A0A087WSB2_MOUSE Loading...

Leucine rich repeat containing 28

AlphaFold DB , UniProt , Accession A0A087WSB2, Species MOUSE (Mus musculus, Mouse), Gene Lrrc28, Length 159 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
1M61Low86.4Confident154 Ų15470.1 Ų70.176%0.75940%0.402SS*.  0-60.40-82-175.8-82.300113S3 E4 I5 N26M1-S3 VanDerWaalsContact C-N 3.34Å; M1-S3 PolarHBondContact O-N 2.74Å; M1-E4 PolarHBondContact O-N 2.83Å; M1-E4 VanDerWaalsContact O-N 3.08Å; M1-I5 PolarHBondContact O-N 3.45Å; M1-N26 HydrophobicContact SD-CB 4.45Å
2A67.5Low87.2Confident74 Ų7464.4 Ų64.461%0.61237%0.37SS*.Hα-helixtrans-53.6-43.5-177.200000114.4E4 I5 C6A2-E4 VanDerWaalsContact C-N 3.3Å; A2-E4 PolarHBondContact O-N 2.97Å; A2-I5 PolarHBondContact O-N 3.3Å; A2-C6 PolarHBondContact O-N 3.36Å; A2-C6 VanDerWaalsContact O-N 3.08Å; A2-C6 PolarHBondContact O-SG 3.48Å
3S77.9Confident87.7Confident79 Ų7964.8 Ų64.855%0.55236%0.362SS*.Hα-helixtrans-60.6-34.2178.8-179.70000113.9M1 K7M1-S3 VanDerWaalsContact C-N 3.34Å; M1-S3 PolarHBondContact O-N 2.74Å; S3-K7 VanDerWaalsContact O-CG 3.32Å; S3-K7 WeakPolarHBondContact O-CG 3.3Å; S3-K7 PolarHBondContact O-N 3.48Å; S3-K7 VanDerWaalsContact O-N 3.15Å
4E87.8Confident88.3Confident103 Ų10370.5 Ų70.548%0.48139%0.39SS..Hα-helixtrans-77.9-37.2-177.4-162.7-165.4140.300111.9M1 A2 K7 T8 R25M1-E4 PolarHBondContact O-N 2.83Å; M1-E4 VanDerWaalsContact O-N 3.08Å; A2-E4 VanDerWaalsContact C-N 3.3Å; A2-E4 PolarHBondContact O-N 2.97Å; E4-K7 PolarHBondContact O-N 3.25Å; E4-T8 WeakPolarHBondContact O-CB 3.43Å; E4-T8 PolarHBondContact O-N 3.45Å; E4-T8 PolarHBondContact O-OG1 3.25Å; E4-R25 VanDerWaalsContact CD-NH1 3.35Å; E4-R25 IonicContact OE1-CZ 3.8Å; E4-R25 IonicContact OE1-NH1 3.88Å; E4-R25 PolarHBondContact OE1-NH1 3.07Å; E4-R25 IonicContact OE1-NH2 2.83Å; E4-R25 IonicContact OE2-NH1 3.9Å
5I91.1Very high88.8Confident13 Ų1374.1 Ų74.17%0.06740%0.403CS..Hα-helixtrans-63.6-47173.9-67.2151.5000109.7M1 A2 K7 T8 I9 L27 P31M1-I5 PolarHBondContact O-N 3.45Å; A2-I5 PolarHBondContact O-N 3.3Å; I5-K7 VanDerWaalsContact C-N 3.31Å; I5-K7 PolarHBondContact O-N 2.93Å; I5-T8 PolarHBondContact O-N 3.08Å; I5-I9 HydrophobicContact CG2-CD1 3.59Å; I5-I9 HydrophobicContact CG2-CG1 4.32Å; I5-I9 VanDerWaalsContact O-CG1 3.29Å; I5-I9 WeakPolarHBondContact O-CG1 3.2Å; I5-I9 PolarHBondContact O-N 3.15Å; I5-L27 HydrophobicContact CD1-CD2 3.4Å; I5-L27 VanDerWaalsContact CD1-CD2 3.4Å; I5-L27 HydrophobicContact CG1-CD2 4.41Å; I5-P31 HydrophobicContact CG2-CB 4.2Å
6C91.6Very high89.3Confident45 Ų4577.6 Ų77.630%0.30441%0.413SS..Hα-helixtrans-56.4-46.1175.6-66.10000111.5A2 T8 I9 S10A2-C6 PolarHBondContact O-N 3.36Å; A2-C6 VanDerWaalsContact O-N 3.08Å; A2-C6 PolarHBondContact O-SG 3.48Å; C6-T8 PolarHBondContact O-N 2.74Å; C6-I9 PolarHBondContact O-N 2.93Å; C6-S10 WeakPolarHBondContact O-CB 3.3Å; C6-S10 PolarHBondContact O-N 3.08Å; C6-S10 PolarHBondContact O-OG 3.23Å
7K93.5Very high89.9Confident140 Ų14077 Ų7761%0.60941%0.407SS*.Hα-helixtrans-60-47176.2-73.8174.6-176.1-175.40112S3 E4 I5 I9 S10 V11S3-K7 VanDerWaalsContact O-CG 3.32Å; S3-K7 WeakPolarHBondContact O-CG 3.3Å; S3-K7 PolarHBondContact O-N 3.48Å; S3-K7 VanDerWaalsContact O-N 3.15Å; E4-K7 PolarHBondContact O-N 3.25Å; I5-K7 VanDerWaalsContact C-N 3.31Å; I5-K7 PolarHBondContact O-N 2.93Å; K7-I9 VanDerWaalsContact C-N 3.34Å; K7-I9 PolarHBondContact O-N 3.09Å; K7-S10 PolarHBondContact O-N 3.34Å; K7-V11 WeakPolarHBondContact O-CG2 3.47Å; K7-V11 PolarHBondContact O-N 2.97Å
8T95Very high90.3Very high41 Ų4178.9 Ų78.925%0.25241%0.411SS..Hα-helixtrans-59.1-45.6179.4-54.50000111.2E4 I5 C6 V11 A12 L20 L22E4-T8 WeakPolarHBondContact O-CB 3.43Å; E4-T8 PolarHBondContact O-N 3.45Å; E4-T8 PolarHBondContact O-OG1 3.25Å; I5-T8 PolarHBondContact O-N 3.08Å; C6-T8 PolarHBondContact O-N 2.74Å; T8-V11 PolarHBondContact O-N 2.71Å; T8-A12 WeakPolarHBondContact O-CB 3.43Å; T8-A12 PolarHBondContact O-N 3Å; T8-L20 HydrophobicContact CG2-CD1 3.89Å; T8-L22 HydrophobicContact CG2-CD2 4.43Å
9I95.1Very high90.8Very high1 Ų178.1 Ų78.11%0.00541%0.407CS..Hα-helixtrans-65.6-43.2178.5-66.7168.8000111I5 C6 K7 A12 R13 P31 E33 L34 L40I5-I9 HydrophobicContact CG2-CD1 3.59Å; I5-I9 HydrophobicContact CG2-CG1 4.32Å; I5-I9 VanDerWaalsContact O-CG1 3.29Å; I5-I9 WeakPolarHBondContact O-CG1 3.2Å; I5-I9 PolarHBondContact O-N 3.15Å; C6-I9 PolarHBondContact O-N 2.93Å; K7-I9 VanDerWaalsContact C-N 3.34Å; K7-I9 PolarHBondContact O-N 3.09Å; I9-A12 PolarHBondContact O-N 3.1Å; I9-R13 WeakPolarHBondContact O-CB 3.47Å; I9-R13 PolarHBondContact O-N 3.03Å; I9-P31 HydrophobicContact CD1-CB 4.06Å; I9-P31 HydrophobicContact CD1-CG 4.38Å; I9-E33 HydrophobicContact CD1-CB 3.71Å; I9-E33 HydrophobicContact CG2-CB 4.31Å; I9-L34 HydrophobicContact CB-CD2 4.49Å; I9-L34 HydrophobicContact CD1-CD2 3.96Å; I9-L34 HydrophobicContact CD1-CG 3.91Å; I9-L34 HydrophobicContact CG1-CD2 3.78Å; I9-L34 HydrophobicContact CG1-CG 4.31Å; I9-L34 HydrophobicContact CG2-CD2 3.99Å; I9-L40 HydrophobicContact CG2-CD1 4.25Å
10S94.4Very high91.1Very high58 Ų5874.5 Ų74.541%0.40639%0.389SS..Hα-helixtrans-61.7-44.3177.7-66.80000112.1C6 K7 R13 L14C6-S10 WeakPolarHBondContact O-CB 3.3Å; C6-S10 PolarHBondContact O-N 3.08Å; C6-S10 PolarHBondContact O-OG 3.23Å; K7-S10 PolarHBondContact O-N 3.34Å; S10-R13 PolarHBondContact O-N 2.85Å; S10-L14 WeakPolarHBondContact O-CG 3.46Å; S10-L14 PolarHBondContact O-N 3.3Å
11V95.3Very high91.5Very high63 Ų6376.5 Ų76.538%0.38240%0.395SS..Hα-helixtrans-61.9-48.8175.5171.60000110.3K7 T8 R13 L14 E15K7-V11 WeakPolarHBondContact O-CG2 3.47Å; K7-V11 PolarHBondContact O-N 2.97Å; T8-V11 PolarHBondContact O-N 2.71Å; V11-R13 PolarHBondContact O-N 3.13Å; V11-L14 PolarHBondContact O-N 2.78Å; V11-E15 HydrophobicContact CG1-CG 4.29Å; V11-E15 WeakPolarHBondContact O-CB 3.37Å; V11-E15 PolarHBondContact O-N 3.23Å
12A96.1Very high93.2Very high2 Ų269.2 Ų69.22%0.01736%0.359CS..Hα-helixtrans-58.6-36.4178.600000112.9T8 I9 K16 H17 L20 L40T8-A12 WeakPolarHBondContact O-CB 3.43Å; T8-A12 PolarHBondContact O-N 3Å; I9-A12 PolarHBondContact O-N 3.1Å; A12-K16 WeakPolarHBondContact O-CA 3.38Å; A12-K16 PolarHBondContact O-N 3.33Å; A12-K16 VanDerWaalsContact O-N 3.08Å; A12-H17 HydrophobicContact CB-CB 4.06Å; A12-H17 PolarHBondContact O-N 3.45Å; A12-L20 HydrophobicContact CB-CD1 4.03Å; A12-L40 HydrophobicContact CB-CD2 4.03Å
13R94.5Very high94.6Very high70 Ų7067 Ų6726%0.26434%0.337SS..Hα-helixtrans-68.5-50.2175.2-176.2177.1-67.9131.88111.9I9 S10 V11 K16 E33 G39I9-R13 WeakPolarHBondContact O-CB 3.47Å; I9-R13 PolarHBondContact O-N 3.03Å; S10-R13 PolarHBondContact O-N 2.85Å; V11-R13 PolarHBondContact O-N 3.13Å; R13-K16 PolarHBondContact O-N 2.74Å; R13-E33 PolarHBondContact NH2-O 3.2Å; R13-G39 PolarHBondContact NE-O 3.42Å
14L95.1Very high95.5Very high144 Ų14469.3 Ų69.375%0.75433%0.334SS*.Hα-helixtrans-63.5-43.2-178.2-72.8170.7000111.9S10 V11 K16S10-L14 WeakPolarHBondContact O-CG 3.46Å; S10-L14 PolarHBondContact O-N 3.3Å; V11-L14 PolarHBondContact O-N 2.78Å; L14-K16 VanDerWaalsContact C-N 3.31Å
15E96.8Very high95.8Very high125 Ų12567.5 Ų67.558%0.58432%0.323SS*.THydrogen-bonded Turntrans-89.33.8-177.7-63.5-176.7-175.500113.3V11 H17V11-E15 HydrophobicContact CG1-CG 4.29Å; V11-E15 WeakPolarHBondContact O-CB 3.37Å; V11-E15 PolarHBondContact O-N 3.23Å; E15-H17 VanDerWaalsContact C-N 3.3Å; E15-H17 WeakPolarHBondContact CB-NE2 3.46Å; E15-H17 PolarHBondContact O-N 2.69Å; E15-H17 IonicContact OE2-CD2 3.69Å; E15-H17 IonicContact OE2-CE1 3.75Å; E15-H17 PolarHBondContact OE2-CE1 2.72Å; E15-H17 IonicContact OE2-NE2 2.74Å; E15-H17 PolarHBondContact OE2-NE2 3Å
16K96.8Very high96Very high130 Ų13071.9 Ų71.957%0.56535%0.347SS*.THydrogen-bonded Turntrans54.844.2175.4-58.4178.5171.2-176.80112.7A12 R13 L14 K18 H42A12-K16 WeakPolarHBondContact O-CA 3.38Å; A12-K16 PolarHBondContact O-N 3.33Å; A12-K16 VanDerWaalsContact O-N 3.08Å; R13-K16 PolarHBondContact O-N 2.74Å; L14-K16 VanDerWaalsContact C-N 3.31Å; K16-K18 PolarHBondContact O-N 3.3Å; K16-H42 HydrophobicContact CB-CB 3.96Å; K16-H42 WeakPolarHBondContact CD-NE2 3.2Å; K16-H42 VanDerWaalsContact CG-CD2 3.46Å; K16-H42 WeakPolarHBondContact CG-CD2 3.37Å
17H98.3Very high96.2Very high67 Ų6770.6 Ų70.631%0.3134%0.336SS..  trans-61.6137.1-178.9-71.7178.4000111.2A12 E15A12-H17 HydrophobicContact CB-CB 4.06Å; A12-H17 PolarHBondContact O-N 3.45Å; E15-H17 VanDerWaalsContact C-N 3.3Å; E15-H17 WeakPolarHBondContact CB-NE2 3.46Å; E15-H17 PolarHBondContact O-N 2.69Å; E15-H17 IonicContact OE2-CD2 3.69Å; E15-H17 IonicContact OE2-CE1 3.75Å; E15-H17 PolarHBondContact OE2-CE1 2.72Å; E15-H17 IonicContact OE2-NE2 2.74Å; E15-H17 PolarHBondContact OE2-NE2 3Å
18K98.4Very high96.3Very high111 Ų11169.6 Ų69.648%0.48333%0.334SS..SBendtrans-82.5-22.4172.6-67.5-178.1170.1-138.60113K16 H42 E44 R45K16-K18 PolarHBondContact O-N 3.3Å; K18-H42 WeakPolarHBondContact CA-O 3.34Å; K18-E44 HydrophobicContact CB-CB 4.38Å; K18-E44 HydrophobicContact CB-CG 4.35Å; K18-E44 WeakPolarHBondContact CD-OE1 3.36Å; K18-E44 VanDerWaalsContact CE-OE1 3.3Å; K18-E44 WeakPolarHBondContact CE-OE1 3.45Å; K18-E44 HydrophobicContact CG-CG 4.39Å; K18-E44 IonicContact NZ-OE1 2.76Å; K18-E44 PolarHBondContact NZ-OE1 2.96Å; K18-E44 IonicContact NZ-OE2 3.57Å; K18-E44 CarbonylContact O-C 3.48Å; K18-E44 WeakPolarHBondContact O-CA 3.29Å; K18-E44 PolarHBondContact O-N 3.42Å; K18-R45 PolarHBondContact O-N 2.88Å
19N98.6Very high96.3Very high63 Ų6374.2 Ų74.234%0.33735%0.352SS..EExtended strand (participates in β ladder)trans-127.5134.2-175.8-49.8-58.7000109.3F21 R45N19-F21 HydrophobicContact CB-CE2 4.06Å; N19-F21 HydrophobicContact CB-CZ 4.34Å; N19-R45 CarbonylContact C-O 3.22Å; N19-R45 WeakPolarHBondContact CA-O 3.38Å; N19-R45 HydrophobicContact CB-CB 4.45Å; N19-R45 WeakPolarHBondContact OD1-CB 3.48Å; N19-R45 WeakPolarHBondContact OD1-CD 3.34Å; N19-R45 VanDerWaalsContact OD1-CG 3.29Å; N19-R45 WeakPolarHBondContact OD1-CG 3.4Å; N19-R45 PolarHBondContact OD1-NH1 3.26Å
20L98.3Very high96.3Very high6 Ų674.8 Ų74.83%0.03135%0.354CS..EExtended strand (participates in β ladder)trans-132.7127.6177.9-179.261.1000111T8 A12 L22 L34 L40 L43 R45 L46 Y47T8-L20 HydrophobicContact CG2-CD1 3.89Å; A12-L20 HydrophobicContact CB-CD1 4.03Å; L20-L22 HydrophobicContact CD1-CD2 4.39Å; L20-L22 HydrophobicContact CD2-CD1 4.12Å; L20-L22 HydrophobicContact CD2-CG 4.37Å; L20-L22 HydrophobicContact CG-CD1 4.38Å; L20-L22 HydrophobicContact CG-CD2 4.5Å; L20-L22 HydrophobicContact CG-CG 4.1Å; L20-L34 HydrophobicContact CD2-CD2 3.39Å; L20-L40 HydrophobicContact CD2-CD2 4.13Å; L20-L43 HydrophobicContact CB-CD1 3.5Å; L20-L43 HydrophobicContact CB-CD2 4.33Å; L20-R45 PolarHBondContact N-O 2.95Å; L20-L46 HydrophobicContact CB-CD1 4.21Å; L20-L46 HydrophobicContact CD2-CD1 4.16Å; L20-L46 HydrophobicContact CG-CD1 4.26Å; L20-Y47 PolarHBondContact O-N 2.83Å
21F97.9Very high96.3Very high118 Ų11872.5 Ų72.552%0.51834%0.339SS..EExtended strand (participates in β ladder)trans-111.4110.9-176.4-57.7-87.9000111N19 Y47N19-F21 HydrophobicContact CB-CE2 4.06Å; N19-F21 HydrophobicContact CB-CZ 4.34Å; F21-Y47 AromaticContact CD1-CD2 3.47Å; F21-Y47 HydrophobicContact CD1-CD2 3.47Å; F21-Y47 VanDerWaalsContact CD1-CD2 3.47Å; F21-Y47 HydrophobicContact CD1-CE2 4.08Å; F21-Y47 AromaticContact CD1-CG 3.79Å; F21-Y47 HydrophobicContact CD1-CG 3.79Å; F21-Y47 HydrophobicContact CE1-CD1 4.44Å; F21-Y47 AromaticContact CE1-CD2 3.37Å; F21-Y47 HydrophobicContact CE1-CD2 3.37Å; F21-Y47 AromaticContact CE1-CE2 3.47Å; F21-Y47 HydrophobicContact CE1-CE2 3.47Å; F21-Y47 VanDerWaalsContact CE1-CE2 3.47Å; F21-Y47 AromaticContact CE1-CG 3.91Å; F21-Y47 HydrophobicContact CE1-CG 3.91Å; F21-Y47 HydrophobicContact CG-CD2 4.23Å; F21-Y47 HydrophobicContact CZ-CD2 4.06Å; F21-Y47 AromaticContact CZ-CE2 3.86Å; F21-Y47 HydrophobicContact CZ-CE2 3.86Å
22L97.3Very high96.2Very high0 Ų074.5 Ų74.50%035%0.347CS..  trans-124.726.4177-59.1177.5000111.2T8 L20 R25 L27 P31 L34 L46 Y47 M48 N51T8-L22 HydrophobicContact CG2-CD2 4.43Å; L20-L22 HydrophobicContact CD1-CD2 4.39Å; L20-L22 HydrophobicContact CD2-CD1 4.12Å; L20-L22 HydrophobicContact CD2-CG 4.37Å; L20-L22 HydrophobicContact CG-CD1 4.38Å; L20-L22 HydrophobicContact CG-CD2 4.5Å; L20-L22 HydrophobicContact CG-CG 4.1Å; L22-R25 WeakPolarHBondContact O-CG 3.46Å; L22-L27 HydrophobicContact CB-CD1 4.39Å; L22-P31 HydrophobicContact CD1-CG 4.02Å; L22-L34 HydrophobicContact CD1-CD1 4.06Å; L22-L46 HydrophobicContact CD1-CD1 4.41Å; L22-Y47 CarbonylContact C-O 3.26Å; L22-Y47 WeakPolarHBondContact CA-O 3.41Å; L22-Y47 PolarHBondContact N-O 2.95Å; L22-M48 HydrophobicContact CB-CG 4.05Å; L22-M48 HydrophobicContact CD1-CE 4.39Å; L22-M48 HydrophobicContact CD1-CG 4.44Å; L22-M48 HydrophobicContact CD1-SD 4.49Å; L22-N51 PolarHBondContact O-ND2 2.91Å
23N97.1Very high96.1Very high28 Ų2877.1 Ų77.115%0.1536%0.358CS..THydrogen-bonded Turntrans-68147.6178.3-53.7-41.6000111.2R25 Y47 M48 K49N23-R25 VanDerWaalsContact C-N 3.32Å; N23-R25 WeakPolarHBondContact O-CG 3.11Å; N23-R25 PolarHBondContact O-N 2.84Å; N23-Y47 WeakPolarHBondContact ND2-CB 3.22Å; N23-Y47 WeakPolarHBondContact OD1-CB 3.1Å; N23-Y47 PolarHBondContact OD1-O 3.4Å; N23-M48 PolarHBondContact OD1-N 2.79Å; N23-M48 VanDerWaalsContact OD1-N 3.14Å; N23-K49 VanDerWaalsContact CA-O 3.29Å; N23-K49 WeakPolarHBondContact CA-O 3.44Å; N23-K49 HydrophobicContact CB-CG 3.92Å; N23-K49 WeakPolarHBondContact OD1-CG 3.34Å; N23-K49 PolarHBondContact OD1-N 3.07Å
24Y96.1Very high96.1Very high128 Ų12873.8 Ų73.850%0.50235%0.346SS..THydrogen-bonded Turntrans5838.1172.5-45.4-95.7000114.3K49 R50Y24-K49 HydrophobicContact CE2-CG 4.34Å; Y24-K49 PolarHBondContact N-O 2.9Å; Y24-K49 VanDerWaalsContact N-O 3.13Å; Y24-K49 WeakPolarHBondContact OH-CE 3.21Å; Y24-R50 VanDerWaalsContact CA-O 3.31Å; Y24-R50 WeakPolarHBondContact CA-O 3.22Å; Y24-R50 HydrophobicContact CD1-CB 3.74Å; Y24-R50 HydrophobicContact CD1-CG 4.42Å; Y24-R50 HydrophobicContact CE1-CB 3.84Å; Y24-R50 HydrophobicContact CE1-CG 4.04Å; Y24-R50 HydrophobicContact CG-CB 4.31Å; Y24-R50 PolarHBondContact N-O 3.14Å
25R94.5Very high96Very high65 Ų6567.4 Ų67.425%0.24531%0.313CS..SBendtrans-105.68.1-175.2-66.5-64.1-169.5137.23.5113.3E4 L22 N23 L27 N51E4-R25 VanDerWaalsContact CD-NH1 3.35Å; E4-R25 IonicContact OE1-CZ 3.8Å; E4-R25 IonicContact OE1-NH1 3.88Å; E4-R25 PolarHBondContact OE1-NH1 3.07Å; E4-R25 IonicContact OE1-NH2 2.83Å; E4-R25 IonicContact OE2-NH1 3.9Å; L22-R25 WeakPolarHBondContact O-CG 3.46Å; N23-R25 VanDerWaalsContact C-N 3.32Å; N23-R25 WeakPolarHBondContact O-CG 3.11Å; N23-R25 PolarHBondContact O-N 2.84Å; R25-L27 HydrophobicContact CB-CD1 4.17Å; R25-L27 HydrophobicContact CB-CD2 4.02Å; R25-L27 HydrophobicContact CB-CG 3.75Å; R25-L27 PolarHBondContact O-N 3.02Å; R25-N51 WeakPolarHBondContact CA-OD1 3.38Å; R25-N51 PolarHBondContact N-OD1 2.93Å
26N94.6Very high95.8Very high105 Ų10566.4 Ų66.456%0.56131%0.306SS*.  trans50.938.7-174.8-63.5-24.6000112.6M1 H28 N51M1-N26 HydrophobicContact SD-CB 4.45Å; N26-H28 PolarHBondContact O-CD2 2.91Å; N26-H28 PolarHBondContact O-N 2.92Å; N26-N51 PolarHBondContact N-OD1 2.97Å; N26-N51 VanDerWaalsContact N-OD1 3.12Å
27L95.7Very high95.5Very high17 Ų1765.9 Ų65.99%0.08931%0.309CS..  trans-75.7121.2178.9-56175.3000109.7I5 L22 R25 P31 M48 N51 S52 L53I5-L27 HydrophobicContact CD1-CD2 3.4Å; I5-L27 VanDerWaalsContact CD1-CD2 3.4Å; I5-L27 HydrophobicContact CG1-CD2 4.41Å; L22-L27 HydrophobicContact CB-CD1 4.39Å; R25-L27 HydrophobicContact CB-CD1 4.17Å; R25-L27 HydrophobicContact CB-CD2 4.02Å; R25-L27 HydrophobicContact CB-CG 3.75Å; R25-L27 PolarHBondContact O-N 3.02Å; L27-P31 HydrophobicContact CD1-CG 4.43Å; L27-M48 HydrophobicContact CD1-CE 3.6Å; L27-N51 HydrophobicContact CB-CB 4.03Å; L27-N51 WeakPolarHBondContact CG-OD1 3.43Å; L27-N51 PolarHBondContact N-OD1 2.98Å; L27-S52 CarbonylContact O-C 3.22Å; L27-S52 VanDerWaalsContact O-C 3.22Å; L27-S52 VanDerWaalsContact O-CA 3.31Å; L27-S52 WeakPolarHBondContact O-CA 3.27Å; L27-S52 PolarHBondContact O-N 3Å; L27-L53 HydrophobicContact CB-CD2 3.87Å; L27-L53 PolarHBondContact O-N 3.24Å
28H95.9Very high95.1Very high119 Ų11969.6 Ų69.655%0.55133%0.327SS*.SBendtrans-87.4-22.5172.4-63.9-85.4000112.6N26N26-H28 PolarHBondContact O-CD2 2.91Å; N26-H28 PolarHBondContact O-N 2.92Å
29H95.4Very high94.7Very high138 Ų13864.6 Ų64.664%0.63931%0.307SS*.SBendtrans-133152.1-179.7-57.897.4000110.1L53H29-L53 VanDerWaalsContact O-CD2 3.28Å; H29-L53 WeakPolarHBondContact O-CD2 3.48Å
30F95.8Very high94.6Very high13 Ų1361.9 Ų61.96%0.05729%0.292CS..  trans-62.1129.7173.5-170.6-83.4000109L32 L34 L35 L46 M48 L56 P57 L60 L64F30-L32 PolarHBondContact O-N 3.24Å; F30-L34 HydrophobicContact CE1-CB 3.96Å; F30-L34 HydrophobicContact CE1-CD1 3.68Å; F30-L34 HydrophobicContact CE1-CG 4.38Å; F30-L34 HydrophobicContact CE2-CD1 4.34Å; F30-L34 HydrophobicContact CZ-CB 4.41Å; F30-L34 HydrophobicContact CZ-CD1 3.51Å; F30-L35 HydrophobicContact CD1-CD1 4.12Å; F30-L35 HydrophobicContact CD1-CG 4.41Å; F30-L35 HydrophobicContact CE1-CD1 4.05Å; F30-L35 HydrophobicContact CE1-CD2 3.81Å; F30-L35 HydrophobicContact CE1-CG 3.91Å; F30-L35 HydrophobicContact CZ-CD2 4.46Å; F30-L46 HydrophobicContact CE2-CD2 4.24Å; F30-L46 HydrophobicContact CZ-CD2 4.22Å; F30-M48 HydrophobicContact CD2-CE 4.15Å; F30-M48 HydrophobicContact CD2-SD 3.91Å; F30-M48 HydrophobicContact CE2-CE 4.37Å; F30-M48 HydrophobicContact CE2-SD 3.57Å; F30-M48 VanDerWaalsContact CE2-SD 3.57Å; F30-M48 HydrophobicContact CZ-SD 4.35Å; F30-L56 HydrophobicContact CD2-CD2 3.89Å; F30-L56 HydrophobicContact CE2-CD2 4.38Å; F30-P57 HydrophobicContact CB-CG 4.43Å; F30-P57 HydrophobicContact CD1-CG 3.64Å; F30-P57 HydrophobicContact CE1-CG 3.96Å; F30-P57 HydrophobicContact CG-CG 3.96Å; F30-L60 HydrophobicContact CE1-CD1 4.06Å; F30-L60 HydrophobicContact CE2-CD1 3.74Å; F30-L60 HydrophobicContact CZ-CD1 3.34Å; F30-L64 HydrophobicContact CZ-CD1 4.44Å
31P94.8Very high94.4Very high11 Ų1164.8 Ų64.87%0.07131%0.306CS..  trans-70.7102.9-17725.4-29000109.7I5 I9 L22 L27 E33 L34 M48I5-P31 HydrophobicContact CG2-CB 4.2Å; I9-P31 HydrophobicContact CD1-CB 4.06Å; I9-P31 HydrophobicContact CD1-CG 4.38Å; L22-P31 HydrophobicContact CD1-CG 4.02Å; L27-P31 HydrophobicContact CD1-CG 4.43Å; P31-E33 PolarHBondContact O-N 3.34Å; P31-L34 HydrophobicContact CG-CD1 3.74Å; P31-L34 HydrophobicContact CG-CG 4.12Å; P31-L34 WeakPolarHBondContact O-CB 3.46Å; P31-L34 PolarHBondContact O-N 2.87Å; P31-M48 HydrophobicContact CG-CE 3.97Å
32L92.6Very high94.4Very high105 Ų10563.6 Ų63.655%0.5530%0.301SS..G310 helixtrans-61.3-18.4-178.1-60.2-177.6000112.3F30 L34 L35 K36 P57F30-L32 PolarHBondContact O-N 3.24Å; L32-L34 PolarHBondContact O-N 2.97Å; L32-L35 HydrophobicContact CD2-CD1 3.78Å; L32-L35 WeakPolarHBondContact O-CA 3.34Å; L32-L35 WeakPolarHBondContact O-CB 3.35Å; L32-L35 PolarHBondContact O-N 2.97Å; L32-K36 PolarHBondContact O-N 3.46Å; L32-P57 HydrophobicContact CD2-CB 4.49Å
33E93.2Very high94.5Very high56 Ų5663.6 Ų63.626%0.26230%0.301SS..G310 helixtrans-52.3-31.9168.3-76.763.5-140.100113.3I9 R13 P31 L35 K36I9-E33 HydrophobicContact CD1-CB 3.71Å; I9-E33 HydrophobicContact CG2-CB 4.31Å; R13-E33 PolarHBondContact NH2-O 3.2Å; P31-E33 PolarHBondContact O-N 3.34Å; E33-L35 PolarHBondContact O-N 2.92Å; E33-K36 IonicContact OE1-NZ 3.71Å; E33-K36 PolarHBondContact OE1-NZ 2.73Å
34L94Very high94.6Very high0 Ų064.5 Ų64.50%031%0.305CS..G310 helixtrans-63.8-25.9173.8-71174.6000112.8I9 L20 L22 F30 P31 L32 G39 L40 L46I9-L34 HydrophobicContact CB-CD2 4.49Å; I9-L34 HydrophobicContact CD1-CD2 3.96Å; I9-L34 HydrophobicContact CD1-CG 3.91Å; I9-L34 HydrophobicContact CG1-CD2 3.78Å; I9-L34 HydrophobicContact CG1-CG 4.31Å; I9-L34 HydrophobicContact CG2-CD2 3.99Å; L20-L34 HydrophobicContact CD2-CD2 3.39Å; L22-L34 HydrophobicContact CD1-CD1 4.06Å; F30-L34 HydrophobicContact CE1-CB 3.96Å; F30-L34 HydrophobicContact CE1-CD1 3.68Å; F30-L34 HydrophobicContact CE1-CG 4.38Å; F30-L34 HydrophobicContact CE2-CD1 4.34Å; F30-L34 HydrophobicContact CZ-CB 4.41Å; F30-L34 HydrophobicContact CZ-CD1 3.51Å; P31-L34 HydrophobicContact CG-CD1 3.74Å; P31-L34 HydrophobicContact CG-CG 4.12Å; P31-L34 WeakPolarHBondContact O-CB 3.46Å; P31-L34 PolarHBondContact O-N 2.87Å; L32-L34 PolarHBondContact O-N 2.97Å; L34-G39 WeakPolarHBondContact O-CA 3.29Å; L34-L40 HydrophobicContact CB-CD1 4.3Å; L34-L40 HydrophobicContact CD2-CD1 3.77Å; L34-L40 HydrophobicContact CD2-CD2 4.17Å; L34-L40 WeakPolarHBondContact O-CD1 3.24Å; L34-L46 HydrophobicContact CD1-CD1 4.45Å; L34-L46 HydrophobicContact CD1-CD2 4.33Å
35L94.2Very high94.7Very high11 Ų1161.5 Ų61.56%0.05829%0.293CS..G310 helixtrans-103.7-6.1-170.7-47.8174.1000112.7F30 L32 E33 P57 N59 L60 K63F30-L35 HydrophobicContact CD1-CD1 4.12Å; F30-L35 HydrophobicContact CD1-CG 4.41Å; F30-L35 HydrophobicContact CE1-CD1 4.05Å; F30-L35 HydrophobicContact CE1-CD2 3.81Å; F30-L35 HydrophobicContact CE1-CG 3.91Å; F30-L35 HydrophobicContact CZ-CD2 4.46Å; L32-L35 HydrophobicContact CD2-CD1 3.78Å; L32-L35 WeakPolarHBondContact O-CA 3.34Å; L32-L35 WeakPolarHBondContact O-CB 3.35Å; L32-L35 PolarHBondContact O-N 2.97Å; E33-L35 PolarHBondContact O-N 2.92Å; L35-P57 HydrophobicContact CD1-CB 3.53Å; L35-P57 HydrophobicContact CD1-CG 3.27Å; L35-P57 HydrophobicContact CD2-CG 4.35Å; L35-P57 HydrophobicContact CG-CG 4.36Å; L35-N59 WeakPolarHBondContact CD1-OD1 3.28Å; L35-L60 HydrophobicContact CD2-CD1 4.29Å; L35-K63 HydrophobicContact CB-CB 4.28Å; L35-K63 HydrophobicContact CB-CG 4.02Å; L35-K63 HydrophobicContact CD2-CB 3.76Å; L35-K63 HydrophobicContact CD2-CG 4.25Å; L35-K63 WeakPolarHBondContact O-CD 3.45Å; L35-K63 VanDerWaalsContact O-CE 3.29Å; L35-K63 WeakPolarHBondContact O-CE 3.36Å
36K91.8Very high94.9Very high104 Ų10458.4 Ų58.445%0.45228%0.281SS..SBendtrans-63.4151.8176.1-72.7-177.7-176.3166.20110.9L32 E33 E38 G39L32-K36 PolarHBondContact O-N 3.46Å; E33-K36 IonicContact OE1-NZ 3.71Å; E33-K36 PolarHBondContact OE1-NZ 2.73Å; K36-E38 PolarHBondContact O-N 2.78Å; K36-G39 WeakPolarHBondContact O-CA 3.49Å; K36-G39 PolarHBondContact O-N 3.47Å
37D91.3Very high95.1Very high118 Ų11855.6 Ų55.663%0.63126%0.263SS*.THydrogen-bonded Turntrans53.1-133178.3-46.4-44.9000111.2G39 K63D37-G39 PolarHBondContact O-N 2.95Å; D37-K63 PolarHBondContact O-NZ 3.14Å
38E89.1Confident95.2Very high146 Ų14654.8 Ų54.868%0.68226%0.258SS*.THydrogen-bonded Turntrans-75.83.8174.6-60.2-58155.700113.4K36 Q41K36-E38 PolarHBondContact O-N 2.78Å; E38-Q41 HydrophobicContact CB-CG 4.46Å; E38-Q41 WeakPolarHBondContact O-CG 3.42Å; E38-Q41 PolarHBondContact O-NE2 3.23Å
39G91.4Very high95.3Very high5 Ų551.9 Ų51.95%0.05224%0.244CC..  trans74.5-149-175.900000113.3R13 L34 K36 D37 K63R13-G39 PolarHBondContact NE-O 3.42Å; L34-G39 WeakPolarHBondContact O-CA 3.29Å; K36-G39 WeakPolarHBondContact O-CA 3.49Å; K36-G39 PolarHBondContact O-N 3.47Å; D37-G39 PolarHBondContact O-N 2.95Å; G39-K63 WeakPolarHBondContact CA-O 3.48Å
40L95.4Very high95.4Very high6 Ų652 Ų523%0.03124%0.239CC..  trans-117.278.2175.5-75.579.1000109.6I9 A12 L20 L34 H42 L43 K63 L64I9-L40 HydrophobicContact CG2-CD1 4.25Å; A12-L40 HydrophobicContact CB-CD2 4.03Å; L20-L40 HydrophobicContact CD2-CD2 4.13Å; L34-L40 HydrophobicContact CB-CD1 4.3Å; L34-L40 HydrophobicContact CD2-CD1 3.77Å; L34-L40 HydrophobicContact CD2-CD2 4.17Å; L34-L40 WeakPolarHBondContact O-CD1 3.24Å; L40-H42 PolarHBondContact O-N 2.86Å; L40-L43 HydrophobicContact CB-CB 3.84Å; L40-L43 HydrophobicContact CB-CD2 4.42Å; L40-L43 HydrophobicContact CD2-CD2 4.36Å; L40-L43 WeakPolarHBondContact O-CB 3.44Å; L40-L43 PolarHBondContact O-N 3.09Å; L40-K63 PolarHBondContact N-O 2.96Å; L40-K63 VanDerWaalsContact N-O 3.14Å; L40-L64 HydrophobicContact CB-CD2 3.74Å; L40-L64 HydrophobicContact CD1-CD2 4.39Å
41Q95.3Very high95.5Very high68 Ų6852 Ų5232%0.31824%0.239SC..THydrogen-bonded Turntrans-61.5-18.5-174.5-65-61.6-39.900114.6E38 N66E38-Q41 HydrophobicContact CB-CG 4.46Å; E38-Q41 WeakPolarHBondContact O-CG 3.42Å; E38-Q41 PolarHBondContact O-NE2 3.23Å; Q41-N66 PolarHBondContact O-ND2 2.9Å
42H97.3Very high95.7Very high93 Ų9353.1 Ų53.143%0.43125%0.248SC..THydrogen-bonded Turntrans-96.9-5.1178-65.5-77.8000113.8K16 K18 L40 E44K16-H42 HydrophobicContact CB-CB 3.96Å; K16-H42 WeakPolarHBondContact CD-NE2 3.2Å; K16-H42 VanDerWaalsContact CG-CD2 3.46Å; K16-H42 WeakPolarHBondContact CG-CD2 3.37Å; K18-H42 WeakPolarHBondContact CA-O 3.34Å; L40-H42 PolarHBondContact O-N 2.86Å; H42-E44 PolarHBondContact O-N 2.89Å
43L98.6Very high96Very high0 Ų048.1 Ų48.10%022%0.221CC..  trans-74.2124.1-175.3-168.371.5000110.7L20 L40 L46 L64 N66 L67L20-L43 HydrophobicContact CB-CD1 3.5Å; L20-L43 HydrophobicContact CB-CD2 4.33Å; L40-L43 HydrophobicContact CB-CB 3.84Å; L40-L43 HydrophobicContact CB-CD2 4.42Å; L40-L43 HydrophobicContact CD2-CD2 4.36Å; L40-L43 WeakPolarHBondContact O-CB 3.44Å; L40-L43 PolarHBondContact O-N 3.09Å; L43-L46 HydrophobicContact CD2-CB 4.14Å; L43-L46 HydrophobicContact CD2-CD1 4.33Å; L43-L64 HydrophobicContact CD2-CD1 4.46Å; L43-L64 HydrophobicContact CD2-CD2 4.16Å; L43-N66 CarbonylContact O-C 3.47Å; L43-N66 VanDerWaalsContact O-C 3.26Å; L43-L67 HydrophobicContact CD2-CD2 4.16Å; L43-L67 HydrophobicContact CG-CD2 4.16Å; L43-L67 PolarHBondContact O-N 3.43Å
44E98.8Very high96.2Very high46 Ų4648.2 Ų48.222%0.21523%0.226CC..  trans-108.6-30.9178.1-66.3174.7-170.600111.6K18 H42 V68 E69K18-E44 HydrophobicContact CB-CB 4.38Å; K18-E44 HydrophobicContact CB-CG 4.35Å; K18-E44 WeakPolarHBondContact CD-OE1 3.36Å; K18-E44 VanDerWaalsContact CE-OE1 3.3Å; K18-E44 WeakPolarHBondContact CE-OE1 3.45Å; K18-E44 HydrophobicContact CG-CG 4.39Å; K18-E44 IonicContact NZ-OE1 2.76Å; K18-E44 PolarHBondContact NZ-OE1 2.96Å; K18-E44 IonicContact NZ-OE2 3.57Å; K18-E44 CarbonylContact O-C 3.48Å; K18-E44 WeakPolarHBondContact O-CA 3.29Å; K18-E44 PolarHBondContact O-N 3.42Å; H42-E44 PolarHBondContact O-N 2.89Å; E44-V68 HydrophobicContact CB-CG2 4.2Å; E44-V68 HydrophobicContact CG-CG2 4.44Å; E44-V68 WeakPolarHBondContact O-CA 3.41Å; E44-V68 PolarHBondContact O-N 3.17Å; E44-E69 PolarHBondContact O-N 3.01Å
45R98.9Very high96.2Very high66 Ų6651.1 Ų51.125%0.24924%0.244CC..EExtended strand (participates in β ladder)trans-131.4123.2-178.1-52.3-174.3-175.865.37.8111.4K18 N19 L20 Y47 E69K18-R45 PolarHBondContact O-N 2.88Å; N19-R45 CarbonylContact C-O 3.22Å; N19-R45 WeakPolarHBondContact CA-O 3.38Å; N19-R45 HydrophobicContact CB-CB 4.45Å; N19-R45 WeakPolarHBondContact OD1-CB 3.48Å; N19-R45 WeakPolarHBondContact OD1-CD 3.34Å; N19-R45 VanDerWaalsContact OD1-CG 3.29Å; N19-R45 WeakPolarHBondContact OD1-CG 3.4Å; N19-R45 PolarHBondContact OD1-NH1 3.26Å; L20-R45 PolarHBondContact N-O 2.95Å; R45-Y47 HydrophobicContact CB-CD2 4.46Å; R45-Y47 HydrophobicContact CB-CE2 3.63Å; R45-Y47 VanDerWaalsContact CD-OH 3.3Å; R45-Y47 WeakPolarHBondContact CD-OH 3.34Å; R45-E69 WeakPolarHBondContact CA-O 3.32Å; R45-E69 HydrophobicContact CB-CB 4.33Å; R45-E69 WeakPolarHBondContact CD-OE1 3.32Å; R45-E69 HydrophobicContact CG-CB 4Å; R45-E69 HydrophobicContact CG-CG 4.17Å; R45-E69 IonicContact CZ-OE1 2.83Å; R45-E69 IonicContact NE-OE1 3.8Å; R45-E69 PolarHBondContact NE-OE1 2.89Å; R45-E69 IonicContact NE-OE2 3.81Å; R45-E69 IonicContact NH2-OE1 2.66Å
46L98.8Very high96.4Very high0 Ų051.1 Ų51.10%024%0.244CC..EExtended strand (participates in β ladder)trans-118.6120.3176.6179.457.8000110L20 L22 F30 L34 L43 M48 L64 L67 E69 L70 Y71L20-L46 HydrophobicContact CB-CD1 4.21Å; L20-L46 HydrophobicContact CD2-CD1 4.16Å; L20-L46 HydrophobicContact CG-CD1 4.26Å; L22-L46 HydrophobicContact CD1-CD1 4.41Å; F30-L46 HydrophobicContact CE2-CD2 4.24Å; F30-L46 HydrophobicContact CZ-CD2 4.22Å; L34-L46 HydrophobicContact CD1-CD1 4.45Å; L34-L46 HydrophobicContact CD1-CD2 4.33Å; L43-L46 HydrophobicContact CD2-CB 4.14Å; L43-L46 HydrophobicContact CD2-CD1 4.33Å; L46-M48 HydrophobicContact CD1-CG 3.89Å; L46-M48 HydrophobicContact CD1-SD 4.18Å; L46-M48 HydrophobicContact CD2-CG 4.43Å; L46-M48 HydrophobicContact CD2-SD 3.96Å; L46-M48 HydrophobicContact CG-CG 3.96Å; L46-M48 HydrophobicContact CG-SD 4.15Å; L46-L64 HydrophobicContact CD2-CD1 3.96Å; L46-L67 HydrophobicContact CB-CD2 3.86Å; L46-E69 PolarHBondContact N-O 3.27Å; L46-L70 HydrophobicContact CB-CD1 3.95Å; L46-L70 HydrophobicContact CD2-CD1 3.93Å; L46-L70 HydrophobicContact CG-CD1 4.04Å; L46-Y71 PolarHBondContact O-N 3.35Å
47Y98.8Very high96.6Very high46 Ų4647.1 Ų47.118%0.1823%0.228CC..EExtended strand (participates in β ladder)trans-110.6116.1177.5-54.5-94.8000109.6L20 F21 L22 N23 R45 Y71L20-Y47 PolarHBondContact O-N 2.83Å; F21-Y47 AromaticContact CD1-CD2 3.47Å; F21-Y47 HydrophobicContact CD1-CD2 3.47Å; F21-Y47 VanDerWaalsContact CD1-CD2 3.47Å; F21-Y47 HydrophobicContact CD1-CE2 4.08Å; F21-Y47 AromaticContact CD1-CG 3.79Å; F21-Y47 HydrophobicContact CD1-CG 3.79Å; F21-Y47 HydrophobicContact CE1-CD1 4.44Å; F21-Y47 AromaticContact CE1-CD2 3.37Å; F21-Y47 HydrophobicContact CE1-CD2 3.37Å; F21-Y47 AromaticContact CE1-CE2 3.47Å; F21-Y47 HydrophobicContact CE1-CE2 3.47Å; F21-Y47 VanDerWaalsContact CE1-CE2 3.47Å; F21-Y47 AromaticContact CE1-CG 3.91Å; F21-Y47 HydrophobicContact CE1-CG 3.91Å; F21-Y47 HydrophobicContact CG-CD2 4.23Å; F21-Y47 HydrophobicContact CZ-CD2 4.06Å; F21-Y47 AromaticContact CZ-CE2 3.86Å; F21-Y47 HydrophobicContact CZ-CE2 3.86Å; L22-Y47 CarbonylContact C-O 3.26Å; L22-Y47 WeakPolarHBondContact CA-O 3.41Å; L22-Y47 PolarHBondContact N-O 2.95Å; N23-Y47 WeakPolarHBondContact ND2-CB 3.22Å; N23-Y47 WeakPolarHBondContact OD1-CB 3.1Å; N23-Y47 PolarHBondContact OD1-O 3.4Å; R45-Y47 HydrophobicContact CB-CD2 4.46Å; R45-Y47 HydrophobicContact CB-CE2 3.63Å; R45-Y47 VanDerWaalsContact CD-OH 3.3Å; R45-Y47 WeakPolarHBondContact CD-OH 3.34Å; Y47-Y71 AromaticContact CD1-CD2 3.27Å; Y47-Y71 HydrophobicContact CD1-CD2 3.27Å; Y47-Y71 AromaticContact CD1-CE2 3.88Å; Y47-Y71 HydrophobicContact CD1-CE2 3.88Å; Y47-Y71 AromaticContact CD1-CG 3.88Å; Y47-Y71 HydrophobicContact CD1-CG 3.88Å; Y47-Y71 AromaticContact CE1-CD2 3.19Å; Y47-Y71 HydrophobicContact CE1-CD2 3.19Å; Y47-Y71 AromaticContact CE1-CE2 3.26Å; Y47-Y71 HydrophobicContact CE1-CE2 3.26Å; Y47-Y71 HydrophobicContact CE1-CG 4.1Å; Y47-Y71 HydrophobicContact CG-CD2 4.17Å; Y47-Y71 AromaticContact CZ-CE2 3.9Å
48M98.1Very high96.8Very high0 Ų047.6 Ų47.60%023%0.227CC..  trans-133.826-178.5-72.2-168.478.400112.2L22 N23 L27 F30 P31 L46 N51 L53 Y71 L72 N75L22-M48 HydrophobicContact CB-CG 4.05Å; L22-M48 HydrophobicContact CD1-CE 4.39Å; L22-M48 HydrophobicContact CD1-CG 4.44Å; L22-M48 HydrophobicContact CD1-SD 4.49Å; N23-M48 PolarHBondContact OD1-N 2.79Å; N23-M48 VanDerWaalsContact OD1-N 3.14Å; L27-M48 HydrophobicContact CD1-CE 3.6Å; F30-M48 HydrophobicContact CD2-CE 4.15Å; F30-M48 HydrophobicContact CD2-SD 3.91Å; F30-M48 HydrophobicContact CE2-CE 4.37Å; F30-M48 HydrophobicContact CE2-SD 3.57Å; F30-M48 VanDerWaalsContact CE2-SD 3.57Å; F30-M48 HydrophobicContact CZ-SD 4.35Å; P31-M48 HydrophobicContact CG-CE 3.97Å; L46-M48 HydrophobicContact CD1-CG 3.89Å; L46-M48 HydrophobicContact CD1-SD 4.18Å; L46-M48 HydrophobicContact CD2-CG 4.43Å; L46-M48 HydrophobicContact CD2-SD 3.96Å; L46-M48 HydrophobicContact CG-CG 3.96Å; L46-M48 HydrophobicContact CG-SD 4.15Å; M48-N51 PolarHBondContact O-ND2 3.02Å; M48-L53 HydrophobicContact CB-CD1 4.41Å; M48-L53 HydrophobicContact CE-CD1 3.73Å; M48-L53 HydrophobicContact CE-CD2 4.38Å; M48-L53 HydrophobicContact SD-CD1 4.41Å; M48-Y71 CarbonylContact C-O 3.33Å; M48-Y71 PolarHBondContact N-O 2.76Å; M48-L72 HydrophobicContact CB-CD2 3.79Å; M48-L72 HydrophobicContact SD-CD2 4.49Å; M48-N75 PolarHBondContact O-ND2 3.34Å
49K97.9Very high97.1Very high58 Ų5843.5 Ų43.525%0.25221%0.209SC..  trans-66.1154.5-178.277.7-176.1169-178.30112.4N23 Y24 H73N23-K49 VanDerWaalsContact CA-O 3.29Å; N23-K49 WeakPolarHBondContact CA-O 3.44Å; N23-K49 HydrophobicContact CB-CG 3.92Å; N23-K49 WeakPolarHBondContact OD1-CG 3.34Å; N23-K49 PolarHBondContact OD1-N 3.07Å; Y24-K49 HydrophobicContact CE2-CG 4.34Å; Y24-K49 PolarHBondContact N-O 2.9Å; Y24-K49 VanDerWaalsContact N-O 3.13Å; Y24-K49 WeakPolarHBondContact OH-CE 3.21Å; K49-H73 WeakPolarHBondContact CA-O 3.03Å; K49-H73 VanDerWaalsContact CB-O 3.27Å; K49-H73 WeakPolarHBondContact CB-O 3.45Å; K49-H73 WeakPolarHBondContact CD-CE1 3.36Å; K49-H73 WeakPolarHBondContact CD-NE2 3.38Å
50R98.2Very high97.3Very high141 Ų14143.3 Ų43.353%0.53221%0.207SC..SBendtrans54.754.6175.7-69.4-179.9170.7-149.18.2111.9Y24 H73 S74Y24-R50 VanDerWaalsContact CA-O 3.31Å; Y24-R50 WeakPolarHBondContact CA-O 3.22Å; Y24-R50 HydrophobicContact CD1-CB 3.74Å; Y24-R50 HydrophobicContact CD1-CG 4.42Å; Y24-R50 HydrophobicContact CE1-CB 3.84Å; Y24-R50 HydrophobicContact CE1-CG 4.04Å; Y24-R50 HydrophobicContact CG-CB 4.31Å; Y24-R50 PolarHBondContact N-O 3.14Å; R50-H73 PolarHBondContact N-O 3.36Å; R50-H73 VanDerWaalsContact N-O 3.07Å; R50-S74 WeakPolarHBondContact CA-O 3.27Å; R50-S74 PolarHBondContact N-O 2.66Å; R50-S74 VanDerWaalsContact N-O 3.1Å
51N98.2Very high97.3Very high11 Ų1143.4 Ų43.46%0.05921%0.209CC..SBendtrans-120.2-164.6165.7-75.4-67.2000107.8L22 R25 N26 L27 M48 L53 S74 N75L22-N51 PolarHBondContact O-ND2 2.91Å; R25-N51 WeakPolarHBondContact CA-OD1 3.38Å; R25-N51 PolarHBondContact N-OD1 2.93Å; N26-N51 PolarHBondContact N-OD1 2.97Å; N26-N51 VanDerWaalsContact N-OD1 3.12Å; L27-N51 HydrophobicContact CB-CB 4.03Å; L27-N51 WeakPolarHBondContact CG-OD1 3.43Å; L27-N51 PolarHBondContact N-OD1 2.98Å; M48-N51 PolarHBondContact O-ND2 3.02Å; N51-L53 HydrophobicContact CB-CG 4.17Å; N51-S74 PolarHBondContact N-O 3.15Å; N51-N75 VanDerWaalsContact CA-OD1 3.3Å; N51-N75 WeakPolarHBondContact CA-OD1 3.22Å; N51-N75 WeakPolarHBondContact CB-OD1 3.33Å; N51-N75 PolarHBondContact N-OD1 2.71Å; N51-N75 PolarHBondContact O-OD1 3.27Å
52S97.9Very high97.3Very high35 Ų3546.6 Ų46.625%0.24522%0.224CC..  trans-122.230.9179.9-57.20000111.4L27 N75L27-S52 CarbonylContact O-C 3.22Å; L27-S52 VanDerWaalsContact O-C 3.22Å; L27-S52 VanDerWaalsContact O-CA 3.31Å; L27-S52 WeakPolarHBondContact O-CA 3.27Å; L27-S52 PolarHBondContact O-N 3Å; S52-N75 PolarHBondContact N-OD1 2.9Å
53L98.2Very high97.3Very high0 Ų044 Ų440%021%0.211CC..  trans-64134.7-178.1-57.4178.2000110.3L27 H29 M48 N51 L72 N75 N76 I77L27-L53 HydrophobicContact CB-CD2 3.87Å; L27-L53 PolarHBondContact O-N 3.24Å; H29-L53 VanDerWaalsContact O-CD2 3.28Å; H29-L53 WeakPolarHBondContact O-CD2 3.48Å; M48-L53 HydrophobicContact CB-CD1 4.41Å; M48-L53 HydrophobicContact CE-CD1 3.73Å; M48-L53 HydrophobicContact CE-CD2 4.38Å; M48-L53 HydrophobicContact SD-CD1 4.41Å; N51-L53 HydrophobicContact CB-CG 4.17Å; L53-L72 HydrophobicContact CD1-CD2 3.92Å; L53-N75 HydrophobicContact CB-CB 4.26Å; L53-N75 WeakPolarHBondContact CB-OD1 3.26Å; L53-N75 VanDerWaalsContact CG-OD1 3.28Å; L53-N75 WeakPolarHBondContact CG-OD1 3.48Å; L53-N75 PolarHBondContact N-OD1 3.08Å; L53-N76 CarbonylContact O-C 3.04Å; L53-N76 VanDerWaalsContact O-CA 3.27Å; L53-N76 WeakPolarHBondContact O-CA 3.32Å; L53-N76 PolarHBondContact O-N 3.27Å; L53-I77 HydrophobicContact CB-CG1 4.22Å; L53-I77 WeakPolarHBondContact O-CG1 3.39Å; L53-I77 PolarHBondContact O-N 2.83Å; L53-I77 VanDerWaalsContact O-N 3.09Å
54T97.4Very high97.2Very high58 Ų5844 Ų4436%0.35621%0.211SC..  trans-104-25177.854.90000113.5N76 I77 V78T54-N76 WeakPolarHBondContact CA-O 3.45Å; T54-N76 HydrophobicContact CG2-CB 4.29Å; T54-I77 WeakPolarHBondContact O-CA 3.29Å; T54-V78 PolarHBondContact O-N 3.25Å; T54-V78 VanDerWaalsContact O-N 3.08Å
55T95.9Very high97.2Very high61 Ų6143.8 Ų43.837%0.37421%0.214SC..BIsolated β-bridgetrans-146.9163-176.7570000110.6V79T55-V79 HydrophobicContact CG2-CG1 4.14Å
56L96.9Very high97.1Very high12 Ų1242.7 Ų42.76%0.06321%0.213CC..  trans-113.6153.1167.6-57.9174.6000109.5F30 L60 L72 I77 V80 P81F30-L56 HydrophobicContact CD2-CD2 3.89Å; F30-L56 HydrophobicContact CE2-CD2 4.38Å; L56-L60 HydrophobicContact CD1-CD2 4.34Å; L56-L72 HydrophobicContact CD1-CD1 3.53Å; L56-L72 HydrophobicContact CD2-CD1 3.78Å; L56-L72 HydrophobicContact CD2-CD2 3.97Å; L56-L72 HydrophobicContact CG-CD1 4.22Å; L56-I77 HydrophobicContact CD2-CD1 4.27Å; L56-I77 HydrophobicContact CG-CD1 4.41Å; L56-V80 HydrophobicContact CD1-CG1 4.36Å; L56-P81 HydrophobicContact CB-CG 3.97Å
57P96.1Very high97.1Very high19 Ų1942.7 Ų42.712%0.12321%0.213CC..  trans-79.1142.5-177.128.7-28.5000112.1F30 L32 L35 N59 L60F30-P57 HydrophobicContact CB-CG 4.43Å; F30-P57 HydrophobicContact CD1-CG 3.64Å; F30-P57 HydrophobicContact CE1-CG 3.96Å; F30-P57 HydrophobicContact CG-CG 3.96Å; L32-P57 HydrophobicContact CD2-CB 4.49Å; L35-P57 HydrophobicContact CD1-CB 3.53Å; L35-P57 HydrophobicContact CD1-CG 3.27Å; L35-P57 HydrophobicContact CD2-CG 4.35Å; L35-P57 HydrophobicContact CG-CG 4.36Å; P57-N59 PolarHBondContact O-N 3.47Å; P57-L60 HydrophobicContact CG-CB 4.19Å; P57-L60 HydrophobicContact CG-CD1 4.32Å; P57-L60 VanDerWaalsContact O-CB 3.24Å; P57-L60 WeakPolarHBondContact O-CB 3.49Å; P57-L60 PolarHBondContact O-N 2.69Å
58E95.1Very high97.1Very high129 Ų12941.6 Ų41.660%0.60321%0.211SC*.THydrogen-bonded Turntrans-59.2-29.5-179.2-71.1-62.615800113.9L60 P81 A83E58-L60 VanDerWaalsContact C-N 3.34Å; E58-P81 VanDerWaalsContact OE2-CB 3.32Å; E58-P81 WeakPolarHBondContact OE2-CB 3.5Å; E58-A83 WeakPolarHBondContact O-CB 3.32Å
59N95.1Very high97.2Very high59 Ų5943.4 Ų43.432%0.31622%0.219SC..THydrogen-bonded Turntrans-92.412.2179.766.7-14.2000113.8L35 P57 A61 Q62 K63L35-N59 WeakPolarHBondContact CD1-OD1 3.28Å; P57-N59 PolarHBondContact O-N 3.47Å; N59-A61 VanDerWaalsContact C-N 3.32Å; N59-A61 PolarHBondContact O-N 2.94Å; N59-Q62 WeakPolarHBondContact O-CB 3.29Å; N59-Q62 PolarHBondContact O-N 2.94Å; N59-Q62 VanDerWaalsContact O-N 3.14Å; N59-K63 PolarHBondContact O-N 3.02Å
60L95.8Very high97.2Very high2 Ų240.7 Ų40.71%0.0121%0.208CC..Hα-helixtrans-51.9-50.2-179.4-177.573.6000111.8F30 L35 L56 P57 E58 Q62 K63 L64 L70 I84F30-L60 HydrophobicContact CE1-CD1 4.06Å; F30-L60 HydrophobicContact CE2-CD1 3.74Å; F30-L60 HydrophobicContact CZ-CD1 3.34Å; L35-L60 HydrophobicContact CD2-CD1 4.29Å; L56-L60 HydrophobicContact CD1-CD2 4.34Å; P57-L60 HydrophobicContact CG-CB 4.19Å; P57-L60 HydrophobicContact CG-CD1 4.32Å; P57-L60 VanDerWaalsContact O-CB 3.24Å; P57-L60 WeakPolarHBondContact O-CB 3.49Å; P57-L60 PolarHBondContact O-N 2.69Å; E58-L60 VanDerWaalsContact C-N 3.34Å; L60-Q62 VanDerWaalsContact C-N 3.31Å; L60-Q62 PolarHBondContact O-N 3.34Å; L60-K63 PolarHBondContact O-N 2.83Å; L60-L64 HydrophobicContact CD1-CD1 3.63Å; L60-L64 HydrophobicContact CD1-CG 4.47Å; L60-L64 HydrophobicContact CG-CD1 4.5Å; L60-L64 PolarHBondContact O-N 3.15Å; L60-L70 HydrophobicContact CD2-CD2 4.22Å; L60-I84 HydrophobicContact CD2-CD1 4.09Å
61A95.7Very high97.2Very high8 Ų836.1 Ų36.17%0.06619%0.191CC..Hα-helixtrans-68.1-31-177.300000113.1N59 P65 A83 L87N59-A61 VanDerWaalsContact C-N 3.32Å; N59-A61 PolarHBondContact O-N 2.94Å; A61-P65 VanDerWaalsContact O-CA 3.28Å; A61-P65 WeakPolarHBondContact O-CA 3.32Å; A61-A83 WeakPolarHBondContact CB-O 3.27Å; A61-L87 HydrophobicContact CB-CD2 3.83Å; A61-L87 HydrophobicContact CB-CG 3.83Å
62Q95.9Very high97.3Very high134 Ų13435.6 Ų35.663%0.62619%0.188SC*.Hα-helixtrans-68.6-39.2175.1-172.5-171.237.400111.6N59 L60N59-Q62 WeakPolarHBondContact O-CB 3.29Å; N59-Q62 PolarHBondContact O-N 2.94Å; N59-Q62 VanDerWaalsContact O-N 3.14Å; L60-Q62 VanDerWaalsContact C-N 3.31Å; L60-Q62 PolarHBondContact O-N 3.34Å
63K97.1Very high97.3Very high39 Ų3935.5 Ų35.517%0.1718%0.184CC..Hα-helixtrans-91-18.3-174-63.2-62.6-177.1-174.30114.1L35 D37 G39 L40 N59 L60L35-K63 HydrophobicContact CB-CB 4.28Å; L35-K63 HydrophobicContact CB-CG 4.02Å; L35-K63 HydrophobicContact CD2-CB 3.76Å; L35-K63 HydrophobicContact CD2-CG 4.25Å; L35-K63 WeakPolarHBondContact O-CD 3.45Å; L35-K63 VanDerWaalsContact O-CE 3.29Å; L35-K63 WeakPolarHBondContact O-CE 3.36Å; D37-K63 PolarHBondContact O-NZ 3.14Å; G39-K63 WeakPolarHBondContact CA-O 3.48Å; L40-K63 PolarHBondContact N-O 2.96Å; L40-K63 VanDerWaalsContact N-O 3.14Å; N59-K63 PolarHBondContact O-N 3.02Å; L60-K63 PolarHBondContact O-N 2.83Å
64L97.6Very high97.3Very high0 Ų036.9 Ų36.90%019%0.193CC..SBendtrans-128.754.7176.6-50.8177.5000111F30 L40 L43 L46 L60 N66 L67 L87F30-L64 HydrophobicContact CZ-CD1 4.44Å; L40-L64 HydrophobicContact CB-CD2 3.74Å; L40-L64 HydrophobicContact CD1-CD2 4.39Å; L43-L64 HydrophobicContact CD2-CD1 4.46Å; L43-L64 HydrophobicContact CD2-CD2 4.16Å; L46-L64 HydrophobicContact CD2-CD1 3.96Å; L60-L64 HydrophobicContact CD1-CD1 3.63Å; L60-L64 HydrophobicContact CD1-CG 4.47Å; L60-L64 HydrophobicContact CG-CD1 4.5Å; L60-L64 PolarHBondContact O-N 3.15Å; L64-N66 PolarHBondContact O-N 2.78Å; L64-L67 HydrophobicContact CB-CD1 3.63Å; L64-L67 HydrophobicContact CB-CG 3.84Å; L64-L67 HydrophobicContact CD1-CD1 3.92Å; L64-L67 HydrophobicContact CG-CD1 4.45Å; L64-L67 WeakPolarHBondContact O-CG 3.25Å; L64-L67 PolarHBondContact O-N 3.39Å; L64-L87 VanDerWaalsContact O-CD2 3.29Å; L64-L87 WeakPolarHBondContact O-CD2 3.43Å
65P96.9Very high97.4Very high42 Ų4234.5 Ų34.527%0.27318%0.178SC..THydrogen-bonded Turntrans-69.6-12.3-168.530.2-37.2000113.9A61A61-P65 VanDerWaalsContact O-CA 3.28Å; A61-P65 WeakPolarHBondContact O-CA 3.32Å
66N98.1Very high97.5Very high43 Ų4335.5 Ų35.523%0.2318%0.182CC..THydrogen-bonded Turntrans-100.68.9-176.9-69.6-59.3000114.3Q41 L43 L64 V68 K89Q41-N66 PolarHBondContact O-ND2 2.9Å; L43-N66 CarbonylContact O-C 3.47Å; L43-N66 VanDerWaalsContact O-C 3.26Å; L64-N66 PolarHBondContact O-N 2.78Å; N66-V68 PolarHBondContact O-N 3.37Å; N66-K89 PolarHBondContact OD1-NZ 3.27Å
67L98.6Very high97.6Very high0 Ų035 Ų350%018%0.179CC..  trans-60.3129.4176.4-73.8173.2000111.9L43 L46 L64 L87 K89 L90L43-L67 HydrophobicContact CD2-CD2 4.16Å; L43-L67 HydrophobicContact CG-CD2 4.16Å; L43-L67 PolarHBondContact O-N 3.43Å; L46-L67 HydrophobicContact CB-CD2 3.86Å; L64-L67 HydrophobicContact CB-CD1 3.63Å; L64-L67 HydrophobicContact CB-CG 3.84Å; L64-L67 HydrophobicContact CD1-CD1 3.92Å; L64-L67 HydrophobicContact CG-CD1 4.45Å; L64-L67 WeakPolarHBondContact O-CG 3.25Å; L64-L67 PolarHBondContact O-N 3.39Å; L67-L87 HydrophobicContact CB-CD2 4.26Å; L67-L87 HydrophobicContact CD1-CD1 4.32Å; L67-L87 HydrophobicContact CD1-CD2 4.5Å; L67-K89 CarbonylContact O-C 3.47Å; L67-L90 HydrophobicContact CB-CD1 4.03Å; L67-L90 WeakPolarHBondContact O-CA 3.4Å; L67-L90 PolarHBondContact O-N 3.06Å
68V98.8Very high97.6Very high22 Ų2237.6 Ų37.613%0.13319%0.194CC..SBendtrans-107.7-36.3173.5-178.20000109.9E44 N66 Q91 C92E44-V68 HydrophobicContact CB-CG2 4.2Å; E44-V68 HydrophobicContact CG-CG2 4.44Å; E44-V68 WeakPolarHBondContact O-CA 3.41Å; E44-V68 PolarHBondContact O-N 3.17Å; N66-V68 PolarHBondContact O-N 3.37Å; V68-Q91 HydrophobicContact CG1-CB 4.05Å; V68-Q91 HydrophobicContact CG1-CG 3.96Å; V68-Q91 PolarHBondContact O-N 2.7Å; V68-C92 PolarHBondContact O-N 2.88Å; V68-C92 VanDerWaalsContact O-N 3.13Å
69E98.9Very high97.6Very high38 Ų3834.6 Ų34.618%0.17818%0.184CC..EExtended strand (participates in β ladder)trans-133.3130.3178.4-53.9175.5-145.900111.3E44 R45 L46 Y71 C92E44-E69 PolarHBondContact O-N 3.01Å; R45-E69 WeakPolarHBondContact CA-O 3.32Å; R45-E69 HydrophobicContact CB-CB 4.33Å; R45-E69 WeakPolarHBondContact CD-OE1 3.32Å; R45-E69 HydrophobicContact CG-CB 4Å; R45-E69 HydrophobicContact CG-CG 4.17Å; R45-E69 IonicContact CZ-OE1 2.83Å; R45-E69 IonicContact NE-OE1 3.8Å; R45-E69 PolarHBondContact NE-OE1 2.89Å; R45-E69 IonicContact NE-OE2 3.81Å; R45-E69 IonicContact NH2-OE1 2.66Å; L46-E69 PolarHBondContact N-O 3.27Å; E69-Y71 HydrophobicContact CB-CD2 4.34Å; E69-Y71 HydrophobicContact CB-CE2 3.62Å; E69-Y71 HydrophobicContact CG-CE2 4.42Å; E69-Y71 WeakPolarHBondContact OE2-CE2 3.45Å; E69-Y71 PolarHBondContact OE2-OH 3.5Å; E69-C92 WeakPolarHBondContact CA-O 3.47Å; E69-C92 HydrophobicContact CB-CB 4.28Å; E69-C92 HydrophobicContact CG-CB 4.02Å
70L98.8Very high97.6Very high1 Ų132 Ų321%0.00517%0.171CC..EExtended strand (participates in β ladder)trans-129.6112.5176.9178.557.8000109.9L46 L60 L72 I84 L90 C92 L93 D94L46-L70 HydrophobicContact CB-CD1 3.95Å; L46-L70 HydrophobicContact CD2-CD1 3.93Å; L46-L70 HydrophobicContact CG-CD1 4.04Å; L60-L70 HydrophobicContact CD2-CD2 4.22Å; L70-L72 HydrophobicContact CD1-CD1 4.02Å; L70-L72 HydrophobicContact CD1-CD2 4.46Å; L70-L72 HydrophobicContact CD1-CG 3.95Å; L70-L72 HydrophobicContact CD2-CD1 3.78Å; L70-L72 HydrophobicContact CG-CD1 3.76Å; L70-L72 HydrophobicContact CG-CG 4.03Å; L70-I84 HydrophobicContact CD2-CD1 4.03Å; L70-L90 HydrophobicContact CB-CD1 3.96Å; L70-C92 PolarHBondContact N-O 3.33Å; L70-L93 HydrophobicContact CB-CD1 4.02Å; L70-L93 HydrophobicContact CD2-CD1 3.9Å; L70-L93 HydrophobicContact CG-CD1 4Å; L70-D94 PolarHBondContact O-N 3.22Å
71Y98.9Very high97.6Very high46 Ų4632.1 Ų32.118%0.1817%0.172CC..EExtended strand (participates in β ladder)trans-109.7109.1179.8-61.1-85.7000110.6L46 Y47 M48 E69 D94L46-Y71 PolarHBondContact O-N 3.35Å; Y47-Y71 AromaticContact CD1-CD2 3.27Å; Y47-Y71 HydrophobicContact CD1-CD2 3.27Å; Y47-Y71 AromaticContact CD1-CE2 3.88Å; Y47-Y71 HydrophobicContact CD1-CE2 3.88Å; Y47-Y71 AromaticContact CD1-CG 3.88Å; Y47-Y71 HydrophobicContact CD1-CG 3.88Å; Y47-Y71 AromaticContact CE1-CD2 3.19Å; Y47-Y71 HydrophobicContact CE1-CD2 3.19Å; Y47-Y71 AromaticContact CE1-CE2 3.26Å; Y47-Y71 HydrophobicContact CE1-CE2 3.26Å; Y47-Y71 HydrophobicContact CE1-CG 4.1Å; Y47-Y71 HydrophobicContact CG-CD2 4.17Å; Y47-Y71 AromaticContact CZ-CE2 3.9Å; M48-Y71 CarbonylContact C-O 3.33Å; M48-Y71 PolarHBondContact N-O 2.76Å; E69-Y71 HydrophobicContact CB-CD2 4.34Å; E69-Y71 HydrophobicContact CB-CE2 3.62Å; E69-Y71 HydrophobicContact CG-CE2 4.42Å; E69-Y71 WeakPolarHBondContact OE2-CE2 3.45Å; E69-Y71 PolarHBondContact OE2-OH 3.5Å; Y71-D94 HydrophobicContact CD1-CB 3.7Å; Y71-D94 HydrophobicContact CE1-CB 4.33Å
72L98.7Very high97.6Very high0 Ų037.8 Ų37.80%020%0.197CC..  trans-121.311.5-178.5-71.8165.3000112.3M48 L53 L56 L70 N75 I77 D94 L95 N98M48-L72 HydrophobicContact CB-CD2 3.79Å; M48-L72 HydrophobicContact SD-CD2 4.49Å; L53-L72 HydrophobicContact CD1-CD2 3.92Å; L56-L72 HydrophobicContact CD1-CD1 3.53Å; L56-L72 HydrophobicContact CD2-CD1 3.78Å; L56-L72 HydrophobicContact CD2-CD2 3.97Å; L56-L72 HydrophobicContact CG-CD1 4.22Å; L70-L72 HydrophobicContact CD1-CD1 4.02Å; L70-L72 HydrophobicContact CD1-CD2 4.46Å; L70-L72 HydrophobicContact CD1-CG 3.95Å; L70-L72 HydrophobicContact CD2-CD1 3.78Å; L70-L72 HydrophobicContact CG-CD1 3.76Å; L70-L72 HydrophobicContact CG-CG 4.03Å; L72-N75 PolarHBondContact O-ND2 2.81Å; L72-I77 HydrophobicContact CB-CD1 3.93Å; L72-I77 HydrophobicContact CD1-CD1 4.15Å; L72-I77 HydrophobicContact CD2-CD1 4.25Å; L72-I77 HydrophobicContact CG-CD1 4.36Å; L72-D94 CarbonylContact C-O 3.53Å; L72-D94 WeakPolarHBondContact CA-O 3.28Å; L72-D94 PolarHBondContact N-O 2.8Å; L72-L95 HydrophobicContact CB-CD2 3.98Å; L72-L95 HydrophobicContact CD1-CD2 3.9Å; L72-N98 PolarHBondContact O-ND2 2.92Å
73H98.8Very high97.5Very high33 Ų3332.5 Ų32.515%0.15318%0.176CC..  trans-63.4152.5-175.776.885.7000113K49 R50 D94 S96K49-H73 WeakPolarHBondContact CA-O 3.03Å; K49-H73 VanDerWaalsContact CB-O 3.27Å; K49-H73 WeakPolarHBondContact CB-O 3.45Å; K49-H73 WeakPolarHBondContact CD-CE1 3.36Å; K49-H73 WeakPolarHBondContact CD-NE2 3.38Å; R50-H73 PolarHBondContact N-O 3.36Å; R50-H73 VanDerWaalsContact N-O 3.07Å; H73-D94 WeakPolarHBondContact CB-OD1 3.49Å; H73-D94 IonicContact CD2-OD2 2.95Å; H73-D94 PolarHBondContact CD2-OD2 3.4Å; H73-D94 IonicContact CG-OD2 2.78Å; H73-D94 PolarHBondContact N-O 2.98Å; H73-S96 CarbonylContact C-O 3.58Å; H73-S96 WeakPolarHBondContact CA-O 3.33Å; H73-S96 VanDerWaalsContact CB-O 3.26Å; H73-S96 WeakPolarHBondContact CB-O 3.41Å
74S98.7Very high97.5Very high29 Ų2930.8 Ų30.820%0.20317%0.169CC..SBendtrans59.758.3-175.7-42.30000111.8R50 N51 S96 D97R50-S74 WeakPolarHBondContact CA-O 3.27Å; R50-S74 PolarHBondContact N-O 2.66Å; R50-S74 VanDerWaalsContact N-O 3.1Å; N51-S74 PolarHBondContact N-O 3.15Å; S74-S96 PolarHBondContact N-O 3.33Å; S74-D97 CarbonylContact C-O 3.58Å; S74-D97 WeakPolarHBondContact CA-O 3.42Å; S74-D97 PolarHBondContact N-O 3.15Å; S74-D97 PolarHBondContact OG-OD2 2.84Å
75N98.8Very high97.3Very high7 Ų731.3 Ų31.34%0.03717%0.174CC..SBendtrans-129.6-167.5171.3-85.3-80.1000108.7M48 N51 S52 L53 L72 I77 D97 N98M48-N75 PolarHBondContact O-ND2 3.34Å; N51-N75 VanDerWaalsContact CA-OD1 3.3Å; N51-N75 WeakPolarHBondContact CA-OD1 3.22Å; N51-N75 WeakPolarHBondContact CB-OD1 3.33Å; N51-N75 PolarHBondContact N-OD1 2.71Å; N51-N75 PolarHBondContact O-OD1 3.27Å; S52-N75 PolarHBondContact N-OD1 2.9Å; L53-N75 HydrophobicContact CB-CB 4.26Å; L53-N75 WeakPolarHBondContact CB-OD1 3.26Å; L53-N75 VanDerWaalsContact CG-OD1 3.28Å; L53-N75 WeakPolarHBondContact CG-OD1 3.48Å; L53-N75 PolarHBondContact N-OD1 3.08Å; L72-N75 PolarHBondContact O-ND2 2.81Å; N75-I77 HydrophobicContact CB-CD1 4.24Å; N75-I77 HydrophobicContact CB-CG1 4.02Å; N75-D97 PolarHBondContact N-O 2.77Å; N75-D97 VanDerWaalsContact N-O 3.09Å; N75-D97 VanDerWaalsContact O-O 3.1Å; N75-N98 WeakPolarHBondContact CA-OD1 3.09Å; N75-N98 WeakPolarHBondContact CB-OD1 3.35Å; N75-N98 PolarHBondContact O-OD1 2.92Å
76N98.4Very high97.3Very high83 Ų8333.2 Ų33.244%0.44419%0.189SC..  trans-115.730.7177.4-56.8-45.1000111.3L53 T54 V78 N98L53-N76 CarbonylContact O-C 3.04Å; L53-N76 VanDerWaalsContact O-CA 3.27Å; L53-N76 WeakPolarHBondContact O-CA 3.32Å; L53-N76 PolarHBondContact O-N 3.27Å; T54-N76 WeakPolarHBondContact CA-O 3.45Å; T54-N76 HydrophobicContact CG2-CB 4.29Å; N76-V78 PolarHBondContact O-N 3.17Å; N76-N98 PolarHBondContact N-OD1 3.31Å
77I98.4Very high97.3Very high0 Ų031.2 Ų31.20%018%0.178CC..  trans-67.9124-171.9-60.5170000108.9L53 T54 L56 L72 N75 V79 V80 L95 N98 A99 L100L53-I77 HydrophobicContact CB-CG1 4.22Å; L53-I77 WeakPolarHBondContact O-CG1 3.39Å; L53-I77 PolarHBondContact O-N 2.83Å; L53-I77 VanDerWaalsContact O-N 3.09Å; T54-I77 WeakPolarHBondContact O-CA 3.29Å; L56-I77 HydrophobicContact CD2-CD1 4.27Å; L56-I77 HydrophobicContact CG-CD1 4.41Å; L72-I77 HydrophobicContact CB-CD1 3.93Å; L72-I77 HydrophobicContact CD1-CD1 4.15Å; L72-I77 HydrophobicContact CD2-CD1 4.25Å; L72-I77 HydrophobicContact CG-CD1 4.36Å; N75-I77 HydrophobicContact CB-CD1 4.24Å; N75-I77 HydrophobicContact CB-CG1 4.02Å; I77-V79 WeakPolarHBondContact CG2-O 3.5Å; I77-V80 HydrophobicContact CG2-CG2 4.36Å; I77-L95 HydrophobicContact CD1-CD2 4.19Å; I77-N98 HydrophobicContact CB-CB 4.31Å; I77-N98 VanDerWaalsContact CB-OD1 3.26Å; I77-N98 WeakPolarHBondContact CB-OD1 3.46Å; I77-N98 WeakPolarHBondContact CG1-OD1 3.29Å; I77-N98 PolarHBondContact N-OD1 3.37Å; I77-A99 CarbonylContact O-C 3.25Å; I77-A99 VanDerWaalsContact O-C 3.25Å; I77-A99 WeakPolarHBondContact O-CA 3.32Å; I77-A99 PolarHBondContact O-N 3.15Å; I77-L100 HydrophobicContact CG2-CD2 3.97Å; I77-L100 PolarHBondContact O-N 2.93Å
78V97.6Very high97.1Very high74 Ų7435.3 Ų35.345%0.44820%0.203SC..  trans-99.2-24.7178-63.60000112.7T54 N76 A99T54-V78 PolarHBondContact O-N 3.25Å; T54-V78 VanDerWaalsContact O-N 3.08Å; N76-V78 PolarHBondContact O-N 3.17Å; V78-A99 HydrophobicContact CG1-CB 3.97Å
79V94.1Very high97Very high66 Ų6639.1 Ų39.140%0.422%0.217SC..BIsolated β-bridgetrans-146.1142.3-179.466.60000111.1T55 I77T55-V79 HydrophobicContact CG2-CG1 4.14Å; I77-V79 WeakPolarHBondContact CG2-O 3.5Å
80V95.3Very high97Very high4 Ų437.3 Ų37.32%0.02421%0.209CC..  trans-107.7129170.41780000107.6L56 I77 I84 L95 L100L56-V80 HydrophobicContact CD1-CG1 4.36Å; I77-V80 HydrophobicContact CG2-CG2 4.36Å; V80-I84 HydrophobicContact CG1-CB 3.76Å; V80-I84 HydrophobicContact CG1-CD1 4.39Å; V80-I84 HydrophobicContact CG1-CG1 3.98Å; V80-I84 HydrophobicContact CG1-CG2 3.71Å; V80-L95 HydrophobicContact CG2-CD1 3.75Å; V80-L95 HydrophobicContact CG2-CD2 4.01Å; V80-L100 HydrophobicContact CG2-CD2 4.05Å
81P95.3Very high97Very high5 Ų540.5 Ų40.53%0.03222%0.224CC..  trans-64.3146.4-178.626.9-35.2000111L56 E58 A83 I84L56-P81 HydrophobicContact CB-CG 3.97Å; E58-P81 VanDerWaalsContact OE2-CB 3.32Å; E58-P81 WeakPolarHBondContact OE2-CB 3.5Å; P81-A83 PolarHBondContact O-N 3.18Å; P81-A83 VanDerWaalsContact O-N 3.15Å; P81-I84 WeakPolarHBondContact O-CB 3.1Å; P81-I84 VanDerWaalsContact O-CG2 3.26Å; P81-I84 WeakPolarHBondContact O-CG2 3.44Å; P81-I84 PolarHBondContact O-N 2.88Å
82E96.1Very high97Very high127 Ų12738.9 Ų38.959%0.59322%0.219SC*.G310 helixtrans-55.3-33.6177.7-64-176.917900111.7I84 G85 C104 E106E82-I84 PolarHBondContact O-N 3.21Å; E82-G85 PolarHBondContact O-N 3.02Å; E82-C104 HydrophobicContact CG-CB 4.38Å; E82-E106 HydrophobicContact CB-CG 3.94Å; E82-E106 WeakPolarHBondContact O-CB 3.5Å
83A94Very high97Very high24 Ų2438.9 Ų38.920%0.19822%0.219CC..G310 helixtrans-54.9-20.6176.800000114.1E58 A61 P81 G85 S86E58-A83 WeakPolarHBondContact O-CB 3.32Å; A61-A83 WeakPolarHBondContact CB-O 3.27Å; P81-A83 PolarHBondContact O-N 3.18Å; P81-A83 VanDerWaalsContact O-N 3.15Å; A83-G85 PolarHBondContact O-N 3.15Å; A83-G85 VanDerWaalsContact O-N 3.15Å; A83-S86 WeakPolarHBondContact O-CB 3.4Å; A83-S86 PolarHBondContact O-N 3.01Å
84I95.9Very high97Very high2 Ų238.1 Ų38.11%0.0122%0.216CC..G310 helixtrans-52.6-36.3174.1-160.573.7000111.5L60 L70 V80 P81 E82 S86 L87 L93 I107 L110L60-I84 HydrophobicContact CD2-CD1 4.09Å; L70-I84 HydrophobicContact CD2-CD1 4.03Å; V80-I84 HydrophobicContact CG1-CB 3.76Å; V80-I84 HydrophobicContact CG1-CD1 4.39Å; V80-I84 HydrophobicContact CG1-CG1 3.98Å; V80-I84 HydrophobicContact CG1-CG2 3.71Å; P81-I84 WeakPolarHBondContact O-CB 3.1Å; P81-I84 VanDerWaalsContact O-CG2 3.26Å; P81-I84 WeakPolarHBondContact O-CG2 3.44Å; P81-I84 PolarHBondContact O-N 2.88Å; E82-I84 PolarHBondContact O-N 3.21Å; I84-S86 PolarHBondContact O-N 3.04Å; I84-L87 HydrophobicContact CD1-CD1 3.59Å; I84-L87 HydrophobicContact CG1-CD1 4.34Å; I84-L87 WeakPolarHBondContact O-CB 3.49Å; I84-L87 PolarHBondContact O-N 2.98Å; I84-L93 HydrophobicContact CG1-CD2 4.38Å; I84-I107 HydrophobicContact CG2-CD1 4.44Å; I84-I107 HydrophobicContact CG2-CG1 3.8Å; I84-L110 WeakPolarHBondContact O-CD2 3.37Å
85G95.1Very high97Very high11 Ų1136.8 Ų36.811%0.11321%0.207CC..G310 helixtrans-62.9-14.6-179.900000114.4E82 A83 L87 E106E82-G85 PolarHBondContact O-N 3.02Å; A83-G85 PolarHBondContact O-N 3.15Å; A83-G85 VanDerWaalsContact O-N 3.15Å; G85-L87 VanDerWaalsContact C-N 3.33Å; G85-E106 WeakPolarHBondContact CA-O 3.24Å
86S96.3Very high97Very high83 Ų8337 Ų3758%0.5821%0.209SC*.G310 helixtrans-82.4-7.3175.8-610000113.6A83 I84 V88A83-S86 WeakPolarHBondContact O-CB 3.4Å; A83-S86 PolarHBondContact O-N 3.01Å; I84-S86 PolarHBondContact O-N 3.04Å; S86-V88 PolarHBondContact O-N 3.14Å
87L96.9Very high97Very high0 Ų036.1 Ų36.10%020%0.204CC..  trans-76.668.4174.7-67.2175.7000111.4A61 L64 L67 I84 G85 K89 L90 L110A61-L87 HydrophobicContact CB-CD2 3.83Å; A61-L87 HydrophobicContact CB-CG 3.83Å; L64-L87 VanDerWaalsContact O-CD2 3.29Å; L64-L87 WeakPolarHBondContact O-CD2 3.43Å; L67-L87 HydrophobicContact CB-CD2 4.26Å; L67-L87 HydrophobicContact CD1-CD1 4.32Å; L67-L87 HydrophobicContact CD1-CD2 4.5Å; I84-L87 HydrophobicContact CD1-CD1 3.59Å; I84-L87 HydrophobicContact CG1-CD1 4.34Å; I84-L87 WeakPolarHBondContact O-CB 3.49Å; I84-L87 PolarHBondContact O-N 2.98Å; G85-L87 VanDerWaalsContact C-N 3.33Å; L87-K89 PolarHBondContact O-N 3.32Å; L87-L90 HydrophobicContact CB-CB 3.92Å; L87-L90 HydrophobicContact CB-CD2 4.42Å; L87-L90 HydrophobicContact CD1-CD1 4.43Å; L87-L90 HydrophobicContact CD1-CD2 4.12Å; L87-L90 VanDerWaalsContact O-CB 3.27Å; L87-L90 WeakPolarHBondContact O-CB 3.37Å; L87-L90 PolarHBondContact O-N 3.42Å; L87-L110 HydrophobicContact CB-CD2 3.99Å; L87-L110 WeakPolarHBondContact O-CD2 3.1Å
88V95.1Very high97Very high86 Ų8636.9 Ų36.952%0.52121%0.208SC..THydrogen-bonded Turntrans-61.1-15.2-173.2-61.80000115S86 A112S86-V88 PolarHBondContact O-N 3.14Å; V88-A112 VanDerWaalsContact O-CB 3.24Å; V88-A112 WeakPolarHBondContact O-CB 3.42Å
89K97.9Very high97.1Very high102 Ų10234.3 Ų34.344%0.44320%0.195SC..THydrogen-bonded Turntrans-96.1-7.5177.4-61.6-172.7-176.9179.80113.8N66 L67 L87 Q91N66-K89 PolarHBondContact OD1-NZ 3.27Å; L67-K89 CarbonylContact O-C 3.47Å; L87-K89 PolarHBondContact O-N 3.32Å; K89-Q91 PolarHBondContact O-N 3.27Å
90L98.6Very high97.2Very high0 Ų031.2 Ų31.20%018%0.176CC..  trans-68121.9-174.6-161.972.5000110.1L67 L70 L87 L93 L110 A112 L113L67-L90 HydrophobicContact CB-CD1 4.03Å; L67-L90 WeakPolarHBondContact O-CA 3.4Å; L67-L90 PolarHBondContact O-N 3.06Å; L70-L90 HydrophobicContact CB-CD1 3.96Å; L87-L90 HydrophobicContact CB-CB 3.92Å; L87-L90 HydrophobicContact CB-CD2 4.42Å; L87-L90 HydrophobicContact CD1-CD1 4.43Å; L87-L90 HydrophobicContact CD1-CD2 4.12Å; L87-L90 VanDerWaalsContact O-CB 3.27Å; L87-L90 WeakPolarHBondContact O-CB 3.37Å; L87-L90 PolarHBondContact O-N 3.42Å; L90-L93 HydrophobicContact CD2-CB 3.94Å; L90-L93 HydrophobicContact CD2-CD1 4.39Å; L90-L93 HydrophobicContact CD2-CD2 4.3Å; L90-L93 HydrophobicContact CD2-CG 4.44Å; L90-L110 HydrophobicContact CB-CD2 4.27Å; L90-L110 HydrophobicContact CD2-CD1 4.19Å; L90-L110 HydrophobicContact CD2-CD2 4.36Å; L90-A112 CarbonylContact O-C 3.54Å; L90-L113 HydrophobicContact CD2-CD1 4.47Å; L90-L113 HydrophobicContact CG-CD1 4.44Å; L90-L113 WeakPolarHBondContact O-CA 3.09Å; L90-L113 PolarHBondContact O-N 3.21Å; L90-L113 VanDerWaalsContact O-N 3.08Å
91Q98.6Very high97.3Very high68 Ų6836 Ų3632%0.31820%0.198SC..  trans-106.4-30.2179.8-66.6178.234.200112.1V68 K89 A112 R114 H115V68-Q91 HydrophobicContact CG1-CB 4.05Å; V68-Q91 HydrophobicContact CG1-CG 3.96Å; V68-Q91 PolarHBondContact O-N 2.7Å; K89-Q91 PolarHBondContact O-N 3.27Å; Q91-A112 WeakPolarHBondContact CA-O 3.38Å; Q91-A112 HydrophobicContact CG-CB 4.33Å; Q91-R114 PolarHBondContact O-N 3Å; Q91-H115 PolarHBondContact O-N 3.42Å
92C98.8Very high97.2Very high12 Ų1241.1 Ų41.18%0.08122%0.224CC..EExtended strand (participates in β ladder)trans-131.1124.5179.2-170.10000110.4V68 E69 L70 H115V68-C92 PolarHBondContact O-N 2.88Å; V68-C92 VanDerWaalsContact O-N 3.13Å; E69-C92 WeakPolarHBondContact CA-O 3.47Å; E69-C92 HydrophobicContact CB-CB 4.28Å; E69-C92 HydrophobicContact CG-CB 4.02Å; L70-C92 PolarHBondContact N-O 3.33Å; C92-H115 WeakPolarHBondContact CA-O 3.14Å
93L98.7Very high97.1Very high1 Ų135.7 Ų35.71%0.00520%0.2CC..EExtended strand (participates in β ladder)trans-126.7117.8171.6178.856.3000109.2L70 I84 L90 L95 I107 L110 L113 H115 L116 R117L70-L93 HydrophobicContact CB-CD1 4.02Å; L70-L93 HydrophobicContact CD2-CD1 3.9Å; L70-L93 HydrophobicContact CG-CD1 4Å; I84-L93 HydrophobicContact CG1-CD2 4.38Å; L90-L93 HydrophobicContact CD2-CB 3.94Å; L90-L93 HydrophobicContact CD2-CD1 4.39Å; L90-L93 HydrophobicContact CD2-CD2 4.3Å; L90-L93 HydrophobicContact CD2-CG 4.44Å; L93-L95 HydrophobicContact CD1-CD1 4.14Å; L93-L95 HydrophobicContact CD1-CG 4.01Å; L93-L95 HydrophobicContact CD2-CD1 3.81Å; L93-L95 HydrophobicContact CG-CD1 3.88Å; L93-L95 HydrophobicContact CG-CG 4.08Å; L93-I107 HydrophobicContact CD2-CD1 3.94Å; L93-L110 HydrophobicContact CD2-CD1 4.41Å; L93-L113 HydrophobicContact CB-CD1 4Å; L93-H115 PolarHBondContact N-O 3.13Å; L93-L116 HydrophobicContact CB-CD1 4.05Å; L93-L116 HydrophobicContact CD2-CD1 3.97Å; L93-L116 HydrophobicContact CG-CD1 4.06Å; L93-R117 PolarHBondContact O-N 2.97Å
94D98.8Very high97.1Very high16 Ų1635.3 Ų35.39%0.08620%0.196CC..EExtended strand (participates in β ladder)trans-114.6110176.7-165.9-8.2000111.3L70 Y71 L72 H73 S96 R117L70-D94 PolarHBondContact O-N 3.22Å; Y71-D94 HydrophobicContact CD1-CB 3.7Å; Y71-D94 HydrophobicContact CE1-CB 4.33Å; L72-D94 CarbonylContact C-O 3.53Å; L72-D94 WeakPolarHBondContact CA-O 3.28Å; L72-D94 PolarHBondContact N-O 2.8Å; H73-D94 WeakPolarHBondContact CB-OD1 3.49Å; H73-D94 IonicContact CD2-OD2 2.95Å; H73-D94 PolarHBondContact CD2-OD2 3.4Å; H73-D94 IonicContact CG-OD2 2.78Å; H73-D94 PolarHBondContact N-O 2.98Å; D94-S96 VanDerWaalsContact OD1-CB 3.32Å; D94-S96 WeakPolarHBondContact OD1-CB 3.16Å; D94-S96 PolarHBondContact OD1-N 2.89Å; D94-S96 PolarHBondContact OD1-OG 2.87Å; D94-R117 HydrophobicContact CB-CB 4.28Å; D94-R117 VanDerWaalsContact CG-CD 3.48Å; D94-R117 WeakPolarHBondContact OD1-CB 3.11Å; D94-R117 WeakPolarHBondContact OD2-CD 3.35Å
95L98.7Very high97Very high1 Ų138.7 Ų38.71%0.00522%0.218CC..  trans-118.818.5178.3-71.5163.9000111L72 I77 V80 L93 N98 L100 R117 L118 N121L72-L95 HydrophobicContact CB-CD2 3.98Å; L72-L95 HydrophobicContact CD1-CD2 3.9Å; I77-L95 HydrophobicContact CD1-CD2 4.19Å; V80-L95 HydrophobicContact CG2-CD1 3.75Å; V80-L95 HydrophobicContact CG2-CD2 4.01Å; L93-L95 HydrophobicContact CD1-CD1 4.14Å; L93-L95 HydrophobicContact CD1-CG 4.01Å; L93-L95 HydrophobicContact CD2-CD1 3.81Å; L93-L95 HydrophobicContact CG-CD1 3.88Å; L93-L95 HydrophobicContact CG-CG 4.08Å; L95-N98 PolarHBondContact O-ND2 3.22Å; L95-L100 HydrophobicContact CB-CD1 3.95Å; L95-L100 HydrophobicContact CD1-CD1 4.18Å; L95-L100 HydrophobicContact CG-CD1 4.5Å; L95-R117 CarbonylContact C-O 3.6Å; L95-R117 WeakPolarHBondContact CA-O 3.44Å; L95-R117 PolarHBondContact N-O 2.89Å; L95-L118 HydrophobicContact CB-CD2 3.98Å; L95-L118 HydrophobicContact CD1-CD2 4.1Å; L95-N121 PolarHBondContact O-ND2 2.87Å
96S98.8Very high97Very high13 Ų1341.4 Ų41.49%0.09123%0.227CC..  trans-63.5156180-440000111.7H73 S74 D94 N98 R117 A119H73-S96 CarbonylContact C-O 3.58Å; H73-S96 WeakPolarHBondContact CA-O 3.33Å; H73-S96 VanDerWaalsContact CB-O 3.26Å; H73-S96 WeakPolarHBondContact CB-O 3.41Å; S74-S96 PolarHBondContact N-O 3.33Å; D94-S96 VanDerWaalsContact OD1-CB 3.32Å; D94-S96 WeakPolarHBondContact OD1-CB 3.16Å; D94-S96 PolarHBondContact OD1-N 2.89Å; D94-S96 PolarHBondContact OD1-OG 2.87Å; S96-N98 PolarHBondContact O-ND2 2.87Å; S96-N98 VanDerWaalsContact O-ND2 3.15Å; S96-R117 PolarHBondContact N-O 3.25Å; S96-R117 VanDerWaalsContact OG-CB 3.25Å; S96-R117 WeakPolarHBondContact OG-CB 3.29Å; S96-A119 CarbonylContact C-O 3.58Å; S96-A119 WeakPolarHBondContact CA-O 3.31Å; S96-A119 WeakPolarHBondContact CB-O 3.4Å
97D98.7Very high96.9Very high64 Ų6437.5 Ų37.534%0.34220%0.2SC..SBendtrans53.956.8-179.5-47.5-62.1000111.7S74 N75 A119 N120S74-D97 CarbonylContact C-O 3.58Å; S74-D97 WeakPolarHBondContact CA-O 3.42Å; S74-D97 PolarHBondContact N-O 3.15Å; S74-D97 PolarHBondContact OG-OD2 2.84Å; N75-D97 PolarHBondContact N-O 2.77Å; N75-D97 VanDerWaalsContact N-O 3.09Å; N75-D97 VanDerWaalsContact O-O 3.1Å; D97-A119 PolarHBondContact N-O 2.94Å; D97-N120 WeakPolarHBondContact CA-O 3.22Å; D97-N120 PolarHBondContact N-O 3.47Å; D97-N120 VanDerWaalsContact OD1-CB 3.22Å; D97-N120 WeakPolarHBondContact OD1-CB 3.04Å; D97-N120 VanDerWaalsContact OD1-CG 3.31Å; D97-N120 PolarHBondContact OD1-ND2 3.08Å
98N98.8Very high96.6Very high15 Ų1538.7 Ų38.78%0.0821%0.212CC..SBendtrans-129.5-169.5173.8-83.8-79.7000109.1L72 N75 N76 I77 L95 S96 L100 N120 N121L72-N98 PolarHBondContact O-ND2 2.92Å; N75-N98 WeakPolarHBondContact CA-OD1 3.09Å; N75-N98 WeakPolarHBondContact CB-OD1 3.35Å; N75-N98 PolarHBondContact O-OD1 2.92Å; N76-N98 PolarHBondContact N-OD1 3.31Å; I77-N98 HydrophobicContact CB-CB 4.31Å; I77-N98 VanDerWaalsContact CB-OD1 3.26Å; I77-N98 WeakPolarHBondContact CB-OD1 3.46Å; I77-N98 WeakPolarHBondContact CG1-OD1 3.29Å; I77-N98 PolarHBondContact N-OD1 3.37Å; L95-N98 PolarHBondContact O-ND2 3.22Å; S96-N98 PolarHBondContact O-ND2 2.87Å; S96-N98 VanDerWaalsContact O-ND2 3.15Å; N98-L100 HydrophobicContact CB-CG 4.3Å; N98-N120 PolarHBondContact N-O 3.24Å; N98-N121 WeakPolarHBondContact CA-OD1 3.32Å; N98-N121 WeakPolarHBondContact CB-OD1 3.21Å; N98-N121 PolarHBondContact N-OD1 3.38Å; N98-N121 PolarHBondContact O-OD1 3.32Å
99A98.1Very high96.4Very high21 Ų2136.3 Ų36.317%0.17421%0.205CC..  trans-114.132.9-179.900000111.5I77 V78 E101 N121I77-A99 CarbonylContact O-C 3.25Å; I77-A99 VanDerWaalsContact O-C 3.25Å; I77-A99 WeakPolarHBondContact O-CA 3.32Å; I77-A99 PolarHBondContact O-N 3.15Å; V78-A99 HydrophobicContact CG1-CB 3.97Å; A99-E101 PolarHBondContact O-N 2.97Å; A99-N121 PolarHBondContact N-OD1 3.29Å
100L98Very high96.3Very high0 Ų031.5 Ų31.50%018%0.184CC..  trans-70.1120.6-178.3-61.5172.3000110.4I77 V80 L95 N98 V103 L118 N121 Q122 L123I77-L100 HydrophobicContact CG2-CD2 3.97Å; I77-L100 PolarHBondContact O-N 2.93Å; V80-L100 HydrophobicContact CG2-CD2 4.05Å; L95-L100 HydrophobicContact CB-CD1 3.95Å; L95-L100 HydrophobicContact CD1-CD1 4.18Å; L95-L100 HydrophobicContact CG-CD1 4.5Å; N98-L100 HydrophobicContact CB-CG 4.3Å; L100-V103 HydrophobicContact CD1-CG2 4.39Å; L100-L118 HydrophobicContact CD1-CD2 3.93Å; L100-N121 HydrophobicContact CB-CB 4.17Å; L100-N121 VanDerWaalsContact CB-OD1 3.29Å; L100-N121 WeakPolarHBondContact CB-OD1 3.49Å; L100-N121 WeakPolarHBondContact CG-OD1 3.47Å; L100-N121 PolarHBondContact N-OD1 3.08Å; L100-Q122 CarbonylContact O-C 3.18Å; L100-Q122 WeakPolarHBondContact O-CA 2.91Å; L100-Q122 PolarHBondContact O-N 2.97Å; L100-L123 HydrophobicContact CB-CD2 3.86Å; L100-L123 WeakPolarHBondContact O-CD2 3.17Å; L100-L123 PolarHBondContact O-N 3.23Å
101E96Very high95.9Very high104 Ų10440.9 Ų40.949%0.48622%0.219SC..SBendtrans-92-30169.7-67.1-178.2-154.800112A99 Q122 L123 Q124A99-E101 PolarHBondContact O-N 2.97Å; E101-Q122 HydrophobicContact CG-CB 4.16Å; E101-L123 WeakPolarHBondContact O-CA 3.36Å; E101-Q124 PolarHBondContact O-N 2.95Å
102I93.9Very high95.8Very high114 Ų11438.8 Ų38.859%0.58521%0.213SC*.  trans-136.2157.9177.262.3170.2000110.4
103V93.3Very high95.8Very high13 Ų1338.3 Ų38.38%0.07921%0.21CC..  trans-121.7135.5168.51680000107.8L100 I107 L118 L123 P127L100-V103 HydrophobicContact CD1-CG2 4.39Å; V103-I107 HydrophobicContact CG1-CB 4.04Å; V103-I107 HydrophobicContact CG1-CD1 3.4Å; V103-I107 HydrophobicContact CG1-CG1 3.72Å; V103-I107 HydrophobicContact CG1-CG2 4.48Å; V103-L118 HydrophobicContact CG2-CD1 4.19Å; V103-L118 HydrophobicContact CG2-CD2 3.88Å; V103-L123 HydrophobicContact CG2-CD1 4.34Å; V103-L123 HydrophobicContact CG2-CD2 3.76Å; V103-P127 HydrophobicContact CB-CG 4.31Å; V103-P127 HydrophobicContact CG1-CG 4.04Å
104C93.8Very high95.7Very high16 Ų1642.7 Ų42.711%0.10823%0.227CC..  trans-64.6144-179.261.20000111.8E82 E106 I107E82-C104 HydrophobicContact CG-CB 4.38Å; C104-E106 WeakPolarHBondContact CB-OE2 3.44Å; C104-E106 PolarHBondContact O-N 3.26Å; C104-E106 VanDerWaalsContact O-N 3.16Å; C104-I107 PolarHBondContact O-N 2.82Å
105P94.4Very high95.7Very high73 Ų7344.6 Ų44.647%0.47424%0.235SC..G310 helixtrans-56.5-27.8178.2-26.135.5000114.7I107 G108P105-I107 PolarHBondContact O-N 2.84Å; P105-I107 VanDerWaalsContact O-N 3.15Å; P105-G108 PolarHBondContact O-N 3.07Å
106E95.3Very high95.7Very high67 Ų6744.5 Ų44.531%0.31324%0.235SC..G310 helixtrans-64.2-18.7-176.4-67.967.8-14300112.8E82 G85 C104 G108 G109E82-E106 HydrophobicContact CB-CG 3.94Å; E82-E106 WeakPolarHBondContact O-CB 3.5Å; G85-E106 WeakPolarHBondContact CA-O 3.24Å; C104-E106 WeakPolarHBondContact CB-OE2 3.44Å; C104-E106 PolarHBondContact O-N 3.26Å; C104-E106 VanDerWaalsContact O-N 3.16Å; E106-G108 PolarHBondContact O-N 2.96Å; E106-G109 WeakPolarHBondContact O-CA 3.18Å; E106-G109 PolarHBondContact O-N 3.2Å
107I94.3Very high95.7Very high2 Ų247.9 Ų47.91%0.0125%0.245CC..G310 helixtrans-56.6-31.1167.6-70.2-150.3000111.2I84 L93 V103 C104 P105 G109 L110 L113 L116 L130I84-I107 HydrophobicContact CG2-CD1 4.44Å; I84-I107 HydrophobicContact CG2-CG1 3.8Å; L93-I107 HydrophobicContact CD2-CD1 3.94Å; V103-I107 HydrophobicContact CG1-CB 4.04Å; V103-I107 HydrophobicContact CG1-CD1 3.4Å; V103-I107 HydrophobicContact CG1-CG1 3.72Å; V103-I107 HydrophobicContact CG1-CG2 4.48Å; C104-I107 PolarHBondContact O-N 2.82Å; P105-I107 PolarHBondContact O-N 2.84Å; P105-I107 VanDerWaalsContact O-N 3.15Å; I107-G109 PolarHBondContact O-N 2.73Å; I107-L110 HydrophobicContact CB-CD1 4.48Å; I107-L110 HydrophobicContact CG2-CD1 4.21Å; I107-L110 WeakPolarHBondContact O-CB 3.09Å; I107-L110 WeakPolarHBondContact O-CG 3.21Å; I107-L110 PolarHBondContact O-N 3.2Å; I107-L113 HydrophobicContact CG2-CD2 4.45Å; I107-L116 HydrophobicContact CG2-CD2 3.86Å; I107-L130 HydrophobicContact CG2-CD1 3.82Å
108G90.8Very high95.6Very high25 Ų2544.9 Ų44.926%0.25823%0.229SC..G310 helixtrans-63.2-20.7172.100000113.9P105 E106 L110P105-G108 PolarHBondContact O-N 3.07Å; E106-G108 PolarHBondContact O-N 2.96Å; G108-L110 VanDerWaalsContact C-N 3.32Å
109G90.8Very high95.6Very high35 Ų3544.8 Ų44.836%0.36123%0.23SC..G310 helixtrans-77.5-10.8175.600000114.7E106 I107 R111E106-G109 WeakPolarHBondContact O-CA 3.18Å; E106-G109 PolarHBondContact O-N 3.2Å; I107-G109 PolarHBondContact O-N 2.73Å; G109-R111 VanDerWaalsContact C-N 3.34Å; G109-R111 WeakPolarHBondContact O-CG 3.05Å; G109-R111 PolarHBondContact O-N 2.74Å
110L94.9Very high95.6Very high2 Ų246.7 Ų46.71%0.0124%0.238CC..  trans-72.683.3179.1-64.6172.2000111.4I84 L87 L90 L93 I107 G108 A112 L113I84-L110 WeakPolarHBondContact O-CD2 3.37Å; L87-L110 HydrophobicContact CB-CD2 3.99Å; L87-L110 WeakPolarHBondContact O-CD2 3.1Å; L90-L110 HydrophobicContact CB-CD2 4.27Å; L90-L110 HydrophobicContact CD2-CD1 4.19Å; L90-L110 HydrophobicContact CD2-CD2 4.36Å; L93-L110 HydrophobicContact CD2-CD1 4.41Å; I107-L110 HydrophobicContact CB-CD1 4.48Å; I107-L110 HydrophobicContact CG2-CD1 4.21Å; I107-L110 WeakPolarHBondContact O-CB 3.09Å; I107-L110 WeakPolarHBondContact O-CG 3.21Å; I107-L110 PolarHBondContact O-N 3.2Å; G108-L110 VanDerWaalsContact C-N 3.32Å; L110-A112 VanDerWaalsContact C-N 3.28Å; L110-A112 PolarHBondContact O-N 3.39Å; L110-L113 HydrophobicContact CB-CB 3.75Å; L110-L113 HydrophobicContact CB-CD2 4.21Å; L110-L113 HydrophobicContact CB-CG 4.48Å; L110-L113 HydrophobicContact CD1-CD1 4.33Å; L110-L113 HydrophobicContact CD1-CD2 3.86Å; L110-L113 WeakPolarHBondContact O-CB 3.15Å; L110-L113 PolarHBondContact O-N 3.07Å; L110-L113 VanDerWaalsContact O-N 3.1Å
111R91.5Very high95.6Very high197 Ų19747.1 Ų47.174%0.74324%0.24SC*.THydrogen-bonded Turntrans-62.1-30.8-170.9-61.6-173.2-178.2-173.2-0.8114.3G109 S133 E135G109-R111 VanDerWaalsContact C-N 3.34Å; G109-R111 WeakPolarHBondContact O-CG 3.05Å; G109-R111 PolarHBondContact O-N 2.74Å; R111-S133 PolarHBondContact O-OG 3.43Å; R111-E135 WeakPolarHBondContact O-CB 3.26Å; R111-E135 WeakPolarHBondContact O-CG 3.11Å
112A96.7Very high95.7Very high23 Ų2346 Ų4619%0.1924%0.235CC..THydrogen-bonded Turntrans-92.1-1.1179.600000113.9V88 L90 Q91 L110 R114V88-A112 VanDerWaalsContact O-CB 3.24Å; V88-A112 WeakPolarHBondContact O-CB 3.42Å; L90-A112 CarbonylContact O-C 3.54Å; Q91-A112 WeakPolarHBondContact CA-O 3.38Å; Q91-A112 HydrophobicContact CG-CB 4.33Å; L110-A112 VanDerWaalsContact C-N 3.28Å; L110-A112 PolarHBondContact O-N 3.39Å; A112-R114 PolarHBondContact O-N 3.1Å
113L97.7Very high95.8Very high3 Ų340.6 Ų40.62%0.01621%0.207CC..  trans-67.5126.9-173.2-166.269.7000110.6L90 L93 I107 L110 L116 E135 L136L90-L113 HydrophobicContact CD2-CD1 4.47Å; L90-L113 HydrophobicContact CG-CD1 4.44Å; L90-L113 WeakPolarHBondContact O-CA 3.09Å; L90-L113 PolarHBondContact O-N 3.21Å; L90-L113 VanDerWaalsContact O-N 3.08Å; L93-L113 HydrophobicContact CB-CD1 4Å; I107-L113 HydrophobicContact CG2-CD2 4.45Å; L110-L113 HydrophobicContact CB-CB 3.75Å; L110-L113 HydrophobicContact CB-CD2 4.21Å; L110-L113 HydrophobicContact CB-CG 4.48Å; L110-L113 HydrophobicContact CD1-CD1 4.33Å; L110-L113 HydrophobicContact CD1-CD2 3.86Å; L110-L113 WeakPolarHBondContact O-CB 3.15Å; L110-L113 PolarHBondContact O-N 3.07Å; L110-L113 VanDerWaalsContact O-N 3.1Å; L113-L116 HydrophobicContact CD2-CB 3.97Å; L113-L116 HydrophobicContact CD2-CD1 4.4Å; L113-L116 HydrophobicContact CD2-CD2 4.37Å; L113-L116 HydrophobicContact CD2-CG 4.48Å; L113-E135 CarbonylContact O-C 3.4Å; L113-E135 VanDerWaalsContact O-C 3.22Å; L113-L136 HydrophobicContact CB-CD1 4.27Å; L113-L136 HydrophobicContact CD2-CD1 3.94Å; L113-L136 HydrophobicContact CG-CD1 3.9Å; L113-L136 WeakPolarHBondContact O-CA 3.49Å; L113-L136 PolarHBondContact O-N 3.19Å; L113-L136 VanDerWaalsContact O-N 3.09Å
114R97.6Very high95.9Very high92 Ų9242.9 Ų42.935%0.34722%0.217SC..  trans-110.8-38.9179.1-63.6179.3176.1168.7-2.4112Q91 A112 E135 Q137 Y138Q91-R114 PolarHBondContact O-N 3Å; A112-R114 PolarHBondContact O-N 3.1Å; R114-E135 WeakPolarHBondContact CA-O 3.24Å; R114-E135 IonicContact NE-OE2 3.84Å; R114-E135 IonicContact NH2-OE2 3.85Å; R114-Q137 PolarHBondContact O-N 2.97Å; R114-Y138 PolarHBondContact O-N 3.5Å
115H98.1Very high95.9Very high56 Ų5647.5 Ų47.526%0.25924%0.235SC..EExtended strand (participates in β ladder)trans-125.8120-178.3-53.7-80.3000110.1Q91 C92 L93 Y138Q91-H115 PolarHBondContact O-N 3.42Å; C92-H115 WeakPolarHBondContact CA-O 3.14Å; L93-H115 PolarHBondContact N-O 3.13Å; H115-Y138 AromaticContact CE1-CD2 3.34Å; H115-Y138 WeakPolarHBondContact CE1-CD2 3.17Å; H115-Y138 AromaticContact CE1-CE2 3.82Å; H115-Y138 AromaticContact ND1-CD2 3.35Å; H115-Y138 VanDerWaalsContact ND1-CD2 3.35Å; H115-Y138 WeakPolarHBondContact ND1-CD2 3.4Å
116L97.9Very high95.8Very high0 Ų044.8 Ų44.80%022%0.217CC..EExtended strand (participates in β ladder)trans-118.9119.2170.7179.757.7000108.9L93 I107 L113 L118 L130 L136 Y138 V139 Y140L93-L116 HydrophobicContact CB-CD1 4.05Å; L93-L116 HydrophobicContact CD2-CD1 3.97Å; L93-L116 HydrophobicContact CG-CD1 4.06Å; I107-L116 HydrophobicContact CG2-CD2 3.86Å; L113-L116 HydrophobicContact CD2-CB 3.97Å; L113-L116 HydrophobicContact CD2-CD1 4.4Å; L113-L116 HydrophobicContact CD2-CD2 4.37Å; L113-L116 HydrophobicContact CD2-CG 4.48Å; L116-L118 HydrophobicContact CD1-CD1 4.35Å; L116-L118 HydrophobicContact CD1-CD2 4.4Å; L116-L118 HydrophobicContact CD1-CG 4.12Å; L116-L118 HydrophobicContact CD2-CD1 3.78Å; L116-L118 HydrophobicContact CD2-CG 4.39Å; L116-L118 HydrophobicContact CG-CD1 3.9Å; L116-L118 HydrophobicContact CG-CG 3.98Å; L116-L130 HydrophobicContact CD2-CD1 3.65Å; L116-L130 HydrophobicContact CD2-CD2 4.08Å; L116-L130 HydrophobicContact CD2-CG 4.48Å; L116-L136 HydrophobicContact CB-CD1 4.29Å; L116-Y138 PolarHBondContact N-O 3.5Å; L116-V139 CarbonylContact O-C 3.48Å; L116-V139 VanDerWaalsContact O-CA 3.32Å; L116-V139 WeakPolarHBondContact O-CA 3.35Å; L116-Y140 PolarHBondContact O-N 2.93Å
117R98.6Very high95.6Very high84 Ų8442 Ų4232%0.31720%0.204SC..EExtended strand (participates in β ladder)trans-112.3118.4178-55.8172.1173-85.5-4.1109.6L93 D94 L95 S96 Y140L93-R117 PolarHBondContact O-N 2.97Å; D94-R117 HydrophobicContact CB-CB 4.28Å; D94-R117 VanDerWaalsContact CG-CD 3.48Å; D94-R117 WeakPolarHBondContact OD1-CB 3.11Å; D94-R117 WeakPolarHBondContact OD2-CD 3.35Å; L95-R117 CarbonylContact C-O 3.6Å; L95-R117 WeakPolarHBondContact CA-O 3.44Å; L95-R117 PolarHBondContact N-O 2.89Å; S96-R117 PolarHBondContact N-O 3.25Å; S96-R117 VanDerWaalsContact OG-CB 3.25Å; S96-R117 WeakPolarHBondContact OG-CB 3.29Å; R117-Y140 HydrophobicContact CB-CD2 4.39Å; R117-Y140 HydrophobicContact CG-CD2 3.59Å; R117-Y140 HydrophobicContact CG-CE2 4.14Å; R117-Y140 HydrophobicContact CG-CG 4.32Å
118L97.8Very high95.2Very high0 Ų045.8 Ų45.80%023%0.229CC..  trans-13013.3-177.7-68.3168.6000111.3L95 L100 V103 L116 N121 L123 L126 Y140 V141 N144L95-L118 HydrophobicContact CB-CD2 3.98Å; L95-L118 HydrophobicContact CD1-CD2 4.1Å; L100-L118 HydrophobicContact CD1-CD2 3.93Å; V103-L118 HydrophobicContact CG2-CD1 4.19Å; V103-L118 HydrophobicContact CG2-CD2 3.88Å; L116-L118 HydrophobicContact CD1-CD1 4.35Å; L116-L118 HydrophobicContact CD1-CD2 4.4Å; L116-L118 HydrophobicContact CD1-CG 4.12Å; L116-L118 HydrophobicContact CD2-CD1 3.78Å; L116-L118 HydrophobicContact CD2-CG 4.39Å; L116-L118 HydrophobicContact CG-CD1 3.9Å; L116-L118 HydrophobicContact CG-CG 3.98Å; L118-N121 PolarHBondContact O-ND2 3.37Å; L118-L123 HydrophobicContact CB-CD1 3.89Å; L118-L123 HydrophobicContact CD1-CD1 4.01Å; L118-L123 HydrophobicContact CD2-CD1 4.42Å; L118-L123 HydrophobicContact CG-CD1 4.34Å; L118-L126 HydrophobicContact CD1-CD2 4.14Å; L118-Y140 CarbonylContact C-O 3.57Å; L118-Y140 WeakPolarHBondContact CA-O 3.32Å; L118-Y140 WeakPolarHBondContact CB-O 3.22Å; L118-Y140 PolarHBondContact N-O 3Å; L118-V141 HydrophobicContact CB-CG1 4.2Å; L118-V141 HydrophobicContact CD1-CG1 4.47Å; L118-N144 PolarHBondContact O-ND2 3.12Å
119A98.1Very high95Very high13 Ų1347.8 Ų47.811%0.10723%0.234CC..  trans-60.4152.6-178.900000111.5S96 D97 N121 Y140 D142S96-A119 CarbonylContact C-O 3.58Å; S96-A119 WeakPolarHBondContact CA-O 3.31Å; S96-A119 WeakPolarHBondContact CB-O 3.4Å; D97-A119 PolarHBondContact N-O 2.94Å; A119-N121 PolarHBondContact O-ND2 3.02Å; A119-Y140 PolarHBondContact N-O 3.12Å; A119-D142 CarbonylContact C-O 3.51Å; A119-D142 WeakPolarHBondContact CA-O 3.36Å; A119-D142 HydrophobicContact CB-CB 4.11Å
120N98.2Very high94.9Very high61 Ų6146.2 Ų46.233%0.32622%0.217SC..SBendtrans54.356-179.1-51.6-50.9000112.5D97 N98 D142 N143D97-N120 WeakPolarHBondContact CA-O 3.22Å; D97-N120 PolarHBondContact N-O 3.47Å; D97-N120 VanDerWaalsContact OD1-CB 3.22Å; D97-N120 WeakPolarHBondContact OD1-CB 3.04Å; D97-N120 VanDerWaalsContact OD1-CG 3.31Å; D97-N120 PolarHBondContact OD1-ND2 3.08Å; N98-N120 PolarHBondContact N-O 3.24Å; N120-D142 PolarHBondContact N-O 3.48Å; N120-N143 WeakPolarHBondContact OD1-CB 3.4Å; N120-N143 PolarHBondContact OD1-ND2 3.47Å
121N98.6Very high94.2Very high9 Ų946.5 Ų46.55%0.04822%0.22CC..SBendtrans-126.4-170.1170.4-82.4-79.9000109.3L95 N98 A99 L100 L118 A119 L123 N144L95-N121 PolarHBondContact O-ND2 2.87Å; N98-N121 WeakPolarHBondContact CA-OD1 3.32Å; N98-N121 WeakPolarHBondContact CB-OD1 3.21Å; N98-N121 PolarHBondContact N-OD1 3.38Å; N98-N121 PolarHBondContact O-OD1 3.32Å; A99-N121 PolarHBondContact N-OD1 3.29Å; L100-N121 HydrophobicContact CB-CB 4.17Å; L100-N121 VanDerWaalsContact CB-OD1 3.29Å; L100-N121 WeakPolarHBondContact CB-OD1 3.49Å; L100-N121 WeakPolarHBondContact CG-OD1 3.47Å; L100-N121 PolarHBondContact N-OD1 3.08Å; L118-N121 PolarHBondContact O-ND2 3.37Å; A119-N121 PolarHBondContact O-ND2 3.02Å; N121-L123 HydrophobicContact CB-CG 4.09Å; N121-N144 WeakPolarHBondContact CA-OD1 3.33Å; N121-N144 WeakPolarHBondContact CB-OD1 3.26Å; N121-N144 PolarHBondContact N-OD1 3.09Å; N121-N144 PolarHBondContact O-OD1 2.96Å
122Q97.5Very high93.8Very high82 Ų8244.7 Ų44.738%0.38321%0.214SC..  trans-114.229.8-179.3-62.6176.770.100111.4L100 E101 Q124 N144L100-Q122 CarbonylContact O-C 3.18Å; L100-Q122 WeakPolarHBondContact O-CA 2.91Å; L100-Q122 PolarHBondContact O-N 2.97Å; E101-Q122 HydrophobicContact CG-CB 4.16Å; Q122-Q124 PolarHBondContact O-N 3.27Å; Q122-N144 PolarHBondContact N-OD1 2.78Å
123L96.7Very high93.3Very high0 Ų045 Ų450%021%0.214CC..  trans-65.3130.2-172.5-61.3173.6000111.3L100 E101 V103 L118 N121 L126 N144 Q146 L147L100-L123 HydrophobicContact CB-CD2 3.86Å; L100-L123 WeakPolarHBondContact O-CD2 3.17Å; L100-L123 PolarHBondContact O-N 3.23Å; E101-L123 WeakPolarHBondContact O-CA 3.36Å; V103-L123 HydrophobicContact CG2-CD1 4.34Å; V103-L123 HydrophobicContact CG2-CD2 3.76Å; L118-L123 HydrophobicContact CB-CD1 3.89Å; L118-L123 HydrophobicContact CD1-CD1 4.01Å; L118-L123 HydrophobicContact CD2-CD1 4.42Å; L118-L123 HydrophobicContact CG-CD1 4.34Å; N121-L123 HydrophobicContact CB-CG 4.09Å; L123-L126 HydrophobicContact CD1-CD2 4.06Å; L123-N144 HydrophobicContact CB-CB 4.22Å; L123-N144 VanDerWaalsContact CB-OD1 3.24Å; L123-N144 WeakPolarHBondContact CB-OD1 3.48Å; L123-N144 WeakPolarHBondContact CG-OD1 3.38Å; L123-N144 PolarHBondContact N-OD1 3.09Å; L123-Q146 CarbonylContact O-C 3.36Å; L123-L147 HydrophobicContact CB-CD1 4.26Å; L123-L147 WeakPolarHBondContact O-CA 3.3Å; L123-L147 PolarHBondContact O-N 3.02Å
124Q95.3Very high92.8Very high60 Ų6056.2 Ų56.228%0.2826%0.256SS..SBendtrans-91.8-30.3172-66.1-17548.600112.6E101 Q122 Q146 K148E101-Q124 PolarHBondContact O-N 2.95Å; Q122-Q124 PolarHBondContact O-N 3.27Å; Q124-Q146 HydrophobicContact CG-CB 3.99Å; Q124-K148 PolarHBondContact O-N 3.34Å
125F93.1Very high92.6Very high114 Ų11455.8 Ų55.850%0.526%0.258SS..  trans-147.5156.6-178.7-55.2-82.6000110.4K148F125-K148 HydrophobicContact CD1-CB 4.1Å; F125-K148 HydrophobicContact CE1-CB 3.71Å; F125-K148 HydrophobicContact CE1-CD 3.76Å; F125-K148 HydrophobicContact CE1-CG 4.3Å; F125-K148 HydrophobicContact CE2-CD 4.46Å; F125-K148 HydrophobicContact CZ-CB 4.39Å; F125-K148 HydrophobicContact CZ-CD 3.6Å
126L93.2Very high92.5Very high16 Ų1653.3 Ų53.38%0.08425%0.247CC..  trans-101.6151.1165.3-61175.2000109.8L118 L123 L130 V141 L147 L150 L154L118-L126 HydrophobicContact CD1-CD2 4.14Å; L123-L126 HydrophobicContact CD1-CD2 4.06Å; L126-L130 HydrophobicContact CB-CD2 4Å; L126-L130 HydrophobicContact CD1-CD2 4.12Å; L126-L130 HydrophobicContact CD2-CD2 4.14Å; L126-L130 HydrophobicContact CG-CD2 4.3Å; L126-V141 HydrophobicContact CD1-CG1 4.06Å; L126-V141 HydrophobicContact CD2-CG1 3.96Å; L126-L147 HydrophobicContact CD2-CD1 4.49Å; L126-L147 HydrophobicContact CG-CD1 4.11Å; L126-L150 HydrophobicContact CD1-CD2 3.52Å; L126-L154 HydrophobicContact CD1-CD1 3.91Å
127P91.1Very high92.3Very high8 Ų857.4 Ų57.45%0.05227%0.266CS..  trans-56.8143.5177-25.833.3000113.7V103 D129 L130V103-P127 HydrophobicContact CB-CG 4.31Å; V103-P127 HydrophobicContact CG1-CG 4.04Å; P127-D129 PolarHBondContact O-N 2.67Å; P127-D129 VanDerWaalsContact O-N 3.11Å; P127-L130 HydrophobicContact CB-CB 4.26Å; P127-L130 VanDerWaalsContact O-CB 3.28Å; P127-L130 WeakPolarHBondContact O-CB 3.26Å; P127-L130 PolarHBondContact O-N 3.15Å; P127-L130 VanDerWaalsContact O-N 3.08Å
128P85.8Confident92.2Very high81 Ų8157.9 Ų57.953%0.52627%0.268SS..THydrogen-bonded Turntrans-67.5-12-177.327.7-35.9000114.4R132 Y153P128-R132 PolarHBondContact O-NH2 3.15Å; P128-Y153 WeakPolarHBondContact CA-OH 3.19Å; P128-Y153 VanDerWaalsContact O-CZ 3.31Å; P128-Y153 PolarHBondContact O-OH 3.22Å
129D85.9Confident92.1Very high68 Ų6857.9 Ų57.936%0.36427%0.268SS..THydrogen-bonded Turntrans-106.9-2.9178.2-65.7-9.4000112.2P127 G131 R132P127-D129 PolarHBondContact O-N 2.67Å; P127-D129 VanDerWaalsContact O-N 3.11Å; D129-G131 PolarHBondContact O-N 3.11Å; D129-R132 WeakPolarHBondContact O-CB 3.21Å; D129-R132 PolarHBondContact O-N 3.3Å; D129-R132 IonicContact OD1-CZ 3.82Å; D129-R132 IonicContact OD1-NE 3.47Å; D129-R132 IonicContact OD1-NH1 2.74Å; D129-R132 PolarHBondContact OD1-NH1 3.16Å; D129-R132 IonicContact OD1-NH2 3.88Å; D129-R132 PolarHBondContact OD1-NH2 2.95Å; D129-R132 IonicContact OD2-NH1 3.48Å
130L88.8Confident92Very high2 Ų259.2 Ų59.21%0.0127%0.271CS..THydrogen-bonded Turntrans-62.6124.6179.9-175.663000110.5I107 L116 L126 P127 L136 V139 Y153 L154I107-L130 HydrophobicContact CG2-CD1 3.82Å; L116-L130 HydrophobicContact CD2-CD1 3.65Å; L116-L130 HydrophobicContact CD2-CD2 4.08Å; L116-L130 HydrophobicContact CD2-CG 4.48Å; L126-L130 HydrophobicContact CB-CD2 4Å; L126-L130 HydrophobicContact CD1-CD2 4.12Å; L126-L130 HydrophobicContact CD2-CD2 4.14Å; L126-L130 HydrophobicContact CG-CD2 4.3Å; P127-L130 HydrophobicContact CB-CB 4.26Å; P127-L130 VanDerWaalsContact O-CB 3.28Å; P127-L130 WeakPolarHBondContact O-CB 3.26Å; P127-L130 PolarHBondContact O-N 3.15Å; P127-L130 VanDerWaalsContact O-N 3.08Å; L130-L136 HydrophobicContact CD1-CD2 4.11Å; L130-L136 HydrophobicContact CG-CD2 4.45Å; L130-V139 HydrophobicContact CD2-CG1 4.32Å; L130-Y153 WeakPolarHBondContact O-CE2 3.28Å; L130-L154 HydrophobicContact CB-CD1 4.19Å; L130-L154 HydrophobicContact CD2-CD1 4.15Å; L130-L154 HydrophobicContact CG-CD1 4.16Å; L130-L154 HydrophobicContact CG-CD2 4.46Å; L130-L154 WeakPolarHBondContact O-CD2 3.33Å; L130-L154 WeakPolarHBondContact O-CG 3.32Å
131G80.2Confident91.9Very high7 Ų756.9 Ų56.97%0.07226%0.259CS..THydrogen-bonded Turntrans85.81.4178.700000116.2D129 S133 L136 K157D129-G131 PolarHBondContact O-N 3.11Å; G131-S133 PolarHBondContact O-N 3.12Å; G131-L136 VanDerWaalsContact CA-CD2 3.46Å; G131-K157 PolarHBondContact O-NZ 3.27Å
132R82.8Confident91.7Very high160 Ų16060 Ų6060%0.60428%0.275SS*.  trans-64.9-25.3164.6-69.6-170.3179.4158.214.6112.9P128 D129 R134P128-R132 PolarHBondContact O-NH2 3.15Å; D129-R132 WeakPolarHBondContact O-CB 3.21Å; D129-R132 PolarHBondContact O-N 3.3Å; D129-R132 IonicContact OD1-CZ 3.82Å; D129-R132 IonicContact OD1-NE 3.47Å; D129-R132 IonicContact OD1-NH1 2.74Å; D129-R132 PolarHBondContact OD1-NH1 3.16Å; D129-R132 IonicContact OD1-NH2 3.88Å; D129-R132 PolarHBondContact OD1-NH2 2.95Å; D129-R132 IonicContact OD2-NH1 3.48Å; R132-R134 PolarHBondContact O-N 3.07Å
133S86.3Confident91.7Very high28 Ų2861.2 Ų61.220%0.19629%0.285CS..SBendtrans-62.6133.4171.2178.90000110.6R111 G131 E135 L136 K157R111-S133 PolarHBondContact O-OG 3.43Å; G131-S133 PolarHBondContact O-N 3.12Å; S133-E135 PolarHBondContact O-N 3.19Å; S133-E135 PolarHBondContact OG-N 3.4Å; S133-L136 PolarHBondContact O-N 3Å; S133-K157 PolarHBondContact O-NZ 2.99Å
134R87.4Confident91.6Very high240 Ų24061.8 Ų61.891%0.90629%0.288SS*.SBendtrans-68.5-25.4174.7-66.3-177.6-179.1172.90112.5R132R132-R134 PolarHBondContact O-N 3.07Å
135E94.1Very high91.6Very high82 Ų8266.5 Ų66.538%0.38331%0.313SS..SBendtrans-75.4-25.4-179.7-64.3-61.2134.200112.7R111 L113 R114 S133 Q137R111-E135 WeakPolarHBondContact O-CB 3.26Å; R111-E135 WeakPolarHBondContact O-CG 3.11Å; L113-E135 CarbonylContact O-C 3.4Å; L113-E135 VanDerWaalsContact O-C 3.22Å; R114-E135 WeakPolarHBondContact CA-O 3.24Å; R114-E135 IonicContact NE-OE2 3.84Å; R114-E135 IonicContact NH2-OE2 3.85Å; S133-E135 PolarHBondContact O-N 3.19Å; S133-E135 PolarHBondContact OG-N 3.4Å; E135-Q137 WeakPolarHBondContact O-CG 3.21Å; E135-Q137 PolarHBondContact O-N 3.44Å; E135-Q137 VanDerWaalsContact O-N 3.15Å
136L94.9Very high91.7Very high5 Ų565.2 Ų65.23%0.02631%0.309CS..  trans-69115.6-178.3-168.267.1000109.4L113 L116 L130 G131 S133 V139 K157L113-L136 HydrophobicContact CB-CD1 4.27Å; L113-L136 HydrophobicContact CD2-CD1 3.94Å; L113-L136 HydrophobicContact CG-CD1 3.9Å; L113-L136 WeakPolarHBondContact O-CA 3.49Å; L113-L136 PolarHBondContact O-N 3.19Å; L113-L136 VanDerWaalsContact O-N 3.09Å; L116-L136 HydrophobicContact CB-CD1 4.29Å; L130-L136 HydrophobicContact CD1-CD2 4.11Å; L130-L136 HydrophobicContact CG-CD2 4.45Å; G131-L136 VanDerWaalsContact CA-CD2 3.46Å; S133-L136 PolarHBondContact O-N 3Å; L136-V139 HydrophobicContact CD1-CG2 4.24Å; L136-V139 HydrophobicContact CD2-CG2 3.43Å; L136-V139 VanDerWaalsContact CD2-CG2 3.43Å; L136-V139 HydrophobicContact CG-CG2 3.86Å; L136-K157 WeakPolarHBondContact O-CD 3.4Å; L136-K157 WeakPolarHBondContact O-CE 3.29Å; L136-K157 PolarHBondContact O-NZ 3.27Å
137Q94.7Very high91.7Very high86 Ų8666.1 Ų66.140%0.40231%0.314SS..  trans-103.2-44.7-176.3-69.7167.53000110.9R114 E135 K157R114-Q137 PolarHBondContact O-N 2.97Å; E135-Q137 WeakPolarHBondContact O-CG 3.21Å; E135-Q137 PolarHBondContact O-N 3.44Å; E135-Q137 VanDerWaalsContact O-N 3.15Å; Q137-K157 WeakPolarHBondContact O-CA 3.37Å
138Y95.8Very high91.6Very high93 Ų9372 Ų7237%0.36534%0.338SS..EExtended strand (participates in β ladder)trans-134129.9-170.9-55.6-72.2000112.1R114 H115 L116 K157 I159R114-Y138 PolarHBondContact O-N 3.5Å; H115-Y138 AromaticContact CE1-CD2 3.34Å; H115-Y138 WeakPolarHBondContact CE1-CD2 3.17Å; H115-Y138 AromaticContact CE1-CE2 3.82Å; H115-Y138 AromaticContact ND1-CD2 3.35Å; H115-Y138 VanDerWaalsContact ND1-CD2 3.35Å; H115-Y138 WeakPolarHBondContact ND1-CD2 3.4Å; L116-Y138 PolarHBondContact N-O 3.5Å; Y138-K157 CarbonylContact C-O 3.16Å; Y138-K157 VanDerWaalsContact CA-O 3.29Å; Y138-K157 WeakPolarHBondContact CA-O 3.37Å; Y138-I159 HydrophobicContact CD1-CD1 3.21Å; Y138-I159 HydrophobicContact CD1-CG1 3.83Å; Y138-I159 HydrophobicContact CE1-CD1 3.68Å; Y138-I159 HydrophobicContact CE1-CG1 4.47Å; Y138-I159 HydrophobicContact CG-CD1 4.05Å
139V96.1Very high91.6Very high0 Ų070.5 Ų70.50%034%0.337CS..EExtended strand (participates in β ladder)trans-127.5110.3176.2-175.30000108.4L116 L130 L136 V141 L154 K157 V158 I159L116-V139 CarbonylContact O-C 3.48Å; L116-V139 VanDerWaalsContact O-CA 3.32Å; L116-V139 WeakPolarHBondContact O-CA 3.35Å; L130-V139 HydrophobicContact CD2-CG1 4.32Å; L136-V139 HydrophobicContact CD1-CG2 4.24Å; L136-V139 HydrophobicContact CD2-CG2 3.43Å; L136-V139 VanDerWaalsContact CD2-CG2 3.43Å; L136-V139 HydrophobicContact CG-CG2 3.86Å; V139-V141 HydrophobicContact CG1-CG1 3.98Å; V139-L154 HydrophobicContact CG2-CD2 4.12Å; V139-K157 HydrophobicContact CG2-CB 4.48Å; V139-K157 PolarHBondContact N-O 2.86Å; V139-V158 HydrophobicContact CB-CG2 4.09Å; V139-V158 HydrophobicContact CG1-CG2 4.41Å; V139-V158 VanDerWaalsContact O-CA 3.26Å; V139-V158 WeakPolarHBondContact O-CA 3.45Å; V139-I159 PolarHBondContact O-N 3.08Å
140Y96.4Very high91.5Very high42 Ų4269.2 Ų69.217%0.16533%0.33CS..EExtended strand (participates in β ladder)trans-97119.4179.8-57.6-94.6000109L116 R117 L118 A119 I159L116-Y140 PolarHBondContact O-N 2.93Å; R117-Y140 HydrophobicContact CB-CD2 4.39Å; R117-Y140 HydrophobicContact CG-CD2 3.59Å; R117-Y140 HydrophobicContact CG-CE2 4.14Å; R117-Y140 HydrophobicContact CG-CG 4.32Å; L118-Y140 CarbonylContact C-O 3.57Å; L118-Y140 WeakPolarHBondContact CA-O 3.32Å; L118-Y140 WeakPolarHBondContact CB-O 3.22Å; L118-Y140 PolarHBondContact N-O 3Å; A119-Y140 PolarHBondContact N-O 3.12Å; Y140-I159 HydrophobicContact CD1-CB 3.88Å; Y140-I159 HydrophobicContact CD1-CG2 4.13Å; Y140-I159 HydrophobicContact CE1-CB 3.71Å; Y140-I159 HydrophobicContact CE1-CD1 3.76Å; Y140-I159 HydrophobicContact CE1-CG1 4.23Å; Y140-I159 HydrophobicContact CE1-CG2 3.82Å
141V95.6Very high91.1Very high12 Ų1270.8 Ų70.87%0.07334%0.341CS..  trans-130.816-178.2-690000112.4L118 L126 V139 N144 L147 L150 V158L118-V141 HydrophobicContact CB-CG1 4.2Å; L118-V141 HydrophobicContact CD1-CG1 4.47Å; L126-V141 HydrophobicContact CD1-CG1 4.06Å; L126-V141 HydrophobicContact CD2-CG1 3.96Å; V139-V141 HydrophobicContact CG1-CG1 3.98Å; V141-N144 WeakPolarHBondContact O-CB 3.09Å; V141-N144 PolarHBondContact O-N 3.2Å; V141-N144 PolarHBondContact O-ND2 2.98Å; V141-L147 HydrophobicContact CB-CD2 4.03Å; V141-L147 HydrophobicContact CG2-CD2 3.94Å; V141-L150 HydrophobicContact CG2-CD2 4.15Å; V141-V158 HydrophobicContact CG2-CG1 3.69Å
142D94.9Very high91.2Very high73 Ų7374.7 Ų74.739%0.3937%0.367SS..THydrogen-bonded Turntrans-48.5145.9176.2-53.3-92.2000111.6A119 N120 N144A119-D142 CarbonylContact C-O 3.51Å; A119-D142 WeakPolarHBondContact CA-O 3.36Å; A119-D142 HydrophobicContact CB-CB 4.11Å; N120-D142 PolarHBondContact N-O 3.48Å; D142-N144 PolarHBondContact O-N 3.35Å; D142-N144 VanDerWaalsContact O-N 3.12Å; D142-N144 PolarHBondContact O-ND2 2.9Å
143N95.7Very high91.2Very high109 Ų10971.2 Ų71.258%0.58335%0.354SS*.THydrogen-bonded Turntrans57.825.7176-55.1-33.8000115N120 I145N120-N143 WeakPolarHBondContact OD1-CB 3.4Å; N120-N143 PolarHBondContact OD1-ND2 3.47Å; N143-I145 PolarHBondContact O-N 2.87Å
144N96.4Very high91.1Very high11 Ų1169.9 Ų69.96%0.05935%0.345CS..  trans-89.877.9158.8-73.8-85.8000109L118 N121 Q122 L123 V141 D142 Q146 L147L118-N144 PolarHBondContact O-ND2 3.12Å; N121-N144 WeakPolarHBondContact CA-OD1 3.33Å; N121-N144 WeakPolarHBondContact CB-OD1 3.26Å; N121-N144 PolarHBondContact N-OD1 3.09Å; N121-N144 PolarHBondContact O-OD1 2.96Å; Q122-N144 PolarHBondContact N-OD1 2.78Å; L123-N144 HydrophobicContact CB-CB 4.22Å; L123-N144 VanDerWaalsContact CB-OD1 3.24Å; L123-N144 WeakPolarHBondContact CB-OD1 3.48Å; L123-N144 WeakPolarHBondContact CG-OD1 3.38Å; L123-N144 PolarHBondContact N-OD1 3.09Å; V141-N144 WeakPolarHBondContact O-CB 3.09Å; V141-N144 PolarHBondContact O-N 3.2Å; V141-N144 PolarHBondContact O-ND2 2.98Å; D142-N144 PolarHBondContact O-N 3.35Å; D142-N144 VanDerWaalsContact O-N 3.12Å; D142-N144 PolarHBondContact O-ND2 2.9Å; N144-Q146 PolarHBondContact O-N 3.31Å; N144-L147 HydrophobicContact CB-CB 3.92Å; N144-L147 WeakPolarHBondContact O-CB 3.28Å; N144-L147 PolarHBondContact O-N 3.45Å
145I94.6Very high90.9Very high159 Ų15965.3 Ų65.382%0.81533%0.329SS*.THydrogen-bonded Turntrans-61.4-18.2-169.663.9171.1000114.4N143N143-I145 PolarHBondContact O-N 2.87Å
146Q94Very high90.4Very high87 Ų8768.8 Ų68.841%0.40735%0.35SS..THydrogen-bonded Turntrans-93.6-1.6178.8-53.8-174.214.300112.9L123 Q124 N144 K148L123-Q146 CarbonylContact O-C 3.36Å; Q124-Q146 HydrophobicContact CG-CB 3.99Å; N144-Q146 PolarHBondContact O-N 3.31Å; Q146-K148 PolarHBondContact O-N 3.23Å
147L94.8Very high90Very high36 Ų3670.3 Ų70.319%0.18836%0.356CS..  trans-68.5116.2-171.8-173.366.7000111.2L123 L126 V141 N144 G149 L150L123-L147 HydrophobicContact CB-CD1 4.26Å; L123-L147 WeakPolarHBondContact O-CA 3.3Å; L123-L147 PolarHBondContact O-N 3.02Å; L126-L147 HydrophobicContact CD2-CD1 4.49Å; L126-L147 HydrophobicContact CG-CD1 4.11Å; V141-L147 HydrophobicContact CB-CD2 4.03Å; V141-L147 HydrophobicContact CG2-CD2 3.94Å; N144-L147 HydrophobicContact CB-CB 3.92Å; N144-L147 WeakPolarHBondContact O-CB 3.28Å; N144-L147 PolarHBondContact O-N 3.45Å; L147-G149 PolarHBondContact O-N 3.29Å; L147-G149 VanDerWaalsContact O-N 3.12Å; L147-L150 HydrophobicContact CD2-CD2 3.73Å
148K89Confident89.5Confident132 Ų13267.7 Ų67.757%0.57435%0.346SS*.  trans-88.282.9-178.1-67.9176-174.2166.80110.2Q124 F125 Q146Q124-K148 PolarHBondContact O-N 3.34Å; F125-K148 HydrophobicContact CD1-CB 4.1Å; F125-K148 HydrophobicContact CE1-CB 3.71Å; F125-K148 HydrophobicContact CE1-CD 3.76Å; F125-K148 HydrophobicContact CE1-CG 4.3Å; F125-K148 HydrophobicContact CE2-CD 4.46Å; F125-K148 HydrophobicContact CZ-CB 4.39Å; F125-K148 HydrophobicContact CZ-CD 3.6Å; Q146-K148 PolarHBondContact O-N 3.23Å
149G84.7Confident88.4Confident49 Ų4968.6 Ų68.651%0.50536%0.356SS..  trans65.5177.717500000113.7L147L147-G149 PolarHBondContact O-N 3.29Å; L147-G149 VanDerWaalsContact O-N 3.12Å
150L84.4Confident88Confident40 Ų4072.1 Ų72.121%0.20937%0.374CS..  trans-125.3137.6178.3-60.9166.8000108.1L126 V141 L147 Y155 V158L126-L150 HydrophobicContact CD1-CD2 3.52Å; V141-L150 HydrophobicContact CG2-CD2 4.15Å; L147-L150 HydrophobicContact CD2-CD2 3.73Å; L150-Y155 HydrophobicContact CB-CD1 4.15Å; L150-Y155 HydrophobicContact CB-CE1 3.8Å; L150-Y155 HydrophobicContact CD1-CD1 4.43Å; L150-Y155 PolarHBondContact O-OH 3.07Å; L150-V158 HydrophobicContact CD1-CB 4.03Å; L150-V158 HydrophobicContact CD1-CG1 3.76Å; L150-V158 HydrophobicContact CD1-CG2 4Å; L150-V158 HydrophobicContact CD2-CG2 4.28Å
151P79.7Confident87.6Confident36 Ų3673.6 Ų73.623%0.23439%0.385CS..  trans-56.7143.6168.9-2230.6000111.6Y153 L154P151-Y153 VanDerWaalsContact C-N 3.26Å; P151-Y153 HydrophobicContact CB-CD1 4.1Å; P151-Y153 HydrophobicContact CB-CD2 4.2Å; P151-Y153 HydrophobicContact CB-CE1 3.43Å; P151-Y153 VanDerWaalsContact CB-CE1 3.43Å; P151-Y153 HydrophobicContact CB-CE2 3.51Å; P151-Y153 HydrophobicContact CB-CG 4.44Å; P151-Y153 WeakPolarHBondContact CB-OH 3.46Å; P151-Y153 HydrophobicContact CG-CE1 4.49Å; P151-Y153 HydrophobicContact CG-CE2 4.12Å; P151-Y153 WeakPolarHBondContact CG-OH 3.32Å; P151-Y153 PolarHBondContact O-N 3.37Å; P151-Y153 VanDerWaalsContact O-N 3.15Å; P151-L154 HydrophobicContact CG-CD1 4.29Å; P151-L154 WeakPolarHBondContact O-CB 3.27Å; P151-L154 PolarHBondContact O-N 2.84Å
152S82.8Confident87.1Confident88 Ų8877.1 Ų77.162%0.61540%0.402SS*.G310 helixtrans-61.8-31.5-169.757.40000114.9L154 Y155S152-L154 PolarHBondContact O-N 2.78Å; S152-Y155 VanDerWaalsContact CA-CD2 3.44Å; S152-Y155 VanDerWaalsContact CA-CE2 3.42Å; S152-Y155 VanDerWaalsContact O-CD2 3.27Å; S152-Y155 WeakPolarHBondContact O-CD2 3.31Å; S152-Y155 PolarHBondContact O-N 3.41Å
153Y82.1Confident86.7Confident87 Ų8777.3 Ų77.334%0.34140%0.403SS..G310 helixtrans-69.8-11.617650.8-100.2000113.8P128 L130 P151P128-Y153 WeakPolarHBondContact CA-OH 3.19Å; P128-Y153 VanDerWaalsContact O-CZ 3.31Å; P128-Y153 PolarHBondContact O-OH 3.22Å; L130-Y153 WeakPolarHBondContact O-CE2 3.28Å; P151-Y153 VanDerWaalsContact C-N 3.26Å; P151-Y153 HydrophobicContact CB-CD1 4.1Å; P151-Y153 HydrophobicContact CB-CD2 4.2Å; P151-Y153 HydrophobicContact CB-CE1 3.43Å; P151-Y153 VanDerWaalsContact CB-CE1 3.43Å; P151-Y153 HydrophobicContact CB-CE2 3.51Å; P151-Y153 HydrophobicContact CB-CG 4.44Å; P151-Y153 WeakPolarHBondContact CB-OH 3.46Å; P151-Y153 HydrophobicContact CG-CE1 4.49Å; P151-Y153 HydrophobicContact CG-CE2 4.12Å; P151-Y153 WeakPolarHBondContact CG-OH 3.32Å; P151-Y153 PolarHBondContact O-N 3.37Å; P151-Y153 VanDerWaalsContact O-N 3.15Å
154L85.1Confident86.1Confident0 Ų075.3 Ų75.30%039%0.392CS..G310 helixtrans-94.4-14.2176-81.7175.3000113.8L126 L130 V139 P151 S152 N156 K157 V158L126-L154 HydrophobicContact CD1-CD1 3.91Å; L130-L154 HydrophobicContact CB-CD1 4.19Å; L130-L154 HydrophobicContact CD2-CD1 4.15Å; L130-L154 HydrophobicContact CG-CD1 4.16Å; L130-L154 HydrophobicContact CG-CD2 4.46Å; L130-L154 WeakPolarHBondContact O-CD2 3.33Å; L130-L154 WeakPolarHBondContact O-CG 3.32Å; V139-L154 HydrophobicContact CG2-CD2 4.12Å; P151-L154 HydrophobicContact CG-CD1 4.29Å; P151-L154 WeakPolarHBondContact O-CB 3.27Å; P151-L154 PolarHBondContact O-N 2.84Å; S152-L154 PolarHBondContact O-N 2.78Å; L154-N156 PolarHBondContact O-N 3.22Å; L154-N156 VanDerWaalsContact O-N 3.09Å; L154-K157 HydrophobicContact CD2-CB 4.37Å; L154-K157 HydrophobicContact CD2-CD 4.35Å; L154-K157 PolarHBondContact O-N 3.31Å; L154-V158 HydrophobicContact CB-CG2 4.11Å; L154-V158 WeakPolarHBondContact O-CG2 3.46Å; L154-V158 PolarHBondContact O-N 3.38Å
155Y82.9Confident85.4Confident144 Ų14479.6 Ų79.657%0.56541%0.414SS*.THydrogen-bonded Turntrans-56.4-32.5-177.5-68.7-46.3000113.6L150 S152 K157L150-Y155 HydrophobicContact CB-CD1 4.15Å; L150-Y155 HydrophobicContact CB-CE1 3.8Å; L150-Y155 HydrophobicContact CD1-CD1 4.43Å; L150-Y155 PolarHBondContact O-OH 3.07Å; S152-Y155 VanDerWaalsContact CA-CD2 3.44Å; S152-Y155 VanDerWaalsContact CA-CE2 3.42Å; S152-Y155 VanDerWaalsContact O-CD2 3.27Å; S152-Y155 WeakPolarHBondContact O-CD2 3.31Å; S152-Y155 PolarHBondContact O-N 3.41Å; Y155-K157 VanDerWaalsContact C-N 3.26Å; Y155-K157 PolarHBondContact O-N 3.35Å
156N84.3Confident84.8Confident156 Ų15673.9 Ų73.983%0.83439%0.385SS*.THydrogen-bonded Turntrans-83.1-1.1179.6-62.6-17.4000113.9L154L154-N156 PolarHBondContact O-N 3.22Å; L154-N156 VanDerWaalsContact O-N 3.09Å
157K86.6Confident84.1Confident36 Ų3672.9 Ų72.916%0.15738%0.384CS..THydrogen-bonded Turntrans-122.8-20.9-174.8-60.2-177.7176.3-155.30112.4G131 S133 L136 Q137 Y138 V139 L154 Y155G131-K157 PolarHBondContact O-NZ 3.27Å; S133-K157 PolarHBondContact O-NZ 2.99Å; L136-K157 WeakPolarHBondContact O-CD 3.4Å; L136-K157 WeakPolarHBondContact O-CE 3.29Å; L136-K157 PolarHBondContact O-NZ 3.27Å; Q137-K157 WeakPolarHBondContact O-CA 3.37Å; Y138-K157 CarbonylContact C-O 3.16Å; Y138-K157 VanDerWaalsContact CA-O 3.29Å; Y138-K157 WeakPolarHBondContact CA-O 3.37Å; V139-K157 HydrophobicContact CG2-CB 4.48Å; V139-K157 PolarHBondContact N-O 2.86Å; L154-K157 HydrophobicContact CD2-CB 4.37Å; L154-K157 HydrophobicContact CD2-CD 4.35Å; L154-K157 PolarHBondContact O-N 3.31Å; Y155-K157 VanDerWaalsContact C-N 3.26Å; Y155-K157 PolarHBondContact O-N 3.35Å
158V83Confident83.2Confident31 Ų3176 Ų7619%0.18840%0.4CS..BIsolated β-bridgetrans-79.3125.1177.8173.70000108.7V139 V141 L150 L154V139-V158 HydrophobicContact CB-CG2 4.09Å; V139-V158 HydrophobicContact CG1-CG2 4.41Å; V139-V158 VanDerWaalsContact O-CA 3.26Å; V139-V158 WeakPolarHBondContact O-CA 3.45Å; V141-V158 HydrophobicContact CG2-CG1 3.69Å; L150-V158 HydrophobicContact CD1-CB 4.03Å; L150-V158 HydrophobicContact CD1-CG1 3.76Å; L150-V158 HydrophobicContact CD1-CG2 4Å; L150-V158 HydrophobicContact CD2-CG2 4.28Å; L154-V158 HydrophobicContact CB-CG2 4.11Å; L154-V158 WeakPolarHBondContact O-CG2 3.46Å; L154-V158 PolarHBondContact O-N 3.38Å
159I73.6Confident82.6Confident113 Ų11370.9 Ų70.958%0.57938%0.384SS*.  trans-95.70168.6-65.5-175.9000107.6Y138 V139 Y140Y138-I159 HydrophobicContact CD1-CD1 3.21Å; Y138-I159 HydrophobicContact CD1-CG1 3.83Å; Y138-I159 HydrophobicContact CE1-CD1 3.68Å; Y138-I159 HydrophobicContact CE1-CG1 4.47Å; Y138-I159 HydrophobicContact CG-CD1 4.05Å; V139-I159 PolarHBondContact O-N 3.08Å; Y140-I159 HydrophobicContact CD1-CB 3.88Å; Y140-I159 HydrophobicContact CD1-CG2 4.13Å; Y140-I159 HydrophobicContact CE1-CB 3.71Å; Y140-I159 HydrophobicContact CE1-CD1 3.76Å; Y140-I159 HydrophobicContact CE1-CG1 4.23Å; Y140-I159 HydrophobicContact CE1-CG2 3.82Å

Retrieved 159 of 159 residues in 57.7 ms (Link to these results)

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