A0A087WP31_MOUSE Loading...

Leucine rich repeat containing 28

AlphaFold DB , UniProt , Accession A0A087WP31, Species MOUSE (Mus musculus, Mouse), Gene Lrrc28, Length 114 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
1M55.6Low81.3Confident174 Ų17471.5 Ų71.586%0.85741%0.41SS*.  0-56.40-93161.6-168.500113.4S3 E4 I5M1-S3 VanDerWaalsContact C-N 3.28Å; M1-S3 PolarHBondContact O-N 3.03Å; M1-E4 PolarHBondContact O-N 3.16Å; M1-E4 VanDerWaalsContact O-N 3.08Å; M1-I5 PolarHBondContact O-N 2.82Å
2A59.8Low82.1Confident75 Ų7565.6 Ų65.662%0.6238%0.376SS*.Hα-helixtrans-53.7-40.4-179.700000114.1E4 I5 C6A2-E4 VanDerWaalsContact C-N 3.3Å; A2-E4 PolarHBondContact O-N 3.26Å; A2-I5 PolarHBondContact O-N 3.48Å; A2-C6 PolarHBondContact O-N 2.9Å; A2-C6 VanDerWaalsContact O-N 3.1Å; A2-C6 PolarHBondContact O-SG 3.22Å
3S71.7Confident82.8Confident77 Ų7765.8 Ų65.854%0.53837%0.367SS..Hα-helixtrans-59.7-34.6178.1179.10000114.2M1 K7M1-S3 VanDerWaalsContact C-N 3.28Å; M1-S3 PolarHBondContact O-N 3.03Å; S3-K7 VanDerWaalsContact O-CG 3.28Å; S3-K7 WeakPolarHBondContact O-CG 3.44Å; S3-K7 PolarHBondContact O-N 3.21Å
4E83.4Confident83.3Confident102 Ų10271.4 Ų71.448%0.47740%0.395SS..Hα-helixtrans-77.6-39.7-176-158.7-172.2134.600111.1M1 A2 K7 T8 R25M1-E4 PolarHBondContact O-N 3.16Å; M1-E4 VanDerWaalsContact O-N 3.08Å; A2-E4 VanDerWaalsContact C-N 3.3Å; A2-E4 PolarHBondContact O-N 3.26Å; E4-K7 WeakPolarHBondContact O-CB 3.49Å; E4-K7 PolarHBondContact O-N 2.71Å; E4-T8 PolarHBondContact O-N 3.07Å; E4-T8 PolarHBondContact O-OG1 2.86Å; E4-T8 VanDerWaalsContact O-OG1 3.1Å; E4-R25 IonicContact OE1-CZ 3.93Å; E4-R25 IonicContact OE1-NH1 2.74Å; E4-R25 PolarHBondContact OE1-NH1 3.36Å; E4-R25 IonicContact OE1-NH2 3.38Å; E4-R25 IonicContact OE2-NH1 2.73Å
5I85.3Confident84Confident12 Ų1275.2 Ų75.26%0.06241%0.408CS..Hα-helixtrans-65.2-44.6176.7-64.2178.1000110.3M1 A2 K7 T8 I9 R25 L27 P31M1-I5 PolarHBondContact O-N 2.82Å; A2-I5 PolarHBondContact O-N 3.48Å; I5-K7 VanDerWaalsContact C-N 3.28Å; I5-K7 PolarHBondContact O-N 3.26Å; I5-T8 PolarHBondContact O-N 2.82Å; I5-I9 HydrophobicContact CG2-CD1 3.66Å; I5-I9 HydrophobicContact CG2-CG1 4.32Å; I5-I9 WeakPolarHBondContact O-CB 3.49Å; I5-I9 VanDerWaalsContact O-CG1 3.25Å; I5-I9 WeakPolarHBondContact O-CG1 3.36Å; I5-I9 PolarHBondContact O-N 2.97Å; I5-R25 HydrophobicContact CD1-CB 3.97Å; I5-R25 HydrophobicContact CD1-CG 4.32Å; I5-L27 HydrophobicContact CD1-CD1 4.4Å; I5-L27 HydrophobicContact CD1-CD2 3.45Å; I5-L27 VanDerWaalsContact CD1-CD2 3.45Å; I5-L27 HydrophobicContact CD1-CG 4.08Å; I5-P31 HydrophobicContact CG2-CB 4.35Å
6C86.9Confident84.5Confident43 Ų4378.4 Ų78.429%0.29142%0.417SS..Hα-helixtrans-57.7-42.3174.3-63.90000111.5A2 I9 S10A2-C6 PolarHBondContact O-N 2.9Å; A2-C6 VanDerWaalsContact O-N 3.1Å; A2-C6 PolarHBondContact O-SG 3.22Å; C6-I9 PolarHBondContact O-N 3.03Å; C6-S10 WeakPolarHBondContact O-CB 3.34Å; C6-S10 PolarHBondContact O-N 2.92Å; C6-S10 PolarHBondContact O-OG 3.23Å
7K89.4Confident85Confident136 Ų13677.7 Ų77.759%0.59141%0.411SS*.Hα-helixtrans-62.5-47.6175.8-73.6172.5-175.3-176.90111.9S3 E4 I5 I9 S10 V11S3-K7 VanDerWaalsContact O-CG 3.28Å; S3-K7 WeakPolarHBondContact O-CG 3.44Å; S3-K7 PolarHBondContact O-N 3.21Å; E4-K7 WeakPolarHBondContact O-CB 3.49Å; E4-K7 PolarHBondContact O-N 2.71Å; I5-K7 VanDerWaalsContact C-N 3.28Å; I5-K7 PolarHBondContact O-N 3.26Å; K7-I9 VanDerWaalsContact C-N 3.31Å; K7-I9 PolarHBondContact O-N 2.72Å; K7-S10 PolarHBondContact O-N 2.93Å; K7-V11 WeakPolarHBondContact O-CG2 3.48Å; K7-V11 PolarHBondContact O-N 2.73Å
8T90.2Very high85.6Confident43 Ų4379.6 Ų79.626%0.26442%0.415SS..Hα-helixtrans-58.4-44.1177.6-55.90000111.5E4 I5 V11 A12 L20 L22E4-T8 PolarHBondContact O-N 3.07Å; E4-T8 PolarHBondContact O-OG1 2.86Å; E4-T8 VanDerWaalsContact O-OG1 3.1Å; I5-T8 PolarHBondContact O-N 2.82Å; T8-V11 PolarHBondContact O-N 3.15Å; T8-A12 WeakPolarHBondContact O-CB 3.39Å; T8-A12 PolarHBondContact O-N 2.7Å; T8-L20 HydrophobicContact CG2-CD1 3.92Å; T8-L22 HydrophobicContact CG2-CD2 4.49Å
9I90.6Very high85.9Confident1 Ų178.7 Ų78.71%0.00541%0.411CS..Hα-helixtrans-64.6-44.7178-66.9169000111I5 C6 K7 V11 A12 R13 P31 E33 L34 L40I5-I9 HydrophobicContact CG2-CD1 3.66Å; I5-I9 HydrophobicContact CG2-CG1 4.32Å; I5-I9 WeakPolarHBondContact O-CB 3.49Å; I5-I9 VanDerWaalsContact O-CG1 3.25Å; I5-I9 WeakPolarHBondContact O-CG1 3.36Å; I5-I9 PolarHBondContact O-N 2.97Å; C6-I9 PolarHBondContact O-N 3.03Å; K7-I9 VanDerWaalsContact C-N 3.31Å; K7-I9 PolarHBondContact O-N 2.72Å; I9-V11 PolarHBondContact O-N 3.4Å; I9-A12 PolarHBondContact O-N 3.11Å; I9-R13 WeakPolarHBondContact O-CB 3.41Å; I9-R13 PolarHBondContact O-N 3.04Å; I9-P31 HydrophobicContact CD1-CB 4.06Å; I9-P31 HydrophobicContact CD1-CG 4.42Å; I9-E33 HydrophobicContact CD1-CB 3.75Å; I9-E33 HydrophobicContact CG2-CB 4.33Å; I9-L34 HydrophobicContact CB-CD2 4.42Å; I9-L34 HydrophobicContact CD1-CD2 3.94Å; I9-L34 HydrophobicContact CD1-CG 3.88Å; I9-L34 HydrophobicContact CG1-CD2 3.7Å; I9-L34 HydrophobicContact CG1-CG 4.23Å; I9-L34 HydrophobicContact CG2-CD2 3.96Å; I9-L40 HydrophobicContact CG2-CD1 4.25Å
10S90.6Very high86.3Confident60 Ų6075 Ų7542%0.4239%0.391SS..Hα-helixtrans-61.7-43.6177.7-66.50000112C6 K7 R13 L14C6-S10 WeakPolarHBondContact O-CB 3.34Å; C6-S10 PolarHBondContact O-N 2.92Å; C6-S10 PolarHBondContact O-OG 3.23Å; K7-S10 PolarHBondContact O-N 2.93Å; S10-R13 PolarHBondContact O-N 3.38Å; S10-L14 WeakPolarHBondContact O-CG 3.47Å; S10-L14 PolarHBondContact O-N 2.98Å
11V90.9Very high86.5Confident63 Ų6377.1 Ų77.138%0.38240%0.398SS..Hα-helixtrans-63.2-47.6175.81720000110.4K7 T8 I9 R13 L14 E15K7-V11 WeakPolarHBondContact O-CG2 3.48Å; K7-V11 PolarHBondContact O-N 2.73Å; T8-V11 PolarHBondContact O-N 3.15Å; I9-V11 PolarHBondContact O-N 3.4Å; V11-R13 PolarHBondContact O-N 2.97Å; V11-L14 PolarHBondContact O-N 2.85Å; V11-L14 VanDerWaalsContact O-N 3.17Å; V11-E15 HydrophobicContact CG1-CG 4.18Å; V11-E15 WeakPolarHBondContact O-CB 3.5Å; V11-E15 PolarHBondContact O-N 2.75Å
12A91.5Very high88.1Confident1 Ų168.9 Ų68.91%0.00836%0.357CS..Hα-helixtrans-58.6-36.4178.300000112.6T8 I9 K16 H17 L20 L40T8-A12 WeakPolarHBondContact O-CB 3.39Å; T8-A12 PolarHBondContact O-N 2.7Å; I9-A12 PolarHBondContact O-N 3.11Å; A12-K16 WeakPolarHBondContact O-CA 3.47Å; A12-K16 PolarHBondContact O-N 3.35Å; A12-K16 VanDerWaalsContact O-N 3.09Å; A12-H17 HydrophobicContact CB-CB 4.06Å; A12-H17 PolarHBondContact O-N 3.2Å; A12-L20 HydrophobicContact CB-CD1 3.93Å; A12-L40 HydrophobicContact CB-CD2 3.89Å
13R90Very high89.3Confident69 Ų6967.1 Ų67.126%0.2634%0.337SS..Hα-helixtrans-67.6-50.8174.3-175.3177.7-66.2154.27.3111.9I9 S10 V11 K16 E33 K36 D37 G39I9-R13 WeakPolarHBondContact O-CB 3.41Å; I9-R13 PolarHBondContact O-N 3.04Å; S10-R13 PolarHBondContact O-N 3.38Å; V11-R13 PolarHBondContact O-N 2.97Å; R13-K16 PolarHBondContact O-N 2.73Å; R13-E33 PolarHBondContact NH2-O 3.07Å; R13-K36 PolarHBondContact NH2-O 3.24Å; R13-D37 IonicContact CZ-OD2 2.69Å; R13-D37 IonicContact NH1-OD2 2.8Å; R13-D37 PolarHBondContact NH1-OD2 2.92Å; R13-G39 PolarHBondContact NE-O 3.32Å; R13-G39 VanDerWaalsContact NE-O 3.11Å
14L90.5Very high89.9Confident144 Ų14469.1 Ų69.175%0.75433%0.334SS*.Hα-helixtrans-63.6-42.9-178-72.7171.1000112S10 V11 K16S10-L14 WeakPolarHBondContact O-CG 3.47Å; S10-L14 PolarHBondContact O-N 2.98Å; V11-L14 PolarHBondContact O-N 2.85Å; V11-L14 VanDerWaalsContact O-N 3.17Å; L14-K16 VanDerWaalsContact C-N 3.29Å; L14-K16 PolarHBondContact O-N 3.17Å
15E93Very high90Very high128 Ų12867.8 Ų67.860%0.59833%0.325SS*.THydrogen-bonded Turntrans-87.62.8-178.5-63.4-171172.600113.2V11 H17V11-E15 HydrophobicContact CG1-CG 4.18Å; V11-E15 WeakPolarHBondContact O-CB 3.5Å; V11-E15 PolarHBondContact O-N 2.75Å; E15-H17 VanDerWaalsContact C-N 3.29Å; E15-H17 WeakPolarHBondContact CB-NE2 3.29Å; E15-H17 PolarHBondContact O-N 3.42Å; E15-H17 IonicContact OE2-CD2 3.61Å; E15-H17 IonicContact OE2-CE1 3.48Å; E15-H17 PolarHBondContact OE2-CE1 3.04Å; E15-H17 IonicContact OE2-NE2 2.86Å; E15-H17 PolarHBondContact OE2-NE2 3Å
16K92.1Very high90Very high127 Ų12771.7 Ų71.755%0.55235%0.346SS*.THydrogen-bonded Turntrans55.344.2176-56.9-179.4171.1-173.10112.4A12 R13 L14 K18 H42A12-K16 WeakPolarHBondContact O-CA 3.47Å; A12-K16 PolarHBondContact O-N 3.35Å; A12-K16 VanDerWaalsContact O-N 3.09Å; R13-K16 PolarHBondContact O-N 2.73Å; L14-K16 VanDerWaalsContact C-N 3.29Å; L14-K16 PolarHBondContact O-N 3.17Å; K16-K18 PolarHBondContact O-N 3.08Å; K16-H42 HydrophobicContact CB-CB 4Å; K16-H42 WeakPolarHBondContact CD-NE2 3.32Å; K16-H42 VanDerWaalsContact CG-CD2 3.43Å; K16-H42 WeakPolarHBondContact CG-CD2 3.37Å
17H94.4Very high90Very high66 Ų6670.7 Ų70.731%0.30634%0.337SS..  trans-62135.9-179.3-72.7178000111A12 E15A12-H17 HydrophobicContact CB-CB 4.06Å; A12-H17 PolarHBondContact O-N 3.2Å; E15-H17 VanDerWaalsContact C-N 3.29Å; E15-H17 WeakPolarHBondContact CB-NE2 3.29Å; E15-H17 PolarHBondContact O-N 3.42Å; E15-H17 IonicContact OE2-CD2 3.61Å; E15-H17 IonicContact OE2-CE1 3.48Å; E15-H17 PolarHBondContact OE2-CE1 3.04Å; E15-H17 IonicContact OE2-NE2 2.86Å; E15-H17 PolarHBondContact OE2-NE2 3Å
18K94.2Very high89.8Confident112 Ų11269.9 Ų69.949%0.48734%0.335SS..SBendtrans-82.4-27.3173.4-66.7-178.6169.6-134.60112.9K16 H42 E44 R45K16-K18 PolarHBondContact O-N 3.08Å; K18-H42 WeakPolarHBondContact CA-O 3.41Å; K18-E44 HydrophobicContact CB-CB 4.42Å; K18-E44 HydrophobicContact CB-CG 4.37Å; K18-E44 WeakPolarHBondContact CD-OE1 2.81Å; K18-E44 WeakPolarHBondContact CE-OE1 3.49Å; K18-E44 HydrophobicContact CG-CG 4.46Å; K18-E44 IonicContact NZ-OE1 3.94Å; K18-E44 PolarHBondContact NZ-OE1 3.24Å; K18-E44 IonicContact NZ-OE2 3.7Å; K18-E44 CarbonylContact O-C 3.49Å; K18-E44 WeakPolarHBondContact O-CA 3.25Å; K18-E44 PolarHBondContact O-N 3.11Å; K18-R45 PolarHBondContact O-N 3.33Å
19N92.4Very high89.7Confident62 Ų6274.4 Ų74.433%0.33235%0.353SS..EExtended strand (participates in β ladder)trans-124.8132-175.9-54.4-36.6000108.9F21 R45N19-F21 HydrophobicContact CB-CE2 4.07Å; N19-F21 HydrophobicContact CB-CZ 4.27Å; N19-R45 CarbonylContact C-O 3.4Å; N19-R45 WeakPolarHBondContact CA-O 3.46Å; N19-R45 HydrophobicContact CB-CB 4.43Å; N19-R45 WeakPolarHBondContact OD1-CB 3.21Å; N19-R45 VanDerWaalsContact OD1-CD 3.32Å; N19-R45 WeakPolarHBondContact OD1-CD 2.95Å; N19-R45 VanDerWaalsContact OD1-CG 3.28Å; N19-R45 WeakPolarHBondContact OD1-CG 3.36Å; N19-R45 PolarHBondContact OD1-NH1 3.18Å; N19-R45 VanDerWaalsContact OD1-NH1 3.17Å
20L92.6Very high89.5Confident5 Ų574.9 Ų74.93%0.02636%0.355CS..EExtended strand (participates in β ladder)trans-128.9128178.3-177.563000111T8 A12 L22 L34 L40 L43 R45 L46 Y47T8-L20 HydrophobicContact CG2-CD1 3.92Å; A12-L20 HydrophobicContact CB-CD1 3.93Å; L20-L22 HydrophobicContact CD1-CD2 4.4Å; L20-L22 HydrophobicContact CD2-CD1 4.13Å; L20-L22 HydrophobicContact CD2-CG 4.24Å; L20-L22 HydrophobicContact CG-CD2 4.37Å; L20-L22 HydrophobicContact CG-CG 4.09Å; L20-L34 HydrophobicContact CD2-CD2 3.38Å; L20-L40 HydrophobicContact CD2-CD2 4.17Å; L20-L43 HydrophobicContact CB-CD1 3.45Å; L20-L43 VanDerWaalsContact CB-CD1 3.45Å; L20-L43 HydrophobicContact CB-CD2 4.28Å; L20-R45 PolarHBondContact N-O 3.39Å; L20-L46 HydrophobicContact CB-CD1 4.13Å; L20-L46 HydrophobicContact CD2-CD1 4.09Å; L20-L46 HydrophobicContact CG-CD1 4.21Å; L20-Y47 PolarHBondContact O-N 3.19Å
21F90.5Very high89.4Confident120 Ų12072.5 Ų72.553%0.52634%0.338SS..EExtended strand (participates in β ladder)trans-110.7107.9-177.6-56.2-87.2000110.3N19 Y47N19-F21 HydrophobicContact CB-CE2 4.07Å; N19-F21 HydrophobicContact CB-CZ 4.27Å; F21-Y47 AromaticContact CD1-CD2 3.42Å; F21-Y47 HydrophobicContact CD1-CD2 3.42Å; F21-Y47 VanDerWaalsContact CD1-CD2 3.42Å; F21-Y47 HydrophobicContact CD1-CE2 4.06Å; F21-Y47 AromaticContact CD1-CG 3.77Å; F21-Y47 HydrophobicContact CD1-CG 3.77Å; F21-Y47 HydrophobicContact CE1-CD1 4.48Å; F21-Y47 AromaticContact CE1-CD2 3.32Å; F21-Y47 HydrophobicContact CE1-CD2 3.32Å; F21-Y47 AromaticContact CE1-CE2 3.45Å; F21-Y47 HydrophobicContact CE1-CE2 3.45Å; F21-Y47 VanDerWaalsContact CE1-CE2 3.45Å; F21-Y47 AromaticContact CE1-CG 3.9Å; F21-Y47 HydrophobicContact CE1-CG 3.9Å; F21-Y47 HydrophobicContact CG-CD2 4.24Å; F21-Y47 HydrophobicContact CZ-CD2 4.06Å; F21-Y47 AromaticContact CZ-CE2 3.89Å; F21-Y47 HydrophobicContact CZ-CE2 3.89Å
22L89.2Confident89.2Confident0 Ų074.6 Ų74.60%035%0.347CS..  trans-11725.2175-59.3-179.9000111.5T8 L20 R25 L27 P31 L34 L46 Y47 M48 N51T8-L22 HydrophobicContact CG2-CD2 4.49Å; L20-L22 HydrophobicContact CD1-CD2 4.4Å; L20-L22 HydrophobicContact CD2-CD1 4.13Å; L20-L22 HydrophobicContact CD2-CG 4.24Å; L20-L22 HydrophobicContact CG-CD2 4.37Å; L20-L22 HydrophobicContact CG-CG 4.09Å; L22-R25 WeakPolarHBondContact O-CG 3.41Å; L22-L27 HydrophobicContact CB-CD1 4.45Å; L22-P31 HydrophobicContact CD1-CG 3.94Å; L22-L34 HydrophobicContact CD1-CD1 3.89Å; L22-L34 HydrophobicContact CD1-CD2 4.49Å; L22-L34 HydrophobicContact CD1-CG 4.5Å; L22-L46 HydrophobicContact CD1-CD1 4.32Å; L22-Y47 CarbonylContact C-O 3.58Å; L22-Y47 WeakPolarHBondContact CA-O 3.4Å; L22-Y47 PolarHBondContact N-O 3.19Å; L22-M48 HydrophobicContact CB-CG 4.18Å; L22-N51 PolarHBondContact O-ND2 2.89Å
23N85.7Confident89.1Confident38 Ų3877.3 Ų77.320%0.20336%0.359CS..THydrogen-bonded Turntrans-65.7148.3178.4-54.8-46.4000111.1R25 Y47 M48 K49N23-R25 PolarHBondContact O-N 3.25Å; N23-Y47 WeakPolarHBondContact OD1-CB 3.35Å; N23-Y47 PolarHBondContact OD1-O 3.43Å; N23-M48 PolarHBondContact OD1-N 3.19Å; N23-K49 CarbonylContact C-O 3.24Å; N23-K49 WeakPolarHBondContact CA-O 3.4Å; N23-K49 HydrophobicContact CB-CB 4.31Å; N23-K49 VanDerWaalsContact OD1-CB 3.32Å; N23-K49 WeakPolarHBondContact OD1-CB 3.37Å; N23-K49 PolarHBondContact OD1-N 2.71Å
24Y84.7Confident88.9Confident120 Ų12074 Ų7447%0.47135%0.347SS..THydrogen-bonded Turntrans60.437.2172.3-45.7-99000114.2K49 R50Y24-K49 PolarHBondContact N-O 3.12Å; Y24-R50 WeakPolarHBondContact CA-O 3.35Å; Y24-R50 HydrophobicContact CD1-CB 3.89Å; Y24-R50 HydrophobicContact CD1-CG 4.33Å; Y24-R50 HydrophobicContact CE1-CB 4.13Å; Y24-R50 HydrophobicContact CE1-CG 4.14Å; Y24-R50 HydrophobicContact CG-CB 4.33Å; Y24-R50 PolarHBondContact N-O 2.96Å
25R85.6Confident88.8Confident74 Ų7467.5 Ų67.528%0.27931%0.313SS..SBendtrans-105.16.4-175.6-67.9-64.6-170165.93.3113.9E4 I5 L22 N23 L27 N51E4-R25 IonicContact OE1-CZ 3.93Å; E4-R25 IonicContact OE1-NH1 2.74Å; E4-R25 PolarHBondContact OE1-NH1 3.36Å; E4-R25 IonicContact OE1-NH2 3.38Å; E4-R25 IonicContact OE2-NH1 2.73Å; I5-R25 HydrophobicContact CD1-CB 3.97Å; I5-R25 HydrophobicContact CD1-CG 4.32Å; L22-R25 WeakPolarHBondContact O-CG 3.41Å; N23-R25 PolarHBondContact O-N 3.25Å; R25-L27 HydrophobicContact CB-CD1 4.06Å; R25-L27 HydrophobicContact CB-CG 3.84Å; R25-L27 PolarHBondContact O-N 3.29Å; R25-L27 VanDerWaalsContact O-N 3.16Å; R25-N51 VanDerWaalsContact C-OD1 3.3Å; R25-N51 WeakPolarHBondContact CA-OD1 2.99Å; R25-N51 WeakPolarHBondContact CB-OD1 3.41Å; R25-N51 PolarHBondContact N-OD1 3.46Å
26N84.9Confident88.5Confident94 Ų9466.5 Ų66.550%0.50331%0.307SS..  trans49.436.2-175-66-10.6000112.5H28 N51N26-H28 PolarHBondContact O-CD2 3.08Å; N26-H28 PolarHBondContact O-N 3.1Å; N26-N51 PolarHBondContact N-OD1 3.21Å; N26-N51 VanDerWaalsContact N-OD1 3.12Å
27L85.9Confident88.1Confident22 Ų2266.2 Ų66.212%0.11531%0.311CS..  trans-73.2116.8178.5-68.9169.4000109.4I5 L22 R25 P31 N51 S52 L53I5-L27 HydrophobicContact CD1-CD1 4.4Å; I5-L27 HydrophobicContact CD1-CD2 3.45Å; I5-L27 VanDerWaalsContact CD1-CD2 3.45Å; I5-L27 HydrophobicContact CD1-CG 4.08Å; L22-L27 HydrophobicContact CB-CD1 4.45Å; R25-L27 HydrophobicContact CB-CD1 4.06Å; R25-L27 HydrophobicContact CB-CG 3.84Å; R25-L27 PolarHBondContact O-N 3.29Å; R25-L27 VanDerWaalsContact O-N 3.16Å; L27-P31 HydrophobicContact CD1-CG 4.23Å; L27-N51 HydrophobicContact CB-CB 3.9Å; L27-N51 WeakPolarHBondContact CB-OD1 3.37Å; L27-N51 PolarHBondContact N-OD1 2.88Å; L27-S52 CarbonylContact O-C 3.48Å; L27-S52 WeakPolarHBondContact O-CA 3.34Å; L27-S52 PolarHBondContact O-N 2.91Å; L27-L53 HydrophobicContact CB-CD2 3.89Å; L27-L53 PolarHBondContact O-N 2.92Å
28H86.8Confident87.5Confident119 Ų11970.3 Ų70.355%0.55133%0.33SS*.SBendtrans-80.5-25.8173-67.6-86.6000112.2N26 S52 L53N26-H28 PolarHBondContact O-CD2 3.08Å; N26-H28 PolarHBondContact O-N 3.1Å; H28-S52 WeakPolarHBondContact CA-O 3.38Å; H28-S52 VanDerWaalsContact O-O 3.13Å; H28-L53 WeakPolarHBondContact O-CA 3.34Å
29H87.1Confident87Confident137 Ų13765.1 Ų65.163%0.63431%0.309SS*.SBendtrans-133.2152-176.3-58.44.4000109.3L53H29-L53 WeakPolarHBondContact O-CD2 3.36Å
30F87.4Confident86.9Confident11 Ų1162.4 Ų62.45%0.04829%0.294CS..  trans-61.9131.1177.6-175.1-81.9000108.7L32 L34 L35 L46 M48 L53 L56 P57 L60F30-L32 PolarHBondContact O-N 3.03Å; F30-L34 HydrophobicContact CE1-CB 3.87Å; F30-L34 HydrophobicContact CE1-CD1 3.79Å; F30-L34 HydrophobicContact CE1-CG 4.39Å; F30-L34 HydrophobicContact CE2-CD1 4.23Å; F30-L34 HydrophobicContact CZ-CB 4.2Å; F30-L34 HydrophobicContact CZ-CD1 3.51Å; F30-L34 HydrophobicContact CZ-CG 4.49Å; F30-L35 HydrophobicContact CD1-CD1 4.06Å; F30-L35 HydrophobicContact CD1-CG 4.3Å; F30-L35 HydrophobicContact CE1-CD1 3.92Å; F30-L35 HydrophobicContact CE1-CD2 3.74Å; F30-L35 HydrophobicContact CE1-CG 3.72Å; F30-L35 HydrophobicContact CZ-CD2 4.26Å; F30-L46 HydrophobicContact CE2-CD2 4.14Å; F30-L46 HydrophobicContact CZ-CD2 4.26Å; F30-M48 HydrophobicContact CD2-CE 3.71Å; F30-M48 HydrophobicContact CD2-SD 3.84Å; F30-M48 HydrophobicContact CE2-CE 3.43Å; F30-M48 VanDerWaalsContact CE2-CE 3.43Å; F30-M48 HydrophobicContact CE2-SD 3.7Å; F30-L53 VanDerWaalsContact N-CD2 3.34Å; F30-L56 HydrophobicContact CD2-CD2 3.86Å; F30-L56 HydrophobicContact CE2-CD2 4.37Å; F30-P57 HydrophobicContact CB-CG 4.32Å; F30-P57 HydrophobicContact CD1-CG 3.58Å; F30-P57 HydrophobicContact CD2-CG 4.35Å; F30-P57 HydrophobicContact CE1-CG 3.88Å; F30-P57 HydrophobicContact CG-CG 3.83Å; F30-P57 HydrophobicContact CZ-CG 4.38Å; F30-L60 HydrophobicContact CD2-CD1 4.3Å; F30-L60 HydrophobicContact CE1-CD1 4.43Å; F30-L60 HydrophobicContact CE2-CD1 3.51Å; F30-L60 HydrophobicContact CZ-CD1 3.59Å
31P88.3Confident86.7Confident11 Ų1165.3 Ų65.37%0.07131%0.307CS..  trans-70.3103.2-17625.4-29.2000109.6I5 I9 L22 L27 E33 L34I5-P31 HydrophobicContact CG2-CB 4.35Å; I9-P31 HydrophobicContact CD1-CB 4.06Å; I9-P31 HydrophobicContact CD1-CG 4.42Å; L22-P31 HydrophobicContact CD1-CG 3.94Å; L27-P31 HydrophobicContact CD1-CG 4.23Å; P31-E33 PolarHBondContact O-N 2.7Å; P31-E33 VanDerWaalsContact O-N 3.09Å; P31-L34 HydrophobicContact CG-CD1 3.69Å; P31-L34 HydrophobicContact CG-CG 4.03Å; P31-L34 WeakPolarHBondContact O-CB 3.36Å; P31-L34 PolarHBondContact O-N 2.93Å
32L87.1Confident86.8Confident106 Ų10663.9 Ų63.956%0.55530%0.302SS*.G310 helixtrans-60.1-21.3-178.1-63.2179.3000112.3F30 L34 L35 K36F30-L32 PolarHBondContact O-N 3.03Å; L32-L34 PolarHBondContact O-N 2.89Å; L32-L35 HydrophobicContact CD2-CD1 3.89Å; L32-L35 CarbonylContact O-C 3.58Å; L32-L35 WeakPolarHBondContact O-CA 3.32Å; L32-L35 WeakPolarHBondContact O-CB 3.28Å; L32-L35 PolarHBondContact O-N 2.89Å; L32-K36 PolarHBondContact O-N 2.78Å
33E87.9Confident87Confident58 Ų5863.9 Ų63.927%0.27130%0.302SS..G310 helixtrans-53.2-32.5168.8-85.163.8-148.500113.7I9 R13 P31 L35 K36I9-E33 HydrophobicContact CD1-CB 3.75Å; I9-E33 HydrophobicContact CG2-CB 4.33Å; R13-E33 PolarHBondContact NH2-O 3.07Å; P31-E33 PolarHBondContact O-N 2.7Å; P31-E33 VanDerWaalsContact O-N 3.09Å; E33-L35 PolarHBondContact O-N 3.03Å; E33-K36 HydrophobicContact CG-CD 4.25Å; E33-K36 PolarHBondContact O-N 3.11Å; E33-K36 WeakPolarHBondContact OE1-CE 3.45Å; E33-K36 IonicContact OE1-NZ 3.83Å; E33-K36 PolarHBondContact OE1-NZ 2.67Å
34L87.4Confident87.4Confident0 Ų064.3 Ų64.30%030%0.303CS..G310 helixtrans-63-27.1172.6-71.3176.2000112.3I9 L20 L22 F30 P31 L32 G39 L40 L46I9-L34 HydrophobicContact CB-CD2 4.42Å; I9-L34 HydrophobicContact CD1-CD2 3.94Å; I9-L34 HydrophobicContact CD1-CG 3.88Å; I9-L34 HydrophobicContact CG1-CD2 3.7Å; I9-L34 HydrophobicContact CG1-CG 4.23Å; I9-L34 HydrophobicContact CG2-CD2 3.96Å; L20-L34 HydrophobicContact CD2-CD2 3.38Å; L22-L34 HydrophobicContact CD1-CD1 3.89Å; L22-L34 HydrophobicContact CD1-CD2 4.49Å; L22-L34 HydrophobicContact CD1-CG 4.5Å; F30-L34 HydrophobicContact CE1-CB 3.87Å; F30-L34 HydrophobicContact CE1-CD1 3.79Å; F30-L34 HydrophobicContact CE1-CG 4.39Å; F30-L34 HydrophobicContact CE2-CD1 4.23Å; F30-L34 HydrophobicContact CZ-CB 4.2Å; F30-L34 HydrophobicContact CZ-CD1 3.51Å; F30-L34 HydrophobicContact CZ-CG 4.49Å; P31-L34 HydrophobicContact CG-CD1 3.69Å; P31-L34 HydrophobicContact CG-CG 4.03Å; P31-L34 WeakPolarHBondContact O-CB 3.36Å; P31-L34 PolarHBondContact O-N 2.93Å; L32-L34 PolarHBondContact O-N 2.89Å; L34-G39 WeakPolarHBondContact O-CA 3.34Å; L34-L40 HydrophobicContact CB-CD1 4.21Å; L34-L40 HydrophobicContact CD2-CD1 3.6Å; L34-L40 HydrophobicContact CD2-CD2 4.29Å; L34-L40 VanDerWaalsContact O-CD1 3.3Å; L34-L40 WeakPolarHBondContact O-CD1 3.37Å; L34-L46 HydrophobicContact CD1-CD1 4.36Å; L34-L46 HydrophobicContact CD1-CD2 4.12Å
35L87.8Confident87.7Confident8 Ų861.6 Ų61.64%0.04229%0.292CS..G310 helixtrans-100.3-8-175.6-48.4175.7000112.7F30 L32 E33 P57 N59 K63F30-L35 HydrophobicContact CD1-CD1 4.06Å; F30-L35 HydrophobicContact CD1-CG 4.3Å; F30-L35 HydrophobicContact CE1-CD1 3.92Å; F30-L35 HydrophobicContact CE1-CD2 3.74Å; F30-L35 HydrophobicContact CE1-CG 3.72Å; F30-L35 HydrophobicContact CZ-CD2 4.26Å; L32-L35 HydrophobicContact CD2-CD1 3.89Å; L32-L35 CarbonylContact O-C 3.58Å; L32-L35 WeakPolarHBondContact O-CA 3.32Å; L32-L35 WeakPolarHBondContact O-CB 3.28Å; L32-L35 PolarHBondContact O-N 2.89Å; E33-L35 PolarHBondContact O-N 3.03Å; L35-P57 HydrophobicContact CD1-CB 3.49Å; L35-P57 VanDerWaalsContact CD1-CB 3.49Å; L35-P57 HydrophobicContact CD1-CG 3.27Å; L35-P57 HydrophobicContact CD2-CG 4.35Å; L35-P57 HydrophobicContact CG-CG 4.34Å; L35-N59 WeakPolarHBondContact CD1-OD1 3.39Å; L35-K63 HydrophobicContact CB-CB 4.33Å; L35-K63 HydrophobicContact CB-CG 4.03Å; L35-K63 HydrophobicContact CD2-CB 3.79Å; L35-K63 HydrophobicContact CD2-CG 4.23Å; L35-K63 VanDerWaalsContact O-CD 3.27Å; L35-K63 WeakPolarHBondContact O-CD 3.35Å; L35-K63 WeakPolarHBondContact O-CE 3.2Å
36K85.6Confident88Confident107 Ų10758.1 Ų58.147%0.46528%0.279SS..SBendtrans-64.8153.4177-81.2-175.2175.4170.60111.2R13 L32 E33 E38 G39R13-K36 PolarHBondContact NH2-O 3.24Å; L32-K36 PolarHBondContact O-N 2.78Å; E33-K36 HydrophobicContact CG-CD 4.25Å; E33-K36 PolarHBondContact O-N 3.11Å; E33-K36 WeakPolarHBondContact OE1-CE 3.45Å; E33-K36 IonicContact OE1-NZ 3.83Å; E33-K36 PolarHBondContact OE1-NZ 2.67Å; K36-E38 PolarHBondContact O-N 3.32Å; K36-G39 WeakPolarHBondContact O-CA 3.43Å; K36-G39 PolarHBondContact O-N 3.49Å
37D85.7Confident88.2Confident120 Ų12056 Ų5664%0.64226%0.264SS*.THydrogen-bonded Turntrans55.1-131.1178-45.7-51.4000111.4R13 G39 K63R13-D37 IonicContact CZ-OD2 2.69Å; R13-D37 IonicContact NH1-OD2 2.8Å; R13-D37 PolarHBondContact NH1-OD2 2.92Å; D37-G39 PolarHBondContact O-N 3.45Å; D37-K63 PolarHBondContact O-NZ 3.17Å
38E81.4Confident88.2Confident153 Ų15355.3 Ų55.372%0.71526%0.26SS*.THydrogen-bonded Turntrans-79.72.2174.1-57.7-162.616800113.2K36 Q41K36-E38 PolarHBondContact O-N 3.32Å; E38-Q41 PolarHBondContact O-NE2 3.09Å
39G83.8Confident88Confident3 Ų351.1 Ų51.13%0.03124%0.24CC..  trans75.9-152.2-176.500000113.3R13 L34 K36 D37R13-G39 PolarHBondContact NE-O 3.32Å; R13-G39 VanDerWaalsContact NE-O 3.11Å; L34-G39 WeakPolarHBondContact O-CA 3.34Å; K36-G39 WeakPolarHBondContact O-CA 3.43Å; K36-G39 PolarHBondContact O-N 3.49Å; D37-G39 PolarHBondContact O-N 3.45Å
40L88.8Confident87.7Confident4 Ų448 Ų482%0.02122%0.223CC..  trans-115.481.1174.4-71.482.8000109.8I9 A12 L20 L34 H42 L43 K63 L64I9-L40 HydrophobicContact CG2-CD1 4.25Å; A12-L40 HydrophobicContact CB-CD2 3.89Å; L20-L40 HydrophobicContact CD2-CD2 4.17Å; L34-L40 HydrophobicContact CB-CD1 4.21Å; L34-L40 HydrophobicContact CD2-CD1 3.6Å; L34-L40 HydrophobicContact CD2-CD2 4.29Å; L34-L40 VanDerWaalsContact O-CD1 3.3Å; L34-L40 WeakPolarHBondContact O-CD1 3.37Å; L40-H42 PolarHBondContact O-N 2.74Å; L40-H42 VanDerWaalsContact O-N 3.11Å; L40-L43 HydrophobicContact CB-CB 3.72Å; L40-L43 HydrophobicContact CB-CD2 4.39Å; L40-L43 HydrophobicContact CD2-CB 4.49Å; L40-L43 HydrophobicContact CD2-CD1 4.43Å; L40-L43 HydrophobicContact CD2-CD2 4.35Å; L40-L43 WeakPolarHBondContact O-CB 3Å; L40-L43 PolarHBondContact O-N 3Å; L40-K63 PolarHBondContact N-O 2.84Å; L40-L64 HydrophobicContact CB-CD2 3.73Å; L40-L64 HydrophobicContact CD1-CD2 4.35Å
41Q89.3Confident87.6Confident66 Ų6647.5 Ų47.531%0.30822%0.221SC..THydrogen-bonded Turntrans-60.6-22.5-175.4-65.3-61-38.500114.2E38 N66E38-Q41 PolarHBondContact O-NE2 3.09Å; Q41-N66 PolarHBondContact O-ND2 3.45Å
42H92Very high87.5Confident90 Ų9048 Ų4842%0.41722%0.224SC..THydrogen-bonded Turntrans-96.6-4.1179.1-64.3-72.2000113.7K16 K18 L40 E44K16-H42 HydrophobicContact CB-CB 4Å; K16-H42 WeakPolarHBondContact CD-NE2 3.32Å; K16-H42 VanDerWaalsContact CG-CD2 3.43Å; K16-H42 WeakPolarHBondContact CG-CD2 3.37Å; K18-H42 WeakPolarHBondContact CA-O 3.41Å; L40-H42 PolarHBondContact O-N 2.74Å; L40-H42 VanDerWaalsContact O-N 3.11Å; H42-E44 PolarHBondContact O-N 3.34Å
43L93.8Very high87.5Confident0 Ų042.9 Ų42.90%020%0.198CC..  trans-74.4121.5-176.2-167.272.9000110.3L20 L40 L46 L64 N66 L67L20-L43 HydrophobicContact CB-CD1 3.45Å; L20-L43 VanDerWaalsContact CB-CD1 3.45Å; L20-L43 HydrophobicContact CB-CD2 4.28Å; L40-L43 HydrophobicContact CB-CB 3.72Å; L40-L43 HydrophobicContact CB-CD2 4.39Å; L40-L43 HydrophobicContact CD2-CB 4.49Å; L40-L43 HydrophobicContact CD2-CD1 4.43Å; L40-L43 HydrophobicContact CD2-CD2 4.35Å; L40-L43 WeakPolarHBondContact O-CB 3Å; L40-L43 PolarHBondContact O-N 3Å; L43-L46 HydrophobicContact CD2-CB 4.1Å; L43-L46 HydrophobicContact CD2-CD1 4.35Å; L43-L64 HydrophobicContact CB-CD2 4.39Å; L43-L64 HydrophobicContact CD2-CD1 4.42Å; L43-L64 HydrophobicContact CD2-CD2 3.96Å; L43-N66 CarbonylContact O-C 3.58Å; L43-N66 VanDerWaalsContact O-C 3.24Å; L43-L67 HydrophobicContact CD2-CD1 4.09Å; L43-L67 HydrophobicContact CG-CD1 4.16Å; L43-L67 PolarHBondContact O-N 3.14Å
44E93.8Very high87.3Confident47 Ų4742.9 Ų42.922%0.2220%0.202CC..  trans-104.1-34176.9-66.2174.1-166.800111.3K18 H42 N66 V68 E69K18-E44 HydrophobicContact CB-CB 4.42Å; K18-E44 HydrophobicContact CB-CG 4.37Å; K18-E44 WeakPolarHBondContact CD-OE1 2.81Å; K18-E44 WeakPolarHBondContact CE-OE1 3.49Å; K18-E44 HydrophobicContact CG-CG 4.46Å; K18-E44 IonicContact NZ-OE1 3.94Å; K18-E44 PolarHBondContact NZ-OE1 3.24Å; K18-E44 IonicContact NZ-OE2 3.7Å; K18-E44 CarbonylContact O-C 3.49Å; K18-E44 WeakPolarHBondContact O-CA 3.25Å; K18-E44 PolarHBondContact O-N 3.11Å; H42-E44 PolarHBondContact O-N 3.34Å; E44-N66 WeakPolarHBondContact CA-O 3.22Å; E44-V68 HydrophobicContact CB-CG2 4.15Å; E44-V68 HydrophobicContact CG-CG2 4.37Å; E44-V68 WeakPolarHBondContact O-CA 3.19Å; E44-V68 PolarHBondContact O-N 3.41Å; E44-E69 PolarHBondContact O-N 2.79Å
45R92.1Very high87.2Confident64 Ų6446.3 Ų46.324%0.24222%0.223CC..EExtended strand (participates in β ladder)trans-130.8126.4-176.8-51.7-173.9177.967.47.3111.8K18 N19 L20 Y47 E69K18-R45 PolarHBondContact O-N 3.33Å; N19-R45 CarbonylContact C-O 3.4Å; N19-R45 WeakPolarHBondContact CA-O 3.46Å; N19-R45 HydrophobicContact CB-CB 4.43Å; N19-R45 WeakPolarHBondContact OD1-CB 3.21Å; N19-R45 VanDerWaalsContact OD1-CD 3.32Å; N19-R45 WeakPolarHBondContact OD1-CD 2.95Å; N19-R45 VanDerWaalsContact OD1-CG 3.28Å; N19-R45 WeakPolarHBondContact OD1-CG 3.36Å; N19-R45 PolarHBondContact OD1-NH1 3.18Å; N19-R45 VanDerWaalsContact OD1-NH1 3.17Å; L20-R45 PolarHBondContact N-O 3.39Å; R45-Y47 HydrophobicContact CB-CE2 3.69Å; R45-Y47 WeakPolarHBondContact CD-OH 3.17Å; R45-E69 WeakPolarHBondContact CA-O 3.27Å; R45-E69 HydrophobicContact CB-CB 4.33Å; R45-E69 WeakPolarHBondContact CD-OE2 3.48Å; R45-E69 HydrophobicContact CG-CB 4Å; R45-E69 HydrophobicContact CG-CG 4.29Å; R45-E69 IonicContact CZ-OE1 2.86Å; R45-E69 VanDerWaalsContact NE-CD 3.28Å; R45-E69 IonicContact NE-OE1 3.45Å; R45-E69 PolarHBondContact NE-OE1 3.25Å; R45-E69 IonicContact NE-OE2 3.66Å; R45-E69 PolarHBondContact NE-OE2 3.23Å; R45-E69 IonicContact NH2-OE1 3.9Å; R45-E69 PolarHBondContact NH2-OE1 2.94Å
46L91.4Very high87.1Confident1 Ų146.5 Ų46.51%0.00522%0.224CC..EExtended strand (participates in β ladder)trans-121.6120.9177179.558.1000110.4L20 L22 F30 L34 L43 M48 L64 L67 E69 L70 L71L20-L46 HydrophobicContact CB-CD1 4.13Å; L20-L46 HydrophobicContact CD2-CD1 4.09Å; L20-L46 HydrophobicContact CG-CD1 4.21Å; L22-L46 HydrophobicContact CD1-CD1 4.32Å; F30-L46 HydrophobicContact CE2-CD2 4.14Å; F30-L46 HydrophobicContact CZ-CD2 4.26Å; L34-L46 HydrophobicContact CD1-CD1 4.36Å; L34-L46 HydrophobicContact CD1-CD2 4.12Å; L43-L46 HydrophobicContact CD2-CB 4.1Å; L43-L46 HydrophobicContact CD2-CD1 4.35Å; L46-M48 HydrophobicContact CD1-CG 4.02Å; L46-M48 HydrophobicContact CD1-SD 4.45Å; L46-M48 HydrophobicContact CD2-CE 3.75Å; L46-M48 HydrophobicContact CD2-CG 4.42Å; L46-M48 HydrophobicContact CD2-SD 4.03Å; L46-M48 HydrophobicContact CG-CE 4.13Å; L46-M48 HydrophobicContact CG-CG 3.98Å; L46-M48 HydrophobicContact CG-SD 4.25Å; L46-L64 HydrophobicContact CD2-CD1 4.08Å; L46-L67 HydrophobicContact CB-CD1 3.84Å; L46-E69 PolarHBondContact N-O 2.99Å; L46-L70 HydrophobicContact CB-CD1 3.97Å; L46-L70 HydrophobicContact CD2-CD1 3.99Å; L46-L70 HydrophobicContact CG-CD1 4.02Å; L46-L71 PolarHBondContact O-N 2.94Å
47Y89.2Confident87.2Confident49 Ų4942.2 Ų42.219%0.19221%0.207CC..EExtended strand (participates in β ladder)trans-110.6119.3178.4-56.6-93.5000109.9L20 F21 L22 N23 R45 L71L20-Y47 PolarHBondContact O-N 3.19Å; F21-Y47 AromaticContact CD1-CD2 3.42Å; F21-Y47 HydrophobicContact CD1-CD2 3.42Å; F21-Y47 VanDerWaalsContact CD1-CD2 3.42Å; F21-Y47 HydrophobicContact CD1-CE2 4.06Å; F21-Y47 AromaticContact CD1-CG 3.77Å; F21-Y47 HydrophobicContact CD1-CG 3.77Å; F21-Y47 HydrophobicContact CE1-CD1 4.48Å; F21-Y47 AromaticContact CE1-CD2 3.32Å; F21-Y47 HydrophobicContact CE1-CD2 3.32Å; F21-Y47 AromaticContact CE1-CE2 3.45Å; F21-Y47 HydrophobicContact CE1-CE2 3.45Å; F21-Y47 VanDerWaalsContact CE1-CE2 3.45Å; F21-Y47 AromaticContact CE1-CG 3.9Å; F21-Y47 HydrophobicContact CE1-CG 3.9Å; F21-Y47 HydrophobicContact CG-CD2 4.24Å; F21-Y47 HydrophobicContact CZ-CD2 4.06Å; F21-Y47 AromaticContact CZ-CE2 3.89Å; F21-Y47 HydrophobicContact CZ-CE2 3.89Å; L22-Y47 CarbonylContact C-O 3.58Å; L22-Y47 WeakPolarHBondContact CA-O 3.4Å; L22-Y47 PolarHBondContact N-O 3.19Å; N23-Y47 WeakPolarHBondContact OD1-CB 3.35Å; N23-Y47 PolarHBondContact OD1-O 3.43Å; R45-Y47 HydrophobicContact CB-CE2 3.69Å; R45-Y47 WeakPolarHBondContact CD-OH 3.17Å; Y47-L71 HydrophobicContact CD1-CB 3.75Å; Y47-L71 HydrophobicContact CD1-CD1 4.07Å; Y47-L71 HydrophobicContact CE1-CB 3.9Å; Y47-L71 HydrophobicContact CE1-CD1 3.3Å; Y47-L71 HydrophobicContact CE1-CG 4.19Å
48M86.5Confident87.2Confident7 Ų744.3 Ų44.33%0.03421%0.213CC..  trans-131.327.6-178.4-66.6-170.9-68.200113.3L22 N23 F30 L46 N51 L53 L56 L70 N84L22-M48 HydrophobicContact CB-CG 4.18Å; N23-M48 PolarHBondContact OD1-N 3.19Å; F30-M48 HydrophobicContact CD2-CE 3.71Å; F30-M48 HydrophobicContact CD2-SD 3.84Å; F30-M48 HydrophobicContact CE2-CE 3.43Å; F30-M48 VanDerWaalsContact CE2-CE 3.43Å; F30-M48 HydrophobicContact CE2-SD 3.7Å; L46-M48 HydrophobicContact CD1-CG 4.02Å; L46-M48 HydrophobicContact CD1-SD 4.45Å; L46-M48 HydrophobicContact CD2-CE 3.75Å; L46-M48 HydrophobicContact CD2-CG 4.42Å; L46-M48 HydrophobicContact CD2-SD 4.03Å; L46-M48 HydrophobicContact CG-CE 4.13Å; L46-M48 HydrophobicContact CG-CG 3.98Å; L46-M48 HydrophobicContact CG-SD 4.25Å; M48-N51 PolarHBondContact O-ND2 3.11Å; M48-L53 HydrophobicContact CB-CD1 4.24Å; M48-L53 HydrophobicContact CE-CD1 4.19Å; M48-L53 HydrophobicContact SD-CD1 3.98Å; M48-L56 HydrophobicContact CE-CD2 4.26Å; M48-L70 HydrophobicContact CE-CD1 3.84Å; M48-N84 PolarHBondContact O-ND2 3.37Å
49K82.3Confident87.6Confident31 Ų3140.1 Ų40.114%0.13520%0.195CC..  trans-56145.7178.9-179.1178.5177.2-1650112.1N23 Y24 N51 G72 F74N23-K49 CarbonylContact C-O 3.24Å; N23-K49 WeakPolarHBondContact CA-O 3.4Å; N23-K49 HydrophobicContact CB-CB 4.31Å; N23-K49 VanDerWaalsContact OD1-CB 3.32Å; N23-K49 WeakPolarHBondContact OD1-CB 3.37Å; N23-K49 PolarHBondContact OD1-N 2.71Å; Y24-K49 PolarHBondContact N-O 3.12Å; K49-N51 PolarHBondContact O-N 3.25Å; K49-G72 WeakPolarHBondContact CB-O 3.24Å; K49-G72 WeakPolarHBondContact CG-O 2.98Å; K49-F74 PolarHBondContact NZ-O 3.09Å
50R81Confident87.7Confident72 Ų7240 Ų4027%0.27219%0.194SC..SBendtrans52.855176.3-81.5174.1149.6-151.931.7112.1Y24 L81Y24-R50 WeakPolarHBondContact CA-O 3.35Å; Y24-R50 HydrophobicContact CD1-CB 3.89Å; Y24-R50 HydrophobicContact CD1-CG 4.33Å; Y24-R50 HydrophobicContact CE1-CB 4.13Å; Y24-R50 HydrophobicContact CE1-CG 4.14Å; Y24-R50 HydrophobicContact CG-CB 4.33Å; Y24-R50 PolarHBondContact N-O 2.96Å; R50-L81 VanDerWaalsContact CZ-CD2 3.4Å
51N84.7Confident87.6Confident0 Ų040.2 Ų40.20%020%0.197CC..  trans-114.2-172.2159.5-73.6-65.5000107.4L22 R25 N26 L27 M48 K49 L53 S83 N84L22-N51 PolarHBondContact O-ND2 2.89Å; R25-N51 VanDerWaalsContact C-OD1 3.3Å; R25-N51 WeakPolarHBondContact CA-OD1 2.99Å; R25-N51 WeakPolarHBondContact CB-OD1 3.41Å; R25-N51 PolarHBondContact N-OD1 3.46Å; N26-N51 PolarHBondContact N-OD1 3.21Å; N26-N51 VanDerWaalsContact N-OD1 3.12Å; L27-N51 HydrophobicContact CB-CB 3.9Å; L27-N51 WeakPolarHBondContact CB-OD1 3.37Å; L27-N51 PolarHBondContact N-OD1 2.88Å; M48-N51 PolarHBondContact O-ND2 3.11Å; K49-N51 PolarHBondContact O-N 3.25Å; N51-L53 HydrophobicContact CB-CG 4Å; N51-S83 CarbonylContact O-C 3.03Å; N51-S83 VanDerWaalsContact O-O 3.12Å; N51-N84 WeakPolarHBondContact CA-OD1 3.28Å; N51-N84 WeakPolarHBondContact CB-OD1 3.45Å; N51-N84 WeakPolarHBondContact O-CA 3.41Å; N51-N84 PolarHBondContact O-OD1 3.11Å
52S86.4Confident87.5Confident21 Ų2143.8 Ų43.815%0.14721%0.213CC..  trans-119.835.5178.5-55.60000110.4L27 H28 N84L27-S52 CarbonylContact O-C 3.48Å; L27-S52 WeakPolarHBondContact O-CA 3.34Å; L27-S52 PolarHBondContact O-N 2.91Å; H28-S52 WeakPolarHBondContact CA-O 3.38Å; H28-S52 VanDerWaalsContact O-O 3.13Å; S52-N84 PolarHBondContact N-OD1 2.75Å
53L86.3Confident87.4Confident0 Ų041.7 Ų41.70%020%0.203CC..  trans-64.8132.6-177-59.8176.6000110.1L27 H28 H29 F30 M48 N51 N84 N85 I86L27-L53 HydrophobicContact CB-CD2 3.89Å; L27-L53 PolarHBondContact O-N 2.92Å; H28-L53 WeakPolarHBondContact O-CA 3.34Å; H29-L53 WeakPolarHBondContact O-CD2 3.36Å; F30-L53 VanDerWaalsContact N-CD2 3.34Å; M48-L53 HydrophobicContact CB-CD1 4.24Å; M48-L53 HydrophobicContact CE-CD1 4.19Å; M48-L53 HydrophobicContact SD-CD1 3.98Å; N51-L53 HydrophobicContact CB-CG 4Å; L53-N84 HydrophobicContact CB-CB 4.16Å; L53-N84 VanDerWaalsContact CB-OD1 3.25Å; L53-N84 WeakPolarHBondContact CB-OD1 3.44Å; L53-N84 WeakPolarHBondContact CG-OD1 3.43Å; L53-N84 PolarHBondContact N-OD1 3.19Å; L53-N85 CarbonylContact O-C 3.22Å; L53-N85 VanDerWaalsContact O-CA 3.29Å; L53-N85 WeakPolarHBondContact O-CA 3.3Å; L53-N85 PolarHBondContact O-N 3.31Å; L53-I86 HydrophobicContact CB-CG1 4.14Å; L53-I86 PolarHBondContact O-N 2.82Å
54T85Confident87.2Confident58 Ų5841.7 Ų41.736%0.35620%0.203SC..  trans-100.8-24.8178.751.80000113.7N85 I86 V87T54-N85 WeakPolarHBondContact CA-O 3.5Å; T54-N85 HydrophobicContact CG2-CB 4.45Å; T54-I86 WeakPolarHBondContact O-CA 3.47Å; T54-V87 PolarHBondContact O-N 3.41Å
55T84.6Confident87Confident72 Ų7241.4 Ų41.444%0.44221%0.205SC..BIsolated β-bridgetrans-148.1153.9-176.659.60000110.7
56L86Confident87Confident11 Ų1140.5 Ų40.56%0.05821%0.205CC..  trans-101.9148.3165.5-63.9175.4000109.8F30 M48 L70 I86 P90 I93 L104F30-L56 HydrophobicContact CD2-CD2 3.86Å; F30-L56 HydrophobicContact CE2-CD2 4.37Å; M48-L56 HydrophobicContact CE-CD2 4.26Å; L56-L70 HydrophobicContact CD1-CD2 4.19Å; L56-I86 HydrophobicContact CD1-CD1 4.3Å; L56-I86 HydrophobicContact CD2-CD1 4.11Å; L56-I86 HydrophobicContact CG-CD1 4.04Å; L56-P90 HydrophobicContact CB-CG 4.03Å; L56-I93 HydrophobicContact CD1-CD1 3.52Å; L56-L104 HydrophobicContact CD1-CD2 4.28Å
57P87.6Confident86.9Confident18 Ų1840.4 Ų40.412%0.11721%0.205CC..  trans-80.4145-174.930.3-31.9000112.4F30 L35 N59 L60F30-P57 HydrophobicContact CB-CG 4.32Å; F30-P57 HydrophobicContact CD1-CG 3.58Å; F30-P57 HydrophobicContact CD2-CG 4.35Å; F30-P57 HydrophobicContact CE1-CG 3.88Å; F30-P57 HydrophobicContact CG-CG 3.83Å; F30-P57 HydrophobicContact CZ-CG 4.38Å; L35-P57 HydrophobicContact CD1-CB 3.49Å; L35-P57 VanDerWaalsContact CD1-CB 3.49Å; L35-P57 HydrophobicContact CD1-CG 3.27Å; L35-P57 HydrophobicContact CD2-CG 4.35Å; L35-P57 HydrophobicContact CG-CG 4.34Å; P57-N59 VanDerWaalsContact C-N 3.3Å; P57-N59 PolarHBondContact O-N 3.28Å; P57-L60 HydrophobicContact CG-CB 4.11Å; P57-L60 HydrophobicContact CG-CD1 4.1Å; P57-L60 WeakPolarHBondContact O-CB 3.48Å; P57-L60 PolarHBondContact O-N 2.79Å
58E86.1Confident87Confident164 Ų16439 Ų3977%0.76620%0.202SC*.THydrogen-bonded Turntrans-66-27.9-178.3-67.8-177.7175.500113.7L60 P90 A92E58-L60 VanDerWaalsContact C-N 3.26Å; E58-L60 PolarHBondContact O-N 2.91Å; E58-P90 HydrophobicContact CG-CB 4.11Å; E58-A92 WeakPolarHBondContact O-CB 3.38Å
59N88Confident87Confident64 Ų6440.8 Ų40.834%0.34221%0.21SC..THydrogen-bonded Turntrans-87.49.8178.359.5-9.2000113.5L35 P57 A61 Q62 K63L35-N59 WeakPolarHBondContact CD1-OD1 3.39Å; P57-N59 VanDerWaalsContact C-N 3.3Å; P57-N59 PolarHBondContact O-N 3.28Å; N59-A61 VanDerWaalsContact C-N 3.33Å; N59-A61 PolarHBondContact O-N 3.25Å; N59-Q62 PolarHBondContact O-N 3.33Å; N59-K63 WeakPolarHBondContact O-CG 3.38Å; N59-K63 PolarHBondContact O-N 2.79Å; N59-K63 VanDerWaalsContact O-N 3.11Å
60L87.6Confident87Confident0 Ų039.5 Ų39.50%020%0.204CC..Hα-helixtrans-56.5-45.8-178.4-171.7130.4000112.1F30 P57 E58 Q62 K63 L64 L67 I93 L96F30-L60 HydrophobicContact CD2-CD1 4.3Å; F30-L60 HydrophobicContact CE1-CD1 4.43Å; F30-L60 HydrophobicContact CE2-CD1 3.51Å; F30-L60 HydrophobicContact CZ-CD1 3.59Å; P57-L60 HydrophobicContact CG-CB 4.11Å; P57-L60 HydrophobicContact CG-CD1 4.1Å; P57-L60 WeakPolarHBondContact O-CB 3.48Å; P57-L60 PolarHBondContact O-N 2.79Å; E58-L60 VanDerWaalsContact C-N 3.26Å; E58-L60 PolarHBondContact O-N 2.91Å; L60-Q62 VanDerWaalsContact C-N 3.34Å; L60-Q62 PolarHBondContact O-N 2.93Å; L60-K63 PolarHBondContact O-N 2.93Å; L60-L64 HydrophobicContact CD1-CD1 4.46Å; L60-L64 HydrophobicContact CG-CD1 4.2Å; L60-L64 WeakPolarHBondContact O-CB 3.44Å; L60-L64 PolarHBondContact O-N 3.35Å; L60-L67 HydrophobicContact CD2-CD2 4.47Å; L60-I93 HydrophobicContact CD2-CG1 4.32Å; L60-L96 HydrophobicContact CD2-CD1 3.83Å
61A85.7Confident86.7Confident10 Ų1037.8 Ų37.88%0.08320%0.2CC..Hα-helixtrans-67.8-33.2-178.200000113.8N59 P65 A92 L96N59-A61 VanDerWaalsContact C-N 3.33Å; N59-A61 PolarHBondContact O-N 3.25Å; A61-P65 WeakPolarHBondContact O-CA 3.33Å; A61-A92 HydrophobicContact CB-CB 4.49Å; A61-A92 WeakPolarHBondContact CB-O 3.44Å; A61-L96 HydrophobicContact CB-CD2 3.86Å; A61-L96 HydrophobicContact CB-CG 3.75Å
62Q87.9Confident85.7Confident140 Ų14038.1 Ų38.165%0.65420%0.204SC*.Hα-helixtrans-70.3-36.5176.2-169.2-17323.300111.8N59 L60N59-Q62 PolarHBondContact O-N 3.33Å; L60-Q62 VanDerWaalsContact C-N 3.34Å; L60-Q62 PolarHBondContact O-N 2.93Å
63K89.8Confident84.3Confident46 Ų4638.2 Ų38.220%0.220%0.202CC..Hα-helixtrans-91.1-22.2-174-63.5-63.6-175.1-177.10113.9L35 D37 L40 N59 L60L35-K63 HydrophobicContact CB-CB 4.33Å; L35-K63 HydrophobicContact CB-CG 4.03Å; L35-K63 HydrophobicContact CD2-CB 3.79Å; L35-K63 HydrophobicContact CD2-CG 4.23Å; L35-K63 VanDerWaalsContact O-CD 3.27Å; L35-K63 WeakPolarHBondContact O-CD 3.35Å; L35-K63 WeakPolarHBondContact O-CE 3.2Å; D37-K63 PolarHBondContact O-NZ 3.17Å; L40-K63 PolarHBondContact N-O 2.84Å; N59-K63 WeakPolarHBondContact O-CG 3.38Å; N59-K63 PolarHBondContact O-N 2.79Å; N59-K63 VanDerWaalsContact O-N 3.11Å; L60-K63 PolarHBondContact O-N 2.93Å
64L90.1Very high82.3Confident0 Ų046.4 Ų46.40%024%0.238CC..  trans-124.456.9176.2-55.6177000110.4L40 L43 L46 L60 N66 L67 L96L40-L64 HydrophobicContact CB-CD2 3.73Å; L40-L64 HydrophobicContact CD1-CD2 4.35Å; L43-L64 HydrophobicContact CB-CD2 4.39Å; L43-L64 HydrophobicContact CD2-CD1 4.42Å; L43-L64 HydrophobicContact CD2-CD2 3.96Å; L46-L64 HydrophobicContact CD2-CD1 4.08Å; L60-L64 HydrophobicContact CD1-CD1 4.46Å; L60-L64 HydrophobicContact CG-CD1 4.2Å; L60-L64 WeakPolarHBondContact O-CB 3.44Å; L60-L64 PolarHBondContact O-N 3.35Å; L64-N66 PolarHBondContact O-N 2.96Å; L64-N66 VanDerWaalsContact O-N 3.11Å; L64-L67 HydrophobicContact CB-CB 4.32Å; L64-L67 WeakPolarHBondContact O-CB 3.4Å; L64-L67 PolarHBondContact O-N 3.01Å; L64-L67 VanDerWaalsContact O-N 3.15Å; L64-L96 WeakPolarHBondContact O-CD2 3.2Å
65P89.1Confident80.6Confident41 Ų4145.6 Ų45.627%0.26624%0.235SC..THydrogen-bonded Turntrans-68.5-15.7-171.129.6-36.6000113.6A61A61-P65 WeakPolarHBondContact O-CA 3.33Å
66N91.2Very high78.8Confident45 Ų4547 Ų4724%0.24125%0.248CC..THydrogen-bonded Turntrans-98.59.1179.9-69.6-62.8000113.7Q41 L43 E44 L64 V68 K98Q41-N66 PolarHBondContact O-ND2 3.45Å; L43-N66 CarbonylContact O-C 3.58Å; L43-N66 VanDerWaalsContact O-C 3.24Å; E44-N66 WeakPolarHBondContact CA-O 3.22Å; L64-N66 PolarHBondContact O-N 2.96Å; L64-N66 VanDerWaalsContact O-N 3.11Å; N66-V68 PolarHBondContact O-N 3.06Å; N66-K98 WeakPolarHBondContact OD1-CE 3.25Å; N66-K98 PolarHBondContact OD1-NZ 3.45Å
67L90.8Very high77.1Confident0 Ų053.3 Ų53.30%028%0.281CS..  trans-65.9120.8-179.9-152.874.1000110.4L43 L46 L60 L64 L70 L96 K98 L99L43-L67 HydrophobicContact CD2-CD1 4.09Å; L43-L67 HydrophobicContact CG-CD1 4.16Å; L43-L67 PolarHBondContact O-N 3.14Å; L46-L67 HydrophobicContact CB-CD1 3.84Å; L60-L67 HydrophobicContact CD2-CD2 4.47Å; L64-L67 HydrophobicContact CB-CB 4.32Å; L64-L67 WeakPolarHBondContact O-CB 3.4Å; L64-L67 PolarHBondContact O-N 3.01Å; L64-L67 VanDerWaalsContact O-N 3.15Å; L67-L70 HydrophobicContact CD2-CB 3.88Å; L67-L70 HydrophobicContact CD2-CD1 4.3Å; L67-L70 HydrophobicContact CD2-CG 4.46Å; L67-L96 HydrophobicContact CB-CD2 4.14Å; L67-L96 HydrophobicContact CD2-CD1 4.46Å; L67-K98 CarbonylContact O-C 3.18Å; L67-L99 HydrophobicContact CD2-CD1 4.41Å; L67-L99 HydrophobicContact CG-CD1 4.5Å; L67-L99 WeakPolarHBondContact O-CA 3.49Å; L67-L99 PolarHBondContact O-N 2.9Å
68V90.5Very high75.1Confident20 Ų2055.3 Ų55.312%0.12131%0.305CS..  trans-100.3-37.6177.5-1760000110.4E44 N66 K98 Q100 C101E44-V68 HydrophobicContact CB-CG2 4.15Å; E44-V68 HydrophobicContact CG-CG2 4.37Å; E44-V68 WeakPolarHBondContact O-CA 3.19Å; E44-V68 PolarHBondContact O-N 3.41Å; N66-V68 PolarHBondContact O-N 3.06Å; V68-K98 WeakPolarHBondContact CA-O 3.17Å; V68-Q100 HydrophobicContact CG1-CB 4.09Å; V68-Q100 HydrophobicContact CG1-CG 3.97Å; V68-Q100 PolarHBondContact O-N 2.99Å; V68-C101 PolarHBondContact O-N 2.9Å; V68-C101 VanDerWaalsContact O-N 3.16Å
69E87.1Confident73.2Confident43 Ų4358.6 Ų58.620%0.20131%0.311CS..EExtended strand (participates in β ladder)trans-132.8123.4-178.8-59.8170.7-148.300110.6E44 R45 L46 L71 C101E44-E69 PolarHBondContact O-N 2.79Å; R45-E69 WeakPolarHBondContact CA-O 3.27Å; R45-E69 HydrophobicContact CB-CB 4.33Å; R45-E69 WeakPolarHBondContact CD-OE2 3.48Å; R45-E69 HydrophobicContact CG-CB 4Å; R45-E69 HydrophobicContact CG-CG 4.29Å; R45-E69 IonicContact CZ-OE1 2.86Å; R45-E69 VanDerWaalsContact NE-CD 3.28Å; R45-E69 IonicContact NE-OE1 3.45Å; R45-E69 PolarHBondContact NE-OE1 3.25Å; R45-E69 IonicContact NE-OE2 3.66Å; R45-E69 PolarHBondContact NE-OE2 3.23Å; R45-E69 IonicContact NH2-OE1 3.9Å; R45-E69 PolarHBondContact NH2-OE1 2.94Å; L46-E69 PolarHBondContact N-O 2.99Å; E69-L71 HydrophobicContact CB-CD1 4.15Å; E69-L71 HydrophobicContact CB-CG 4.15Å; E69-L71 WeakPolarHBondContact OE2-CD1 2.91Å; E69-C101 WeakPolarHBondContact CA-O 3.37Å; E69-C101 HydrophobicContact CB-CB 4.44Å; E69-C101 HydrophobicContact CG-CB 4.06Å
70L82.2Confident71.2Confident4 Ų464.8 Ų64.82%0.02133%0.33CS..EExtended strand (participates in β ladder)trans-114103.1166.3-17857.7000107.6L46 M48 L56 L67 L99 C101 L102 D103L46-L70 HydrophobicContact CB-CD1 3.97Å; L46-L70 HydrophobicContact CD2-CD1 3.99Å; L46-L70 HydrophobicContact CG-CD1 4.02Å; M48-L70 HydrophobicContact CE-CD1 3.84Å; L56-L70 HydrophobicContact CD1-CD2 4.19Å; L67-L70 HydrophobicContact CD2-CB 3.88Å; L67-L70 HydrophobicContact CD2-CD1 4.3Å; L67-L70 HydrophobicContact CD2-CG 4.46Å; L70-L99 HydrophobicContact CB-CD1 4.19Å; L70-C101 PolarHBondContact N-O 3.41Å; L70-L102 HydrophobicContact CB-CD1 3.81Å; L70-L102 HydrophobicContact CD2-CD1 3.65Å; L70-L102 HydrophobicContact CG-CD1 3.91Å; L70-D103 PolarHBondContact O-N 3.42Å
71L73.4Confident69.1Low36 Ų3667.6 Ų67.619%0.18835%0.345CS..EExtended strand (participates in β ladder)trans-110.4112.8-168.3-71.1171.9000111.9L46 Y47 E69 C101 D103L46-L71 PolarHBondContact O-N 2.94Å; Y47-L71 HydrophobicContact CD1-CB 3.75Å; Y47-L71 HydrophobicContact CD1-CD1 4.07Å; Y47-L71 HydrophobicContact CE1-CB 3.9Å; Y47-L71 HydrophobicContact CE1-CD1 3.3Å; Y47-L71 HydrophobicContact CE1-CG 4.19Å; E69-L71 HydrophobicContact CB-CD1 4.15Å; E69-L71 HydrophobicContact CB-CG 4.15Å; E69-L71 WeakPolarHBondContact OE2-CD1 2.91Å; L71-C101 VanDerWaalsContact CD2-SG 3.58Å; L71-D103 HydrophobicContact CD2-CB 3.74Å
72G64.9Low67.6Low7 Ų772.3 Ų72.37%0.07237%0.365CS..  trans-84.2-31.1174.200000114K49 D103K49-G72 WeakPolarHBondContact CB-O 3.24Å; K49-G72 WeakPolarHBondContact CG-O 2.98Å; G72-D103 WeakPolarHBondContact CA-O 3.36Å; G72-D103 PolarHBondContact N-O 2.93Å
73L55.6Low66.8Low23 Ų2366 Ų6612%0.1234%0.336CS..  trans-149.5147.3-164.8-60174.7000118.8S83 D103 S105 D106L73-S83 WeakPolarHBondContact CD2-OG 3.49Å; L73-D103 WeakPolarHBondContact CA-OD2 3.33Å; L73-D103 VanDerWaalsContact CB-OD2 3.29Å; L73-D103 WeakPolarHBondContact CB-OD2 3.1Å; L73-D103 PolarHBondContact N-OD2 2.8Å; L73-S105 WeakPolarHBondContact CD1-O 3.5Å; L73-S105 WeakPolarHBondContact CG-O 3.25Å; L73-D106 HydrophobicContact CD1-CB 3.81Å; L73-D106 WeakPolarHBondContact CD1-OD2 3.35Å; L73-D106 HydrophobicContact CD2-CB 3.84Å; L73-D106 WeakPolarHBondContact CD2-OD2 3.38Å; L73-D106 HydrophobicContact CG-CB 4.42Å
74F45.1Very low66.2Low172 Ų17264.1 Ų64.175%0.75433%0.329SS*.  -153.4101.3126.9-128.6-90.5000104.9K49K49-F74 PolarHBondContact NZ-O 3.09Å
75S49Very low65.9Low41 Ų4167.8 Ų67.829%0.28735%0.348SS..  trans-101.277.1175.4-162.70000109.2L77S75-L77 PolarHBondContact O-N 3.03Å
76S46.8Very low65.6Low102 Ų10266 Ų6671%0.71334%0.337SS*.  trans-75.40.4-178.4-169.60000114.2
77L49.9Very low65.2Low143 Ų14366.2 Ų66.275%0.74934%0.339SS*.SBendtrans-144104.5-170.6-83.4156.7000112.5S75 L81S75-L77 PolarHBondContact O-N 3.03Å; L77-L81 WeakPolarHBondContact O-CD1 3.45Å
78G47Very low64.8Low61 Ų6168.9 Ų68.963%0.62936%0.355SS*.  trans79.794.9138.600000118.5Y80G78-Y80 VanDerWaalsContact C-N 3.32Å; G78-Y80 PolarHBondContact O-N 2.84Å
79W45.1Very low64.4Low233 Ų23368.3 Ų68.388%0.88335%0.352SS*.SBendtrans54.2-12134.2-137.4-88.2000123
80Y46.1Very low64.2Low193 Ų19366.9 Ų66.976%0.75735%0.347SS*.  trans-145.622-179.3-71.1-75.3000115G78G78-Y80 VanDerWaalsContact C-N 3.32Å; G78-Y80 PolarHBondContact O-N 2.84Å
81L44.8Very low64.3Low60 Ų6074 Ų7431%0.31438%0.38SS..  trans-10490.1-175.1-56.7-175.8000109.7R50 L77 S83R50-L81 VanDerWaalsContact CZ-CD2 3.4Å; L77-L81 WeakPolarHBondContact O-CD1 3.45Å; L81-S83 PolarHBondContact O-N 3.23Å
82H52.3Low64.7Low108 Ų10873.3 Ų73.350%0.538%0.379SS..  trans-54.1124.316962.184.5000109.1
83S71.8Confident65.5Low7 Ų773.7 Ų73.75%0.04938%0.379CS..  trans-84.5-167166-80.30000108.6N51 L73 L81 D106N51-S83 CarbonylContact O-C 3.03Å; N51-S83 VanDerWaalsContact O-O 3.12Å; L73-S83 WeakPolarHBondContact CD2-OG 3.49Å; L81-S83 PolarHBondContact O-N 3.23Å; S83-D106 WeakPolarHBondContact CB-O 3.45Å; S83-D106 VanDerWaalsContact OG-CB 3.28Å; S83-D106 WeakPolarHBondContact OG-CB 3.33Å
84N77.6Confident66.8Low7 Ų776 Ų764%0.03741%0.409CS..  trans-66.7163.3174.5-76.5-62000110.1M48 N51 S52 L53 I86 N107M48-N84 PolarHBondContact O-ND2 3.37Å; N51-N84 WeakPolarHBondContact CA-OD1 3.28Å; N51-N84 WeakPolarHBondContact CB-OD1 3.45Å; N51-N84 WeakPolarHBondContact O-CA 3.41Å; N51-N84 PolarHBondContact O-OD1 3.11Å; S52-N84 PolarHBondContact N-OD1 2.75Å; L53-N84 HydrophobicContact CB-CB 4.16Å; L53-N84 VanDerWaalsContact CB-OD1 3.25Å; L53-N84 WeakPolarHBondContact CB-OD1 3.44Å; L53-N84 WeakPolarHBondContact CG-OD1 3.43Å; L53-N84 PolarHBondContact N-OD1 3.19Å; N84-I86 HydrophobicContact CB-CD1 4.16Å; N84-I86 HydrophobicContact CB-CG1 4.08Å; N84-N107 WeakPolarHBondContact CA-OD1 3.33Å; N84-N107 WeakPolarHBondContact CB-OD1 3.33Å; N84-N107 WeakPolarHBondContact O-CA 3.38Å; N84-N107 PolarHBondContact O-OD1 3.21Å; N84-N107 VanDerWaalsContact O-OD1 3.12Å
85N83.8Confident68.8Low77 Ų7771.8 Ų71.841%0.41240%0.401SS..  trans-10936.9179.1-64.2-38.3000110.4L53 T54 V87L53-N85 CarbonylContact O-C 3.22Å; L53-N85 VanDerWaalsContact O-CA 3.29Å; L53-N85 WeakPolarHBondContact O-CA 3.3Å; L53-N85 PolarHBondContact O-N 3.31Å; T54-N85 WeakPolarHBondContact CA-O 3.5Å; T54-N85 HydrophobicContact CG2-CB 4.45Å; N85-V87 WeakPolarHBondContact O-CG2 3.46Å; N85-V87 PolarHBondContact O-N 2.76Å; N85-V87 VanDerWaalsContact O-N 3.14Å
86I82.8Confident70.6Confident4 Ų470.3 Ų70.32%0.02139%0.39CS..  trans-66119.6-174.6-62164.2000108.1L53 T54 L56 N84 V88 V89 L104 N107 A108 L109L53-I86 HydrophobicContact CB-CG1 4.14Å; L53-I86 PolarHBondContact O-N 2.82Å; T54-I86 WeakPolarHBondContact O-CA 3.47Å; L56-I86 HydrophobicContact CD1-CD1 4.3Å; L56-I86 HydrophobicContact CD2-CD1 4.11Å; L56-I86 HydrophobicContact CG-CD1 4.04Å; N84-I86 HydrophobicContact CB-CD1 4.16Å; N84-I86 HydrophobicContact CB-CG1 4.08Å; I86-V88 WeakPolarHBondContact CG2-O 3.32Å; I86-V89 HydrophobicContact CG2-CG2 4.44Å; I86-L104 HydrophobicContact CD1-CD2 4.11Å; I86-N107 HydrophobicContact CB-CB 4.08Å; I86-N107 WeakPolarHBondContact CB-OD1 3.16Å; I86-N107 WeakPolarHBondContact CD1-OD1 3.38Å; I86-N107 VanDerWaalsContact CG1-OD1 3.24Å; I86-N107 WeakPolarHBondContact CG1-OD1 3.48Å; I86-N107 PolarHBondContact N-OD1 3.2Å; I86-A108 CarbonylContact O-C 3.54Å; I86-A108 PolarHBondContact O-N 2.86Å; I86-L109 HydrophobicContact CB-CD2 4.39Å; I86-L109 HydrophobicContact CG2-CD2 3.94Å; I86-L109 WeakPolarHBondContact O-CD2 3.28Å; I86-L109 PolarHBondContact O-N 3.47Å
87V83.6Confident72.5Confident49 Ų4971.9 Ų71.930%0.29740%0.395SS..  trans-96-34179.3-175.20000111.1T54 N85 A108 E110 I111T54-V87 PolarHBondContact O-N 3.41Å; N85-V87 WeakPolarHBondContact O-CG2 3.46Å; N85-V87 PolarHBondContact O-N 2.76Å; N85-V87 VanDerWaalsContact O-N 3.14Å; V87-A108 WeakPolarHBondContact CA-O 3.46Å; V87-A108 HydrophobicContact CG2-CB 4.33Å; V87-E110 HydrophobicContact CG1-CB 3.98Å; V87-E110 HydrophobicContact CG1-CG 4.21Å; V87-E110 PolarHBondContact O-N 3.1Å; V87-E110 VanDerWaalsContact O-N 3.11Å; V87-I111 PolarHBondContact O-N 3.1Å
88V81Confident74.4Confident56 Ų5669.9 Ų69.934%0.33938%0.38SS..EExtended strand (participates in β ladder)trans-129.5130.1-174.1-175.60000110.3I86 I111I86-V88 WeakPolarHBondContact CG2-O 3.32Å; V88-I111 HydrophobicContact CG2-CB 4.47Å
89V82.6Confident76.4Confident9 Ų968.9 Ų68.96%0.05536%0.36CS..EExtended strand (participates in β ladder)trans-102.5120.1171-175.40000107.9I86 I93 L104 L109 I111 C113I86-V89 HydrophobicContact CG2-CG2 4.44Å; V89-I93 HydrophobicContact CG1-CB 4.21Å; V89-I93 HydrophobicContact CG1-CD1 3.42Å; V89-I93 VanDerWaalsContact CG1-CD1 3.42Å; V89-I93 HydrophobicContact CG1-CG1 4.33Å; V89-I93 HydrophobicContact CG1-CG2 4.36Å; V89-L104 HydrophobicContact CB-CD1 4.48Å; V89-L104 HydrophobicContact CG1-CD1 4.15Å; V89-L104 HydrophobicContact CG2-CD1 3.43Å; V89-L104 VanDerWaalsContact CG2-CD1 3.43Å; V89-L109 HydrophobicContact CG2-CD2 3.45Å; V89-L109 VanDerWaalsContact CG2-CD2 3.45Å; V89-I111 PolarHBondContact N-O 3.22Å; V89-C113 PolarHBondContact O-SG 3.29Å
90P83.3Confident78.5Confident13 Ų1365.7 Ų65.78%0.08436%0.355CS..  trans-67.8144.4-178.628.2-35.2000111.5L56 E58 A92 I93L56-P90 HydrophobicContact CB-CG 4.03Å; E58-P90 HydrophobicContact CG-CB 4.11Å; P90-A92 PolarHBondContact O-N 3.18Å; P90-A92 VanDerWaalsContact O-N 3.08Å; P90-I93 HydrophobicContact CG-CD1 4.42Å; P90-I93 WeakPolarHBondContact O-CB 3.34Å; P90-I93 PolarHBondContact O-N 3.48Å
91E83.5Confident80.4Confident152 Ų15259 Ų5971%0.7134%0.335SS*.G310 helixtrans-54.3-30.5176.5-171.7-176.4170.300112.3I93 G94 C113E91-I93 PolarHBondContact O-N 2.86Å; E91-G94 WeakPolarHBondContact O-CA 3.16Å; E91-G94 PolarHBondContact O-N 3.04Å; E91-C113 HydrophobicContact CB-CB 4.15Å; E91-C113 PolarHBondContact N-SG 3.2Å; E91-C113 VanDerWaalsContact N-SG 3.42Å
92A81.6Confident82.4Confident22 Ų2259.3 Ų59.318%0.18234%0.337CS..G310 helixtrans-54.9-25.6176.300000113.9E58 A61 P90 G94 S95E58-A92 WeakPolarHBondContact O-CB 3.38Å; A61-A92 HydrophobicContact CB-CB 4.49Å; A61-A92 WeakPolarHBondContact CB-O 3.44Å; P90-A92 PolarHBondContact O-N 3.18Å; P90-A92 VanDerWaalsContact O-N 3.08Å; A92-G94 PolarHBondContact O-N 3.12Å; A92-S95 WeakPolarHBondContact O-CA 3.29Å; A92-S95 VanDerWaalsContact O-CB 3.25Å; A92-S95 WeakPolarHBondContact O-CB 3.43Å; A92-S95 PolarHBondContact O-N 3.4Å
93I83.3Confident83.8Confident15 Ų1555.4 Ų55.48%0.07732%0.32CS..G310 helixtrans-58.4-32.3172.1-86.3171.7000111.8L56 L60 V89 P90 E91 S95 L96 L99 L102L56-I93 HydrophobicContact CD1-CD1 3.52Å; L60-I93 HydrophobicContact CD2-CG1 4.32Å; V89-I93 HydrophobicContact CG1-CB 4.21Å; V89-I93 HydrophobicContact CG1-CD1 3.42Å; V89-I93 VanDerWaalsContact CG1-CD1 3.42Å; V89-I93 HydrophobicContact CG1-CG1 4.33Å; V89-I93 HydrophobicContact CG1-CG2 4.36Å; P90-I93 HydrophobicContact CG-CD1 4.42Å; P90-I93 WeakPolarHBondContact O-CB 3.34Å; P90-I93 PolarHBondContact O-N 3.48Å; E91-I93 PolarHBondContact O-N 2.86Å; I93-S95 PolarHBondContact O-N 3.35Å; I93-L96 HydrophobicContact CG1-CD1 4.29Å; I93-L96 WeakPolarHBondContact O-CB 3.41Å; I93-L96 PolarHBondContact O-N 3.42Å; I93-L96 VanDerWaalsContact O-N 3.07Å; I93-L99 HydrophobicContact CG2-CD2 4.21Å; I93-L102 HydrophobicContact CG2-CD2 3.65Å
94G81.5Confident84.2Confident71 Ų7156 Ų5673%0.73232%0.323SS*.G310 helixtrans-63.8-18.4172.700000113.9E91 A92 L96E91-G94 WeakPolarHBondContact O-CA 3.16Å; E91-G94 PolarHBondContact O-N 3.04Å; A92-G94 PolarHBondContact O-N 3.12Å; G94-L96 VanDerWaalsContact C-N 3.31Å
95S86.8Confident84.1Confident85 Ų8559 Ų5959%0.59434%0.344SS*.G310 helixtrans-81.7-6.6174.5-58.20000113.5A92 I93 V97A92-S95 WeakPolarHBondContact O-CA 3.29Å; A92-S95 VanDerWaalsContact O-CB 3.25Å; A92-S95 WeakPolarHBondContact O-CB 3.43Å; A92-S95 PolarHBondContact O-N 3.4Å; I93-S95 PolarHBondContact O-N 3.35Å; S95-V97 VanDerWaalsContact C-N 3.32Å; S95-V97 PolarHBondContact O-N 2.9Å
96L87.8Confident83.8Confident9 Ų959.9 Ų59.95%0.04735%0.349CS..  trans-76.781.4174.7-69.2167.2000110.9L60 A61 L64 L67 I93 G94 K98 L99L60-L96 HydrophobicContact CD2-CD1 3.83Å; A61-L96 HydrophobicContact CB-CD2 3.86Å; A61-L96 HydrophobicContact CB-CG 3.75Å; L64-L96 WeakPolarHBondContact O-CD2 3.2Å; L67-L96 HydrophobicContact CB-CD2 4.14Å; L67-L96 HydrophobicContact CD2-CD1 4.46Å; I93-L96 HydrophobicContact CG1-CD1 4.29Å; I93-L96 WeakPolarHBondContact O-CB 3.41Å; I93-L96 PolarHBondContact O-N 3.42Å; I93-L96 VanDerWaalsContact O-N 3.07Å; G94-L96 VanDerWaalsContact C-N 3.31Å; L96-K98 PolarHBondContact O-N 3.49Å; L96-L99 HydrophobicContact CB-CB 3.71Å; L96-L99 HydrophobicContact CB-CD2 4.3Å; L96-L99 HydrophobicContact CD1-CB 4.46Å; L96-L99 HydrophobicContact CD1-CD1 4.31Å; L96-L99 HydrophobicContact CD1-CD2 3.86Å; L96-L99 HydrophobicContact CD1-CG 4.47Å; L96-L99 WeakPolarHBondContact O-CB 3.37Å; L96-L99 PolarHBondContact O-N 3.21Å
97V86.7Confident83.6Confident136 Ų13661 Ų6182%0.82436%0.355SS*.THydrogen-bonded Turntrans-60.7-18.3-177.2-61.30000114.9S95S95-V97 VanDerWaalsContact C-N 3.32Å; S95-V97 PolarHBondContact O-N 2.9Å
98K89.8Confident83.5Confident100 Ų10061.1 Ų61.144%0.43536%0.361SS..THydrogen-bonded Turntrans-98.9-6.8179.1-62.7-167.7-177.9178.50113.6N66 L67 V68 L96 Q100N66-K98 WeakPolarHBondContact OD1-CE 3.25Å; N66-K98 PolarHBondContact OD1-NZ 3.45Å; L67-K98 CarbonylContact O-C 3.18Å; V68-K98 WeakPolarHBondContact CA-O 3.17Å; L96-K98 PolarHBondContact O-N 3.49Å; K98-Q100 PolarHBondContact O-N 3.26Å
99L89.2Confident83.3Confident40 Ų4061.4 Ų61.421%0.20936%0.36CS..  trans-68.6117.6-176.9-166.871000109.3L67 L70 I93 L96 C101 L102L67-L99 HydrophobicContact CD2-CD1 4.41Å; L67-L99 HydrophobicContact CG-CD1 4.5Å; L67-L99 WeakPolarHBondContact O-CA 3.49Å; L67-L99 PolarHBondContact O-N 2.9Å; L70-L99 HydrophobicContact CB-CD1 4.19Å; I93-L99 HydrophobicContact CG2-CD2 4.21Å; L96-L99 HydrophobicContact CB-CB 3.71Å; L96-L99 HydrophobicContact CB-CD2 4.3Å; L96-L99 HydrophobicContact CD1-CB 4.46Å; L96-L99 HydrophobicContact CD1-CD1 4.31Å; L96-L99 HydrophobicContact CD1-CD2 3.86Å; L96-L99 HydrophobicContact CD1-CG 4.47Å; L96-L99 WeakPolarHBondContact O-CB 3.37Å; L96-L99 PolarHBondContact O-N 3.21Å; L99-C101 WeakPolarHBondContact CD1-O 3.36Å; L99-L102 HydrophobicContact CD2-CB 3.89Å; L99-L102 HydrophobicContact CD2-CD1 4.47Å; L99-L102 HydrophobicContact CD2-CD2 4.38Å; L99-L102 HydrophobicContact CD2-CG 4.48Å
100Q89.1Confident83Confident167 Ų16768.9 Ų68.978%0.7839%0.394SS*.  trans-103.6-29.2177.4-66.5177.318.300111.1V68 K98V68-Q100 HydrophobicContact CG1-CB 4.09Å; V68-Q100 HydrophobicContact CG1-CG 3.97Å; V68-Q100 PolarHBondContact O-N 2.99Å; K98-Q100 PolarHBondContact O-N 3.26Å
101C86.2Confident82.2Confident51 Ų5172.7 Ų72.735%0.34541%0.413SS..EExtended strand (participates in β ladder)trans-134.2120.2-179.8-166.80000110.6V68 E69 L70 L71 L99V68-C101 PolarHBondContact O-N 2.9Å; V68-C101 VanDerWaalsContact O-N 3.16Å; E69-C101 WeakPolarHBondContact CA-O 3.37Å; E69-C101 HydrophobicContact CB-CB 4.44Å; E69-C101 HydrophobicContact CG-CB 4.06Å; L70-C101 PolarHBondContact N-O 3.41Å; L71-C101 VanDerWaalsContact CD2-SG 3.58Å; L99-C101 WeakPolarHBondContact CD1-O 3.36Å
102L86.3Confident81.2Confident67 Ų6770.3 Ų70.335%0.35141%0.409SS..EExtended strand (participates in β ladder)trans-120.5102.6168.6178.460.3000107.7L70 I93 L99 L104L70-L102 HydrophobicContact CB-CD1 3.81Å; L70-L102 HydrophobicContact CD2-CD1 3.65Å; L70-L102 HydrophobicContact CG-CD1 3.91Å; I93-L102 HydrophobicContact CG2-CD2 3.65Å; L99-L102 HydrophobicContact CD2-CB 3.89Å; L99-L102 HydrophobicContact CD2-CD1 4.47Å; L99-L102 HydrophobicContact CD2-CD2 4.38Å; L99-L102 HydrophobicContact CD2-CG 4.48Å; L102-L104 HydrophobicContact CD1-CD1 3.92Å; L102-L104 HydrophobicContact CD1-CD2 4.04Å; L102-L104 HydrophobicContact CD1-CG 3.71Å; L102-L104 HydrophobicContact CD2-CD1 3.95Å; L102-L104 HydrophobicContact CD2-CG 4.44Å; L102-L104 HydrophobicContact CG-CD1 3.95Å; L102-L104 HydrophobicContact CG-CG 3.88Å
103D82.6Confident80.1Confident26 Ų2671.3 Ų71.314%0.13941%0.414CS..EExtended strand (participates in β ladder)trans-102109173.9179.36.6000109.2L70 L71 G72 L73 S105L70-D103 PolarHBondContact O-N 3.42Å; L71-D103 HydrophobicContact CD2-CB 3.74Å; G72-D103 WeakPolarHBondContact CA-O 3.36Å; G72-D103 PolarHBondContact N-O 2.93Å; L73-D103 WeakPolarHBondContact CA-OD2 3.33Å; L73-D103 VanDerWaalsContact CB-OD2 3.29Å; L73-D103 WeakPolarHBondContact CB-OD2 3.1Å; L73-D103 PolarHBondContact N-OD2 2.8Å; D103-S105 PolarHBondContact OD1-N 3.37Å; D103-S105 PolarHBondContact OD1-OG 2.93Å
104L78.6Confident78.2Confident21 Ų2179.8 Ų79.811%0.1147%0.47CS..  trans-120.922.2175.2-62.5175.8000111.5L56 I86 V89 L102 N107 L109L56-L104 HydrophobicContact CD1-CD2 4.28Å; I86-L104 HydrophobicContact CD1-CD2 4.11Å; V89-L104 HydrophobicContact CB-CD1 4.48Å; V89-L104 HydrophobicContact CG1-CD1 4.15Å; V89-L104 HydrophobicContact CG2-CD1 3.43Å; V89-L104 VanDerWaalsContact CG2-CD1 3.43Å; L102-L104 HydrophobicContact CD1-CD1 3.92Å; L102-L104 HydrophobicContact CD1-CD2 4.04Å; L102-L104 HydrophobicContact CD1-CG 3.71Å; L102-L104 HydrophobicContact CD2-CD1 3.95Å; L102-L104 HydrophobicContact CD2-CG 4.44Å; L102-L104 HydrophobicContact CG-CD1 3.95Å; L102-L104 HydrophobicContact CG-CG 3.88Å; L104-N107 WeakPolarHBondContact O-CB 3.38Å; L104-N107 PolarHBondContact O-ND2 2.69Å; L104-L109 HydrophobicContact CB-CD1 3.91Å
105S75.9Confident78Confident69 Ų6980.3 Ų80.348%0.48346%0.457SS..THydrogen-bonded Turntrans-62.4169178.6-10.60000110.1L73 D103 N107L73-S105 WeakPolarHBondContact CD1-O 3.5Å; L73-S105 WeakPolarHBondContact CG-O 3.25Å; D103-S105 PolarHBondContact OD1-N 3.37Å; D103-S105 PolarHBondContact OD1-OG 2.93Å; S105-N107 PolarHBondContact O-N 3.31Å; S105-N107 VanDerWaalsContact O-N 3.08Å; S105-N107 PolarHBondContact O-ND2 3.16Å; S105-N107 VanDerWaalsContact O-ND2 3.1Å
106D77Confident77.5Confident96 Ų9680 Ų8051%0.51345%0.45SS..THydrogen-bonded Turntrans49.132-174-53.1-35.3000113.9L73 S83L73-D106 HydrophobicContact CD1-CB 3.81Å; L73-D106 WeakPolarHBondContact CD1-OD2 3.35Å; L73-D106 HydrophobicContact CD2-CB 3.84Å; L73-D106 WeakPolarHBondContact CD2-OD2 3.38Å; L73-D106 HydrophobicContact CG-CB 4.42Å; S83-D106 WeakPolarHBondContact CB-O 3.45Å; S83-D106 VanDerWaalsContact OG-CB 3.28Å; S83-D106 WeakPolarHBondContact OG-CB 3.33Å
107N78.9Confident77Confident28 Ų2883.9 Ų83.915%0.1547%0.472CS..SBendtrans-106.9166.1166.1-77.1-87.4000109.9N84 I86 L104 S105 L109N84-N107 WeakPolarHBondContact CA-OD1 3.33Å; N84-N107 WeakPolarHBondContact CB-OD1 3.33Å; N84-N107 WeakPolarHBondContact O-CA 3.38Å; N84-N107 PolarHBondContact O-OD1 3.21Å; N84-N107 VanDerWaalsContact O-OD1 3.12Å; I86-N107 HydrophobicContact CB-CB 4.08Å; I86-N107 WeakPolarHBondContact CB-OD1 3.16Å; I86-N107 WeakPolarHBondContact CD1-OD1 3.38Å; I86-N107 VanDerWaalsContact CG1-OD1 3.24Å; I86-N107 WeakPolarHBondContact CG1-OD1 3.48Å; I86-N107 PolarHBondContact N-OD1 3.2Å; L104-N107 WeakPolarHBondContact O-CB 3.38Å; L104-N107 PolarHBondContact O-ND2 2.69Å; S105-N107 PolarHBondContact O-N 3.31Å; S105-N107 VanDerWaalsContact O-N 3.08Å; S105-N107 PolarHBondContact O-ND2 3.16Å; S105-N107 VanDerWaalsContact O-ND2 3.1Å; N107-L109 HydrophobicContact CB-CD1 4.47Å; N107-L109 HydrophobicContact CB-CD2 4.38Å; N107-L109 HydrophobicContact CB-CG 3.87Å; N107-L109 PolarHBondContact O-N 3.08Å
108A82.3Confident76.4Confident51 Ų5180.9 Ų80.942%0.42145%0.451SS..  trans-88.843.4177.400000111.7I86 V87 E110I86-A108 CarbonylContact O-C 3.54Å; I86-A108 PolarHBondContact O-N 2.86Å; V87-A108 WeakPolarHBondContact CA-O 3.46Å; V87-A108 HydrophobicContact CG2-CB 4.33Å; A108-E110 PolarHBondContact O-N 3.41Å
109L76.4Confident75.5Confident62 Ų6279.7 Ų79.733%0.32545%0.453SS..  trans-62.6106.4-172.7-67.4174.6000110.6I86 V89 L104 N107I86-L109 HydrophobicContact CB-CD2 4.39Å; I86-L109 HydrophobicContact CG2-CD2 3.94Å; I86-L109 WeakPolarHBondContact O-CD2 3.28Å; I86-L109 PolarHBondContact O-N 3.47Å; V89-L109 HydrophobicContact CG2-CD2 3.45Å; V89-L109 VanDerWaalsContact CG2-CD2 3.45Å; L104-L109 HydrophobicContact CB-CD1 3.91Å; N107-L109 HydrophobicContact CB-CD1 4.47Å; N107-L109 HydrophobicContact CB-CD2 4.38Å; N107-L109 HydrophobicContact CB-CG 3.87Å; N107-L109 PolarHBondContact O-N 3.08Å
110E75.9Confident74.6Confident165 Ų16582.3 Ų82.377%0.77147%0.469SS*.  trans-96.2-35.6171-76.3-173.7157.600111.1V87 A108V87-E110 HydrophobicContact CG1-CB 3.98Å; V87-E110 HydrophobicContact CG1-CG 4.21Å; V87-E110 PolarHBondContact O-N 3.1Å; V87-E110 VanDerWaalsContact O-N 3.11Å; A108-E110 PolarHBondContact O-N 3.41Å
111I66.4Low73.6Confident94 Ų9476.3 Ų76.348%0.48245%0.446SS..EExtended strand (participates in β ladder)trans-127.8106.7-176.7-57.1173.8000108.4V87 V88 V89V87-I111 PolarHBondContact O-N 3.1Å; V88-I111 HydrophobicContact CG2-CB 4.47Å; V89-I111 PolarHBondContact N-O 3.22Å
112V63Low72.6Confident102 Ų10278.2 Ų78.262%0.61845%0.454SS*.EExtended strand (participates in β ladder)trans-89.8123.5154-172.20000104.1
113C57.4Low71.5Confident42 Ų4279.2 Ų79.228%0.28446%0.463SS..  trans-46.3144.9177.4-750000110.9V89 E91V89-C113 PolarHBondContact O-SG 3.29Å; E91-C113 HydrophobicContact CB-CB 4.15Å; E91-C113 PolarHBondContact N-SG 3.2Å; E91-C113 VanDerWaalsContact N-SG 3.42Å
114P43.5Very low70.5Confident194 Ų19484 Ų84100%1.2649%0.492SS*.  trans-61.40-17826.1-34.4000113.9

Retrieved 114 of 114 residues in 143.6 ms (Link to these results)

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