114-W215 HydrophobicContact CB-CZ3 3.76Å; R114-W215 HydrophobicContact CG-CH2 4.3Å; R114-W215 HydrophobicContact CG-CZ2 4.47Å; R114-W215 HydrophobicContact CG-CZ3 4.38Å; I116-W215 HydrophobicContact CD1-CB 3.91Å; I116-W215 HydrophobicContact CD1-CE3 4.19Å; I116-W215 VanDerWaalsContact CD1-N 3.31Å; I116-W215 HydrophobicContact CG1-CE3 3.71Å; I116-W215 HydrophobicContact CG1-CZ3 4.31Å; K139-W215 HydrophobicContact CB-CH2 3.44Å; K139-W215 VanDerWaalsContact CB-CH2 3.44Å; K139-W215 HydrophobicContact CB-CZ2 3.89Å; K139-W215 HydrophobicContact CB-CZ3 4.48Å; K139-W215 HydrophobicContact CD-CH2 4.47Å; K139-W215 HydrophobicContact CD-CZ2 4.05Å; A141-W215 HydrophobicContact CB-CE3 4.4Å; A141-W215 HydrophobicContact CB-CH2 4.21Å; A141-W215 HydrophobicContact CB-CZ3 3.94Å; F211-W215 HydrophobicContact CE1-CB 4.38Å; F211-W215 HydrophobicContact CZ-CE3 4.16Å; F211-W215 VanDerWaalsContact O-CB 3.32Å; F211-W215 WeakPolarHBondContact O-CB 3.24Å; F211-W215 PolarHBondContact O-N 2.84Å; I212-W215 WeakPolarHBondContact O-CB 3.36Å; I212-W215 PolarHBondContact O-N 2.74Å; R213-W215 VanDerWaalsContact C-N 3.33Å; R213-W215 PolarHBondContact O-N 3.28Å; W215-A217 VanDerWaalsContact C-N 3.25Å; W215-A217 PolarHBondContact O-N 3.07Å; W215-S218 PolarHBondContact O-N 3.44Å; W215-V219 HydrophobicContact CD2-CG1 4.13Å; W215-V219 VanDerWaalsContact CE2-CG1 3.49Å; W215-V219 HydrophobicContact CG-CG1 4.41Å; W215-V219 HydrophobicContact CH2-CG1 4.48Å; W215-V219 HydrophobicContact CZ2-CG1 3.71Å; W215-V219 PolarHBondContact O-N 2.92Å; W215-D224 PolarHBondContact NE1-O 2.78Å; W215-M226 HydrophobicContact CB-SD 3.86Å; W215-M226 HydrophobicContact CD2-SD 3.99Å; W215-M226 HydrophobicContact CG-CG 4.03Å; W215-M226 HydrophobicContact CG-SD 3.47Å
216N92.7Very high92.6Very high5 Ų532.1 Ų32.13%0.02718%0.177CC..Hα-helixtrans-65.4-28-178-74.9-12.6000113.2Y2 I212 R213 R225 M226Y2-N216 HydrophobicContact CD1-CB 4.2Å; Y2-N216 HydrophobicContact CD2-CB 3.64Å; Y2-N216 HydrophobicContact CE1-CB 4.38Å; Y2-N216 HydrophobicContact CE2-CB 3.82Å; Y2-N216 HydrophobicContact CG-CB 3.82Å; I212-N216 VanDerWaalsContact O-CB 3.31Å; I212-N216 WeakPolarHBondContact O-CB 3.44Å; I212-N216 VanDerWaalsContact O-CG 3.23Å; I212-N216 PolarHBondContact O-N 2.9Å; R213-N216 PolarHBondContact O-N 2.84Å; N216-R225 HydrophobicContact CB-CG 4.47Å; N216-R225 WeakPolarHBondContact OD1-CA 3.47Å; N216-R225 WeakPolarHBondContact OD1-CB 3.44Å; N216-M226 PolarHBondContact ND2-O 2.86Å; N216-M226 PolarHBondContact OD1-N 3.28Å
217A88.7Confident92.5Very high25 Ų2535.3 Ų35.321%0.20720%0.199CC..Hα-helixtrans-72.9-30.317100000112.7R213 D214 W215R213-A217 WeakPolarHBondContact O-CB 3.39Å; R213-A217 PolarHBondContact O-N 2.89Å; D214-A217 PolarHBondContact O-N 3.41Å; W215-A217 VanDerWaalsContact C-N 3.25Å; W215-A217 PolarHBondContact O-N 3.07Å
218S90.2Very high92.2Very high7 Ų735.6 Ų35.65%0.04920%0.2CC..Hα-helixtrans-88.4-33-173.8-59.20000113.8F143 D214 W215F143-S218 WeakPolarHBondContact CA-OG 3.28Å; F143-S218 VanDerWaalsContact CD2-OG 3.27Å; F143-S218 WeakPolarHBondContact CD2-OG 3.36Å; D214-S218 WeakPolarHBondContact O-CB 3.48Å; D214-S218 PolarHBondContact O-N 2.95Å; D214-S218 VanDerWaalsContact O-N 3.07Å; D214-S218 PolarHBondContact O-OG 3Å; W215-S218 PolarHBondContact O-N 3.44Å
219V90.4Very high92Very high14 Ų1438.6 Ų38.69%0.08522%0.216CC..  trans-71.4143.3-179.1-64.10000112.8R147 W215 D224 R225R147-V219 PolarHBondContact NH2-O 2.93Å; W215-V219 HydrophobicContact CD2-CG1 4.13Å; W215-V219 VanDerWaalsContact CE2-CG1 3.49Å; W215-V219 HydrophobicContact CG-CG1 4.41Å; W215-V219 HydrophobicContact CH2-CG1 4.48Å; W215-V219 HydrophobicContact CZ2-CG1 3.71Å; W215-V219 PolarHBondContact O-N 2.92Å; V219-D224 HydrophobicContact CB-CB 4.04Å; V219-D224 HydrophobicContact CG1-CB 4.05Å; V219-D224 HydrophobicContact CG2-CB 4.42Å; V219-R225 HydrophobicContact CG2-CG 3.8Å
220T85.5Confident91.9Very high112 Ų11241.6 Ų41.669%0.68724%0.237SC*.SBendtrans-87.7-41.2-176.853.90000112.3R147R147-T220 PolarHBondContact NH2-O 3.4Å
221N88.1Confident91.9Very high88 Ų8846.1 Ų46.147%0.47126%0.257SS..SBendtrans-89.9135.4178.1-172.5-4.7000110.7A223 D224N221-A223 PolarHBondContact O-N 2.93Å; N221-A223 PolarHBondContact OD1-N 2.93Å; N221-A223 VanDerWaalsContact OD1-N 3.09Å; N221-D224 WeakPolarHBondContact CB-OD2 3.38Å; N221-D224 PolarHBondContact O-N 3.31Å; N221-D224 VanDerWaalsContact O-N 3.16Å
222K86.7Confident91.9Very high147 Ų14746.5 Ų46.564%0.63926%0.259SS*.G310 helixtrans-60.2-31.7175.1-72.2-168.3174.5-163.50112.5D224 R225K222-D224 PolarHBondContact O-N 2.69Å; K222-R225 VanDerWaalsContact O-CB 3.31Å; K222-R225 WeakPolarHBondContact O-CB 3.38Å; K222-R225 WeakPolarHBondContact O-CG 3.48Å; K222-R225 PolarHBondContact O-N 2.62Å
223A90.9Very high92Very high83 Ų8347.1 Ų47.169%0.68626%0.262SS*.G310 helixtrans-68.6-15.9179.300000113.9N221N221-A223 PolarHBondContact O-N 2.93Å; N221-A223 PolarHBondContact OD1-N 2.93Å; N221-A223 VanDerWaalsContact OD1-N 3.09Å
224D92.4Very high92.2Very high59 Ų5948.1 Ų48.132%0.31627%0.271SS..G310 helixtrans-91.5-1.9176.6-69.9-49000113K139 W215 V219 N221 K222K139-D224 IonicContact NZ-OD1 3.56Å; W215-D224 PolarHBondContact NE1-O 2.78Å; V219-D224 HydrophobicContact CB-CB 4.04Å; V219-D224 HydrophobicContact CG1-CB 4.05Å; V219-D224 HydrophobicContact CG2-CB 4.42Å; N221-D224 WeakPolarHBondContact CB-OD2 3.38Å; N221-D224 PolarHBondContact O-N 3.31Å; N221-D224 VanDerWaalsContact O-N 3.16Å; K222-D224 PolarHBondContact O-N 2.69Å
225R93.5Very high92.2Very high73 Ų7351.6 Ų51.628%0.27529%0.289SS..PPolyproline II helixtrans-66.3148.3177-70.8175.7171.5-174.2-9111.1E5 N216 V219 K222E5-R225 IonicContact OE1-CZ 3.86Å; E5-R225 IonicContact OE1-NH1 2.72Å; E5-R225 PolarHBondContact OE1-NH1 2.9Å; N216-R225 HydrophobicContact CB-CG 4.47Å; N216-R225 WeakPolarHBondContact OD1-CA 3.47Å; N216-R225 WeakPolarHBondContact OD1-CB 3.44Å; V219-R225 HydrophobicContact CG2-CG 3.8Å; K222-R225 VanDerWaalsContact O-CB 3.31Å; K222-R225 WeakPolarHBondContact O-CB 3.38Å; K222-R225 WeakPolarHBondContact O-CG 3.48Å; K222-R225 PolarHBondContact O-N 2.62Å
226M94.4Very high91.5Very high4 Ų451.8 Ų51.82%0.0229%0.291CS..PPolyproline II helixtrans-90.9132.3171.8-72.4173.768.100109.6R114 F211 I212 W215 N216 Y232R114-M226 WeakPolarHBondContact CD-SD 3.19Å; R114-M226 PolarHBondContact NH1-SD 3.47Å; F211-M226 HydrophobicContact CD1-CE 4.09Å; F211-M226 HydrophobicContact CD1-SD 4.27Å; F211-M226 HydrophobicContact CE1-CE 3.95Å; F211-M226 HydrophobicContact CE1-SD 3.78Å; I212-M226 HydrophobicContact CD1-CE 4.35Å; I212-M226 HydrophobicContact CG1-CB 4.34Å; I212-M226 HydrophobicContact CG1-CE 3.49Å; I212-M226 VanDerWaalsContact CG1-CE 3.49Å; I212-M226 HydrophobicContact CG1-SD 4.35Å; I212-M226 HydrophobicContact CG2-CB 3.98Å; W215-M226 HydrophobicContact CB-SD 3.86Å; W215-M226 HydrophobicContact CD2-SD 3.99Å; W215-M226 HydrophobicContact CG-CG 4.03Å; W215-M226 HydrophobicContact CG-SD 3.47Å; N216-M226 PolarHBondContact ND2-O 2.86Å; N216-M226 PolarHBondContact OD1-N 3.28Å; M226-Y232 HydrophobicContact CE-CD2 4.44Å; M226-Y232 HydrophobicContact CE-CE2 4.08Å
227S92.9Very high90.9Very high69 Ų6960.5 Ų60.548%0.48333%0.331SS..PPolyproline II helixtrans-88.6159.9161.8-600000109.7L229 Y232S227-L229 PolarHBondContact O-N 2.91Å; S227-Y232 WeakPolarHBondContact O-CE2 3.37Å
228Y92.8Very high90.6Very high7 Ų764.2 Ų64.23%0.02734%0.343CS..  trans-79.562.1177.8-68.3-102.3000111.3F4 D8 R11 V12 I15 E209 I212 F233F4-Y228 HydrophobicContact CE1-CE2 4.31Å; F4-Y228 AromaticContact CE1-CZ 3.89Å; F4-Y228 WeakPolarHBondContact CE1-OH 3.33Å; D8-Y228 HydrophobicContact CB-CD2 4.13Å; D8-Y228 HydrophobicContact CB-CE2 3.9Å; R11-Y228 HydrophobicContact CG-CG 4.34Å; R11-Y228 WeakPolarHBondContact CG-O 3.41Å; R11-Y228 PolarHBondContact NE-O 3.08Å; V12-Y228 HydrophobicContact CG2-CD1 4.45Å; V12-Y228 HydrophobicContact CG2-CE1 4.14Å; I15-Y228 HydrophobicContact CD1-CD1 4.03Å; E209-Y228 HydrophobicContact CB-CE1 3.99Å; E209-Y228 HydrophobicContact CG-CD1 4.15Å; E209-Y228 HydrophobicContact CG-CE1 3.86Å; I212-Y228 HydrophobicContact CB-CE1 4.16Å; I212-Y228 HydrophobicContact CD1-CD1 3.87Å; I212-Y228 HydrophobicContact CD1-CE1 4.09Å; I212-Y228 HydrophobicContact CD1-CG 4.3Å; I212-Y228 HydrophobicContact CG2-CD1 4.42Å; I212-Y228 HydrophobicContact CG2-CD2 4.13Å; I212-Y228 HydrophobicContact CG2-CE1 3.95Å; I212-Y228 HydrophobicContact CG2-CE2 3.62Å; I212-Y228 HydrophobicContact CG2-CG 4.48Å; I212-Y228 VanDerWaalsContact CG2-CZ 3.49Å; Y228-F233 HydrophobicContact CD1-CE2 4.22Å; Y228-F233 AromaticContact CD1-CZ 3.84Å; Y228-F233 HydrophobicContact CD1-CZ 3.84Å
229L93.3Very high90.1Very high63 Ų6371.1 Ų71.133%0.3337%0.374SS..  trans-68.5146-174-59.1176.6000112.5S227 E231 Y232 F233S227-L229 PolarHBondContact O-N 2.91Å; L229-E231 HydrophobicContact CB-CG 4.11Å; L229-E231 WeakPolarHBondContact CB-OE2 3.32Å; L229-E231 WeakPolarHBondContact CD1-OE1 2.88Å; L229-E231 PolarHBondContact O-N 3.14Å; L229-Y232 HydrophobicContact CB-CD2 3.94Å; L229-Y232 HydrophobicContact CB-CE2 3.9Å; L229-Y232 HydrophobicContact CD1-CE2 4.03Å; L229-Y232 HydrophobicContact CG-CE2 4.06Å; L229-Y232 PolarHBondContact O-N 2.88Å; L229-F233 VanDerWaalsContact O-CD2 3.29Å; L229-F233 WeakPolarHBondContact O-CD2 3.45Å
230P93Very high89.4Confident77 Ų7770.6 Ų70.650%0.537%0.371SS..G310 helixtrans-53.9-34.8179.5-21.628.4000114.7R11 Y232 F233R11-P230 VanDerWaalsContact NH2-CA 3.3Å; R11-P230 VanDerWaalsContact NH2-CG 3.33Å; P230-Y232 PolarHBondContact O-N 3.17Å; P230-Y232 VanDerWaalsContact O-N 3.13Å; P230-F233 CarbonylContact O-C 3.56Å; P230-F233 PolarHBondContact O-N 3.41Å
231E93.6Very high88.7Confident102 Ų10272.8 Ų72.848%0.47737%0.374SS..G310 helixtrans-64.1-13.4178.658.7-101-132.500114.7L229 V234L229-E231 HydrophobicContact CB-CG 4.11Å; L229-E231 WeakPolarHBondContact CB-OE2 3.32Å; L229-E231 WeakPolarHBondContact CD1-OE1 2.88Å; L229-E231 PolarHBondContact O-N 3.14Å; E231-V234 WeakPolarHBondContact O-CG2 3.41Å
232Y96.9Very high88.4Confident8 Ų874.9 Ų74.93%0.03138%0.378CS..G310 helixtrans-89.1-9.2174.4-57-35.9000113.4T82 H84 E112 R114 G168 I212 M226 S227 L229 P230T82-Y232 HydrophobicContact CG2-CD1 3.92Å; T82-Y232 HydrophobicContact CG2-CE1 3.77Å; H84-Y232 AromaticContact CE1-CD1 3.78Å; H84-Y232 AromaticContact CE1-CE1 3.79Å; E112-Y232 VanDerWaalsContact OE1-CE1 3.24Å; E112-Y232 WeakPolarHBondContact OE1-CE1 3.41Å; E112-Y232 VanDerWaalsContact OE1-CZ 3.29Å; E112-Y232 PolarHBondContact OE1-OH 3.44Å; R114-Y232 PolarHBondContact NH1-OH 2.91Å; R114-Y232 PolarHBondContact NH2-OH 3.39Å; G168-Y232 WeakPolarHBondContact CA-O 3.32Å; I212-Y232 HydrophobicContact CD1-CD2 4.26Å; M226-Y232 HydrophobicContact CE-CD2 4.44Å; M226-Y232 HydrophobicContact CE-CE2 4.08Å; S227-Y232 WeakPolarHBondContact O-CE2 3.37Å; L229-Y232 HydrophobicContact CB-CD2 3.94Å; L229-Y232 HydrophobicContact CB-CE2 3.9Å; L229-Y232 HydrophobicContact CD1-CE2 4.03Å; L229-Y232 HydrophobicContact CG-CE2 4.06Å; L229-Y232 PolarHBondContact O-N 2.88Å; P230-Y232 PolarHBondContact O-N 3.17Å; P230-Y232 VanDerWaalsContact O-N 3.13Å
233F96.6Very high88.5Confident13 Ų1367.9 Ų67.96%0.05735%0.348CS..SBendtrans-128.874-174.4-55.9-76000109.7I15 F205 Q208 E209 I212 Y228 L229 P230I15-F233 HydrophobicContact CD1-CD1 4.09Å; I15-F233 HydrophobicContact CD1-CD2 3.82Å; I15-F233 HydrophobicContact CD1-CE1 3.77Å; I15-F233 HydrophobicContact CD1-CE2 3.48Å; I15-F233 VanDerWaalsContact CD1-CE2 3.48Å; I15-F233 HydrophobicContact CD1-CG 4.11Å; I15-F233 HydrophobicContact CD1-CZ 3.45Å; I15-F233 VanDerWaalsContact CD1-CZ 3.45Å; I15-F233 HydrophobicContact CG1-CD1 4.32Å; I15-F233 HydrophobicContact CG1-CD2 4.14Å; I15-F233 HydrophobicContact CG1-CE1 4.48Å; I15-F233 HydrophobicContact CG1-CE2 4.31Å; I15-F233 HydrophobicContact CG1-CG 4.15Å; I15-F233 HydrophobicContact CG1-CZ 4.47Å; I15-F233 HydrophobicContact CG2-CD1 4.17Å; I15-F233 HydrophobicContact CG2-CE1 4.44Å; F205-F233 HydrophobicContact CB-CD1 3.73Å; F205-F233 HydrophobicContact CB-CE1 4.25Å; F205-F233 HydrophobicContact CD1-CB 4.23Å; F205-F233 HydrophobicContact CD1-CD1 4.04Å; F205-F233 HydrophobicContact CD2-CB 4.22Å; F205-F233 HydrophobicContact CD2-CD1 4.28Å; F205-F233 HydrophobicContact CE1-CB 4.15Å; F205-F233 HydrophobicContact CE2-CB 4.11Å; F205-F233 HydrophobicContact CG-CB 4.28Å; F205-F233 AromaticContact CG-CD1 3.77Å; F205-F233 HydrophobicContact CG-CD1 3.77Å; F205-F233 VanDerWaalsContact CZ-C 3.44Å; F205-F233 HydrophobicContact CZ-CB 4.08Å; Q208-F233 HydrophobicContact CB-CE1 3.9Å; Q208-F233 HydrophobicContact CG-CD1 4.32Å; Q208-F233 HydrophobicContact CG-CE1 3.68Å; Q208-F233 HydrophobicContact CG-CZ 3.92Å; E209-F233 HydrophobicContact CG-CE1 3.78Å; E209-F233 HydrophobicContact CG-CZ 3.98Å; I212-F233 HydrophobicContact CD1-CE2 4.28Å; I212-F233 HydrophobicContact CD1-CZ 3.8Å; Y228-F233 HydrophobicContact CD1-CE2 4.22Å; Y228-F233 AromaticContact CD1-CZ 3.84Å; Y228-F233 HydrophobicContact CD1-CZ 3.84Å; L229-F233 VanDerWaalsContact O-CD2 3.29Å; L229-F233 WeakPolarHBondContact O-CD2 3.45Å; P230-F233 CarbonylContact O-C 3.56Å; P230-F233 PolarHBondContact O-N 3.41Å
234V95.6Very high88.6Confident48 Ų4864.7 Ų64.729%0.29132%0.32SS..PPolyproline II helixtrans-103.4125.3-172.4177.60000109.1G168 Q169 F205 E231G168-V234 PolarHBondContact O-N 2.92Å; G168-V234 VanDerWaalsContact O-N 3.16Å; Q169-V234 HydrophobicContact CG-CB 3.77Å; Q169-V234 HydrophobicContact CG-CG1 3.76Å; Q169-V234 WeakPolarHBondContact CG-O 3.46Å; F205-V234 WeakPolarHBondContact CE1-O 3.41Å; E231-V234 WeakPolarHBondContact O-CG2 3.41Å
235L92.3Very high88.7Confident75 Ų7561.9 Ų61.939%0.39331%0.305SS..PPolyproline II helixtrans-66.6137.6175.9-67.6174000110.1I18 D22 T202 F205 Q237I18-L235 HydrophobicContact CG2-CD2 4.12Å; I18-L235 HydrophobicContact CG2-CG 4.46Å; D22-L235 HydrophobicContact CB-CD2 3.99Å; T202-L235 HydrophobicContact CG2-CD2 3.52Å; F205-L235 HydrophobicContact CE2-CD2 4.13Å; F205-L235 HydrophobicContact CZ-CD2 3.92Å; F205-L235 HydrophobicContact CZ-CG 4.43Å; L235-Q237 PolarHBondContact O-N 3.42Å
236P81.4Confident88.9Confident9 Ų958.4 Ų58.46%0.05829%0.292CS..PPolyproline II helixtrans-62.413717726.7-34.4000110.5E200 K238 I240E200-P236 HydrophobicContact CG-CB 4.39Å; P236-K238 VanDerWaalsContact C-N 3.26Å; P236-K238 PolarHBondContact O-N 2.89Å; P236-I240 HydrophobicContact CG-CD1 4.32Å
237Q80.3Confident89Confident188 Ų18858.3 Ų58.388%0.87929%0.291SS*.SBendtrans-72.4-22.7178.5-64-176.6-2.300112.9L235L235-Q237 PolarHBondContact O-N 3.42Å
238K82Confident89.2Confident103 Ų10355.1 Ų55.145%0.44827%0.269SS..SBendtrans-69.7140.4-177.4-173.6-177177.5-168.90111E58 P236 I240E58-K238 WeakPolarHBondContact OE1-CE 3.39Å; E58-K238 IonicContact OE1-NZ 2.63Å; E58-K238 PolarHBondContact OE1-NZ 2.97Å; E58-K238 IonicContact OE2-NZ 3.89Å; E58-K238 PolarHBondContact OE2-NZ 3.21Å; P236-K238 VanDerWaalsContact C-N 3.26Å; P236-K238 PolarHBondContact O-N 2.89Å; K238-I240 PolarHBondContact O-N 3.47Å
239Q79Confident89.3Confident151 Ų15154.8 Ų54.871%0.70627%0.267SS*.  trans-75.8112.2168.9-171.1169.11.800109.9E241Q239-E241 HydrophobicContact CG-CG 4.43Å
240I76.8Confident89.3Confident4 Ų452.5 Ų52.52%0.02126%0.257CS..  trans-96105.3172.4-54.2175.8000107.4R56 E58 P236 K238R56-I240 HydrophobicContact CB-CD1 4.48Å; R56-I240 VanDerWaalsContact O-CD1 3.3Å; R56-I240 WeakPolarHBondContact O-CD1 3.48Å; E58-I240 HydrophobicContact CG-CD1 4.2Å; E58-I240 HydrophobicContact CG-CG1 4.13Å; E58-I240 HydrophobicContact CG-CG2 3.98Å; P236-I240 HydrophobicContact CG-CD1 4.32Å; K238-I240 PolarHBondContact O-N 3.47Å
241E70.9Confident89.1Confident158 Ų15849.2 Ų49.274%0.73824%0.236SC*.SBendtrans-78.1-40.1-177.9-67.2-176.4170.900112.5Q239Q239-E241 HydrophobicContact CG-CG 4.43Å
242K80.3Confident88.8Confident132 Ų13244.7 Ų44.757%0.57422%0.216SC*.SBendtrans-123.593.3175.5-172.2-174.7176.9-169.30109.4
243G89.3Confident88Confident0 Ų045.5 Ų45.50%022%0.222CC..  trans-74151.1177.500000112.8N29 I55 P245N29-G243 PolarHBondContact ND2-O 3.05Å; N29-G243 VanDerWaalsContact ND2-O 3.1Å; I55-G243 CarbonylContact O-C 3.6Å; I55-G243 WeakPolarHBondContact O-CA 3.48Å; G243-P245 WeakPolarHBondContact O-CD 3.48Å
244V93.8Very high87Confident15 Ų1547.9 Ų47.99%0.09124%0.236CC..  trans-92.3113.2171.4178.70000109.9I55 N57 L59 M246 I375 D377 I380I55-V244 CarbonylContact O-C 3.45Å; I55-V244 VanDerWaalsContact O-C 3.31Å; I55-V244 PolarHBondContact O-N 3.1Å; I55-V244 VanDerWaalsContact O-N 3.08Å; N57-V244 PolarHBondContact ND2-O 3.18Å; N57-V244 PolarHBondContact O-N 3.46Å; L59-V244 HydrophobicContact CD1-CB 3.39Å; L59-V244 HydrophobicContact CD1-CG1 3.5Å; L59-V244 VanDerWaalsContact CD1-CG1 3.5Å; L59-V244 HydrophobicContact CD1-CG2 3.74Å; V244-M246 PolarHBondContact O-N 3.31Å; V244-I375 HydrophobicContact CG1-CG2 3.59Å; V244-D377 HydrophobicContact CG1-CB 3.89Å; V244-I380 HydrophobicContact CG1-CG1 4.15Å; V244-I380 HydrophobicContact CG2-CD1 4.49Å; V244-I380 HydrophobicContact CG2-CG1 4.24Å
245P94.6Very high86.2Confident0 Ų048 Ų480%024%0.238CC..  trans-70.5127.5175.7-9.725.4000111N29 L34 L53 A54 I55 G243 Y376N29-P245 HydrophobicContact CB-CG 3.53Å; L34-P245 HydrophobicContact CD2-CB 4.39Å; L34-P245 HydrophobicContact CD2-CG 4.21Å; L53-P245 HydrophobicContact CD1-CB 4.11Å; A54-P245 CarbonylContact O-C 3.58Å; A54-P245 WeakPolarHBondContact O-CA 3.37Å; I55-P245 HydrophobicContact CG1-CB 4.35Å; I55-P245 HydrophobicContact CG2-CG 4.35Å; G243-P245 WeakPolarHBondContact O-CD 3.48Å; P245-Y376 HydrophobicContact CB-CD2 4.44Å; P245-Y376 PolarHBondContact O-N 3.19Å
246M96.1Very high85.5Confident0 Ų050.3 Ų50.30%026%0.261CS..EExtended strand (participates in β ladder)trans-154.7160.7179.464.8-178.6-5700112.8A54 N57 L59 I199 A203 V244 I248 F374 I375A54-M246 PolarHBondContact N-O 3.43Å; A54-M246 PolarHBondContact O-N 3.48Å; N57-M246 HydrophobicContact CB-SD 4.23Å; L59-M246 HydrophobicContact CD1-SD 4.03Å; L59-M246 HydrophobicContact CD2-CE 4.21Å; L59-M246 HydrophobicContact CD2-SD 3.96Å; L59-M246 HydrophobicContact CG-SD 4.37Å; I199-M246 HydrophobicContact CD1-CE 3.88Å; I199-M246 HydrophobicContact CD1-SD 4.41Å; I199-M246 HydrophobicContact CG2-SD 4.38Å; A203-M246 HydrophobicContact CB-CE 4.41Å; A203-M246 HydrophobicContact CB-CG 3.88Å; A203-M246 HydrophobicContact CB-SD 3.74Å; V244-M246 PolarHBondContact O-N 3.31Å; M246-I248 HydrophobicContact CE-CD1 3.51Å; M246-I248 HydrophobicContact CE-CG1 4.42Å; M246-F374 CarbonylContact C-O 3.57Å; M246-F374 WeakPolarHBondContact CA-O 3.36Å; M246-F374 VanDerWaalsContact CB-O 3.25Å; M246-F374 WeakPolarHBondContact CB-O 3.25Å; M246-I375 HydrophobicContact CB-CG1 4.06Å; M246-I375 HydrophobicContact CE-CG1 4.36Å
247Q96.9Very high85.6Confident3 Ų355.2 Ų55.21%0.01428%0.283CS..EExtended strand (participates in β ladder)trans-124.9130.9170.1-74.4175-76.800109.3V42 F45 S51 L53 V249 F374 Y376V42-Q247 VanDerWaalsContact CA-OE1 3.3Å; F45-Q247 VanDerWaalsContact CB-NE2 3.29Å; F45-Q247 HydrophobicContact CD2-CB 4.43Å; S51-Q247 PolarHBondContact O-NE2 2.83Å; L53-Q247 HydrophobicContact CB-CG 4.19Å; L53-Q247 HydrophobicContact CD1-CG 4.18Å; Q247-V249 HydrophobicContact CB-CG2 4.45Å; Q247-F374 PolarHBondContact N-O 3.26Å; Q247-F374 PolarHBondContact O-N 3.5Å; Q247-Y376 HydrophobicContact CB-CE2 4.4Å; Q247-Y376 HydrophobicContact CG-CE2 4.08Å; Q247-Y376 PolarHBondContact OE1-OH 2.97Å
248I97.1Very high86.1Confident1 Ų148.2 Ų48.21%0.00525%0.251CS..EExtended strand (participates in β ladder)trans-90.4128.9168.8-58.2-63.4000107.2S51 I199 A203 T206 L207 I210 M246 V371 S373S51-I248 WeakPolarHBondContact CB-O 3.33Å; S51-I248 PolarHBondContact OG-O 3.06Å; S51-I248 VanDerWaalsContact OG-O 3.06Å; I199-I248 HydrophobicContact CD1-CD1 4.01Å; A203-I248 HydrophobicContact CB-CG1 4.12Å; T206-I248 HydrophobicContact CG2-CB 3.76Å; T206-I248 HydrophobicContact CG2-CG2 3.96Å; L207-I248 HydrophobicContact CD1-CD1 4.29Å; L207-I248 HydrophobicContact CD2-CG2 3.71Å; L207-I248 HydrophobicContact CG-CD1 4.32Å; L207-I248 HydrophobicContact CG-CG1 4.2Å; L207-I248 HydrophobicContact CG-CG2 3.98Å; I210-I248 HydrophobicContact CD1-CG2 3.7Å; M246-I248 HydrophobicContact CE-CD1 3.51Å; M246-I248 HydrophobicContact CE-CG1 4.42Å; I248-V371 HydrophobicContact CG2-CG2 3.7Å; I248-S373 WeakPolarHBondContact CD1-OG 3.27Å
249V95.8Very high86.6Confident0 Ų044.1 Ų44.10%023%0.233CC..EExtended strand (participates in β ladder)trans-128.1129.8-177.3-174.80000108.1F45 Q247 I259 I260 V371 S372 F374F45-V249 HydrophobicContact CD1-CG1 4.25Å; F45-V249 HydrophobicContact CD1-CG2 3.81Å; F45-V249 HydrophobicContact CD2-CG2 4.13Å; F45-V249 HydrophobicContact CE1-CB 4.42Å; F45-V249 HydrophobicContact CE1-CG1 3.95Å; F45-V249 HydrophobicContact CE1-CG2 3.74Å; F45-V249 HydrophobicContact CE2-CG2 4.04Å; F45-V249 HydrophobicContact CG-CG2 4.02Å; F45-V249 HydrophobicContact CZ-CG2 3.88Å; Q247-V249 HydrophobicContact CB-CG2 4.45Å; V249-I259 HydrophobicContact CG1-CG2 3.54Å; V249-I260 HydrophobicContact CB-CG1 4.18Å; V249-I260 HydrophobicContact CG1-CG1 3.69Å; V249-I260 WeakPolarHBondContact O-CD1 3.16Å; V249-V371 CarbonylContact O-C 3.36Å; V249-V371 WeakPolarHBondContact O-CA 3.07Å; V249-S372 PolarHBondContact N-O 3.49Å; V249-S372 PolarHBondContact O-N 2.98Å; V249-F374 HydrophobicContact CB-CD2 4.11Å; V249-F374 HydrophobicContact CB-CE2 3.91Å; V249-F374 HydrophobicContact CG2-CD2 3.62Å; V249-F374 HydrophobicContact CG2-CE2 3.84Å
250A93.2Very high87.4Confident15 Ų1536.9 Ų36.912%0.12420%0.2CC..EExtended strand (participates in β ladder)trans-113.6145.8176.400000110.3I210 E370I210-A250 HydrophobicContact CD1-CB 3.64Å; I210-A250 HydrophobicContact CG1-CB 3.83Å; I210-A250 HydrophobicContact CG2-CB 4.43Å; A250-E370 WeakPolarHBondContact CA-O 3.25Å
251D89.1Confident88.3Confident9 Ų937.4 Ų37.45%0.04820%0.202CC..EExtended strand (participates in β ladder)trans-133.7162.1177.3-149.4-16.3000109.9R161 Q258 I259 I260 F369 E370R161-D251 PolarHBondContact NH2-O 2.9Å; D251-Q258 WeakPolarHBondContact OD2-CA 3.37Å; D251-I259 PolarHBondContact OD2-N 2.84Å; D251-I260 HydrophobicContact CB-CB 4.17Å; D251-I260 HydrophobicContact CB-CD1 3.56Å; D251-I260 HydrophobicContact CB-CG1 3.78Å; D251-I260 PolarHBondContact OD2-N 3.16Å; D251-I260 VanDerWaalsContact OD2-N 3.14Å; D251-F369 WeakPolarHBondContact O-CA 3.43Å; D251-E370 PolarHBondContact N-O 3.28Å; D251-E370 PolarHBondContact O-N 2.96Å
252G86.3Confident89.5Confident6 Ų632.6 Ų32.66%0.06218%0.181CC..  trans-176.8163.6178.900000113.7D254 S255G252-D254 WeakPolarHBondContact CA-OD1 3.26Å; G252-D254 PolarHBondContact O-N 3.3Å; G252-S255 PolarHBondContact O-N 2.87Å; G252-S255 VanDerWaalsContact O-N 3.09Å
253P81.4Confident90.2Very high25 Ų2526.3 Ų26.316%0.16215%0.154CC..THydrogen-bonded Turntrans-66.44-177.229.9-38.6000114.6Y157 E366 F369Y157-P253 HydrophobicContact CD1-CB 3.68Å; Y157-P253 HydrophobicContact CD1-CG 3.66Å; Y157-P253 HydrophobicContact CD2-CB 4.47Å; Y157-P253 HydrophobicContact CD2-CG 4.11Å; Y157-P253 HydrophobicContact CE1-CB 3.47Å; Y157-P253 VanDerWaalsContact CE1-CB 3.47Å; Y157-P253 HydrophobicContact CE1-CG 3.98Å; Y157-P253 HydrophobicContact CE2-CB 4.26Å; Y157-P253 HydrophobicContact CE2-CG 4.36Å; Y157-P253 HydrophobicContact CG-CB 4.2Å; Y157-P253 HydrophobicContact CG-CG 3.76Å; P253-E366 WeakPolarHBondContact CB-O 3.28Å; P253-F369 HydrophobicContact CG-CD2 4.24Å; P253-F369 HydrophobicContact CG-CE2 3.51Å; P253-F369 HydrophobicContact CG-CZ 3.72Å
254D74.8Confident90.6Very high64 Ų6426.5 Ų26.534%0.34215%0.154SC..THydrogen-bonded Turntrans-90-25.2174.149-46.7000115.8M1 G252 F369M1-D254 HydrophobicContact CE-CB 3.22Å; M1-D254 WeakPolarHBondContact CE-OD2 3.32Å; M1-D254 HydrophobicContact SD-CB 2.94Å; M1-D254 WeakPolarHBondContact SD-CB 3.46Å; G252-D254 WeakPolarHBondContact CA-OD1 3.26Å; G252-D254 PolarHBondContact O-N 3.3Å; D254-F369 WeakPolarHBondContact OD1-CE1 3.48Å
255S77.7Confident90.8Very high49 Ų4926.7 Ų26.734%0.34316%0.156SC..  trans-83.3145.1169.2-176.50000109.3G252 E257G252-S255 PolarHBondContact O-N 2.87Å; G252-S255 VanDerWaalsContact O-N 3.09Å; S255-E257 WeakPolarHBondContact CB-O 3.34Å; S255-E257 PolarHBondContact OG-N 3.27Å; S255-E257 PolarHBondContact OG-O 3.35Å
256S77.7Confident90.9Very high124 Ų12431.8 Ų31.887%0.86718%0.175SC*.SBendtrans-79.2-13.7164.251.60000112.5
257E85.3Confident90.9Very high112 Ų11231.9 Ų31.952%0.52318%0.175SC..SBendtrans-102.2131.5-177.5-57.8-174.1170.300109.9S255 I259S255-E257 WeakPolarHBondContact CB-O 3.34Å; S255-E257 PolarHBondContact OG-N 3.27Å; S255-E257 PolarHBondContact OG-O 3.35Å; E257-I259 VanDerWaalsContact C-N 3.3Å; E257-I259 HydrophobicContact CB-CD1 4.36Å; E257-I259 HydrophobicContact CB-CG1 3.92Å; E257-I259 PolarHBondContact O-N 2.63Å
258Q89.9Confident91Very high42 Ų4231.7 Ų31.720%0.19618%0.175CC..  trans-93.465.3178.9-60.91766.800109.2D251 I260 K261 D262 E366D251-Q258 WeakPolarHBondContact OD2-CA 3.37Å; Q258-I260 VanDerWaalsContact C-N 3.34Å; Q258-I260 PolarHBondContact O-N 3.23Å; Q258-K261 HydrophobicContact CB-CB 4.1Å; Q258-K261 WeakPolarHBondContact O-CB 3.45Å; Q258-K261 PolarHBondContact O-N 3.46Å; Q258-D262 PolarHBondContact O-N 3.15Å; Q258-E366 VanDerWaalsContact NE2-CG 3.33Å; Q258-E366 PolarHBondContact NE2-OE1 3.24Å
259I92.6Very high91Very high16 Ų1636 Ų368%0.08220%0.197CC..Hα-helixtrans-58.3-42.7-165.8-71.3160000112.3F45 L48 V249 D251 E257 D262 G263F45-I259 HydrophobicContact CD1-CG2 4.12Å; F45-I259 HydrophobicContact CE1-CG2 3.95Å; L48-I259 HydrophobicContact CD1-CB 4.34Å; L48-I259 HydrophobicContact CD1-CD1 3.87Å; L48-I259 HydrophobicContact CD1-CG1 4.16Å; L48-I259 HydrophobicContact CD1-CG2 3.3Å; L48-I259 HydrophobicContact CD2-CD1 3.44Å; L48-I259 VanDerWaalsContact CD2-CD1 3.44Å; L48-I259 HydrophobicContact CD2-CG1 4.14Å; L48-I259 HydrophobicContact CG-CD1 4.29Å; V249-I259 HydrophobicContact CG1-CG2 3.54Å; D251-I259 PolarHBondContact OD2-N 2.84Å; E257-I259 VanDerWaalsContact C-N 3.3Å; E257-I259 HydrophobicContact CB-CD1 4.36Å; E257-I259 HydrophobicContact CB-CG1 3.92Å; E257-I259 PolarHBondContact O-N 2.63Å; I259-D262 PolarHBondContact O-N 3.44Å; I259-G263 PolarHBondContact O-N 3.4Å
260I95.4Very high91Very high0 Ų037.5 Ų37.50%021%0.209CC..Hα-helixtrans-67.7-43.9-178.2-70.9174.6000109.8V249 D251 Q258 D262 G263 F264 T358 E370 F374V249-I260 HydrophobicContact CB-CG1 4.18Å; V249-I260 HydrophobicContact CG1-CG1 3.69Å; V249-I260 WeakPolarHBondContact O-CD1 3.16Å; D251-I260 HydrophobicContact CB-CB 4.17Å; D251-I260 HydrophobicContact CB-CD1 3.56Å; D251-I260 HydrophobicContact CB-CG1 3.78Å; D251-I260 PolarHBondContact OD2-N 3.16Å; D251-I260 VanDerWaalsContact OD2-N 3.14Å; Q258-I260 VanDerWaalsContact C-N 3.34Å; Q258-I260 PolarHBondContact O-N 3.23Å; I260-D262 VanDerWaalsContact C-N 3.34Å; I260-D262 PolarHBondContact O-N 3.45Å; I260-G263 WeakPolarHBondContact O-CA 3.42Å; I260-G263 PolarHBondContact O-N 3.41Å; I260-F264 HydrophobicContact CG2-CD2 4.2Å; I260-F264 HydrophobicContact CG2-CE1 3.92Å; I260-F264 HydrophobicContact CG2-CE2 3.54Å; I260-F264 HydrophobicContact CG2-CZ 3.38Å; I260-F264 WeakPolarHBondContact O-CG 3.38Å; I260-F264 PolarHBondContact O-N 3.27Å; I260-T358 HydrophobicContact CG2-CG2 3.81Å; I260-E370 HydrophobicContact CD1-CB 4.15Å; I260-F374 HydrophobicContact CG2-CZ 4.38Å
261K95.9Very high91.1Very high14 Ų1437.3 Ų37.36%0.06121%0.208CC..Hα-helixtrans-58.3-48.6177-175.9-162.271.6176.90110.6Q258 G263 F264 V265 D285 M288 Y365Q258-K261 HydrophobicContact CB-CB 4.1Å; Q258-K261 WeakPolarHBondContact O-CB 3.45Å; Q258-K261 PolarHBondContact O-N 3.46Å; K261-G263 VanDerWaalsContact C-N 3.26Å; K261-G263 PolarHBondContact O-N 2.89Å; K261-F264 WeakPolarHBondContact O-CB 3.48Å; K261-F264 PolarHBondContact O-N 2.96Å; K261-F264 VanDerWaalsContact O-N 3.1Å; K261-V265 WeakPolarHBondContact O-CG2 3.38Å; K261-V265 PolarHBondContact O-N 3.28Å; K261-D285 WeakPolarHBondContact CD-OD2 3.05Å; K261-D285 IonicContact NZ-OD2 2.72Å; K261-D285 PolarHBondContact NZ-OD2 3.48Å; K261-M288 HydrophobicContact CG-CE 4.1Å; K261-Y365 HydrophobicContact CB-CD1 3.83Å; K261-Y365 HydrophobicContact CB-CE1 4.32Å; K261-Y365 HydrophobicContact CB-CG 3.95Å; K261-Y365 HydrophobicContact CD-CD2 3.73Å; K261-Y365 HydrophobicContact CD-CE2 4.22Å; K261-Y365 HydrophobicContact CD-CG 3.92Å; K261-Y365 HydrophobicContact CG-CD1 3.98Å; K261-Y365 HydrophobicContact CG-CD2 3.91Å; K261-Y365 HydrophobicContact CG-CE1 4.17Å; K261-Y365 HydrophobicContact CG-CE2 4.1Å; K261-Y365 HydrophobicContact CG-CG 3.85Å
262D95.1Very high91.5Very high57 Ų5744.5 Ų44.531%0.30524%0.241SC..Hα-helixtrans-68.1-29.9-179.3-71.9-10.1000111.5Y44 Q258 I259 I260 V265 R266Y44-D262 WeakPolarHBondContact OH-CB 3.34Å; Q258-D262 PolarHBondContact O-N 3.15Å; I259-D262 PolarHBondContact O-N 3.44Å; I260-D262 VanDerWaalsContact C-N 3.34Å; I260-D262 PolarHBondContact O-N 3.45Å; D262-V265 PolarHBondContact O-N 2.89Å; D262-R266 WeakPolarHBondContact O-CB 3.12Å; D262-R266 PolarHBondContact O-N 2.91Å
263G96.3Very high92Very high0 Ų050.4 Ų50.40%027%0.265CS..Hα-helixtrans-60.3-47.4166.700000112.7M41 I259 I260 K261 R266 M267M41-G263 WeakPolarHBondContact CE-O 3.38Å; I259-G263 PolarHBondContact O-N 3.4Å; I260-G263 WeakPolarHBondContact O-CA 3.42Å; I260-G263 PolarHBondContact O-N 3.41Å; K261-G263 VanDerWaalsContact C-N 3.26Å; K261-G263 PolarHBondContact O-N 2.89Å; G263-R266 PolarHBondContact O-N 2.81Å; G263-M267 WeakPolarHBondContact O-CG 3.39Å; G263-M267 PolarHBondContact O-N 3.43Å
264F98Very high92.8Very high4 Ų449.6 Ų49.62%0.01826%0.26CS..Hα-helixtrans-63-43.5174.4-62.5-24.8000112.1I260 K261 R266 M267 I268 M288 I346 S354 T358 Q360 Y365 F374I260-F264 HydrophobicContact CG2-CD2 4.2Å; I260-F264 HydrophobicContact CG2-CE1 3.92Å; I260-F264 HydrophobicContact CG2-CE2 3.54Å; I260-F264 HydrophobicContact CG2-CZ 3.38Å; I260-F264 WeakPolarHBondContact O-CG 3.38Å; I260-F264 PolarHBondContact O-N 3.27Å; K261-F264 WeakPolarHBondContact O-CB 3.48Å; K261-F264 PolarHBondContact O-N 2.96Å; K261-F264 VanDerWaalsContact O-N 3.1Å; F264-R266 VanDerWaalsContact C-N 3.26Å; F264-R266 PolarHBondContact O-N 3.3Å; F264-M267 HydrophobicContact CD1-SD 4.41Å; F264-M267 WeakPolarHBondContact O-CB 3.34Å; F264-M267 PolarHBondContact O-N 2.94Å; F264-I268 VanDerWaalsContact O-CG1 3.26Å; F264-I268 WeakPolarHBondContact O-CG1 3.49Å; F264-I268 PolarHBondContact O-N 3.2Å; F264-M288 HydrophobicContact CB-CE 3.5Å; F264-M288 VanDerWaalsContact CB-CE 3.5Å; F264-M288 HydrophobicContact CD2-CE 4.17Å; F264-M288 HydrophobicContact CG-CE 4.36Å; F264-I346 HydrophobicContact CB-CD1 3.92Å; F264-I346 HydrophobicContact CD1-CD1 3.66Å; F264-I346 HydrophobicContact CD2-CD1 4.14Å; F264-I346 HydrophobicContact CE1-CD1 4.2Å; F264-I346 HydrophobicContact CG-CD1 3.64Å; F264-S354 WeakPolarHBondContact CE1-OG 3.3Å; F264-T358 HydrophobicContact CE2-CG2 3.78Å; F264-T358 HydrophobicContact CZ-CG2 4.28Å; F264-Q360 VanDerWaalsContact CE2-NE2 3.33Å; F264-Y365 HydrophobicContact CD2-CE1 4.46Å; F264-F374 AromaticContact CD1-CE1 3.66Å; F264-F374 HydrophobicContact CD1-CE1 3.66Å; F264-F374 AromaticContact CD1-CZ 3.66Å; F264-F374 HydrophobicContact CD1-CZ 3.66Å; F264-F374 AromaticContact CE1-CE1 3.85Å; F264-F374 HydrophobicContact CE1-CE1 3.85Å; F264-F374 HydrophobicContact CE1-CE2 4.4Å; F264-F374 AromaticContact CE1-CZ 3.53Å; F264-F374 HydrophobicContact CE1-CZ 3.53Å
265V97.9Very high94Very high19 Ų1946.5 Ų46.512%0.11524%0.244CC..Hα-helixtrans-56.2-44.8174.1168.30000110K261 D262 I268 L269 T287 M288 A291K261-V265 WeakPolarHBondContact O-CG2 3.38Å; K261-V265 PolarHBondContact O-N 3.28Å; D262-V265 PolarHBondContact O-N 2.89Å; V265-I268 PolarHBondContact O-N 2.74Å; V265-L269 HydrophobicContact CG1-CD1 3.69Å; V265-L269 HydrophobicContact CG1-CG 4.24Å; V265-L269 WeakPolarHBondContact O-CB 3.47Å; V265-L269 VanDerWaalsContact O-CG 3.28Å; V265-L269 WeakPolarHBondContact O-CG 3.3Å; V265-L269 PolarHBondContact O-N 3.45Å; V265-T287 HydrophobicContact CG2-CG2 3.98Å; V265-M288 HydrophobicContact CG2-CE 4.01Å; V265-M288 HydrophobicContact CG2-SD 4.38Å; V265-A291 HydrophobicContact CB-CB 4.4Å; V265-A291 HydrophobicContact CG1-CB 4.03Å; V265-A291 HydrophobicContact CG2-CB 4.2Å
266R96.3Very high95Very high107 Ų10744.3 Ų44.340%0.40423%0.228SC..Hα-helixtrans-65.5-39178.8-169.4159.4179.578.1-4.6112.9A40 M41 D262 G263 F264 A270A40-R266 PolarHBondContact O-NE 3.02Å; A40-R266 PolarHBondContact O-NH2 3.03Å; M41-R266 HydrophobicContact SD-CB 3.79Å; M41-R266 HydrophobicContact SD-CG 3.67Å; D262-R266 WeakPolarHBondContact O-CB 3.12Å; D262-R266 PolarHBondContact O-N 2.91Å; G263-R266 PolarHBondContact O-N 2.81Å; F264-R266 VanDerWaalsContact C-N 3.26Å; F264-R266 PolarHBondContact O-N 3.3Å; R266-A270 VanDerWaalsContact O-CB 3.3Å; R266-A270 WeakPolarHBondContact O-CB 3.49Å; R266-A270 PolarHBondContact O-N 2.93Å; R266-A270 VanDerWaalsContact O-N 3.09Å
267M97Very high96Very high2 Ų238.4 Ų38.41%0.0119%0.187CC..Hα-helixtrans-59.9-48.5171.8-69.717863.600111.5M41 G263 F264 L269 A270 A271 I346 V348 L352 F374M41-M267 HydrophobicContact CE-CG 3.67Å; M41-M267 HydrophobicContact SD-CG 3.81Å; G263-M267 WeakPolarHBondContact O-CG 3.39Å; G263-M267 PolarHBondContact O-N 3.43Å; F264-M267 HydrophobicContact CD1-SD 4.41Å; F264-M267 WeakPolarHBondContact O-CB 3.34Å; F264-M267 PolarHBondContact O-N 2.94Å; M267-L269 PolarHBondContact O-N 3.26Å; M267-A270 PolarHBondContact O-N 3.19Å; M267-A271 PolarHBondContact O-N 2.84Å; M267-I346 HydrophobicContact CE-CB 4.26Å; M267-I346 HydrophobicContact CE-CG2 3.98Å; M267-V348 HydrophobicContact CB-CG2 4.25Å; M267-V348 HydrophobicContact CE-CG2 4.25Å; M267-L352 HydrophobicContact CB-CD1 4.49Å; M267-L352 HydrophobicContact CE-CB 3.87Å; M267-L352 HydrophobicContact CG-CD1 4.32Å; M267-F374 HydrophobicContact CG-CD1 4.28Å; M267-F374 HydrophobicContact CG-CE1 4.28Å; M267-F374 HydrophobicContact SD-CD1 3.44Å; M267-F374 WeakPolarHBondContact SD-CD1 3.5Å; M267-F374 HydrophobicContact SD-CE1 3.48Å; M267-F374 WeakPolarHBondContact SD-CE1 3.47Å
268I98Very high96.6Very high0 Ų033.3 Ų33.30%016%0.163CC..Hα-helixtrans-64.8-41.3-177-66.6168.3000111.1F264 V265 A270 A271 V275 I277 M288 A291 I292 A295F264-I268 VanDerWaalsContact O-CG1 3.26Å; F264-I268 WeakPolarHBondContact O-CG1 3.49Å; F264-I268 PolarHBondContact O-N 3.2Å; V265-I268 PolarHBondContact O-N 2.74Å; I268-A270 VanDerWaalsContact C-N 3.28Å; I268-A270 PolarHBondContact O-N 3.47Å; I268-A271 VanDerWaalsContact O-CB 3.29Å; I268-A271 WeakPolarHBondContact O-CB 3.35Å; I268-A271 PolarHBondContact O-N 2.99Å; I268-V275 HydrophobicContact CG1-CG1 3.89Å; I268-V275 HydrophobicContact CG2-CG1 4.47Å; I268-V275 HydrophobicContact CG2-CG2 4.37Å; I268-I277 HydrophobicContact CD1-CD1 4.33Å; I268-M288 HydrophobicContact CD1-SD 3.51Å; I268-M288 VanDerWaalsContact CD1-SD 3.51Å; I268-A291 HydrophobicContact CB-CB 4.44Å; I268-A291 HydrophobicContact CG2-CB 4.11Å; I268-A291 WeakPolarHBondContact CG2-O 3.38Å; I268-I292 HydrophobicContact CD1-CG1 4.11Å; I268-A295 HydrophobicContact CG2-CB 3.91Å
269L96.8Very high97Very high91 Ų9131.3 Ų31.348%0.47615%0.153SC..Hα-helixtrans-74.8-16.9179.1-67.5178.3000113.5V265 M267 A271 A291 I294V265-L269 HydrophobicContact CG1-CD1 3.69Å; V265-L269 HydrophobicContact CG1-CG 4.24Å; V265-L269 WeakPolarHBondContact O-CB 3.47Å; V265-L269 VanDerWaalsContact O-CG 3.28Å; V265-L269 WeakPolarHBondContact O-CG 3.3Å; V265-L269 PolarHBondContact O-N 3.45Å; M267-L269 PolarHBondContact O-N 3.26Å; L269-A271 VanDerWaalsContact C-N 3.34Å; L269-A291 HydrophobicContact CD2-CB 4.37Å; L269-A291 HydrophobicContact CG-CB 4.38Å; L269-I294 HydrophobicContact CD2-CB 4.12Å; L269-I294 HydrophobicContact CD2-CD1 4.19Å; L269-I294 HydrophobicContact CD2-CG2 3.78Å
270A95.2Very high97.3Very high31 Ų3130.6 Ų30.626%0.25615%0.15SC..THydrogen-bonded Turntrans-85-8.7173.900000113.1A37 R266 M267 I268A37-A270 HydrophobicContact CB-CB 4.12Å; R266-A270 VanDerWaalsContact O-CB 3.3Å; R266-A270 WeakPolarHBondContact O-CB 3.49Å; R266-A270 PolarHBondContact O-N 2.93Å; R266-A270 VanDerWaalsContact O-N 3.09Å; M267-A270 PolarHBondContact O-N 3.19Å; I268-A270 VanDerWaalsContact C-N 3.28Å; I268-A270 PolarHBondContact O-N 3.47Å
271A96.7Very high97.4Very high12 Ų1232.3 Ų32.310%0.09916%0.157CC..  trans-67.8144.5-177.400000112.4M267 I268 L269 V275 I300 V348 D349M267-A271 PolarHBondContact O-N 2.84Å; I268-A271 VanDerWaalsContact O-CB 3.29Å; I268-A271 WeakPolarHBondContact O-CB 3.35Å; I268-A271 PolarHBondContact O-N 2.99Å; L269-A271 VanDerWaalsContact C-N 3.34Å; A271-V275 HydrophobicContact CB-CG2 3.41Å; A271-V275 VanDerWaalsContact CB-CG2 3.41Å; A271-I300 HydrophobicContact CB-CD1 3.78Å; A271-I300 HydrophobicContact CB-CG2 4.23Å; A271-I300 WeakPolarHBondContact O-CD1 3.22Å; A271-V348 HydrophobicContact CB-CG1 3.45Å; A271-V348 VanDerWaalsContact CB-CG1 3.45Å; A271-D349 WeakPolarHBondContact CA-OD2 3.21Å
272E96.2Very high97.5Very high160 Ų16031.7 Ų31.775%0.74815%0.154SC*.SBendtrans-119.4-24.3175.9-63.6-167.9168.100112.2D349E272-D349 PolarHBondContact N-OD1 3.46Å; E272-D349 PolarHBondContact N-OD2 2.9Å
273K97.8Very high97.6Very high129 Ų12929 Ų2956%0.56114%0.139SC*.SBendtrans-129.3-49.6-171.6-59.1170.7-169.9154.10113.3D301 D349K273-D301 PolarHBondContact O-N 3.35Å; K273-D349 WeakPolarHBondContact CA-OD1 3.49Å; K273-D349 WeakPolarHBondContact CB-OD1 3.24Å; K273-D349 PolarHBondContact N-OD1 3.05Å
274S98.5Very high97.6Very high8 Ų829 Ų296%0.05614%0.14CC..EExtended strand (participates in β ladder)trans-149.6147.4-173.552.50000113.9D301 V348 D349S274-D301 WeakPolarHBondContact CA-O 3.45Å; S274-V348 WeakPolarHBondContact O-CA 3.43Å; S274-D349 PolarHBondContact N-OD1 3.38Å; S274-D349 PolarHBondContact O-N 2.98Å
275V98.7Very high97.5Very high0 Ų029.8 Ų29.80%014%0.144CC..EExtended strand (participates in β ladder)trans-136.3106.6170.91740000108.1I268 A271 I277 A295 I300 D301 V302 R303 V348I268-V275 HydrophobicContact CG1-CG1 3.89Å; I268-V275 HydrophobicContact CG2-CG1 4.47Å; I268-V275 HydrophobicContact CG2-CG2 4.37Å; A271-V275 HydrophobicContact CB-CG2 3.41Å; A271-V275 VanDerWaalsContact CB-CG2 3.41Å; V275-I277 HydrophobicContact CG1-CD1 4.07Å; V275-I277 HydrophobicContact CG1-CG1 4.09Å; V275-A295 HydrophobicContact CG2-CB 4.45Å; V275-I300 HydrophobicContact CG2-CG2 4.02Å; V275-D301 PolarHBondContact N-O 3.33Å; V275-V302 HydrophobicContact CB-CG1 4.32Å; V275-V302 HydrophobicContact CB-CG2 4.3Å; V275-V302 HydrophobicContact CG1-CG1 4.41Å; V275-V302 VanDerWaalsContact O-CA 3.31Å; V275-V302 WeakPolarHBondContact O-CA 3.31Å; V275-R303 PolarHBondContact O-N 3.25Å; V275-V348 HydrophobicContact CG2-CG2 4.19Å
276W98.8Very high97.5Very high2 Ų236.8 Ų36.81%0.00818%0.176CC..EExtended strand (participates in β ladder)trans-116.8128.3-178.9-55.6-8.7000111.2D301 R303 I346 V347 R385 F388 E389W276-D301 PolarHBondContact NE1-O 3.03Å; W276-D301 PolarHBondContact NE1-OD2 3.07Å; W276-R303 CarbonylContact C-O 3.58Å; W276-R303 WeakPolarHBondContact CA-O 3.32Å; W276-R303 HydrophobicContact CB-CB 4.38Å; W276-R303 HydrophobicContact CG-CB 4.01Å; W276-R303 HydrophobicContact CG-CG 4.23Å; W276-I346 CarbonylContact O-C 3.59Å; W276-I346 WeakPolarHBondContact O-CA 3.36Å; W276-V347 HydrophobicContact CB-CG1 3.72Å; W276-V347 HydrophobicContact CE3-CG1 4.37Å; W276-V347 HydrophobicContact CG-CG1 4.41Å; W276-V347 PolarHBondContact N-O 3.31Å; W276-V347 PolarHBondContact O-N 2.85Å; W276-R385 HydrophobicContact CE3-CG 4.39Å; W276-R385 HydrophobicContact CH2-CG 4.03Å; W276-R385 HydrophobicContact CZ3-CB 4.23Å; W276-R385 HydrophobicContact CZ3-CG 3.6Å; W276-F388 HydrophobicContact CB-CD2 4.02Å; W276-F388 HydrophobicContact CB-CE2 3.92Å; W276-F388 HydrophobicContact CB-CG 4.37Å; W276-F388 HydrophobicContact CB-CZ 4.19Å; W276-F388 HydrophobicContact CD2-CD1 4.18Å; W276-F388 HydrophobicContact CD2-CE1 4.37Å; W276-F388 HydrophobicContact CE3-CB 3.96Å; W276-F388 AromaticContact CE3-CD1 3.5Å; W276-F388 HydrophobicContact CE3-CD1 3.5Å; W276-F388 HydrophobicContact CE3-CD2 4.47Å; W276-F388 HydrophobicContact CE3-CE1 4.14Å; W276-F388 AromaticContact CE3-CG 3.73Å; W276-F388 HydrophobicContact CE3-CG 3.73Å; W276-F388 HydrophobicContact CZ3-CB 4.36Å; W276-F388 AromaticContact CZ3-CD1 3.93Å; W276-F388 HydrophobicContact CZ3-CD1 3.93Å; W276-F388 HydrophobicContact CZ3-CG 4.37Å; W276-E389 HydrophobicContact CH2-CG 4.02Å; W276-E389 WeakPolarHBondContact CH2-OE1 3.33Å; W276-E389 HydrophobicContact CZ3-CG 3.8Å
277I98.9Very high97.5Very high1 Ų134.7 Ų34.71%0.00518%0.175CC..EExtended strand (participates in β ladder)trans-126.5132.2-169.6-56.3178.1000109.4I268 V275 I292 R303 I304 M305 T345 I346 Q360I268-I277 HydrophobicContact CD1-CD1 4.33Å; V275-I277 HydrophobicContact CG1-CD1 4.07Å; V275-I277 HydrophobicContact CG1-CG1 4.09Å; I277-I292 HydrophobicContact CD1-CD1 4.47Å; I277-R303 PolarHBondContact N-O 3.22Å; I277-I304 HydrophobicContact CB-CG1 4.27Å; I277-I304 HydrophobicContact CB-CG2 4.42Å; I277-I304 CarbonylContact O-C 3.58Å; I277-I304 VanDerWaalsContact O-CA 3.31Å; I277-I304 WeakPolarHBondContact O-CA 3.17Å; I277-M305 PolarHBondContact O-N 2.85Å; I277-T345 CarbonylContact C-O 3.53Å; I277-T345 VanDerWaalsContact CA-O 3.32Å; I277-T345 WeakPolarHBondContact CA-O 3.37Å; I277-I346 HydrophobicContact CG1-CG1 4.17Å; I277-I346 HydrophobicContact CG1-CG2 4.26Å; I277-I346 HydrophobicContact CG2-CG1 4.31Å; I277-Q360 HydrophobicContact CG2-CG 3.87Å
278Q98.8Very high97.6Very high4 Ų434.6 Ų34.62%0.01918%0.175CC..EExtended strand (participates in β ladder)trans-111.3132.3162.9-53.8-176-59.500108.7M305 L341 S343 K344 T345 F388 D391Q278-M305 HydrophobicContact CG-CB 4.1Å; Q278-M305 HydrophobicContact CG-SD 4.48Å; Q278-M305 PolarHBondContact NE2-SD 3.09Å; Q278-L341 HydrophobicContact CB-CD2 4.36Å; Q278-S343 CarbonylContact C-O 3.57Å; Q278-S343 VanDerWaalsContact C-O 3.29Å; Q278-S343 VanDerWaalsContact O-O 3.08Å; Q278-K344 WeakPolarHBondContact O-CA 3.36Å; Q278-T345 WeakPolarHBondContact CB-OG1 3.31Å; Q278-T345 WeakPolarHBondContact CG-OG1 3.31Å; Q278-T345 PolarHBondContact N-O 3.3Å; Q278-T345 PolarHBondContact O-N 3.33Å; Q278-T345 PolarHBondContact OE1-OG1 3.27Å; Q278-T345 VanDerWaalsContact OE1-OG1 3.12Å; Q278-F388 HydrophobicContact CG-CD2 3.66Å; Q278-F388 HydrophobicContact CG-CE2 3.84Å; Q278-D391 PolarHBondContact NE2-OD2 2.98Å
279S98.4Very high97.6Very high0 Ų035.6 Ų35.60%018%0.179CC..  trans-153.6139.5173-156.70000111.2Y281 M305 S343 Q360S279-Y281 WeakPolarHBondContact CB-O 3.49Å; S279-Y281 PolarHBondContact O-N 3.24Å; S279-Y281 PolarHBondContact OG-O 3.12Å; S279-Y281 VanDerWaalsContact OG-O 3.06Å; S279-M305 PolarHBondContact N-O 3.03Å; S279-M305 VanDerWaalsContact N-O 3.12Å; S279-S343 WeakPolarHBondContact CA-O 3.32Å; S279-S343 PolarHBondContact N-O 3.27Å; S279-Q360 PolarHBondContact OG-N 2.9Å
280P97.6Very high97.7Very high2 Ų234.1 Ų34.11%0.01318%0.177CC..SBendtrans-65.4-28.9172.126.7-33.6000112P307 F340 S343 N359P280-P307 HydrophobicContact CB-CG 4.33Å; P280-P307 WeakPolarHBondContact O-CD 3.49Å; P280-F340 HydrophobicContact CB-CE1 4.48Å; P280-F340 HydrophobicContact CB-CZ 4.36Å; P280-S343 WeakPolarHBondContact CD-O 3.27Å; P280-N359 WeakPolarHBondContact CG-OD1 3.36Å
281Y97.5Very high97.9Very high35 Ų3532.8 Ų32.814%0.13717%0.166CC..  trans-126.6124.4-174.8-46.4-42.7000109.7S279 D311 I315 N359 Q360 D361S279-Y281 WeakPolarHBondContact CB-O 3.49Å; S279-Y281 PolarHBondContact O-N 3.24Å; S279-Y281 PolarHBondContact OG-O 3.12Å; S279-Y281 VanDerWaalsContact OG-O 3.06Å; Y281-D311 WeakPolarHBondContact CE1-OD1 3.5Å; Y281-D311 WeakPolarHBondContact CE1-OD2 3.17Å; Y281-D311 PolarHBondContact OH-OD2 3.15Å; Y281-I315 HydrophobicContact CD1-CB 4.49Å; Y281-I315 HydrophobicContact CD1-CD1 3.5Å; Y281-I315 VanDerWaalsContact CD1-CD1 3.5Å; Y281-I315 HydrophobicContact CD1-CG1 3.78Å; Y281-I315 HydrophobicContact CD1-CG2 3.89Å; Y281-I315 HydrophobicContact CD2-CD1 3.57Å; Y281-I315 HydrophobicContact CE1-CD1 3.94Å; Y281-I315 HydrophobicContact CE1-CG1 4.4Å; Y281-I315 HydrophobicContact CE1-CG2 3.81Å; Y281-I315 HydrophobicContact CE2-CD1 3.98Å; Y281-I315 HydrophobicContact CG-CD1 3.32Å; Y281-I315 HydrophobicContact CG-CG1 3.93Å; Y281-N359 HydrophobicContact CD2-CB 4.04Å; Y281-N359 VanDerWaalsContact CD2-CG 3.5Å; Y281-Q360 CarbonylContact O-C 3.47Å; Y281-Q360 PolarHBondContact O-N 3.24Å; Y281-D361 WeakPolarHBondContact CB-OD2 3.49Å; Y281-D361 WeakPolarHBondContact CD2-OD2 3.31Å
282L98Very high98Very high1 Ų132.3 Ų32.31%0.00516%0.162CC..EExtended strand (participates in β ladder)trans-117.279.5176.9-17565.8000108.2P284 I304 I306 T319 Y322 F326 Q360L282-P284 HydrophobicContact CD1-CG 4.39Å; L282-I304 HydrophobicContact CD1-CD1 4.07Å; L282-I304 HydrophobicContact CD1-CG2 4.12Å; L282-I304 HydrophobicContact CD2-CD1 4.3Å; L282-I304 HydrophobicContact CD2-CG2 4.04Å; L282-I306 HydrophobicContact CB-CG2 4.01Å; L282-I306 HydrophobicContact CD2-CG2 4.29Å; L282-T319 HydrophobicContact CB-CG2 4Å; L282-T319 PolarHBondContact N-OG1 3.23Å; L282-T319 VanDerWaalsContact N-OG1 3.14Å; L282-T319 WeakPolarHBondContact O-CA 3.33Å; L282-Y322 VanDerWaalsContact O-CB 3.31Å; L282-Y322 WeakPolarHBondContact O-CB 3.29Å; L282-Y322 WeakPolarHBondContact O-CD2 3.4Å; L282-F326 HydrophobicContact CD1-CE2 4.07Å; L282-F326 HydrophobicContact CD2-CD2 3.86Å; L282-F326 HydrophobicContact CD2-CE2 4.19Å; L282-F326 HydrophobicContact CG-CD2 4.32Å; L282-F326 HydrophobicContact CG-CE2 4.14Å; L282-Q360 HydrophobicContact CD1-CB 4.35Å
283V97.7Very high98.1Very high0 Ų026.3 Ų26.30%014%0.135CC..EExtended strand (participates in β ladder)trans-130.354.8178.3-173.30000109.5I315 A318 Y322 Q360 D361 I362 S421V283-I315 HydrophobicContact CG2-CG1 4.38Å; V283-A318 HydrophobicContact CG1-CB 4.45Å; V283-A318 HydrophobicContact CG2-CB 3.67Å; V283-Y322 HydrophobicContact CB-CD2 4.4Å; V283-Y322 HydrophobicContact CB-CE2 4.33Å; V283-Y322 HydrophobicContact CG1-CD2 4.34Å; V283-Y322 HydrophobicContact CG1-CE2 3.79Å; V283-Y322 HydrophobicContact CG2-CD2 4.37Å; V283-Q360 CarbonylContact C-O 3.47Å; V283-Q360 PolarHBondContact N-O 3.41Å; V283-D361 HydrophobicContact CB-CB 3.84Å; V283-D361 VanDerWaalsContact O-CA 3.26Å; V283-D361 WeakPolarHBondContact O-CA 3.23Å; V283-I362 PolarHBondContact O-N 3.34Å; V283-I362 VanDerWaalsContact O-N 3.12Å; V283-S421 VanDerWaalsContact CG1-OG 3.24Å; V283-S421 WeakPolarHBondContact CG1-OG 3.49Å
284P97.5Very high98.1Very high2 Ų224.4 Ų24.41%0.01313%0.129CC..  trans-66.6157.8-173.726.6-34.2000112.8L282 M288 I289 F326L282-P284 HydrophobicContact CD1-CG 4.39Å; P284-M288 HydrophobicContact CB-CB 3.78Å; P284-M288 HydrophobicContact CB-CG 3.7Å; P284-I289 HydrophobicContact CB-CG1 4.11Å; P284-I289 HydrophobicContact CG-CD1 4.34Å; P284-I289 HydrophobicContact CG-CG1 3.67Å; P284-F326 HydrophobicContact CG-CE2 3.72Å; P284-F326 HydrophobicContact CG-CZ 3.75Å
285D95.8Very high98.1Very high20 Ų2024.1 Ų24.111%0.10713%0.128CC..  trans-76.3175.9169.778.9-17.4000111.9K261 T287 M288 I289 I362K261-D285 WeakPolarHBondContact CD-OD2 3.05Å; K261-D285 IonicContact NZ-OD2 2.72Å; K261-D285 PolarHBondContact NZ-OD2 3.48Å; D285-T287 VanDerWaalsContact C-N 3.27Å; D285-T287 PolarHBondContact O-N 2.72Å; D285-T287 PolarHBondContact OD1-N 3.06Å; D285-M288 PolarHBondContact O-N 2.89Å; D285-M288 VanDerWaalsContact OD1-CB 3.26Å; D285-M288 WeakPolarHBondContact OD1-CB 3.38Å; D285-M288 PolarHBondContact OD1-N 2.62Å; D285-I289 WeakPolarHBondContact O-CB 3.42Å; D285-I289 WeakPolarHBondContact O-CD1 3.33Å; D285-I289 WeakPolarHBondContact O-CG1 3.47Å; D285-I289 PolarHBondContact O-N 3.04Å; D285-I362 HydrophobicContact CB-CG1 4Å
286E96.7Very high98.1Very high166 Ų16625.4 Ų25.478%0.77614%0.135SC*.Hα-helixtrans-63-33.5-178.6-64.8-172.9166.800112.9S290E286-S290 VanDerWaalsContact O-CB 3.31Å; E286-S290 WeakPolarHBondContact O-CB 3.39Å; E286-S290 PolarHBondContact O-N 2.86Å; E286-S290 PolarHBondContact O-OG 3.12Å
287T97.5Very high98.1Very high63 Ų6336.2 Ų36.239%0.38718%0.176SC..Hα-helixtrans-65.9-49.5179-57.20000110.7V265 D285 S290 A291V265-T287 HydrophobicContact CG2-CG2 3.98Å; D285-T287 VanDerWaalsContact C-N 3.27Å; D285-T287 PolarHBondContact O-N 2.72Å; D285-T287 PolarHBondContact OD1-N 3.06Å; T287-S290 WeakPolarHBondContact O-CB 3.23Å; T287-S290 PolarHBondContact O-N 2.86Å; T287-A291 PolarHBondContact O-N 2.8Å
288M98.2Very high98.1Very high0 Ų040.1 Ų40.10%020%0.204CC..Hα-helixtrans-66.7-41.5178.2-176.859.472.600111.9K261 F264 V265 I268 P284 D285 S290 A291 I292 Y365K261-M288 HydrophobicContact CG-CE 4.1Å; F264-M288 HydrophobicContact CB-CE 3.5Å; F264-M288 VanDerWaalsContact CB-CE 3.5Å; F264-M288 HydrophobicContact CD2-CE 4.17Å; F264-M288 HydrophobicContact CG-CE 4.36Å; V265-M288 HydrophobicContact CG2-CE 4.01Å; V265-M288 HydrophobicContact CG2-SD 4.38Å; I268-M288 HydrophobicContact CD1-SD 3.51Å; I268-M288 VanDerWaalsContact CD1-SD 3.51Å; P284-M288 HydrophobicContact CB-CB 3.78Å; P284-M288 HydrophobicContact CB-CG 3.7Å; D285-M288 PolarHBondContact O-N 2.89Å; D285-M288 VanDerWaalsContact OD1-CB 3.26Å; D285-M288 WeakPolarHBondContact OD1-CB 3.38Å; D285-M288 PolarHBondContact OD1-N 2.62Å; M288-S290 VanDerWaalsContact C-N 3.27Å; M288-S290 PolarHBondContact O-N 2.83Å; M288-A291 PolarHBondContact O-N 3Å; M288-I292 HydrophobicContact CG-CD1 4.05Å; M288-I292 WeakPolarHBondContact O-CG1 3.45Å; M288-I292 PolarHBondContact O-N 3.22Å; M288-I292 HydrophobicContact SD-CD1 4.33Å; M288-I292 HydrophobicContact SD-CG1 4.44Å; M288-Y365 HydrophobicContact CB-CE2 4.39Å
289I98.6Very high98Very high20 Ų2043.3 Ų43.310%0.10324%0.238CC..Hα-helixtrans-55.3-47.7172.2-70.1165.3000109.9P284 D285 A291 I292 L293 Y322 Y325 F326P284-I289 HydrophobicContact CB-CG1 4.11Å; P284-I289 HydrophobicContact CG-CD1 4.34Å; P284-I289 HydrophobicContact CG-CG1 3.67Å; D285-I289 WeakPolarHBondContact O-CB 3.42Å; D285-I289 WeakPolarHBondContact O-CD1 3.33Å; D285-I289 WeakPolarHBondContact O-CG1 3.47Å; D285-I289 PolarHBondContact O-N 3.04Å; I289-A291 PolarHBondContact O-N 3.45Å; I289-I292 PolarHBondContact O-N 2.75Å; I289-L293 HydrophobicContact CG2-CD1 3.85Å; I289-L293 HydrophobicContact CG2-CG 4.24Å; I289-L293 WeakPolarHBondContact O-CB 3.19Å; I289-L293 VanDerWaalsContact O-CG 3.26Å; I289-L293 WeakPolarHBondContact O-CG 3.31Å; I289-L293 PolarHBondContact O-N 2.5Å; I289-Y322 HydrophobicContact CD1-CD1 4.23Å; I289-Y322 HydrophobicContact CD1-CE1 3.85Å; I289-Y325 HydrophobicContact CG2-CE1 3.81Å; I289-F326 HydrophobicContact CB-CZ 4.35Å; I289-F326 HydrophobicContact CG1-CE1 4.41Å; I289-F326 HydrophobicContact CG1-CZ 3.82Å; I289-F326 HydrophobicContact CG2-CE1 4.24Å; I289-F326 HydrophobicContact CG2-CZ 4.46Å
290S98.7Very high98Very high61 Ų6144 Ų4443%0.42724%0.241SC..Hα-helixtrans-62-44.4-179.5-61.30000111.8E286 T287 M288 I292 L293 I294E286-S290 VanDerWaalsContact O-CB 3.31Å; E286-S290 WeakPolarHBondContact O-CB 3.39Å; E286-S290 PolarHBondContact O-N 2.86Å; E286-S290 PolarHBondContact O-OG 3.12Å; T287-S290 WeakPolarHBondContact O-CB 3.23Å; T287-S290 PolarHBondContact O-N 2.86Å; M288-S290 VanDerWaalsContact C-N 3.27Å; M288-S290 PolarHBondContact O-N 2.83Å; S290-I292 PolarHBondContact O-N 3.15Å; S290-L293 PolarHBondContact O-N 2.8Å; S290-I294 WeakPolarHBondContact O-CB 3.47Å; S290-I294 WeakPolarHBondContact O-CD1 3.25Å; S290-I294 WeakPolarHBondContact O-CG1 3.2Å; S290-I294 PolarHBondContact O-N 3.5Å
291A98.7Very high98.1Very high3 Ų345.7 Ų45.73%0.02525%0.25CS..Hα-helixtrans-59.5-47.7177.800000112V265 I268 L269 T287 M288 I289 L293 I294 A295V265-A291 HydrophobicContact CB-CB 4.4Å; V265-A291 HydrophobicContact CG1-CB 4.03Å; V265-A291 HydrophobicContact CG2-CB 4.2Å; I268-A291 HydrophobicContact CB-CB 4.44Å; I268-A291 HydrophobicContact CG2-CB 4.11Å; I268-A291 WeakPolarHBondContact CG2-O 3.38Å; L269-A291 HydrophobicContact CD2-CB 4.37Å; L269-A291 HydrophobicContact CG-CB 4.38Å; T287-A291 PolarHBondContact O-N 2.8Å; M288-A291 PolarHBondContact O-N 3Å; I289-A291 PolarHBondContact O-N 3.45Å; A291-L293 PolarHBondContact O-N 2.9Å; A291-I294 PolarHBondContact O-N 2.76Å; A291-A295 PolarHBondContact O-N 3.31Å
292I98.8Very high98.2Very high2 Ų244 Ų441%0.0124%0.244CC..Hα-helixtrans-59.5-46.4176.9-69.9167.7000111I268 I277 M288 I289 S290 I294 A295 V296 V302 I304 F326 V331I268-I292 HydrophobicContact CD1-CG1 4.11Å; I277-I292 HydrophobicContact CD1-CD1 4.47Å; M288-I292 HydrophobicContact CG-CD1 4.05Å; M288-I292 WeakPolarHBondContact O-CG1 3.45Å; M288-I292 PolarHBondContact O-N 3.22Å; M288-I292 HydrophobicContact SD-CD1 4.33Å; M288-I292 HydrophobicContact SD-CG1 4.44Å; I289-I292 PolarHBondContact O-N 2.75Å; S290-I292 PolarHBondContact O-N 3.15Å; I292-I294 PolarHBondContact O-N 2.86Å; I292-A295 WeakPolarHBondContact O-CB 3.11Å; I292-A295 PolarHBondContact O-N 2.89Å; I292-V296 WeakPolarHBondContact O-CG2 3.48Å; I292-V296 PolarHBondContact O-N 2.82Å; I292-V296 VanDerWaalsContact O-N 3.08Å; I292-V302 HydrophobicContact CG2-CG1 4.21Å; I292-I304 HydrophobicContact CD1-CD1 4.36Å; I292-F326 HydrophobicContact CB-CE1 3.94Å; I292-F326 HydrophobicContact CB-CZ 4.49Å; I292-F326 HydrophobicContact CD1-CE1 4.12Å; I292-F326 HydrophobicContact CD1-CZ 3.82Å; I292-F326 HydrophobicContact CG2-CD1 3.79Å; I292-F326 HydrophobicContact CG2-CE1 3.55Å; I292-F326 HydrophobicContact CG2-CZ 4.33Å; I292-V331 HydrophobicContact CG2-CG2 3.9Å
293L98.7Very high98.2Very high34 Ų3445.8 Ų45.818%0.17825%0.25CS..Hα-helixtrans-69.6-32.4-179-66.8-176.4000113I289 S290 A291 R297 Y325 F326 R329I289-L293 HydrophobicContact CG2-CD1 3.85Å; I289-L293 HydrophobicContact CG2-CG 4.24Å; I289-L293 WeakPolarHBondContact O-CB 3.19Å; I289-L293 VanDerWaalsContact O-CG 3.26Å; I289-L293 WeakPolarHBondContact O-CG 3.31Å; I289-L293 PolarHBondContact O-N 2.5Å; S290-L293 PolarHBondContact O-N 2.8Å; A291-L293 PolarHBondContact O-N 2.9Å; L293-R297 VanDerWaalsContact O-CB 3.26Å; L293-R297 WeakPolarHBondContact O-CB 3.49Å; L293-R297 VanDerWaalsContact O-CG 3.23Å; L293-R297 WeakPolarHBondContact O-CG 3.34Å; L293-R297 PolarHBondContact O-N 3.5Å; L293-Y325 HydrophobicContact CD1-CE1 4.08Å; L293-F326 HydrophobicContact CD2-CD1 4.09Å; L293-F326 HydrophobicContact CD2-CE1 4.34Å; L293-F326 HydrophobicContact CG-CE1 4.48Å; L293-R329 HydrophobicContact CD2-CB 3.64Å; L293-R329 HydrophobicContact CD2-CG 4.2Å
294I98.7Very high98.3Very high88 Ų8845.8 Ų45.845%0.45125%0.25SS..Hα-helixtrans-63.4-44.4172.2-72.3163.6000110L269 S290 A291 I292 R297 S298L269-I294 HydrophobicContact CD2-CB 4.12Å; L269-I294 HydrophobicContact CD2-CD1 4.19Å; L269-I294 HydrophobicContact CD2-CG2 3.78Å; S290-I294 WeakPolarHBondContact O-CB 3.47Å; S290-I294 WeakPolarHBondContact O-CD1 3.25Å; S290-I294 WeakPolarHBondContact O-CG1 3.2Å; S290-I294 PolarHBondContact O-N 3.5Å; A291-I294 PolarHBondContact O-N 2.76Å; I292-I294 PolarHBondContact O-N 2.86Å; I294-R297 PolarHBondContact O-N 3Å; I294-S298 WeakPolarHBondContact O-CB 3.4Å; I294-S298 PolarHBondContact O-N 2.98Å; I294-S298 PolarHBondContact O-OG 2.94Å
295A98.7Very high98.3Very high2 Ų245.7 Ų45.72%0.01725%0.25CC..Hα-helixtrans-59.1-50.3176.600000111.2I268 V275 A291 I292 R297 S298 G299 I300 V302I268-A295 HydrophobicContact CG2-CB 3.91Å; V275-A295 HydrophobicContact CG2-CB 4.45Å; A291-A295 PolarHBondContact O-N 3.31Å; I292-A295 WeakPolarHBondContact O-CB 3.11Å; I292-A295 PolarHBondContact O-N 2.89Å; A295-R297 VanDerWaalsContact C-N 3.34Å; A295-R297 PolarHBondContact O-N 3.4Å; A295-S298 WeakPolarHBondContact O-CA 3.32Å; A295-S298 WeakPolarHBondContact O-CB 3.34Å; A295-S298 PolarHBondContact O-N 3.46Å; A295-G299 PolarHBondContact O-N 3.49Å; A295-I300 HydrophobicContact CB-CB 4.34Å; A295-I300 HydrophobicContact CB-CD1 4.01Å; A295-I300 HydrophobicContact CB-CG2 4.49Å; A295-I300 VanDerWaalsContact O-CB 3.27Å; A295-I300 WeakPolarHBondContact O-CB 3.47Å; A295-I300 WeakPolarHBondContact O-CG1 3.21Å; A295-I300 PolarHBondContact O-N 3.41Å; A295-V302 HydrophobicContact CB-CG2 3.91Å
296V98.4Very high98.5Very high27 Ų2744.7 Ų44.716%0.16425%0.245CC..Hα-helixtrans-58.6-44.8176.9179.60000112I292 S298 G299 V302 R329 V331I292-V296 WeakPolarHBondContact O-CG2 3.48Å; I292-V296 PolarHBondContact O-N 2.82Å; I292-V296 VanDerWaalsContact O-N 3.08Å; V296-S298 PolarHBondContact O-N 3.3Å; V296-G299 PolarHBondContact O-N 3.27Å; V296-V302 HydrophobicContact CB-CG2 4.45Å; V296-V302 HydrophobicContact CG2-CB 3.75Å; V296-V302 HydrophobicContact CG2-CG1 4.45Å; V296-V302 HydrophobicContact CG2-CG2 3.5Å; V296-R329 WeakPolarHBondContact CG1-O 3.45Å; V296-V331 HydrophobicContact CG2-CG2 3.55Å
297R98.2Very high98.5Very high229 Ų22936.9 Ų36.986%0.86421%0.208SC*.Hα-helixtrans-62.1-26177.3-81.3-94.5155.2101.5-8113L293 I294 A295 G299L293-R297 VanDerWaalsContact O-CB 3.26Å; L293-R297 WeakPolarHBondContact O-CB 3.49Å; L293-R297 VanDerWaalsContact O-CG 3.23Å; L293-R297 WeakPolarHBondContact O-CG 3.34Å; L293-R297 PolarHBondContact O-N 3.5Å; I294-R297 PolarHBondContact O-N 3Å; A295-R297 VanDerWaalsContact C-N 3.34Å; A295-R297 PolarHBondContact O-N 3.4Å; R297-G299 PolarHBondContact O-N 3.26Å
298S98.3Very high98.4Very high84 Ų8436.4 Ų36.459%0.58720%0.203SC*.THydrogen-bonded Turntrans-82.72.1176.8-53.90000113I294 A295 V296I294-S298 WeakPolarHBondContact O-CB 3.4Å; I294-S298 PolarHBondContact O-N 2.98Å; I294-S298 PolarHBondContact O-OG 2.94Å; A295-S298 WeakPolarHBondContact O-CA 3.32Å; A295-S298 WeakPolarHBondContact O-CB 3.34Å; A295-S298 PolarHBondContact O-N 3.46Å; V296-S298 PolarHBondContact O-N 3.3Å
299G98.3Very high98.2Very high71 Ų7138.6 Ų38.673%0.73221%0.214SC*.THydrogen-bonded Turntrans85.110.517900000114.5A295 V296 R297A295-G299 PolarHBondContact O-N 3.49Å; V296-G299 PolarHBondContact O-N 3.27Å; R297-G299 PolarHBondContact O-N 3.26Å
300I98.6Very high98Very high14 Ų1439.8 Ų39.87%0.07222%0.223CC..  trans-76.5140.1-178.3-58.7177.3000110A271 V275 A295 V302A271-I300 HydrophobicContact CB-CD1 3.78Å; A271-I300 HydrophobicContact CB-CG2 4.23Å; A271-I300 WeakPolarHBondContact O-CD1 3.22Å; V275-I300 HydrophobicContact CG2-CG2 4.02Å; A295-I300 HydrophobicContact CB-CB 4.34Å; A295-I300 HydrophobicContact CB-CD1 4.01Å; A295-I300 HydrophobicContact CB-CG2 4.49Å; A295-I300 VanDerWaalsContact O-CB 3.27Å; A295-I300 WeakPolarHBondContact O-CB 3.47Å; A295-I300 WeakPolarHBondContact O-CG1 3.21Å; A295-I300 PolarHBondContact O-N 3.41Å; I300-V302 HydrophobicContact CB-CG2 4.47Å; I300-V302 HydrophobicContact CG2-CG2 4.27Å; I300-V302 PolarHBondContact O-N 2.95Å
301D98.8Very high97.6Very high37 Ų3738.5 Ų38.520%0.19821%0.211CC..EExtended strand (participates in β ladder)trans-74.894.4174.9-177.138.5000110.8K273 S274 V275 W276 R303 K332K273-D301 PolarHBondContact O-N 3.35Å; S274-D301 WeakPolarHBondContact CA-O 3.45Å; V275-D301 PolarHBondContact N-O 3.33Å; W276-D301 PolarHBondContact NE1-O 3.03Å; W276-D301 PolarHBondContact NE1-OD2 3.07Å; D301-R303 IonicContact OD1-NE 2.75Å; D301-R303 PolarHBondContact OD1-NE 2.97Å; D301-R303 IonicContact OD2-CZ 3.95Å; D301-R303 IonicContact OD2-NE 3.49Å; D301-R303 PolarHBondContact OD2-NE 3.46Å; D301-R303 IonicContact OD2-NH2 3.94Å; D301-R303 PolarHBondContact OD2-NH2 2.92Å; D301-K332 WeakPolarHBondContact OD1-CE 3.46Å; D301-K332 IonicContact OD1-NZ 2.78Å; D301-K332 PolarHBondContact OD1-NZ 3.41Å; D301-K332 IonicContact OD2-NZ 3.92Å
302V98.9Very high97.1Very high1 Ų142.7 Ų42.71%0.00623%0.23CC..EExtended strand (participates in β ladder)trans-95123.7178.4-169.10000111V275 I292 A295 V296 I300 V331 K332V275-V302 HydrophobicContact CB-CG1 4.32Å; V275-V302 HydrophobicContact CB-CG2 4.3Å; V275-V302 HydrophobicContact CG1-CG1 4.41Å; V275-V302 VanDerWaalsContact O-CA 3.31Å; V275-V302 WeakPolarHBondContact O-CA 3.31Å; I292-V302 HydrophobicContact CG2-CG1 4.21Å; A295-V302 HydrophobicContact CB-CG2 3.91Å; V296-V302 HydrophobicContact CB-CG2 4.45Å; V296-V302 HydrophobicContact CG2-CB 3.75Å; V296-V302 HydrophobicContact CG2-CG1 4.45Å; V296-V302 HydrophobicContact CG2-CG2 3.5Å; I300-V302 HydrophobicContact CB-CG2 4.47Å; I300-V302 HydrophobicContact CG2-CG2 4.27Å; I300-V302 PolarHBondContact O-N 2.95Å; V302-V331 HydrophobicContact CB-CG1 4.39Å; V302-V331 HydrophobicContact CB-CG2 4.43Å; V302-V331 HydrophobicContact CG1-CG1 3.99Å; V302-V331 HydrophobicContact CG1-CG2 4.27Å; V302-K332 PolarHBondContact O-N 3.24Å
303R98.8Very high96.2Very high37 Ų3746.7 Ų46.714%0.1426%0.256CS..EExtended strand (participates in β ladder)trans-127135.8178.4-53.9-171.8-173-175.111.2110.3V275 W276 I277 D301 K332 Y334 F388 M392V275-R303 PolarHBondContact O-N 3.25Å; W276-R303 CarbonylContact C-O 3.58Å; W276-R303 WeakPolarHBondContact CA-O 3.32Å; W276-R303 HydrophobicContact CB-CB 4.38Å; W276-R303 HydrophobicContact CG-CB 4.01Å; W276-R303 HydrophobicContact CG-CG 4.23Å; I277-R303 PolarHBondContact N-O 3.22Å; D301-R303 IonicContact OD1-NE 2.75Å; D301-R303 PolarHBondContact OD1-NE 2.97Å; D301-R303 IonicContact OD2-CZ 3.95Å; D301-R303 IonicContact OD2-NE 3.49Å; D301-R303 PolarHBondContact OD2-NE 3.46Å; D301-R303 IonicContact OD2-NH2 3.94Å; D301-R303 PolarHBondContact OD2-NH2 2.92Å; R303-K332 CarbonylContact C-O 3.58Å; R303-K332 WeakPolarHBondContact CA-O 3.47Å; R303-K332 HydrophobicContact CG-CB 4.19Å; R303-K332 HydrophobicContact CG-CD 4.22Å; R303-Y334 HydrophobicContact CB-CD2 4.38Å; R303-Y334 HydrophobicContact CB-CE2 4.02Å; R303-Y334 HydrophobicContact CG-CE2 4.08Å; R303-F388 HydrophobicContact CB-CE1 4.07Å; R303-F388 HydrophobicContact CB-CZ 3.76Å; R303-M392 PolarHBondContact NH1-SD 2.91Å; R303-M392 VanDerWaalsContact NH1-SD 3.35Å
304I98.9Very high95.8Very high0 Ų049.4 Ų49.40%027%0.267CS..EExtended strand (participates in β ladder)trans-129.1127175.2-53.1178.8000108.9I277 L282 I292 I306 F326 V331 K332 I333 Y334I277-I304 HydrophobicContact CB-CG1 4.27Å; I277-I304 HydrophobicContact CB-CG2 4.42Å; I277-I304 CarbonylContact O-C 3.58Å; I277-I304 VanDerWaalsContact O-CA 3.31Å; I277-I304 WeakPolarHBondContact O-CA 3.17Å; L282-I304 HydrophobicContact CD1-CD1 4.07Å; L282-I304 HydrophobicContact CD1-CG2 4.12Å; L282-I304 HydrophobicContact CD2-CD1 4.3Å; L282-I304 HydrophobicContact CD2-CG2 4.04Å; I292-I304 HydrophobicContact CD1-CD1 4.36Å; I304-I306 HydrophobicContact CG2-CG2 4.06Å; I304-F326 HydrophobicContact CD1-CD2 4.41Å; I304-V331 HydrophobicContact CB-CG1 4.4Å; I304-V331 HydrophobicContact CD1-CG1 3.84Å; I304-V331 HydrophobicContact CG1-CG1 3.73Å; I304-K332 PolarHBondContact N-O 2.82Å; I304-I333 HydrophobicContact CB-CD1 3.83Å; I304-I333 HydrophobicContact CD1-CD1 4.32Å; I304-I333 HydrophobicContact CG1-CD1 4.36Å; I304-I333 CarbonylContact O-C 3.54Å; I304-I333 WeakPolarHBondContact O-CA 3.38Å; I304-Y334 PolarHBondContact O-N 3.09Å
305M98.9Very high95.6Very high0 Ų045.4 Ų45.40%025%0.246CC..EExtended strand (participates in β ladder)trans-106.9130.5175.8-161.7-172.9-71.200110.3I277 Q278 S279 Y334 Y336 L341 F388 D391 M392I277-M305 PolarHBondContact O-N 2.85Å; Q278-M305 HydrophobicContact CG-CB 4.1Å; Q278-M305 HydrophobicContact CG-SD 4.48Å; Q278-M305 PolarHBondContact NE2-SD 3.09Å; S279-M305 PolarHBondContact N-O 3.03Å; S279-M305 VanDerWaalsContact N-O 3.12Å; M305-Y334 CarbonylContact C-O 3.59Å; M305-Y334 VanDerWaalsContact CA-O 3.3Å; M305-Y334 WeakPolarHBondContact CA-O 3.45Å; M305-Y336 HydrophobicContact SD-CD2 4.05Å; M305-L341 HydrophobicContact CB-CD2 3.96Å; M305-L341 HydrophobicContact CG-CD2 3.63Å; M305-L341 WeakPolarHBondContact O-CD2 3.46Å; M305-L341 HydrophobicContact SD-CD1 4.23Å; M305-L341 HydrophobicContact SD-CD2 3.96Å; M305-F388 HydrophobicContact CB-CE2 3.94Å; M305-F388 HydrophobicContact CB-CZ 4.1Å; M305-F388 HydrophobicContact CE-CD1 4.21Å; M305-F388 HydrophobicContact CE-CD2 4.3Å; M305-F388 HydrophobicContact CE-CE1 4.02Å; M305-F388 HydrophobicContact CE-CE2 4.13Å; M305-F388 HydrophobicContact CE-CG 4.33Å; M305-F388 HydrophobicContact CE-CZ 3.97Å; M305-D391 HydrophobicContact CE-CB 3.7Å; M305-D391 HydrophobicContact SD-CB 3.69Å; M305-M392 HydrophobicContact CE-CB 4.05Å
306I98.6Very high95.5Very high0 Ų046.1 Ų46.10%025%0.249CC..EExtended strand (participates in β ladder)trans-137163.3-176.254.9169.8000110.7L282 I304 T319 A323 I333 Y334 H335 Y336L282-I306 HydrophobicContact CB-CG2 4.01Å; L282-I306 HydrophobicContact CD2-CG2 4.29Å; I304-I306 HydrophobicContact CG2-CG2 4.06Å; I306-T319 HydrophobicContact CB-CG2 4.13Å; I306-T319 HydrophobicContact CD1-CG2 3.74Å; I306-T319 HydrophobicContact CG2-CG2 4.13Å; I306-A323 HydrophobicContact CD1-CB 3.67Å; I306-I333 HydrophobicContact CD1-CG2 3.87Å; I306-I333 HydrophobicContact CG1-CG2 4.07Å; I306-Y334 PolarHBondContact N-O 3.42Å; I306-H335 WeakPolarHBondContact CD1-CE1 3.42Å; I306-H335 CarbonylContact O-C 3.38Å; I306-H335 WeakPolarHBondContact O-CA 3.4Å; I306-Y336 PolarHBondContact O-N 3.29Å
307P97.6Very high95.4Very high1 Ų147.8 Ų47.81%0.00625%0.252CS..EExtended strand (participates in β ladder)trans-59.9155.7174.8-2534.5000113.7P280 H335 F340 L341P280-P307 HydrophobicContact CB-CG 4.33Å; P280-P307 WeakPolarHBondContact O-CD 3.49Å; P307-H335 PolarHBondContact O-ND1 3.35Å; P307-F340 HydrophobicContact CB-CD2 3.99Å; P307-F340 HydrophobicContact CB-CE2 3.74Å; P307-F340 HydrophobicContact CB-CZ 4.5Å; P307-F340 HydrophobicContact CG-CD2 4.3Å; P307-F340 HydrophobicContact CG-CE2 3.76Å; P307-F340 HydrophobicContact CG-CZ 4.04Å; P307-L341 HydrophobicContact CG-CB 4.35Å; P307-L341 VanDerWaalsContact CG-O 3.29Å; P307-L341 WeakPolarHBondContact CG-O 3.43Å
308N95Very high95.4Very high53 Ų5336.9 Ų36.928%0.28321%0.211SC..SBendtrans-94-1.4167.275.8-9.7000114Y316 H335 Y336 A337N308-Y316 PolarHBondContact O-OH 3.08Å; N308-H335 HydrophobicContact CB-CB 4.23Å; N308-Y336 WeakPolarHBondContact CB-O 3.49Å; N308-Y336 PolarHBondContact N-O 2.74Å; N308-Y336 PolarHBondContact OD1-O 3.42Å; N308-A337 WeakPolarHBondContact ND2-CA 3.19Å
309M94.5Very high95.4Very high46 Ų4632.9 Ų32.923%0.22718%0.183CC..SBendtrans-143.9156.7-174.570.717978.800112.7F189 Y316 G339 F340F189-M309 HydrophobicContact CD1-SD 4.1Å; M309-Y316 WeakPolarHBondContact O-CD2 3.22Å; M309-G339 WeakPolarHBondContact CE-O 3.47Å; M309-F340 HydrophobicContact CG-CD2 3.91Å
310P93.5Very high95.3Very high45 Ų4530.5 Ų30.529%0.29215%0.153SC..  trans-84.6137.7179.532.1-33.8000113.3R188 Y316R188-P310 PolarHBondContact NH2-O 3.16Å; P310-Y316 HydrophobicContact CB-CD1 3.78Å; P310-Y316 HydrophobicContact CB-CG 3.71Å; P310-Y316 HydrophobicContact CG-CD1 4.21Å
311D91.4Very high95.3Very high34 Ų3432.4 Ų32.418%0.18216%0.16CC..SBendtrans-95.5-35.5160.164-24.7000111.7R188 F189 Y281 F340R188-D311 VanDerWaalsContact NH2-C 3.33Å; R188-D311 VanDerWaalsContact NH2-CA 3.29Å; R188-D311 PolarHBondContact NH2-O 2.81Å; F189-D311 HydrophobicContact CE1-CB 3.92Å; F189-D311 HydrophobicContact CZ-CB 3.95Å; Y281-D311 WeakPolarHBondContact CE1-OD1 3.5Å; Y281-D311 WeakPolarHBondContact CE1-OD2 3.17Å; Y281-D311 PolarHBondContact OH-OD2 3.15Å; D311-F340 HydrophobicContact CB-CE1 4.45Å; D311-F340 HydrophobicContact CB-CE2 3.96Å; D311-F340 HydrophobicContact CB-CZ 3.73Å
312H86.8Confident95.3Very high92 Ų9231.7 Ų31.743%0.42615%0.154SC..SBendtrans-125.1142.3175.9-168-93.8000112.3F314 I315H312-F314 PolarHBondContact O-N 3.06Å; H312-I315 HydrophobicContact CB-CG2 3.7Å
313P80.2Confident95.3Very high86 Ų8631.7 Ų31.756%0.55815%0.154SC*.THydrogen-bonded Turntrans-61.8-35.9-165.819.6-34.4000116
314F91.5Very high95.2Very high90 Ų9030.5 Ų30.540%0.39515%0.151SC..THydrogen-bonded Turntrans-98.4-37.7-174.2-62.3-69.3000113.5H312 Y316 R317 A318 F416 S417 L420 L424H312-F314 PolarHBondContact O-N 3.06Å; F314-Y316 PolarHBondContact O-N 2.8Å; F314-R317 PolarHBondContact O-N 2.86Å; F314-A318 PolarHBondContact O-N 2.78Å; F314-F416 HydrophobicContact CE1-CE1 4.35Å; F314-S417 WeakPolarHBondContact O-CB 3.47Å; F314-S417 PolarHBondContact O-OG 3.14Å; F314-L420 HydrophobicContact CB-CD1 4.36Å; F314-L420 HydrophobicContact CD1-CD1 3.88Å; F314-L420 HydrophobicContact CE1-CD1 4.31Å; F314-L420 HydrophobicContact CG-CD1 4.03Å; F314-L424 HydrophobicContact CB-CD1 4.49Å; F314-L424 HydrophobicContact CB-CD2 3.45Å; F314-L424 VanDerWaalsContact CB-CD2 3.45Å; F314-L424 HydrophobicContact CG-CD2 4.47Å
315I94Very high95.2Very high5 Ų533.2 Ų33.23%0.02616%0.161CC..Hα-helixtrans-62.9-43.6-173.2-160161.4000111.6Y281 V283 H312 R317 A318 T319Y281-I315 HydrophobicContact CD1-CB 4.49Å; Y281-I315 HydrophobicContact CD1-CD1 3.5Å; Y281-I315 VanDerWaalsContact CD1-CD1 3.5Å; Y281-I315 HydrophobicContact CD1-CG1 3.78Å; Y281-I315 HydrophobicContact CD1-CG2 3.89Å; Y281-I315 HydrophobicContact CD2-CD1 3.57Å; Y281-I315 HydrophobicContact CE1-CD1 3.94Å; Y281-I315 HydrophobicContact CE1-CG1 4.4Å; Y281-I315 HydrophobicContact CE1-CG2 3.81Å; Y281-I315 HydrophobicContact CE2-CD1 3.98Å; Y281-I315 HydrophobicContact CG-CD1 3.32Å; Y281-I315 HydrophobicContact CG-CG1 3.93Å; V283-I315 HydrophobicContact CG2-CG1 4.38Å; H312-I315 HydrophobicContact CB-CG2 3.7Å; I315-R317 PolarHBondContact O-N 3.26Å; I315-A318 WeakPolarHBondContact O-CB 3.43Å; I315-A318 PolarHBondContact O-N 2.85Å; I315-T319 PolarHBondContact O-N 2.75Å; I315-T319 PolarHBondContact O-OG1 3.01Å
316Y95.9Very high95.2Very high16 Ų1633.2 Ų33.26%0.06316%0.161CC..Hα-helixtrans-60.6-34.9179.3-178.7-110.6000112.6N308 M309 P310 F314 T319 Q320N308-Y316 PolarHBondContact O-OH 3.08Å; M309-Y316 WeakPolarHBondContact O-CD2 3.22Å; P310-Y316 HydrophobicContact CB-CD1 3.78Å; P310-Y316 HydrophobicContact CB-CG 3.71Å; P310-Y316 HydrophobicContact CG-CD1 4.21Å; F314-Y316 PolarHBondContact O-N 2.8Å; Y316-T319 WeakPolarHBondContact O-CB 3.33Å; Y316-T319 PolarHBondContact O-N 2.93Å; Y316-Q320 HydrophobicContact CE1-CG 4.1Å; Y316-Q320 HydrophobicContact CE2-CG 4.41Å; Y316-Q320 WeakPolarHBondContact O-CG 3.33Å; Y316-Q320 PolarHBondContact O-N 2.88Å; Y316-Q320 PolarHBondContact OH-NE2 3.47Å
317R97.1Very high95.2Very high62 Ų6234.7 Ų34.723%0.23417%0.168CC..Hα-helixtrans-74.9-32177.4-55.6-55.5173.9-158.7-5.6112.2F314 I315 Q320 Y321 K413 S417F314-R317 PolarHBondContact O-N 2.86Å; I315-R317 PolarHBondContact O-N 3.26Å; R317-Q320 VanDerWaalsContact CD-OE1 3.27Å; R317-Y321 PolarHBondContact O-N 2.85Å; R317-Y321 VanDerWaalsContact O-N 3.1Å; R317-K413 HydrophobicContact CG-CB 4.41Å; R317-S417 WeakPolarHBondContact CB-OG 3.34Å
318A97.5Very high95.3Very high0 Ų040.6 Ų40.60%020%0.196CC..Hα-helixtrans-67.4-45.3169.800000110.8V283 F314 I315 Q320 Y321 Y322 L424V283-A318 HydrophobicContact CG1-CB 4.45Å; V283-A318 HydrophobicContact CG2-CB 3.67Å; F314-A318 PolarHBondContact O-N 2.78Å; I315-A318 WeakPolarHBondContact O-CB 3.43Å; I315-A318 PolarHBondContact O-N 2.85Å; A318-Q320 VanDerWaalsContact C-N 3.3Å; A318-Q320 PolarHBondContact O-N 3.3Å; A318-Y321 WeakPolarHBondContact O-CA 3.29Å; A318-Y321 VanDerWaalsContact O-CB 3.29Å; A318-Y321 WeakPolarHBondContact O-CB 3.44Å; A318-Y321 PolarHBondContact O-N 2.98Å; A318-Y322 VanDerWaalsContact O-CD2 3.25Å; A318-Y322 WeakPolarHBondContact O-CD2 3.46Å; A318-Y322 PolarHBondContact O-N 3.15Å; A318-L424 HydrophobicContact CB-CD1 3.61Å
319T97.8Very high95.4Very high1 Ų143.2 Ų43.21%0.00620%0.201CC..Hα-helixtrans-51.9-47.4171.9-66.20000111.6L282 I306 I315 Y316 Y321 Y322 A323L282-T319 HydrophobicContact CB-CG2 4Å; L282-T319 PolarHBondContact N-OG1 3.23Å; L282-T319 VanDerWaalsContact N-OG1 3.14Å; L282-T319 WeakPolarHBondContact O-CA 3.33Å; I306-T319 HydrophobicContact CB-CG2 4.13Å; I306-T319 HydrophobicContact CD1-CG2 3.74Å; I306-T319 HydrophobicContact CG2-CG2 4.13Å; I315-T319 PolarHBondContact O-N 2.75Å; I315-T319 PolarHBondContact O-OG1 3.01Å; Y316-T319 WeakPolarHBondContact O-CB 3.33Å; Y316-T319 PolarHBondContact O-N 2.93Å; T319-Y321 VanDerWaalsContact C-N 3.33Å; T319-Y321 PolarHBondContact O-N 3.45Å; T319-Y322 PolarHBondContact O-N 3.5Å; T319-A323 VanDerWaalsContact O-CB 3.23Å; T319-A323 WeakPolarHBondContact O-CB 3.48Å; T319-A323 PolarHBondContact O-N 2.87Å
320Q97.5Very high95.6Very high21 Ų2143.4 Ų43.410%0.09822%0.216CC..Hα-helixtrans-63.1-36.6176-72.4-176.4-55.400113.2Y316 R317 A318 N324 Q414Y316-Q320 HydrophobicContact CE1-CG 4.1Å; Y316-Q320 HydrophobicContact CE2-CG 4.41Å; Y316-Q320 WeakPolarHBondContact O-CG 3.33Å; Y316-Q320 PolarHBondContact O-N 2.88Å; Y316-Q320 PolarHBondContact OH-NE2 3.47Å; R317-Q320 VanDerWaalsContact CD-OE1 3.27Å; A318-Q320 VanDerWaalsContact C-N 3.3Å; A318-Q320 PolarHBondContact O-N 3.3Å; Q320-N324 VanDerWaalsContact O-CG 3.25Å; Q320-N324 PolarHBondContact O-N 3.43Å; Q320-N324 PolarHBondContact O-OD1 3.34Å; Q320-Q414 HydrophobicContact CB-CG 4.1Å
321Y98Very high95.9Very high54 Ų5441.4 Ų41.421%0.21220%0.202CC..Hα-helixtrans-60.9-51.9174.8174.3-89.3000111.3R317 A318 T319 A323 N324 Y325 R415 R418R317-Y321 PolarHBondContact O-N 2.85Å; R317-Y321 VanDerWaalsContact O-N 3.1Å; A318-Y321 WeakPolarHBondContact O-CA 3.29Å; A318-Y321 VanDerWaalsContact O-CB 3.29Å; A318-Y321 WeakPolarHBondContact O-CB 3.44Å; A318-Y321 PolarHBondContact O-N 2.98Å; T319-Y321 VanDerWaalsContact C-N 3.33Å; T319-Y321 PolarHBondContact O-N 3.45Å; Y321-A323 VanDerWaalsContact C-N 3.35Å; Y321-N324 PolarHBondContact O-N 3.41Å; Y321-Y325 PolarHBondContact O-N 3.15Å; Y321-R415 HydrophobicContact CE2-CG 4.46Å; Y321-R418 HydrophobicContact CD1-CB 4.12Å; Y321-R418 HydrophobicContact CD1-CG 3.74Å; Y321-R418 HydrophobicContact CE1-CB 4.47Å; Y321-R418 HydrophobicContact CE1-CG 3.73Å; Y321-R418 HydrophobicContact CG-CB 4.16Å; Y321-R418 HydrophobicContact CG-CG 4.27Å; Y321-R418 WeakPolarHBondContact OH-CD 3.39Å
322Y98.5Very high96.2Very high22 Ų2243.7 Ų43.79%0.08621%0.211CC..Hα-helixtrans-69.4-34.3-178.6-71.4-76.1000111.9L282 V283 I289 A318 T319 N324 Y325 F326 R418 S421L282-Y322 VanDerWaalsContact O-CB 3.31Å; L282-Y322 WeakPolarHBondContact O-CB 3.29Å; L282-Y322 WeakPolarHBondContact O-CD2 3.4Å; V283-Y322 HydrophobicContact CB-CD2 4.4Å; V283-Y322 HydrophobicContact CB-CE2 4.33Å; V283-Y322 HydrophobicContact CG1-CD2 4.34Å; V283-Y322 HydrophobicContact CG1-CE2 3.79Å; V283-Y322 HydrophobicContact CG2-CD2 4.37Å; I289-Y322 HydrophobicContact CD1-CD1 4.23Å; I289-Y322 HydrophobicContact CD1-CE1 3.85Å; A318-Y322 VanDerWaalsContact O-CD2 3.25Å; A318-Y322 WeakPolarHBondContact O-CD2 3.46Å; A318-Y322 PolarHBondContact O-N 3.15Å; T319-Y322 PolarHBondContact O-N 3.5Å; Y322-N324 PolarHBondContact O-N 2.91Å; Y322-Y325 WeakPolarHBondContact O-CB 3.35Å; Y322-Y325 PolarHBondContact O-N 3.37Å; Y322-Y325 VanDerWaalsContact O-N 3.16Å; Y322-F326 WeakPolarHBondContact O-CB 3.3Å; Y322-F326 WeakPolarHBondContact O-CD2 3.22Å; Y322-F326 PolarHBondContact O-N 2.94Å; Y322-R418 HydrophobicContact CE2-CG 4.37Å; Y322-S421 WeakPolarHBondContact CE2-OG 3.21Å; Y322-S421 PolarHBondContact OH-OG 3.45Å
323A98.6Very high96.8Very high0 Ų039.3 Ų39.30%019%0.19CC..Hα-helixtrans-54.4-52.6169.800000111.7I306 T319 Y321 Y325 F326 H327 I333 L398I306-A323 HydrophobicContact CD1-CB 3.67Å; T319-A323 VanDerWaalsContact O-CB 3.23Å; T319-A323 WeakPolarHBondContact O-CB 3.48Å; T319-A323 PolarHBondContact O-N 2.87Å; Y321-A323 VanDerWaalsContact C-N 3.35Å; A323-Y325 VanDerWaalsContact C-N 3.29Å; A323-Y325 PolarHBondContact O-N 3.27Å; A323-F326 PolarHBondContact O-N 3.46Å; A323-H327 VanDerWaalsContact O-CB 3.29Å; A323-H327 WeakPolarHBondContact O-CB 3.23Å; A323-H327 PolarHBondContact O-N 3Å; A323-I333 HydrophobicContact CB-CG2 3.99Å; A323-L398 HydrophobicContact CB-CD2 4.22Å
324N98.5Very high97.7Very high13 Ų1336.4 Ų36.47%0.0717%0.168CC..Hα-helixtrans-58.9-42.4175.7-68.4-8.1000111.4Q320 Y321 Y322 Q328 I403 Q406 Q414Q320-N324 VanDerWaalsContact O-CG 3.25Å; Q320-N324 PolarHBondContact O-N 3.43Å; Q320-N324 PolarHBondContact O-OD1 3.34Å; Y321-N324 PolarHBondContact O-N 3.41Å; Y322-N324 PolarHBondContact O-N 2.91Å; N324-Q328 WeakPolarHBondContact O-CB 3.26Å; N324-Q328 VanDerWaalsContact O-CG 3.28Å; N324-Q328 WeakPolarHBondContact O-CG 3.21Å; N324-Q328 PolarHBondContact O-N 3Å; N324-Q328 VanDerWaalsContact O-N 3.12Å; N324-I403 HydrophobicContact CB-CD1 4.12Å; N324-Q406 PolarHBondContact ND2-OE1 3.29Å; N324-Q406 PolarHBondContact OD1-NE2 2.85Å; N324-Q414 PolarHBondContact ND2-OE1 2.71Å
325Y98.5Very high98Very high56 Ų5633.1 Ų33.122%0.2215%0.154CC..Hα-helixtrans-61.2-44.6179.7174.3-85.6000112.7I289 L293 Y321 Y322 A323 R329I289-Y325 HydrophobicContact CG2-CE1 3.81Å; L293-Y325 HydrophobicContact CD1-CE1 4.08Å; Y321-Y325 PolarHBondContact O-N 3.15Å; Y322-Y325 WeakPolarHBondContact O-CB 3.35Å; Y322-Y325 PolarHBondContact O-N 3.37Å; Y322-Y325 VanDerWaalsContact O-N 3.16Å; A323-Y325 VanDerWaalsContact C-N 3.29Å; A323-Y325 PolarHBondContact O-N 3.27Å; Y325-R329 VanDerWaalsContact CZ-CZ 3.47Å; Y325-R329 VanDerWaalsContact CZ-NE 3.25Å; Y325-R329 WeakPolarHBondContact O-CD 3.45Å; Y325-R329 PolarHBondContact O-NH1 3.02Å; Y325-R329 PolarHBondContact OH-NE 3.37Å
326F98.8Very high98.2Very high0 Ų032.9 Ų32.90%015%0.153CC..Hα-helixtrans-73.3-41.6179.5-78.1-57.4000112.1L282 P284 I289 I292 L293 I304 Y322 A323 Q328 R329 G330 V331 I333L282-F326 HydrophobicContact CD1-CE2 4.07Å; L282-F326 HydrophobicContact CD2-CD2 3.86Å; L282-F326 HydrophobicContact CD2-CE2 4.19Å; L282-F326 HydrophobicContact CG-CD2 4.32Å; L282-F326 HydrophobicContact CG-CE2 4.14Å; P284-F326 HydrophobicContact CG-CE2 3.72Å; P284-F326 HydrophobicContact CG-CZ 3.75Å; I289-F326 HydrophobicContact CB-CZ 4.35Å; I289-F326 HydrophobicContact CG1-CE1 4.41Å; I289-F326 HydrophobicContact CG1-CZ 3.82Å; I289-F326 HydrophobicContact CG2-CE1 4.24Å; I289-F326 HydrophobicContact CG2-CZ 4.46Å; I292-F326 HydrophobicContact CB-CE1 3.94Å; I292-F326 HydrophobicContact CB-CZ 4.49Å; I292-F326 HydrophobicContact CD1-CE1 4.12Å; I292-F326 HydrophobicContact CD1-CZ 3.82Å; I292-F326 HydrophobicContact CG2-CD1 3.79Å; I292-F326 HydrophobicContact CG2-CE1 3.55Å; I292-F326 HydrophobicContact CG2-CZ 4.33Å; L293-F326 HydrophobicContact CD2-CD1 4.09Å; L293-F326 HydrophobicContact CD2-CE1 4.34Å; L293-F326 HydrophobicContact CG-CE1 4.48Å; I304-F326 HydrophobicContact CD1-CD2 4.41Å; Y322-F326 WeakPolarHBondContact O-CB 3.3Å; Y322-F326 WeakPolarHBondContact O-CD2 3.22Å; Y322-F326 PolarHBondContact O-N 2.94Å; A323-F326 PolarHBondContact O-N 3.46Å; F326-Q328 VanDerWaalsContact C-N 3.34Å; F326-Q328 PolarHBondContact O-N 2.64Å; F326-R329 CarbonylContact O-C 3.59Å; F326-R329 WeakPolarHBondContact O-CA 3.46Å; F326-R329 PolarHBondContact O-N 3Å; F326-G330 PolarHBondContact O-N 3.01Å; F326-V331 HydrophobicContact CB-CB 3.86Å; F326-V331 HydrophobicContact CB-CG1 4.36Å; F326-V331 HydrophobicContact CB-CG2 3.84Å; F326-V331 HydrophobicContact CD1-CG2 4.02Å; F326-V331 HydrophobicContact CG-CG2 4.28Å; F326-V331 WeakPolarHBondContact O-CB 3.29Å; F326-V331 PolarHBondContact O-N 3.14Å; F326-V331 VanDerWaalsContact O-N 3.14Å; F326-I333 HydrophobicContact CB-CD1 4.1Å
327H98.7Very high98.3Very high32 Ų3234.1 Ų34.115%0.14817%0.167CC..Hα-helixtrans-54.3-50174.8171.480.3000111.8A323 R329 G330 V331 I333 L398 D400 I403A323-H327 VanDerWaalsContact O-CB 3.29Å; A323-H327 WeakPolarHBondContact O-CB 3.23Å; A323-H327 PolarHBondContact O-N 3Å; H327-R329 PolarHBondContact O-N 3.41Å; H327-G330 PolarHBondContact O-N 3.21Å; H327-V331 WeakPolarHBondContact CA-O 3.45Å; H327-I333 HydrophobicContact CB-CG1 4.03Å; H327-L398 HydrophobicContact CB-CD2 3.83Å; H327-L398 HydrophobicContact CB-CG 4.39Å; H327-L398 PolarHBondContact CE1-O 2.99Å; H327-L398 PolarHBondContact ND1-O 3.07Å; H327-D400 IonicContact CD2-OD1 3.86Å; H327-D400 PolarHBondContact CD2-OD1 3.22Å; H327-D400 IonicContact CE1-OD1 3.48Å; H327-D400 PolarHBondContact NE2-N 3.33Å; H327-D400 IonicContact NE2-OD1 3.15Å; H327-D400 PolarHBondContact NE2-OD1 3Å; H327-I403 HydrophobicContact CB-CD1 4.21Å; H327-I403 WeakPolarHBondContact CD2-CD1 3.42Å
328Q98.3Very high98.2Very high125 Ų12533.9 Ų33.958%0.58417%0.17SC*.THydrogen-bonded Turntrans-61.7-10.2177.3-72.3176.5-16.700114N324 F326N324-Q328 WeakPolarHBondContact O-CB 3.26Å; N324-Q328 VanDerWaalsContact O-CG 3.28Å; N324-Q328 WeakPolarHBondContact O-CG 3.21Å; N324-Q328 PolarHBondContact O-N 3Å; N324-Q328 VanDerWaalsContact O-N 3.12Å; F326-Q328 VanDerWaalsContact C-N 3.34Å; F326-Q328 PolarHBondContact O-N 2.64Å
329R98.6Very high98Very high107 Ų10734.4 Ų34.440%0.40418%0.175SC..THydrogen-bonded Turntrans-113.29.2-179.4-71.2168.4177.664.46.7113.2L293 V296 Y325 F326 H327L293-R329 HydrophobicContact CD2-CB 3.64Å; L293-R329 HydrophobicContact CD2-CG 4.2Å; V296-R329 WeakPolarHBondContact CG1-O 3.45Å; Y325-R329 VanDerWaalsContact CZ-CZ 3.47Å; Y325-R329 VanDerWaalsContact CZ-NE 3.25Å; Y325-R329 WeakPolarHBondContact O-CD 3.45Å; Y325-R329 PolarHBondContact O-NH1 3.02Å; Y325-R329 PolarHBondContact OH-NE 3.37Å; F326-R329 CarbonylContact O-C 3.59Å; F326-R329 WeakPolarHBondContact O-CA 3.46Å; F326-R329 PolarHBondContact O-N 3Å; H327-R329 PolarHBondContact O-N 3.41Å
330G98.4Very high98Very high51 Ų5134.3 Ų34.353%0.52618%0.175SC..THydrogen-bonded Turntrans100.63.7171.900000115.4F326 H327F326-G330 PolarHBondContact O-N 3.01Å; H327-G330 PolarHBondContact O-N 3.21Å
331V98.8Very high98Very high2 Ų233.3 Ų33.31%0.01217%0.17CC..PPolyproline II helixtrans-78.3133.6171.5-177.40000109.5I292 V296 V302 I304 F326 H327 I333I292-V331 HydrophobicContact CG2-CG2 3.9Å; V296-V331 HydrophobicContact CG2-CG2 3.55Å; V302-V331 HydrophobicContact CB-CG1 4.39Å; V302-V331 HydrophobicContact CB-CG2 4.43Å; V302-V331 HydrophobicContact CG1-CG1 3.99Å; V302-V331 HydrophobicContact CG1-CG2 4.27Å; I304-V331 HydrophobicContact CB-CG1 4.4Å; I304-V331 HydrophobicContact CD1-CG1 3.84Å; I304-V331 HydrophobicContact CG1-CG1 3.73Å; F326-V331 HydrophobicContact CB-CB 3.86Å; F326-V331 HydrophobicContact CB-CG1 4.36Å; F326-V331 HydrophobicContact CB-CG2 3.84Å; F326-V331 HydrophobicContact CD1-CG2 4.02Å; F326-V331 HydrophobicContact CG-CG2 4.28Å; F326-V331 WeakPolarHBondContact O-CB 3.29Å; F326-V331 PolarHBondContact O-N 3.14Å; F326-V331 VanDerWaalsContact O-N 3.14Å; H327-V331 WeakPolarHBondContact CA-O 3.45Å; V331-I333 HydrophobicContact CB-CD1 4.28Å; V331-I333 HydrophobicContact CG1-CD1 3.67Å; V331-I333 PolarHBondContact O-N 3.48Å
332K98.9Very high98Very high82 Ų8231.1 Ų31.136%0.35716%0.162SC..EExtended strand (participates in β ladder)trans-81.2116.6172.6-63.1168.6-175.21600109.6D301 V302 R303 I304 Y334 L397D301-K332 WeakPolarHBondContact OD1-CE 3.46Å; D301-K332 IonicContact OD1-NZ 2.78Å; D301-K332 PolarHBondContact OD1-NZ 3.41Å; D301-K332 IonicContact OD2-NZ 3.92Å; V302-K332 PolarHBondContact O-N 3.24Å; R303-K332 CarbonylContact C-O 3.58Å; R303-K332 WeakPolarHBondContact CA-O 3.47Å; R303-K332 HydrophobicContact CG-CB 4.19Å; R303-K332 HydrophobicContact CG-CD 4.22Å; I304-K332 PolarHBondContact N-O 2.82Å; K332-Y334 HydrophobicContact CB-CD2 4.46Å; K332-Y334 HydrophobicContact CB-CE2 3.67Å; K332-L397 HydrophobicContact CB-CD1 4.28Å
333I98.9Very high97.9Very high0 Ų030.1 Ų30.10%016%0.158CC..EExtended strand (participates in β ladder)trans-103125.5180-54.1-62.5000110.7I304 I306 A323 F326 H327 V331 L397 L398I304-I333 HydrophobicContact CB-CD1 3.83Å; I304-I333 HydrophobicContact CD1-CD1 4.32Å; I304-I333 HydrophobicContact CG1-CD1 4.36Å; I304-I333 CarbonylContact O-C 3.54Å; I304-I333 WeakPolarHBondContact O-CA 3.38Å; I306-I333 HydrophobicContact CD1-CG2 3.87Å; I306-I333 HydrophobicContact CG1-CG2 4.07Å; A323-I333 HydrophobicContact CB-CG2 3.99Å; F326-I333 HydrophobicContact CB-CD1 4.1Å; H327-I333 HydrophobicContact CB-CG1 4.03Å; V331-I333 HydrophobicContact CB-CD1 4.28Å; V331-I333 HydrophobicContact CG1-CD1 3.67Å; V331-I333 PolarHBondContact O-N 3.48Å; I333-L397 WeakPolarHBondContact O-CD1 3.37Å; I333-L398 HydrophobicContact CB-CB 3.87Å; I333-L398 HydrophobicContact CB-CD2 4.01Å; I333-L398 HydrophobicContact CG1-CD2 4.29Å; I333-L398 HydrophobicContact CG2-CB 4.28Å; I333-L398 HydrophobicContact CG2-CD2 4.17Å; I333-L398 PolarHBondContact O-N 3.14Å
334Y98.8Very high97.9Very high25 Ų2530.5 Ų30.510%0.09816%0.159CC..EExtended strand (participates in β ladder)trans-112.2120.7179.9-66.1-90.3000110.2R303 I304 M305 I306 K332 M392 C395 L397R303-Y334 HydrophobicContact CB-CD2 4.38Å; R303-Y334 HydrophobicContact CB-CE2 4.02Å; R303-Y334 HydrophobicContact CG-CE2 4.08Å; I304-Y334 PolarHBondContact O-N 3.09Å; M305-Y334 CarbonylContact C-O 3.59Å; M305-Y334 VanDerWaalsContact CA-O 3.3Å; M305-Y334 WeakPolarHBondContact CA-O 3.45Å; I306-Y334 PolarHBondContact N-O 3.42Å; K332-Y334 HydrophobicContact CB-CD2 4.46Å; K332-Y334 HydrophobicContact CB-CE2 3.67Å; Y334-M392 HydrophobicContact CD1-CG 3.62Å; Y334-M392 HydrophobicContact CD1-SD 4.29Å; Y334-M392 HydrophobicContact CE1-CG 3.39Å; Y334-M392 HydrophobicContact CE1-SD 3.54Å; Y334-M392 VanDerWaalsContact CE1-SD 3.54Å; Y334-M392 HydrophobicContact CE2-SD 4.24Å; Y334-M392 HydrophobicContact CG-CG 4.34Å; Y334-M392 VanDerWaalsContact CZ-SD 3.5Å; Y334-M392 PolarHBondContact OH-SD 2.89Å; Y334-C395 HydrophobicContact CD1-CB 3.96Å; Y334-C395 HydrophobicContact CG-CB 4.4Å; Y334-L397 HydrophobicContact CD1-CD1 4.01Å; Y334-L397 HydrophobicContact CD2-CD1 4.42Å; Y334-L397 HydrophobicContact CE1-CB 4.45Å; Y334-L397 HydrophobicContact CE1-CD1 3.66Å; Y334-L397 HydrophobicContact CE2-CD1 4.1Å; Y334-L397 HydrophobicContact CG-CD1 4.39Å
335H98.5Very high97.9Very high22 Ų2230.3 Ų30.310%0.10216%0.159CC..EExtended strand (participates in β ladder)trans-91.8108.5172-70.2-76.1000109.7I306 P307 N308 A337 C395 I396I306-H335 WeakPolarHBondContact CD1-CE1 3.42Å; I306-H335 CarbonylContact O-C 3.38Å; I306-H335 WeakPolarHBondContact O-CA 3.4Å; P307-H335 PolarHBondContact O-ND1 3.35Å; N308-H335 HydrophobicContact CB-CB 4.23Å; H335-A337 PolarHBondContact O-N 2.75Å; H335-C395 CarbonylContact O-C 3.6Å; H335-C395 VanDerWaalsContact O-CA 3.27Å; H335-C395 WeakPolarHBondContact O-CA 3.43Å; H335-I396 PolarHBondContact N-O 3.22Å; H335-I396 PolarHBondContact O-N 2.97Å
336Y98.3Very high97.9Very high0 Ų027.8 Ų27.80%015%0.149CC..EExtended strand (participates in β ladder)trans-64.8124.1178.4-173.1-105.1000111R193 M305 I306 N308 D338 L341 D391 E394 C395R193-Y336 HydrophobicContact CB-CE1 3.75Å; R193-Y336 HydrophobicContact CG-CE1 4.21Å; R193-Y336 HydrophobicContact CG-CE2 4.49Å; M305-Y336 HydrophobicContact SD-CD2 4.05Å; I306-Y336 PolarHBondContact O-N 3.29Å; N308-Y336 WeakPolarHBondContact CB-O 3.49Å; N308-Y336 PolarHBondContact N-O 2.74Å; N308-Y336 PolarHBondContact OD1-O 3.42Å; Y336-D338 HydrophobicContact CE1-CB 4.23Å; Y336-D338 WeakPolarHBondContact CE1-O 3.42Å; Y336-D338 PolarHBondContact OH-O 2.89Å; Y336-L341 HydrophobicContact CD1-CB 3.84Å; Y336-L341 HydrophobicContact CG-CB 3.98Å; Y336-L341 HydrophobicContact CG-CD1 4.37Å; Y336-D391 HydrophobicContact CD2-CB 4.19Å; Y336-D391 HydrophobicContact CE2-CB 3.91Å; Y336-E394 HydrophobicContact CE2-CB 4.11Å; Y336-C395 VanDerWaalsContact CA-SG 3.55Å
337A96.6Very high97.9Very high42 Ų4228.1 Ų28.135%0.34715%0.151SC..  trans-109.5-13.7-171.200000115.6N308 H335 G339 E394 I396N308-A337 WeakPolarHBondContact ND2-CA 3.19Å; H335-A337 PolarHBondContact O-N 2.75Å; A337-G339 VanDerWaalsContact C-N 3.29Å; A337-G339 PolarHBondContact O-N 2.85Å; A337-G339 VanDerWaalsContact O-N 3.12Å; A337-E394 WeakPolarHBondContact CA-O 3.48Å; A337-E394 WeakPolarHBondContact CB-O 3.3Å; A337-E394 PolarHBondContact N-O 3.09Å; A337-I396 HydrophobicContact CB-CG1 4.5Å
338D94.8Very high97.9Very high57 Ų5726.6 Ų26.631%0.30514%0.144SC..SBendtrans-86.563.3175.2-176.832.1000112R191 Y336 E394R191-D338 WeakPolarHBondContact CD-OD2 3.25Å; R191-D338 IonicContact CZ-OD2 2.76Å; R191-D338 IonicContact NE-OD2 2.79Å; R191-D338 IonicContact NH1-OD2 3.96Å; R191-D338 PolarHBondContact NH1-OD2 3.44Å; Y336-D338 HydrophobicContact CE1-CB 4.23Å; Y336-D338 WeakPolarHBondContact CE1-O 3.42Å; Y336-D338 PolarHBondContact OH-O 2.89Å; D338-E394 HydrophobicContact CB-CB 3.82Å; D338-E394 HydrophobicContact CB-CG 3.99Å
339G94.9Very high97.7Very high10 Ų1021.1 Ų21.110%0.10312%0.119CC..SBendtrans93-139.9-179.700000113.7F189 R191 M309 A337F189-G339 CarbonylContact O-C 3.57Å; F189-G339 WeakPolarHBondContact O-CA 3.44Å; R191-G339 WeakPolarHBondContact O-CA 2.87Å; M309-G339 WeakPolarHBondContact CE-O 3.47Å; A337-G339 VanDerWaalsContact C-N 3.29Å; A337-G339 PolarHBondContact O-N 2.85Å; A337-G339 VanDerWaalsContact O-N 3.12Å
340F97Very high97.3Very high0 Ų017.9 Ų17.90%011%0.11CC..EExtended strand (participates in β ladder)trans-113.1121.8-175-170.4-101.8000112.3F189 R191 W192 R193 P280 P307 M309 D311 H342F189-F340 HydrophobicContact CB-CB 3.98Å; F189-F340 HydrophobicContact CD1-CB 4.04Å; F189-F340 HydrophobicContact CD1-CD2 4.11Å; F189-F340 HydrophobicContact CD1-CG 4.08Å; F189-F340 HydrophobicContact CE1-CD2 4.36Å; F189-F340 HydrophobicContact CG-CB 4.32Å; F189-F340 PolarHBondContact O-N 2.68Å; R191-F340 PolarHBondContact O-N 3.32Å; W192-F340 HydrophobicContact CD2-CD1 4.24Å; W192-F340 HydrophobicContact CE3-CB 4.34Å; W192-F340 HydrophobicContact CE3-CD1 4.02Å; W192-F340 AromaticContact CH2-CD1 3.51Å; W192-F340 HydrophobicContact CH2-CD1 3.51Å; W192-F340 AromaticContact CH2-CE1 3.65Å; W192-F340 HydrophobicContact CH2-CE1 3.65Å; W192-F340 AromaticContact CZ2-CD1 3.76Å; W192-F340 HydrophobicContact CZ2-CD1 3.76Å; W192-F340 AromaticContact CZ2-CE1 3.88Å; W192-F340 HydrophobicContact CZ2-CE1 3.88Å; W192-F340 HydrophobicContact CZ3-CB 4.49Å; W192-F340 AromaticContact CZ3-CD1 3.65Å; W192-F340 HydrophobicContact CZ3-CD1 3.65Å; W192-F340 HydrophobicContact CZ3-CE1 4.22Å; W192-F340 HydrophobicContact CZ3-CG 4.28Å; R193-F340 PolarHBondContact N-O 2.93Å; P280-F340 HydrophobicContact CB-CE1 4.48Å; P280-F340 HydrophobicContact CB-CZ 4.36Å; P307-F340 HydrophobicContact CB-CD2 3.99Å; P307-F340 HydrophobicContact CB-CE2 3.74Å; P307-F340 HydrophobicContact CB-CZ 4.5Å; P307-F340 HydrophobicContact CG-CD2 4.3Å; P307-F340 HydrophobicContact CG-CE2 3.76Å; P307-F340 HydrophobicContact CG-CZ 4.04Å; M309-F340 HydrophobicContact CG-CD2 3.91Å; D311-F340 HydrophobicContact CB-CE1 4.45Å; D311-F340 HydrophobicContact CB-CE2 3.96Å; D311-F340 HydrophobicContact CB-CZ 3.73Å; F340-H342 HydrophobicContact CD1-CB 4.11Å; F340-H342 HydrophobicContact CE1-CB 4.04Å; F340-H342 AromaticContact CE1-CD2 3.87Å
341L97.7Very high97.1Very high0 Ų018.2 Ų18.20%010%0.097CC..EExtended strand (participates in β ladder)trans-83.9118.6174.7-176.375.2000110.7R193 Q278 M305 P307 Y336R193-L341 HydrophobicContact CB-CD1 4.45Å; R193-L341 HydrophobicContact CG-CD1 3.9Å; Q278-L341 HydrophobicContact CB-CD2 4.36Å; M305-L341 HydrophobicContact CB-CD2 3.96Å; M305-L341 HydrophobicContact CG-CD2 3.63Å; M305-L341 WeakPolarHBondContact O-CD2 3.46Å; M305-L341 HydrophobicContact SD-CD1 4.23Å; M305-L341 HydrophobicContact SD-CD2 3.96Å; P307-L341 HydrophobicContact CG-CB 4.35Å; P307-L341 VanDerWaalsContact CG-O 3.29Å; P307-L341 WeakPolarHBondContact CG-O 3.43Å; Y336-L341 HydrophobicContact CD1-CB 3.84Å; Y336-L341 HydrophobicContact CG-CB 3.98Å; Y336-L341 HydrophobicContact CG-CD1 4.37Å
342H97Very high97Very high8 Ų818.2 Ų18.24%0.03710%0.097CC..  trans-123.92.5178-164.5-114.9000113.2W192 R193 D194 F340 K344W192-H342 AromaticContact CE2-CG 3.84Å; W192-H342 HydrophobicContact CZ2-CB 3.76Å; W192-H342 AromaticContact CZ2-CD2 3.73Å; W192-H342 AromaticContact CZ2-CG 3.51Å; W192-H342 AromaticContact CZ2-ND1 3.8Å; W192-H342 AromaticContact NE1-CG 3.68Å; W192-H342 AromaticContact NE1-ND1 3.64Å; R193-H342 PolarHBondContact O-N 2.88Å; D194-H342 HydrophobicContact CB-CB 4.21Å; D194-H342 VanDerWaalsContact OD1-O 3.14Å; D194-H342 IonicContact OD2-CE1 3.64Å; D194-H342 IonicContact OD2-CG 3.93Å; D194-H342 IonicContact OD2-ND1 3.72Å; D194-H342 PolarHBondContact OD2-ND1 3.21Å; F340-H342 HydrophobicContact CD1-CB 4.11Å; F340-H342 HydrophobicContact CE1-CB 4.04Å; F340-H342 AromaticContact CE1-CD2 3.87Å; H342-K344 PolarHBondContact CD2-NZ 3.44Å; H342-K344 PolarHBondContact CE1-NZ 2.93Å; H342-K344 VanDerWaalsContact CG-NZ 3.29Å; H342-K344 PolarHBondContact ND1-NZ 3.08Å; H342-K344 PolarHBondContact NE2-NZ 3.39Å; H342-K344 VanDerWaalsContact O-CD 3.29Å; H342-K344 WeakPolarHBondContact O-CD 3.5Å; H342-K344 VanDerWaalsContact O-CE 3.25Å; H342-K344 WeakPolarHBondContact O-CE 3.23Å; H342-K344 PolarHBondContact O-NZ 2.85Å
343S98Very high96.9Very high0 Ų014.3 Ų14.30%08%0.081CC..  trans-57.6144.2175.1-56.40000112.7R193 D194 T195 Q278 S279 P280R193-S343 PolarHBondContact NH1-OG 3.19Å; R193-S343 PolarHBondContact O-N 3.28Å; D194-S343 WeakPolarHBondContact CA-OG 3.32Å; D194-S343 WeakPolarHBondContact OD1-CA 3.48Å; D194-S343 PolarHBondContact OD1-N 3.28Å; T195-S343 PolarHBondContact OG1-OG 3.29Å; Q278-S343 CarbonylContact C-O 3.57Å; Q278-S343 VanDerWaalsContact C-O 3.29Å; Q278-S343 VanDerWaalsContact O-O 3.08Å; S279-S343 WeakPolarHBondContact CA-O 3.32Å; S279-S343 PolarHBondContact N-O 3.27Å; P280-S343 WeakPolarHBondContact CD-O 3.27Å
344K98.3Very high96.9Very high8 Ų814.4 Ų14.44%0.0358%0.081CC..  trans-12286.7169-65.390.1-175.9162.50108.4Q278 H342 F355 G356 T358 N359Q278-K344 WeakPolarHBondContact O-CA 3.36Å; H342-K344 PolarHBondContact CD2-NZ 3.44Å; H342-K344 PolarHBondContact CE1-NZ 2.93Å; H342-K344 VanDerWaalsContact CG-NZ 3.29Å; H342-K344 PolarHBondContact ND1-NZ 3.08Å; H342-K344 PolarHBondContact NE2-NZ 3.39Å; H342-K344 VanDerWaalsContact O-CD 3.29Å; H342-K344 WeakPolarHBondContact O-CD 3.5Å; H342-K344 VanDerWaalsContact O-CE 3.25Å; H342-K344 WeakPolarHBondContact O-CE 3.23Å; H342-K344 PolarHBondContact O-NZ 2.85Å; K344-F355 WeakPolarHBondContact O-CA 3.47Å; K344-G356 PolarHBondContact O-N 2.8Å; K344-T358 WeakPolarHBondContact CB-O 3.43Å; K344-T358 VanDerWaalsContact CG-O 3.3Å; K344-T358 WeakPolarHBondContact CG-O 3.3Å; K344-N359 WeakPolarHBondContact CE-OD1 2.99Å
345T98.7Very high96.9Very high10 Ų1013.2 Ų13.26%0.0618%0.077CC..EExtended strand (participates in β ladder)trans-130.7147.4-175.258.50000111.1T195 I277 Q278 S354 F355 F384T195-T345 HydrophobicContact CG2-CG2 4.1Å; I277-T345 CarbonylContact C-O 3.53Å; I277-T345 VanDerWaalsContact CA-O 3.32Å; I277-T345 WeakPolarHBondContact CA-O 3.37Å; Q278-T345 WeakPolarHBondContact CB-OG1 3.31Å; Q278-T345 WeakPolarHBondContact CG-OG1 3.31Å; Q278-T345 PolarHBondContact N-O 3.3Å; Q278-T345 PolarHBondContact O-N 3.33Å; Q278-T345 PolarHBondContact OE1-OG1 3.27Å; Q278-T345 VanDerWaalsContact OE1-OG1 3.12Å; T345-S354 WeakPolarHBondContact CA-O 3.34Å; T345-F355 HydrophobicContact CG2-CB 4.16Å; T345-F384 HydrophobicContact CG2-CD2 4.47Å; T345-F384 HydrophobicContact CG2-CE2 4.17Å
346I98.7Very high96.9Very high2 Ų212.2 Ų12.21%0.017%0.072CC..EExtended strand (participates in β ladder)trans-132.3132.5169.4-55.3-175.6000107.2F264 M267 W276 I277 V348 A353 S354F264-I346 HydrophobicContact CB-CD1 3.92Å; F264-I346 HydrophobicContact CD1-CD1 3.66Å; F264-I346 HydrophobicContact CD2-CD1 4.14Å; F264-I346 HydrophobicContact CE1-CD1 4.2Å; F264-I346 HydrophobicContact CG-CD1 3.64Å; M267-I346 HydrophobicContact CE-CB 4.26Å; M267-I346 HydrophobicContact CE-CG2 3.98Å; W276-I346 CarbonylContact O-C 3.59Å; W276-I346 WeakPolarHBondContact O-CA 3.36Å; I277-I346 HydrophobicContact CG1-CG1 4.17Å; I277-I346 HydrophobicContact CG1-CG2 4.26Å; I277-I346 HydrophobicContact CG2-CG1 4.31Å; I346-V348 HydrophobicContact CG2-CG2 4.09Å; I346-A353 CarbonylContact O-C 3.48Å; I346-A353 VanDerWaalsContact O-CA 3.32Å; I346-A353 WeakPolarHBondContact O-CA 3.42Å; I346-S354 PolarHBondContact N-O 2.77Å; I346-S354 VanDerWaalsContact N-O 3.08Å; I346-S354 PolarHBondContact O-N 2.86Å
347V98.4Very high96.8Very high7 Ų712.2 Ų12.24%0.0427%0.072CC..EExtended strand (participates in β ladder)trans-126133.9169.359.90000109.7W276 L352 A381 F384W276-V347 HydrophobicContact CB-CG1 3.72Å; W276-V347 HydrophobicContact CE3-CG1 4.37Å; W276-V347 HydrophobicContact CG-CG1 4.41Å; W276-V347 PolarHBondContact N-O 3.31Å; W276-V347 PolarHBondContact O-N 2.85Å; V347-L352 WeakPolarHBondContact CA-O 3.5Å; V347-A381 HydrophobicContact CG2-CB 4.07Å; V347-A381 WeakPolarHBondContact CG2-O 3.48Å; V347-F384 HydrophobicContact CB-CB 4.29Å; V347-F384 HydrophobicContact CG2-CB 4.48Å
348V98.1Very high96.9Very high1 Ų110.3 Ų10.31%0.0066%0.056CC..EExtended strand (participates in β ladder)trans-127.5127.9-178.9176.30000109.9M267 A271 S274 V275 I346 D350 E351 L352M267-V348 HydrophobicContact CB-CG2 4.25Å; M267-V348 HydrophobicContact CE-CG2 4.25Å; A271-V348 HydrophobicContact CB-CG1 3.45Å; A271-V348 VanDerWaalsContact CB-CG1 3.45Å; S274-V348 WeakPolarHBondContact O-CA 3.43Å; V275-V348 HydrophobicContact CG2-CG2 4.19Å; I346-V348 HydrophobicContact CG2-CG2 4.09Å; V348-D350 PolarHBondContact O-N 3.44Å; V348-E351 PolarHBondContact O-N 2.76Å; V348-L352 HydrophobicContact CB-CB 4.21Å; V348-L352 HydrophobicContact CB-CD1 4.44Å; V348-L352 PolarHBondContact N-O 2.95Å; V348-L352 PolarHBondContact O-N 3.25Å
349D94.2Very high97Very high10 Ų107.8 Ų7.85%0.0534%0.043CC..THydrogen-bonded Turntrans51.222.9171.5-63-15.2000118.1A271 E272 K273 S274 E351A271-D349 WeakPolarHBondContact CA-OD2 3.21Å; E272-D349 PolarHBondContact N-OD1 3.46Å; E272-D349 PolarHBondContact N-OD2 2.9Å; K273-D349 WeakPolarHBondContact CA-OD1 3.49Å; K273-D349 WeakPolarHBondContact CB-OD1 3.24Å; K273-D349 PolarHBondContact N-OD1 3.05Å; S274-D349 PolarHBondContact N-OD1 3.38Å; S274-D349 PolarHBondContact O-N 2.98Å; D349-E351 HydrophobicContact CB-CB 4.46Å; D349-E351 PolarHBondContact O-N 2.87Å
350D90.4Very high97.1Very high39 Ų397.5 Ų7.521%0.2094%0.039CC..THydrogen-bonded Turntrans59.221.5-171.3-50.2-42.4000113.1V348 P378 A381 Q382 R385V348-D350 PolarHBondContact O-N 3.44Å; D350-P378 WeakPolarHBondContact O-CA 3.42Å; D350-P378 WeakPolarHBondContact O-CB 3.41Å; D350-A381 WeakPolarHBondContact O-CB 3.29Å; D350-Q382 HydrophobicContact CB-CG 4.02Å; D350-R385 WeakPolarHBondContact OD1-CD 3.48Å; D350-R385 IonicContact OD1-CZ 2.81Å; D350-R385 IonicContact OD1-NE 3.77Å; D350-R385 IonicContact OD1-NH1 3.74Å; D350-R385 PolarHBondContact OD1-NH1 2.75Å; D350-R385 IonicContact OD2-CZ 3.19Å; D350-R385 IonicContact OD2-NH1 2.88Å; D350-R385 PolarHBondContact OD2-NH1 3.06Å
351E93.2Very high97.1Very high57 Ų577.6 Ų7.627%0.2664%0.039SC..THydrogen-bonded Turntrans-120.4-55.1-173.8-80.6-175-177.600110.8Y35 V348 D349Y35-E351 HydrophobicContact CD1-CG 4.46Å; Y35-E351 HydrophobicContact CD2-CB 4.16Å; Y35-E351 HydrophobicContact CD2-CG 4.26Å; Y35-E351 WeakPolarHBondContact CD2-OE2 3.32Å; Y35-E351 HydrophobicContact CE1-CB 4.16Å; Y35-E351 HydrophobicContact CE1-CG 4.35Å; Y35-E351 HydrophobicContact CE2-CB 3.61Å; Y35-E351 HydrophobicContact CE2-CG 4.19Å; Y35-E351 WeakPolarHBondContact CE2-OE2 3.17Å; Y35-E351 HydrophobicContact CG-CG 4.42Å; Y35-E351 PolarHBondContact OH-O 3.25Å; V348-E351 PolarHBondContact O-N 2.76Å; D349-E351 HydrophobicContact CB-CB 4.46Å; D349-E351 PolarHBondContact O-N 2.87Å
352L96.8Very high96.9Very high2 Ų28.6 Ų8.61%0.014%0.044CC..EExtended strand (participates in β ladder)trans-103.2141.2-176.9-55.9168.1000110.8Y35 A37 A38 M41 M267 V347 V348 Y376Y35-L352 HydrophobicContact CE2-CD2 3.74Å; Y35-L352 HydrophobicContact CE2-CG 4.07Å; Y35-L352 VanDerWaalsContact OH-CD2 3.23Å; Y35-L352 WeakPolarHBondContact OH-CD2 3.29Å; A37-L352 HydrophobicContact CB-CD1 4.02Å; A38-L352 HydrophobicContact CB-CD2 4.16Å; M41-L352 HydrophobicContact CG-CD1 4.4Å; M41-L352 HydrophobicContact CG-CD2 4.39Å; M267-L352 HydrophobicContact CB-CD1 4.49Å; M267-L352 HydrophobicContact CE-CB 3.87Å; M267-L352 HydrophobicContact CG-CD1 4.32Å; V347-L352 WeakPolarHBondContact CA-O 3.5Å; V348-L352 HydrophobicContact CB-CB 4.21Å; V348-L352 HydrophobicContact CB-CD1 4.44Å; V348-L352 PolarHBondContact N-O 2.95Å; V348-L352 PolarHBondContact O-N 3.25Å; L352-Y376 HydrophobicContact CD2-CD1 3.56Å; L352-Y376 HydrophobicContact CD2-CE1 4.01Å
353A98.2Very high96.6Very high1 Ų19.8 Ų9.81%0.0085%0.048CC..EExtended strand (participates in β ladder)trans-134.6152.4171.500000111.3I346 I375 A381 F384I346-A353 CarbonylContact O-C 3.48Å; I346-A353 VanDerWaalsContact O-CA 3.32Å; I346-A353 WeakPolarHBondContact O-CA 3.42Å; A353-I375 HydrophobicContact CB-CB 4.32Å; A353-I375 PolarHBondContact N-O 3.48Å; A353-I375 VanDerWaalsContact N-O 3.12Å; A353-I375 PolarHBondContact O-N 2.94Å; A353-A381 HydrophobicContact CB-CB 4.4Å; A353-F384 HydrophobicContact CB-CD2 3.74Å; A353-F384 HydrophobicContact CB-CE2 4.08Å; A353-F384 HydrophobicContact CB-CG 4.37Å
354S98.6Very high96.4Very high2 Ų29.8 Ų9.81%0.0145%0.049CC..EExtended strand (participates in β ladder)trans-139.5142171.11780000111.3F264 T345 I346 S373F264-S354 WeakPolarHBondContact CE1-OG 3.3Å; T345-S354 WeakPolarHBondContact CA-O 3.34Å; I346-S354 PolarHBondContact N-O 2.77Å; I346-S354 VanDerWaalsContact N-O 3.08Å; I346-S354 PolarHBondContact O-N 2.86Å; S354-S373 WeakPolarHBondContact CA-O 3.31Å; S354-S373 PolarHBondContact OG-O 2.74Å
355F98.7Very high96.1Very high0 Ų09.7 Ų9.70%05%0.048CC..EExtended strand (participates in β ladder)trans-144.8154.7169.978.1-75.8000111L59 F61 T173 T195 I199 K344 T345 S373 I375 F384L59-F355 HydrophobicContact CD2-CE1 4.06Å; L59-F355 HydrophobicContact CD2-CZ 4.33Å; F61-F355 AromaticContact CE1-CD1 3.69Å; F61-F355 HydrophobicContact CE1-CD1 3.69Å; F61-F355 HydrophobicContact CE1-CD2 4.25Å; F61-F355 AromaticContact CE1-CE1 3.59Å; F61-F355 HydrophobicContact CE1-CE1 3.59Å; F61-F355 HydrophobicContact CE1-CE2 4.15Å; F61-F355 HydrophobicContact CE1-CG 4.03Å; F61-F355 AromaticContact CE1-CZ 3.83Å; F61-F355 HydrophobicContact CE1-CZ 3.83Å; F61-F355 HydrophobicContact CZ-CD1 4.23Å; F61-F355 HydrophobicContact CZ-CE1 4.04Å; T173-F355 HydrophobicContact CG2-CE2 3.86Å; T173-F355 HydrophobicContact CG2-CZ 4.14Å; T173-F355 WeakPolarHBondContact O-CE2 3.38Å; T195-F355 HydrophobicContact CG2-CB 4.28Å; I199-F355 HydrophobicContact CD1-CZ 4.32Å; K344-F355 WeakPolarHBondContact O-CA 3.47Å; T345-F355 HydrophobicContact CG2-CB 4.16Å; F355-S373 WeakPolarHBondContact CE1-OG 3.47Å; F355-S373 WeakPolarHBondContact CZ-OG 3.4Å; F355-S373 PolarHBondContact N-O 3.36Å; F355-S373 VanDerWaalsContact N-O 3.15Å; F355-S373 WeakPolarHBondContact O-CB 3.3Å; F355-S373 PolarHBondContact O-N 3.07Å; F355-I375 HydrophobicContact CD1-CD1 3.67Å; F355-I375 HydrophobicContact CE1-CD1 3.69Å; F355-F384 HydrophobicContact CB-CE2 3.93Å; F355-F384 HydrophobicContact CB-CZ 4Å; F355-F384 HydrophobicContact CD1-CZ 4.19Å; F355-F384 HydrophobicContact CG-CZ 4.28Å
356G98.1Very high95.7Very high1 Ų113.1 Ų13.11%0.016%0.064CC..EExtended strand (participates in β ladder)trans166.2-148.8176.800000113.2G174 K344 V371G174-G356 CarbonylContact C-O 3.57Å; K344-G356 PolarHBondContact O-N 2.8Å; G356-V371 WeakPolarHBondContact CA-O 3.41Å
357S97.3Very high95.2Very high0 Ų014.5 Ų14.50%07%0.071CC..SBendtrans-94.4-20.7179.865.90000114.2H160 N359 E370 V371H160-S357 PolarHBondContact CE1-O 2.83Å; H160-S357 VanDerWaalsContact CE1-O 3.31Å; H160-S357 PolarHBondContact ND1-O 2.99Å; H160-S357 WeakPolarHBondContact O-CB 3.31Å; H160-S357 PolarHBondContact O-OG 2.9Å; S357-N359 PolarHBondContact O-N 2.92Å; S357-E370 WeakPolarHBondContact CB-OE2 3.31Å; S357-E370 PolarHBondContact OG-OE2 3.44Å; S357-V371 PolarHBondContact N-O 2.8Å; S357-V371 PolarHBondContact OG-N 2.86Å; S357-V371 PolarHBondContact OG-O 2.87Å
358T97.4Very high94.8Very high2 Ų214.5 Ų14.51%0.0127%0.071CC..  trans-70.9113.5-169.8-42.30000113.3I260 F264 K344 Y365 E370 S372I260-T358 HydrophobicContact CG2-CG2 3.81Å; F264-T358 HydrophobicContact CE2-CG2 3.78Å; F264-T358 HydrophobicContact CZ-CG2 4.28Å; K344-T358 WeakPolarHBondContact CB-O 3.43Å; K344-T358 VanDerWaalsContact CG-O 3.3Å; K344-T358 WeakPolarHBondContact CG-O 3.3Å; T358-Y365 HydrophobicContact CG2-CD1 4.27Å; T358-Y365 HydrophobicContact CG2-CE1 4.36Å; T358-E370 HydrophobicContact CG2-CB 4.39Å; T358-E370 HydrophobicContact CG2-CG 4.25Å; T358-E370 PolarHBondContact N-OE2 3.25Å; T358-E370 WeakPolarHBondContact OG1-CB 3.49Å; T358-S372 WeakPolarHBondContact CB-OG 3.48Å; T358-S372 PolarHBondContact OG1-OG 3.18Å
359N97.1Very high94.6Very high3 Ų314.7 Ų14.72%0.0167%0.071CC..  trans-72.3167.8173.1-58.3-67.3000111.8P280 Y281 K344 S357 D361 S364 Y365P280-N359 WeakPolarHBondContact CG-OD1 3.36Å; Y281-N359 HydrophobicContact CD2-CB 4.04Å; Y281-N359 VanDerWaalsContact CD2-CG 3.5Å; K344-N359 WeakPolarHBondContact CE-OD1 2.99Å; S357-N359 PolarHBondContact O-N 2.92Å; N359-D361 WeakPolarHBondContact CB-OD2 3.42Å; N359-D361 PolarHBondContact O-N 3.04Å; N359-S364 WeakPolarHBondContact CB-OG 3.4Å; N359-S364 PolarHBondContact N-OG 3.35Å; N359-S364 VanDerWaalsContact N-OG 3.11Å; N359-S364 PolarHBondContact ND2-OG 3.33Å; N359-Y365 WeakPolarHBondContact O-CE1 3.37Å
360Q97.5Very high94.6Very high4 Ų414.2 Ų14.22%0.0197%0.069CC..EExtended strand (participates in β ladder)trans-89.756169.7-59.3-56.5-5000110.9F264 I277 S279 Y281 L282 V283 Y365F264-Q360 VanDerWaalsContact CE2-NE2 3.33Å; I277-Q360 HydrophobicContact CG2-CG 3.87Å; S279-Q360 PolarHBondContact OG-N 2.9Å; Y281-Q360 CarbonylContact O-C 3.47Å; Y281-Q360 PolarHBondContact O-N 3.24Å; L282-Q360 HydrophobicContact CD1-CB 4.35Å; V283-Q360 CarbonylContact C-O 3.47Å; V283-Q360 PolarHBondContact N-O 3.41Å; Q360-Y365 VanDerWaalsContact CA-OH 3.29Å; Q360-Y365 WeakPolarHBondContact CA-OH 3.5Å; Q360-Y365 PolarHBondContact OE1-OH 3.22Å
361D96.1Very high95Very high3 Ų312.3 Ų12.32%0.0166%0.059CC..EExtended strand (participates in β ladder)trans-136.5156.2177.765.343.9000113.4Y281 V283 N359 R363 S364 Y365Y281-D361 WeakPolarHBondContact CB-OD2 3.49Å; Y281-D361 WeakPolarHBondContact CD2-OD2 3.31Å; V283-D361 HydrophobicContact CB-CB 3.84Å; V283-D361 VanDerWaalsContact O-CA 3.26Å; V283-D361 WeakPolarHBondContact O-CA 3.23Å; N359-D361 WeakPolarHBondContact CB-OD2 3.42Å; N359-D361 PolarHBondContact O-N 3.04Å; D361-R363 PolarHBondContact O-N 2.96Å; D361-R363 PolarHBondContact OD1-N 3.26Å; D361-S364 PolarHBondContact O-N 3.2Å; D361-S364 WeakPolarHBondContact OD1-CB 3.18Å; D361-S364 PolarHBondContact OD1-N 3.06Å; D361-Y365 WeakPolarHBondContact O-CD2 3.21Å; D361-Y365 WeakPolarHBondContact O-CE2 3.47Å; D361-Y365 VanDerWaalsContact O-CG 3.22Å; D361-Y365 PolarHBondContact O-N 2.93Å
362I94.3Very high95.2Very high20 Ų209.7 Ų9.710%0.1035%0.047CC..Hα-helixtrans-55.5-37179.7-65.6160.5000111.4V283 D285 Y365 E366V283-I362 PolarHBondContact O-N 3.34Å; V283-I362 VanDerWaalsContact O-N 3.12Å; D285-I362 HydrophobicContact CB-CG1 4Å; I362-Y365 PolarHBondContact O-N 3.4Å; I362-E366 HydrophobicContact CG2-CG 4.17Å; I362-E366 WeakPolarHBondContact O-CB 3.45Å; I362-E366 WeakPolarHBondContact O-CG 3.31Å; I362-E366 PolarHBondContact O-N 2.86Å
363R91.5Very high95.3Very high33 Ų339.6 Ų9.613%0.1255%0.046CC..Hα-helixtrans-67.7-42.3-176.6178.4-175.1-178.974.229.8112.7N156 H158 D361 Y365 E366 L367 N368 L424N156-R363 PolarHBondContact O-NH2 3.03Å; H158-R363 PolarHBondContact CD2-NH2 3.18Å; D361-R363 PolarHBondContact O-N 2.96Å; D361-R363 PolarHBondContact OD1-N 3.26Å; R363-Y365 VanDerWaalsContact C-N 3.26Å; R363-Y365 PolarHBondContact O-N 3.48Å; R363-E366 PolarHBondContact O-N 2.93Å; R363-L367 HydrophobicContact CG-CB 4.09Å; R363-L367 HydrophobicContact CG-CD1 4.27Å; R363-L367 WeakPolarHBondContact O-CA 3.39Å; R363-L367 PolarHBondContact O-N 3.02Å; R363-N368 PolarHBondContact NE-OD1 3.48Å; R363-N368 VanDerWaalsContact NE-OD1 3.15Å; R363-N368 PolarHBondContact NH2-OD1 3.38Å; R363-N368 PolarHBondContact O-N 2.87Å; R363-L424 WeakPolarHBondContact CB-O 3.48Å; R363-L424 WeakPolarHBondContact CD-O 3.3Å
364S93.7Very high95.2Very high1 Ų19.6 Ų9.61%0.0075%0.046CC..Hα-helixtrans-64.4-32172.3-84.40000111.6N359 D361 E370N359-S364 WeakPolarHBondContact CB-OG 3.4Å; N359-S364 PolarHBondContact N-OG 3.35Å; N359-S364 VanDerWaalsContact N-OG 3.11Å; N359-S364 PolarHBondContact ND2-OG 3.33Å; D361-S364 PolarHBondContact O-N 3.2Å; D361-S364 WeakPolarHBondContact OD1-CB 3.18Å; D361-S364 PolarHBondContact OD1-N 3.06Å; S364-E370 WeakPolarHBondContact CB-OE1 3.39Å; S364-E370 WeakPolarHBondContact O-CG 3.26Å; S364-E370 PolarHBondContact OG-OE1 3.17Å
365Y92.3Very high95.2Very high5 Ų59.6 Ų9.62%0.025%0.046CC..Hα-helixtrans-76.8-28.5177.1-51.7-30.5000113.9K261 F264 M288 T358 N359 Q360 D361 I362 R363K261-Y365 HydrophobicContact CB-CD1 3.83Å; K261-Y365 HydrophobicContact CB-CE1 4.32Å; K261-Y365 HydrophobicContact CB-CG 3.95Å; K261-Y365 HydrophobicContact CD-CD2 3.73Å; K261-Y365 HydrophobicContact CD-CE2 4.22Å; K261-Y365 HydrophobicContact CD-CG 3.92Å; K261-Y365 HydrophobicContact CG-CD1 3.98Å; K261-Y365 HydrophobicContact CG-CD2 3.91Å; K261-Y365 HydrophobicContact CG-CE1 4.17Å; K261-Y365 HydrophobicContact CG-CE2 4.1Å; K261-Y365 HydrophobicContact CG-CG 3.85Å; F264-Y365 HydrophobicContact CD2-CE1 4.46Å; M288-Y365 HydrophobicContact CB-CE2 4.39Å; T358-Y365 HydrophobicContact CG2-CD1 4.27Å; T358-Y365 HydrophobicContact CG2-CE1 4.36Å; N359-Y365 WeakPolarHBondContact O-CE1 3.37Å; Q360-Y365 VanDerWaalsContact CA-OH 3.29Å; Q360-Y365 WeakPolarHBondContact CA-OH 3.5Å; Q360-Y365 PolarHBondContact OE1-OH 3.22Å; D361-Y365 WeakPolarHBondContact O-CD2 3.21Å; D361-Y365 WeakPolarHBondContact O-CE2 3.47Å; D361-Y365 VanDerWaalsContact O-CG 3.22Å; D361-Y365 PolarHBondContact O-N 2.93Å; I362-Y365 PolarHBondContact O-N 3.4Å; R363-Y365 VanDerWaalsContact C-N 3.26Å; R363-Y365 PolarHBondContact O-N 3.48Å
366E89.4Confident95Very high83 Ų839.7 Ų9.739%0.3885%0.046SC..Hα-helixtrans-121.9-28.8-167-59.9-162.6168.700115.8P253 Q258 I362 R363P253-E366 WeakPolarHBondContact CB-O 3.28Å; Q258-E366 VanDerWaalsContact NE2-CG 3.33Å; Q258-E366 PolarHBondContact NE2-OE1 3.24Å; I362-E366 HydrophobicContact CG2-CG 4.17Å; I362-E366 WeakPolarHBondContact O-CB 3.45Å; I362-E366 WeakPolarHBondContact O-CG 3.31Å; I362-E366 PolarHBondContact O-N 2.86Å; R363-E366 PolarHBondContact O-N 2.93Å
367L87.2Confident94.8Very high30 Ų3010 Ų1016%0.1575%0.048CC..THydrogen-bonded Turntrans-121.8-31-163.5-58.8-179.5000113.5Y157 R363Y157-L367 WeakPolarHBondContact CA-O 3.41Å; Y157-L367 HydrophobicContact CD1-CB 4.39Å; Y157-L367 HydrophobicContact CD1-CD2 4.27Å; Y157-L367 WeakPolarHBondContact CD1-O 3.29Å; Y157-L367 HydrophobicContact CE1-CD2 3.81Å; R363-L367 HydrophobicContact CG-CB 4.09Å; R363-L367 HydrophobicContact CG-CD1 4.27Å; R363-L367 WeakPolarHBondContact O-CA 3.39Å; R363-L367 PolarHBondContact O-N 3.02Å
368N91.1Very high94.6Very high8 Ų812.3 Ų12.34%0.0436%0.062CC..EExtended strand (participates in β ladder)trans-90.5148179.5-67.1-19.3000110.9H158 H160 R363 E370H158-N368 WeakPolarHBondContact O-CA 3.39Å; H160-N368 HydrophobicContact CB-CB 3.78Å; R363-N368 PolarHBondContact NE-OD1 3.48Å; R363-N368 VanDerWaalsContact NE-OD1 3.15Å; R363-N368 PolarHBondContact NH2-OD1 3.38Å; R363-N368 PolarHBondContact O-N 2.87Å; N368-E370 HydrophobicContact CB-CG 4Å; N368-E370 VanDerWaalsContact CB-OE1 3.31Å; N368-E370 WeakPolarHBondContact CB-OE1 3.49Å; N368-E370 PolarHBondContact ND2-OE1 3.39Å; N368-E370 PolarHBondContact O-N 3.4Å
369F93.3Very high94.5Very high4 Ų414.7 Ų14.72%0.0188%0.082CC..EExtended strand (participates in β ladder)trans-77.6119.2161.9-68.1-96.4000107.8M1 F143 T145 H158 L159 H160 R161 D251 P253 D254M1-F369 HydrophobicContact CE-CE1 4.02Å; M1-F369 HydrophobicContact CE-CZ 4.19Å; F143-F369 AromaticContact CE1-CD2 3.56Å; F143-F369 HydrophobicContact CE1-CD2 3.56Å; F143-F369 AromaticContact CE1-CE2 3.73Å; F143-F369 HydrophobicContact CE1-CE2 3.73Å; F143-F369 HydrophobicContact CE1-CG 4.16Å; F143-F369 HydrophobicContact CE1-CZ 4.41Å; F143-F369 HydrophobicContact CZ-CD1 4.14Å; F143-F369 AromaticContact CZ-CD2 3.7Å; F143-F369 HydrophobicContact CZ-CD2 3.7Å; F143-F369 HydrophobicContact CZ-CE1 4.22Å; F143-F369 AromaticContact CZ-CE2 3.83Å; F143-F369 HydrophobicContact CZ-CE2 3.83Å; F143-F369 AromaticContact CZ-CG 3.88Å; F143-F369 HydrophobicContact CZ-CG 3.88Å; F143-F369 HydrophobicContact CZ-CZ 4.08Å; T145-F369 HydrophobicContact CG2-CD2 4.29Å; T145-F369 HydrophobicContact CG2-CE2 3.36Å; T145-F369 HydrophobicContact CG2-CZ 3.6Å; H158-F369 PolarHBondContact O-N 2.89Å; L159-F369 HydrophobicContact CD1-CB 4.01Å; H160-F369 CarbonylContact C-O 3.59Å; H160-F369 VanDerWaalsContact CA-O 3.27Å; H160-F369 WeakPolarHBondContact CA-O 3.45Å; H160-F369 WeakPolarHBondContact CB-O 3.44Å; H160-F369 PolarHBondContact N-O 3.45Å; R161-F369 PolarHBondContact N-O 2.91Å; D251-F369 WeakPolarHBondContact O-CA 3.43Å; P253-F369 HydrophobicContact CG-CD2 4.24Å; P253-F369 HydrophobicContact CG-CE2 3.51Å; P253-F369 HydrophobicContact CG-CZ 3.72Å; D254-F369 WeakPolarHBondContact OD1-CE1 3.48Å
370E95.7Very high94.4Very high0 Ų015.5 Ų15.50%09%0.086CC..EExtended strand (participates in β ladder)trans-124.3162.5-174.4-61.8-70.1-177.800111H160 R161 A250 D251 I260 S357 T358 S364 N368H160-E370 IonicContact CE1-OE1 2.64Å; H160-E370 IonicContact CE1-OE2 3.72Å; H160-E370 IonicContact CG-OE1 3.12Å; H160-E370 IonicContact CG-OE2 3.27Å; H160-E370 VanDerWaalsContact ND1-CD 3.28Å; H160-E370 IonicContact ND1-OE1 3.37Å; H160-E370 PolarHBondContact ND1-OE1 2.98Å; H160-E370 IonicContact ND1-OE2 3Å; H160-E370 PolarHBondContact ND1-OE2 3.05Å; R161-E370 PolarHBondContact NE-O 2.81Å; A250-E370 WeakPolarHBondContact CA-O 3.25Å; D251-E370 PolarHBondContact N-O 3.28Å; D251-E370 PolarHBondContact O-N 2.96Å; I260-E370 HydrophobicContact CD1-CB 4.15Å; S357-E370 WeakPolarHBondContact CB-OE2 3.31Å; S357-E370 PolarHBondContact OG-OE2 3.44Å; T358-E370 HydrophobicContact CG2-CB 4.39Å; T358-E370 HydrophobicContact CG2-CG 4.25Å; T358-E370 PolarHBondContact N-OE2 3.25Å; T358-E370 WeakPolarHBondContact OG1-CB 3.49Å; S364-E370 WeakPolarHBondContact CB-OE1 3.39Å; S364-E370 WeakPolarHBondContact O-CG 3.26Å; S364-E370 PolarHBondContact OG-OE1 3.17Å; N368-E370 HydrophobicContact CB-CG 4Å; N368-E370 VanDerWaalsContact CB-OE1 3.31Å; N368-E370 WeakPolarHBondContact CB-OE1 3.49Å; N368-E370 PolarHBondContact ND2-OE1 3.39Å; N368-E370 PolarHBondContact O-N 3.4Å
371V96.9Very high94.4Very high0 Ų015.3 Ų15.30%09%0.086CC..EExtended strand (participates in β ladder)trans-140.4137.9171.263.90000109.6R161 I163 T173 L207 I210 I248 V249 G356 S357R161-V371 HydrophobicContact CB-CG1 4.11Å; R161-V371 HydrophobicContact CG-CB 4.08Å; R161-V371 HydrophobicContact CG-CG1 3.96Å; I163-V371 HydrophobicContact CD1-CG1 4.42Å; I163-V371 HydrophobicContact CG1-CG1 4.38Å; T173-V371 WeakPolarHBondContact OG1-CG1 3.34Å; L207-V371 HydrophobicContact CD2-CG2 3.87Å; I210-V371 HydrophobicContact CD1-CG2 4.05Å; I248-V371 HydrophobicContact CG2-CG2 3.7Å; V249-V371 CarbonylContact O-C 3.36Å; V249-V371 WeakPolarHBondContact O-CA 3.07Å; G356-V371 WeakPolarHBondContact CA-O 3.41Å; S357-V371 PolarHBondContact N-O 2.8Å; S357-V371 PolarHBondContact OG-N 2.86Å; S357-V371 PolarHBondContact OG-O 2.87Å
372S98Very high94.4Very high2 Ų220.1 Ų20.11%0.01411%0.108CC..EExtended strand (participates in β ladder)trans-139.9141.6175.7-68.20000111.1V249 T358V249-S372 PolarHBondContact N-O 3.49Å; V249-S372 PolarHBondContact O-N 2.98Å; T358-S372 WeakPolarHBondContact CB-OG 3.48Å; T358-S372 PolarHBondContact OG1-OG 3.18Å
373S98.3Very high94.6Very high0 Ų022.6 Ų22.60%012%0.121CC..EExtended strand (participates in β ladder)trans-99.6120.1176.9-59.30000108.4I248 S354 F355I248-S373 WeakPolarHBondContact CD1-OG 3.27Å; S354-S373 WeakPolarHBondContact CA-O 3.31Å; S354-S373 PolarHBondContact OG-O 2.74Å; F355-S373 WeakPolarHBondContact CE1-OG 3.47Å; F355-S373 WeakPolarHBondContact CZ-OG 3.4Å; F355-S373 PolarHBondContact N-O 3.36Å; F355-S373 VanDerWaalsContact N-O 3.15Å; F355-S373 WeakPolarHBondContact O-CB 3.3Å; F355-S373 PolarHBondContact O-N 3.07Å
374F97.9Very high95Very high1 Ų121.4 Ų21.40%0.00412%0.117CC..EExtended strand (participates in β ladder)trans-100.9121.5173.3-67.7-98.6000108.8M41 F45 M246 Q247 V249 I260 F264 M267 Y376M41-F374 HydrophobicContact CE-CD1 3.69Å; M41-F374 HydrophobicContact CE-CE1 3.91Å; F45-F374 HydrophobicContact CE1-CE2 4.34Å; F45-F374 HydrophobicContact CE2-CB 4.03Å; F45-F374 AromaticContact CE2-CD1 3.78Å; F45-F374 HydrophobicContact CE2-CD1 3.78Å; F45-F374 AromaticContact CE2-CD2 3.69Å; F45-F374 HydrophobicContact CE2-CD2 3.69Å; F45-F374 HydrophobicContact CE2-CE1 4.12Å; F45-F374 HydrophobicContact CE2-CE2 4.06Å; F45-F374 AromaticContact CE2-CG 3.55Å; F45-F374 HydrophobicContact CE2-CG 3.55Å; F45-F374 HydrophobicContact CE2-CZ 4.26Å; F45-F374 AromaticContact CZ-CD1 3.92Å; F45-F374 HydrophobicContact CZ-CD1 3.92Å; F45-F374 AromaticContact CZ-CD2 3.68Å; F45-F374 HydrophobicContact CZ-CD2 3.68Å; F45-F374 AromaticContact CZ-CE1 3.77Å; F45-F374 HydrophobicContact CZ-CE1 3.77Å; F45-F374 AromaticContact CZ-CE2 3.53Å; F45-F374 HydrophobicContact CZ-CE2 3.53Å; F45-F374 AromaticContact CZ-CG 3.88Å; F45-F374 HydrophobicContact CZ-CG 3.88Å; F45-F374 AromaticContact CZ-CZ 3.58Å; F45-F374 HydrophobicContact CZ-CZ 3.58Å; M246-F374 CarbonylContact C-O 3.57Å; M246-F374 WeakPolarHBondContact CA-O 3.36Å; M246-F374 VanDerWaalsContact CB-O 3.25Å; M246-F374 WeakPolarHBondContact CB-O 3.25Å; Q247-F374 PolarHBondContact N-O 3.26Å; Q247-F374 PolarHBondContact O-N 3.5Å; V249-F374 HydrophobicContact CB-CD2 4.11Å; V249-F374 HydrophobicContact CB-CE2 3.91Å; V249-F374 HydrophobicContact CG2-CD2 3.62Å; V249-F374 HydrophobicContact CG2-CE2 3.84Å; I260-F374 HydrophobicContact CG2-CZ 4.38Å; F264-F374 AromaticContact CD1-CE1 3.66Å; F264-F374 HydrophobicContact CD1-CE1 3.66Å; F264-F374 AromaticContact CD1-CZ 3.66Å; F264-F374 HydrophobicContact CD1-CZ 3.66Å; F264-F374 AromaticContact CE1-CE1 3.85Å; F264-F374 HydrophobicContact CE1-CE1 3.85Å; F264-F374 HydrophobicContact CE1-CE2 4.4Å; F264-F374 AromaticContact CE1-CZ 3.53Å; F264-F374 HydrophobicContact CE1-CZ 3.53Å; M267-F374 HydrophobicContact CG-CD1 4.28Å; M267-F374 HydrophobicContact CG-CE1 4.28Å; M267-F374 HydrophobicContact SD-CD1 3.44Å; M267-F374 WeakPolarHBondContact SD-CD1 3.5Å; M267-F374 HydrophobicContact SD-CE1 3.48Å; M267-F374 WeakPolarHBondContact SD-CE1 3.47Å; F374-Y376 HydrophobicContact CB-CE1 4.37Å
375I97.3Very high95.2Very high1 Ų124.6 Ų24.61%0.00513%0.129CC..EExtended strand (participates in β ladder)trans-115.3135.8-171.5-61.6156.2000109.8L59 F61 V244 M246 A353 F355 D377 I380L59-I375 HydrophobicContact CD2-CD1 4.23Å; F61-I375 HydrophobicContact CZ-CD1 4Å; V244-I375 HydrophobicContact CG1-CG2 3.59Å; M246-I375 HydrophobicContact CB-CG1 4.06Å; M246-I375 HydrophobicContact CE-CG1 4.36Å; A353-I375 HydrophobicContact CB-CB 4.32Å; A353-I375 PolarHBondContact N-O 3.48Å; A353-I375 VanDerWaalsContact N-O 3.12Å; A353-I375 PolarHBondContact O-N 2.94Å; F355-I375 HydrophobicContact CD1-CD1 3.67Å; F355-I375 HydrophobicContact CE1-CD1 3.69Å; I375-D377 HydrophobicContact CG2-CB 4.1Å; I375-I380 HydrophobicContact CD1-CG2 3.96Å; I375-I380 HydrophobicContact CG2-CB 4.05Å; I375-I380 HydrophobicContact CG2-CG1 4.39Å; I375-I380 HydrophobicContact CG2-CG2 4.04Å
376Y95.4Very high95.5Very high3 Ų328.3 Ų28.31%0.01215%0.152CC..  trans-11751.7-177.2-44.9-58.7000110.9Y35 A38 M41 V42 L53 P245 Q247 L352 F374Y35-Y376 WeakPolarHBondContact OH-CA 3.25Å; A38-Y376 HydrophobicContact CB-CD1 3.72Å; A38-Y376 HydrophobicContact CB-CG 3.9Å; M41-Y376 HydrophobicContact CB-CD1 4.48Å; M41-Y376 HydrophobicContact CB-CE1 3.49Å; M41-Y376 VanDerWaalsContact CB-CE1 3.49Å; M41-Y376 HydrophobicContact CG-CE1 4.09Å; V42-Y376 HydrophobicContact CG2-CD2 3.96Å; V42-Y376 HydrophobicContact CG2-CE2 3.64Å; L53-Y376 HydrophobicContact CD1-CD2 3.8Å; L53-Y376 HydrophobicContact CD1-CE2 3.91Å; P245-Y376 HydrophobicContact CB-CD2 4.44Å; P245-Y376 PolarHBondContact O-N 3.19Å; Q247-Y376 HydrophobicContact CB-CE2 4.4Å; Q247-Y376 HydrophobicContact CG-CE2 4.08Å; Q247-Y376 PolarHBondContact OE1-OH 2.97Å; L352-Y376 HydrophobicContact CD2-CD1 3.56Å; L352-Y376 HydrophobicContact CD2-CE1 4.01Å; F374-Y376 HydrophobicContact CB-CE1 4.37Å
377D93.5Very high95.9Very high8 Ų825.3 Ų25.34%0.04314%0.138CC..  trans-133.8119.1179-179.185.3000110.8V244 I375 A379 I380 A381V244-D377 HydrophobicContact CG1-CB 3.89Å; I375-D377 HydrophobicContact CG2-CB 4.1Å; D377-A379 VanDerWaalsContact C-N 3.28Å; D377-A379 PolarHBondContact O-N 3.3Å; D377-A379 WeakPolarHBondContact OD2-CA 3.35Å; D377-A379 VanDerWaalsContact OD2-CB 3.23Å; D377-A379 WeakPolarHBondContact OD2-CB 3.46Å; D377-A379 PolarHBondContact OD2-N 2.92Å; D377-I380 HydrophobicContact CB-CB 4.34Å; D377-I380 HydrophobicContact CB-CG1 4.1Å; D377-I380 PolarHBondContact O-N 3.43Å; D377-I380 WeakPolarHBondContact OD2-CG1 3.09Å; D377-I380 PolarHBondContact OD2-N 3.37Å; D377-A381 PolarHBondContact O-N 3.11Å
378P93.6Very high96.5Very high48 Ų4824 Ų2431%0.31213%0.131SC..Hα-helixtrans-60.9-30.6-179.5-27.736.2000114.6Y35 D350 A381 Q382Y35-P378 HydrophobicContact CE1-CG 4.17Å; D350-P378 WeakPolarHBondContact O-CA 3.42Å; D350-P378 WeakPolarHBondContact O-CB 3.41Å; P378-A381 PolarHBondContact O-N 3.36Å; P378-Q382 WeakPolarHBondContact O-CB 3.34Å; P378-Q382 WeakPolarHBondContact O-CG 3.38Å; P378-Q382 PolarHBondContact O-N 3Å
379A93.8Very high96.8Very high52 Ų5226.9 Ų26.943%0.4314%0.144SC..Hα-helixtrans-70.2-37.8179.200000110.8D377 Q382 L383D377-A379 VanDerWaalsContact C-N 3.28Å; D377-A379 PolarHBondContact O-N 3.3Å; D377-A379 WeakPolarHBondContact OD2-CA 3.35Å; D377-A379 VanDerWaalsContact OD2-CB 3.23Å; D377-A379 WeakPolarHBondContact OD2-CB 3.46Å; D377-A379 PolarHBondContact OD2-N 2.92Å; A379-Q382 PolarHBondContact O-N 2.8Å; A379-L383 WeakPolarHBondContact O-CB 3.42Å; A379-L383 PolarHBondContact O-N 3.25Å
380I96.2Very high97.1Very high20 Ų2031.4 Ų31.410%0.10317%0.165CC..Hα-helixtrans-70.3-39.1174-57.3-67.9000111.6F61 V244 I375 D377 Q382 L383 F384F61-I380 HydrophobicContact CE2-CD1 3.99Å; F61-I380 HydrophobicContact CE2-CG2 3.74Å; F61-I380 HydrophobicContact CZ-CG2 3.99Å; V244-I380 HydrophobicContact CG1-CG1 4.15Å; V244-I380 HydrophobicContact CG2-CD1 4.49Å; V244-I380 HydrophobicContact CG2-CG1 4.24Å; I375-I380 HydrophobicContact CD1-CG2 3.96Å; I375-I380 HydrophobicContact CG2-CB 4.05Å; I375-I380 HydrophobicContact CG2-CG1 4.39Å; I375-I380 HydrophobicContact CG2-CG2 4.04Å; D377-I380 HydrophobicContact CB-CB 4.34Å; D377-I380 HydrophobicContact CB-CG1 4.1Å; D377-I380 PolarHBondContact O-N 3.43Å; D377-I380 WeakPolarHBondContact OD2-CG1 3.09Å; D377-I380 PolarHBondContact OD2-N 3.37Å; I380-Q382 PolarHBondContact O-N 3.43Å; I380-L383 WeakPolarHBondContact O-CB 3.41Å; I380-L383 PolarHBondContact O-N 2.95Å; I380-F384 HydrophobicContact CG2-CD1 4.48Å; I380-F384 HydrophobicContact CG2-CE1 4.35Å; I380-F384 PolarHBondContact O-N 2.95Å
381A96.8Very high97.2Very high0 Ų031.7 Ų31.70%017%0.167CC..Hα-helixtrans-61.2-44.2173.100000111.8V347 D350 A353 D377 P378 L383 F384 R385V347-A381 HydrophobicContact CG2-CB 4.07Å; V347-A381 WeakPolarHBondContact CG2-O 3.48Å; D350-A381 WeakPolarHBondContact O-CB 3.29Å; A353-A381 HydrophobicContact CB-CB 4.4Å; D377-A381 PolarHBondContact O-N 3.11Å; P378-A381 PolarHBondContact O-N 3.36Å; A381-L383 VanDerWaalsContact C-N 3.34Å; A381-L383 PolarHBondContact O-N 2.9Å; A381-F384 PolarHBondContact O-N 3.19Å; A381-R385 PolarHBondContact O-N 2.95Å
382Q97.3Very high97.3Very high104 Ų10433.9 Ų33.949%0.48618%0.178SC..Hα-helixtrans-64-36.6174-73.3172.424.600113D350 P378 A379 I380 R385 T386D350-Q382 HydrophobicContact CB-CG 4.02Å; P378-Q382 WeakPolarHBondContact O-CB 3.34Å; P378-Q382 WeakPolarHBondContact O-CG 3.38Å; P378-Q382 PolarHBondContact O-N 3Å; A379-Q382 PolarHBondContact O-N 2.8Å; I380-Q382 PolarHBondContact O-N 3.43Å; Q382-R385 WeakPolarHBondContact O-CB 3.38Å; Q382-R385 PolarHBondContact O-N 3.05Å; Q382-T386 WeakPolarHBondContact O-CB 3.17Å; Q382-T386 PolarHBondContact O-N 3.19Å; Q382-T386 PolarHBondContact O-OG1 2.83Å
383L98.1Very high97.3Very high71 Ų7140.3 Ų40.337%0.37221%0.206SC..Hα-helixtrans-59.7-48.6171.9173.463.4000110.6F61 A379 I380 A381 R385 T386 I387F61-L383 HydrophobicContact CD2-CD2 3.84Å; F61-L383 HydrophobicContact CE2-CD2 4.34Å; A379-L383 WeakPolarHBondContact O-CB 3.42Å; A379-L383 PolarHBondContact O-N 3.25Å; I380-L383 WeakPolarHBondContact O-CB 3.41Å; I380-L383 PolarHBondContact O-N 2.95Å; A381-L383 VanDerWaalsContact C-N 3.34Å; A381-L383 PolarHBondContact O-N 2.9Å; L383-R385 VanDerWaalsContact C-N 3.31Å; L383-R385 PolarHBondContact O-N 3.08Å; L383-T386 WeakPolarHBondContact O-CB 3.4Å; L383-T386 PolarHBondContact O-N 3.25Å; L383-T386 VanDerWaalsContact O-N 3.14Å; L383-I387 HydrophobicContact CD1-CD1 4Å; L383-I387 HydrophobicContact CD1-CG1 4.31Å; L383-I387 HydrophobicContact CG-CD1 3.89Å; L383-I387 VanDerWaalsContact O-CG1 3.29Å; L383-I387 WeakPolarHBondContact O-CG1 3.03Å; L383-I387 PolarHBondContact O-N 2.95Å
384F98.5Very high97.3Very high9 Ų944.8 Ų44.84%0.03923%0.226CC..Hα-helixtrans-64.8-35.8179.2-83.621.5000112.7F61 T195 T345 V347 A353 F355 I380 A381 I387 F388F61-F384 AromaticContact CD1-CE1 3.89Å; F61-F384 HydrophobicContact CD1-CE1 3.89Å; F61-F384 AromaticContact CD1-CZ 3.99Å; F61-F384 HydrophobicContact CD1-CZ 3.99Å; F61-F384 AromaticContact CD2-CE1 3.91Å; F61-F384 HydrophobicContact CD2-CE1 3.91Å; F61-F384 AromaticContact CE1-CE1 3.74Å; F61-F384 HydrophobicContact CE1-CE1 3.74Å; F61-F384 AromaticContact CE1-CZ 3.52Å; F61-F384 HydrophobicContact CE1-CZ 3.52Å; F61-F384 AromaticContact CE2-CE1 3.75Å; F61-F384 HydrophobicContact CE2-CE1 3.75Å; F61-F384 HydrophobicContact CE2-CZ 4.23Å; F61-F384 AromaticContact CG-CE1 3.97Å; F61-F384 HydrophobicContact CG-CE1 3.97Å; F61-F384 AromaticContact CZ-CE1 3.66Å; F61-F384 HydrophobicContact CZ-CE1 3.66Å; F61-F384 AromaticContact CZ-CZ 3.65Å; F61-F384 HydrophobicContact CZ-CZ 3.65Å; T195-F384 HydrophobicContact CG2-CZ 4.3Å; T345-F384 HydrophobicContact CG2-CD2 4.47Å; T345-F384 HydrophobicContact CG2-CE2 4.17Å; V347-F384 HydrophobicContact CB-CB 4.29Å; V347-F384 HydrophobicContact CG2-CB 4.48Å; A353-F384 HydrophobicContact CB-CD2 3.74Å; A353-F384 HydrophobicContact CB-CE2 4.08Å; A353-F384 HydrophobicContact CB-CG 4.37Å; F355-F384 HydrophobicContact CB-CE2 3.93Å; F355-F384 HydrophobicContact CB-CZ 4Å; F355-F384 HydrophobicContact CD1-CZ 4.19Å; F355-F384 HydrophobicContact CG-CZ 4.28Å; I380-F384 HydrophobicContact CG2-CD1 4.48Å; I380-F384 HydrophobicContact CG2-CE1 4.35Å; I380-F384 PolarHBondContact O-N 2.95Å; A381-F384 PolarHBondContact O-N 3.19Å; F384-I387 HydrophobicContact CD1-CD1 4.19Å; F384-I387 PolarHBondContact O-N 3.25Å; F384-F388 WeakPolarHBondContact O-CB 3.42Å; F384-F388 PolarHBondContact O-N 2.99Å
385R98.4Very high97.3Very high68 Ų6845.9 Ų45.926%0.25723%0.234SC..Hα-helixtrans-59.8-48.3169.4163.5158.5-163.6162.73.7112.2W276 D350 A381 Q382 L383 I387 F388 E389W276-R385 HydrophobicContact CE3-CG 4.39Å; W276-R385 HydrophobicContact CH2-CG 4.03Å; W276-R385 HydrophobicContact CZ3-CB 4.23Å; W276-R385 HydrophobicContact CZ3-CG 3.6Å; D350-R385 WeakPolarHBondContact OD1-CD 3.48Å; D350-R385 IonicContact OD1-CZ 2.81Å; D350-R385 IonicContact OD1-NE 3.77Å; D350-R385 IonicContact OD1-NH1 3.74Å; D350-R385 PolarHBondContact OD1-NH1 2.75Å; D350-R385 IonicContact OD2-CZ 3.19Å; D350-R385 IonicContact OD2-NH1 2.88Å; D350-R385 PolarHBondContact OD2-NH1 3.06Å; A381-R385 PolarHBondContact O-N 2.95Å; Q382-R385 WeakPolarHBondContact O-CB 3.38Å; Q382-R385 PolarHBondContact O-N 3.05Å; L383-R385 VanDerWaalsContact C-N 3.31Å; L383-R385 PolarHBondContact O-N 3.08Å; R385-I387 VanDerWaalsContact C-N 3.31Å; R385-I387 PolarHBondContact O-N 2.87Å; R385-F388 WeakPolarHBondContact O-CB 3.29Å; R385-F388 PolarHBondContact O-N 3.1Å; R385-F388 VanDerWaalsContact O-N 3.17Å; R385-E389 IonicContact NE-OE1 3.63Å; R385-E389 PolarHBondContact NE-OE1 2.91Å; R385-E389 IonicContact NH2-OE1 3.99Å; R385-E389 WeakPolarHBondContact O-CG 3.13Å; R385-E389 PolarHBondContact O-N 2.95Å
386T98.5Very high97.3Very high82 Ų8250.3 Ų50.350%0.50326%0.257SS..Hα-helixtrans-60.8-43.8179-57.50000110.7Q382 L383 F388 E389 E390Q382-T386 WeakPolarHBondContact O-CB 3.17Å; Q382-T386 PolarHBondContact O-N 3.19Å; Q382-T386 PolarHBondContact O-OG1 2.83Å; L383-T386 WeakPolarHBondContact O-CB 3.4Å; L383-T386 PolarHBondContact O-N 3.25Å; L383-T386 VanDerWaalsContact O-N 3.14Å; T386-F388 PolarHBondContact O-N 3.01Å; T386-E389 PolarHBondContact O-N 2.87Å; T386-E390 PolarHBondContact O-N 2.83Å
387I98.4Very high97.5Very high20 Ų2053.8 Ų53.810%0.10328%0.275CS..Hα-helixtrans-59.8-45.8174.8-70.1166.8000111L63 L383 F384 R385 E389 E390 D391L63-I387 HydrophobicContact CD1-CD1 4.07Å; L63-I387 HydrophobicContact CD1-CG1 3.95Å; L63-I387 HydrophobicContact CD1-CG2 3.94Å; L63-I387 HydrophobicContact CD2-CD1 4.06Å; L63-I387 HydrophobicContact CD2-CG2 4.32Å; L383-I387 HydrophobicContact CD1-CD1 4Å; L383-I387 HydrophobicContact CD1-CG1 4.31Å; L383-I387 HydrophobicContact CG-CD1 3.89Å; L383-I387 VanDerWaalsContact O-CG1 3.29Å; L383-I387 WeakPolarHBondContact O-CG1 3.03Å; L383-I387 PolarHBondContact O-N 2.95Å; F384-I387 HydrophobicContact CD1-CD1 4.19Å; F384-I387 PolarHBondContact O-N 3.25Å; R385-I387 VanDerWaalsContact C-N 3.31Å; R385-I387 PolarHBondContact O-N 2.87Å; I387-E389 PolarHBondContact O-N 2.6Å; I387-E390 PolarHBondContact O-N 3.18Å; I387-D391 PolarHBondContact O-N 3.36Å
388F98.7Very high97.7Very high3 Ų353.5 Ų53.51%0.01327%0.274CS..Hα-helixtrans-60.8-44.7177.4-172.2-77.1000111.5W276 Q278 R303 M305 F384 R385 T386 E390 D391 M392W276-F388 HydrophobicContact CB-CD2 4.02Å; W276-F388 HydrophobicContact CB-CE2 3.92Å; W276-F388 HydrophobicContact CB-CG 4.37Å; W276-F388 HydrophobicContact CB-CZ 4.19Å; W276-F388 HydrophobicContact CD2-CD1 4.18Å; W276-F388 HydrophobicContact CD2-CE1 4.37Å; W276-F388 HydrophobicContact CE3-CB 3.96Å; W276-F388 AromaticContact CE3-CD1 3.5Å; W276-F388 HydrophobicContact CE3-CD1 3.5Å; W276-F388 HydrophobicContact CE3-CD2 4.47Å; W276-F388 HydrophobicContact CE3-CE1 4.14Å; W276-F388 AromaticContact CE3-CG 3.73Å; W276-F388 HydrophobicContact CE3-CG 3.73Å; W276-F388 HydrophobicContact CZ3-CB 4.36Å; W276-F388 AromaticContact CZ3-CD1 3.93Å; W276-F388 HydrophobicContact CZ3-CD1 3.93Å; W276-F388 HydrophobicContact CZ3-CG 4.37Å; Q278-F388 HydrophobicContact CG-CD2 3.66Å; Q278-F388 HydrophobicContact CG-CE2 3.84Å; R303-F388 HydrophobicContact CB-CE1 4.07Å; R303-F388 HydrophobicContact CB-CZ 3.76Å; M305-F388 HydrophobicContact CB-CE2 3.94Å; M305-F388 HydrophobicContact CB-CZ 4.1Å; M305-F388 HydrophobicContact CE-CD1 4.21Å; M305-F388 HydrophobicContact CE-CD2 4.3Å; M305-F388 HydrophobicContact CE-CE1 4.02Å; M305-F388 HydrophobicContact CE-CE2 4.13Å; M305-F388 HydrophobicContact CE-CG 4.33Å; M305-F388 HydrophobicContact CE-CZ 3.97Å; F384-F388 WeakPolarHBondContact O-CB 3.42Å; F384-F388 PolarHBondContact O-N 2.99Å; R385-F388 WeakPolarHBondContact O-CB 3.29Å; R385-F388 PolarHBondContact O-N 3.1Å; R385-F388 VanDerWaalsContact O-N 3.17Å; T386-F388 PolarHBondContact O-N 3.01Å; F388-E390 VanDerWaalsContact C-N 3.31Å; F388-E390 PolarHBondContact O-N 3.19Å; F388-D391 PolarHBondContact O-N 3.44Å; F388-M392 HydrophobicContact CE1-SD 4.45Å; F388-M392 WeakPolarHBondContact O-CB 3.42Å; F388-M392 PolarHBondContact O-N 2.8Å
389E98.6Very high98Very high68 Ų6853.6 Ų53.632%0.31827%0.273SS..Hα-helixtrans-64.3-35178-74.4173.6171.900112.4W276 R385 T386 I387 M392 K393W276-E389 HydrophobicContact CH2-CG 4.02Å; W276-E389 WeakPolarHBondContact CH2-OE1 3.33Å; W276-E389 HydrophobicContact CZ3-CG 3.8Å; R385-E389 IonicContact NE-OE1 3.63Å; R385-E389 PolarHBondContact NE-OE1 2.91Å; R385-E389 IonicContact NH2-OE1 3.99Å; R385-E389 WeakPolarHBondContact O-CG 3.13Å; R385-E389 PolarHBondContact O-N 2.95Å; T386-E389 PolarHBondContact O-N 2.87Å; I387-E389 PolarHBondContact O-N 2.6Å; E389-M392 HydrophobicContact CG-CE 4.34Å; E389-M392 WeakPolarHBondContact O-CB 3.24Å; E389-M392 PolarHBondContact O-N 3.47Å; E389-K393 PolarHBondContact O-N 3.09Å
390E98.5Very high98.2Very high99 Ų9956.6 Ų56.646%0.46328%0.282SS..Hα-helixtrans-67.4-49.6174.3-162.162-145.200111.4T386 I387 F388 M392 K393T386-E390 PolarHBondContact O-N 2.83Å; I387-E390 PolarHBondContact O-N 3.18Å; F388-E390 VanDerWaalsContact C-N 3.31Å; F388-E390 PolarHBondContact O-N 3.19Å; E390-M392 PolarHBondContact O-N 3.04Å; E390-K393 VanDerWaalsContact CD-NZ 3.25Å; E390-K393 WeakPolarHBondContact O-CB 3.44Å; E390-K393 PolarHBondContact O-N 2.8Å; E390-K393 VanDerWaalsContact O-N 3.11Å; E390-K393 IonicContact OE1-NZ 3.46Å; E390-K393 PolarHBondContact OE1-NZ 2.8Å; E390-K393 VanDerWaalsContact OE1-NZ 3.15Å; E390-K393 WeakPolarHBondContact OE2-CE 3.36Å; E390-K393 IonicContact OE2-NZ 2.91Å; E390-K393 PolarHBondContact OE2-NZ 3.19Å
391D98.6Very high98.3Very high7 Ų762.4 Ų62.44%0.03731%0.309CS..Hα-helixtrans-61.2-32176.3-70-30.2000111.5R193 Q278 M305 Y336 I387 F388 K393 E394 C395R193-D391 IonicContact CZ-OD1 2.75Å; R193-D391 IonicContact CZ-OD2 3.25Å; R193-D391 VanDerWaalsContact CZ-OD2 3.27Å; R193-D391 IonicContact NE-OD1 3.64Å; R193-D391 PolarHBondContact NE-OD1 3.03Å; R193-D391 IonicContact NE-OD2 3.75Å; R193-D391 PolarHBondContact NE-OD2 3.13Å; R193-D391 VanDerWaalsContact NE-OD2 3.08Å; R193-D391 IonicContact NH2-OD1 3.92Å; R193-D391 IonicContact NH2-OD2 2.76Å; R193-D391 PolarHBondContact NH2-OD2 2.78Å; Q278-D391 PolarHBondContact NE2-OD2 2.98Å; M305-D391 HydrophobicContact CE-CB 3.7Å; M305-D391 HydrophobicContact SD-CB 3.69Å; Y336-D391 HydrophobicContact CD2-CB 4.19Å; Y336-D391 HydrophobicContact CE2-CB 3.91Å; I387-D391 PolarHBondContact O-N 3.36Å; F388-D391 PolarHBondContact O-N 3.44Å; D391-K393 PolarHBondContact O-N 3.07Å; D391-E394 PolarHBondContact O-N 3.32Å; D391-E394 VanDerWaalsContact O-N 3.17Å; D391-C395 PolarHBondContact O-SG 3.45Å
392M98.2Very high98.3Very high46 Ų4665.5 Ų65.523%0.22733%0.325CS..Hα-helixtrans-63.8-27.2178.2-175.2179.366.100112.8R303 M305 Y334 F388 E389 E390 E394 C395R303-M392 PolarHBondContact NH1-SD 2.91Å; R303-M392 VanDerWaalsContact NH1-SD 3.35Å; M305-M392 HydrophobicContact CE-CB 4.05Å; Y334-M392 HydrophobicContact CD1-CG 3.62Å; Y334-M392 HydrophobicContact CD1-SD 4.29Å; Y334-M392 HydrophobicContact CE1-CG 3.39Å; Y334-M392 HydrophobicContact CE1-SD 3.54Å; Y334-M392 VanDerWaalsContact CE1-SD 3.54Å; Y334-M392 HydrophobicContact CE2-SD 4.24Å; Y334-M392 HydrophobicContact CG-CG 4.34Å; Y334-M392 VanDerWaalsContact CZ-SD 3.5Å; Y334-M392 PolarHBondContact OH-SD 2.89Å; F388-M392 HydrophobicContact CE1-SD 4.45Å; F388-M392 WeakPolarHBondContact O-CB 3.42Å; F388-M392 PolarHBondContact O-N 2.8Å; E389-M392 HydrophobicContact CG-CE 4.34Å; E389-M392 WeakPolarHBondContact O-CB 3.24Å; E389-M392 PolarHBondContact O-N 3.47Å; E390-M392 PolarHBondContact O-N 3.04Å; M392-E394 PolarHBondContact O-N 2.91Å; M392-C395 WeakPolarHBondContact O-CB 3.36Å; M392-C395 PolarHBondContact O-N 2.89Å; M392-C395 VanDerWaalsContact O-N 3.16Å
393K98.5Very high98.4Very high136 Ų13661.5 Ų61.559%0.59131%0.306SS*.Hα-helixtrans-64.9-28.7176.2-64.7170.2-174.2172.40112.3E389 E390 D391 C395E389-K393 PolarHBondContact O-N 3.09Å; E390-K393 VanDerWaalsContact CD-NZ 3.25Å; E390-K393 WeakPolarHBondContact O-CB 3.44Å; E390-K393 PolarHBondContact O-N 2.8Å; E390-K393 VanDerWaalsContact O-N 3.11Å; E390-K393 IonicContact OE1-NZ 3.46Å; E390-K393 PolarHBondContact OE1-NZ 2.8Å; E390-K393 VanDerWaalsContact OE1-NZ 3.15Å; E390-K393 WeakPolarHBondContact OE2-CE 3.36Å; E390-K393 IonicContact OE2-NZ 2.91Å; E390-K393 PolarHBondContact OE2-NZ 3.19Å; D391-K393 PolarHBondContact O-N 3.07Å; K393-C395 VanDerWaalsContact C-N 3.31Å
394E97.8Very high98.4Very high94 Ų9462 Ų6244%0.43932%0.321SS..THydrogen-bonded Turntrans-92.712.6178.1-56.6-55.1147.100112.5Y336 A337 D338 D391 M392Y336-E394 HydrophobicContact CE2-CB 4.11Å; A337-E394 WeakPolarHBondContact CA-O 3.48Å; A337-E394 WeakPolarHBondContact CB-O 3.3Å; A337-E394 PolarHBondContact N-O 3.09Å; D338-E394 HydrophobicContact CB-CB 3.82Å; D338-E394 HydrophobicContact CB-CG 3.99Å; D391-E394 PolarHBondContact O-N 3.32Å; D391-E394 VanDerWaalsContact O-N 3.17Å; M392-E394 PolarHBondContact O-N 2.91Å
395C98.6Very high98.3Very high24 Ų2467.2 Ų67.216%0.16235%0.349CS..EExtended strand (participates in β ladder)trans-103.1150.9-175.8-69.60000113.5Y334 H335 Y336 D391 M392 K393Y334-C395 HydrophobicContact CD1-CB 3.96Å; Y334-C395 HydrophobicContact CG-CB 4.4Å; H335-C395 CarbonylContact O-C 3.6Å; H335-C395 VanDerWaalsContact O-CA 3.27Å; H335-C395 WeakPolarHBondContact O-CA 3.43Å; Y336-C395 VanDerWaalsContact CA-SG 3.55Å; D391-C395 PolarHBondContact O-SG 3.45Å; M392-C395 WeakPolarHBondContact O-CB 3.36Å; M392-C395 PolarHBondContact O-N 2.89Å; M392-C395 VanDerWaalsContact O-N 3.16Å; K393-C395 VanDerWaalsContact C-N 3.31Å
396I98.3Very high98.3Very high95 Ų9565.3 Ų65.349%0.48734%0.343SS..EExtended strand (participates in β ladder)trans-95.7118.8162.3-58.8171.2000107.8H335 A337 I402H335-I396 PolarHBondContact N-O 3.22Å; H335-I396 PolarHBondContact O-N 2.97Å; A337-I396 HydrophobicContact CB-CG1 4.5Å; I396-I402 HydrophobicContact CG2-CD1 4.06Å
397L98.6Very high98.2Very high76 Ų7664.5 Ų64.540%0.39834%0.341SS..EExtended strand (participates in β ladder)trans-70.4129.3173-177.969.9000109.8K332 I333 Y334 I402K332-L397 HydrophobicContact CB-CD1 4.28Å; I333-L397 WeakPolarHBondContact O-CD1 3.37Å; Y334-L397 HydrophobicContact CD1-CD1 4.01Å; Y334-L397 HydrophobicContact CD2-CD1 4.42Å; Y334-L397 HydrophobicContact CE1-CB 4.45Å; Y334-L397 HydrophobicContact CE1-CD1 3.66Å; Y334-L397 HydrophobicContact CE2-CD1 4.1Å; Y334-L397 HydrophobicContact CG-CD1 4.39Å; L397-I402 WeakPolarHBondContact O-CD1 3.42Å
398L98.5Very high98.1Very high2 Ų272 Ų721%0.0138%0.375CS..PPolyproline II helixtrans-67.6134173.2-172.259.3000109.9A323 H327 I333 I402 I403A323-L398 HydrophobicContact CB-CD2 4.22Å; H327-L398 HydrophobicContact CB-CD2 3.83Å; H327-L398 HydrophobicContact CB-CG 4.39Å; H327-L398 PolarHBondContact CE1-O 2.99Å; H327-L398 PolarHBondContact ND1-O 3.07Å; I333-L398 HydrophobicContact CB-CB 3.87Å; I333-L398 HydrophobicContact CB-CD2 4.01Å; I333-L398 HydrophobicContact CG1-CD2 4.29Å; I333-L398 HydrophobicContact CG2-CB 4.28Å; I333-L398 HydrophobicContact CG2-CD2 4.17Å; I333-L398 PolarHBondContact O-N 3.14Å; L398-I402 HydrophobicContact CD1-CB 4.09Å; L398-I402 HydrophobicContact CD1-CG2 3.61Å; L398-I403 HydrophobicContact CD1-CD1 4.43Å; L398-I403 HydrophobicContact CD1-CG1 3.86Å; L398-I403 HydrophobicContact CD2-CD1 4.11Å; L398-I403 HydrophobicContact CD2-CG1 4.36Å; L398-I403 HydrophobicContact CG-CD1 4.14Å; L398-I403 HydrophobicContact CG-CG1 4.11Å
399T98.5Very high98Very high49 Ų4979.1 Ų79.130%0.30140%0.402SS..  trans-129.2162-179.268.10000111E401 I402 I403T399-E401 PolarHBondContact O-N 3.37Å; T399-I402 HydrophobicContact CG2-CD1 4.38Å; T399-I402 PolarHBondContact O-N 3.45Å; T399-I402 VanDerWaalsContact O-N 3.13Å; T399-I402 WeakPolarHBondContact OG1-CG1 3.42Å; T399-I402 PolarHBondContact OG1-N 3.34Å; T399-I402 VanDerWaalsContact OG1-N 3.15Å; T399-I403 WeakPolarHBondContact O-CG1 3.37Å; T399-I403 PolarHBondContact O-N 2.95Å
400D98.5Very high97.9Very high116 Ų11677.6 Ų77.662%0.6240%0.396SS*.Hα-helixtrans-57.4-36.2174.3-65.8-25.6000111.9H327 I403 A404H327-D400 IonicContact CD2-OD1 3.86Å; H327-D400 PolarHBondContact CD2-OD1 3.22Å; H327-D400 IonicContact CE1-OD1 3.48Å; H327-D400 PolarHBondContact NE2-N 3.33Å; H327-D400 IonicContact NE2-OD1 3.15Å; H327-D400 PolarHBondContact NE2-OD1 3Å; D400-I403 PolarHBondContact O-N 3.39Å; D400-A404 VanDerWaalsContact O-CB 3.28Å; D400-A404 WeakPolarHBondContact O-CB 3.49Å; D400-A404 PolarHBondContact O-N 3.04Å
401E98.4Very high97.8Very high141 Ų14175 Ų7566%0.65939%0.385SS*.Hα-helixtrans-64.2-46.2175.4-178.8179.1-175.500111.9T399 I403 A404 N405T399-E401 PolarHBondContact O-N 3.37Å; E401-I403 VanDerWaalsContact C-N 3.27Å; E401-I403 PolarHBondContact O-N 3.39Å; E401-A404 PolarHBondContact O-N 3.16Å; E401-N405 WeakPolarHBondContact CG-ND2 3.41Å; E401-N405 WeakPolarHBondContact O-CB 3.38Å; E401-N405 PolarHBondContact O-N 3.33Å; E401-N405 PolarHBondContact O-ND2 3.11Å
402I97.8Very high97.8Very high66 Ų6680.1 Ų80.134%0.33841%0.407SS..Hα-helixtrans-59-42.7176.7-69.9167.8000110.1I396 L397 L398 T399 Q406I396-I402 HydrophobicContact CG2-CD1 4.06Å; L397-I402 WeakPolarHBondContact O-CD1 3.42Å; L398-I402 HydrophobicContact CD1-CB 4.09Å; L398-I402 HydrophobicContact CD1-CG2 3.61Å; T399-I402 HydrophobicContact CG2-CD1 4.38Å; T399-I402 PolarHBondContact O-N 3.45Å; T399-I402 VanDerWaalsContact O-N 3.13Å; T399-I402 WeakPolarHBondContact OG1-CG1 3.42Å; T399-I402 PolarHBondContact OG1-N 3.34Å; T399-I402 VanDerWaalsContact OG1-N 3.15Å; I402-Q406 WeakPolarHBondContact O-CG 3.47Å
403I98.1Very high97.7Very high19 Ų1981.6 Ų81.610%0.09741%0.413CS..Hα-helixtrans-66.8-46.1178.5-63.1176.6000111.2N324 H327 L398 T399 D400 E401 N405 Q406N324-I403 HydrophobicContact CB-CD1 4.12Å; H327-I403 HydrophobicContact CB-CD1 4.21Å; H327-I403 WeakPolarHBondContact CD2-CD1 3.42Å; L398-I403 HydrophobicContact CD1-CD1 4.43Å; L398-I403 HydrophobicContact CD1-CG1 3.86Å; L398-I403 HydrophobicContact CD2-CD1 4.11Å; L398-I403 HydrophobicContact CD2-CG1 4.36Å; L398-I403 HydrophobicContact CG-CD1 4.14Å; L398-I403 HydrophobicContact CG-CG1 4.11Å; T399-I403 WeakPolarHBondContact O-CG1 3.37Å; T399-I403 PolarHBondContact O-N 2.95Å; D400-I403 PolarHBondContact O-N 3.39Å; E401-I403 VanDerWaalsContact C-N 3.27Å; E401-I403 PolarHBondContact O-N 3.39Å; I403-N405 PolarHBondContact O-N 2.97Å; I403-Q406 WeakPolarHBondContact O-CB 3.35Å; I403-Q406 WeakPolarHBondContact O-CG 2.98Å; I403-Q406 PolarHBondContact O-N 3.27Å; I403-Q406 VanDerWaalsContact O-N 3.1Å
404A97.5Very high97.6Very high81 Ų8175.2 Ų75.267%0.66939%0.385SS*.Hα-helixtrans-62-33179.900000112.6D400 E401 Q406D400-A404 VanDerWaalsContact O-CB 3.28Å; D400-A404 WeakPolarHBondContact O-CB 3.49Å; D400-A404 PolarHBondContact O-N 3.04Å; E401-A404 PolarHBondContact O-N 3.16Å; A404-Q406 VanDerWaalsContact C-N 3.28Å; A404-Q406 PolarHBondContact O-N 2.68Å
405N97.8Very high97.5Very high120 Ų12078.9 Ų78.964%0.64240%0.395SS*.THydrogen-bonded Turntrans-80.5-1.3178-72.1-31.5000114E401 I403 S407E401-N405 WeakPolarHBondContact CG-ND2 3.41Å; E401-N405 WeakPolarHBondContact O-CB 3.38Å; E401-N405 PolarHBondContact O-N 3.33Å; E401-N405 PolarHBondContact O-ND2 3.11Å; I403-N405 PolarHBondContact O-N 2.97Å; N405-S407 PolarHBondContact O-N 2.96Å
406Q97.2Very high97.4Very high27 Ų2782.3 Ų82.313%0.12641%0.407CS..SBendtrans-68.9125.7176.5-65.3179.16.600111N324 I402 I403 A404 L410 N411N324-Q406 PolarHBondContact ND2-OE1 3.29Å; N324-Q406 PolarHBondContact OD1-NE2 2.85Å; I402-Q406 WeakPolarHBondContact O-CG 3.47Å; I403-Q406 WeakPolarHBondContact O-CB 3.35Å; I403-Q406 WeakPolarHBondContact O-CG 2.98Å; I403-Q406 PolarHBondContact O-N 3.27Å; I403-Q406 VanDerWaalsContact O-N 3.1Å; A404-Q406 VanDerWaalsContact C-N 3.28Å; A404-Q406 PolarHBondContact O-N 2.68Å; Q406-L410 HydrophobicContact CB-CD2 4.08Å; Q406-L410 HydrophobicContact CG-CD2 4Å; Q406-N411 PolarHBondContact O-ND2 3.43Å
407S97.2Very high97.3Very high66 Ų6678 Ų7846%0.46239%0.385SS..  trans-56.7151.417969.20000113N405 W409 L410 N411N405-S407 PolarHBondContact O-N 2.96Å; S407-W409 PolarHBondContact O-N 3.21Å; S407-W409 VanDerWaalsContact O-N 3.15Å; S407-L410 PolarHBondContact O-N 2.88Å; S407-L410 WeakPolarHBondContact OG-CB 3.42Å; S407-L410 PolarHBondContact OG-N 3.34Å; S407-L410 VanDerWaalsContact OG-N 3.09Å; S407-N411 PolarHBondContact O-N 3.3Å; S407-N411 PolarHBondContact O-ND2 3.23Å
408H96.4Very high97.1Very high176 Ų17679.2 Ų79.282%0.81538%0.384SS*.Hα-helixtrans-54.6-34.1173-66.6-60.1000112.6F412H408-F412 WeakPolarHBondContact O-CB 3.29Å; H408-F412 PolarHBondContact O-N 3.46Å
409W97.3Very high96.9Very high154 Ų15484.5 Ų84.558%0.58341%0.412SS*.Hα-helixtrans-69-40.8176.9-179.2-130.4000113.1S407 F412 K413S407-W409 PolarHBondContact O-N 3.21Å; S407-W409 VanDerWaalsContact O-N 3.15Å; W409-F412 HydrophobicContact CE3-CB 4.36Å; W409-F412 AromaticContact CE3-CD1 3.76Å; W409-F412 HydrophobicContact CE3-CD1 3.76Å; W409-F412 HydrophobicContact CE3-CG 4.35Å; W409-F412 HydrophobicContact CH2-CD1 4.16Å; W409-F412 HydrophobicContact CH2-CE1 4.22Å; W409-F412 AromaticContact CZ3-CD1 3.37Å; W409-F412 HydrophobicContact CZ3-CD1 3.37Å; W409-F412 AromaticContact CZ3-CE1 3.71Å; W409-F412 HydrophobicContact CZ3-CE1 3.71Å; W409-F412 HydrophobicContact CZ3-CG 4.27Å; W409-F412 PolarHBondContact O-N 3.39Å; W409-K413 WeakPolarHBondContact O-CG 3.41Å; W409-K413 PolarHBondContact O-N 3.2Å
410L96.4Very high96.5Very high35 Ų3584.7 Ų84.718%0.18341%0.411CS..Hα-helixtrans-64.6-45.5173.9177.658.1000110.9Q406 S407 F412 K413 Q414Q406-L410 HydrophobicContact CB-CD2 4.08Å; Q406-L410 HydrophobicContact CG-CD2 4Å; S407-L410 PolarHBondContact O-N 2.88Å; S407-L410 WeakPolarHBondContact OG-CB 3.42Å; S407-L410 PolarHBondContact OG-N 3.34Å; S407-L410 VanDerWaalsContact OG-N 3.09Å; L410-F412 VanDerWaalsContact C-N 3.29Å; L410-F412 PolarHBondContact O-N 2.94Å; L410-K413 PolarHBondContact O-N 2.82Å; L410-K413 VanDerWaalsContact O-N 3.13Å; L410-Q414 HydrophobicContact CD1-CG 4.31Å; L410-Q414 WeakPolarHBondContact O-CG 3.48Å; L410-Q414 PolarHBondContact O-N 3.46Å
411N96.3Very high96.1Very high46 Ų4679.3 Ų79.325%0.24638%0.382CS..Hα-helixtrans-56.7-42.2174.7-82.7-58.1000112.2Q406 S407 Q414 R415Q406-N411 PolarHBondContact O-ND2 3.43Å; S407-N411 PolarHBondContact O-N 3.3Å; S407-N411 PolarHBondContact O-ND2 3.23Å; N411-Q414 PolarHBondContact O-N 2.83Å; N411-R415 WeakPolarHBondContact O-CG 3.19Å; N411-R415 PolarHBondContact O-N 2.92Å
412F97.3Very high95.5Very high113 Ų11376.4 Ų76.450%0.49638%0.376SS..Hα-helixtrans-60-49.2173.8172.8-96.5000111.7H408 W409 L410 Q414 R415 F416H408-F412 WeakPolarHBondContact O-CB 3.29Å; H408-F412 PolarHBondContact O-N 3.46Å; W409-F412 HydrophobicContact CE3-CB 4.36Å; W409-F412 AromaticContact CE3-CD1 3.76Å; W409-F412 HydrophobicContact CE3-CD1 3.76Å; W409-F412 HydrophobicContact CE3-CG 4.35Å; W409-F412 HydrophobicContact CH2-CD1 4.16Å; W409-F412 HydrophobicContact CH2-CE1 4.22Å; W409-F412 AromaticContact CZ3-CD1 3.37Å; W409-F412 HydrophobicContact CZ3-CD1 3.37Å; W409-F412 AromaticContact CZ3-CE1 3.71Å; W409-F412 HydrophobicContact CZ3-CE1 3.71Å; W409-F412 HydrophobicContact CZ3-CG 4.27Å; W409-F412 PolarHBondContact O-N 3.39Å; L410-F412 VanDerWaalsContact C-N 3.29Å; L410-F412 PolarHBondContact O-N 2.94Å; F412-Q414 PolarHBondContact O-N 3.02Å; F412-R415 PolarHBondContact O-N 3.03Å; F412-F416 WeakPolarHBondContact O-CB 3.36Å; F412-F416 PolarHBondContact O-N 3.13Å
413K96.9Very high94.8Very high78 Ų7877.5 Ų77.534%0.33939%0.386SS..Hα-helixtrans-59.7-43.7178.4-72.6-178.4-179.8176.50112.7R317 W409 L410 F416 S417R317-K413 HydrophobicContact CG-CB 4.41Å; W409-K413 WeakPolarHBondContact O-CG 3.41Å; W409-K413 PolarHBondContact O-N 3.2Å; L410-K413 PolarHBondContact O-N 2.82Å; L410-K413 VanDerWaalsContact O-N 3.13Å; K413-F416 PolarHBondContact O-N 3.16Å; K413-S417 WeakPolarHBondContact O-CB 3.42Å; K413-S417 PolarHBondContact O-N 2.93Å; K413-S417 PolarHBondContact O-OG 3.22Å
414Q96.8Very high94Very high2 Ų278 Ų781%0.00939%0.388CS..Hα-helixtrans-59.5-49.8177.1-74.7170-4.900111.3Q320 N324 L410 N411 F412 F416 S417 R418Q320-Q414 HydrophobicContact CB-CG 4.1Å; N324-Q414 PolarHBondContact ND2-OE1 2.71Å; L410-Q414 HydrophobicContact CD1-CG 4.31Å; L410-Q414 WeakPolarHBondContact O-CG 3.48Å; L410-Q414 PolarHBondContact O-N 3.46Å; N411-Q414 PolarHBondContact O-N 2.83Å; F412-Q414 PolarHBondContact O-N 3.02Å; Q414-F416 VanDerWaalsContact C-N 3.35Å; Q414-F416 PolarHBondContact O-N 3.07Å; Q414-S417 PolarHBondContact O-N 2.65Å; Q414-R418 PolarHBondContact O-N 2.8Å
415R95.7Very high93.9Very high170 Ų17077.8 Ų77.864%0.64237%0.374SS*.Hα-helixtrans-64.4-38.3178.5-70.9178.2-179.1-153.20.5112.7Y321 N411 F412 R418Y321-R415 HydrophobicContact CE2-CG 4.46Å; N411-R415 WeakPolarHBondContact O-CG 3.19Å; N411-R415 PolarHBondContact O-N 2.92Å; F412-R415 PolarHBondContact O-N 3.03Å; R415-R418 WeakPolarHBondContact O-CB 3.11Å
416F96.3Very high93.7Very high97 Ų9775.6 Ų75.643%0.42536%0.36SS..Hα-helixtrans-66.1-49.7175.5-179.1-94.9000111.1F314 F412 K413 Q414 R418 L419 L420F314-F416 HydrophobicContact CE1-CE1 4.35Å; F412-F416 WeakPolarHBondContact O-CB 3.36Å; F412-F416 PolarHBondContact O-N 3.13Å; K413-F416 PolarHBondContact O-N 3.16Å; Q414-F416 VanDerWaalsContact C-N 3.35Å; Q414-F416 PolarHBondContact O-N 3.07Å; F416-R418 VanDerWaalsContact C-N 3.25Å; F416-R418 PolarHBondContact O-N 2.87Å; F416-L419 VanDerWaalsContact O-CB 3.32Å; F416-L419 WeakPolarHBondContact O-CB 3.04Å; F416-L419 PolarHBondContact O-N 3.47Å; F416-L420 HydrophobicContact CE1-CD1 4.08Å
417S95.9Very high93.5Very high3 Ų378.3 Ų78.32%0.02137%0.373CS..Hα-helixtrans-59.9-33.4177.5-76.30000113F314 R317 K413 Q414 L419 L420 S421 L424F314-S417 WeakPolarHBondContact O-CB 3.47Å; F314-S417 PolarHBondContact O-OG 3.14Å; R317-S417 WeakPolarHBondContact CB-OG 3.34Å; K413-S417 WeakPolarHBondContact O-CB 3.42Å; K413-S417 PolarHBondContact O-N 2.93Å; K413-S417 PolarHBondContact O-OG 3.22Å; Q414-S417 PolarHBondContact O-N 2.65Å; S417-L419 PolarHBondContact O-N 2.67Å; S417-L420 WeakPolarHBondContact O-CA 3.08Å; S417-L420 WeakPolarHBondContact O-CB 3.3Å; S417-L420 PolarHBondContact O-N 3.41Å; S417-S421 PolarHBondContact O-N 2.82Å; S417-L424 WeakPolarHBondContact O-CD1 3.47Å
418R93.8Very high93.2Very high102 Ų10279 Ų7939%0.38537%0.367SS..Hα-helixtrans-58-33.5172.4-173-163.177.6103-2.8113Y321 Y322 Q414 R415 F416 L420 S421Y321-R418 HydrophobicContact CD1-CB 4.12Å; Y321-R418 HydrophobicContact CD1-CG 3.74Å; Y321-R418 HydrophobicContact CE1-CB 4.47Å; Y321-R418 HydrophobicContact CE1-CG 3.73Å; Y321-R418 HydrophobicContact CG-CB 4.16Å; Y321-R418 HydrophobicContact CG-CG 4.27Å; Y321-R418 WeakPolarHBondContact OH-CD 3.39Å; Y322-R418 HydrophobicContact CE2-CG 4.37Å; Q414-R418 PolarHBondContact O-N 2.8Å; R415-R418 WeakPolarHBondContact O-CB 3.11Å; F416-R418 VanDerWaalsContact C-N 3.25Å; F416-R418 PolarHBondContact O-N 2.87Å; R418-L420 PolarHBondContact O-N 2.81Å; R418-S421 VanDerWaalsContact O-CB 3.28Å; R418-S421 WeakPolarHBondContact O-CB 3.17Å; R418-S421 PolarHBondContact O-N 2.99Å; R418-S421 VanDerWaalsContact O-N 3.13Å; R418-S421 PolarHBondContact O-OG 2.81Å
419L94.1Very high93Very high114 Ų11472.9 Ų72.960%0.59734%0.339SS*.Hα-helixtrans-66.9-20.1176.7-59174.8000112.3F416 S417F416-L419 VanDerWaalsContact O-CB 3.32Å; F416-L419 WeakPolarHBondContact O-CB 3.04Å; F416-L419 PolarHBondContact O-N 3.47Å; S417-L419 PolarHBondContact O-N 2.67Å
420L91.4Very high92.8Very high52 Ų5267.5 Ų67.527%0.27232%0.323SS..THydrogen-bonded Turntrans-90.7-4.9177.1-53.5177.4000112.3F314 F416 S417 R418 P422 V423 L424F314-L420 HydrophobicContact CB-CD1 4.36Å; F314-L420 HydrophobicContact CD1-CD1 3.88Å; F314-L420 HydrophobicContact CE1-CD1 4.31Å; F314-L420 HydrophobicContact CG-CD1 4.03Å; F416-L420 HydrophobicContact CE1-CD1 4.08Å; S417-L420 WeakPolarHBondContact O-CA 3.08Å; S417-L420 WeakPolarHBondContact O-CB 3.3Å; S417-L420 PolarHBondContact O-N 3.41Å; R418-L420 PolarHBondContact O-N 2.81Å; L420-P422 VanDerWaalsContact C-N 3.3Å; L420-V423 HydrophobicContact CB-CG2 4.34Å; L420-V423 WeakPolarHBondContact O-CG2 3.34Å; L420-V423 PolarHBondContact O-N 3.46Å; L420-L424 HydrophobicContact CB-CD1 4Å; L420-L424 HydrophobicContact CB-CD2 4.15Å; L420-L424 HydrophobicContact CB-CG 3.84Å; L420-L424 WeakPolarHBondContact O-CG 3.43Å; L420-L424 PolarHBondContact O-N 3.3Å
421S90.3Very high92.5Very high3 Ų369.9 Ų69.92%0.02133%0.333CS..G310 helixtrans-44.7-42.8-175.1-73.80000115.6V283 Y322 S417 R418 V423 L424V283-S421 VanDerWaalsContact CG1-OG 3.24Å; V283-S421 WeakPolarHBondContact CG1-OG 3.49Å; Y322-S421 WeakPolarHBondContact CE2-OG 3.21Å; Y322-S421 PolarHBondContact OH-OG 3.45Å; S417-S421 PolarHBondContact O-N 2.82Å; R418-S421 VanDerWaalsContact O-CB 3.28Å; R418-S421 WeakPolarHBondContact O-CB 3.17Å; R418-S421 PolarHBondContact O-N 2.99Å; R418-S421 VanDerWaalsContact O-N 3.13Å; R418-S421 PolarHBondContact O-OG 2.81Å; S421-V423 PolarHBondContact O-N 3.32Å; S421-V423 VanDerWaalsContact O-N 3.1Å; S421-L424 PolarHBondContact O-N 3.03Å
422P86Confident92.2Very high80 Ų8071.7 Ų71.752%0.51934%0.34SS..G310 helixtrans-64.6-14-180-23.535.3000115.5L420L420-P422 VanDerWaalsContact C-N 3.3Å
423V81.7Confident91.8Very high90 Ų9068.3 Ų68.355%0.54533%0.327SS..G310 helixtrans-121.1-2.3-177.4-59.90000113.7L420 S421L420-V423 HydrophobicContact CB-CG2 4.34Å; L420-V423 WeakPolarHBondContact O-CG2 3.34Å; L420-V423 PolarHBondContact O-N 3.46Å; S421-V423 PolarHBondContact O-N 3.32Å; S421-V423 VanDerWaalsContact O-N 3.1Å
424L82.7Confident91.3Very high28 Ų2867.4 Ų67.415%0.14733%0.326CS..  trans-77.20-176.2-77.5177.5000113.1F314 A318 R363 S417 L420 S421F314-L424 HydrophobicContact CB-CD1 4.49Å; F314-L424 HydrophobicContact CB-CD2 3.45Å; F314-L424 VanDerWaalsContact CB-CD2 3.45Å; F314-L424 HydrophobicContact CG-CD2 4.47Å; A318-L424 HydrophobicContact CB-CD1 3.61Å; R363-L424 WeakPolarHBondContact CB-O 3.48Å; R363-L424 WeakPolarHBondContact CD-O 3.3Å; S417-L424 WeakPolarHBondContact O-CD1 3.47Å; L420-L424 HydrophobicContact CB-CD1 4Å; L420-L424 HydrophobicContact CB-CD2 4.15Å; L420-L424 HydrophobicContact CB-CG 3.84Å; L420-L424 WeakPolarHBondContact O-CG 3.43Å; L420-L424 PolarHBondContact O-N 3.3Å; S421-L424 PolarHBondContact O-N 3.03Å

Retrieved 424 of 424 residues in 2265.8 ms (Link to these results)

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