A0A5K4F604_SCHMA Loading...

phenylalanine--tRNA ligase

AlphaFold DB , UniProt , Accession A0A5K4F604, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 497 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M59.6Low83.2Confident191 Ų19156.4 Ų56.494%0.94129%0.287SS*.  0120.10-104.6179-110.400106.9I3 L6M1-I3 VanDerWaalsContact C-N 3.32Å; M1-I3 PolarHBondContact O-N 3.22Å; M1-L6 HydrophobicContact CB-CD1 4.42Å; M1-L6 HydrophobicContact CG-CD1 4.24Å; M1-L6 HydrophobicContact SD-CD1 4.17Å
2D80.1Confident83.2Confident86 Ų8657.6 Ų57.646%0.4630%0.299SS..  trans-7591.3175.4-174.3-8.8000108.9Q4 N5 L6D2-Q4 PolarHBondContact O-N 3.41Å; D2-Q4 PolarHBondContact OD1-N 3.49Å; D2-N5 HydrophobicContact CB-CB 4.26Å; D2-N5 PolarHBondContact O-N 3.17Å; D2-N5 PolarHBondContact OD1-N 3.34Å; D2-N5 PolarHBondContact OD2-ND2 3.28Å; D2-L6 PolarHBondContact O-N 2.6Å; D2-L6 VanDerWaalsContact O-N 3.16Å
3I85.8Confident83Confident21 Ų2158.6 Ų58.611%0.10833%0.332CS..Hα-helixtrans-62.8-29.3-174.3-163.966.6000111.7M1 L6 I7 L26 I32 V33M1-I3 VanDerWaalsContact C-N 3.32Å; M1-I3 PolarHBondContact O-N 3.22Å; I3-L6 PolarHBondContact O-N 3.21Å; I3-I7 HydrophobicContact CG1-CD1 4.08Å; I3-I7 WeakPolarHBondContact O-CB 3.43Å; I3-I7 WeakPolarHBondContact O-CD1 3.37Å; I3-I7 WeakPolarHBondContact O-CG1 3.36Å; I3-I7 PolarHBondContact O-N 2.67Å; I3-L26 HydrophobicContact CD1-CD1 3.96Å; I3-I32 HydrophobicContact CB-CG2 4.41Å; I3-I32 HydrophobicContact CD1-CG2 4.37Å; I3-I32 HydrophobicContact CG1-CG2 4.17Å; I3-V33 HydrophobicContact CD1-CG2 4.26Å
4Q84.8Confident82.7Confident49 Ų4961.6 Ų61.623%0.22934%0.342CS..Hα-helixtrans-67-47.6-180-62.4177.814.800110.3D2 L6 I7 L8 S39 L40D2-Q4 PolarHBondContact O-N 3.41Å; D2-Q4 PolarHBondContact OD1-N 3.49Å; Q4-L6 VanDerWaalsContact C-N 3.32Å; Q4-L6 PolarHBondContact O-N 3.41Å; Q4-I7 PolarHBondContact O-N 3.27Å; Q4-L8 WeakPolarHBondContact O-CG 3.05Å; Q4-L8 PolarHBondContact O-N 2.98Å; Q4-S39 PolarHBondContact NE2-OG 2.98Å; Q4-L40 HydrophobicContact CB-CD1 4.47Å; Q4-L40 HydrophobicContact CB-CD2 4.17Å; Q4-L40 HydrophobicContact CB-CG 4.26Å; Q4-L40 HydrophobicContact CG-CG 4.35Å
5N84.3Confident82.5Confident71 Ų7163.3 Ų63.338%0.3836%0.36SS..Hα-helixtrans-62.5-39175.8-86.1-31.8000112.1D2 L8 L9D2-N5 HydrophobicContact CB-CB 4.26Å; D2-N5 PolarHBondContact O-N 3.17Å; D2-N5 PolarHBondContact OD1-N 3.34Å; D2-N5 PolarHBondContact OD2-ND2 3.28Å; N5-L8 PolarHBondContact O-N 3.33Å; N5-L9 WeakPolarHBondContact O-CB 3.34Å; N5-L9 WeakPolarHBondContact O-CG 3.12Å; N5-L9 PolarHBondContact O-N 3.12Å
6L86.4Confident82.8Confident54 Ų5467.7 Ų67.728%0.28337%0.37SS..Hα-helixtrans-63.9-42174.9-69.6174.1000112.5M1 D2 I3 Q4 L9 E10 L26M1-L6 HydrophobicContact CB-CD1 4.42Å; M1-L6 HydrophobicContact CG-CD1 4.24Å; M1-L6 HydrophobicContact SD-CD1 4.17Å; D2-L6 PolarHBondContact O-N 2.6Å; D2-L6 VanDerWaalsContact O-N 3.16Å; I3-L6 PolarHBondContact O-N 3.21Å; Q4-L6 VanDerWaalsContact C-N 3.32Å; Q4-L6 PolarHBondContact O-N 3.41Å; L6-L9 PolarHBondContact O-N 2.79Å; L6-E10 PolarHBondContact O-N 3.44Å; L6-L26 HydrophobicContact CD1-CD1 4.5Å; L6-L26 HydrophobicContact CD1-CD2 4.38Å
7I87.3Confident83.3Confident0 Ų064.3 Ų64.30%035%0.351CS..Hα-helixtrans-61.3-45.2175.3-72.2160.8000110.9I3 Q4 E10 L11 F17 L22 V33 I37 L40I3-I7 HydrophobicContact CG1-CD1 4.08Å; I3-I7 WeakPolarHBondContact O-CB 3.43Å; I3-I7 WeakPolarHBondContact O-CD1 3.37Å; I3-I7 WeakPolarHBondContact O-CG1 3.36Å; I3-I7 PolarHBondContact O-N 2.67Å; Q4-I7 PolarHBondContact O-N 3.27Å; I7-E10 PolarHBondContact O-N 3.46Å; I7-L11 HydrophobicContact CG2-CD1 4.35Å; I7-L11 PolarHBondContact O-N 3.33Å; I7-L11 VanDerWaalsContact O-N 3.07Å; I7-F17 HydrophobicContact CG1-CZ 4.42Å; I7-F17 HydrophobicContact CG2-CE1 3.94Å; I7-F17 HydrophobicContact CG2-CZ 3.74Å; I7-L22 HydrophobicContact CG1-CD2 3.97Å; I7-V33 HydrophobicContact CD1-CG1 4.4Å; I7-I37 HydrophobicContact CD1-CG1 3.96Å; I7-L40 HydrophobicContact CB-CD1 3.85Å; I7-L40 HydrophobicContact CD1-CD1 4.35Å; I7-L40 HydrophobicContact CG2-CD1 3.46Å; I7-L40 VanDerWaalsContact CG2-CD1 3.46Å
8L86.1Confident83.7Confident1 Ų163.1 Ų63.11%0.00534%0.342CS..Hα-helixtrans-66.5-38.6177.9-67.6176.2000112.1Q4 N5 L11 T12 L40 I46 I47 F177 I181Q4-L8 WeakPolarHBondContact O-CG 3.05Å; Q4-L8 PolarHBondContact O-N 2.98Å; N5-L8 PolarHBondContact O-N 3.33Å; L8-L11 PolarHBondContact O-N 2.84Å; L8-T12 PolarHBondContact O-N 3.04Å; L8-T12 PolarHBondContact O-OG1 3.48Å; L8-L40 HydrophobicContact CD1-CD2 3.92Å; L8-L40 HydrophobicContact CD2-CD1 4.11Å; L8-L40 HydrophobicContact CD2-CD2 4.08Å; L8-L40 HydrophobicContact CG-CD1 4.08Å; L8-L40 HydrophobicContact CG-CD2 4.02Å; L8-I46 HydrophobicContact CD2-CG2 3.72Å; L8-I47 HydrophobicContact CD2-CG2 4.3Å; L8-F177 HydrophobicContact CD2-CD2 4.34Å; L8-F177 HydrophobicContact CD2-CE2 3.72Å; L8-F177 HydrophobicContact CD2-CZ 4.47Å; L8-F177 WeakPolarHBondContact O-CZ 3.03Å; L8-I181 HydrophobicContact CD1-CD1 3.94Å; L8-I181 HydrophobicContact CD1-CG1 4Å
9L86.6Confident84.1Confident111 Ų11159.7 Ų59.758%0.58132%0.324SS*.Hα-helixtrans-63.5-42.7174.8-76.6166.4000111.8N5 L6 T12 G13N5-L9 WeakPolarHBondContact O-CB 3.34Å; N5-L9 WeakPolarHBondContact O-CG 3.12Å; N5-L9 PolarHBondContact O-N 3.12Å; L6-L9 PolarHBondContact O-N 2.79Å; L9-T12 WeakPolarHBondContact O-CA 3.2Å; L9-T12 WeakPolarHBondContact O-CB 3.36Å; L9-T12 PolarHBondContact O-N 3.06Å; L9-G13 PolarHBondContact O-N 3.19Å
10E87.3Confident84.4Confident36 Ų3658.1 Ų58.117%0.16832%0.315CS..Hα-helixtrans-62.5-44.4176.9-169.572.2-170.200111.3L6 I7 T12 G13 E14 F17 L22 K25L6-E10 PolarHBondContact O-N 3.44Å; I7-E10 PolarHBondContact O-N 3.46Å; E10-T12 PolarHBondContact O-N 3.01Å; E10-G13 PolarHBondContact O-N 3.18Å; E10-G13 VanDerWaalsContact O-N 3.12Å; E10-E14 PolarHBondContact O-N 3.06Å; E10-F17 HydrophobicContact CG-CD1 4.21Å; E10-F17 HydrophobicContact CG-CG 4.41Å; E10-L22 HydrophobicContact CB-CD1 4.28Å; E10-L22 HydrophobicContact CG-CD1 3.86Å; E10-K25 IonicContact OE1-NZ 2.84Å; E10-K25 PolarHBondContact OE1-NZ 3.21Å; E10-K25 IonicContact OE2-NZ 3.46Å; E10-K25 PolarHBondContact OE2-NZ 2.73Å
11L86.7Confident84.6Confident0 Ų062.1 Ų62.10%033%0.329CS..Hα-helixtrans-62.1-27.6172-71.9166.9000111.8I7 L8 G13 E14 F17 I47 V171 K173 F177I7-L11 HydrophobicContact CG2-CD1 4.35Å; I7-L11 PolarHBondContact O-N 3.33Å; I7-L11 VanDerWaalsContact O-N 3.07Å; L8-L11 PolarHBondContact O-N 2.84Å; L11-G13 PolarHBondContact O-N 3.21Å; L11-E14 CarbonylContact C-O 3.56Å; L11-F17 HydrophobicContact CD1-CE1 4.13Å; L11-F17 HydrophobicContact CD2-CD1 3.65Å; L11-F17 HydrophobicContact CD2-CE1 3.77Å; L11-F17 HydrophobicContact CG-CD1 3.9Å; L11-F17 HydrophobicContact CG-CE1 3.64Å; L11-I47 HydrophobicContact CD1-CG2 3.64Å; L11-V171 HydrophobicContact CD1-CG1 3.97Å; L11-V171 HydrophobicContact CD2-CG1 4.36Å; L11-K173 HydrophobicContact CB-CG 4.41Å; L11-K173 WeakPolarHBondContact O-CE 3.41Å; L11-K173 PolarHBondContact O-NZ 3.19Å; L11-F177 HydrophobicContact CB-CE2 3.57Å; L11-F177 HydrophobicContact CB-CZ 3.67Å; L11-F177 HydrophobicContact CD1-CD2 4.44Å; L11-F177 HydrophobicContact CD1-CE2 3.79Å; L11-F177 HydrophobicContact CG-CE2 4.32Å
12T83.9Confident86.1Confident71 Ų7153.2 Ų53.244%0.43629%0.286SS..Hα-helixtrans-63-37.8177.5-51.60000110.6L8 L9 E10L8-T12 PolarHBondContact O-N 3.04Å; L8-T12 PolarHBondContact O-OG1 3.48Å; L9-T12 WeakPolarHBondContact O-CA 3.2Å; L9-T12 WeakPolarHBondContact O-CB 3.36Å; L9-T12 PolarHBondContact O-N 3.06Å; E10-T12 PolarHBondContact O-N 3.01Å
13G80.7Confident86.5Confident71 Ų7149.4 Ų49.473%0.73227%0.266SS*.Hα-helixtrans-81.6-40.9177.800000115.2L9 E10 L11L9-G13 PolarHBondContact O-N 3.19Å; E10-G13 PolarHBondContact O-N 3.18Å; E10-G13 VanDerWaalsContact O-N 3.12Å; L11-G13 PolarHBondContact O-N 3.21Å
14E78.8Confident86.7Confident101 Ų10155.9 Ų55.947%0.47230%0.296SS..  trans-112.8151.6-176-63.6-165.9176.800112.9E10 L11 Y16E10-E14 PolarHBondContact O-N 3.06Å; L11-E14 CarbonylContact C-O 3.56Å; E14-Y16 VanDerWaalsContact C-N 3.32Å; E14-Y16 PolarHBondContact O-N 3.19Å
15S78.6Confident87Confident87 Ų8759.9 Ų59.961%0.60831%0.312SS*.SBendtrans-71.2-28.8178.959.10000113.1
16Y88.3Confident87.2Confident133 Ų13359 Ų5952%0.52231%0.308SS..EExtended strand (participates in β ladder)trans-157.3157.8175.167.2-90.2000109.5E14 L170 V171E14-Y16 VanDerWaalsContact C-N 3.32Å; E14-Y16 PolarHBondContact O-N 3.19Å; Y16-L170 HydrophobicContact CD2-CD1 3.5Å; Y16-L170 HydrophobicContact CE2-CD1 4.12Å; Y16-L170 HydrophobicContact CG-CD1 4.32Å; Y16-V171 CarbonylContact C-O 3.53Å; Y16-V171 WeakPolarHBondContact CA-O 3.38Å; Y16-V171 WeakPolarHBondContact CB-O 3.45Å
17F91Very high87.4Confident10 Ų1059.8 Ų59.84%0.04433%0.328CS..EExtended strand (participates in β ladder)trans-139.9158.9169.172.2-95.3000110.6I7 E10 L11 L22 I37 V171I7-F17 HydrophobicContact CG1-CZ 4.42Å; I7-F17 HydrophobicContact CG2-CE1 3.94Å; I7-F17 HydrophobicContact CG2-CZ 3.74Å; E10-F17 HydrophobicContact CG-CD1 4.21Å; E10-F17 HydrophobicContact CG-CG 4.41Å; L11-F17 HydrophobicContact CD1-CE1 4.13Å; L11-F17 HydrophobicContact CD2-CD1 3.65Å; L11-F17 HydrophobicContact CD2-CE1 3.77Å; L11-F17 HydrophobicContact CG-CD1 3.9Å; L11-F17 HydrophobicContact CG-CE1 3.64Å; F17-L22 HydrophobicContact CD2-CB 3.72Å; F17-L22 HydrophobicContact CD2-CD2 3.81Å; F17-L22 HydrophobicContact CD2-CG 4.34Å; F17-L22 HydrophobicContact CE1-CD2 4.26Å; F17-L22 HydrophobicContact CE2-CB 3.91Å; F17-L22 HydrophobicContact CE2-CD2 3.33Å; F17-L22 HydrophobicContact CE2-CG 4.24Å; F17-L22 HydrophobicContact CG-CD2 4.48Å; F17-L22 HydrophobicContact CZ-CD2 3.6Å; F17-I37 HydrophobicContact CE2-CD1 4.47Å; F17-V171 HydrophobicContact CD1-CB 4.27Å; F17-V171 HydrophobicContact CE1-CB 3.73Å; F17-V171 HydrophobicContact CE1-CG1 3.93Å; F17-V171 HydrophobicContact CE1-CG2 4.33Å; F17-V171 HydrophobicContact CE2-CB 4.09Å; F17-V171 HydrophobicContact CE2-CG2 3.9Å; F17-V171 HydrophobicContact CZ-CB 3.62Å; F17-V171 HydrophobicContact CZ-CG1 4Å; F17-V171 HydrophobicContact CZ-CG2 3.69Å; F17-V171 PolarHBondContact N-O 2.81Å; F17-V171 PolarHBondContact O-N 2.84Å
18K90.9Very high87.5Confident42 Ų4261.5 Ų61.518%0.18334%0.339CS..EExtended strand (participates in β ladder)trans-98.8131.8172.4-154.8-172169.6-157.90108.9D20 K21 L22 E54 S168K18-D20 VanDerWaalsContact C-N 3.28Å; K18-D20 VanDerWaalsContact CB-OD1 3.23Å; K18-D20 WeakPolarHBondContact CB-OD1 3.26Å; K18-D20 WeakPolarHBondContact CD-OD1 3.44Å; K18-D20 WeakPolarHBondContact CD-OD2 3.25Å; K18-D20 WeakPolarHBondContact CE-OD2 3.45Å; K18-D20 WeakPolarHBondContact CG-OD1 3.27Å; K18-D20 IonicContact NZ-OD2 3.32Å; K18-D20 PolarHBondContact NZ-OD2 3.14Å; K18-D20 PolarHBondContact O-N 3.41Å; K18-K21 HydrophobicContact CB-CD 4.42Å; K18-K21 HydrophobicContact CB-CG 4.37Å; K18-K21 PolarHBondContact O-N 3.19Å; K18-L22 PolarHBondContact O-N 2.66Å; K18-L22 VanDerWaalsContact O-N 3.08Å; K18-E54 IonicContact NZ-OE1 2.98Å; K18-E54 PolarHBondContact NZ-OE1 3.32Å; K18-S168 WeakPolarHBondContact CE-OG 3.45Å
19S91.4Very high87.6Confident0 Ų066.3 Ų66.30%037%0.365CS..Hα-helixtrans-60.8-32.6-170.159.40000114.8A23 H30 Y169S19-A23 WeakPolarHBondContact O-CB 3.22Å; S19-A23 PolarHBondContact O-N 3.41Å; S19-H30 WeakPolarHBondContact CB-NE2 3.17Å; S19-H30 PolarHBondContact O-CD2 2.8Å; S19-H30 PolarHBondContact OG-NE2 3.25Å; S19-Y169 PolarHBondContact N-O 3.03Å; S19-Y169 PolarHBondContact OG-N 3.42Å; S19-Y169 PolarHBondContact OG-O 2.74Å
20D89Confident87.8Confident27 Ų2762.4 Ų62.414%0.14434%0.343CS..Hα-helixtrans-66.4-47176.452.7-10000110.8K18 L22 A23 E24K18-D20 VanDerWaalsContact C-N 3.28Å; K18-D20 VanDerWaalsContact CB-OD1 3.23Å; K18-D20 WeakPolarHBondContact CB-OD1 3.26Å; K18-D20 WeakPolarHBondContact CD-OD1 3.44Å; K18-D20 WeakPolarHBondContact CD-OD2 3.25Å; K18-D20 WeakPolarHBondContact CE-OD2 3.45Å; K18-D20 WeakPolarHBondContact CG-OD1 3.27Å; K18-D20 IonicContact NZ-OD2 3.32Å; K18-D20 PolarHBondContact NZ-OD2 3.14Å; K18-D20 PolarHBondContact O-N 3.41Å; D20-L22 VanDerWaalsContact C-N 3.33Å; D20-L22 PolarHBondContact O-N 2.98Å; D20-A23 WeakPolarHBondContact O-CB 3.26Å; D20-A23 PolarHBondContact O-N 3.44Å; D20-E24 WeakPolarHBondContact O-CG 3.31Å; D20-E24 PolarHBondContact O-N 3.37Å
21K89.9Confident87.8Confident143 Ų14367 Ų6762%0.62237%0.365SS*.Hα-helixtrans-62.8-38175.3-66.4-172.3176.4-175.40112.6K18 E24 K25K18-K21 HydrophobicContact CB-CD 4.42Å; K18-K21 HydrophobicContact CB-CG 4.37Å; K18-K21 PolarHBondContact O-N 3.19Å; K21-E24 PolarHBondContact O-N 2.82Å; K21-K25 WeakPolarHBondContact O-CB 3.38Å; K21-K25 PolarHBondContact O-N 2.88Å
22L89.5Confident87.9Confident4 Ų471.4 Ų71.42%0.02139%0.387CS..Hα-helixtrans-67.6-41.1175.4-177.960000111.3I7 E10 F17 K18 D20 E24 K25 L26 V33I7-L22 HydrophobicContact CG1-CD2 3.97Å; E10-L22 HydrophobicContact CB-CD1 4.28Å; E10-L22 HydrophobicContact CG-CD1 3.86Å; F17-L22 HydrophobicContact CD2-CB 3.72Å; F17-L22 HydrophobicContact CD2-CD2 3.81Å; F17-L22 HydrophobicContact CD2-CG 4.34Å; F17-L22 HydrophobicContact CE1-CD2 4.26Å; F17-L22 HydrophobicContact CE2-CB 3.91Å; F17-L22 HydrophobicContact CE2-CD2 3.33Å; F17-L22 HydrophobicContact CE2-CG 4.24Å; F17-L22 HydrophobicContact CG-CD2 4.48Å; F17-L22 HydrophobicContact CZ-CD2 3.6Å; K18-L22 PolarHBondContact O-N 2.66Å; K18-L22 VanDerWaalsContact O-N 3.08Å; D20-L22 VanDerWaalsContact C-N 3.33Å; D20-L22 PolarHBondContact O-N 2.98Å; L22-E24 VanDerWaalsContact C-N 3.33Å; L22-E24 PolarHBondContact O-N 2.9Å; L22-K25 PolarHBondContact O-N 2.88Å; L22-L26 HydrophobicContact CD1-CD1 3.84Å; L22-L26 HydrophobicContact CD1-CG 3.94Å; L22-L26 HydrophobicContact CD2-CD1 4.41Å; L22-L26 HydrophobicContact CG-CD1 3.83Å; L22-L26 HydrophobicContact CG-CG 4.32Å; L22-L26 WeakPolarHBondContact O-CB 3.28Å; L22-L26 WeakPolarHBondContact O-CG 3.39Å; L22-L26 PolarHBondContact O-N 2.94Å; L22-V33 HydrophobicContact CD2-CG1 4.05Å; L22-V33 HydrophobicContact CG-CG1 4.49Å
23A90.2Very high88.3Confident6 Ų668 Ų685%0.0537%0.367CS..Hα-helixtrans-60.2-43.9175.400000111.5S19 D20 L26 G27 V28 H30 V33S19-A23 WeakPolarHBondContact O-CB 3.22Å; S19-A23 PolarHBondContact O-N 3.41Å; D20-A23 WeakPolarHBondContact O-CB 3.26Å; D20-A23 PolarHBondContact O-N 3.44Å; A23-L26 PolarHBondContact O-N 3.05Å; A23-G27 PolarHBondContact O-N 3.26Å; A23-V28 PolarHBondContact O-N 3.47Å; A23-H30 HydrophobicContact CB-CB 4.04Å; A23-V33 HydrophobicContact CB-CG2 3.83Å
24E90Very high88.7Confident156 Ų15665 Ų6573%0.72933%0.334SS*.Hα-helixtrans-60.7-47.2173.3-73.1176.9-179.200112.1D20 K21 L22 L26 G27D20-E24 WeakPolarHBondContact O-CG 3.31Å; D20-E24 PolarHBondContact O-N 3.37Å; K21-E24 PolarHBondContact O-N 2.82Å; L22-E24 VanDerWaalsContact C-N 3.33Å; L22-E24 PolarHBondContact O-N 2.9Å; E24-L26 VanDerWaalsContact C-N 3.32Å; E24-L26 PolarHBondContact O-N 3.19Å; E24-G27 PolarHBondContact O-N 3.2Å
25K90Very high89.1Confident134 Ų13462.2 Ų62.258%0.58333%0.332SS*.Hα-helixtrans-61.8-38.3179.3-173-174.5-177.3-170.40112.6E10 K21 L22E10-K25 IonicContact OE1-NZ 2.84Å; E10-K25 PolarHBondContact OE1-NZ 3.21Å; E10-K25 IonicContact OE2-NZ 3.46Å; E10-K25 PolarHBondContact OE2-NZ 2.73Å; K21-K25 WeakPolarHBondContact O-CB 3.38Å; K21-K25 PolarHBondContact O-N 2.88Å; L22-K25 PolarHBondContact O-N 2.88Å
26L89Confident89.6Confident53 Ų5358.2 Ų58.228%0.27731%0.305SS..Hα-helixtrans-84.3-11.9179.3-68.3176.5000113.1I3 L6 L22 A23 E24 V28I3-L26 HydrophobicContact CD1-CD1 3.96Å; L6-L26 HydrophobicContact CD1-CD1 4.5Å; L6-L26 HydrophobicContact CD1-CD2 4.38Å; L22-L26 HydrophobicContact CD1-CD1 3.84Å; L22-L26 HydrophobicContact CD1-CG 3.94Å; L22-L26 HydrophobicContact CD2-CD1 4.41Å; L22-L26 HydrophobicContact CG-CD1 3.83Å; L22-L26 HydrophobicContact CG-CG 4.32Å; L22-L26 WeakPolarHBondContact O-CB 3.28Å; L22-L26 WeakPolarHBondContact O-CG 3.39Å; L22-L26 PolarHBondContact O-N 2.94Å; A23-L26 PolarHBondContact O-N 3.05Å; E24-L26 VanDerWaalsContact C-N 3.32Å; E24-L26 PolarHBondContact O-N 3.19Å; L26-V28 VanDerWaalsContact C-N 3.29Å; L26-V28 HydrophobicContact CB-CG1 4.32Å; L26-V28 HydrophobicContact CB-CG2 3.83Å; L26-V28 HydrophobicContact CD1-CG2 4.44Å; L26-V28 PolarHBondContact O-N 3.45Å
27G89.3Confident89.7Confident70 Ų7052 Ų5272%0.72228%0.28SS*.THydrogen-bonded Turntrans63.632.8-174.900000113.3A23 E24A23-G27 PolarHBondContact O-N 3.26Å; E24-G27 PolarHBondContact O-N 3.2Å
28V89.7Confident89.4Confident36 Ų3656.5 Ų56.522%0.21830%0.3CS..SBendtrans-117.1156.7-178.9-62.50000111.2A23 L26 H30 V33A23-V28 PolarHBondContact O-N 3.47Å; L26-V28 VanDerWaalsContact C-N 3.29Å; L26-V28 HydrophobicContact CB-CG1 4.32Å; L26-V28 HydrophobicContact CB-CG2 3.83Å; L26-V28 HydrophobicContact CD1-CG2 4.44Å; L26-V28 PolarHBondContact O-N 3.45Å; V28-H30 PolarHBondContact O-N 3.11Å; V28-V33 HydrophobicContact CG2-CG2 3.76Å
29D89.3Confident89.1Confident102 Ų10256.2 Ų56.255%0.54530%0.303SS..  trans-59.2134.1173-171.1-70000110.6Q31 I32D29-Q31 PolarHBondContact O-N 2.63Å; D29-Q31 VanDerWaalsContact O-N 3.15Å; D29-Q31 WeakPolarHBondContact OD1-CB 3.38Å; D29-Q31 WeakPolarHBondContact OD1-CG 3.49Å; D29-Q31 PolarHBondContact OD1-N 3.1Å; D29-I32 HydrophobicContact CB-CD1 4.21Å; D29-I32 HydrophobicContact CB-CG1 4.27Å; D29-I32 WeakPolarHBondContact O-CB 3.43Å; D29-I32 PolarHBondContact O-N 2.83Å
30H89.7Confident88.8Confident28 Ų2856.2 Ų56.213%0.1330%0.303CS..Hα-helixtrans-56-32.4-177.9177.4-126.6000112.8S19 A23 V28 I32 V33 V34 T167S19-H30 WeakPolarHBondContact CB-NE2 3.17Å; S19-H30 PolarHBondContact O-CD2 2.8Å; S19-H30 PolarHBondContact OG-NE2 3.25Å; A23-H30 HydrophobicContact CB-CB 4.04Å; V28-H30 PolarHBondContact O-N 3.11Å; H30-I32 PolarHBondContact O-N 3.04Å; H30-V33 PolarHBondContact O-N 3.02Å; H30-V34 WeakPolarHBondContact O-CG2 3.41Å; H30-V34 PolarHBondContact O-N 3.25Å; H30-T167 PolarHBondContact CE1-O 3.08Å
31Q89Confident88.6Confident134 Ų13459.8 Ų59.863%0.62632%0.319SS*.Hα-helixtrans-62.2-30.2176.9-64.8-60.8-4200113.1D29 V34 G35D29-Q31 PolarHBondContact O-N 2.63Å; D29-Q31 VanDerWaalsContact O-N 3.15Å; D29-Q31 WeakPolarHBondContact OD1-CB 3.38Å; D29-Q31 WeakPolarHBondContact OD1-CG 3.49Å; D29-Q31 PolarHBondContact OD1-N 3.1Å; Q31-V34 PolarHBondContact O-N 2.91Å; Q31-G35 PolarHBondContact O-N 3.02Å
32I88.9Confident87.9Confident92 Ų9259.4 Ų59.447%0.47232%0.324SS..Hα-helixtrans-68.3-43.5177.7-59.3176.3000109.8I3 D29 H30 G35 G36I3-I32 HydrophobicContact CB-CG2 4.41Å; I3-I32 HydrophobicContact CD1-CG2 4.37Å; I3-I32 HydrophobicContact CG1-CG2 4.17Å; D29-I32 HydrophobicContact CB-CD1 4.21Å; D29-I32 HydrophobicContact CB-CG1 4.27Å; D29-I32 WeakPolarHBondContact O-CB 3.43Å; D29-I32 PolarHBondContact O-N 2.83Å; H30-I32 PolarHBondContact O-N 3.04Å; I32-G35 PolarHBondContact O-N 2.79Å; I32-G36 PolarHBondContact O-N 3.29Å
33V91Very high87.3Confident0 Ų062.9 Ų62.90%034%0.337CS..Hα-helixtrans-63.5-45.3175.7-1780000110.3I3 I7 L22 A23 V28 H30 G35 G36 I37I3-V33 HydrophobicContact CD1-CG2 4.26Å; I7-V33 HydrophobicContact CD1-CG1 4.4Å; L22-V33 HydrophobicContact CD2-CG1 4.05Å; L22-V33 HydrophobicContact CG-CG1 4.49Å; A23-V33 HydrophobicContact CB-CG2 3.83Å; V28-V33 HydrophobicContact CG2-CG2 3.76Å; H30-V33 PolarHBondContact O-N 3.02Å; V33-G35 VanDerWaalsContact C-N 3.33Å; V33-G35 PolarHBondContact O-N 3.03Å; V33-G36 PolarHBondContact O-N 2.87Å; V33-G36 VanDerWaalsContact O-N 3.13Å; V33-I37 HydrophobicContact CG1-CD1 3.91Å; V33-I37 HydrophobicContact CG1-CG1 4.41Å; V33-I37 WeakPolarHBondContact O-CG1 3.02Å; V33-I37 PolarHBondContact O-N 3.17Å
34V90.5Very high86.3Confident8 Ų867.1 Ų67.15%0.04837%0.366CS..Hα-helixtrans-58.9-43.2176.3173.50000111.7H30 Q31 G36 I37 K38 Y169H30-V34 WeakPolarHBondContact O-CG2 3.41Å; H30-V34 PolarHBondContact O-N 3.25Å; Q31-V34 PolarHBondContact O-N 2.91Å; V34-G36 VanDerWaalsContact C-N 3.31Å; V34-G36 PolarHBondContact O-N 3.45Å; V34-I37 PolarHBondContact O-N 3.23Å; V34-K38 HydrophobicContact CG1-CD 4.38Å; V34-K38 WeakPolarHBondContact O-CG 3.1Å; V34-K38 PolarHBondContact O-N 3.2Å; V34-Y169 HydrophobicContact CB-CE2 4.22Å; V34-Y169 HydrophobicContact CG1-CD2 4.27Å; V34-Y169 HydrophobicContact CG1-CE2 3.54Å; V34-Y169 HydrophobicContact CG2-CD2 3.78Å; V34-Y169 HydrophobicContact CG2-CE2 3.68Å
35G86.9Confident85.6Confident42 Ų4260.9 Ų60.943%0.43334%0.344SS..Hα-helixtrans-60.1-40.7175.200000112.7Q31 I32 V33 S39Q31-G35 PolarHBondContact O-N 3.02Å; I32-G35 PolarHBondContact O-N 2.79Å; V33-G35 VanDerWaalsContact C-N 3.33Å; V33-G35 PolarHBondContact O-N 3.03Å; G35-S39 PolarHBondContact O-N 2.84Å; G35-S39 VanDerWaalsContact O-N 3.16Å
36G88.7Confident85.3Confident3 Ų355.2 Ų55.23%0.03132%0.32CS..Hα-helixtrans-62.7-46.8173.600000113.2I32 V33 V34 S39 L40I32-G36 PolarHBondContact O-N 3.29Å; V33-G36 PolarHBondContact O-N 2.87Å; V33-G36 VanDerWaalsContact O-N 3.13Å; V34-G36 VanDerWaalsContact C-N 3.31Å; V34-G36 PolarHBondContact O-N 3.45Å; G36-S39 WeakPolarHBondContact O-CB 3.34Å; G36-S39 PolarHBondContact O-N 3.43Å; G36-L40 PolarHBondContact O-N 2.9Å
37I89.1Confident85.2Confident1 Ų153.2 Ų53.21%0.00531%0.309CS..Hα-helixtrans-58.7-50.2178.2-68.5166.6000110.6I7 F17 V33 V34 S39 L40 E41 I47 C49 V171I7-I37 HydrophobicContact CD1-CG1 3.96Å; F17-I37 HydrophobicContact CE2-CD1 4.47Å; V33-I37 HydrophobicContact CG1-CD1 3.91Å; V33-I37 HydrophobicContact CG1-CG1 4.41Å; V33-I37 WeakPolarHBondContact O-CG1 3.02Å; V33-I37 PolarHBondContact O-N 3.17Å; V34-I37 PolarHBondContact O-N 3.23Å; I37-S39 PolarHBondContact O-N 2.98Å; I37-L40 PolarHBondContact O-N 3.36Å; I37-E41 PolarHBondContact O-N 3.22Å; I37-I47 HydrophobicContact CG2-CD1 4.05Å; I37-C49 HydrophobicContact CG2-CB 4.46Å; I37-C49 WeakPolarHBondContact CG2-SG 3.01Å; I37-V171 HydrophobicContact CD1-CG2 3.5Å; I37-V171 HydrophobicContact CG1-CG2 3.9Å; I37-V171 HydrophobicContact CG2-CG2 4.13Å
38K86.2Confident85.1Confident106 Ų10654.9 Ų54.946%0.46130%0.298SS..Hα-helixtrans-60.3-35178.4-71.8-175.9178.2-177.60112.8V34 N42V34-K38 HydrophobicContact CG1-CD 4.38Å; V34-K38 WeakPolarHBondContact O-CG 3.1Å; V34-K38 PolarHBondContact O-N 3.2Å; K38-N42 PolarHBondContact O-N 3.42Å; K38-N42 PolarHBondContact O-ND2 3.46Å
39S84.5Confident85Confident35 Ų3554.7 Ų54.725%0.24530%0.298CS..Hα-helixtrans-68.4-36.9175.3-165.50000112.4Q4 G35 G36 I37 Y43Q4-S39 PolarHBondContact NE2-OG 2.98Å; G35-S39 PolarHBondContact O-N 2.84Å; G35-S39 VanDerWaalsContact O-N 3.16Å; G36-S39 WeakPolarHBondContact O-CB 3.34Å; G36-S39 PolarHBondContact O-N 3.43Å; I37-S39 PolarHBondContact O-N 2.98Å; S39-Y43 WeakPolarHBondContact O-CD2 3.15Å; S39-Y43 WeakPolarHBondContact O-CE2 3.12Å
40L85Confident85Confident0 Ų054.7 Ų54.70%030%0.295CS..Hα-helixtrans-73-32177.1-74.9173000112.6Q4 I7 L8 G36 I37 N42 Y43 I47 I181Q4-L40 HydrophobicContact CB-CD1 4.47Å; Q4-L40 HydrophobicContact CB-CD2 4.17Å; Q4-L40 HydrophobicContact CB-CG 4.26Å; Q4-L40 HydrophobicContact CG-CG 4.35Å; I7-L40 HydrophobicContact CB-CD1 3.85Å; I7-L40 HydrophobicContact CD1-CD1 4.35Å; I7-L40 HydrophobicContact CG2-CD1 3.46Å; I7-L40 VanDerWaalsContact CG2-CD1 3.46Å; L8-L40 HydrophobicContact CD1-CD2 3.92Å; L8-L40 HydrophobicContact CD2-CD1 4.11Å; L8-L40 HydrophobicContact CD2-CD2 4.08Å; L8-L40 HydrophobicContact CG-CD1 4.08Å; L8-L40 HydrophobicContact CG-CD2 4.02Å; G36-L40 PolarHBondContact O-N 2.9Å; I37-L40 PolarHBondContact O-N 3.36Å; L40-N42 PolarHBondContact O-N 2.7Å; L40-Y43 PolarHBondContact O-N 2.85Å; L40-Y43 VanDerWaalsContact O-N 3.12Å; L40-I47 HydrophobicContact CB-CD1 3.42Å; L40-I47 VanDerWaalsContact CB-CD1 3.42Å; L40-I47 HydrophobicContact CB-CG1 3.99Å; L40-I47 HydrophobicContact CD1-CD1 4.38Å; L40-I181 HydrophobicContact CD2-CD1 3.55Å
41E83.9Confident85Confident102 Ų10258.1 Ų58.148%0.47731%0.314SS..Hα-helixtrans-63.7-27.6175.7-167.9175-153.300112.7I37 Y43I37-E41 PolarHBondContact O-N 3.22Å; E41-Y43 PolarHBondContact O-N 3.35Å
42N76.5Confident84.9Confident136 Ų13654 Ų5473%0.72730%0.298SS*.THydrogen-bonded Turntrans-63.9-22.2173.8-71-35000113.2K38 L40K38-N42 PolarHBondContact O-N 3.42Å; K38-N42 PolarHBondContact O-ND2 3.46Å; L40-N42 PolarHBondContact O-N 2.7Å
43Y76.4Confident84.7Confident77 Ų7753.2 Ų53.230%0.30230%0.297SS..SBendtrans-89.5111.6176-62.1-83000109.6S39 L40 E41 G45 I46 I181S39-Y43 WeakPolarHBondContact O-CD2 3.15Å; S39-Y43 WeakPolarHBondContact O-CE2 3.12Å; L40-Y43 PolarHBondContact O-N 2.85Å; L40-Y43 VanDerWaalsContact O-N 3.12Å; E41-Y43 PolarHBondContact O-N 3.35Å; Y43-G45 PolarHBondContact O-N 2.94Å; Y43-I46 HydrophobicContact CD2-CD1 4.48Å; Y43-I46 HydrophobicContact CG-CD1 3.9Å; Y43-I46 PolarHBondContact O-N 3.01Å; Y43-I181 HydrophobicContact CD1-CG2 3.58Å; Y43-I181 HydrophobicContact CD2-CG2 4.1Å; Y43-I181 HydrophobicContact CE1-CG2 3.26Å; Y43-I181 HydrophobicContact CE2-CD1 4.28Å; Y43-I181 HydrophobicContact CE2-CG2 3.82Å; Y43-I181 HydrophobicContact CG-CG2 3.99Å
44S69.9Low84.3Confident94 Ų9457.4 Ų57.466%0.65732%0.317SS*.THydrogen-bonded Turntrans-55.8112.5-170.8620000112.5
45G74.5Confident83.8Confident25 Ų2560.5 Ų60.526%0.25834%0.336SS..THydrogen-bonded Turntrans82.67172.200000116.1Y43 G174 P175 S176Y43-G45 PolarHBondContact O-N 2.94Å; G45-G174 CarbonylContact O-C 3.39Å; G45-G174 VanDerWaalsContact O-CA 3.24Å; G45-G174 WeakPolarHBondContact O-CA 3.49Å; G45-P175 WeakPolarHBondContact O-CD 3.42Å; G45-S176 CarbonylContact O-C 3.54Å; G45-S176 WeakPolarHBondContact O-CA 3.29Å; G45-S176 WeakPolarHBondContact O-CB 3.23Å; G45-S176 PolarHBondContact O-N 3.47Å
46I83.2Confident83.5Confident15 Ų1562.9 Ų62.98%0.07734%0.338CS..THydrogen-bonded Turntrans-69.7-50.9175.6-61.5-166.4000110.4L8 Y43 G174 F177 I181L8-I46 HydrophobicContact CD2-CG2 3.72Å; Y43-I46 HydrophobicContact CD2-CD1 4.48Å; Y43-I46 HydrophobicContact CG-CD1 3.9Å; Y43-I46 PolarHBondContact O-N 3.01Å; I46-G174 PolarHBondContact O-N 3.42Å; I46-F177 WeakPolarHBondContact O-CD2 3.34Å; I46-I181 HydrophobicContact CD1-CG1 4.17Å; I46-I181 HydrophobicContact CD1-CG2 4.43Å
47I87.4Confident83.2Confident11 Ų1164.4 Ų64.46%0.05635%0.345CS..EExtended strand (participates in β ladder)trans-124.8155.9177.463.7172.3000111L8 L11 I37 L40 C49 V171 R172L8-I47 HydrophobicContact CD2-CG2 4.3Å; L11-I47 HydrophobicContact CD1-CG2 3.64Å; I37-I47 HydrophobicContact CG2-CD1 4.05Å; L40-I47 HydrophobicContact CB-CD1 3.42Å; L40-I47 VanDerWaalsContact CB-CD1 3.42Å; L40-I47 HydrophobicContact CB-CG1 3.99Å; L40-I47 HydrophobicContact CD1-CD1 4.38Å; I47-C49 WeakPolarHBondContact CD1-SG 3.2Å; I47-V171 HydrophobicContact CB-CG1 4.12Å; I47-V171 HydrophobicContact CD1-CG1 4.1Å; I47-V171 HydrophobicContact CG2-CG1 4.32Å; I47-R172 WeakPolarHBondContact CA-O 3.24Å
48Q86.8Confident83Confident106 Ų10669.2 Ų69.250%0.49537%0.367SS..EExtended strand (participates in β ladder)trans-115.7125.9167.3-76.9176.2-8.200108.1R172Q48-R172 HydrophobicContact CB-CB 4.34Å; Q48-R172 PolarHBondContact N-O 2.78Å; Q48-R172 PolarHBondContact O-N 3.13Å
49C88.4Confident82.9Confident32 Ų3265.4 Ų65.422%0.21635%0.352CS..EExtended strand (participates in β ladder)trans-115.1136.7-179.1-59.20000110.1I37 I47 L170I37-C49 HydrophobicContact CG2-CB 4.46Å; I37-C49 WeakPolarHBondContact CG2-SG 3.01Å; I47-C49 WeakPolarHBondContact CD1-SG 3.2Å; C49-L170 WeakPolarHBondContact CA-O 3.3Å
50E89.3Confident83.1Confident102 Ų10265.1 Ų65.148%0.47735%0.348SS..EExtended strand (participates in β ladder)trans-123.7128.2173-178.7-179.8-173.200108.8L170 R172E50-L170 HydrophobicContact CB-CB 4.31Å; E50-L170 PolarHBondContact N-O 3.3Å; E50-L170 PolarHBondContact O-N 3.41Å; E50-R172 IonicContact OE2-CZ 3.01Å; E50-R172 IonicContact OE2-NH2 2.82Å; E50-R172 PolarHBondContact OE2-NH2 2.95Å; E50-R172 VanDerWaalsContact OE2-NH2 3.15Å
51D89.1Confident83.2Confident100 Ų10074 Ų7454%0.53539%0.39SS..EExtended strand (participates in β ladder)trans-78.5124.7-178.3-65.9-3.4000110.3Y169D51-Y169 WeakPolarHBondContact OD1-CD1 3.17Å; D51-Y169 WeakPolarHBondContact OD1-CE1 3.37Å
52V87.6Confident83.3Confident48 Ų4872.4 Ų72.429%0.29138%0.382SS..EExtended strand (participates in β ladder)trans-113.7104.1175.1-178.10000108.5S168 L170V52-S168 WeakPolarHBondContact CA-O 3.34Å; V52-S168 PolarHBondContact N-O 3.03Å; V52-S168 PolarHBondContact O-N 3.42Å; V52-S168 VanDerWaalsContact O-O 3.13Å; V52-S168 PolarHBondContact O-OG 2.8Å; V52-L170 HydrophobicContact CG2-CB 4.05Å
53V84.9Confident83.8Confident75 Ų7565.9 Ų65.946%0.45535%0.348SS..EExtended strand (participates in β ladder)trans-99.6114.2-178.8-175.40000110V55 K165 T167V53-V55 HydrophobicContact CG1-CG2 4.27Å; V53-K165 HydrophobicContact CG1-CB 4.25Å; V53-T167 HydrophobicContact CG2-CG2 4.06Å
54E81.2Confident84.3Confident88 Ų8865 Ų6541%0.41135%0.348SS..EExtended strand (participates in β ladder)trans-99.5128.3170.7-71.3175.7-152.200109.3K18 H166K18-E54 IonicContact NZ-OE1 2.98Å; K18-E54 PolarHBondContact NZ-OE1 3.32Å; E54-H166 PolarHBondContact N-O 2.88Å; E54-H166 PolarHBondContact O-N 3.3Å
55V81Confident85.1Confident73 Ų7364.7 Ų64.744%0.44234%0.336SS..EExtended strand (participates in β ladder)trans-107.2109.3-179-173.40000108.9V53 E163 K165V53-V55 HydrophobicContact CG1-CG2 4.27Å; V55-E163 HydrophobicContact CG1-CB 3.74Å; V55-E163 VanDerWaalsContact CG1-CD 3.48Å; V55-E163 HydrophobicContact CG1-CG 3.65Å; V55-K165 HydrophobicContact CG2-CG 4.26Å
56I80.5Confident85.7Confident92 Ų9263.7 Ų63.747%0.47233%0.325SS..EExtended strand (participates in β ladder)trans-102.1130.1179.1-55.8173.4000108.1E163 L164I56-E163 WeakPolarHBondContact O-CA 3.48Å; I56-L164 PolarHBondContact N-O 3.15Å; I56-L164 PolarHBondContact O-N 3.2Å
57L82.2Confident85.9Confident34 Ų3464.1 Ų64.118%0.17833%0.327CS..EExtended strand (participates in β ladder)trans-84.5123172.5-81154.3000109.2V140 K152 V161 E163L57-V140 HydrophobicContact CB-CG1 4.23Å; L57-K152 HydrophobicContact CD1-CD 3.69Å; L57-K152 VanDerWaalsContact CD1-CE 3.41Å; L57-K152 HydrophobicContact CD1-CG 3.84Å; L57-V161 HydrophobicContact CD2-CB 4.14Å; L57-V161 HydrophobicContact CD2-CG2 3.84Å; L57-E163 HydrophobicContact CD2-CG 3.6Å; L57-E163 HydrophobicContact CG-CG 4.08Å
58Q84.2Confident85.9Confident102 Ų10269.3 Ų69.348%0.47736%0.355SS..EExtended strand (participates in β ladder)trans-114.3147.2174.3-165.6-1807.400109.7V161 T162 L164Q58-V161 CarbonylContact O-C 3.57Å; Q58-V161 VanDerWaalsContact O-CA 3.23Å; Q58-V161 WeakPolarHBondContact O-CA 3.33Å; Q58-T162 PolarHBondContact N-O 3.21Å; Q58-T162 PolarHBondContact O-N 3.02Å; Q58-L164 HydrophobicContact CB-CD1 4.44Å
59L85.5Confident85.8Confident26 Ų2666.6 Ų66.614%0.13635%0.348CS..EExtended strand (participates in β ladder)trans-69.6140.6171.7-70.8162000110.4L67 L137 V140 K141 V161L59-L67 HydrophobicContact CD1-CD2 4.12Å; L59-L137 HydrophobicContact CD2-CB 3.92Å; L59-L137 HydrophobicContact CD2-CD2 3.31Å; L59-L137 HydrophobicContact CD2-CG 4.13Å; L59-V140 HydrophobicContact CG-CG1 4.43Å; L59-K141 HydrophobicContact CD1-CB 3.73Å; L59-K141 HydrophobicContact CD1-CD 3.83Å; L59-K141 HydrophobicContact CD1-CG 3.92Å; L59-V161 HydrophobicContact CD2-CG1 4.19Å
60T88Confident85.8Confident29 Ų2965.1 Ų65.118%0.17834%0.338CS..  trans-77.6167.1166.257.70000110.3E62 G63 D64 K159 L160 T162T60-E62 PolarHBondContact O-N 2.84Å; T60-G63 CarbonylContact O-C 3.52Å; T60-G63 WeakPolarHBondContact O-CA 3.43Å; T60-G63 PolarHBondContact O-N 3.43Å; T60-G63 PolarHBondContact OG1-N 3.08Å; T60-G63 VanDerWaalsContact OG1-N 3.15Å; T60-D64 PolarHBondContact O-N 2.65Å; T60-K159 WeakPolarHBondContact CG2-O 3.47Å; T60-K159 PolarHBondContact OG1-O 2.64Å; T60-L160 PolarHBondContact N-O 3.15Å; T60-L160 VanDerWaalsContact N-O 3.12Å; T60-L160 VanDerWaalsContact OG1-C 3.27Å; T60-L160 WeakPolarHBondContact OG1-CA 3.22Å; T60-L160 PolarHBondContact OG1-O 3.33Å; T60-T162 HydrophobicContact CG2-CG2 3.56Å
61E86.5Confident85.8Confident186 Ų18660.3 Ų60.387%0.86932%0.316SS*.Hα-helixtrans-54.7-42.1173.7-66-179.5171.500111.9D64 E65E61-D64 PolarHBondContact O-N 2.76Å; E61-E65 PolarHBondContact O-N 3Å
62E85.8Confident85.8Confident69 Ų6955.9 Ų55.932%0.32229%0.292SS..Hα-helixtrans-66.2-36.6174.6-170.3179.4177.800112T60 E65 I66 H72 L160T60-E62 PolarHBondContact O-N 2.84Å; E62-E65 PolarHBondContact O-N 3.17Å; E62-I66 HydrophobicContact CG-CD1 4.18Å; E62-I66 WeakPolarHBondContact O-CB 3.42Å; E62-I66 WeakPolarHBondContact O-CG1 3.45Å; E62-I66 PolarHBondContact O-N 3.19Å; E62-H72 IonicContact OE1-CD2 3.19Å; E62-H72 IonicContact OE1-CE1 2.9Å; E62-H72 IonicContact OE1-NE2 3.84Å; E62-H72 PolarHBondContact OE1-NE2 2.95Å; E62-L160 HydrophobicContact CG-CD2 4.2Å
63G87.2Confident85.9Confident0 Ų053.8 Ų53.80%028%0.279CS..Hα-helixtrans-63.7-40.7174.100000112.9T60 I66 L67T60-G63 CarbonylContact O-C 3.52Å; T60-G63 WeakPolarHBondContact O-CA 3.43Å; T60-G63 PolarHBondContact O-N 3.43Å; T60-G63 PolarHBondContact OG1-N 3.08Å; T60-G63 VanDerWaalsContact OG1-N 3.15Å; G63-I66 PolarHBondContact O-N 3.41Å; G63-L67 WeakPolarHBondContact O-CB 3.36Å; G63-L67 PolarHBondContact O-N 2.78Å
64D87.6Confident86.1Confident57 Ų5753.4 Ų53.431%0.30527%0.27SS..Hα-helixtrans-71.7-34.8176.1-157.663.5000111.5T60 E61 L67 N68 K141T60-D64 PolarHBondContact O-N 2.65Å; E61-D64 PolarHBondContact O-N 2.76Å; D64-L67 WeakPolarHBondContact O-CB 3.26Å; D64-L67 PolarHBondContact O-N 2.66Å; D64-N68 PolarHBondContact O-N 2.86Å; D64-N68 PolarHBondContact O-ND2 3.45Å; D64-N68 VanDerWaalsContact O-ND2 3.1Å; D64-K141 IonicContact OD1-NZ 3.55Å; D64-K141 PolarHBondContact OD1-NZ 2.93Å
65E86.7Confident86.5Confident89 Ų8951.9 Ų51.942%0.41626%0.26SS..Hα-helixtrans-61.9-45.5171-166.7-164.3152.600111.4E61 E62 L67 N68 S69 R75E61-E65 PolarHBondContact O-N 3Å; E62-E65 PolarHBondContact O-N 3.17Å; E65-L67 VanDerWaalsContact C-N 3.31Å; E65-L67 PolarHBondContact O-N 3.38Å; E65-N68 PolarHBondContact O-N 3.49Å; E65-S69 WeakPolarHBondContact O-CB 3.2Å; E65-S69 PolarHBondContact O-N 2.84Å; E65-S69 PolarHBondContact O-OG 3.21Å; E65-R75 IonicContact OE1-NH1 2.93Å; E65-R75 PolarHBondContact OE1-NH1 3.24Å
66I87.5Confident86.9Confident3 Ų348.4 Ų48.42%0.01524%0.239CC..Hα-helixtrans-65.8-36.4177.8-77163.5000111.2E62 G63 N68 G70 V133 L137 L160E62-I66 HydrophobicContact CG-CD1 4.18Å; E62-I66 WeakPolarHBondContact O-CB 3.42Å; E62-I66 WeakPolarHBondContact O-CG1 3.45Å; E62-I66 PolarHBondContact O-N 3.19Å; G63-I66 PolarHBondContact O-N 3.41Å; I66-N68 PolarHBondContact O-N 3.5Å; I66-G70 CarbonylContact O-C 3.59Å; I66-G70 VanDerWaalsContact O-CA 3.25Å; I66-G70 WeakPolarHBondContact O-CA 3.32Å; I66-G70 PolarHBondContact O-N 2.84Å; I66-V133 HydrophobicContact CG2-CG1 4.48Å; I66-L137 HydrophobicContact CB-CD1 4Å; I66-L137 HydrophobicContact CG2-CD1 3.44Å; I66-L137 VanDerWaalsContact CG2-CD1 3.44Å; I66-L160 HydrophobicContact CD1-CD1 4.24Å; I66-L160 HydrophobicContact CD1-CD2 3.34Å; I66-L160 HydrophobicContact CD1-CG 4.42Å
67L87.2Confident87.3Confident24 Ų2444.6 Ų44.613%0.12622%0.219CC..Hα-helixtrans-59.2-38.7175.7-173.568.6000111.4L59 G63 D64 E65 Q134 L137 S138 K141L59-L67 HydrophobicContact CD1-CD2 4.12Å; G63-L67 WeakPolarHBondContact O-CB 3.36Å; G63-L67 PolarHBondContact O-N 2.78Å; D64-L67 WeakPolarHBondContact O-CB 3.26Å; D64-L67 PolarHBondContact O-N 2.66Å; E65-L67 VanDerWaalsContact C-N 3.31Å; E65-L67 PolarHBondContact O-N 3.38Å; L67-Q134 PolarHBondContact O-NE2 2.91Å; L67-L137 HydrophobicContact CD1-CB 3.99Å; L67-S138 VanDerWaalsContact CD1-N 3.33Å; L67-K141 HydrophobicContact CD2-CB 4.34Å; L67-K141 HydrophobicContact CD2-CD 3.3Å; L67-K141 HydrophobicContact CD2-CG 4.44Å
68N86.5Confident87.6Confident121 Ų12152 Ų5265%0.64725%0.245SC*.Hα-helixtrans-84.4-36.2-179.4-66.1-38.7000113.7D64 E65 I66D64-N68 PolarHBondContact O-N 2.86Å; D64-N68 PolarHBondContact O-ND2 3.45Å; D64-N68 VanDerWaalsContact O-ND2 3.1Å; E65-N68 PolarHBondContact O-N 3.49Å; I66-N68 PolarHBondContact O-N 3.5Å
69S85.7Confident87.7Confident49 Ų4948.6 Ų48.634%0.34323%0.234SC..Hα-helixtrans-105.1-7.9-170.865.50000115.2E65 R75E65-S69 WeakPolarHBondContact O-CB 3.2Å; E65-S69 PolarHBondContact O-N 2.84Å; E65-S69 PolarHBondContact O-OG 3.21Å; S69-R75 WeakPolarHBondContact O-CG 3.4Å; S69-R75 PolarHBondContact OG-NH1 3.26Å
70G87.5Confident87.8Confident1 Ų147.4 Ų47.41%0.0123%0.228CC..  trans86.2161.6-168.700000112.3I66 R75 D131I66-G70 CarbonylContact O-C 3.59Å; I66-G70 VanDerWaalsContact O-CA 3.25Å; I66-G70 WeakPolarHBondContact O-CA 3.32Å; I66-G70 PolarHBondContact O-N 2.84Å; G70-R75 WeakPolarHBondContact O-CD 3.26Å; G70-D131 WeakPolarHBondContact CA-OD2 3.33Å
71S89.3Confident87.6Confident1 Ų148.7 Ų48.71%0.00724%0.237CC..  trans-64.7152.5178.664.60000112.1E73 Y74 R75 D131S71-E73 PolarHBondContact O-N 3.17Å; S71-Y74 PolarHBondContact O-N 3.05Å; S71-Y74 WeakPolarHBondContact OG-CB 3.32Å; S71-Y74 PolarHBondContact OG-N 3.39Å; S71-R75 WeakPolarHBondContact O-CG 3.47Å; S71-R75 PolarHBondContact O-N 2.87Å; S71-D131 WeakPolarHBondContact CB-OD1 3.22Å; S71-D131 PolarHBondContact N-OD2 3.34Å; S71-D131 PolarHBondContact OG-OD1 3.05Å; S71-D131 PolarHBondContact OG-OD2 3.44Å
72H89.4Confident87.3Confident6 Ų648.9 Ų48.93%0.02824%0.237CC..Hα-helixtrans-55.4-41.2-179.5-64.6-49.2000111.6E62 R75 V76 F94 G100E62-H72 IonicContact OE1-CD2 3.19Å; E62-H72 IonicContact OE1-CE1 2.9Å; E62-H72 IonicContact OE1-NE2 3.84Å; E62-H72 PolarHBondContact OE1-NE2 2.95Å; H72-R75 PolarHBondContact O-N 3.2Å; H72-V76 WeakPolarHBondContact O-CG2 3.44Å; H72-V76 PolarHBondContact O-N 3.33Å; H72-F94 HydrophobicContact CB-CE2 4.02Å; H72-F94 AromaticContact ND1-CD2 3.87Å; H72-F94 AromaticContact ND1-CE2 3.41Å; H72-F94 WeakPolarHBondContact ND1-CE2 3.38Å; H72-F94 WeakPolarHBondContact O-CZ 3.26Å; H72-G100 VanDerWaalsContact C-CA 3.49Å
73E89.4Confident87.1Confident4 Ų450.7 Ų50.72%0.01926%0.258CS..Hα-helixtrans-64.3-39175.851.9-92.6-133.400113.2S71 V76 Y77 K103 A104 W109 R158S71-E73 PolarHBondContact O-N 3.17Å; E73-V76 PolarHBondContact O-N 2.84Å; E73-Y77 WeakPolarHBondContact O-CB 3.49Å; E73-Y77 PolarHBondContact O-N 3.44Å; E73-K103 HydrophobicContact CB-CB 3.93Å; E73-K103 HydrophobicContact CG-CB 4.39Å; E73-K103 WeakPolarHBondContact OE1-CD 3.42Å; E73-K103 VanDerWaalsContact OE2-CD 3.29Å; E73-K103 WeakPolarHBondContact OE2-CD 3.33Å; E73-K103 IonicContact OE2-NZ 2.64Å; E73-A104 HydrophobicContact CB-CB 4.12Å; E73-W109 HydrophobicContact CB-CE3 4.02Å; E73-W109 HydrophobicContact CB-CH2 4.48Å; E73-W109 HydrophobicContact CB-CZ3 3.65Å; E73-W109 HydrophobicContact CG-CE3 4.26Å; E73-W109 HydrophobicContact CG-CH2 3.81Å; E73-W109 HydrophobicContact CG-CZ3 3.43Å; E73-W109 VanDerWaalsContact CG-CZ3 3.43Å; E73-R158 IonicContact OE1-CZ 3.6Å; E73-R158 IonicContact OE1-NH1 3.29Å; E73-R158 PolarHBondContact OE1-NH1 3.05Å; E73-R158 IonicContact OE1-NH2 3.33Å
74Y90.2Very high86.9Confident68 Ų6851.3 Ų51.327%0.26726%0.264SS..Hα-helixtrans-71.8-39.6177.6-175.3-107.8000111.7S71 V76 Y77 R78 V129 D131S71-Y74 PolarHBondContact O-N 3.05Å; S71-Y74 WeakPolarHBondContact OG-CB 3.32Å; S71-Y74 PolarHBondContact OG-N 3.39Å; Y74-V76 VanDerWaalsContact C-N 3.35Å; Y74-V76 PolarHBondContact O-N 2.8Å; Y74-Y77 PolarHBondContact O-N 2.92Å; Y74-R78 WeakPolarHBondContact O-CB 3.34Å; Y74-R78 PolarHBondContact O-N 2.8Å; Y74-V129 HydrophobicContact CD2-CG1 4.41Å; Y74-D131 WeakPolarHBondContact CB-OD2 3.41Å; Y74-D131 HydrophobicContact CD1-CB 4.2Å; Y74-D131 HydrophobicContact CD2-CB 4.04Å; Y74-D131 HydrophobicContact CG-CB 3.85Å
75R88.9Confident86.8Confident55 Ų5550.1 Ų50.121%0.20826%0.257CS..Hα-helixtrans-60.1-42.5172.8-71.2174.466.9173.71111.6E65 S69 G70 S71 H72 A79 F94E65-R75 IonicContact OE1-NH1 2.93Å; E65-R75 PolarHBondContact OE1-NH1 3.24Å; S69-R75 WeakPolarHBondContact O-CG 3.4Å; S69-R75 PolarHBondContact OG-NH1 3.26Å; G70-R75 WeakPolarHBondContact O-CD 3.26Å; S71-R75 WeakPolarHBondContact O-CG 3.47Å; S71-R75 PolarHBondContact O-N 2.87Å; H72-R75 PolarHBondContact O-N 3.2Å; R75-A79 WeakPolarHBondContact O-CB 3.48Å; R75-A79 PolarHBondContact O-N 2.87Å; R75-A79 VanDerWaalsContact O-N 3.1Å; R75-F94 HydrophobicContact CB-CE1 3.78Å; R75-F94 HydrophobicContact CB-CE2 4.29Å; R75-F94 HydrophobicContact CB-CZ 3.61Å
76V88.3Confident86.8Confident0 Ų047.7 Ų47.70%025%0.249CC..Hα-helixtrans-63.2-47.8173.4169.50000111.3H72 E73 Y74 R78 A79 I80 I90 F94 I101 I110H72-V76 WeakPolarHBondContact O-CG2 3.44Å; H72-V76 PolarHBondContact O-N 3.33Å; E73-V76 PolarHBondContact O-N 2.84Å; Y74-V76 VanDerWaalsContact C-N 3.35Å; Y74-V76 PolarHBondContact O-N 2.8Å; V76-R78 VanDerWaalsContact C-N 3.32Å; V76-R78 PolarHBondContact O-N 2.92Å; V76-A79 PolarHBondContact O-N 2.85Å; V76-A79 VanDerWaalsContact O-N 3.16Å; V76-I80 HydrophobicContact CG1-CD1 4.04Å; V76-I80 WeakPolarHBondContact O-CG1 3.35Å; V76-I80 PolarHBondContact O-N 3.31Å; V76-I90 HydrophobicContact CG1-CD1 4.21Å; V76-I90 HydrophobicContact CG1-CG2 4.19Å; V76-I90 HydrophobicContact CG2-CG2 4.02Å; V76-F94 HydrophobicContact CG2-CE1 4.02Å; V76-F94 HydrophobicContact CG2-CZ 3.7Å; V76-I101 HydrophobicContact CG1-CG1 3.87Å; V76-I101 HydrophobicContact CG2-CG1 4.06Å; V76-I110 HydrophobicContact CG1-CD1 3.9Å
77Y88.8Confident86.8Confident13 Ų1350.3 Ų50.35%0.05126%0.261CS..Hα-helixtrans-56.7-46.9178.8174.9-97.5000111.5E73 Y74 A79 I80 W109 I110 R124 V126 P127 E128 V129E73-Y77 WeakPolarHBondContact O-CB 3.49Å; E73-Y77 PolarHBondContact O-N 3.44Å; Y74-Y77 PolarHBondContact O-N 2.92Å; Y77-A79 VanDerWaalsContact C-N 3.29Å; Y77-A79 PolarHBondContact O-N 3.09Å; Y77-I80 PolarHBondContact O-N 3.23Å; Y77-W109 HydrophobicContact CD2-CB 4.22Å; Y77-I110 HydrophobicContact CD2-CG2 4.23Å; Y77-R124 HydrophobicContact CD2-CG 4.01Å; Y77-R124 HydrophobicContact CE2-CB 4Å; Y77-R124 HydrophobicContact CE2-CG 3.64Å; Y77-R124 VanDerWaalsContact O-CZ 3.28Å; Y77-R124 PolarHBondContact O-NE 2.86Å; Y77-R124 PolarHBondContact O-NH2 2.66Å; Y77-V126 WeakPolarHBondContact CE2-O 3.33Å; Y77-V126 PolarHBondContact OH-O 2.96Å; Y77-P127 PolarHBondContact OH-O 2.91Å; Y77-E128 PolarHBondContact OH-N 2.84Å; Y77-V129 HydrophobicContact CD1-CB 4.06Å; Y77-V129 HydrophobicContact CD1-CG2 4.04Å; Y77-V129 HydrophobicContact CD2-CG2 3.8Å; Y77-V129 HydrophobicContact CE1-CB 4Å; Y77-V129 HydrophobicContact CE1-CG2 3.85Å; Y77-V129 HydrophobicContact CE2-CG2 3.57Å; Y77-V129 HydrophobicContact CG-CB 4.39Å; Y77-V129 HydrophobicContact CG-CG2 4.03Å
78R88.4Confident86.7Confident189 Ų18952 Ų5271%0.71328%0.275SS*.Hα-helixtrans-65.5-29.9179.2-160.7-178.4-174.3-162.52.1113Y74 V76 R124Y74-R78 WeakPolarHBondContact O-CB 3.34Å; Y74-R78 PolarHBondContact O-N 2.8Å; V76-R78 VanDerWaalsContact C-N 3.32Å; V76-R78 PolarHBondContact O-N 2.92Å; R78-R124 PolarHBondContact O-NH2 3.17Å
79A87.8Confident86.7Confident31 Ų3149.3 Ų49.326%0.25626%0.261SS..Hα-helixtrans-77.3-16.5179.200000114.8R75 V76 Y77 P81 I93R75-A79 WeakPolarHBondContact O-CB 3.48Å; R75-A79 PolarHBondContact O-N 2.87Å; R75-A79 VanDerWaalsContact O-N 3.1Å; V76-A79 PolarHBondContact O-N 2.85Å; V76-A79 VanDerWaalsContact O-N 3.16Å; Y77-A79 VanDerWaalsContact C-N 3.29Å; Y77-A79 PolarHBondContact O-N 3.09Å; A79-P81 WeakPolarHBondContact O-CD 3.39Å; A79-I93 HydrophobicContact CB-CD1 3.71Å
80I86.6Confident86.7Confident0 Ų047 Ų470%025%0.245CC..  trans-83.7114.9-179.7-65.1159.4000110.2V76 Y77 I85 I90 I110 L122 R124V76-I80 HydrophobicContact CG1-CD1 4.04Å; V76-I80 WeakPolarHBondContact O-CG1 3.35Å; V76-I80 PolarHBondContact O-N 3.31Å; Y77-I80 PolarHBondContact O-N 3.23Å; I80-I85 HydrophobicContact CB-CG2 4.36Å; I80-I85 HydrophobicContact CG1-CG2 3.95Å; I80-I85 HydrophobicContact CG2-CG2 4.33Å; I80-I90 HydrophobicContact CD1-CD1 3.95Å; I80-I90 HydrophobicContact CG1-CD1 3.39Å; I80-I110 HydrophobicContact CD1-CB 4.08Å; I80-I110 HydrophobicContact CD1-CD1 4.19Å; I80-I110 HydrophobicContact CD1-CG2 3.43Å; I80-I110 VanDerWaalsContact CD1-CG2 3.43Å; I80-L122 HydrophobicContact CD1-CB 4.03Å; I80-L122 HydrophobicContact CG1-CB 4.38Å; I80-R124 HydrophobicContact CB-CG 4.16Å; I80-R124 HydrophobicContact CG2-CG 3.99Å; I80-R124 PolarHBondContact O-NE 2.86Å; I80-R124 PolarHBondContact O-NH2 3.19Å
81P84.5Confident86.5Confident57 Ų5750.4 Ų50.437%0.3726%0.262SS..  trans-69.8162.5171.330.5-33.4000111.3A79 S83 G84 I85A79-P81 WeakPolarHBondContact O-CD 3.39Å; P81-S83 PolarHBondContact O-N 3.32Å; P81-G84 PolarHBondContact O-N 2.87Å; P81-I85 HydrophobicContact CG-CB 4.31Å
82E79.9Confident86.4Confident189 Ų18958.3 Ų58.388%0.88330%0.297SS*.THydrogen-bonded Turntrans-58.7-29.3178.6-71.5-171.6164.100113.3G84E82-G84 PolarHBondContact O-N 2.88Å
83S80.9Confident86Confident108 Ų10862.5 Ų62.576%0.75532%0.318SS*.THydrogen-bonded Turntrans-67-9.9174.158.50000114.2P81P81-S83 PolarHBondContact O-N 3.32Å
84G83.3Confident85.7Confident12 Ų1262.9 Ų62.912%0.12432%0.32CS..  trans73.8165.2-165.300000112.6P81 E82 L122P81-G84 PolarHBondContact O-N 2.87Å; E82-G84 PolarHBondContact O-N 2.88Å; G84-L122 WeakPolarHBondContact CA-O 3.43Å
85I86.8Confident85.1Confident32 Ų3266.2 Ų66.216%0.16435%0.349CS..EExtended strand (participates in β ladder)trans-142.4143.1-179.9-172.1172.7000109.7I80 P81 D89 I90 C121 L122I80-I85 HydrophobicContact CB-CG2 4.36Å; I80-I85 HydrophobicContact CG1-CG2 3.95Å; I80-I85 HydrophobicContact CG2-CG2 4.33Å; P81-I85 HydrophobicContact CG-CB 4.31Å; I85-D89 HydrophobicContact CD1-CB 3.93Å; I85-D89 HydrophobicContact CG1-CB 4Å; I85-I90 HydrophobicContact CD1-CG1 4.34Å; I85-I90 HydrophobicContact CG2-CD1 3.49Å; I85-I90 VanDerWaalsContact CG2-CD1 3.49Å; I85-I90 HydrophobicContact CG2-CG1 3.54Å; I85-C121 WeakPolarHBondContact O-CA 3.28Å; I85-L122 PolarHBondContact N-O 2.87Å; I85-L122 VanDerWaalsContact N-O 3.11Å; I85-L122 PolarHBondContact O-N 3.16Å
86P86.9Confident84.8Confident38 Ų3863.8 Ų63.825%0.24734%0.342CS..EExtended strand (participates in β ladder)trans-56.6138.4172.7-26.236000112S88 D89 V119P86-S88 PolarHBondContact O-N 3.22Å; P86-S88 VanDerWaalsContact O-N 3.12Å; P86-D89 PolarHBondContact O-N 2.99Å; P86-V119 HydrophobicContact CB-CG1 4.33Å
87Q87.2Confident84.6Confident58 Ų5863.9 Ų63.927%0.27134%0.342SS..Hα-helixtrans-56.1-33179.5-176-174.5-23.500112.4D89 I90 L91 I101 P120 L122Q87-D89 PolarHBondContact O-N 3.38Å; Q87-I90 PolarHBondContact O-N 2.87Å; Q87-L91 HydrophobicContact CG-CD1 4.32Å; Q87-L91 WeakPolarHBondContact O-CG 3.46Å; Q87-L91 PolarHBondContact O-N 3.43Å; Q87-I101 HydrophobicContact CG-CD1 4.1Å; Q87-P120 HydrophobicContact CB-CG 4.44Å; Q87-P120 PolarHBondContact N-O 2.93Å; Q87-L122 HydrophobicContact CB-CD1 4.3Å; Q87-L122 HydrophobicContact CG-CD1 4.21Å
88S85.5Confident84.5Confident59 Ų5971 Ų7141%0.41337%0.374SS..Hα-helixtrans-61-30.6178.450.50000113.8P86P86-S88 PolarHBondContact O-N 3.22Å; P86-S88 VanDerWaalsContact O-N 3.12Å
89D86.3Confident84.4Confident66 Ų6666.1 Ų66.135%0.35336%0.361SS..Hα-helixtrans-83.7-36.4-175.3-62.8-24.1000110.9I85 P86 Q87 L91 K92I85-D89 HydrophobicContact CD1-CB 3.93Å; I85-D89 HydrophobicContact CG1-CB 4Å; P86-D89 PolarHBondContact O-N 2.99Å; Q87-D89 PolarHBondContact O-N 3.38Å; D89-L91 VanDerWaalsContact C-N 3.31Å; D89-L91 PolarHBondContact O-N 3.49Å; D89-K92 PolarHBondContact O-N 2.91Å
90I84.8Confident84.4Confident0 Ų064.7 Ų64.70%035%0.349CS..Hα-helixtrans-62.8-40.4172.7-58.4-169.6000111.3V76 I80 I85 Q87 K92 I93 A97 I101 L122V76-I90 HydrophobicContact CG1-CD1 4.21Å; V76-I90 HydrophobicContact CG1-CG2 4.19Å; V76-I90 HydrophobicContact CG2-CG2 4.02Å; I80-I90 HydrophobicContact CD1-CD1 3.95Å; I80-I90 HydrophobicContact CG1-CD1 3.39Å; I85-I90 HydrophobicContact CD1-CG1 4.34Å; I85-I90 HydrophobicContact CG2-CD1 3.49Å; I85-I90 VanDerWaalsContact CG2-CD1 3.49Å; I85-I90 HydrophobicContact CG2-CG1 3.54Å; Q87-I90 PolarHBondContact O-N 2.87Å; I90-K92 PolarHBondContact O-N 2.61Å; I90-I93 PolarHBondContact O-N 3.31Å; I90-A97 HydrophobicContact CG2-CB 4.28Å; I90-A97 VanDerWaalsContact O-CB 3.31Å; I90-A97 WeakPolarHBondContact O-CB 2.98Å; I90-I101 HydrophobicContact CB-CD1 4.33Å; I90-I101 HydrophobicContact CG2-CD1 4.07Å; I90-I101 HydrophobicContact CG2-CG1 4.25Å; I90-L122 HydrophobicContact CD1-CB 4.33Å; I90-L122 HydrophobicContact CD1-CD1 3.58Å
91L84.3Confident84.5Confident73 Ų7365 Ų6538%0.38235%0.351SS..THydrogen-bonded Turntrans-58.9-19.2179.7-74.4169.8000113.3Q87 D89 K98 I101Q87-L91 HydrophobicContact CG-CD1 4.32Å; Q87-L91 WeakPolarHBondContact O-CG 3.46Å; Q87-L91 PolarHBondContact O-N 3.43Å; D89-L91 VanDerWaalsContact C-N 3.31Å; D89-L91 PolarHBondContact O-N 3.49Å; L91-K98 HydrophobicContact CD2-CB 3.69Å; L91-K98 HydrophobicContact CD2-CG 4.17Å; L91-I101 HydrophobicContact CD2-CD1 3.96Å; L91-I101 HydrophobicContact CG-CD1 4.13Å
92K85.3Confident84.7Confident167 Ų16766.1 Ų66.173%0.72636%0.359SS*.THydrogen-bonded Turntrans-90.2-11.8178-64172.8-174168.10114D89 I90D89-K92 PolarHBondContact O-N 2.91Å; I90-K92 PolarHBondContact O-N 2.61Å
93I82.6Confident85Confident93 Ų9358.8 Ų58.848%0.47733%0.325SS..THydrogen-bonded Turntrans-75.5-42.4-171.1-58.7177.2000111.8A79 I90A79-I93 HydrophobicContact CB-CD1 3.71Å; I90-I93 PolarHBondContact O-N 3.31Å
94F82.5Confident85.4Confident13 Ų1353.7 Ų53.76%0.05729%0.289CS..  trans-154.1154.7179.964.3-83.6000113.2H72 R75 V76 G96 A97H72-F94 HydrophobicContact CB-CE2 4.02Å; H72-F94 AromaticContact ND1-CD2 3.87Å; H72-F94 AromaticContact ND1-CE2 3.41Å; H72-F94 WeakPolarHBondContact ND1-CE2 3.38Å; H72-F94 WeakPolarHBondContact O-CZ 3.26Å; R75-F94 HydrophobicContact CB-CE1 3.78Å; R75-F94 HydrophobicContact CB-CE2 4.29Å; R75-F94 HydrophobicContact CB-CZ 3.61Å; V76-F94 HydrophobicContact CG2-CE1 4.02Å; V76-F94 HydrophobicContact CG2-CZ 3.7Å; F94-G96 PolarHBondContact O-N 2.87Å; F94-A97 HydrophobicContact CD1-CB 4.07Å; F94-A97 HydrophobicContact CD2-CB 4.37Å; F94-A97 HydrophobicContact CE1-CB 3.94Å; F94-A97 HydrophobicContact CE2-CB 4.23Å; F94-A97 VanDerWaalsContact CE2-N 3.27Å; F94-A97 HydrophobicContact CG-CB 4.29Å; F94-A97 HydrophobicContact CZ-CB 4.03Å; F94-A97 VanDerWaalsContact O-CB 3.24Å; F94-A97 WeakPolarHBondContact O-CB 3.42Å; F94-A97 PolarHBondContact O-N 2.97Å
95P78.4Confident85.7Confident137 Ų13756.3 Ų56.389%0.8930%0.3SS*.THydrogen-bonded Turntrans-61.1-20.2-172-22.733.5000115.3
96G81.9Confident85.7Confident5 Ų559.1 Ų59.15%0.05232%0.322CS..THydrogen-bonded Turntrans-97.23177.500000115.4F94 K98 I99 G100F94-G96 PolarHBondContact O-N 2.87Å; G96-K98 VanDerWaalsContact C-N 3.26Å; G96-K98 PolarHBondContact O-N 3.24Å; G96-K98 VanDerWaalsContact O-N 3.16Å; G96-I99 WeakPolarHBondContact O-CB 3.41Å; G96-I99 PolarHBondContact O-N 2.9Å; G96-G100 PolarHBondContact O-N 2.82Å
97A83.4Confident85.7Confident1 Ų159.8 Ų59.81%0.00833%0.328CS..Hα-helixtrans-57.1-37.1-170.700000113.4I90 F94 I99 G100 I101I90-A97 HydrophobicContact CG2-CB 4.28Å; I90-A97 VanDerWaalsContact O-CB 3.31Å; I90-A97 WeakPolarHBondContact O-CB 2.98Å; F94-A97 HydrophobicContact CD1-CB 4.07Å; F94-A97 HydrophobicContact CD2-CB 4.37Å; F94-A97 HydrophobicContact CE1-CB 3.94Å; F94-A97 HydrophobicContact CE2-CB 4.23Å; F94-A97 VanDerWaalsContact CE2-N 3.27Å; F94-A97 HydrophobicContact CG-CB 4.29Å; F94-A97 HydrophobicContact CZ-CB 4.03Å; F94-A97 VanDerWaalsContact O-CB 3.24Å; F94-A97 WeakPolarHBondContact O-CB 3.42Å; F94-A97 PolarHBondContact O-N 2.97Å; A97-I99 VanDerWaalsContact C-N 3.34Å; A97-I99 PolarHBondContact O-N 3.31Å; A97-G100 PolarHBondContact O-N 3.42Å; A97-I101 VanDerWaalsContact O-CG1 3.29Å; A97-I101 WeakPolarHBondContact O-CG1 3.37Å; A97-I101 PolarHBondContact O-N 2.91Å
98K87Confident85.7Confident164 Ų16464.5 Ų64.571%0.71335%0.347SS*.Hα-helixtrans-62.6-40177-169.5176.9179.8179.80112.5L91 G96 S102L91-K98 HydrophobicContact CD2-CB 3.69Å; L91-K98 HydrophobicContact CD2-CG 4.17Å; G96-K98 VanDerWaalsContact C-N 3.26Å; G96-K98 PolarHBondContact O-N 3.24Å; G96-K98 VanDerWaalsContact O-N 3.16Å; K98-S102 PolarHBondContact O-N 3.41Å
99I86.7Confident85.9Confident86 Ų8663.4 Ų63.444%0.44133%0.334SS..Hα-helixtrans-69.8-42.4177.5-57.1175.1000109.3G96 A97 S102 K103G96-I99 WeakPolarHBondContact O-CB 3.41Å; G96-I99 PolarHBondContact O-N 2.9Å; A97-I99 VanDerWaalsContact C-N 3.34Å; A97-I99 PolarHBondContact O-N 3.31Å; I99-S102 PolarHBondContact O-N 3.22Å; I99-K103 HydrophobicContact CG2-CD 4.41Å; I99-K103 PolarHBondContact O-N 3.14Å
100G88.2Confident86.1Confident0 Ų060.4 Ų60.40%032%0.318CS..Hα-helixtrans-59-45.217600000113.3H72 G96 A97 S102 K103 A104H72-G100 VanDerWaalsContact C-CA 3.49Å; G96-G100 PolarHBondContact O-N 2.82Å; A97-G100 PolarHBondContact O-N 3.42Å; G100-S102 PolarHBondContact O-N 3.18Å; G100-K103 PolarHBondContact O-N 3.44Å; G100-A104 WeakPolarHBondContact O-CB 3.27Å; G100-A104 PolarHBondContact O-N 3.46Å
101I88Confident86.2Confident8 Ų861.8 Ų61.84%0.04133%0.329CS..Hα-helixtrans-60.5-47.9177.9-68.7162.3000110.5V76 Q87 I90 L91 A97 K103 A104 L105 I110 L122V76-I101 HydrophobicContact CG1-CG1 3.87Å; V76-I101 HydrophobicContact CG2-CG1 4.06Å; Q87-I101 HydrophobicContact CG-CD1 4.1Å; I90-I101 HydrophobicContact CB-CD1 4.33Å; I90-I101 HydrophobicContact CG2-CD1 4.07Å; I90-I101 HydrophobicContact CG2-CG1 4.25Å; L91-I101 HydrophobicContact CD2-CD1 3.96Å; L91-I101 HydrophobicContact CG-CD1 4.13Å; A97-I101 VanDerWaalsContact O-CG1 3.29Å; A97-I101 WeakPolarHBondContact O-CG1 3.37Å; A97-I101 PolarHBondContact O-N 2.91Å; I101-K103 PolarHBondContact O-N 2.85Å; I101-A104 PolarHBondContact O-N 3.33Å; I101-L105 HydrophobicContact CG2-CD1 3.83Å; I101-L105 HydrophobicContact CG2-CG 4.42Å; I101-L105 WeakPolarHBondContact O-CB 3.37Å; I101-L105 VanDerWaalsContact O-CG 3.3Å; I101-L105 WeakPolarHBondContact O-CG 3.47Å; I101-L105 PolarHBondContact O-N 2.86Å; I101-I110 HydrophobicContact CG2-CD1 4.41Å; I101-L122 HydrophobicContact CD1-CD1 4.06Å; I101-L122 HydrophobicContact CG1-CD1 3.94Å; I101-L122 HydrophobicContact CG2-CD1 4.13Å; I101-L122 HydrophobicContact CG2-CD2 4.41Å
102S88.3Confident86.3Confident79 Ų7962.2 Ų62.255%0.55233%0.332SS*.Hα-helixtrans-59.5-45.5-179.9-175.80000111.9K98 I99 G100 S106K98-S102 PolarHBondContact O-N 3.41Å; I99-S102 PolarHBondContact O-N 3.22Å; G100-S102 PolarHBondContact O-N 3.18Å; S102-S106 PolarHBondContact O-N 3.48Å
103K87.6Confident86.3Confident36 Ų3657.6 Ų57.616%0.15732%0.318CS..Hα-helixtrans-69.9-43.3178.7-76.5-176.9-178.7173.20112.7E73 I99 G100 I101 L105 S106 S107 R158E73-K103 HydrophobicContact CB-CB 3.93Å; E73-K103 HydrophobicContact CG-CB 4.39Å; E73-K103 WeakPolarHBondContact OE1-CD 3.42Å; E73-K103 VanDerWaalsContact OE2-CD 3.29Å; E73-K103 WeakPolarHBondContact OE2-CD 3.33Å; E73-K103 IonicContact OE2-NZ 2.64Å; I99-K103 HydrophobicContact CG2-CD 4.41Å; I99-K103 PolarHBondContact O-N 3.14Å; G100-K103 PolarHBondContact O-N 3.44Å; I101-K103 PolarHBondContact O-N 2.85Å; K103-L105 VanDerWaalsContact C-N 3.3Å; K103-L105 PolarHBondContact O-N 3.1Å; K103-S106 WeakPolarHBondContact CA-OG 3.46Å; K103-S106 PolarHBondContact O-N 2.97Å; K103-S106 VanDerWaalsContact O-N 3.08Å; K103-S106 PolarHBondContact O-OG 2.92Å; K103-S107 PolarHBondContact O-N 3.17Å; K103-S107 PolarHBondContact O-OG 3.47Å; K103-R158 VanDerWaalsContact NZ-CZ 3.33Å
104A88.5Confident86.3Confident0 Ų061 Ų610%033%0.329CS..Hα-helixtrans-62.7-36.1177.600000112.2E73 G100 I101 K108 W109 I110E73-A104 HydrophobicContact CB-CB 4.12Å; G100-A104 WeakPolarHBondContact O-CB 3.27Å; G100-A104 PolarHBondContact O-N 3.46Å; I101-A104 PolarHBondContact O-N 3.33Å; A104-K108 PolarHBondContact O-N 3.49Å; A104-W109 HydrophobicContact CB-CB 4.37Å; A104-W109 HydrophobicContact CB-CE3 4.36Å; A104-W109 PolarHBondContact O-N 3.38Å; A104-I110 HydrophobicContact CB-CD1 3.56Å; A104-I110 HydrophobicContact CB-CG1 3.78Å; A104-I110 HydrophobicContact CB-CG2 4.3Å
105L89.1Confident86Confident68 Ų6863.4 Ų63.436%0.35634%0.342SS..Hα-helixtrans-64.5-44.6170.3-74.6166.9000111.3I101 K103 S107 K108 I110 L112I101-L105 HydrophobicContact CG2-CD1 3.83Å; I101-L105 HydrophobicContact CG2-CG 4.42Å; I101-L105 WeakPolarHBondContact O-CB 3.37Å; I101-L105 VanDerWaalsContact O-CG 3.3Å; I101-L105 WeakPolarHBondContact O-CG 3.47Å; I101-L105 PolarHBondContact O-N 2.86Å; K103-L105 VanDerWaalsContact C-N 3.3Å; K103-L105 PolarHBondContact O-N 3.1Å; L105-S107 VanDerWaalsContact C-N 3.3Å; L105-S107 PolarHBondContact O-N 3.06Å; L105-K108 PolarHBondContact O-N 3.24Å; L105-K108 VanDerWaalsContact O-N 3.11Å; L105-I110 HydrophobicContact CD2-CG1 3.94Å; L105-I110 WeakPolarHBondContact CD2-O 3.32Å; L105-I110 HydrophobicContact CG-CD1 4.23Å; L105-I110 HydrophobicContact CG-CG1 3.97Å; L105-L112 HydrophobicContact CD2-CB 4.4Å
106S88.1Confident85.8Confident90 Ų9066.9 Ų66.963%0.62935%0.347SS*.Hα-helixtrans-64.6-33.3178.774.30000113.4S102 K103 K108S102-S106 PolarHBondContact O-N 3.48Å; K103-S106 WeakPolarHBondContact CA-OG 3.46Å; K103-S106 PolarHBondContact O-N 2.97Å; K103-S106 VanDerWaalsContact O-N 3.08Å; K103-S106 PolarHBondContact O-OG 2.92Å; S106-K108 VanDerWaalsContact C-N 3.28Å; S106-K108 PolarHBondContact O-N 3.29Å
107S86.6Confident85.5Confident52 Ų5270.6 Ų70.636%0.36438%0.377SS..THydrogen-bonded Turntrans-84.52.8175.8-58.30000113.5K103 L105 W109K103-S107 PolarHBondContact O-N 3.17Å; K103-S107 PolarHBondContact O-OG 3.47Å; L105-S107 VanDerWaalsContact C-N 3.3Å; L105-S107 PolarHBondContact O-N 3.06Å; S107-W109 PolarHBondContact O-N 3.44Å
108K87.5Confident85Confident158 Ų15872.7 Ų72.769%0.68740%0.399SS*.THydrogen-bonded Turntrans56.929.3-177-54.2-179.7-179.4178.70114.2A104 L105 S106 L125A104-K108 PolarHBondContact O-N 3.49Å; L105-K108 PolarHBondContact O-N 3.24Å; L105-K108 VanDerWaalsContact O-N 3.11Å; S106-K108 VanDerWaalsContact C-N 3.28Å; S106-K108 PolarHBondContact O-N 3.29Å; K108-L125 WeakPolarHBondContact O-CB 3.14Å
109W88.9Confident84.7Confident36 Ų3667.6 Ų67.614%0.13638%0.381CS..SBendtrans-79.2-31.2176-63.5-6.4000111.9E73 Y77 A104 S107 L125 V129E73-W109 HydrophobicContact CB-CE3 4.02Å; E73-W109 HydrophobicContact CB-CH2 4.48Å; E73-W109 HydrophobicContact CB-CZ3 3.65Å; E73-W109 HydrophobicContact CG-CE3 4.26Å; E73-W109 HydrophobicContact CG-CH2 3.81Å; E73-W109 HydrophobicContact CG-CZ3 3.43Å; E73-W109 VanDerWaalsContact CG-CZ3 3.43Å; Y77-W109 HydrophobicContact CD2-CB 4.22Å; A104-W109 HydrophobicContact CB-CB 4.37Å; A104-W109 HydrophobicContact CB-CE3 4.36Å; A104-W109 PolarHBondContact O-N 3.38Å; S107-W109 PolarHBondContact O-N 3.44Å; W109-L125 PolarHBondContact O-N 3.43Å; W109-V129 HydrophobicContact CB-CG2 4.29Å; W109-V129 HydrophobicContact CD2-CB 4.4Å; W109-V129 HydrophobicContact CD2-CG1 3.41Å; W109-V129 VanDerWaalsContact CD2-CG1 3.41Å; W109-V129 HydrophobicContact CD2-CG2 4.09Å; W109-V129 HydrophobicContact CE3-CG1 3.58Å; W109-V129 HydrophobicContact CG-CG1 4.11Å; W109-V129 HydrophobicContact CG-CG2 3.94Å; W109-V129 HydrophobicContact CH2-CG1 3.39Å; W109-V129 HydrophobicContact CZ2-CG1 3.23Å; W109-V129 HydrophobicContact CZ3-CG1 3.55Å
110I89.4Confident84.6Confident3 Ų365.7 Ų65.72%0.01538%0.375CS..EExtended strand (participates in β ladder)trans-133.2152.7-176.469.6-179.3000110.2V76 Y77 I80 I101 A104 L105 L122 H123 L125V76-I110 HydrophobicContact CG1-CD1 3.9Å; Y77-I110 HydrophobicContact CD2-CG2 4.23Å; I80-I110 HydrophobicContact CD1-CB 4.08Å; I80-I110 HydrophobicContact CD1-CD1 4.19Å; I80-I110 HydrophobicContact CD1-CG2 3.43Å; I80-I110 VanDerWaalsContact CD1-CG2 3.43Å; I101-I110 HydrophobicContact CG2-CD1 4.41Å; A104-I110 HydrophobicContact CB-CD1 3.56Å; A104-I110 HydrophobicContact CB-CG1 3.78Å; A104-I110 HydrophobicContact CB-CG2 4.3Å; L105-I110 HydrophobicContact CD2-CG1 3.94Å; L105-I110 WeakPolarHBondContact CD2-O 3.32Å; L105-I110 HydrophobicContact CG-CD1 4.23Å; L105-I110 HydrophobicContact CG-CG1 3.97Å; I110-L122 HydrophobicContact CD1-CD1 4.39Å; I110-L122 HydrophobicContact CD1-CD2 3.9Å; I110-L122 HydrophobicContact CG1-CD2 4.34Å; I110-H123 CarbonylContact C-O 3.33Å; I110-H123 WeakPolarHBondContact CA-O 3.4Å; I110-H123 WeakPolarHBondContact CB-O 3.36Å; I110-L125 WeakPolarHBondContact O-CD1 3.14Å
111A87.7Confident84.5Confident28 Ų2866.5 Ų66.523%0.23138%0.38CS..EExtended strand (participates in β ladder)trans-118.7149.5172.900000110.5L122 H123 L125A111-L122 WeakPolarHBondContact O-CA 3.28Å; A111-H123 PolarHBondContact N-O 2.89Å; A111-H123 PolarHBondContact O-CD2 2.95Å; A111-H123 PolarHBondContact O-N 3.39Å; A111-L125 HydrophobicContact CB-CD1 3.81Å; A111-L125 HydrophobicContact CB-CD2 4.21Å; A111-L125 HydrophobicContact CB-CG 3.78Å
112L87.3Confident84.4Confident82 Ų8266.1 Ų66.143%0.42938%0.378SS..EExtended strand (participates in β ladder)trans-103.8115.8172.8-166.382.1000109L105 P120 C121 L122L105-L112 HydrophobicContact CD2-CB 4.4Å; L112-P120 HydrophobicContact CD1-CB 3.88Å; L112-P120 HydrophobicContact CD2-CB 4.21Å; L112-P120 HydrophobicContact CG-CB 4.12Å; L112-C121 WeakPolarHBondContact CA-O 3.24Å; L112-L122 HydrophobicContact CB-CD2 4.24Å; L112-L122 HydrophobicContact CD1-CD2 3.41Å; L112-L122 VanDerWaalsContact CD1-CD2 3.41Å; L112-L122 HydrophobicContact CD1-CG 3.88Å; L112-L122 HydrophobicContact CG-CD2 4.47Å
113T84.4Confident84.3Confident71 Ų7164.6 Ų64.644%0.43636%0.362SS..EExtended strand (participates in β ladder)trans-118.2161.6166.780.30000110.5P120 C121 H123T113-P120 CarbonylContact O-C 3.53Å; T113-P120 WeakPolarHBondContact O-CA 3.31Å; T113-C121 PolarHBondContact N-O 3.13Å; T113-C121 PolarHBondContact O-N 2.8Å; T113-C121 VanDerWaalsContact O-O 3.13Å; T113-H123 VanDerWaalsContact CB-NE2 3.31Å; T113-H123 WeakPolarHBondContact CB-NE2 3.38Å; T113-H123 WeakPolarHBondContact CG2-NE2 3.43Å; T113-H123 PolarHBondContact N-NE2 3.46Å; T113-H123 PolarHBondContact OG1-CE1 2.84Å; T113-H123 PolarHBondContact OG1-NE2 3.47Å
114K82.3Confident84.4Confident165 Ų16567 Ų6772%0.71737%0.37SS*.EExtended strand (participates in β ladder)trans-96.2129.4174.2-65.5-178.7-178.8-179.50108.1V119K114-V119 WeakPolarHBondContact CA-O 3.34Å
115N77.5Confident84.2Confident62 Ų6272 Ų7233%0.33240%0.396SS..  trans-69.5174.9170.370.45.8000110.9A117 G118 V119N115-A117 PolarHBondContact O-N 3.08Å; N115-A117 VanDerWaalsContact O-N 3.08Å; N115-A117 WeakPolarHBondContact OD1-CA 3.33Å; N115-A117 PolarHBondContact OD1-N 3.46Å; N115-A117 VanDerWaalsContact OD1-N 3.13Å; N115-G118 PolarHBondContact O-N 3.11Å; N115-G118 PolarHBondContact OD1-N 3.36Å; N115-G118 VanDerWaalsContact OD1-N 3.17Å; N115-V119 PolarHBondContact N-O 3.29Å; N115-V119 WeakPolarHBondContact OD1-CA 3.34Å; N115-V119 WeakPolarHBondContact OD1-CB 3.46Å; N115-V119 PolarHBondContact OD1-N 2.76Å; N115-V119 PolarHBondContact OD1-O 2.84Å
116E73.2Confident84.1Confident210 Ų21071.6 Ų71.698%0.98140%0.397SS*.THydrogen-bonded Turntrans-57.1-24.8179.4-64.1-177.7166.400113.4G118E116-G118 VanDerWaalsContact C-N 3.33Å
117A74.7Confident83.7Confident84 Ų8473 Ų7369%0.69440%0.403SS*.THydrogen-bonded Turntrans-86.44.6175.300000114.1N115 V119N115-A117 PolarHBondContact O-N 3.08Å; N115-A117 VanDerWaalsContact O-N 3.08Å; N115-A117 WeakPolarHBondContact OD1-CA 3.33Å; N115-A117 PolarHBondContact OD1-N 3.46Å; N115-A117 VanDerWaalsContact OD1-N 3.13Å; A117-V119 VanDerWaalsContact C-N 3.26Å; A117-V119 HydrophobicContact CB-CG2 4.3Å; A117-V119 PolarHBondContact O-N 3.12Å
118G73.7Confident83.5Confident45 Ų4578.5 Ų78.546%0.46442%0.423SS..SBendtrans76.65.6-178.500000115N115 E116N115-G118 PolarHBondContact O-N 3.11Å; N115-G118 PolarHBondContact OD1-N 3.36Å; N115-G118 VanDerWaalsContact OD1-N 3.17Å; E116-G118 VanDerWaalsContact C-N 3.33Å
119V80.6Confident83.4Confident56 Ų5672.1 Ų72.134%0.33940%0.397SS..  trans-79.6130.4178.9-175.20000109.5P86 K114 N115 A117 C121P86-V119 HydrophobicContact CB-CG1 4.33Å; K114-V119 WeakPolarHBondContact CA-O 3.34Å; N115-V119 PolarHBondContact N-O 3.29Å; N115-V119 WeakPolarHBondContact OD1-CA 3.34Å; N115-V119 WeakPolarHBondContact OD1-CB 3.46Å; N115-V119 PolarHBondContact OD1-N 2.76Å; N115-V119 PolarHBondContact OD1-O 2.84Å; A117-V119 VanDerWaalsContact C-N 3.26Å; A117-V119 HydrophobicContact CB-CG2 4.3Å; A117-V119 PolarHBondContact O-N 3.12Å; V119-C121 PolarHBondContact O-N 3.34Å
120P84.4Confident83.3Confident47 Ų4778.5 Ų78.531%0.30543%0.426SS..EExtended strand (participates in β ladder)trans-69.6115.417726.5-32.1000111.1Q87 L112 T113Q87-P120 HydrophobicContact CB-CG 4.44Å; Q87-P120 PolarHBondContact N-O 2.93Å; L112-P120 HydrophobicContact CD1-CB 3.88Å; L112-P120 HydrophobicContact CD2-CB 4.21Å; L112-P120 HydrophobicContact CG-CB 4.12Å; T113-P120 CarbonylContact O-C 3.53Å; T113-P120 WeakPolarHBondContact O-CA 3.31Å
121C86Confident83.2Confident16 Ų1679.1 Ų79.111%0.10843%0.43CS..EExtended strand (participates in β ladder)trans-105.3143174.4-70.60000110.4I85 L112 T113 V119 H123I85-C121 WeakPolarHBondContact O-CA 3.28Å; L112-C121 WeakPolarHBondContact CA-O 3.24Å; T113-C121 PolarHBondContact N-O 3.13Å; T113-C121 PolarHBondContact O-N 2.8Å; T113-C121 VanDerWaalsContact O-O 3.13Å; V119-C121 PolarHBondContact O-N 3.34Å; C121-H123 PolarHBondContact O-NE2 3.48Å
122L86.5Confident83.1Confident0 Ų082.3 Ų82.30%044%0.443CS..EExtended strand (participates in β ladder)trans-100.7137175.1-70.5167.6000109.9I80 G84 I85 Q87 I90 I101 I110 A111 L112I80-L122 HydrophobicContact CD1-CB 4.03Å; I80-L122 HydrophobicContact CG1-CB 4.38Å; G84-L122 WeakPolarHBondContact CA-O 3.43Å; I85-L122 PolarHBondContact N-O 2.87Å; I85-L122 VanDerWaalsContact N-O 3.11Å; I85-L122 PolarHBondContact O-N 3.16Å; Q87-L122 HydrophobicContact CB-CD1 4.3Å; Q87-L122 HydrophobicContact CG-CD1 4.21Å; I90-L122 HydrophobicContact CD1-CB 4.33Å; I90-L122 HydrophobicContact CD1-CD1 3.58Å; I101-L122 HydrophobicContact CD1-CD1 4.06Å; I101-L122 HydrophobicContact CG1-CD1 3.94Å; I101-L122 HydrophobicContact CG2-CD1 4.13Å; I101-L122 HydrophobicContact CG2-CD2 4.41Å; I110-L122 HydrophobicContact CD1-CD1 4.39Å; I110-L122 HydrophobicContact CD1-CD2 3.9Å; I110-L122 HydrophobicContact CG1-CD2 4.34Å; A111-L122 WeakPolarHBondContact O-CA 3.28Å; L112-L122 HydrophobicContact CB-CD2 4.24Å; L112-L122 HydrophobicContact CD1-CD2 3.41Å; L112-L122 VanDerWaalsContact CD1-CD2 3.41Å; L112-L122 HydrophobicContact CD1-CG 3.88Å; L112-L122 HydrophobicContact CG-CD2 4.47Å
123H86.3Confident83.1Confident47 Ų4779.1 Ų79.122%0.21843%0.426CS..EExtended strand (participates in β ladder)trans-130.3151.8176.8-26.5-78.6000109.7I110 A111 T113 C121I110-H123 CarbonylContact C-O 3.33Å; I110-H123 WeakPolarHBondContact CA-O 3.4Å; I110-H123 WeakPolarHBondContact CB-O 3.36Å; A111-H123 PolarHBondContact N-O 2.89Å; A111-H123 PolarHBondContact O-CD2 2.95Å; A111-H123 PolarHBondContact O-N 3.39Å; T113-H123 VanDerWaalsContact CB-NE2 3.31Å; T113-H123 WeakPolarHBondContact CB-NE2 3.38Å; T113-H123 WeakPolarHBondContact CG2-NE2 3.43Å; T113-H123 PolarHBondContact N-NE2 3.46Å; T113-H123 PolarHBondContact OG1-CE1 2.84Å; T113-H123 PolarHBondContact OG1-NE2 3.47Å; C121-H123 PolarHBondContact O-NE2 3.48Å
124R88.7Confident83.3Confident88 Ų8878.6 Ų78.633%0.33242%0.419SS..EExtended strand (participates in β ladder)trans-74.4133.2172-65.7-179.4176.3162.46.4109.9Y77 R78 I80Y77-R124 HydrophobicContact CD2-CG 4.01Å; Y77-R124 HydrophobicContact CE2-CB 4Å; Y77-R124 HydrophobicContact CE2-CG 3.64Å; Y77-R124 VanDerWaalsContact O-CZ 3.28Å; Y77-R124 PolarHBondContact O-NE 2.86Å; Y77-R124 PolarHBondContact O-NH2 2.66Å; R78-R124 PolarHBondContact O-NH2 3.17Å; I80-R124 HydrophobicContact CB-CG 4.16Å; I80-R124 HydrophobicContact CG2-CG 3.99Å; I80-R124 PolarHBondContact O-NE 2.86Å; I80-R124 PolarHBondContact O-NH2 3.19Å
125L85.6Confident83.4Confident104 Ų10476.7 Ų76.755%0.54541%0.413SS..SBendtrans-91.5-29.9173.4-88.1162.9000112.3K108 W109 I110 A111K108-L125 WeakPolarHBondContact O-CB 3.14Å; W109-L125 PolarHBondContact O-N 3.43Å; I110-L125 WeakPolarHBondContact O-CD1 3.14Å; A111-L125 HydrophobicContact CB-CD1 3.81Å; A111-L125 HydrophobicContact CB-CD2 4.21Å; A111-L125 HydrophobicContact CB-CG 3.78Å
126V85.6Confident83.8Confident60 Ų6074.8 Ų74.836%0.36440%0.403SS..SBendtrans-119.7141.6-174.9-167.40000107.7Y77 E128Y77-V126 WeakPolarHBondContact CE2-O 3.33Å; Y77-V126 PolarHBondContact OH-O 2.96Å; V126-E128 VanDerWaalsContact CG1-O 3.3Å; V126-E128 WeakPolarHBondContact CG1-O 3.43Å
127P80.1Confident84.5Confident118 Ų11864.8 Ų64.877%0.76636%0.356SS*.SBendtrans-74.5-29.7-179.425.9-33.6000113.9Y77Y77-P127 PolarHBondContact OH-O 2.91Å
128E83.7Confident85Confident169 Ų16962.2 Ų62.279%0.7933%0.333SS*.  trans-139.3143.9178.6-70.8-172.1166.500111.5Y77 V126Y77-E128 PolarHBondContact OH-N 2.84Å; V126-E128 VanDerWaalsContact CG1-O 3.3Å; V126-E128 WeakPolarHBondContact CG1-O 3.43Å
129V84.5Confident85.5Confident23 Ų2361.1 Ų61.114%0.13932%0.316CS..  trans-136.3140.6-177.3175.90000108.9Y74 Y77 W109Y74-V129 HydrophobicContact CD2-CG1 4.41Å; Y77-V129 HydrophobicContact CD1-CB 4.06Å; Y77-V129 HydrophobicContact CD1-CG2 4.04Å; Y77-V129 HydrophobicContact CD2-CG2 3.8Å; Y77-V129 HydrophobicContact CE1-CB 4Å; Y77-V129 HydrophobicContact CE1-CG2 3.85Å; Y77-V129 HydrophobicContact CE2-CG2 3.57Å; Y77-V129 HydrophobicContact CG-CB 4.39Å; Y77-V129 HydrophobicContact CG-CG2 4.03Å; W109-V129 HydrophobicContact CB-CG2 4.29Å; W109-V129 HydrophobicContact CD2-CB 4.4Å; W109-V129 HydrophobicContact CD2-CG1 3.41Å; W109-V129 VanDerWaalsContact CD2-CG1 3.41Å; W109-V129 HydrophobicContact CD2-CG2 4.09Å; W109-V129 HydrophobicContact CE3-CG1 3.58Å; W109-V129 HydrophobicContact CG-CG1 4.11Å; W109-V129 HydrophobicContact CG-CG2 3.94Å; W109-V129 HydrophobicContact CH2-CG1 3.39Å; W109-V129 HydrophobicContact CZ2-CG1 3.23Å; W109-V129 HydrophobicContact CZ3-CG1 3.55Å
130K86.6Confident85.6Confident170 Ų17059 Ų5974%0.73930%0.304SS*.  trans-100138.7172.9-64.9-176.5179.9-179.20110.4D132K130-D132 PolarHBondContact O-N 2.9Å
131D87.4Confident85.6Confident17 Ų1762.3 Ų62.39%0.09131%0.313CS..  trans-89.476.4179.3-166.5-7.9000111.6G70 S71 Y74 V133 Q134 Q135G70-D131 WeakPolarHBondContact CA-OD2 3.33Å; S71-D131 WeakPolarHBondContact CB-OD1 3.22Å; S71-D131 PolarHBondContact N-OD2 3.34Å; S71-D131 PolarHBondContact OG-OD1 3.05Å; S71-D131 PolarHBondContact OG-OD2 3.44Å; Y74-D131 WeakPolarHBondContact CB-OD2 3.41Å; Y74-D131 HydrophobicContact CD1-CB 4.2Å; Y74-D131 HydrophobicContact CD2-CB 4.04Å; Y74-D131 HydrophobicContact CG-CB 3.85Å; D131-V133 PolarHBondContact O-N 2.89Å; D131-V133 PolarHBondContact OD1-N 3.06Å; D131-Q134 HydrophobicContact CB-CB 4.14Å; D131-Q134 VanDerWaalsContact CG-CB 3.46Å; D131-Q134 PolarHBondContact O-N 2.89Å; D131-Q134 PolarHBondContact OD1-N 2.53Å; D131-Q134 WeakPolarHBondContact OD2-CB 3.32Å; D131-Q135 PolarHBondContact O-N 3.42Å
132D86.2Confident85.3Confident95 Ų9566.6 Ų66.651%0.50833%0.331SS..Hα-helixtrans-58.8-30.1-178.7-59.5-33.6000112.2K130 Q135 L136K130-D132 PolarHBondContact O-N 2.9Å; D132-Q135 PolarHBondContact O-N 2.9Å; D132-L136 WeakPolarHBondContact O-CB 3.42Å; D132-L136 WeakPolarHBondContact O-CG 3.35Å; D132-L136 PolarHBondContact O-N 3.24Å
133V86.6Confident84.8Confident14 Ų1471.5 Ų71.59%0.08537%0.366CS..Hα-helixtrans-72.5-42.8-177179.30000111I66 D131 Q135 L136 L137 L160I66-V133 HydrophobicContact CG2-CG1 4.48Å; D131-V133 PolarHBondContact O-N 2.89Å; D131-V133 PolarHBondContact OD1-N 3.06Å; V133-Q135 VanDerWaalsContact C-N 3.3Å; V133-Q135 PolarHBondContact O-N 2.9Å; V133-L136 PolarHBondContact O-N 3.19Å; V133-L137 HydrophobicContact CG1-CD1 4.25Å; V133-L137 WeakPolarHBondContact O-CG 3.38Å; V133-L137 PolarHBondContact O-N 3.09Å; V133-L160 HydrophobicContact CG1-CD1 3.75Å
134Q88.3Confident83.9Confident60 Ų6076.9 Ų76.928%0.2838%0.384SS..Hα-helixtrans-62.8-40.7174.9-173.3-177.527.400110.8L67 D131 L137 S138L67-Q134 PolarHBondContact O-NE2 2.91Å; D131-Q134 HydrophobicContact CB-CB 4.14Å; D131-Q134 VanDerWaalsContact CG-CB 3.46Å; D131-Q134 PolarHBondContact O-N 2.89Å; D131-Q134 PolarHBondContact OD1-N 2.53Å; D131-Q134 WeakPolarHBondContact OD2-CB 3.32Å; Q134-L137 PolarHBondContact O-N 3.45Å; Q134-S138 PolarHBondContact O-N 3.32Å
135Q86.1Confident83.2Confident125 Ų12577 Ų7758%0.58438%0.384SS*.Hα-helixtrans-64.7-41.6177.6-163.6167.56.600111.8D131 D132 V133 L137 S138 D139D131-Q135 PolarHBondContact O-N 3.42Å; D132-Q135 PolarHBondContact O-N 2.9Å; V133-Q135 VanDerWaalsContact C-N 3.3Å; V133-Q135 PolarHBondContact O-N 2.9Å; Q135-L137 PolarHBondContact O-N 2.87Å; Q135-S138 WeakPolarHBondContact O-CB 3.27Å; Q135-S138 PolarHBondContact O-N 2.91Å; Q135-D139 PolarHBondContact O-N 2.76Å
136L85.8Confident82.4Confident23 Ų2377.9 Ų77.912%0.1240%0.396CS..Hα-helixtrans-59.8-42.1173.4-76.4167.1000112.9D132 V133 S138 D139 V140 L147 E151 L155D132-L136 WeakPolarHBondContact O-CB 3.42Å; D132-L136 WeakPolarHBondContact O-CG 3.35Å; D132-L136 PolarHBondContact O-N 3.24Å; V133-L136 PolarHBondContact O-N 3.19Å; L136-S138 VanDerWaalsContact C-N 3.33Å; L136-D139 WeakPolarHBondContact O-CB 3.35Å; L136-D139 PolarHBondContact O-N 3.26Å; L136-V140 WeakPolarHBondContact O-CG2 3.46Å; L136-V140 PolarHBondContact O-N 3.04Å; L136-V140 VanDerWaalsContact O-N 3.08Å; L136-L147 HydrophobicContact CD2-CD2 3.6Å; L136-E151 HydrophobicContact CD2-CB 4.3Å; L136-E151 HydrophobicContact CD2-CG 4.25Å; L136-E151 WeakPolarHBondContact CD2-OE2 3.19Å; L136-L155 HydrophobicContact CB-CD1 4.34Å; L136-L155 HydrophobicContact CB-CD2 4.43Å
137L86.6Confident81.9Confident0 Ų075.7 Ų75.70%038%0.383CS..Hα-helixtrans-69.7-32.4178.3-67.3166.3000112.1L59 I66 L67 V133 Q134 Q135 V140 K141 L155 L160 V161L59-L137 HydrophobicContact CD2-CB 3.92Å; L59-L137 HydrophobicContact CD2-CD2 3.31Å; L59-L137 HydrophobicContact CD2-CG 4.13Å; I66-L137 HydrophobicContact CB-CD1 4Å; I66-L137 HydrophobicContact CG2-CD1 3.44Å; I66-L137 VanDerWaalsContact CG2-CD1 3.44Å; L67-L137 HydrophobicContact CD1-CB 3.99Å; V133-L137 HydrophobicContact CG1-CD1 4.25Å; V133-L137 WeakPolarHBondContact O-CG 3.38Å; V133-L137 PolarHBondContact O-N 3.09Å; Q134-L137 PolarHBondContact O-N 3.45Å; Q135-L137 PolarHBondContact O-N 2.87Å; L137-V140 WeakPolarHBondContact O-CB 3.49Å; L137-V140 PolarHBondContact O-N 3.37Å; L137-K141 PolarHBondContact O-N 2.98Å; L137-L155 HydrophobicContact CD2-CD1 4.48Å; L137-L155 HydrophobicContact CD2-CD2 4.12Å; L137-L155 HydrophobicContact CG-CD2 4.43Å; L137-L160 HydrophobicContact CD1-CD1 4.24Å; L137-L160 HydrophobicContact CD2-CB 3.81Å; L137-V161 HydrophobicContact CD2-CG1 3.93Å
138S85.9Confident81.9Confident30 Ų3073.1 Ų73.121%0.2137%0.366CS..Hα-helixtrans-64.5-42.4172179.10000111.1L67 Q134 Q135 L136 V140 K141 E142L67-S138 VanDerWaalsContact CD1-N 3.33Å; Q134-S138 PolarHBondContact O-N 3.32Å; Q135-S138 WeakPolarHBondContact O-CB 3.27Å; Q135-S138 PolarHBondContact O-N 2.91Å; L136-S138 VanDerWaalsContact C-N 3.33Å; S138-V140 VanDerWaalsContact C-N 3.31Å; S138-V140 PolarHBondContact O-N 3.44Å; S138-K141 PolarHBondContact O-N 3.26Å; S138-E142 PolarHBondContact O-N 3.47Å
139D85Confident81.8Confident21 Ų2171.2 Ų71.211%0.11236%0.361CS..Hα-helixtrans-62.1-36.5174.7-71.8-20.5000112.3Q135 L136 S143 R144 R145Q135-D139 PolarHBondContact O-N 2.76Å; L136-D139 WeakPolarHBondContact O-CB 3.35Å; L136-D139 PolarHBondContact O-N 3.26Å; D139-S143 WeakPolarHBondContact O-CA 3.32Å; D139-S143 PolarHBondContact O-N 2.92Å; D139-R144 PolarHBondContact O-N 3.42Å; D139-R145 HydrophobicContact CB-CG 4.16Å; D139-R145 IonicContact OD2-CZ 3.59Å; D139-R145 IonicContact OD2-NE 2.63Å; D139-R145 PolarHBondContact OD2-NE 2.85Å; D139-R145 IonicContact OD2-NH2 2.92Å
140V82.5Confident81.7Confident13 Ų1376.1 Ų76.18%0.07939%0.387CS..Hα-helixtrans-63.7-50.2173.2177.10000110.9L57 L59 L136 L137 S138 E142 S143 L147 L155 V161L57-V140 HydrophobicContact CB-CG1 4.23Å; L59-V140 HydrophobicContact CG-CG1 4.43Å; L136-V140 WeakPolarHBondContact O-CG2 3.46Å; L136-V140 PolarHBondContact O-N 3.04Å; L136-V140 VanDerWaalsContact O-N 3.08Å; L137-V140 WeakPolarHBondContact O-CB 3.49Å; L137-V140 PolarHBondContact O-N 3.37Å; S138-V140 VanDerWaalsContact C-N 3.31Å; S138-V140 PolarHBondContact O-N 3.44Å; V140-E142 PolarHBondContact O-N 2.87Å; V140-S143 PolarHBondContact O-N 3.36Å; V140-L147 HydrophobicContact CB-CD1 4.31Å; V140-L147 HydrophobicContact CG2-CD1 3.27Å; V140-L155 HydrophobicContact CG2-CD1 3.97Å; V140-V161 HydrophobicContact CG1-CG1 4.2Å; V140-V161 HydrophobicContact CG2-CG1 4.21Å
141K83.8Confident81.6Confident115 Ų11570.4 Ų70.450%0.536%0.363SS..Hα-helixtrans-63.6-41.4-174.7-164.7166.8-175.6163.30112.4L59 D64 L67 L137 S138L59-K141 HydrophobicContact CD1-CB 3.73Å; L59-K141 HydrophobicContact CD1-CD 3.83Å; L59-K141 HydrophobicContact CD1-CG 3.92Å; D64-K141 IonicContact OD1-NZ 3.55Å; D64-K141 PolarHBondContact OD1-NZ 2.93Å; L67-K141 HydrophobicContact CD2-CB 4.34Å; L67-K141 HydrophobicContact CD2-CD 3.3Å; L67-K141 HydrophobicContact CD2-CG 4.44Å; L137-K141 PolarHBondContact O-N 2.98Å; S138-K141 PolarHBondContact O-N 3.26Å
142E79.4Confident81.3Confident106 Ų10672.4 Ų72.450%0.49537%0.371SS..Hα-helixtrans-92.7-1.6-176.7-66.1-169-143.800113.4S138 V140 R144S138-E142 PolarHBondContact O-N 3.47Å; V140-E142 PolarHBondContact O-N 2.87Å; E142-R144 HydrophobicContact CB-CG 3.76Å; E142-R144 PolarHBondContact O-N 3.39Å; E142-R144 VanDerWaalsContact O-N 3.09Å; E142-R144 IonicContact OE1-CZ 3.25Å; E142-R144 IonicContact OE1-NE 3.72Å; E142-R144 IonicContact OE1-NH2 2.81Å; E142-R144 PolarHBondContact OE1-NH2 3.3Å; E142-R144 IonicContact OE2-CZ 3.11Å; E142-R144 IonicContact OE2-NE 3.68Å; E142-R144 PolarHBondContact OE2-NE 2.92Å; E142-R144 IonicContact OE2-NH2 3.94Å; E142-R144 PolarHBondContact OE2-NH2 2.82Å
143S75.3Confident81.1Confident103 Ų10370.1 Ų70.172%0.7236%0.362SS*.THydrogen-bonded Turntrans51.530.6-176-59.70000113.5D139 V140 R145D139-S143 WeakPolarHBondContact O-CA 3.32Å; D139-S143 PolarHBondContact O-N 2.92Å; V140-S143 PolarHBondContact O-N 3.36Å; S143-R145 VanDerWaalsContact C-N 3.33Å; S143-R145 PolarHBondContact O-N 2.93Å
144R68.6Low81Confident160 Ų16074.6 Ų74.660%0.60438%0.382SS*.  trans-65.4-33.2-173-77.5179.1-177.9178.55.9113.2D139 E142D139-R144 PolarHBondContact O-N 3.42Å; E142-R144 HydrophobicContact CB-CG 3.76Å; E142-R144 PolarHBondContact O-N 3.39Å; E142-R144 VanDerWaalsContact O-N 3.09Å; E142-R144 IonicContact OE1-CZ 3.25Å; E142-R144 IonicContact OE1-NE 3.72Å; E142-R144 IonicContact OE1-NH2 2.81Å; E142-R144 PolarHBondContact OE1-NH2 3.3Å; E142-R144 IonicContact OE2-CZ 3.11Å; E142-R144 IonicContact OE2-NE 3.68Å; E142-R144 PolarHBondContact OE2-NE 2.92Å; E142-R144 IonicContact OE2-NH2 3.94Å; E142-R144 PolarHBondContact OE2-NH2 2.82Å
145R72.8Confident80.8Confident90 Ų9072 Ų7234%0.3437%0.37SS..SBendtrans-144.3147.1178.770.7177.5-178.2106.60.6112.4D139 S143 L147 E151D139-R145 HydrophobicContact CB-CG 4.16Å; D139-R145 IonicContact OD2-CZ 3.59Å; D139-R145 IonicContact OD2-NE 2.63Å; D139-R145 PolarHBondContact OD2-NE 2.85Å; D139-R145 IonicContact OD2-NH2 2.92Å; S143-R145 VanDerWaalsContact C-N 3.33Å; S143-R145 PolarHBondContact O-N 2.93Å; R145-L147 PolarHBondContact O-N 3.13Å; R145-E151 IonicContact CZ-OE2 2.66Å; R145-E151 VanDerWaalsContact CZ-OE2 3.32Å; R145-E151 IonicContact NH1-OE1 2.66Å; R145-E151 IonicContact NH1-OE2 2.78Å; R145-E151 PolarHBondContact NH1-OE2 3.47Å; R145-E151 VanDerWaalsContact NH1-OE2 3.11Å; R145-E151 IonicContact NH2-OE1 2.62Å; R145-E151 IonicContact NH2-OE2 3.87Å; R145-E151 PolarHBondContact NH2-OE2 2.93Å
146P69.9Low80.8Confident123 Ų12369.9 Ų69.980%0.79936%0.359SS*.PPolyproline II helixtrans-64.3120166.225.7-30.6000109.4
147L74.1Confident80.7Confident14 Ų1477.5 Ų77.57%0.07339%0.391CS..PPolyproline II helixtrans-76.7126.9176.3-68.9146.6000109.6L136 V140 R145 E151 K152L136-L147 HydrophobicContact CD2-CD2 3.6Å; V140-L147 HydrophobicContact CB-CD1 4.31Å; V140-L147 HydrophobicContact CG2-CD1 3.27Å; R145-L147 PolarHBondContact O-N 3.13Å; L147-E151 HydrophobicContact CD2-CB 4.38Å; L147-E151 WeakPolarHBondContact CD2-OE2 3.49Å; L147-K152 HydrophobicContact CB-CD 4.45Å; L147-K152 HydrophobicContact CB-CG 3.76Å; L147-K152 WeakPolarHBondContact O-CE 3.49Å
148P80.8Confident80.6Confident64 Ų6480.8 Ų80.842%0.41640%0.403SS..PPolyproline II helixtrans-53.7148.4170.2-23.131.8000111.9N150 E151 K152P148-N150 PolarHBondContact O-N 2.66Å; P148-N150 VanDerWaalsContact O-N 3.1Å; P148-E151 WeakPolarHBondContact CD-OE2 3.4Å; P148-E151 PolarHBondContact O-N 2.91Å; P148-K152 PolarHBondContact O-N 2.76Å; P148-K152 VanDerWaalsContact O-N 3.1Å
149D81Confident80.5Confident129 Ų12986.8 Ų86.869%0.6943%0.426SS*.Hα-helixtrans-57-32-176.9-70.4-32.2000113.3S153D149-S153 VanDerWaalsContact O-CB 3.28Å; D149-S153 WeakPolarHBondContact O-CB 3.39Å; D149-S153 PolarHBondContact O-N 3.47Å; D149-S153 PolarHBondContact O-OG 3.22Å
150N83.6Confident80.6Confident126 Ų12686 Ų8667%0.67442%0.421SS*.Hα-helixtrans-61.1-46.6174.3-76.4-14.6000112P148 S153 Q154P148-N150 PolarHBondContact O-N 2.66Å; P148-N150 VanDerWaalsContact O-N 3.1Å; N150-S153 PolarHBondContact O-N 2.68Å; N150-S153 PolarHBondContact O-OG 3.1Å; N150-Q154 WeakPolarHBondContact O-CG 3.36Å; N150-Q154 PolarHBondContact O-N 2.86Å; N150-Q154 VanDerWaalsContact O-N 3.09Å
151E83Confident80.8Confident51 Ų5185.6 Ų85.624%0.23842%0.419CS..Hα-helixtrans-67.5-44179.4-66.6177.2-169.300111L136 R145 L147 P148 S153 Q154 L155L136-E151 HydrophobicContact CD2-CB 4.3Å; L136-E151 HydrophobicContact CD2-CG 4.25Å; L136-E151 WeakPolarHBondContact CD2-OE2 3.19Å; R145-E151 IonicContact CZ-OE2 2.66Å; R145-E151 VanDerWaalsContact CZ-OE2 3.32Å; R145-E151 IonicContact NH1-OE1 2.66Å; R145-E151 IonicContact NH1-OE2 2.78Å; R145-E151 PolarHBondContact NH1-OE2 3.47Å; R145-E151 VanDerWaalsContact NH1-OE2 3.11Å; R145-E151 IonicContact NH2-OE1 2.62Å; R145-E151 IonicContact NH2-OE2 3.87Å; R145-E151 PolarHBondContact NH2-OE2 2.93Å; L147-E151 HydrophobicContact CD2-CB 4.38Å; L147-E151 WeakPolarHBondContact CD2-OE2 3.49Å; P148-E151 WeakPolarHBondContact CD-OE2 3.4Å; P148-E151 PolarHBondContact O-N 2.91Å; E151-S153 VanDerWaalsContact C-N 3.31Å; E151-S153 PolarHBondContact O-N 3.44Å; E151-Q154 PolarHBondContact O-N 3.16Å; E151-Q154 VanDerWaalsContact O-N 3.17Å; E151-L155 WeakPolarHBondContact O-CG 3.27Å; E151-L155 PolarHBondContact O-N 3.11Å
152K82Confident80.9Confident59 Ų5983.2 Ų83.226%0.25741%0.414SS..Hα-helixtrans-56.7-45.1173.4-70.9179.9175.8179.30111.7L57 L147 P148 Q154 L155 K156L57-K152 HydrophobicContact CD1-CD 3.69Å; L57-K152 VanDerWaalsContact CD1-CE 3.41Å; L57-K152 HydrophobicContact CD1-CG 3.84Å; L147-K152 HydrophobicContact CB-CD 4.45Å; L147-K152 HydrophobicContact CB-CG 3.76Å; L147-K152 WeakPolarHBondContact O-CE 3.49Å; P148-K152 PolarHBondContact O-N 2.76Å; P148-K152 VanDerWaalsContact O-N 3.1Å; K152-Q154 VanDerWaalsContact C-N 3.3Å; K152-Q154 PolarHBondContact O-N 2.74Å; K152-L155 PolarHBondContact O-N 3.03Å; K152-K156 WeakPolarHBondContact O-CB 3.47Å; K152-K156 WeakPolarHBondContact O-CG 3.29Å; K152-K156 PolarHBondContact O-N 3.11Å
153S82.3Confident81.2Confident47 Ų4781.6 Ų81.633%0.32941%0.407SS..Hα-helixtrans-63.8-36.4179.781.20000112.3D149 N150 E151 K157D149-S153 VanDerWaalsContact O-CB 3.28Å; D149-S153 WeakPolarHBondContact O-CB 3.39Å; D149-S153 PolarHBondContact O-N 3.47Å; D149-S153 PolarHBondContact O-OG 3.22Å; N150-S153 PolarHBondContact O-N 2.68Å; N150-S153 PolarHBondContact O-OG 3.1Å; E151-S153 VanDerWaalsContact C-N 3.31Å; E151-S153 PolarHBondContact O-N 3.44Å; S153-K157 WeakPolarHBondContact O-CB 3.44Å; S153-K157 WeakPolarHBondContact O-CG 3.28Å; S153-K157 PolarHBondContact O-N 2.91Å
154Q83.7Confident81.5Confident108 Ų10881.1 Ų81.151%0.50540%0.395SS..Hα-helixtrans-69.6-45.5177.1-73.5-173.55.500111.8N150 E151 K152 K156 K157 R158N150-Q154 WeakPolarHBondContact O-CG 3.36Å; N150-Q154 PolarHBondContact O-N 2.86Å; N150-Q154 VanDerWaalsContact O-N 3.09Å; E151-Q154 PolarHBondContact O-N 3.16Å; E151-Q154 VanDerWaalsContact O-N 3.17Å; K152-Q154 VanDerWaalsContact C-N 3.3Å; K152-Q154 PolarHBondContact O-N 2.74Å; Q154-K156 VanDerWaalsContact C-N 3.34Å; Q154-K156 PolarHBondContact O-N 2.89Å; Q154-K157 PolarHBondContact O-N 3.33Å; Q154-R158 WeakPolarHBondContact O-CB 3.4Å; Q154-R158 VanDerWaalsContact O-CG 3.25Å; Q154-R158 WeakPolarHBondContact O-CG 3.37Å; Q154-R158 PolarHBondContact O-N 3.18Å
155L85.6Confident82.2Confident4 Ų480.5 Ų80.52%0.02140%0.397CS..Hα-helixtrans-62.6-40.6177.2-66.1177.5000111.6L136 L137 V140 E151 K152 R158 K159 L160 V161L136-L155 HydrophobicContact CB-CD1 4.34Å; L136-L155 HydrophobicContact CB-CD2 4.43Å; L137-L155 HydrophobicContact CD2-CD1 4.48Å; L137-L155 HydrophobicContact CD2-CD2 4.12Å; L137-L155 HydrophobicContact CG-CD2 4.43Å; V140-L155 HydrophobicContact CG2-CD1 3.97Å; E151-L155 WeakPolarHBondContact O-CG 3.27Å; E151-L155 PolarHBondContact O-N 3.11Å; K152-L155 PolarHBondContact O-N 3.03Å; L155-R158 CarbonylContact O-C 3.51Å; L155-R158 PolarHBondContact O-N 2.87Å; L155-K159 PolarHBondContact O-N 3.18Å; L155-L160 HydrophobicContact CD2-CD1 4.21Å; L155-L160 PolarHBondContact O-N 3.04Å; L155-V161 HydrophobicContact CB-CG1 4.24Å; L155-V161 HydrophobicContact CB-CG2 3.56Å; L155-V161 HydrophobicContact CD1-CG1 4.27Å
156K85Confident82.7Confident82 Ų8280.3 Ų80.336%0.35740%0.4SS..Hα-helixtrans-62.8-47.3173.3-77.9-178.9178.9179.30112.9K152 Q154 R158 K159 V161 E163K152-K156 WeakPolarHBondContact O-CB 3.47Å; K152-K156 WeakPolarHBondContact O-CG 3.29Å; K152-K156 PolarHBondContact O-N 3.11Å; Q154-K156 VanDerWaalsContact C-N 3.34Å; Q154-K156 PolarHBondContact O-N 2.89Å; K156-R158 PolarHBondContact O-N 3.15Å; K156-K159 PolarHBondContact O-N 3.13Å; K156-V161 HydrophobicContact CG-CG2 4Å; K156-E163 WeakPolarHBondContact CE-OE1 3.5Å; K156-E163 WeakPolarHBondContact CE-OE2 3.35Å; K156-E163 IonicContact NZ-OE1 3.8Å; K156-E163 PolarHBondContact NZ-OE1 3.38Å; K156-E163 IonicContact NZ-OE2 3.15Å; K156-E163 PolarHBondContact NZ-OE2 2.81Å
157K84.3Confident83.4Confident182 Ų18276.9 Ų76.979%0.79138%0.377SS*.Hα-helixtrans-59.2-32.3176.8-81.6-178.7-179.4179.30111.7S153 Q154 K159S153-K157 WeakPolarHBondContact O-CB 3.44Å; S153-K157 WeakPolarHBondContact O-CG 3.28Å; S153-K157 PolarHBondContact O-N 2.91Å; Q154-K157 PolarHBondContact O-N 3.33Å; K157-K159 VanDerWaalsContact C-N 3.29Å
158R83.6Confident84.2Confident70 Ų7076.3 Ų76.326%0.26437%0.374SS..THydrogen-bonded Turntrans-82-1.2175.6-67.2171.6172.3-134.21.1113.7E73 K103 Q154 L155 K156 L160E73-R158 IonicContact OE1-CZ 3.6Å; E73-R158 IonicContact OE1-NH1 3.29Å; E73-R158 PolarHBondContact OE1-NH1 3.05Å; E73-R158 IonicContact OE1-NH2 3.33Å; K103-R158 VanDerWaalsContact NZ-CZ 3.33Å; Q154-R158 WeakPolarHBondContact O-CB 3.4Å; Q154-R158 VanDerWaalsContact O-CG 3.25Å; Q154-R158 WeakPolarHBondContact O-CG 3.37Å; Q154-R158 PolarHBondContact O-N 3.18Å; L155-R158 CarbonylContact O-C 3.51Å; L155-R158 PolarHBondContact O-N 2.87Å; K156-R158 PolarHBondContact O-N 3.15Å; R158-L160 HydrophobicContact CB-CD1 3.88Å; R158-L160 HydrophobicContact CB-CG 3.75Å; R158-L160 PolarHBondContact O-N 3.09Å
159K85.2Confident84.6Confident156 Ų15674.6 Ų74.668%0.67836%0.359SS*.THydrogen-bonded Turntrans57.628.1-176.2-57.6-177.5177.1-177.50114.6T60 L155 K156 K157T60-K159 WeakPolarHBondContact CG2-O 3.47Å; T60-K159 PolarHBondContact OG1-O 2.64Å; L155-K159 PolarHBondContact O-N 3.18Å; K156-K159 PolarHBondContact O-N 3.13Å; K157-K159 VanDerWaalsContact C-N 3.29Å
160L86Confident85.1Confident3 Ų369.9 Ų69.92%0.01633%0.334CS..SBendtrans-90.2-18.2-179.2-55.7-179.1000113.1T60 E62 I66 V133 L137 L155 R158T60-L160 PolarHBondContact N-O 3.15Å; T60-L160 VanDerWaalsContact N-O 3.12Å; T60-L160 VanDerWaalsContact OG1-C 3.27Å; T60-L160 WeakPolarHBondContact OG1-CA 3.22Å; T60-L160 PolarHBondContact OG1-O 3.33Å; E62-L160 HydrophobicContact CG-CD2 4.2Å; I66-L160 HydrophobicContact CD1-CD1 4.24Å; I66-L160 HydrophobicContact CD1-CD2 3.34Å; I66-L160 HydrophobicContact CD1-CG 4.42Å; V133-L160 HydrophobicContact CG1-CD1 3.75Å; L137-L160 HydrophobicContact CD1-CD1 4.24Å; L137-L160 HydrophobicContact CD2-CB 3.81Å; L155-L160 HydrophobicContact CD2-CD1 4.21Å; L155-L160 PolarHBondContact O-N 3.04Å; R158-L160 HydrophobicContact CB-CD1 3.88Å; R158-L160 HydrophobicContact CB-CG 3.75Å; R158-L160 PolarHBondContact O-N 3.09Å
161V87.6Confident85.5Confident6 Ų663.9 Ų63.94%0.03630%0.302CS..EExtended strand (participates in β ladder)trans-137.6146.7177.1-61.40000109.9L57 Q58 L59 L137 V140 L155 K156L57-V161 HydrophobicContact CD2-CB 4.14Å; L57-V161 HydrophobicContact CD2-CG2 3.84Å; Q58-V161 CarbonylContact O-C 3.57Å; Q58-V161 VanDerWaalsContact O-CA 3.23Å; Q58-V161 WeakPolarHBondContact O-CA 3.33Å; L59-V161 HydrophobicContact CD2-CG1 4.19Å; L137-V161 HydrophobicContact CD2-CG1 3.93Å; V140-V161 HydrophobicContact CG1-CG1 4.2Å; V140-V161 HydrophobicContact CG2-CG1 4.21Å; L155-V161 HydrophobicContact CB-CG1 4.24Å; L155-V161 HydrophobicContact CB-CG2 3.56Å; L155-V161 HydrophobicContact CD1-CG1 4.27Å; K156-V161 HydrophobicContact CG-CG2 4Å
162T85.7Confident85.8Confident65 Ų6566.7 Ų66.740%0.39931%0.31SS..EExtended strand (participates in β ladder)trans-118.1147.7171.7410000109.2Q58 T60Q58-T162 PolarHBondContact N-O 3.21Å; Q58-T162 PolarHBondContact O-N 3.02Å; T60-T162 HydrophobicContact CG2-CG2 3.56Å
163E85.8Confident86.2Confident72 Ų7267.9 Ų67.934%0.33632%0.315SS..EExtended strand (participates in β ladder)trans-95.5118.8171.7-81-178.5173.100109.6V55 I56 L57 K156V55-E163 HydrophobicContact CG1-CB 3.74Å; V55-E163 VanDerWaalsContact CG1-CD 3.48Å; V55-E163 HydrophobicContact CG1-CG 3.65Å; I56-E163 WeakPolarHBondContact O-CA 3.48Å; L57-E163 HydrophobicContact CD2-CG 3.6Å; L57-E163 HydrophobicContact CG-CG 4.08Å; K156-E163 WeakPolarHBondContact CE-OE1 3.5Å; K156-E163 WeakPolarHBondContact CE-OE2 3.35Å; K156-E163 IonicContact NZ-OE1 3.8Å; K156-E163 PolarHBondContact NZ-OE1 3.38Å; K156-E163 IonicContact NZ-OE2 3.15Å; K156-E163 PolarHBondContact NZ-OE2 2.81Å
164L81.5Confident86.3Confident92 Ų9266 Ų6648%0.48230%0.304SS..EExtended strand (participates in β ladder)trans-89.5119.6165.9-70.4-175.2000108.8I56 Q58I56-L164 PolarHBondContact N-O 3.15Å; I56-L164 PolarHBondContact O-N 3.2Å; Q58-L164 HydrophobicContact CB-CD1 4.44Å
165K82.7Confident86.2Confident148 Ų14866.2 Ų66.264%0.64331%0.314SS*.EExtended strand (participates in β ladder)trans-91105.9173.2-64.2-173176.6-176.70108.7V53 V55V53-K165 HydrophobicContact CG1-CB 4.25Å; V55-K165 HydrophobicContact CG2-CG 4.26Å
166H83.2Confident85.9Confident85 Ų8569.5 Ų69.539%0.39434%0.338SS..EExtended strand (participates in β ladder)trans-87.8109.2169-165162.7000107.9E54E54-H166 PolarHBondContact N-O 2.88Å; E54-H166 PolarHBondContact O-N 3.3Å
167T86Confident85.8Confident52 Ų5268 Ų6832%0.31933%0.332SS..EExtended strand (participates in β ladder)trans-96.8119.3176-52.80000108.8H30 V53 Y169H30-T167 PolarHBondContact CE1-O 3.08Å; V53-T167 HydrophobicContact CG2-CG2 4.06Å; T167-Y169 HydrophobicContact CG2-CE2 4.5Å
168S89.1Confident85.5Confident1 Ų161.6 Ų61.61%0.00731%0.31CS..EExtended strand (participates in β ladder)trans-116.5158.4173.461.10000109K18 V52K18-S168 WeakPolarHBondContact CE-OG 3.45Å; V52-S168 WeakPolarHBondContact CA-O 3.34Å; V52-S168 PolarHBondContact N-O 3.03Å; V52-S168 PolarHBondContact O-N 3.42Å; V52-S168 VanDerWaalsContact O-O 3.13Å; V52-S168 PolarHBondContact O-OG 2.8Å
169Y90.3Very high85.2Confident29 Ų2961.9 Ų61.911%0.11432%0.319CS..EExtended strand (participates in β ladder)trans-114.7128.5-178.1-63.6-90.8000109.7S19 V34 D51 T167S19-Y169 PolarHBondContact N-O 3.03Å; S19-Y169 PolarHBondContact OG-N 3.42Å; S19-Y169 PolarHBondContact OG-O 2.74Å; V34-Y169 HydrophobicContact CB-CE2 4.22Å; V34-Y169 HydrophobicContact CG1-CD2 4.27Å; V34-Y169 HydrophobicContact CG1-CE2 3.54Å; V34-Y169 HydrophobicContact CG2-CD2 3.78Å; V34-Y169 HydrophobicContact CG2-CE2 3.68Å; D51-Y169 WeakPolarHBondContact OD1-CD1 3.17Å; D51-Y169 WeakPolarHBondContact OD1-CE1 3.37Å; T167-Y169 HydrophobicContact CG2-CE2 4.5Å
170L91.7Very high84.6Confident29 Ų2960 Ų6015%0.15232%0.317CS..EExtended strand (participates in β ladder)trans-89.7109.1167.6-17771.1000108Y16 C49 E50 V52Y16-L170 HydrophobicContact CD2-CD1 3.5Å; Y16-L170 HydrophobicContact CE2-CD1 4.12Å; Y16-L170 HydrophobicContact CG-CD1 4.32Å; C49-L170 WeakPolarHBondContact CA-O 3.3Å; E50-L170 HydrophobicContact CB-CB 4.31Å; E50-L170 PolarHBondContact N-O 3.3Å; E50-L170 PolarHBondContact O-N 3.41Å; V52-L170 HydrophobicContact CG2-CB 4.05Å
171V90.9Very high83.7Confident0 Ų061.7 Ų61.70%033%0.325CS..EExtended strand (participates in β ladder)trans-103.2130.6-174.6-171.10000109.5L11 Y16 F17 I37 I47L11-V171 HydrophobicContact CD1-CG1 3.97Å; L11-V171 HydrophobicContact CD2-CG1 4.36Å; Y16-V171 CarbonylContact C-O 3.53Å; Y16-V171 WeakPolarHBondContact CA-O 3.38Å; Y16-V171 WeakPolarHBondContact CB-O 3.45Å; F17-V171 HydrophobicContact CD1-CB 4.27Å; F17-V171 HydrophobicContact CE1-CB 3.73Å; F17-V171 HydrophobicContact CE1-CG1 3.93Å; F17-V171 HydrophobicContact CE1-CG2 4.33Å; F17-V171 HydrophobicContact CE2-CB 4.09Å; F17-V171 HydrophobicContact CE2-CG2 3.9Å; F17-V171 HydrophobicContact CZ-CB 3.62Å; F17-V171 HydrophobicContact CZ-CG1 4Å; F17-V171 HydrophobicContact CZ-CG2 3.69Å; F17-V171 PolarHBondContact N-O 2.81Å; F17-V171 PolarHBondContact O-N 2.84Å; I37-V171 HydrophobicContact CD1-CG2 3.5Å; I37-V171 HydrophobicContact CG1-CG2 3.9Å; I37-V171 HydrophobicContact CG2-CG2 4.13Å; I47-V171 HydrophobicContact CB-CG1 4.12Å; I47-V171 HydrophobicContact CD1-CG1 4.1Å; I47-V171 HydrophobicContact CG2-CG1 4.32Å
172R90.7Very high82.7Confident110 Ų11070 Ų7042%0.41536%0.361SS..EExtended strand (participates in β ladder)trans-126162.2178.9-52.9-173.6-171-175.48.8110.7I47 Q48 E50 G174I47-R172 WeakPolarHBondContact CA-O 3.24Å; Q48-R172 HydrophobicContact CB-CB 4.34Å; Q48-R172 PolarHBondContact N-O 2.78Å; Q48-R172 PolarHBondContact O-N 3.13Å; E50-R172 IonicContact OE2-CZ 3.01Å; E50-R172 IonicContact OE2-NH2 2.82Å; E50-R172 PolarHBondContact OE2-NH2 2.95Å; E50-R172 VanDerWaalsContact OE2-NH2 3.15Å; R172-G174 PolarHBondContact O-N 2.9Å
173K88.8Confident81.8Confident84 Ų8471.2 Ų71.237%0.36537%0.372SS..EExtended strand (participates in β ladder)trans-63.8126.8169.6-66.3-178.1-178.4174.30110L11 F177L11-K173 HydrophobicContact CB-CG 4.41Å; L11-K173 WeakPolarHBondContact O-CE 3.41Å; L11-K173 PolarHBondContact O-NZ 3.19Å; K173-F177 HydrophobicContact CB-CB 4.11Å; K173-F177 HydrophobicContact CB-CD2 4.28Å; K173-F177 HydrophobicContact CB-CG 4.13Å; K173-F177 HydrophobicContact CD-CD1 4.06Å; K173-F177 HydrophobicContact CD-CE1 4.31Å; K173-F177 HydrophobicContact CD-CG 4.27Å; K173-F177 HydrophobicContact CG-CB 4.44Å; K173-F177 HydrophobicContact CG-CD1 4.2Å; K173-F177 HydrophobicContact CG-CD2 3.98Å; K173-F177 HydrophobicContact CG-CE1 4.47Å; K173-F177 HydrophobicContact CG-CE2 4.27Å; K173-F177 HydrophobicContact CG-CG 3.94Å
174G85.2Confident81.4Confident9 Ų971.9 Ų71.99%0.09338%0.375CS..  trans-79172.5168.500000112.2G45 I46 R172 S176 F177G45-G174 CarbonylContact O-C 3.39Å; G45-G174 VanDerWaalsContact O-CA 3.24Å; G45-G174 WeakPolarHBondContact O-CA 3.49Å; I46-G174 PolarHBondContact O-N 3.42Å; R172-G174 PolarHBondContact O-N 2.9Å; G174-S176 PolarHBondContact O-N 3.29Å; G174-F177 WeakPolarHBondContact O-CB 3.48Å; G174-F177 PolarHBondContact O-N 2.92Å
175P82.2Confident81.3Confident111 Ų11171.3 Ų71.372%0.72137%0.37SS*.THydrogen-bonded Turntrans-64.3-22.4-178.725.8-34.6000113.9G45G45-P175 WeakPolarHBondContact O-CD 3.42Å
176S79.6Confident81.2Confident74 Ų7469.8 Ų69.852%0.51737%0.373SS..THydrogen-bonded Turntrans-112.428.5180-54.30000111.6G45 G174 S178G45-S176 CarbonylContact O-C 3.54Å; G45-S176 WeakPolarHBondContact O-CA 3.29Å; G45-S176 WeakPolarHBondContact O-CB 3.23Å; G45-S176 PolarHBondContact O-N 3.47Å; G174-S176 PolarHBondContact O-N 3.29Å; S176-S178 PolarHBondContact O-N 2.76Å
177F81.9Confident81.3Confident51 Ų5171.7 Ų71.722%0.22439%0.386CS..  trans-55.9121.6-178.6179.4-98.3000111.3L8 L11 I46 K173 G174L8-F177 HydrophobicContact CD2-CD2 4.34Å; L8-F177 HydrophobicContact CD2-CE2 3.72Å; L8-F177 HydrophobicContact CD2-CZ 4.47Å; L8-F177 WeakPolarHBondContact O-CZ 3.03Å; L11-F177 HydrophobicContact CB-CE2 3.57Å; L11-F177 HydrophobicContact CB-CZ 3.67Å; L11-F177 HydrophobicContact CD1-CD2 4.44Å; L11-F177 HydrophobicContact CD1-CE2 3.79Å; L11-F177 HydrophobicContact CG-CE2 4.32Å; I46-F177 WeakPolarHBondContact O-CD2 3.34Å; K173-F177 HydrophobicContact CB-CB 4.11Å; K173-F177 HydrophobicContact CB-CD2 4.28Å; K173-F177 HydrophobicContact CB-CG 4.13Å; K173-F177 HydrophobicContact CD-CD1 4.06Å; K173-F177 HydrophobicContact CD-CE1 4.31Å; K173-F177 HydrophobicContact CD-CG 4.27Å; K173-F177 HydrophobicContact CG-CB 4.44Å; K173-F177 HydrophobicContact CG-CD1 4.2Å; K173-F177 HydrophobicContact CG-CD2 3.98Å; K173-F177 HydrophobicContact CG-CE1 4.47Å; K173-F177 HydrophobicContact CG-CE2 4.27Å; K173-F177 HydrophobicContact CG-CG 3.94Å; G174-F177 WeakPolarHBondContact O-CB 3.48Å; G174-F177 PolarHBondContact O-N 2.92Å
178S78.9Confident81.5Confident47 Ų4773.2 Ų73.233%0.32939%0.392SS..  trans-140.8139.9177.41750000108.7S176 N180S176-S178 PolarHBondContact O-N 2.76Å; S178-N180 VanDerWaalsContact C-N 3.27Å; S178-N180 PolarHBondContact OG-N 2.93Å; S178-N180 VanDerWaalsContact OG-N 3.1Å; S178-N180 PolarHBondContact OG-O 2.63Å
179T76.5Confident81.4Confident75 Ų7575 Ų7546%0.4641%0.405SS..SBendtrans-78.3-15.5171.850.70000112.4
180N71.9Confident81.4Confident118 Ų11877.3 Ų77.363%0.63143%0.425SS*.SBendtrans-109.3106.4177.8-159.2-15.2000109.3S178 K182S178-N180 VanDerWaalsContact C-N 3.27Å; S178-N180 PolarHBondContact OG-N 2.93Å; S178-N180 VanDerWaalsContact OG-N 3.1Å; S178-N180 PolarHBondContact OG-O 2.63Å; N180-K182 PolarHBondContact O-N 3.32Å
181I67.5Low81.2Confident37 Ų3781.8 Ų81.819%0.1945%0.445CS..  trans-83.2106.6179.5-54.7174.8000107.8L8 L40 Y43 I46L8-I181 HydrophobicContact CD1-CD1 3.94Å; L8-I181 HydrophobicContact CD1-CG1 4Å; L40-I181 HydrophobicContact CD2-CD1 3.55Å; Y43-I181 HydrophobicContact CD1-CG2 3.58Å; Y43-I181 HydrophobicContact CD2-CG2 4.1Å; Y43-I181 HydrophobicContact CE1-CG2 3.26Å; Y43-I181 HydrophobicContact CE2-CD1 4.28Å; Y43-I181 HydrophobicContact CE2-CG2 3.82Å; Y43-I181 HydrophobicContact CG-CG2 3.99Å; I46-I181 HydrophobicContact CD1-CG1 4.17Å; I46-I181 HydrophobicContact CD1-CG2 4.43Å
182K66.7Low81Confident181 Ų18182.6 Ų82.679%0.78745%0.449SS*.PPolyproline II helixtrans-82.3121.7168-70.3-173.4177.2-174.40108.7N180N180-K182 PolarHBondContact O-N 3.32Å
183S67.5Low81Confident90 Ų9081.9 Ų81.963%0.62945%0.453SS*.PPolyproline II helixtrans-63.6137.7170.548.50000110.1
184E76.6Confident81Confident86 Ų8683 Ų8340%0.40247%0.472SS..PPolyproline II helixtrans-75.9141.8168.8-62.7-178.916300109.6K202 K204E184-K202 WeakPolarHBondContact CA-O 3.35Å; E184-K202 HydrophobicContact CG-CB 4.37Å; E184-K204 HydrophobicContact CB-CB 4.43Å
185E80.3Confident81.2Confident80 Ų8085.6 Ų85.637%0.37449%0.489SS..BIsolated β-bridgetrans-70.5137.8176.9-65.6-59153.700110.2L192 A201 K202 F203 K204E185-L192 HydrophobicContact CG-CD1 4.33Å; E185-A201 HydrophobicContact CG-CB 4.25Å; E185-K202 PolarHBondContact N-O 3.39Å; E185-F203 HydrophobicContact CB-CD1 3.67Å; E185-F203 HydrophobicContact CB-CE1 3.73Å; E185-F203 HydrophobicContact CB-CG 4.47Å; E185-F203 CarbonylContact O-C 3.59Å; E185-F203 VanDerWaalsContact O-CA 3.25Å; E185-F203 WeakPolarHBondContact O-CA 3.46Å; E185-K204 PolarHBondContact O-N 2.81Å
186T80.7Confident81.5Confident117 Ų11781.7 Ų81.772%0.71847%0.468SS*.  trans-86.5-34.1-175.748.90000113.9
187D85.1Confident81.7Confident125 Ų12583.6 Ų83.667%0.66847%0.469SS*.SBendtrans-149.1163.2-176.3-152.6-12.2000110.1S189D187-S189 PolarHBondContact O-N 2.93Å
188L88.7Confident82Confident83 Ų8386.5 Ų86.544%0.43548%0.478SS..  trans-84.4108.6179.9-170.568.3000109.9L193 W198 F203L188-L193 HydrophobicContact CD1-CD2 4.28Å; L188-L193 HydrophobicContact CD1-CG 4.3Å; L188-L193 HydrophobicContact CD2-CD1 4.18Å; L188-L193 HydrophobicContact CD2-CD2 3.79Å; L188-L193 HydrophobicContact CD2-CG 4.06Å; L188-L193 HydrophobicContact CG-CD1 4.29Å; L188-L193 HydrophobicContact CG-CD2 4.16Å; L188-L193 HydrophobicContact CG-CG 3.98Å; L188-W198 HydrophobicContact CD1-CB 3.7Å; L188-W198 HydrophobicContact CD1-CG 4.33Å; L188-F203 HydrophobicContact CD1-CE1 4.28Å; L188-F203 HydrophobicContact CD1-CZ 3.87Å
189S87.2Confident82.4Confident39 Ų3991.2 Ų91.227%0.27350%0.495SS..  trans-86.4160.9178.990.40000112.7D187 E191 L192 L193D187-S189 PolarHBondContact O-N 2.93Å; S189-E191 VanDerWaalsContact C-N 3.26Å; S189-E191 WeakPolarHBondContact CB-OE2 3.27Å; S189-E191 PolarHBondContact O-N 3.26Å; S189-E191 PolarHBondContact OG-N 3.29Å; S189-E191 PolarHBondContact OG-OE2 3.08Å; S189-L192 PolarHBondContact O-N 2.92Å; S189-L192 PolarHBondContact OG-N 3.04Å; S189-L193 PolarHBondContact O-N 3.32Å
190S91.2Very high82.8Confident78 Ų7893.6 Ų93.655%0.54551%0.51SS..Hα-helixtrans-62.2-32.917438.30000113S194S190-S194 PolarHBondContact O-N 3.07Å; S190-S194 VanDerWaalsContact O-N 3.16Å; S190-S194 PolarHBondContact O-OG 3.26Å
191E86.9Confident83.2Confident123 Ų12389.4 Ų89.458%0.57549%0.492SS*.Hα-helixtrans-69.4-46.1178.1-56.573.6-147.500110.9S189 L193 S194 S195S189-E191 VanDerWaalsContact C-N 3.26Å; S189-E191 WeakPolarHBondContact CB-OE2 3.27Å; S189-E191 PolarHBondContact O-N 3.26Å; S189-E191 PolarHBondContact OG-N 3.29Å; S189-E191 PolarHBondContact OG-OE2 3.08Å; E191-L193 VanDerWaalsContact C-N 3.28Å; E191-L193 PolarHBondContact O-N 3.05Å; E191-S194 CarbonylContact O-C 3.56Å; E191-S194 WeakPolarHBondContact O-CA 3.47Å; E191-S194 PolarHBondContact O-N 2.84Å; E191-S195 PolarHBondContact O-N 3Å; E191-S195 PolarHBondContact O-OG 2.7Å
192L87.6Confident83.9Confident16 Ų1695.4 Ų95.48%0.08452%0.517CS..Hα-helixtrans-57.8-42.1177.5-78.5170.9000111.6E185 S189 S194 S195 G196 E197 W198 F203E185-L192 HydrophobicContact CG-CD1 4.33Å; S189-L192 PolarHBondContact O-N 2.92Å; S189-L192 PolarHBondContact OG-N 3.04Å; L192-S194 VanDerWaalsContact C-N 3.31Å; L192-S194 PolarHBondContact O-N 2.95Å; L192-S195 PolarHBondContact O-OG 3.31Å; L192-G196 PolarHBondContact O-N 3.11Å; L192-G196 VanDerWaalsContact O-N 3.09Å; L192-E197 HydrophobicContact CD2-CB 3.84Å; L192-W198 HydrophobicContact CB-CB 4.3Å; L192-F203 HydrophobicContact CD1-CE1 4.24Å; L192-F203 HydrophobicContact CD1-CZ 4.37Å
193L89.5Confident84.7Confident95 Ų9590.3 Ų90.350%0.49749%0.494SS..Hα-helixtrans-62.3-38.5174.8-77.9172.9000112.4L188 S189 E191L188-L193 HydrophobicContact CD1-CD2 4.28Å; L188-L193 HydrophobicContact CD1-CG 4.3Å; L188-L193 HydrophobicContact CD2-CD1 4.18Å; L188-L193 HydrophobicContact CD2-CD2 3.79Å; L188-L193 HydrophobicContact CD2-CG 4.06Å; L188-L193 HydrophobicContact CG-CD1 4.29Å; L188-L193 HydrophobicContact CG-CD2 4.16Å; L188-L193 HydrophobicContact CG-CG 3.98Å; S189-L193 PolarHBondContact O-N 3.32Å; E191-L193 VanDerWaalsContact C-N 3.28Å; E191-L193 PolarHBondContact O-N 3.05Å
194S90.5Very high85.4Confident108 Ų10892.7 Ų92.776%0.75549%0.493SS*.Hα-helixtrans-76.9-37-178.4-56.70000112.7S190 E191 L192S190-S194 PolarHBondContact O-N 3.07Å; S190-S194 VanDerWaalsContact O-N 3.16Å; S190-S194 PolarHBondContact O-OG 3.26Å; E191-S194 CarbonylContact O-C 3.56Å; E191-S194 WeakPolarHBondContact O-CA 3.47Å; E191-S194 PolarHBondContact O-N 2.84Å; L192-S194 VanDerWaalsContact C-N 3.31Å; L192-S194 PolarHBondContact O-N 2.95Å
195S88.9Confident85.7Confident64 Ų6492.9 Ų92.945%0.44851%0.51SS..Hα-helixtrans-79.6-23.3-179.967.10000113.4E191 L192 E197E191-S195 PolarHBondContact O-N 3Å; E191-S195 PolarHBondContact O-OG 2.7Å; L192-S195 PolarHBondContact O-OG 3.31Å; S195-E197 WeakPolarHBondContact OG-CB 3.38Å; S195-E197 VanDerWaalsContact OG-CG 3.27Å; S195-E197 WeakPolarHBondContact OG-CG 3.28Å; S195-E197 PolarHBondContact OG-N 3.25Å; S195-E197 PolarHBondContact OG-OE2 3.24Å
196G87Confident86Confident28 Ų2896.3 Ų96.329%0.28952%0.52SS..SBendtrans80.80.4-172.900000113.9L192 W198 Q199L192-G196 PolarHBondContact O-N 3.11Å; L192-G196 VanDerWaalsContact O-N 3.09Å; G196-W198 PolarHBondContact O-N 2.88Å; G196-Q199 PolarHBondContact O-N 2.95Å
197E85.6Confident86.3Confident115 Ų11595.1 Ų95.154%0.53751%0.51SS..G310 helixtrans-63.1-24-179.3-72.1168.2155.900112.8L192 S195 Q199 T200 A201L192-E197 HydrophobicContact CD2-CB 3.84Å; S195-E197 WeakPolarHBondContact OG-CB 3.38Å; S195-E197 VanDerWaalsContact OG-CG 3.27Å; S195-E197 WeakPolarHBondContact OG-CG 3.28Å; S195-E197 PolarHBondContact OG-N 3.25Å; S195-E197 PolarHBondContact OG-OE2 3.24Å; E197-Q199 PolarHBondContact O-N 2.96Å; E197-T200 PolarHBondContact O-N 3.29Å; E197-T200 PolarHBondContact O-OG1 2.9Å; E197-A201 PolarHBondContact O-N 2.88Å
198W87.7Confident86.5Confident111 Ų11197.5 Ų97.542%0.4251%0.514SS..G310 helixtrans-54.7-24.4175.973-91.9000113.8L188 L192 G196 T200 F203L188-W198 HydrophobicContact CD1-CB 3.7Å; L188-W198 HydrophobicContact CD1-CG 4.33Å; L192-W198 HydrophobicContact CB-CB 4.3Å; G196-W198 PolarHBondContact O-N 2.88Å; W198-T200 VanDerWaalsContact C-N 3.3Å; W198-T200 PolarHBondContact O-N 2.94Å; W198-F203 HydrophobicContact CB-CZ 4.2Å
199Q86.9Confident86.6Confident147 Ų147104.2 Ų104.269%0.68754%0.535SS*.G310 helixtrans-71.9-23.8178.1-63.7-177.1100113.2G196 E197G196-Q199 PolarHBondContact O-N 2.95Å; E197-Q199 PolarHBondContact O-N 2.96Å
200T84.8Confident86.7Confident125 Ų125105.2 Ų105.277%0.76754%0.542SS*.THydrogen-bonded Turntrans-114.1-18.7-177.361.50000113.4E197 W198E197-T200 PolarHBondContact O-N 3.29Å; E197-T200 PolarHBondContact O-OG1 2.9Å; W198-T200 VanDerWaalsContact C-N 3.3Å; W198-T200 PolarHBondContact O-N 2.94Å
201A81.3Confident86.6Confident30 Ų30109.9 Ų109.925%0.24856%0.56CS.*PPolyproline II helixtrans-65141.8175.200000111.6E185 E197 F203E185-A201 HydrophobicContact CG-CB 4.25Å; E197-A201 PolarHBondContact O-N 2.88Å; A201-F203 HydrophobicContact CB-CE2 4.15Å; A201-F203 HydrophobicContact CB-CZ 4.29Å
202K81.4Confident86.7Confident163 Ų163106.7 Ų106.771%0.70956%0.56SS**PPolyproline II helixtrans-93.1126.6169-74.1-173.4176.7-176.40109E184 E185E184-K202 WeakPolarHBondContact CA-O 3.35Å; E184-K202 HydrophobicContact CG-CB 4.37Å; E185-K202 PolarHBondContact N-O 3.39Å
203F83.3Confident86.7Confident74 Ų74110.5 Ų110.533%0.32559%0.594SS.*BIsolated β-bridgetrans-99.7143.1177.9-65.6-89.3000111.1E185 L188 L192 W198 A201 A205E185-F203 HydrophobicContact CB-CD1 3.67Å; E185-F203 HydrophobicContact CB-CE1 3.73Å; E185-F203 HydrophobicContact CB-CG 4.47Å; E185-F203 CarbonylContact O-C 3.59Å; E185-F203 VanDerWaalsContact O-CA 3.25Å; E185-F203 WeakPolarHBondContact O-CA 3.46Å; L188-F203 HydrophobicContact CD1-CE1 4.28Å; L188-F203 HydrophobicContact CD1-CZ 3.87Å; L192-F203 HydrophobicContact CD1-CE1 4.24Å; L192-F203 HydrophobicContact CD1-CZ 4.37Å; W198-F203 HydrophobicContact CB-CZ 4.2Å; A201-F203 HydrophobicContact CB-CE2 4.15Å; A201-F203 HydrophobicContact CB-CZ 4.29Å; F203-A205 PolarHBondContact O-N 2.88Å
204K83.1Confident86.5Confident139 Ų139110.7 Ų110.760%0.60461%0.609SS**PPolyproline II helixtrans-62.2128.1170.6-173.2176.8-177.7176.50109.4E184 E185 Y206E184-K204 HydrophobicContact CB-CB 4.43Å; E185-K204 PolarHBondContact O-N 2.81Å; K204-Y206 PolarHBondContact O-N 2.85Å
205A82.8Confident86.4Confident90 Ų90112.9 Ų112.974%0.74461%0.612SS**PPolyproline II helixtrans-60.5128.8179.400000111.4F203F203-A205 PolarHBondContact O-N 2.88Å
206Y84.9Confident86.4Confident153 Ų153116.1 Ų116.160%0.663%0.631SS**PPolyproline II helixtrans-70.7130.6176.7-168.2-92.1000110.7K204 F208K204-Y206 PolarHBondContact O-N 2.85Å; Y206-F208 AromaticContact CD1-CD1 3.78Å; Y206-F208 HydrophobicContact CD1-CD1 3.78Å; Y206-F208 HydrophobicContact CD1-CD2 4.38Å; Y206-F208 AromaticContact CD1-CE1 3.75Å; Y206-F208 HydrophobicContact CD1-CE1 3.75Å; Y206-F208 HydrophobicContact CD1-CE2 4.35Å; Y206-F208 HydrophobicContact CD1-CG 4.1Å; Y206-F208 HydrophobicContact CD1-CZ 4.05Å; Y206-F208 HydrophobicContact CE1-CD1 4.27Å; Y206-F208 HydrophobicContact CE1-CE1 4.4Å; Y206-F208 HydrophobicContact CG-CZ 4.46Å; Y206-F208 VanDerWaalsContact O-CD2 3.26Å; Y206-F208 WeakPolarHBondContact O-CD2 3.27Å; Y206-F208 PolarHBondContact O-N 2.87Å
207N87.7Confident86.5Confident92 Ų92118.4 Ų118.449%0.49264%0.643SS.*  trans-80.988178.7-176.49.6000111.4Y209 S210N207-Y209 PolarHBondContact O-N 2.92Å; N207-Y209 VanDerWaalsContact O-N 3.12Å; N207-Y209 WeakPolarHBondContact OD1-CB 3.47Å; N207-Y209 PolarHBondContact OD1-N 2.95Å; N207-S210 PolarHBondContact O-N 2.86Å; N207-S210 VanDerWaalsContact O-N 3.13Å; N207-S210 PolarHBondContact O-OG 3.13Å
208F89.8Confident86.8Confident174 Ų174116.7 Ų116.776%0.76366%0.656SS**THydrogen-bonded Turntrans-65.4-7.6175.9-65.1-75.4000114.8Y206 S210Y206-F208 AromaticContact CD1-CD1 3.78Å; Y206-F208 HydrophobicContact CD1-CD1 3.78Å; Y206-F208 HydrophobicContact CD1-CD2 4.38Å; Y206-F208 AromaticContact CD1-CE1 3.75Å; Y206-F208 HydrophobicContact CD1-CE1 3.75Å; Y206-F208 HydrophobicContact CD1-CE2 4.35Å; Y206-F208 HydrophobicContact CD1-CG 4.1Å; Y206-F208 HydrophobicContact CD1-CZ 4.05Å; Y206-F208 HydrophobicContact CE1-CD1 4.27Å; Y206-F208 HydrophobicContact CE1-CE1 4.4Å; Y206-F208 HydrophobicContact CG-CZ 4.46Å; Y206-F208 VanDerWaalsContact O-CD2 3.26Å; Y206-F208 WeakPolarHBondContact O-CD2 3.27Å; Y206-F208 PolarHBondContact O-N 2.87Å; F208-S210 VanDerWaalsContact C-N 3.33Å
209Y90.5Very high86.9Confident225 Ų225114.7 Ų114.788%0.88265%0.651SS**THydrogen-bonded Turntrans-86.4-4.7174-60.1-81.6000113.3N207N207-Y209 PolarHBondContact O-N 2.92Å; N207-Y209 VanDerWaalsContact O-N 3.12Å; N207-Y209 WeakPolarHBondContact OD1-CB 3.47Å; N207-Y209 PolarHBondContact OD1-N 2.95Å
210S89.3Confident87.1Confident59 Ų59113 Ų11341%0.41365%0.646SS.*SBendtrans-89.1149.7175.1670000111.9N207 F208N207-S210 PolarHBondContact O-N 2.86Å; N207-S210 VanDerWaalsContact O-N 3.13Å; N207-S210 PolarHBondContact O-OG 3.13Å; F208-S210 VanDerWaalsContact C-N 3.33Å
211L88.9Confident87.5Confident177 Ų177109.3 Ų109.393%0.92762%0.62SS**PPolyproline II helixtrans-67.9133.7168.4-68.3173000109
212G89.6Confident87.9Confident56 Ų56107.9 Ų107.958%0.57761%0.608SS**PPolyproline II helixtrans-61.2161.4171.700000112A214G212-A214 PolarHBondContact O-N 3.46Å
213A87.4Confident88.3Confident95 Ų95100.3 Ų100.379%0.78558%0.576SS**PPolyproline II helixtrans-60132.3174.400000110.5L215A213-L215 PolarHBondContact O-N 3.05Å
214A85.7Confident88.7Confident100 Ų100100.5 Ų100.583%0.82658%0.58SS**PPolyproline II helixtrans-66.9123.317600000109.7G212G212-A214 PolarHBondContact O-N 3.46Å
215L87.7Confident89Confident154 Ų15496.2 Ų96.281%0.80656%0.56SS**PPolyproline II helixtrans-73.4132.7176.3-64.8173.5000109.8A213 S217A213-L215 PolarHBondContact O-N 3.05Å; L215-S217 PolarHBondContact O-N 3.49Å
216P88.8Confident89.4Confident131 Ų13192 Ų9285%0.85153%0.525SS*.PPolyproline II helixtrans-63.6128.7173.327-32.9000109.3
217S88.8Confident89.8Confident76 Ų7688.8 Ų88.853%0.53151%0.512SS..  trans-139.9157.7-179.575.10000111.1L215 H219L215-S217 PolarHBondContact O-N 3.49Å; S217-H219 PolarHBondContact O-CD2 3.43Å; S217-H219 PolarHBondContact O-NE2 2.81Å; S217-H219 PolarHBondContact OG-CE1 3.28Å; S217-H219 VanDerWaalsContact OG-CE1 3.29Å; S217-H219 PolarHBondContact OG-NE2 3.34Å
218G91.7Very high90Very high79 Ų7987.7 Ų87.781%0.81451%0.511SS*.  trans-74.4140.5170.300000111
219H90.5Very high90.1Very high70 Ų7080.4 Ų80.432%0.32448%0.479SS..  trans-117.7143.5179.5-59.2-84.6000111.4S217 I486 Y487S217-H219 PolarHBondContact O-CD2 3.43Å; S217-H219 PolarHBondContact O-NE2 2.81Å; S217-H219 PolarHBondContact OG-CE1 3.28Å; S217-H219 VanDerWaalsContact OG-CE1 3.29Å; S217-H219 PolarHBondContact OG-NE2 3.34Å; H219-I486 HydrophobicContact CB-CG2 3.96Å; H219-Y487 HydrophobicContact CB-CD1 3.99Å; H219-Y487 HydrophobicContact CB-CE1 4.42Å; H219-Y487 AromaticContact CD2-CD1 3.22Å; H219-Y487 WeakPolarHBondContact CD2-CD1 3.39Å; H219-Y487 AromaticContact CD2-CE1 3.69Å; H219-Y487 AromaticContact CD2-CG 3.91Å; H219-Y487 PolarHBondContact CE1-O 3.49Å; H219-Y487 AromaticContact CG-CD1 3.53Å; H219-Y487 PolarHBondContact ND1-O 2.93Å; H219-Y487 AromaticContact NE2-CD1 3.7Å; H219-Y487 AromaticContact NE2-CG 3.9Å
220L91.4Very high90.2Very high112 Ų11269.8 Ų69.859%0.58644%0.438SS*.  trans-107.9136.8174.3-72.5176.1000108.5R225L220-R225 HydrophobicContact CB-CG 3.88Å; L220-R225 PolarHBondContact O-NE 3.05Å; L220-R225 VanDerWaalsContact O-NE 3.12Å
221H92Very high90.5Very high47 Ų4768.7 Ų68.722%0.21843%0.43CS..  trans-57.4132.5179.3-170.5-76.2000111.6L223 L224 R225 L476 I481H221-L223 VanDerWaalsContact C-N 3.35Å; H221-L223 VanDerWaalsContact ND1-CB 3.34Å; H221-L223 WeakPolarHBondContact ND1-CB 3.48Å; H221-L223 PolarHBondContact ND1-N 2.82Å; H221-L223 VanDerWaalsContact ND1-N 3.13Å; H221-L223 PolarHBondContact O-N 3.25Å; H221-L224 HydrophobicContact CB-CB 4.26Å; H221-L224 HydrophobicContact CB-CD1 4.01Å; H221-L224 HydrophobicContact CB-CG 4.03Å; H221-L224 PolarHBondContact O-N 2.82Å; H221-R225 PolarHBondContact O-N 2.7Å; H221-L476 PolarHBondContact CE1-O 3.33Å; H221-L476 PolarHBondContact NE2-O 2.69Å; H221-I481 WeakPolarHBondContact NE2-CD1 3.48Å
222P89.8Confident90.8Very high0 Ų066.1 Ų66.10%041%0.408CS..Hα-helixtrans-53.6-45.4-176.5-28.735.6000114L224 R225 V226 Y468 A489P222-L224 VanDerWaalsContact C-N 3.33Å; P222-L224 PolarHBondContact O-N 2.84Å; P222-R225 WeakPolarHBondContact O-CB 3.48Å; P222-R225 PolarHBondContact O-N 2.87Å; P222-V226 PolarHBondContact O-N 3.22Å; P222-Y468 HydrophobicContact CB-CD2 4.33Å; P222-Y468 HydrophobicContact CB-CE1 4.31Å; P222-Y468 HydrophobicContact CB-CE2 3.93Å; P222-A489 HydrophobicContact CG-CB 3.82Å
223L91.3Very high91Very high4 Ų463.8 Ų63.82%0.02138%0.382CS..Hα-helixtrans-58.7-42.1176.3-169.976000112.8H221 R225 V226 R227 L460 E461 T464 I477H221-L223 VanDerWaalsContact C-N 3.35Å; H221-L223 VanDerWaalsContact ND1-CB 3.34Å; H221-L223 WeakPolarHBondContact ND1-CB 3.48Å; H221-L223 PolarHBondContact ND1-N 2.82Å; H221-L223 VanDerWaalsContact ND1-N 3.13Å; H221-L223 PolarHBondContact O-N 3.25Å; L223-R225 VanDerWaalsContact C-N 3.33Å; L223-R225 PolarHBondContact O-N 2.81Å; L223-V226 PolarHBondContact O-N 2.76Å; L223-R227 PolarHBondContact O-N 2.95Å; L223-L460 HydrophobicContact CD1-CB 4.29Å; L223-L460 HydrophobicContact CD1-CD2 3.84Å; L223-L460 HydrophobicContact CD1-CG 3.78Å; L223-L460 HydrophobicContact CD2-CD2 4.43Å; L223-L460 HydrophobicContact CG-CD2 3.76Å; L223-L460 HydrophobicContact CG-CG 4.27Å; L223-E461 HydrophobicContact CD1-CG 4.11Å; L223-T464 HydrophobicContact CD1-CG2 4.19Å; L223-I477 HydrophobicContact CD2-CD1 3.44Å; L223-I477 VanDerWaalsContact CD2-CD1 3.44Å; L223-I477 HydrophobicContact CD2-CG1 3.77Å
224L91.5Very high91.4Very high78 Ų7859.2 Ų59.241%0.40834%0.344SS..Hα-helixtrans-70.1-32.3179.1-63.1-178.4000111.6H221 P222 V226 R227 S228H221-L224 HydrophobicContact CB-CB 4.26Å; H221-L224 HydrophobicContact CB-CD1 4.01Å; H221-L224 HydrophobicContact CB-CG 4.03Å; H221-L224 PolarHBondContact O-N 2.82Å; P222-L224 VanDerWaalsContact C-N 3.33Å; P222-L224 PolarHBondContact O-N 2.84Å; L224-V226 VanDerWaalsContact C-N 3.34Å; L224-R227 WeakPolarHBondContact O-CB 3.34Å; L224-R227 PolarHBondContact O-N 3.3Å; L224-S228 PolarHBondContact O-N 2.55Å; L224-S228 PolarHBondContact O-OG 3.03Å; L224-S228 VanDerWaalsContact O-OG 3.12Å
225R89.9Confident91.9Very high48 Ų4857.4 Ų57.418%0.18133%0.325CS..Hα-helixtrans-61.5-44.4171.1-66.5178.8175.51790.2111.2L220 H221 P222 L223 S228 E229 A489 P490L220-R225 HydrophobicContact CB-CG 3.88Å; L220-R225 PolarHBondContact O-NE 3.05Å; L220-R225 VanDerWaalsContact O-NE 3.12Å; H221-R225 PolarHBondContact O-N 2.7Å; P222-R225 WeakPolarHBondContact O-CB 3.48Å; P222-R225 PolarHBondContact O-N 2.87Å; L223-R225 VanDerWaalsContact C-N 3.33Å; L223-R225 PolarHBondContact O-N 2.81Å; R225-S228 PolarHBondContact O-N 2.72Å; R225-E229 PolarHBondContact O-N 3.22Å; R225-A489 PolarHBondContact NH1-O 2.88Å; R225-P490 PolarHBondContact NH1-O 3.4Å; R225-P490 VanDerWaalsContact NH1-O 3.12Å
226V89.8Confident92.3Very high2 Ų255 Ų551%0.01231%0.313CS..Hα-helixtrans-66-41.5176.4-179.60000110.8P222 L223 L224 S228 E229 F230 L460 T464 Y468P222-V226 PolarHBondContact O-N 3.22Å; L223-V226 PolarHBondContact O-N 2.76Å; L224-V226 VanDerWaalsContact C-N 3.34Å; V226-S228 VanDerWaalsContact C-N 3.34Å; V226-S228 PolarHBondContact O-N 3Å; V226-E229 WeakPolarHBondContact O-CB 3.43Å; V226-E229 PolarHBondContact O-N 3.34Å; V226-E229 VanDerWaalsContact O-N 3.1Å; V226-F230 HydrophobicContact CG1-CD2 3.59Å; V226-F230 HydrophobicContact CG1-CE2 3.33Å; V226-F230 HydrophobicContact CG1-CZ 4.19Å; V226-F230 WeakPolarHBondContact O-CD2 3.14Å; V226-F230 PolarHBondContact O-N 2.86Å; V226-L460 HydrophobicContact CB-CD1 4.47Å; V226-L460 HydrophobicContact CG1-CD1 3.89Å; V226-T464 WeakPolarHBondContact CG1-OG1 3.42Å; V226-T464 HydrophobicContact CG2-CG2 3.99Å; V226-Y468 HydrophobicContact CG2-CE2 3.84Å
227R93.4Very high92.7Very high86 Ų8650.1 Ų50.133%0.32528%0.279SS..Hα-helixtrans-52.7-50.2172.1179178.4171.3-164-2.4111.7L223 L224 E229 F230 C231 I352 L460L223-R227 PolarHBondContact O-N 2.95Å; L224-R227 WeakPolarHBondContact O-CB 3.34Å; L224-R227 PolarHBondContact O-N 3.3Å; R227-E229 PolarHBondContact O-N 2.74Å; R227-F230 PolarHBondContact O-N 3.35Å; R227-C231 WeakPolarHBondContact O-CB 3.42Å; R227-C231 PolarHBondContact O-N 3.24Å; R227-I352 HydrophobicContact CG-CB 4.37Å; R227-I352 HydrophobicContact CG-CD1 4.2Å; R227-I352 HydrophobicContact CG-CG2 3.92Å; R227-L460 HydrophobicContact CB-CD2 3.77Å; R227-L460 HydrophobicContact CG-CD2 4.47Å
228S92.9Very high93Very high68 Ų6848.7 Ų48.748%0.47628%0.277SS..Hα-helixtrans-61.1-34.5179.7-59.90000112.5L224 R225 V226 R232L224-S228 PolarHBondContact O-N 2.55Å; L224-S228 PolarHBondContact O-OG 3.03Å; L224-S228 VanDerWaalsContact O-OG 3.12Å; R225-S228 PolarHBondContact O-N 2.72Å; V226-S228 VanDerWaalsContact C-N 3.34Å; V226-S228 PolarHBondContact O-N 3Å; S228-R232 WeakPolarHBondContact O-CB 3.49Å; S228-R232 PolarHBondContact O-N 3.19Å
229E91.4Very high93.3Very high22 Ų2245.4 Ų45.410%0.10324%0.24CC..Hα-helixtrans-72.7-40.9176.8-173.8171.5177.900112.7R225 V226 R227 R232 I233 R467R225-E229 PolarHBondContact O-N 3.22Å; V226-E229 WeakPolarHBondContact O-CB 3.43Å; V226-E229 PolarHBondContact O-N 3.34Å; V226-E229 VanDerWaalsContact O-N 3.1Å; R227-E229 PolarHBondContact O-N 2.74Å; E229-R232 PolarHBondContact O-N 3.38Å; E229-I233 HydrophobicContact CG-CD1 4.1Å; E229-I233 WeakPolarHBondContact O-CG1 3.4Å; E229-I233 PolarHBondContact O-N 3.37Å; E229-R467 VanDerWaalsContact CD-NH2 3.34Å; E229-R467 IonicContact OE1-CZ 3.59Å; E229-R467 IonicContact OE1-NH1 3.46Å; E229-R467 PolarHBondContact OE1-NH1 3.19Å; E229-R467 IonicContact OE1-NH2 2.66Å; E229-R467 PolarHBondContact OE1-NH2 2.94Å; E229-R467 IonicContact OE2-CZ 3.9Å; E229-R467 IonicContact OE2-NH1 2.61Å; E229-R467 PolarHBondContact OE2-NH1 3.41Å; E229-R467 IonicContact OE2-NH2 3.45Å; E229-R467 PolarHBondContact OE2-NH2 3.19Å
230F93.3Very high93.7Very high2 Ų245.4 Ų45.41%0.00925%0.248CC..Hα-helixtrans-62.2-46.3175.2-83.9-128.6000110.9V226 R227 R232 I233 L234 I352 V372 F393 L397 L458 L460 P463V226-F230 HydrophobicContact CG1-CD2 3.59Å; V226-F230 HydrophobicContact CG1-CE2 3.33Å; V226-F230 HydrophobicContact CG1-CZ 4.19Å; V226-F230 WeakPolarHBondContact O-CD2 3.14Å; V226-F230 PolarHBondContact O-N 2.86Å; R227-F230 PolarHBondContact O-N 3.35Å; F230-R232 PolarHBondContact O-N 3.1Å; F230-I233 PolarHBondContact O-N 3.38Å; F230-L234 WeakPolarHBondContact O-CD1 3.49Å; F230-L234 WeakPolarHBondContact O-CG 3.44Å; F230-L234 PolarHBondContact O-N 2.97Å; F230-I352 HydrophobicContact CB-CD1 3.73Å; F230-V372 HydrophobicContact CD1-CG1 4.2Å; F230-V372 HydrophobicContact CD1-CG2 3.86Å; F230-V372 HydrophobicContact CE1-CG2 4.42Å; F230-F393 HydrophobicContact CD1-CE1 4.48Å; F230-F393 HydrophobicContact CD1-CE2 4.43Å; F230-F393 AromaticContact CD1-CZ 3.6Å; F230-F393 HydrophobicContact CD1-CZ 3.6Å; F230-F393 HydrophobicContact CE1-CE1 4.17Å; F230-F393 AromaticContact CE1-CZ 3.7Å; F230-F393 HydrophobicContact CE1-CZ 3.7Å; F230-F393 HydrophobicContact CG-CZ 4.32Å; F230-L397 HydrophobicContact CD2-CD2 3.8Å; F230-L397 HydrophobicContact CE1-CD1 4Å; F230-L397 HydrophobicContact CE2-CD1 3.86Å; F230-L397 HydrophobicContact CE2-CD2 3.38Å; F230-L397 HydrophobicContact CE2-CG 4.29Å; F230-L397 HydrophobicContact CZ-CD1 3.52Å; F230-L397 HydrophobicContact CZ-CD2 3.98Å; F230-L397 HydrophobicContact CZ-CG 4.43Å; F230-L458 HydrophobicContact CD1-CD1 4.32Å; F230-L458 HydrophobicContact CE1-CD1 3.63Å; F230-L460 HydrophobicContact CD1-CD1 4.15Å; F230-L460 HydrophobicContact CD2-CD1 4.39Å; F230-L460 HydrophobicContact CE1-CD1 4.42Å; F230-L460 HydrophobicContact CG-CD1 4.15Å; F230-P463 HydrophobicContact CZ-CB 3.88Å; F230-P463 HydrophobicContact CZ-CG 4.09Å
231C94.7Very high94Very high36 Ų3645 Ų4524%0.24324%0.243CC..Hα-helixtrans-53.1-52.3172.3168.50000111.1R227 I233 L234 C235 Y350 I352R227-C231 WeakPolarHBondContact O-CB 3.42Å; R227-C231 PolarHBondContact O-N 3.24Å; C231-I233 PolarHBondContact O-N 3.5Å; C231-L234 PolarHBondContact O-N 3.12Å; C231-C235 WeakPolarHBondContact O-CB 3.37Å; C231-C235 PolarHBondContact O-N 3.19Å; C231-C235 PolarHBondContact O-SG 3.06Å; C231-Y350 HydrophobicContact CB-CE2 4.36Å; C231-Y350 PolarHBondContact SG-OH 2.93Å; C231-I352 HydrophobicContact CB-CD1 4.37Å
232R94.4Very high94.2Very high123 Ų12343 Ų4346%0.46423%0.234SC..Hα-helixtrans-57.9-46.2177.6-175.9178.463.4148.22.3112.5S228 E229 F230 L234 C235 D236S228-R232 WeakPolarHBondContact O-CB 3.49Å; S228-R232 PolarHBondContact O-N 3.19Å; E229-R232 PolarHBondContact O-N 3.38Å; F230-R232 PolarHBondContact O-N 3.1Å; R232-L234 VanDerWaalsContact C-N 3.34Å; R232-L234 PolarHBondContact O-N 3.13Å; R232-C235 PolarHBondContact O-N 3.31Å; R232-D236 WeakPolarHBondContact O-CB 3.37Å; R232-D236 PolarHBondContact O-N 2.86Å
233I94.4Very high94.5Very high6 Ų647 Ų473%0.03126%0.259CS..Hα-helixtrans-61.3-42.4180-74.1168.9000111.5E229 F230 C231 D236 M237 F393 K396 L397E229-I233 HydrophobicContact CG-CD1 4.1Å; E229-I233 WeakPolarHBondContact O-CG1 3.4Å; E229-I233 PolarHBondContact O-N 3.37Å; F230-I233 PolarHBondContact O-N 3.38Å; C231-I233 PolarHBondContact O-N 3.5Å; I233-D236 PolarHBondContact O-N 2.87Å; I233-M237 HydrophobicContact CG2-SD 4.06Å; I233-M237 VanDerWaalsContact O-CG 3.27Å; I233-M237 WeakPolarHBondContact O-CG 3.33Å; I233-M237 PolarHBondContact O-N 2.72Å; I233-F393 HydrophobicContact CG2-CD2 3.65Å; I233-F393 HydrophobicContact CG2-CE2 3.87Å; I233-K396 HydrophobicContact CD1-CB 4.11Å; I233-K396 HydrophobicContact CG1-CB 4.17Å; I233-K396 HydrophobicContact CG2-CB 3.87Å; I233-K396 HydrophobicContact CG2-CD 3.82Å; I233-L397 HydrophobicContact CD1-CD2 3.38Å; I233-L397 HydrophobicContact CD1-CG 3.78Å
234L96.3Very high94.7Very high0 Ų047.4 Ų47.40%026%0.262CS..Hα-helixtrans-68.9-42.5179.3-71161.3000111.2F230 C231 R232 D236 M237 G238 F239 Y350 V372 F393 W456F230-L234 WeakPolarHBondContact O-CD1 3.49Å; F230-L234 WeakPolarHBondContact O-CG 3.44Å; F230-L234 PolarHBondContact O-N 2.97Å; C231-L234 PolarHBondContact O-N 3.12Å; R232-L234 VanDerWaalsContact C-N 3.34Å; R232-L234 PolarHBondContact O-N 3.13Å; L234-D236 PolarHBondContact O-N 2.94Å; L234-M237 CarbonylContact O-C 3.57Å; L234-M237 WeakPolarHBondContact O-CB 3.37Å; L234-M237 PolarHBondContact O-N 3.33Å; L234-M237 VanDerWaalsContact O-N 3.1Å; L234-G238 PolarHBondContact O-N 2.93Å; L234-F239 HydrophobicContact CB-CB 4.19Å; L234-F239 HydrophobicContact CD2-CD2 4.47Å; L234-F239 HydrophobicContact CD2-CG 4.34Å; L234-F239 WeakPolarHBondContact O-CB 3.47Å; L234-F239 PolarHBondContact O-N 2.88Å; L234-Y350 HydrophobicContact CB-CD1 3.98Å; L234-Y350 HydrophobicContact CB-CD2 4.06Å; L234-Y350 HydrophobicContact CB-CE1 4.23Å; L234-Y350 HydrophobicContact CB-CE2 4.34Å; L234-Y350 HydrophobicContact CB-CG 3.85Å; L234-Y350 HydrophobicContact CD1-CD2 3.45Å; L234-Y350 VanDerWaalsContact CD1-CD2 3.45Å; L234-Y350 HydrophobicContact CD1-CE2 4.15Å; L234-Y350 HydrophobicContact CD1-CG 3.77Å; L234-Y350 HydrophobicContact CG-CD2 4.34Å; L234-Y350 HydrophobicContact CG-CG 4.3Å; L234-V372 HydrophobicContact CD1-CG1 4.15Å; L234-F393 HydrophobicContact CD1-CE2 4.18Å; L234-F393 HydrophobicContact CD2-CD2 3.82Å; L234-F393 HydrophobicContact CD2-CE2 3.84Å; L234-F393 HydrophobicContact CG-CD2 4.2Å; L234-F393 HydrophobicContact CG-CE2 3.81Å; L234-W456 HydrophobicContact CD2-CZ2 3.99Å
235C96.2Very high94.8Very high62 Ų6251.2 Ų51.242%0.41928%0.283SS..Hα-helixtrans-58.4-45.5171.6-700000111.8C231 R232 M237 G238 Y350C231-C235 WeakPolarHBondContact O-CB 3.37Å; C231-C235 PolarHBondContact O-N 3.19Å; C231-C235 PolarHBondContact O-SG 3.06Å; R232-C235 PolarHBondContact O-N 3.31Å; C235-M237 PolarHBondContact O-N 3.18Å; C235-G238 WeakPolarHBondContact O-CA 3.44Å; C235-G238 PolarHBondContact O-N 2.72Å; C235-Y350 PolarHBondContact SG-OH 3.27Å
236D95.8Very high95Very high103 Ų10350.8 Ų50.855%0.55128%0.284SS*.Hα-helixtrans-62.9-25.6176.3-70.4-10.6000112.7R232 I233 L234 G238R232-D236 WeakPolarHBondContact O-CB 3.37Å; R232-D236 PolarHBondContact O-N 2.86Å; I233-D236 PolarHBondContact O-N 2.87Å; L234-D236 PolarHBondContact O-N 2.94Å; D236-G238 VanDerWaalsContact C-N 3.27Å
237M96.2Very high95.3Very high28 Ų2856.3 Ų56.314%0.13831%0.306CS..THydrogen-bonded Turntrans-84.71.1174.2-71175.261.800113.2I233 L234 C235 F239 V389 T392 F393 K396I233-M237 HydrophobicContact CG2-SD 4.06Å; I233-M237 VanDerWaalsContact O-CG 3.27Å; I233-M237 WeakPolarHBondContact O-CG 3.33Å; I233-M237 PolarHBondContact O-N 2.72Å; L234-M237 CarbonylContact O-C 3.57Å; L234-M237 WeakPolarHBondContact O-CB 3.37Å; L234-M237 PolarHBondContact O-N 3.33Å; L234-M237 VanDerWaalsContact O-N 3.1Å; C235-M237 PolarHBondContact O-N 3.18Å; M237-F239 HydrophobicContact CB-CD2 3.72Å; M237-F239 HydrophobicContact CB-CE2 3.91Å; M237-F239 HydrophobicContact CE-CE2 4.24Å; M237-V389 HydrophobicContact CE-CG1 4.05Å; M237-T392 HydrophobicContact CE-CG2 4.11Å; M237-T392 HydrophobicContact SD-CG2 4.4Å; M237-F393 HydrophobicContact CE-CB 4.06Å; M237-F393 HydrophobicContact SD-CB 3.96Å; M237-F393 HydrophobicContact SD-CD2 4.17Å; M237-K396 HydrophobicContact CG-CD 4.07Å; M237-K396 HydrophobicContact SD-CD 4.16Å
238G96.7Very high95.4Very high47 Ų4755 Ų5549%0.48531%0.307SS..THydrogen-bonded Turntrans81.623.7179.300000114.2L234 C235 D236L234-G238 PolarHBondContact O-N 2.93Å; C235-G238 WeakPolarHBondContact O-CA 3.44Å; C235-G238 PolarHBondContact O-N 2.72Å; D236-G238 VanDerWaalsContact C-N 3.27Å
239F98Very high95.6Very high10 Ų1051.9 Ų51.94%0.04429%0.285CS..PPolyproline II helixtrans-86.7142.2174-70.8-108.8000110.9L234 M237 K348 Y349 Y350 L375 V376 V389 W456L234-F239 HydrophobicContact CB-CB 4.19Å; L234-F239 HydrophobicContact CD2-CD2 4.47Å; L234-F239 HydrophobicContact CD2-CG 4.34Å; L234-F239 WeakPolarHBondContact O-CB 3.47Å; L234-F239 PolarHBondContact O-N 2.88Å; M237-F239 HydrophobicContact CB-CD2 3.72Å; M237-F239 HydrophobicContact CB-CE2 3.91Å; M237-F239 HydrophobicContact CE-CE2 4.24Å; F239-K348 HydrophobicContact CB-CB 4.37Å; F239-K348 HydrophobicContact CD1-CB 3.73Å; F239-K348 HydrophobicContact CD2-CB 4.2Å; F239-K348 HydrophobicContact CD2-CD 4.29Å; F239-K348 HydrophobicContact CE1-CB 3.83Å; F239-K348 HydrophobicContact CE1-CG 4.37Å; F239-K348 HydrophobicContact CE2-CB 4.3Å; F239-K348 HydrophobicContact CE2-CD 3.98Å; F239-K348 HydrophobicContact CE2-CG 4.44Å; F239-K348 HydrophobicContact CG-CB 3.87Å; F239-K348 HydrophobicContact CZ-CB 4.07Å; F239-K348 HydrophobicContact CZ-CD 4.18Å; F239-K348 HydrophobicContact CZ-CG 4.2Å; F239-Y349 WeakPolarHBondContact CD1-O 3.42Å; F239-Y350 HydrophobicContact CB-CD1 3.59Å; F239-Y350 HydrophobicContact CB-CE1 4.39Å; F239-Y350 HydrophobicContact CB-CG 4.29Å; F239-L375 WeakPolarHBondContact CE1-O 3.18Å; F239-V376 HydrophobicContact CE1-CG2 3.7Å; F239-V376 HydrophobicContact CZ-CG2 3.44Å; F239-V376 VanDerWaalsContact CZ-CG2 3.44Å; F239-V389 HydrophobicContact CZ-CG1 4.19Å; F239-W456 HydrophobicContact CD1-CH2 4.29Å; F239-W456 AromaticContact CE1-CH2 3.35Å; F239-W456 HydrophobicContact CE1-CH2 3.35Å; F239-W456 HydrophobicContact CE1-CZ2 4.27Å; F239-W456 HydrophobicContact CE1-CZ3 4.01Å; F239-W456 HydrophobicContact CE2-CH2 4.28Å; F239-W456 AromaticContact CZ-CH2 3.38Å; F239-W456 HydrophobicContact CZ-CH2 3.38Å; F239-W456 HydrophobicContact CZ-CZ2 4.36Å; F239-W456 HydrophobicContact CZ-CZ3 4.11Å
240S97.5Very high95.7Very high70 Ų7051.1 Ų51.149%0.4928%0.282SS..EExtended strand (participates in β ladder)trans-99.5138.3173.1-57.40000110.9K348 Y349 Y350S240-K348 PolarHBondContact N-O 3.01Å; S240-Y349 CarbonylContact O-C 3.58Å; S240-Y349 WeakPolarHBondContact O-CA 3.13Å; S240-Y350 VanDerWaalsContact C-CD1 3.47Å; S240-Y350 WeakPolarHBondContact O-CD1 3.42Å; S240-Y350 PolarHBondContact O-N 3.21Å
241E97.8Very high95.9Very high104 Ų10451 Ų5149%0.48628%0.282SS..EExtended strand (participates in β ladder)trans-72.3131-179.9-164.8170.1-161.400110.7Y350E241-Y350 CarbonylContact C-O 3.59Å; E241-Y350 VanDerWaalsContact CA-CE1 3.5Å; E241-Y350 WeakPolarHBondContact CA-O 3.43Å; E241-Y350 HydrophobicContact CB-CD1 4.36Å; E241-Y350 HydrophobicContact CB-CE1 3.67Å; E241-Y350 HydrophobicContact CB-CE2 4.31Å; E241-Y350 HydrophobicContact CG-CE1 4.3Å; E241-Y350 HydrophobicContact CG-CE2 4.04Å; E241-Y350 VanDerWaalsContact N-CE1 3.33Å
242M97Very high96Very high5 Ų549.3 Ų49.33%0.02527%0.27CS..PPolyproline II helixtrans-84.9141.8174.4-59.8-176.2-78.900110.1T244 V330 M334 Y349 Y350 S351 L375M242-T244 PolarHBondContact O-N 3.47Å; M242-V330 HydrophobicContact CB-CG1 3.97Å; M242-V330 HydrophobicContact SD-CG1 4.43Å; M242-M334 HydrophobicContact CB-CG 4.01Å; M242-M334 HydrophobicContact CG-CB 4.49Å; M242-M334 HydrophobicContact CG-CE 4.44Å; M242-M334 HydrophobicContact CG-CG 3.77Å; M242-M334 HydrophobicContact SD-CB 3.84Å; M242-M334 HydrophobicContact SD-CG 3.57Å; M242-M334 VanDerWaalsContact SD-CG 3.57Å; M242-Y349 HydrophobicContact CG-CD1 4.17Å; M242-Y349 HydrophobicContact CG-CG 4Å; M242-Y349 VanDerWaalsContact SD-CB 3.56Å; M242-Y349 HydrophobicContact SD-CG 4.19Å; M242-Y350 PolarHBondContact N-O 2.69Å; M242-S351 WeakPolarHBondContact CE-OG 3.22Å; M242-L375 HydrophobicContact CE-CD2 4.38Å; M242-L375 HydrophobicContact SD-CD2 4.25Å
243P96Very high96.1Very high82 Ų8243.8 Ų43.853%0.53225%0.249SC..PPolyproline II helixtrans-70.5126.8172.529.9-33.2000110.2V330 M334P243-V330 VanDerWaalsContact O-CG1 3.26Å; P243-V330 WeakPolarHBondContact O-CG1 3.14Å; P243-M334 HydrophobicContact CG-SD 4.25Å
244T96Very high96.2Very high13 Ų1343.5 Ų43.58%0.0825%0.248CC..  trans-118.526.8-177.856.60000112.1M242 N246 R324 V330 S351 D353M242-T244 PolarHBondContact O-N 3.47Å; T244-N246 PolarHBondContact O-N 3.36Å; T244-R324 VanDerWaalsContact O-CZ 3.25Å; T244-R324 PolarHBondContact O-NH1 3Å; T244-R324 PolarHBondContact O-NH2 3.28Å; T244-V330 HydrophobicContact CG2-CG1 4.11Å; T244-V330 HydrophobicContact CG2-CG2 4.17Å; T244-S351 VanDerWaalsContact CG2-CB 3.5Å; T244-D353 WeakPolarHBondContact CB-OD2 3.34Å; T244-D353 HydrophobicContact CG2-CB 3.97Å; T244-D353 VanDerWaalsContact OG1-CG 3.31Å; T244-D353 PolarHBondContact OG1-OD2 2.84Å
245N93.3Very high96.3Very high159 Ų15943.5 Ų43.585%0.8525%0.248SC*.  trans-76.748.9-169.4-57.2-20.8000113.7
246N92.9Very high96.3Very high39 Ų3940.6 Ų40.621%0.20923%0.228CC..  trans-156.194-176.264.6-44.8000112.1T244 V248 E249 R324T244-N246 PolarHBondContact O-N 3.36Å; N246-V248 VanDerWaalsContact C-N 3.3Å; N246-E249 PolarHBondContact ND2-OE2 3.27Å; N246-R324 VanDerWaalsContact O-CD 3.31Å; N246-R324 WeakPolarHBondContact O-CD 3.3Å; N246-R324 PolarHBondContact O-NE 3.31Å; N246-R324 PolarHBondContact O-NH1 2.98Å; N246-R324 PolarHBondContact OD1-NH1 2.72Å
247Y96.5Very high96.4Very high117 Ų11735.8 Ų35.846%0.45920%0.203SC..SBendtrans-68-34.3171.7-66-40.7000112.4L323 R324 R354 F356Y247-L323 WeakPolarHBondContact O-CA 3.22Å; Y247-R324 VanDerWaalsContact CE1-NH2 3.27Å; Y247-R324 WeakPolarHBondContact O-CG 3.41Å; Y247-R324 PolarHBondContact O-N 3.37Å; Y247-R354 HydrophobicContact CE1-CB 4.16Å; Y247-F356 AromaticContact CD1-CE2 3.71Å; Y247-F356 HydrophobicContact CD1-CE2 3.71Å; Y247-F356 AromaticContact CD1-CZ 3.95Å; Y247-F356 HydrophobicContact CD1-CZ 3.95Å; Y247-F356 HydrophobicContact CE1-CZ 4.46Å; Y247-F356 AromaticContact CG-CE2 3.94Å; Y247-F356 HydrophobicContact CG-CE2 3.94Å; Y247-F356 HydrophobicContact CG-CZ 4.05Å
248V96.5Very high96.4Very high59 Ų5934.5 Ų34.536%0.35820%0.196SC..EExtended strand (participates in β ladder)trans-84.9130.9173.8-178.90000108.9N246 L275 N321 L322 L323N246-V248 VanDerWaalsContact C-N 3.3Å; V248-L275 HydrophobicContact CB-CD1 4.12Å; V248-L275 HydrophobicContact CG1-CD1 3.39Å; V248-L275 HydrophobicContact CG2-CD1 3.62Å; V248-N321 HydrophobicContact CG1-CB 4.06Å; V248-L322 WeakPolarHBondContact CA-O 3.43Å; V248-L323 HydrophobicContact CG2-CD2 4.41Å
249E95.8Very high96.5Very high2 Ų232.6 Ų32.61%0.00918%0.175CC..EExtended strand (participates in β ladder)trans-131.3145.3175-166.158.9-85.300108.7N246 W253 N254 L322 R324 A329 R333N246-E249 PolarHBondContact ND2-OE2 3.27Å; E249-W253 HydrophobicContact CG-CB 3.83Å; E249-W253 WeakPolarHBondContact OE1-CB 3.49Å; E249-N254 HydrophobicContact CB-CB 4.3Å; E249-N254 HydrophobicContact CG-CB 3.85Å; E249-L322 HydrophobicContact CB-CD1 4.4Å; E249-L322 PolarHBondContact N-O 3.37Å; E249-L322 PolarHBondContact O-N 2.84Å; E249-L322 VanDerWaalsContact O-O 3.13Å; E249-R324 HydrophobicContact CB-CB 4.13Å; E249-A329 HydrophobicContact CG-CB 3.94Å; E249-R333 IonicContact OE1-CZ 3.15Å; E249-R333 VanDerWaalsContact OE1-CZ 3.29Å; E249-R333 IonicContact OE1-NE 3.57Å; E249-R333 PolarHBondContact OE1-NE 3.09Å; E249-R333 VanDerWaalsContact OE1-NE 3.15Å; E249-R333 IonicContact OE1-NH2 4Å; E249-R333 PolarHBondContact OE1-NH2 3.18Å; E249-R333 IonicContact OE2-CZ 2.83Å; E249-R333 IonicContact OE2-NE 3.64Å; E249-R333 PolarHBondContact OE2-NE 3.08Å; E249-R333 IonicContact OE2-NH2 3.91Å
250C95.2Very high96.4Very high7 Ų732.4 Ų32.45%0.04717%0.174CC..EExtended strand (participates in β ladder)trans-79.4151.6170.167.30000109.8F252 W253 N254 I283C250-F252 PolarHBondContact O-N 3.31Å; C250-F252 VanDerWaalsContact O-N 3.11Å; C250-W253 PolarHBondContact O-N 3.13Å; C250-N254 PolarHBondContact O-N 3.27Å; C250-I283 HydrophobicContact CB-CG2 4.27Å
251S96.6Very high96.3Very high0 Ų029.8 Ų29.80%016%0.155CC..Hα-helixtrans-57.8-29.1-178.4-67.90000112.7F255 D256 E317 A318 K320 L322S251-F255 WeakPolarHBondContact O-CB 3.43Å; S251-F255 PolarHBondContact O-N 2.84Å; S251-D256 PolarHBondContact O-N 3.25Å; S251-E317 WeakPolarHBondContact CB-O 3.37Å; S251-E317 PolarHBondContact OG-O 2.94Å; S251-A318 PolarHBondContact N-O 3.49Å; S251-K320 WeakPolarHBondContact CB-O 3.45Å; S251-K320 PolarHBondContact N-O 3.18Å; S251-K320 PolarHBondContact OG-O 3.01Å; S251-L322 WeakPolarHBondContact OG-CD2 3.17Å
252F97.2Very high96.2Very high0 Ų025.8 Ų25.80%014%0.137CC..Hα-helixtrans-55.3-55.6171.5-179.6-97000112.2C250 D256 S257 I283 V287 Y291 I292 V295 W313 A318C250-F252 PolarHBondContact O-N 3.31Å; C250-F252 VanDerWaalsContact O-N 3.11Å; F252-D256 WeakPolarHBondContact CA-OD2 3.42Å; F252-D256 HydrophobicContact CD2-CB 4.05Å; F252-D256 PolarHBondContact O-N 3.22Å; F252-D256 VanDerWaalsContact O-N 3.12Å; F252-S257 VanDerWaalsContact O-CB 3.28Å; F252-S257 WeakPolarHBondContact O-CB 3.14Å; F252-S257 PolarHBondContact O-N 3.14Å; F252-S257 PolarHBondContact O-OG 3.39Å; F252-I283 HydrophobicContact CB-CG2 4.29Å; F252-V287 HydrophobicContact CD1-CG2 4.12Å; F252-V287 HydrophobicContact CE1-CB 4.45Å; F252-V287 HydrophobicContact CE1-CG1 3.74Å; F252-V287 HydrophobicContact CE1-CG2 4.09Å; F252-V287 HydrophobicContact CZ-CG1 4.11Å; F252-Y291 HydrophobicContact CE1-CD1 4.05Å; F252-Y291 AromaticContact CE1-CE1 3.68Å; F252-Y291 HydrophobicContact CE1-CE1 3.68Å; F252-Y291 AromaticContact CZ-CD1 3.85Å; F252-Y291 HydrophobicContact CZ-CD1 3.85Å; F252-Y291 AromaticContact CZ-CE1 3.63Å; F252-Y291 HydrophobicContact CZ-CE1 3.63Å; F252-I292 HydrophobicContact CE2-CG1 4.25Å; F252-I292 HydrophobicContact CZ-CG1 4.25Å; F252-V295 HydrophobicContact CE2-CB 4.07Å; F252-V295 HydrophobicContact CE2-CG1 3.97Å; F252-V295 HydrophobicContact CE2-CG2 4.15Å; F252-V295 HydrophobicContact CZ-CB 4.48Å; F252-V295 HydrophobicContact CZ-CG2 4.07Å; F252-W313 HydrophobicContact CD2-CZ2 4.13Å; F252-A318 HydrophobicContact CB-CB 4.11Å; F252-A318 HydrophobicContact CD2-CB 4.46Å; F252-A318 PolarHBondContact N-O 3.32Å
253W96.9Very high96Very high6 Ų631.1 Ų31.12%0.02316%0.162CC..Hα-helixtrans-73.7-36.6-178.1-76.4113.2000112.5E249 C250 S257 V287 Y291 A332 R333 H336E249-W253 HydrophobicContact CG-CB 3.83Å; E249-W253 WeakPolarHBondContact OE1-CB 3.49Å; C250-W253 PolarHBondContact O-N 3.13Å; W253-S257 WeakPolarHBondContact CA-OG 3.49Å; W253-S257 PolarHBondContact O-OG 3.05Å; W253-V287 HydrophobicContact CZ2-CG1 4.21Å; W253-V287 HydrophobicContact CZ2-CG2 3.69Å; W253-V287 VanDerWaalsContact NE1-CG2 3.26Å; W253-Y291 HydrophobicContact CH2-CD1 4.36Å; W253-Y291 AromaticContact CH2-CE1 3.76Å; W253-Y291 HydrophobicContact CH2-CE1 3.76Å; W253-Y291 AromaticContact CZ3-CE1 3.99Å; W253-Y291 HydrophobicContact CZ3-CE1 3.99Å; W253-A332 HydrophobicContact CE3-CB 4.1Å; W253-A332 HydrophobicContact CZ3-CB 4.29Å; W253-R333 HydrophobicContact CD2-CG 3.55Å; W253-R333 HydrophobicContact CE3-CB 4.4Å; W253-R333 HydrophobicContact CE3-CG 3.51Å; W253-R333 HydrophobicContact CG-CG 4.04Å; W253-R333 HydrophobicContact CH2-CG 4.33Å; W253-R333 HydrophobicContact CZ2-CG 4.36Å; W253-R333 HydrophobicContact CZ3-CB 4.41Å; W253-R333 HydrophobicContact CZ3-CG 3.92Å; W253-H336 HydrophobicContact CH2-CB 3.8Å; W253-H336 AromaticContact CH2-CG 3.75Å; W253-H336 AromaticContact CH2-ND1 3.68Å; W253-H336 HydrophobicContact CZ3-CB 4.06Å
254N96.7Very high95.9Very high0 Ų029 Ų290%015%0.145CC..Hα-helixtrans-73.4-30.2-179.4-168.987.3000112.8E249 C250 L258 L322 T325 H326 A329E249-N254 HydrophobicContact CB-CB 4.3Å; E249-N254 HydrophobicContact CG-CB 3.85Å; C250-N254 PolarHBondContact O-N 3.27Å; N254-L258 WeakPolarHBondContact O-CD1 3.1Å; N254-L322 HydrophobicContact CB-CD1 3.87Å; N254-L322 HydrophobicContact CB-CD2 4.33Å; N254-T325 PolarHBondContact ND2-OG1 3.24Å; N254-T325 PolarHBondContact OD1-N 3.12Å; N254-T325 VanDerWaalsContact OD1-N 3.13Å; N254-T325 PolarHBondContact OD1-OG1 2.91Å; N254-H326 PolarHBondContact O-CE1 3.02Å; N254-A329 HydrophobicContact CB-CB 4.36Å
255F97.3Very high95.7Very high1 Ų132 Ų320%0.00416%0.164CC..THydrogen-bonded Turntrans-130.1-58.9-174.7-57.9-58.6000114S251 S257 L258 Q260 R267 T272 L322 T325S251-F255 WeakPolarHBondContact O-CB 3.43Å; S251-F255 PolarHBondContact O-N 2.84Å; F255-S257 PolarHBondContact O-N 2.77Å; F255-L258 WeakPolarHBondContact O-CB 3.39Å; F255-L258 PolarHBondContact O-N 2.93Å; F255-Q260 HydrophobicContact CB-CB 4.34Å; F255-Q260 WeakPolarHBondContact O-CB 3.42Å; F255-Q260 PolarHBondContact O-N 3.05Å; F255-R267 HydrophobicContact CB-CG 4.48Å; F255-R267 HydrophobicContact CD1-CG 4.17Å; F255-R267 HydrophobicContact CD2-CG 3.66Å; F255-R267 HydrophobicContact CE1-CG 4.21Å; F255-R267 HydrophobicContact CE2-CB 4.34Å; F255-R267 HydrophobicContact CE2-CG 3.69Å; F255-R267 HydrophobicContact CG-CG 3.87Å; F255-R267 HydrophobicContact CZ-CG 3.96Å; F255-T272 HydrophobicContact CZ-CG2 4.42Å; F255-L322 HydrophobicContact CD2-CD2 3.94Å; F255-L322 HydrophobicContact CE2-CD2 3.31Å; F255-L322 HydrophobicContact CZ-CD2 4.15Å; F255-T325 HydrophobicContact CZ-CG2 4.1Å
256D97.2Very high95.6Very high1 Ų125.8 Ų25.81%0.00514%0.135CC..G310 helixtrans-64.3-40.9-168.9-60-62.5000112.2S251 F252 L258 F259 Q262 R267 V295 H299 W313 A318S251-D256 PolarHBondContact O-N 3.25Å; F252-D256 WeakPolarHBondContact CA-OD2 3.42Å; F252-D256 HydrophobicContact CD2-CB 4.05Å; F252-D256 PolarHBondContact O-N 3.22Å; F252-D256 VanDerWaalsContact O-N 3.12Å; D256-L258 PolarHBondContact O-N 3.08Å; D256-F259 PolarHBondContact O-N 3.3Å; D256-Q262 WeakPolarHBondContact OD1-CG 3.36Å; D256-Q262 PolarHBondContact OD1-NE2 3.12Å; D256-R267 IonicContact OD1-CZ 3.9Å; D256-R267 IonicContact OD1-NH1 3.66Å; D256-R267 PolarHBondContact OD1-NH1 3.49Å; D256-R267 IonicContact OD2-NH1 3.01Å; D256-R267 PolarHBondContact OD2-NH1 2.99Å; D256-R267 IonicContact OD2-NH2 3.68Å; D256-V295 HydrophobicContact CB-CG1 4.22Å; D256-H299 PolarHBondContact O-CE1 2.97Å; D256-H299 PolarHBondContact O-NE2 3.22Å; D256-W313 HydrophobicContact CB-CZ2 4.24Å; D256-W313 PolarHBondContact OD1-NE1 2.81Å; D256-W313 VanDerWaalsContact OD1-NE1 3.08Å; D256-A318 WeakPolarHBondContact OD2-CA 3.32Å; D256-A318 VanDerWaalsContact OD2-CB 3.29Å; D256-A318 WeakPolarHBondContact OD2-CB 3.12Å
257S96.8Very high95.6Very high2 Ų224.6 Ų24.61%0.01413%0.127CC..G310 helixtrans-64-19.817877.90000113.3F252 W253 F255 F259 A332 M441F252-S257 VanDerWaalsContact O-CB 3.28Å; F252-S257 WeakPolarHBondContact O-CB 3.14Å; F252-S257 PolarHBondContact O-N 3.14Å; F252-S257 PolarHBondContact O-OG 3.39Å; W253-S257 WeakPolarHBondContact CA-OG 3.49Å; W253-S257 PolarHBondContact O-OG 3.05Å; F255-S257 PolarHBondContact O-N 2.77Å; S257-F259 VanDerWaalsContact C-N 3.34Å; S257-A332 WeakPolarHBondContact OG-CB 3.2Å; S257-M441 WeakPolarHBondContact O-CG 3.44Å
258L97.4Very high95.3Very high0 Ų023.2 Ų23.20%013%0.128CC..G310 helixtrans-89.81175.6-59.7-179.7000112.3N254 F255 D256 Q260 T328 A332 Y411 M441N254-L258 WeakPolarHBondContact O-CD1 3.1Å; F255-L258 WeakPolarHBondContact O-CB 3.39Å; F255-L258 PolarHBondContact O-N 2.93Å; D256-L258 PolarHBondContact O-N 3.08Å; L258-Q260 VanDerWaalsContact C-N 3.25Å; L258-Q260 PolarHBondContact O-N 3.09Å; L258-T328 HydrophobicContact CD1-CG2 3.89Å; L258-T328 HydrophobicContact CD2-CG2 3.85Å; L258-A332 HydrophobicContact CD2-CB 3.69Å; L258-Y411 HydrophobicContact CB-CD1 4.25Å; L258-Y411 HydrophobicContact CB-CG 4.33Å; L258-Y411 HydrophobicContact CD1-CD1 4.32Å; L258-Y411 WeakPolarHBondContact O-CA 3.47Å; L258-Y411 WeakPolarHBondContact O-CB 3.24Å; L258-M441 HydrophobicContact CD2-CE 3.44Å; L258-M441 VanDerWaalsContact CD2-CE 3.44Å; L258-M441 HydrophobicContact CD2-SD 3.86Å
259F97.1Very high94.8Very high7 Ų723.7 Ų23.73%0.03114%0.138CC..THydrogen-bonded Turntrans63.828.9-170.9-164.9-111.7000113.2D256 S257 V298 H299 Y309 E440 M441D256-F259 PolarHBondContact O-N 3.3Å; S257-F259 VanDerWaalsContact C-N 3.34Å; F259-V298 HydrophobicContact CD2-CG1 3.99Å; F259-V298 HydrophobicContact CE2-CG1 3.68Å; F259-H299 AromaticContact CD2-CD2 3.85Å; F259-H299 AromaticContact CD2-NE2 3.81Å; F259-Y309 AromaticContact CD1-CE2 3.99Å; F259-Y309 HydrophobicContact CD1-CE2 3.99Å; F259-Y309 AromaticContact CD2-CE2 3.98Å; F259-Y309 HydrophobicContact CD2-CE2 3.98Å; F259-Y309 AromaticContact CE1-CE2 3.76Å; F259-Y309 HydrophobicContact CE1-CE2 3.76Å; F259-Y309 AromaticContact CE1-CZ 3.75Å; F259-Y309 HydrophobicContact CE2-CD2 4.06Å; F259-Y309 AromaticContact CE2-CE2 3.71Å; F259-Y309 HydrophobicContact CE2-CE2 3.71Å; F259-Y309 HydrophobicContact CG-CE2 4.12Å; F259-Y309 HydrophobicContact CZ-CD2 4.07Å; F259-Y309 AromaticContact CZ-CE2 3.61Å; F259-Y309 HydrophobicContact CZ-CE2 3.61Å; F259-Y309 WeakPolarHBondContact O-CE2 3.36Å; F259-Y309 PolarHBondContact O-OH 3.16Å; F259-E440 HydrophobicContact CB-CB 4.34Å; F259-E440 HydrophobicContact CD1-CB 3.66Å; F259-E440 HydrophobicContact CD1-CG 4.29Å; F259-E440 HydrophobicContact CD2-CB 3.65Å; F259-E440 HydrophobicContact CE1-CB 3.72Å; F259-E440 HydrophobicContact CE1-CG 3.86Å; F259-E440 HydrophobicContact CE2-CB 3.74Å; F259-E440 HydrophobicContact CE2-CG 4.17Å; F259-E440 HydrophobicContact CG-CB 3.6Å; F259-E440 HydrophobicContact CZ-CB 3.76Å; F259-E440 HydrophobicContact CZ-CG 3.78Å; F259-M441 HydrophobicContact CB-CB 4.26Å
260Q96.5Very high94.3Very high6 Ų631.2 Ų31.23%0.02817%0.173CC..  trans-86.8128168-174.6172.7-55.100110F255 L258 H264 H299 P410F255-Q260 HydrophobicContact CB-CB 4.34Å; F255-Q260 WeakPolarHBondContact O-CB 3.42Å; F255-Q260 PolarHBondContact O-N 3.05Å; L258-Q260 VanDerWaalsContact C-N 3.25Å; L258-Q260 PolarHBondContact O-N 3.09Å; Q260-H264 HydrophobicContact CG-CB 3.84Å; Q260-H264 PolarHBondContact NE2-ND1 3.34Å; Q260-H299 PolarHBondContact O-CE1 3.42Å; Q260-P410 HydrophobicContact CB-CB 4.22Å; Q260-P410 HydrophobicContact CG-CB 4.14Å; Q260-P410 HydrophobicContact CG-CG 4.19Å
261P95.6Very high94.1Very high16 Ų1634.2 Ų34.210%0.10419%0.188CC..  trans-67.9155.4-172.624.2-27.8000112.2Q263 H264 R267 Y309P261-Q263 VanDerWaalsContact C-N 3.29Å; P261-Q263 PolarHBondContact O-N 3.36Å; P261-H264 HydrophobicContact CG-CB 4.05Å; P261-H264 WeakPolarHBondContact O-CB 3.17Å; P261-H264 PolarHBondContact O-N 3.47Å; P261-R267 WeakPolarHBondContact O-CD 2.99Å; P261-Y309 HydrophobicContact CB-CD1 4.01Å; P261-Y309 HydrophobicContact CB-CD2 3.82Å; P261-Y309 HydrophobicContact CB-CE1 4.06Å; P261-Y309 HydrophobicContact CB-CE2 3.86Å; P261-Y309 HydrophobicContact CB-CG 3.9Å; P261-Y309 HydrophobicContact CG-CD1 4.21Å; P261-Y309 HydrophobicContact CG-CE1 3.84Å; P261-Y309 HydrophobicContact CG-CE2 4.21Å
262Q95.7Very high94Very high20 Ų2034.4 Ų34.49%0.09319%0.189CC..THydrogen-bonded Turntrans-68.2-27.1-178.5-61.2-164.1-35.900113.4D256 H264 R267 W313 L314D256-Q262 WeakPolarHBondContact OD1-CG 3.36Å; D256-Q262 PolarHBondContact OD1-NE2 3.12Å; Q262-H264 VanDerWaalsContact C-N 3.28Å; Q262-H264 PolarHBondContact O-N 3.34Å; Q262-R267 WeakPolarHBondContact O-CD 3.4Å; Q262-W313 VanDerWaalsContact NE2-NE1 3.18Å; Q262-L314 PolarHBondContact NE2-O 3.18Å
263Q93Very high93.9Very high117 Ų11737.5 Ų37.555%0.54720%0.203SC..THydrogen-bonded Turntrans-88.812.3175.9-47.383.211.700113P261P261-Q263 VanDerWaalsContact C-N 3.29Å; P261-Q263 PolarHBondContact O-N 3.36Å
264H93Very high93.9Very high38 Ų3840.3 Ų40.318%0.17622%0.215CC..  trans-67.4134-179.1-168.8-82.6000110.5Q260 P261 Q262 A266 R267Q260-H264 HydrophobicContact CG-CB 3.84Å; Q260-H264 PolarHBondContact NE2-ND1 3.34Å; P261-H264 HydrophobicContact CG-CB 4.05Å; P261-H264 WeakPolarHBondContact O-CB 3.17Å; P261-H264 PolarHBondContact O-N 3.47Å; Q262-H264 VanDerWaalsContact C-N 3.28Å; Q262-H264 PolarHBondContact O-N 3.34Å; H264-A266 VanDerWaalsContact ND1-CB 3.27Å; H264-A266 WeakPolarHBondContact ND1-CB 3.49Å; H264-A266 PolarHBondContact ND1-N 2.93Å; H264-A266 VanDerWaalsContact ND1-N 3.13Å; H264-A266 PolarHBondContact O-N 3.19Å; H264-A266 VanDerWaalsContact O-N 3.13Å; H264-R267 HydrophobicContact CB-CG 4.45Å; H264-R267 WeakPolarHBondContact O-CB 3.37Å; H264-R267 PolarHBondContact O-N 3.11Å
265P93.4Very high93.8Very high74 Ų7441.9 Ų41.948%0.48122%0.224SC..G310 helixtrans-57.5-34.1-175.521-33.7000113.2R267 D268 D271P265-R267 PolarHBondContact O-N 3.3Å; P265-D268 WeakPolarHBondContact O-CB 3.49Å; P265-D268 PolarHBondContact O-N 2.98Å; P265-D271 VanDerWaalsContact O-OD2 3.09Å
266A90.9Very high93.7Very high29 Ų2947.3 Ų47.324%0.2426%0.262CS..G310 helixtrans-59.6-12.7174.500000114.7H264 T272H264-A266 VanDerWaalsContact ND1-CB 3.27Å; H264-A266 WeakPolarHBondContact ND1-CB 3.49Å; H264-A266 PolarHBondContact ND1-N 2.93Å; H264-A266 VanDerWaalsContact ND1-N 3.13Å; H264-A266 PolarHBondContact O-N 3.19Å; H264-A266 VanDerWaalsContact O-N 3.13Å; A266-T272 PolarHBondContact O-OG1 3.25Å
267R92.6Very high93.6Very high14 Ų1453.8 Ų53.85%0.05330%0.296CS..G310 helixtrans-90.5-1.3172.9-59.4-173.565.6155.7-3.3112.9F255 D256 P261 Q262 H264 P265 F274 E317F255-R267 HydrophobicContact CB-CG 4.48Å; F255-R267 HydrophobicContact CD1-CG 4.17Å; F255-R267 HydrophobicContact CD2-CG 3.66Å; F255-R267 HydrophobicContact CE1-CG 4.21Å; F255-R267 HydrophobicContact CE2-CB 4.34Å; F255-R267 HydrophobicContact CE2-CG 3.69Å; F255-R267 HydrophobicContact CG-CG 3.87Å; F255-R267 HydrophobicContact CZ-CG 3.96Å; D256-R267 IonicContact OD1-CZ 3.9Å; D256-R267 IonicContact OD1-NH1 3.66Å; D256-R267 PolarHBondContact OD1-NH1 3.49Å; D256-R267 IonicContact OD2-NH1 3.01Å; D256-R267 PolarHBondContact OD2-NH1 2.99Å; D256-R267 IonicContact OD2-NH2 3.68Å; P261-R267 WeakPolarHBondContact O-CD 2.99Å; Q262-R267 WeakPolarHBondContact O-CD 3.4Å; H264-R267 HydrophobicContact CB-CG 4.45Å; H264-R267 WeakPolarHBondContact O-CB 3.37Å; H264-R267 PolarHBondContact O-N 3.11Å; P265-R267 PolarHBondContact O-N 3.3Å; R267-F274 WeakPolarHBondContact O-CE2 3.28Å; R267-F274 WeakPolarHBondContact O-CZ 3.33Å; R267-E317 PolarHBondContact NH2-O 3.33Å
268D90.8Very high93.5Very high89 Ų8956.8 Ų56.848%0.47632%0.316SS..SBendtrans-72.7150176.2-70-28.4000110.6P265 H270 D271 T272P265-D268 WeakPolarHBondContact O-CB 3.49Å; P265-D268 PolarHBondContact O-N 2.98Å; D268-H270 PolarHBondContact O-N 3.4Å; D268-H270 VanDerWaalsContact O-N 3.07Å; D268-D271 PolarHBondContact O-N 3.27Å; D268-T272 PolarHBondContact O-N 3.13Å
269A85.3Confident93.4Very high68 Ų6862.1 Ų62.156%0.56234%0.341SS*.THydrogen-bonded Turntrans-60.9-18.8177.300000113.1N358A269-N358 PolarHBondContact O-ND2 3.12Å
270H85.5Confident93.2Very high160 Ų16066.4 Ų66.474%0.74136%0.363SS*.THydrogen-bonded Turntrans-73.5-24.2173.8-70.5-63.7000113.5D268D268-H270 PolarHBondContact O-N 3.4Å; D268-H270 VanDerWaalsContact O-N 3.07Å
271D90Very high92.9Very high70 Ų7068.2 Ų68.237%0.37438%0.377SS..THydrogen-bonded Turntrans-108.8-26.7-177.9-72.8-37.3000112.6P265 D268 N358P265-D271 VanDerWaalsContact O-OD2 3.09Å; D268-D271 PolarHBondContact O-N 3.27Å; D271-N358 PolarHBondContact O-N 3.29Å
272T94.7Very high92.7Very high4 Ų470.6 Ų70.63%0.02539%0.388CS..SBendtrans-124.3136.7-173.8-690000112.6F255 A266 D268 F274 L322 T325F255-T272 HydrophobicContact CZ-CG2 4.42Å; A266-T272 PolarHBondContact O-OG1 3.25Å; D268-T272 PolarHBondContact O-N 3.13Å; T272-F274 HydrophobicContact CG2-CD2 4.24Å; T272-F274 HydrophobicContact CG2-CE2 3.94Å; T272-F274 HydrophobicContact CG2-CZ 4.17Å; T272-F274 PolarHBondContact O-N 3.33Å; T272-L322 HydrophobicContact CG2-CB 3.86Å; T272-L322 HydrophobicContact CG2-CD1 4.43Å; T272-L322 HydrophobicContact CG2-CD2 3.97Å; T272-L322 HydrophobicContact CG2-CG 4.31Å; T272-T325 HydrophobicContact CG2-CG2 3.7Å; T272-T325 WeakPolarHBondContact OG1-CG2 2.95Å
273F96Very high92.5Very high65 Ų6569.6 Ų69.629%0.28538%0.384SS..  trans-8198171.7-63.2-63000110.9L322 L323 F356 R357 N358 A367F273-L322 CarbonylContact O-C 3.2Å; F273-L322 VanDerWaalsContact O-CA 3.28Å; F273-L322 WeakPolarHBondContact O-CA 3.45Å; F273-L322 WeakPolarHBondContact O-CB 3.26Å; F273-L323 HydrophobicContact CB-CB 4.18Å; F273-L323 HydrophobicContact CB-CD1 3.94Å; F273-L323 HydrophobicContact CB-CG 4.19Å; F273-L323 HydrophobicContact CD2-CD1 4.35Å; F273-L323 HydrophobicContact CG-CD1 4.39Å; F273-L323 PolarHBondContact O-N 3.05Å; F273-F356 HydrophobicContact CD2-CB 3.95Å; F273-F356 HydrophobicContact CE2-CB 4.45Å; F273-R357 VanDerWaalsContact CE2-O 3.22Å; F273-R357 WeakPolarHBondContact CE2-O 3.22Å; F273-N358 HydrophobicContact CD1-CB 3.96Å; F273-N358 HydrophobicContact CD2-CB 4.4Å; F273-N358 HydrophobicContact CE1-CB 3.68Å; F273-N358 VanDerWaalsContact CE1-CG 3.4Å; F273-N358 WeakPolarHBondContact CE1-OD1 3.35Å; F273-N358 HydrophobicContact CE2-CB 4.18Å; F273-N358 HydrophobicContact CG-CB 4.31Å; F273-N358 HydrophobicContact CZ-CB 3.81Å; F273-A367 HydrophobicContact CE2-CB 4.24Å; F273-A367 HydrophobicContact CZ-CB 4.21Å
274F96Very high92.3Very high65 Ų6567.1 Ų67.129%0.28537%0.374SS..BIsolated β-bridgetrans-76.2151.5167.5-69.4-85.5000111.2R267 T272 K320 L322R267-F274 WeakPolarHBondContact O-CE2 3.28Å; R267-F274 WeakPolarHBondContact O-CZ 3.33Å; T272-F274 HydrophobicContact CG2-CD2 4.24Å; T272-F274 HydrophobicContact CG2-CE2 3.94Å; T272-F274 HydrophobicContact CG2-CZ 4.17Å; T272-F274 PolarHBondContact O-N 3.33Å; F274-K320 HydrophobicContact CD1-CB 4.2Å; F274-K320 HydrophobicContact CE1-CB 4.22Å; F274-K320 HydrophobicContact CE1-CD 4.44Å; F274-L322 HydrophobicContact CD1-CB 4.07Å; F274-L322 HydrophobicContact CE1-CB 4.36Å; F274-L322 HydrophobicContact CE1-CD2 4.01Å
275L96Very high92.1Very high33 Ų3373.4 Ų73.417%0.17340%0.401CS..  trans-89.4140.1178.6-61.6-172.5000111.5V248 P278 E279 N321 L323V248-L275 HydrophobicContact CB-CD1 4.12Å; V248-L275 HydrophobicContact CG1-CD1 3.39Å; V248-L275 HydrophobicContact CG2-CD1 3.62Å; L275-P278 HydrophobicContact CD1-CG 4.45Å; L275-E279 WeakPolarHBondContact O-CA 3.47Å; L275-N321 HydrophobicContact CB-CB 4.31Å; L275-N321 HydrophobicContact CD1-CB 3.96Å; L275-N321 HydrophobicContact CG-CB 4.3Å; L275-N321 PolarHBondContact N-O 3.44Å; L275-L323 HydrophobicContact CD2-CD2 3.97Å; L275-L323 HydrophobicContact CD2-CG 4.06Å
276S95.2Very high91.7Very high116 Ų11674.4 Ų74.481%0.81141%0.406SS*.SBendtrans-84.9-27.2164.658.50000112.3
277D94.5Very high91.7Very high136 Ų13673.3 Ų73.373%0.72740%0.396SS*.THydrogen-bonded Turntrans-153.2121176.5-177.227.8000109.7
278P94.1Very high91.6Very high66 Ų6676.9 Ų76.943%0.42941%0.414SS..THydrogen-bonded Turncis-74.1119.6-10.929.6-33.6000111.5L275 N321L275-P278 HydrophobicContact CD1-CG 4.45Å; P278-N321 VanDerWaalsContact O-CB 3.25Å; P278-N321 WeakPolarHBondContact O-CB 3.47Å; P278-N321 PolarHBondContact O-ND2 3.41Å
279E94.6Very high91.7Very high112 Ų11276.2 Ų76.252%0.52341%0.413SS..  trans-66-41.9-177-173.7-177.1172.400113.3L275 N321L275-E279 WeakPolarHBondContact O-CA 3.47Å; E279-N321 PolarHBondContact O-N 2.94Å
280I94.5Very high92.2Very high96 Ų9676.1 Ų76.149%0.49241%0.407SS..BIsolated β-bridgetrans-126.7144.1-171.8-58.2179.5000109.2E319I280-E319 WeakPolarHBondContact CA-O 3.31Å; I280-E319 HydrophobicContact CG2-CB 3.61Å
281S90.3Very high92.7Very high45 Ų4568.7 Ų68.732%0.31537%0.373SS..  trans-122.7131.9167.1-79.50000111.2I283 E319 N321S281-I283 PolarHBondContact O-N 3.3Å; S281-E319 PolarHBondContact N-O 3.39Å; S281-E319 WeakPolarHBondContact O-CB 3.31Å; S281-E319 WeakPolarHBondContact O-CG 3.3Å; S281-N321 WeakPolarHBondContact CB-OD1 3.49Å; S281-N321 PolarHBondContact OG-ND2 3.16Å; S281-N321 PolarHBondContact OG-OD1 3.23Å
282D90.6Very high93Very high65 Ų6565.4 Ų65.435%0.34836%0.355SS..  trans-67.595.6172178.6-4.5000109.2N284 K285D282-N284 PolarHBondContact O-N 3.05Å; D282-N284 WeakPolarHBondContact OD1-CB 3.37Å; D282-N284 PolarHBondContact OD1-N 3.13Å; D282-K285 HydrophobicContact CB-CD 4.05Å; D282-K285 HydrophobicContact CB-CG 4.33Å; D282-K285 WeakPolarHBondContact O-CB 3.26Å; D282-K285 PolarHBondContact O-N 2.78Å; D282-K285 WeakPolarHBondContact OD2-CD 3.41Å; D282-K285 WeakPolarHBondContact OD2-CE 3.44Å; D282-K285 WeakPolarHBondContact OD2-CG 3.48Å; D282-K285 IonicContact OD2-NZ 2.64Å; D282-K285 PolarHBondContact OD2-NZ 3.38Å
283I91.2Very high93Very high0 Ų067.8 Ų67.80%037%0.368CS..G310 helixtrans-65.7-25.7-175.959.3176.3000111.8C250 F252 S281 K285 T286 V287 I292 M315 A318 E319C250-I283 HydrophobicContact CB-CG2 4.27Å; F252-I283 HydrophobicContact CB-CG2 4.29Å; S281-I283 PolarHBondContact O-N 3.3Å; I283-K285 PolarHBondContact O-N 3.06Å; I283-T286 PolarHBondContact O-N 3.12Å; I283-T286 PolarHBondContact O-OG1 3.31Å; I283-V287 PolarHBondContact O-N 3.35Å; I283-I292 HydrophobicContact CB-CD1 4.46Å; I283-I292 HydrophobicContact CD1-CD1 3.95Å; I283-I292 HydrophobicContact CD1-CG1 4.5Å; I283-I292 HydrophobicContact CD1-CG2 4.35Å; I283-I292 HydrophobicContact CG1-CD1 3.9Å; I283-M315 HydrophobicContact CD1-CG 4.49Å; I283-A318 HydrophobicContact CD1-CB 4.19Å; I283-E319 HydrophobicContact CD1-CG 4.07Å; I283-E319 HydrophobicContact CG1-CG 3.9Å; I283-E319 HydrophobicContact CG2-CG 4.15Å
284N89.1Confident93Very high64 Ų6469.1 Ų69.134%0.34237%0.374SS..G310 helixtrans-66.2-20.6178.5-65-69.7000112.4D282D282-N284 PolarHBondContact O-N 3.05Å; D282-N284 WeakPolarHBondContact OD1-CB 3.37Å; D282-N284 PolarHBondContact OD1-N 3.13Å
285K88.7Confident93.1Very high170 Ų17066.3 Ų66.374%0.73936%0.361SS*.G310 helixtrans-76.6-22.5173.1-71176.2-179.7155.90113.6D282 I283D282-K285 HydrophobicContact CB-CD 4.05Å; D282-K285 HydrophobicContact CB-CG 4.33Å; D282-K285 WeakPolarHBondContact O-CB 3.26Å; D282-K285 PolarHBondContact O-N 2.78Å; D282-K285 WeakPolarHBondContact OD2-CD 3.41Å; D282-K285 WeakPolarHBondContact OD2-CE 3.44Å; D282-K285 WeakPolarHBondContact OD2-CG 3.48Å; D282-K285 IonicContact OD2-NZ 2.64Å; D282-K285 PolarHBondContact OD2-NZ 3.38Å; I283-K285 PolarHBondContact O-N 3.06Å
286T84.6Confident93.1Very high96 Ų9669.8 Ų69.859%0.58937%0.372SS*.THydrogen-bonded Turntrans-117.5-19.4-171.562.30000113.7I283I283-T286 PolarHBondContact O-N 3.12Å; I283-T286 PolarHBondContact O-OG1 3.31Å
287V90.7Very high93.2Very high5 Ų566.8 Ų66.83%0.0335%0.349CS..SBendtrans-126.5136.3-177.7-1710000109F252 W253 I283 T289 Y291 I292F252-V287 HydrophobicContact CD1-CG2 4.12Å; F252-V287 HydrophobicContact CE1-CB 4.45Å; F252-V287 HydrophobicContact CE1-CG1 3.74Å; F252-V287 HydrophobicContact CE1-CG2 4.09Å; F252-V287 HydrophobicContact CZ-CG1 4.11Å; W253-V287 HydrophobicContact CZ2-CG1 4.21Å; W253-V287 HydrophobicContact CZ2-CG2 3.69Å; W253-V287 VanDerWaalsContact NE1-CG2 3.26Å; I283-V287 PolarHBondContact O-N 3.35Å; V287-T289 PolarHBondContact O-N 2.97Å; V287-Y291 HydrophobicContact CG1-CD1 3.58Å; V287-Y291 HydrophobicContact CG1-CE1 4.38Å; V287-Y291 HydrophobicContact CG1-CG 4.44Å; V287-I292 HydrophobicContact CB-CD1 4.09Å; V287-I292 HydrophobicContact CB-CG1 4.11Å; V287-I292 HydrophobicContact CG1-CD1 4.34Å; V287-I292 HydrophobicContact CG1-CG1 3.81Å
288E92Very high93.3Very high90 Ų9060.4 Ų60.442%0.42132%0.315SS..  trans-60.7127.5176.7-68.6165.9-165.300110.2C290 Y291 I292 K340E288-C290 PolarHBondContact O-N 3.13Å; E288-C290 VanDerWaalsContact O-N 3.09Å; E288-Y291 WeakPolarHBondContact O-CB 3.2Å; E288-Y291 PolarHBondContact O-N 3.25Å; E288-I292 PolarHBondContact O-N 2.86Å; E288-K340 WeakPolarHBondContact OE1-CE 2.96Å; E288-K340 IonicContact OE1-NZ 2.77Å; E288-K340 PolarHBondContact OE1-NZ 3.08Å
289T93.2Very high93.4Very high74 Ų7457.5 Ų57.545%0.45430%0.296SS..Hα-helixtrans-53.7-34.7-179.7-47.90000111.9V287 Y291 I292 D293V287-T289 PolarHBondContact O-N 2.97Å; T289-Y291 VanDerWaalsContact C-N 3.29Å; T289-Y291 PolarHBondContact O-N 3.31Å; T289-I292 PolarHBondContact O-N 3.17Å; T289-D293 WeakPolarHBondContact O-CB 3.34Å; T289-D293 VanDerWaalsContact O-CG 3.24Å; T289-D293 PolarHBondContact O-N 3.38Å
290C94.1Very high93.5Very high67 Ų6753.4 Ų53.445%0.45328%0.279SS..Hα-helixtrans-62.9-32.4176.870.40000113.4E288 K294E288-C290 PolarHBondContact O-N 3.13Å; E288-C290 VanDerWaalsContact O-N 3.09Å; C290-K294 VanDerWaalsContact O-CG 3.23Å; C290-K294 WeakPolarHBondContact O-CG 3.44Å; C290-K294 PolarHBondContact O-N 2.6Å
291Y96.1Very high93.5Very high4 Ų456.1 Ų56.12%0.01629%0.29CS..Hα-helixtrans-75.4-43.7175.9177.2-138.1000110.6F252 W253 V287 E288 T289 D293 K294 V295 H336 P444 M445F252-Y291 HydrophobicContact CE1-CD1 4.05Å; F252-Y291 AromaticContact CE1-CE1 3.68Å; F252-Y291 HydrophobicContact CE1-CE1 3.68Å; F252-Y291 AromaticContact CZ-CD1 3.85Å; F252-Y291 HydrophobicContact CZ-CD1 3.85Å; F252-Y291 AromaticContact CZ-CE1 3.63Å; F252-Y291 HydrophobicContact CZ-CE1 3.63Å; W253-Y291 HydrophobicContact CH2-CD1 4.36Å; W253-Y291 AromaticContact CH2-CE1 3.76Å; W253-Y291 HydrophobicContact CH2-CE1 3.76Å; W253-Y291 AromaticContact CZ3-CE1 3.99Å; W253-Y291 HydrophobicContact CZ3-CE1 3.99Å; V287-Y291 HydrophobicContact CG1-CD1 3.58Å; V287-Y291 HydrophobicContact CG1-CE1 4.38Å; V287-Y291 HydrophobicContact CG1-CG 4.44Å; E288-Y291 WeakPolarHBondContact O-CB 3.2Å; E288-Y291 PolarHBondContact O-N 3.25Å; T289-Y291 VanDerWaalsContact C-N 3.29Å; T289-Y291 PolarHBondContact O-N 3.31Å; Y291-D293 VanDerWaalsContact C-N 3.3Å; Y291-D293 PolarHBondContact O-N 2.81Å; Y291-K294 PolarHBondContact O-N 3.19Å; Y291-V295 HydrophobicContact CD2-CG2 3.87Å; Y291-V295 HydrophobicContact CE2-CG2 3.43Å; Y291-V295 VanDerWaalsContact CE2-CG2 3.43Å; Y291-V295 WeakPolarHBondContact O-CG2 3.35Å; Y291-V295 PolarHBondContact O-N 2.94Å; Y291-H336 AromaticContact CD1-CD2 3.52Å; Y291-H336 AromaticContact CD1-NE2 3.43Å; Y291-H336 WeakPolarHBondContact CD1-NE2 3.5Å; Y291-H336 AromaticContact CE1-CD2 3.69Å; Y291-H336 AromaticContact CG-CD2 3.87Å; Y291-H336 AromaticContact CG-NE2 3.69Å; Y291-P444 HydrophobicContact CD2-CB 4.21Å; Y291-P444 WeakPolarHBondContact CD2-O 3.41Å; Y291-P444 HydrophobicContact CE2-CB 3.89Å; Y291-M445 HydrophobicContact CE2-CB 4.23Å; Y291-M445 HydrophobicContact CE2-CG 3.61Å; Y291-M445 VanDerWaalsContact OH-CE 3.32Å; Y291-M445 WeakPolarHBondContact OH-CE 3.37Å; Y291-M445 WeakPolarHBondContact OH-CG 3.37Å
292I96Very high93.7Very high0 Ų054.7 Ų54.70%028%0.282CS..Hα-helixtrans-56.7-46.3174.9-58.1171.6000110.4F252 I283 V287 E288 T289 K294 V295 R296 W313 M315F252-I292 HydrophobicContact CE2-CG1 4.25Å; F252-I292 HydrophobicContact CZ-CG1 4.25Å; I283-I292 HydrophobicContact CB-CD1 4.46Å; I283-I292 HydrophobicContact CD1-CD1 3.95Å; I283-I292 HydrophobicContact CD1-CG1 4.5Å; I283-I292 HydrophobicContact CD1-CG2 4.35Å; I283-I292 HydrophobicContact CG1-CD1 3.9Å; V287-I292 HydrophobicContact CB-CD1 4.09Å; V287-I292 HydrophobicContact CB-CG1 4.11Å; V287-I292 HydrophobicContact CG1-CD1 4.34Å; V287-I292 HydrophobicContact CG1-CG1 3.81Å; E288-I292 PolarHBondContact O-N 2.86Å; T289-I292 PolarHBondContact O-N 3.17Å; I292-K294 PolarHBondContact O-N 3.32Å; I292-V295 PolarHBondContact O-N 2.76Å; I292-R296 WeakPolarHBondContact O-CB 3.23Å; I292-R296 PolarHBondContact O-N 3.41Å; I292-W313 HydrophobicContact CG2-CH2 3.98Å; I292-W313 HydrophobicContact CG2-CZ3 4.3Å; I292-M315 HydrophobicContact CG2-CE 3.72Å
293D95.7Very high93.8Very high55 Ų5553 Ų5329%0.29428%0.277SS..Hα-helixtrans-62.5-41.3179.3-73.8-24.8000112.8T289 Y291 R296 T297T289-D293 WeakPolarHBondContact O-CB 3.34Å; T289-D293 VanDerWaalsContact O-CG 3.24Å; T289-D293 PolarHBondContact O-N 3.38Å; Y291-D293 VanDerWaalsContact C-N 3.3Å; Y291-D293 PolarHBondContact O-N 2.81Å; D293-R296 IonicContact OD1-CZ 3.44Å; D293-R296 IonicContact OD1-NE 3.52Å; D293-R296 IonicContact OD1-NH2 3.5Å; D293-R296 PolarHBondContact OD1-NH2 3.49Å; D293-T297 WeakPolarHBondContact O-CB 3.35Å; D293-T297 PolarHBondContact O-N 2.86Å; D293-T297 PolarHBondContact O-OG1 3.04Å
294K96.4Very high93.8Very high93 Ų9358 Ų5840%0.40430%0.299SS..Hα-helixtrans-63.5-47.4174.1-73.3170.7-176.4176.20110.9C290 Y291 I292 R296 T297 V298 P444C290-K294 VanDerWaalsContact O-CG 3.23Å; C290-K294 WeakPolarHBondContact O-CG 3.44Å; C290-K294 PolarHBondContact O-N 2.6Å; Y291-K294 PolarHBondContact O-N 3.19Å; I292-K294 PolarHBondContact O-N 3.32Å; K294-R296 PolarHBondContact O-N 3.11Å; K294-T297 PolarHBondContact O-N 2.69Å; K294-V298 VanDerWaalsContact O-CG2 3.29Å; K294-V298 WeakPolarHBondContact O-CG2 3.39Å; K294-V298 PolarHBondContact O-N 2.75Å; K294-P444 HydrophobicContact CB-CB 3.92Å; K294-P444 VanDerWaalsContact CD-O 3.26Å; K294-P444 WeakPolarHBondContact CD-O 3.34Å
295V96.8Very high93.9Very high5 Ų559.4 Ų59.43%0.0333%0.328CS..Hα-helixtrans-58.1-51177.4171.90000110.1F252 D256 Y291 I292 T297 V298 H299 P444F252-V295 HydrophobicContact CE2-CB 4.07Å; F252-V295 HydrophobicContact CE2-CG1 3.97Å; F252-V295 HydrophobicContact CE2-CG2 4.15Å; F252-V295 HydrophobicContact CZ-CB 4.48Å; F252-V295 HydrophobicContact CZ-CG2 4.07Å; D256-V295 HydrophobicContact CB-CG1 4.22Å; Y291-V295 HydrophobicContact CD2-CG2 3.87Å; Y291-V295 HydrophobicContact CE2-CG2 3.43Å; Y291-V295 VanDerWaalsContact CE2-CG2 3.43Å; Y291-V295 WeakPolarHBondContact O-CG2 3.35Å; Y291-V295 PolarHBondContact O-N 2.94Å; I292-V295 PolarHBondContact O-N 2.76Å; V295-T297 VanDerWaalsContact C-N 3.28Å; V295-T297 PolarHBondContact O-N 3.08Å; V295-V298 PolarHBondContact O-N 3.49Å; V295-H299 WeakPolarHBondContact O-CB 3.28Å; V295-H299 PolarHBondContact O-CD2 3.43Å; V295-H299 PolarHBondContact O-N 2.9Å; V295-P444 HydrophobicContact CG2-CB 4.17Å
296R96.7Very high94.2Very high107 Ų10752.5 Ų52.540%0.40430%0.302SS..Hα-helixtrans-52.3-45.4175.1174.7174.860.1139.6-2.2112.3I292 D293 K294 S300 W313I292-R296 WeakPolarHBondContact O-CB 3.23Å; I292-R296 PolarHBondContact O-N 3.41Å; D293-R296 IonicContact OD1-CZ 3.44Å; D293-R296 IonicContact OD1-NE 3.52Å; D293-R296 IonicContact OD1-NH2 3.5Å; D293-R296 PolarHBondContact OD1-NH2 3.49Å; K294-R296 PolarHBondContact O-N 3.11Å; R296-S300 WeakPolarHBondContact O-CB 3.25Å; R296-S300 PolarHBondContact O-N 3.41Å; R296-S300 PolarHBondContact O-OG 3.48Å; R296-W313 HydrophobicContact CB-CD2 4.07Å; R296-W313 HydrophobicContact CB-CE3 3.77Å; R296-W313 HydrophobicContact CB-CG 4.47Å; R296-W313 HydrophobicContact CB-CZ3 4.28Å; R296-W313 HydrophobicContact CG-CB 4.23Å; R296-W313 HydrophobicContact CG-CD2 4.24Å; R296-W313 HydrophobicContact CG-CE3 3.76Å; R296-W313 HydrophobicContact CG-CG 4.46Å
297T96.7Very high94.7Very high53 Ų5356.5 Ų56.533%0.32531%0.306SS..Hα-helixtrans-65.9-47.4179.6-55.50000111.5D293 K294 V295 H299 S300 Q301 G302D293-T297 WeakPolarHBondContact O-CB 3.35Å; D293-T297 PolarHBondContact O-N 2.86Å; D293-T297 PolarHBondContact O-OG1 3.04Å; K294-T297 PolarHBondContact O-N 2.69Å; V295-T297 VanDerWaalsContact C-N 3.28Å; V295-T297 PolarHBondContact O-N 3.08Å; T297-H299 PolarHBondContact O-N 2.96Å; T297-S300 PolarHBondContact O-N 3.34Å; T297-Q301 PolarHBondContact O-N 2.96Å; T297-G302 PolarHBondContact O-N 3.03Å; T297-G302 VanDerWaalsContact O-N 3.12Å
298V96.8Very high94.9Very high2 Ų257 Ų571%0.01231%0.313CS..Hα-helixtrans-64.8-39.4-179.6176.40000112.1F259 K294 V295 G302 A303 F304 G308 E440 P444F259-V298 HydrophobicContact CD2-CG1 3.99Å; F259-V298 HydrophobicContact CE2-CG1 3.68Å; K294-V298 VanDerWaalsContact O-CG2 3.29Å; K294-V298 WeakPolarHBondContact O-CG2 3.39Å; K294-V298 PolarHBondContact O-N 2.75Å; V295-V298 PolarHBondContact O-N 3.49Å; V298-G302 WeakPolarHBondContact O-CA 3.47Å; V298-G302 PolarHBondContact O-N 3.24Å; V298-A303 HydrophobicContact CG2-CB 3.71Å; V298-F304 HydrophobicContact CG2-CD2 3.77Å; V298-F304 HydrophobicContact CG2-CE2 3.54Å; V298-G308 VanDerWaalsContact O-CA 3.22Å; V298-G308 WeakPolarHBondContact O-CA 3.49Å; V298-E440 HydrophobicContact CG1-CB 3.75Å; V298-E440 HydrophobicContact CG1-CG 4.11Å; V298-P444 HydrophobicContact CB-CG 4.3Å; V298-P444 HydrophobicContact CG2-CG 3.74Å
299H96.9Very high95.1Very high5 Ų556.1 Ų56.12%0.02331%0.306CS..Hα-helixtrans-67-45.9176.1-85.5-104.9000112.6D256 F259 Q260 V295 T297 Y309 W313D256-H299 PolarHBondContact O-CE1 2.97Å; D256-H299 PolarHBondContact O-NE2 3.22Å; F259-H299 AromaticContact CD2-CD2 3.85Å; F259-H299 AromaticContact CD2-NE2 3.81Å; Q260-H299 PolarHBondContact O-CE1 3.42Å; V295-H299 WeakPolarHBondContact O-CB 3.28Å; V295-H299 PolarHBondContact O-CD2 3.43Å; V295-H299 PolarHBondContact O-N 2.9Å; T297-H299 PolarHBondContact O-N 2.96Å; H299-Y309 AromaticContact ND1-CD2 3.78Å; H299-Y309 AromaticContact ND1-CE2 3.93Å; H299-Y309 PolarHBondContact O-N 3.49Å; H299-W313 HydrophobicContact CB-CB 4.46Å; H299-W313 HydrophobicContact CB-CG 4.37Å; H299-W313 AromaticContact CG-CD1 3.91Å
300S95.8Very high95.1Very high25 Ų2558.8 Ų58.818%0.17531%0.313CS..Hα-helixtrans-84.9-51.6-17258.60000113.8R296 T297 Q310 S311R296-S300 WeakPolarHBondContact O-CB 3.25Å; R296-S300 PolarHBondContact O-N 3.41Å; R296-S300 PolarHBondContact O-OG 3.48Å; T297-S300 PolarHBondContact O-N 3.34Å; S300-Q310 VanDerWaalsContact O-CA 3.26Å; S300-Q310 WeakPolarHBondContact O-CA 3.41Å; S300-Q310 PolarHBondContact O-N 3.35Å; S300-S311 VanDerWaalsContact CA-O 3.28Å; S300-S311 WeakPolarHBondContact CA-O 3.44Å; S300-S311 VanDerWaalsContact CB-O 3.27Å; S300-S311 WeakPolarHBondContact CB-O 3.42Å
301Q95.2Very high95Very high154 Ų15456.9 Ų56.972%0.7230%0.3SS*.THydrogen-bonded Turntrans-104.2-18.9-172-61.4175.115.600112.7T297T297-Q301 PolarHBondContact O-N 2.96Å
302G94.3Very high95Very high14 Ų1461.3 Ų61.314%0.14433%0.33CS..  trans83.7150.3-171.400000112.7T297 V298 S306T297-G302 PolarHBondContact O-N 3.03Å; T297-G302 VanDerWaalsContact O-N 3.12Å; V298-G302 WeakPolarHBondContact O-CA 3.47Å; V298-G302 PolarHBondContact O-N 3.24Å; G302-S306 CarbonylContact C-O 3.53Å; G302-S306 WeakPolarHBondContact CA-O 3.42Å
303A93.4Very high95Very high30 Ų3062.2 Ų62.225%0.24833%0.333CS..  trans-157.5178.7166.900000109.6V298 G305 S306V298-A303 HydrophobicContact CG2-CB 3.71Å; A303-G305 PolarHBondContact O-N 3.22Å; A303-S306 PolarHBondContact N-O 3.28Å; A303-S306 WeakPolarHBondContact O-CB 3.35Å; A303-S306 PolarHBondContact O-N 3.19Å
304F91.7Very high95Very high106 Ų10663.8 Ų63.847%0.46534%0.341SS..THydrogen-bonded Turntrans57.433.5175.6-48-67.2000114.3V298 S306 R443 P444V298-F304 HydrophobicContact CG2-CD2 3.77Å; V298-F304 HydrophobicContact CG2-CE2 3.54Å; F304-S306 VanDerWaalsContact C-N 3.32Å; F304-R443 HydrophobicContact CB-CB 4.2Å; F304-R443 HydrophobicContact CB-CG 4.14Å; F304-R443 HydrophobicContact CD1-CB 3.65Å; F304-R443 HydrophobicContact CD1-CG 4.1Å; F304-R443 HydrophobicContact CD2-CB 3.52Å; F304-R443 HydrophobicContact CD2-CG 4.38Å; F304-R443 HydrophobicContact CE1-CB 3.82Å; F304-R443 HydrophobicContact CE2-CB 3.7Å; F304-R443 HydrophobicContact CG-CB 3.49Å; F304-R443 VanDerWaalsContact CG-CB 3.49Å; F304-R443 HydrophobicContact CG-CG 3.94Å; F304-R443 HydrophobicContact CZ-CB 3.85Å; F304-P444 HydrophobicContact CD2-CG 4.41Å; F304-P444 HydrophobicContact CE2-CG 3.82Å
305G91.2Very high94.9Very high92 Ų9262.5 Ų62.595%0.94834%0.337SS*.THydrogen-bonded Turntrans86.4-4.5-177.400000114.7A303A303-G305 PolarHBondContact O-N 3.22Å
306S94.4Very high94.8Very high26 Ų2669.2 Ų69.218%0.18237%0.369CS..  trans-94.7152176-166.20000112.5G302 A303 F304 G308 E440G302-S306 CarbonylContact C-O 3.53Å; G302-S306 WeakPolarHBondContact CA-O 3.42Å; A303-S306 PolarHBondContact N-O 3.28Å; A303-S306 WeakPolarHBondContact O-CB 3.35Å; A303-S306 PolarHBondContact O-N 3.19Å; F304-S306 VanDerWaalsContact C-N 3.32Å; S306-G308 VanDerWaalsContact C-N 3.32Å; S306-G308 PolarHBondContact OG-N 3.09Å; S306-E440 WeakPolarHBondContact CB-OE1 3.48Å; S306-E440 WeakPolarHBondContact OG-CG 3.49Å; S306-E440 PolarHBondContact OG-OE1 3.25Å
307R95.4Very high94.7Very high179 Ų17966.8 Ų66.868%0.67536%0.362SS*.  trans-85.3-3.7175-66.3-18060.7-179.5-4.8113.4
308G94.8Very high94.7Very high17 Ų1764.2 Ų64.218%0.17535%0.346CS..  trans63.9-165.9-171.500000112.1V298 S306V298-G308 VanDerWaalsContact O-CA 3.22Å; V298-G308 WeakPolarHBondContact O-CA 3.49Å; S306-G308 VanDerWaalsContact C-N 3.32Å; S306-G308 PolarHBondContact OG-N 3.09Å
309Y95.2Very high94.6Very high70 Ų7065.9 Ų65.928%0.27535%0.354SS..  trans-90.9-6.9175.7-68.1-67.7000113.6F259 P261 H299 S311F259-Y309 AromaticContact CD1-CE2 3.99Å; F259-Y309 HydrophobicContact CD1-CE2 3.99Å; F259-Y309 AromaticContact CD2-CE2 3.98Å; F259-Y309 HydrophobicContact CD2-CE2 3.98Å; F259-Y309 AromaticContact CE1-CE2 3.76Å; F259-Y309 HydrophobicContact CE1-CE2 3.76Å; F259-Y309 AromaticContact CE1-CZ 3.75Å; F259-Y309 HydrophobicContact CE2-CD2 4.06Å; F259-Y309 AromaticContact CE2-CE2 3.71Å; F259-Y309 HydrophobicContact CE2-CE2 3.71Å; F259-Y309 HydrophobicContact CG-CE2 4.12Å; F259-Y309 HydrophobicContact CZ-CD2 4.07Å; F259-Y309 AromaticContact CZ-CE2 3.61Å; F259-Y309 HydrophobicContact CZ-CE2 3.61Å; F259-Y309 WeakPolarHBondContact O-CE2 3.36Å; F259-Y309 PolarHBondContact O-OH 3.16Å; P261-Y309 HydrophobicContact CB-CD1 4.01Å; P261-Y309 HydrophobicContact CB-CD2 3.82Å; P261-Y309 HydrophobicContact CB-CE1 4.06Å; P261-Y309 HydrophobicContact CB-CE2 3.86Å; P261-Y309 HydrophobicContact CB-CG 3.9Å; P261-Y309 HydrophobicContact CG-CD1 4.21Å; P261-Y309 HydrophobicContact CG-CE1 3.84Å; P261-Y309 HydrophobicContact CG-CE2 4.21Å; H299-Y309 AromaticContact ND1-CD2 3.78Å; H299-Y309 AromaticContact ND1-CE2 3.93Å; H299-Y309 PolarHBondContact O-N 3.49Å; Y309-S311 PolarHBondContact O-N 3Å
310Q93.4Very high94.6Very high131 Ų13168.7 Ų68.761%0.61237%0.366SS*.  trans56.730.4-179.5-49.9-160-46.900113.3S300S300-Q310 VanDerWaalsContact O-CA 3.26Å; S300-Q310 WeakPolarHBondContact O-CA 3.41Å; S300-Q310 PolarHBondContact O-N 3.35Å
311S92.7Very high94.7Very high26 Ų2667.7 Ų67.718%0.18236%0.359CS..SBendtrans-122.7148.8178.764.80000111S300 Y309 W313S300-S311 VanDerWaalsContact CA-O 3.28Å; S300-S311 WeakPolarHBondContact CA-O 3.44Å; S300-S311 VanDerWaalsContact CB-O 3.27Å; S300-S311 WeakPolarHBondContact CB-O 3.42Å; Y309-S311 PolarHBondContact O-N 3Å; S311-W313 PolarHBondContact O-N 3.34Å
312P94.6Very high94.8Very high97 Ų9760.4 Ų60.463%0.6332%0.324SS*.PPolyproline II helixtrans-59.6136.1171.926.6-33.4000110.2
313W96.9Very high94.9Very high19 Ų1961.7 Ų61.77%0.07233%0.328CS..PPolyproline II helixtrans-101.8120173.6-175.294.4000108.4F252 D256 Q262 I292 R296 H299 S311 M315 A318F252-W313 HydrophobicContact CD2-CZ2 4.13Å; D256-W313 HydrophobicContact CB-CZ2 4.24Å; D256-W313 PolarHBondContact OD1-NE1 2.81Å; D256-W313 VanDerWaalsContact OD1-NE1 3.08Å; Q262-W313 VanDerWaalsContact NE2-NE1 3.18Å; I292-W313 HydrophobicContact CG2-CH2 3.98Å; I292-W313 HydrophobicContact CG2-CZ3 4.3Å; R296-W313 HydrophobicContact CB-CD2 4.07Å; R296-W313 HydrophobicContact CB-CE3 3.77Å; R296-W313 HydrophobicContact CB-CG 4.47Å; R296-W313 HydrophobicContact CB-CZ3 4.28Å; R296-W313 HydrophobicContact CG-CB 4.23Å; R296-W313 HydrophobicContact CG-CD2 4.24Å; R296-W313 HydrophobicContact CG-CE3 3.76Å; R296-W313 HydrophobicContact CG-CG 4.46Å; H299-W313 HydrophobicContact CB-CB 4.46Å; H299-W313 HydrophobicContact CB-CG 4.37Å; H299-W313 AromaticContact CG-CD1 3.91Å; S311-W313 PolarHBondContact O-N 3.34Å; W313-M315 HydrophobicContact CZ3-CB 4.04Å; W313-M315 HydrophobicContact CZ3-CE 4.21Å; W313-A318 HydrophobicContact CH2-CB 3.51Å; W313-A318 HydrophobicContact CZ2-CB 3.34Å
314L95.9Very high95.1Very high89 Ų8960.3 Ų60.347%0.46632%0.316SS..PPolyproline II helixtrans-99.1128.4-174.7-58.3177.5000110Q262 E317Q262-L314 PolarHBondContact NE2-O 3.18Å; L314-E317 HydrophobicContact CB-CB 4.36Å; L314-E317 HydrophobicContact CB-CG 4.08Å; L314-E317 HydrophobicContact CD1-CG 4.28Å; L314-E317 PolarHBondContact O-N 3.39Å
315M94.4Very high95.3Very high65 Ų6555.6 Ų55.632%0.3230%0.296SS..Hα-helixtrans-66.1-40.3178.3-177.3156.4-82.100111.7I283 I292 W313 E317 A318 E319I283-M315 HydrophobicContact CD1-CG 4.49Å; I292-M315 HydrophobicContact CG2-CE 3.72Å; W313-M315 HydrophobicContact CZ3-CB 4.04Å; W313-M315 HydrophobicContact CZ3-CE 4.21Å; M315-E317 PolarHBondContact O-N 2.87Å; M315-A318 WeakPolarHBondContact O-CA 3.46Å; M315-A318 WeakPolarHBondContact O-CB 3.36Å; M315-A318 PolarHBondContact O-N 2.94Å; M315-E319 HydrophobicContact CG-CG 4.27Å; M315-E319 WeakPolarHBondContact O-CG 3.35Å; M315-E319 PolarHBondContact O-N 3.26Å; M315-E319 VanDerWaalsContact O-N 3.11Å
316E94.5Very high95.5Very high147 Ų14751.8 Ų51.869%0.68725%0.253SS*.Hα-helixtrans-55.5-38.5178.9-62.8171-17000112.3A318 E319E316-A318 VanDerWaalsContact C-N 3.33Å; E316-A318 PolarHBondContact O-N 3.27Å; E316-E319 PolarHBondContact O-N 2.92Å
317E94.7Very high95.6Very high55 Ų5550.5 Ų50.526%0.25725%0.245SC..Hα-helixtrans-69.7-29.2176.9-70.7-57.1143.600113.1S251 R267 L314 M315 K320S251-E317 WeakPolarHBondContact CB-O 3.37Å; S251-E317 PolarHBondContact OG-O 2.94Å; R267-E317 PolarHBondContact NH2-O 3.33Å; L314-E317 HydrophobicContact CB-CB 4.36Å; L314-E317 HydrophobicContact CB-CG 4.08Å; L314-E317 HydrophobicContact CD1-CG 4.28Å; L314-E317 PolarHBondContact O-N 3.39Å; M315-E317 PolarHBondContact O-N 2.87Å; E317-K320 IonicContact OE1-NZ 2.69Å; E317-K320 PolarHBondContact OE1-NZ 2.94Å; E317-K320 WeakPolarHBondContact OE2-CE 3.38Å; E317-K320 IonicContact OE2-NZ 3.9Å; E317-K320 PolarHBondContact OE2-NZ 2.84Å
318A95.7Very high95.7Very high0 Ų042.1 Ų42.10%021%0.213CC..Hα-helixtrans-79.9-25.6179.400000112.3S251 F252 D256 I283 W313 M315 E316S251-A318 PolarHBondContact N-O 3.49Å; F252-A318 HydrophobicContact CB-CB 4.11Å; F252-A318 HydrophobicContact CD2-CB 4.46Å; F252-A318 PolarHBondContact N-O 3.32Å; D256-A318 WeakPolarHBondContact OD2-CA 3.32Å; D256-A318 VanDerWaalsContact OD2-CB 3.29Å; D256-A318 WeakPolarHBondContact OD2-CB 3.12Å; I283-A318 HydrophobicContact CD1-CB 4.19Å; W313-A318 HydrophobicContact CH2-CB 3.51Å; W313-A318 HydrophobicContact CZ2-CB 3.34Å; M315-A318 WeakPolarHBondContact O-CA 3.46Å; M315-A318 WeakPolarHBondContact O-CB 3.36Å; M315-A318 PolarHBondContact O-N 2.94Å; E316-A318 VanDerWaalsContact C-N 3.33Å; E316-A318 PolarHBondContact O-N 3.27Å
319E96.2Very high95.8Very high37 Ų3741.3 Ų41.317%0.17321%0.205CC..Hα-helixtrans-82.3-18-179.4-66.5-177146.500113.6I280 S281 I283 M315 E316 N321I280-E319 WeakPolarHBondContact CA-O 3.31Å; I280-E319 HydrophobicContact CG2-CB 3.61Å; S281-E319 PolarHBondContact N-O 3.39Å; S281-E319 WeakPolarHBondContact O-CB 3.31Å; S281-E319 WeakPolarHBondContact O-CG 3.3Å; I283-E319 HydrophobicContact CD1-CG 4.07Å; I283-E319 HydrophobicContact CG1-CG 3.9Å; I283-E319 HydrophobicContact CG2-CG 4.15Å; M315-E319 HydrophobicContact CG-CG 4.27Å; M315-E319 WeakPolarHBondContact O-CG 3.35Å; M315-E319 PolarHBondContact O-N 3.26Å; M315-E319 VanDerWaalsContact O-N 3.11Å; E316-E319 PolarHBondContact O-N 2.92Å; E319-N321 PolarHBondContact O-N 3.25Å
320K96.7Very high95.9Very high64 Ų6438.1 Ų38.128%0.27819%0.193SC..BIsolated β-bridgetrans-59.2129.9175.8-71.2177.9-173.6169.90111.5S251 F274 E317S251-K320 WeakPolarHBondContact CB-O 3.45Å; S251-K320 PolarHBondContact N-O 3.18Å; S251-K320 PolarHBondContact OG-O 3.01Å; F274-K320 HydrophobicContact CD1-CB 4.2Å; F274-K320 HydrophobicContact CE1-CB 4.22Å; F274-K320 HydrophobicContact CE1-CD 4.44Å; E317-K320 IonicContact OE1-NZ 2.69Å; E317-K320 PolarHBondContact OE1-NZ 2.94Å; E317-K320 WeakPolarHBondContact OE2-CE 3.38Å; E317-K320 IonicContact OE2-NZ 3.9Å; E317-K320 PolarHBondContact OE2-NZ 2.84Å
321N96.9Very high96.1Very high4 Ų431.9 Ų31.92%0.02116%0.163CC..EExtended strand (participates in β ladder)trans-89.8147.5175.5-72.2-30.7000112.2V248 L275 P278 E279 S281 E319V248-N321 HydrophobicContact CG1-CB 4.06Å; L275-N321 HydrophobicContact CB-CB 4.31Å; L275-N321 HydrophobicContact CD1-CB 3.96Å; L275-N321 HydrophobicContact CG-CB 4.3Å; L275-N321 PolarHBondContact N-O 3.44Å; P278-N321 VanDerWaalsContact O-CB 3.25Å; P278-N321 WeakPolarHBondContact O-CB 3.47Å; P278-N321 PolarHBondContact O-ND2 3.41Å; E279-N321 PolarHBondContact O-N 2.94Å; S281-N321 WeakPolarHBondContact CB-OD1 3.49Å; S281-N321 PolarHBondContact OG-ND2 3.16Å; S281-N321 PolarHBondContact OG-OD1 3.23Å; E319-N321 PolarHBondContact O-N 3.25Å
322L97.3Very high96.3Very high0 Ų030.6 Ų30.60%016%0.155CC..EExtended strand (participates in β ladder)trans-146.2163.5-178.855.986.3000110.6V248 E249 S251 N254 F255 T272 F273 F274 T325V248-L322 WeakPolarHBondContact CA-O 3.43Å; E249-L322 HydrophobicContact CB-CD1 4.4Å; E249-L322 PolarHBondContact N-O 3.37Å; E249-L322 PolarHBondContact O-N 2.84Å; E249-L322 VanDerWaalsContact O-O 3.13Å; S251-L322 WeakPolarHBondContact OG-CD2 3.17Å; N254-L322 HydrophobicContact CB-CD1 3.87Å; N254-L322 HydrophobicContact CB-CD2 4.33Å; F255-L322 HydrophobicContact CD2-CD2 3.94Å; F255-L322 HydrophobicContact CE2-CD2 3.31Å; F255-L322 HydrophobicContact CZ-CD2 4.15Å; T272-L322 HydrophobicContact CG2-CB 3.86Å; T272-L322 HydrophobicContact CG2-CD1 4.43Å; T272-L322 HydrophobicContact CG2-CD2 3.97Å; T272-L322 HydrophobicContact CG2-CG 4.31Å; F273-L322 CarbonylContact O-C 3.2Å; F273-L322 VanDerWaalsContact O-CA 3.28Å; F273-L322 WeakPolarHBondContact O-CA 3.45Å; F273-L322 WeakPolarHBondContact O-CB 3.26Å; F274-L322 HydrophobicContact CD1-CB 4.07Å; F274-L322 HydrophobicContact CE1-CB 4.36Å; F274-L322 HydrophobicContact CE1-CD2 4.01Å; L322-T325 HydrophobicContact CD1-CG2 4.42Å
323L97.5Very high96.4Very high41 Ų4129.9 Ų29.922%0.21514%0.139CC..EExtended strand (participates in β ladder)trans-75.3126.3163.7-62.4-179.6000108.8Y247 V248 F273 L275 T325 F356Y247-L323 WeakPolarHBondContact O-CA 3.22Å; V248-L323 HydrophobicContact CG2-CD2 4.41Å; F273-L323 HydrophobicContact CB-CB 4.18Å; F273-L323 HydrophobicContact CB-CD1 3.94Å; F273-L323 HydrophobicContact CB-CG 4.19Å; F273-L323 HydrophobicContact CD2-CD1 4.35Å; F273-L323 HydrophobicContact CG-CD1 4.39Å; F273-L323 PolarHBondContact O-N 3.05Å; L275-L323 HydrophobicContact CD2-CD2 3.97Å; L275-L323 HydrophobicContact CD2-CG 4.06Å; L323-T325 PolarHBondContact O-N 3.48Å; L323-F356 HydrophobicContact CB-CB 3.68Å; L323-F356 HydrophobicContact CB-CD2 3.71Å; L323-F356 HydrophobicContact CB-CG 3.78Å; L323-F356 HydrophobicContact CD1-CB 4.18Å; L323-F356 HydrophobicContact CD1-CD1 4.08Å; L323-F356 HydrophobicContact CD1-CD2 4.46Å; L323-F356 HydrophobicContact CD1-CG 3.99Å; L323-F356 HydrophobicContact CG-CG 4.45Å
324R96.9Very high96.3Very high2 Ų230.7 Ų30.71%0.00814%0.144CC..  trans-52.6127-173.763.5-178.7161.5-163.1-8112.3T244 N246 Y247 E249 D353 R354 V355 F356T244-R324 VanDerWaalsContact O-CZ 3.25Å; T244-R324 PolarHBondContact O-NH1 3Å; T244-R324 PolarHBondContact O-NH2 3.28Å; N246-R324 VanDerWaalsContact O-CD 3.31Å; N246-R324 WeakPolarHBondContact O-CD 3.3Å; N246-R324 PolarHBondContact O-NE 3.31Å; N246-R324 PolarHBondContact O-NH1 2.98Å; N246-R324 PolarHBondContact OD1-NH1 2.72Å; Y247-R324 VanDerWaalsContact CE1-NH2 3.27Å; Y247-R324 WeakPolarHBondContact O-CG 3.41Å; Y247-R324 PolarHBondContact O-N 3.37Å; E249-R324 HydrophobicContact CB-CB 4.13Å; R324-D353 IonicContact CZ-OD2 3.96Å; R324-D353 IonicContact NH1-OD2 2.66Å; R324-D353 VanDerWaalsContact NH2-CG 3.29Å; R324-D353 IonicContact NH2-OD1 2.76Å; R324-D353 IonicContact NH2-OD2 2.86Å; R324-D353 PolarHBondContact NH2-OD2 3.01Å; R324-R354 PolarHBondContact NE-O 3.17Å; R324-V355 WeakPolarHBondContact O-CA 3.4Å; R324-F356 HydrophobicContact CG-CD2 4.35Å; R324-F356 PolarHBondContact O-N 2.91Å
325T96.2Very high96.4Very high6 Ų626.4 Ų26.44%0.03712%0.122CC..SBendtrans-85.8-20.5-17559.80000113.9N254 F255 T272 L322 L323 F356 R357N254-T325 PolarHBondContact ND2-OG1 3.24Å; N254-T325 PolarHBondContact OD1-N 3.12Å; N254-T325 VanDerWaalsContact OD1-N 3.13Å; N254-T325 PolarHBondContact OD1-OG1 2.91Å; F255-T325 HydrophobicContact CZ-CG2 4.1Å; T272-T325 HydrophobicContact CG2-CG2 3.7Å; T272-T325 WeakPolarHBondContact OG1-CG2 2.95Å; L322-T325 HydrophobicContact CD1-CG2 4.42Å; L323-T325 PolarHBondContact O-N 3.48Å; T325-F356 WeakPolarHBondContact CA-O 3.36Å; T325-R357 PolarHBondContact O-NE 3.03Å; T325-R357 VanDerWaalsContact O-NE 3.1Å
326H95.7Very high96.4Very high12 Ų1224 Ų246%0.05611%0.11CC..  trans-162.7152.7-179.341.665.5000110.2N254 T328N254-H326 PolarHBondContact O-CE1 3.02Å; H326-T328 PolarHBondContact O-N 3.18Å
327T97.2Very high96.4Very high0 Ų019.3 Ų19.30%010%0.096CC..THydrogen-bonded Turntrans-71.7-6.6179.7460000113.6A329 V330 S331 D353 V355 Q371 E373T327-A329 PolarHBondContact O-N 3.37Å; T327-V330 WeakPolarHBondContact O-CA 3.3Å; T327-V330 VanDerWaalsContact O-CB 3.27Å; T327-V330 WeakPolarHBondContact O-CB 3.3Å; T327-V330 PolarHBondContact O-N 3Å; T327-S331 PolarHBondContact O-N 2.95Å; T327-D353 HydrophobicContact CG2-CB 4.21Å; T327-V355 HydrophobicContact CG2-CG1 3.85Å; T327-Q371 HydrophobicContact CG2-CB 4.21Å; T327-Q371 WeakPolarHBondContact OG1-CG 3.38Å; T327-Q371 PolarHBondContact OG1-NE2 3.03Å; T327-Q371 VanDerWaalsContact OG1-NE2 3.09Å; T327-E373 WeakPolarHBondContact OG1-CB 3.4Å; T327-E373 PolarHBondContact OG1-OE2 2.65Å
328T97.1Very high96.4Very high3 Ų316.9 Ų16.92%0.0189%0.085CC..Hα-helixtrans-60.5-25176.6-37.60000113.2L258 H326 V330 S331 A332 E373 Y411 F437L258-T328 HydrophobicContact CD1-CG2 3.89Å; L258-T328 HydrophobicContact CD2-CG2 3.85Å; H326-T328 PolarHBondContact O-N 3.18Å; T328-V330 VanDerWaalsContact C-N 3.29Å; T328-V330 PolarHBondContact O-N 3.31Å; T328-S331 WeakPolarHBondContact O-CB 3.49Å; T328-S331 PolarHBondContact O-N 3.17Å; T328-A332 PolarHBondContact O-N 3.09Å; T328-E373 VanDerWaalsContact CA-OE1 3.24Å; T328-E373 WeakPolarHBondContact CA-OE1 3.22Å; T328-E373 WeakPolarHBondContact CA-OE2 3.39Å; T328-E373 WeakPolarHBondContact CB-OE2 3.47Å; T328-E373 PolarHBondContact N-OE2 2.83Å; T328-E373 PolarHBondContact OG1-OE2 3.41Å; T328-Y411 HydrophobicContact CG2-CD2 4.38Å; T328-Y411 HydrophobicContact CG2-CE2 4.19Å; T328-F437 HydrophobicContact CG2-CE1 3.89Å; T328-F437 HydrophobicContact CG2-CZ 3.96Å
329A96.7Very high96.3Very high0 Ų018 Ų180%09%0.093CC..Hα-helixtrans-60.7-39.6170.800000112E249 N254 T327 S331 A332 R333E249-A329 HydrophobicContact CG-CB 3.94Å; N254-A329 HydrophobicContact CB-CB 4.36Å; T327-A329 PolarHBondContact O-N 3.37Å; A329-S331 VanDerWaalsContact C-N 3.34Å; A329-A332 WeakPolarHBondContact O-CB 3.35Å; A329-A332 PolarHBondContact O-N 3.33Å; A329-R333 WeakPolarHBondContact O-CG 3.46Å; A329-R333 PolarHBondContact O-N 3.04Å; A329-R333 VanDerWaalsContact O-N 3.09Å
330V97.2Very high96.1Very high2 Ų222 Ų221%0.01211%0.11CC..Hα-helixtrans-67-39.8175.8-177.70000110.1M242 P243 T244 T327 T328 A332 R333 M334M242-V330 HydrophobicContact CB-CG1 3.97Å; M242-V330 HydrophobicContact SD-CG1 4.43Å; P243-V330 VanDerWaalsContact O-CG1 3.26Å; P243-V330 WeakPolarHBondContact O-CG1 3.14Å; T244-V330 HydrophobicContact CG2-CG1 4.11Å; T244-V330 HydrophobicContact CG2-CG2 4.17Å; T327-V330 WeakPolarHBondContact O-CA 3.3Å; T327-V330 VanDerWaalsContact O-CB 3.27Å; T327-V330 WeakPolarHBondContact O-CB 3.3Å; T327-V330 PolarHBondContact O-N 3Å; T328-V330 VanDerWaalsContact C-N 3.29Å; T328-V330 PolarHBondContact O-N 3.31Å; V330-A332 VanDerWaalsContact C-N 3.34Å; V330-A332 PolarHBondContact O-N 2.95Å; V330-R333 WeakPolarHBondContact O-CB 3.37Å; V330-R333 PolarHBondContact O-N 3.4Å; V330-M334 HydrophobicContact CG1-CG 4.39Å; V330-M334 WeakPolarHBondContact O-CG 3.39Å; V330-M334 PolarHBondContact O-N 3.1Å
331S97.4Very high95.9Very high0 Ų024.1 Ų24.10%012%0.119CC..Hα-helixtrans-59.7-42.1174-61.20000112.3T327 T328 A329 M334 L335 E373 L375T327-S331 PolarHBondContact O-N 2.95Å; T328-S331 WeakPolarHBondContact O-CB 3.49Å; T328-S331 PolarHBondContact O-N 3.17Å; A329-S331 VanDerWaalsContact C-N 3.34Å; S331-M334 PolarHBondContact O-N 3.36Å; S331-L335 WeakPolarHBondContact O-CB 3.49Å; S331-L335 VanDerWaalsContact O-CG 3.28Å; S331-L335 WeakPolarHBondContact O-CG 3.22Å; S331-L335 PolarHBondContact O-N 2.64Å; S331-E373 VanDerWaalsContact CB-OE1 3.28Å; S331-E373 WeakPolarHBondContact CB-OE1 3.36Å; S331-E373 PolarHBondContact OG-OE1 3.16Å; S331-L375 VanDerWaalsContact CB-CD2 3.48Å; S331-L375 WeakPolarHBondContact OG-CD2 3.36Å
332A97Very high95.5Very high0 Ų031.5 Ų31.50%016%0.159CC..Hα-helixtrans-61.4-45.4174.400000112.3W253 S257 L258 T328 A329 V330 M334 L335 H336 M441 M445W253-A332 HydrophobicContact CE3-CB 4.1Å; W253-A332 HydrophobicContact CZ3-CB 4.29Å; S257-A332 WeakPolarHBondContact OG-CB 3.2Å; L258-A332 HydrophobicContact CD2-CB 3.69Å; T328-A332 PolarHBondContact O-N 3.09Å; A329-A332 WeakPolarHBondContact O-CB 3.35Å; A329-A332 PolarHBondContact O-N 3.33Å; V330-A332 VanDerWaalsContact C-N 3.34Å; V330-A332 PolarHBondContact O-N 2.95Å; A332-M334 VanDerWaalsContact C-N 3.32Å; A332-M334 PolarHBondContact O-N 3.47Å; A332-L335 PolarHBondContact O-N 3.15Å; A332-H336 WeakPolarHBondContact O-CB 3.34Å; A332-H336 PolarHBondContact O-N 2.98Å; A332-M441 HydrophobicContact CB-CE 4.32Å; A332-M445 HydrophobicContact CB-CE 4.11Å
333R96Very high95.1Very high81 Ų8136.3 Ų36.331%0.30619%0.19SC..Hα-helixtrans-59-43.6175.4-71.9175.7168.4-817.3111.6E249 W253 A329 V330 H336 A337E249-R333 IonicContact OE1-CZ 3.15Å; E249-R333 VanDerWaalsContact OE1-CZ 3.29Å; E249-R333 IonicContact OE1-NE 3.57Å; E249-R333 PolarHBondContact OE1-NE 3.09Å; E249-R333 VanDerWaalsContact OE1-NE 3.15Å; E249-R333 IonicContact OE1-NH2 4Å; E249-R333 PolarHBondContact OE1-NH2 3.18Å; E249-R333 IonicContact OE2-CZ 2.83Å; E249-R333 IonicContact OE2-NE 3.64Å; E249-R333 PolarHBondContact OE2-NE 3.08Å; E249-R333 IonicContact OE2-NH2 3.91Å; W253-R333 HydrophobicContact CD2-CG 3.55Å; W253-R333 HydrophobicContact CE3-CB 4.4Å; W253-R333 HydrophobicContact CE3-CG 3.51Å; W253-R333 HydrophobicContact CG-CG 4.04Å; W253-R333 HydrophobicContact CH2-CG 4.33Å; W253-R333 HydrophobicContact CZ2-CG 4.36Å; W253-R333 HydrophobicContact CZ3-CB 4.41Å; W253-R333 HydrophobicContact CZ3-CG 3.92Å; A329-R333 WeakPolarHBondContact O-CG 3.46Å; A329-R333 PolarHBondContact O-N 3.04Å; A329-R333 VanDerWaalsContact O-N 3.09Å; V330-R333 WeakPolarHBondContact O-CB 3.37Å; V330-R333 PolarHBondContact O-N 3.4Å; R333-H336 PolarHBondContact O-N 3.5Å; R333-A337 WeakPolarHBondContact O-CB 3.38Å; R333-A337 PolarHBondContact O-N 3.1Å
334M96.3Very high94.8Very high36 Ų3636.2 Ų36.218%0.17719%0.188CC..Hα-helixtrans-69.5-39.2179.8-71.7-59.6-62.800112.8M242 P243 V330 S331 A332 A337 L338 Y349M242-M334 HydrophobicContact CB-CG 4.01Å; M242-M334 HydrophobicContact CG-CB 4.49Å; M242-M334 HydrophobicContact CG-CE 4.44Å; M242-M334 HydrophobicContact CG-CG 3.77Å; M242-M334 HydrophobicContact SD-CB 3.84Å; M242-M334 HydrophobicContact SD-CG 3.57Å; M242-M334 VanDerWaalsContact SD-CG 3.57Å; P243-M334 HydrophobicContact CG-SD 4.25Å; V330-M334 HydrophobicContact CG1-CG 4.39Å; V330-M334 WeakPolarHBondContact O-CG 3.39Å; V330-M334 PolarHBondContact O-N 3.1Å; S331-M334 PolarHBondContact O-N 3.36Å; A332-M334 VanDerWaalsContact C-N 3.32Å; A332-M334 PolarHBondContact O-N 3.47Å; M334-A337 PolarHBondContact O-N 2.87Å; M334-L338 WeakPolarHBondContact O-CB 3.45Å; M334-L338 PolarHBondContact O-N 2.69Å; M334-Y349 HydrophobicContact CB-CD2 4.45Å; M334-Y349 HydrophobicContact CE-CD1 4.3Å; M334-Y349 HydrophobicContact CE-CE1 3.91Å; M334-Y349 HydrophobicContact CE-CE2 4.36Å
335L96.8Very high94.7Very high0 Ų040.1 Ų40.10%021%0.212CC..Hα-helixtrans-66.9-39.8174.7-73.6171.2000112.1S331 A332 L338 S339 L375 A377 F437 M441 L442 M445 L447 V453S331-L335 WeakPolarHBondContact O-CB 3.49Å; S331-L335 VanDerWaalsContact O-CG 3.28Å; S331-L335 WeakPolarHBondContact O-CG 3.22Å; S331-L335 PolarHBondContact O-N 2.64Å; A332-L335 PolarHBondContact O-N 3.15Å; L335-L338 HydrophobicContact CD2-CD2 4.44Å; L335-L338 WeakPolarHBondContact O-CB 3.38Å; L335-L338 PolarHBondContact O-N 2.93Å; L335-S339 PolarHBondContact O-N 3.49Å; L335-L375 HydrophobicContact CD2-CD1 4.33Å; L335-A377 HydrophobicContact CD2-CB 4.16Å; L335-F437 HydrophobicContact CD1-CD2 3.83Å; L335-F437 HydrophobicContact CD1-CE2 3.83Å; L335-M441 HydrophobicContact CD1-CE 3.95Å; L335-L442 HydrophobicContact CD1-CD2 3.94Å; L335-M445 HydrophobicContact CB-SD 3.83Å; L335-L447 HydrophobicContact CB-CD1 4.38Å; L335-V453 HydrophobicContact CD1-CG1 4.29Å; L335-V453 HydrophobicContact CD2-CG1 4.23Å; L335-V453 HydrophobicContact CD2-CG2 4.03Å
336H95.3Very high94.6Very high15 Ų1542.7 Ų42.77%0.06923%0.229CC..Hα-helixtrans-66.7-35.6172.6179.4-102.3000112.4W253 Y291 A332 R333 L338 S339 M445W253-H336 HydrophobicContact CH2-CB 3.8Å; W253-H336 AromaticContact CH2-CG 3.75Å; W253-H336 AromaticContact CH2-ND1 3.68Å; W253-H336 HydrophobicContact CZ3-CB 4.06Å; Y291-H336 AromaticContact CD1-CD2 3.52Å; Y291-H336 AromaticContact CD1-NE2 3.43Å; Y291-H336 WeakPolarHBondContact CD1-NE2 3.5Å; Y291-H336 AromaticContact CE1-CD2 3.69Å; Y291-H336 AromaticContact CG-CD2 3.87Å; Y291-H336 AromaticContact CG-NE2 3.69Å; A332-H336 WeakPolarHBondContact O-CB 3.34Å; A332-H336 PolarHBondContact O-N 2.98Å; R333-H336 PolarHBondContact O-N 3.5Å; H336-L338 VanDerWaalsContact C-N 3.33Å; H336-S339 PolarHBondContact O-OG 3.12Å; H336-M445 HydrophobicContact CB-CG 4.36Å; H336-M445 HydrophobicContact CB-SD 4.36Å
337A94.5Very high94.7Very high48 Ų4842.8 Ų42.840%0.39723%0.232SC..Hα-helixtrans-68.4-34.7171.400000112R333 M334 K340R333-A337 WeakPolarHBondContact O-CB 3.38Å; R333-A337 PolarHBondContact O-N 3.1Å; M334-A337 PolarHBondContact O-N 2.87Å; A337-K340 PolarHBondContact O-N 3.35Å
338L94.7Very high94.8Very high3 Ų347.3 Ų47.32%0.01625%0.251CS..Hα-helixtrans-67.4-36.3177.8-17565.5000112.1M334 L335 H336 K340 K341 F344 A347 Y349 A377M334-L338 WeakPolarHBondContact O-CB 3.45Å; M334-L338 PolarHBondContact O-N 2.69Å; L335-L338 HydrophobicContact CD2-CD2 4.44Å; L335-L338 WeakPolarHBondContact O-CB 3.38Å; L335-L338 PolarHBondContact O-N 2.93Å; H336-L338 VanDerWaalsContact C-N 3.33Å; L338-K340 PolarHBondContact O-N 3.2Å; L338-K341 HydrophobicContact CD1-CD 4.09Å; L338-K341 WeakPolarHBondContact O-CB 3.2Å; L338-K341 PolarHBondContact O-N 3.25Å; L338-K341 VanDerWaalsContact O-N 3.08Å; L338-F344 HydrophobicContact CD1-CE2 4.46Å; L338-F344 HydrophobicContact CD2-CE2 3.61Å; L338-F344 HydrophobicContact CD2-CZ 3.96Å; L338-F344 HydrophobicContact CG-CD2 4.29Å; L338-F344 HydrophobicContact CG-CE2 3.7Å; L338-F344 HydrophobicContact CG-CZ 4.46Å; L338-A347 HydrophobicContact CD1-CB 4.31Å; L338-A347 HydrophobicContact CD2-CB 3.99Å; L338-Y349 HydrophobicContact CD2-CE2 4.35Å; L338-A377 HydrophobicContact CD2-CB 4.12Å
339S93.7Very high94.8Very high25 Ų2548.3 Ų48.318%0.17526%0.255CS..Hα-helixtrans-62.2-22.4178.772.60000113.7L335 H336 K341 M445L335-S339 PolarHBondContact O-N 3.49Å; H336-S339 PolarHBondContact O-OG 3.12Å; S339-K341 VanDerWaalsContact C-N 3.33Å; S339-M445 VanDerWaalsContact CB-O 3.22Å; S339-M445 WeakPolarHBondContact CB-O 3.43Å; S339-M445 PolarHBondContact OG-O 3.07Å
340K92Very high94.9Very high119 Ų11948.4 Ų48.452%0.51726%0.255SS..THydrogen-bonded Turntrans-80.1-11.3178-61.2178.4175.6-168.30113.7E288 A337 L338E288-K340 WeakPolarHBondContact OE1-CE 2.96Å; E288-K340 IonicContact OE1-NZ 2.77Å; E288-K340 PolarHBondContact OE1-NZ 3.08Å; A337-K340 PolarHBondContact O-N 3.35Å; L338-K340 PolarHBondContact O-N 3.2Å
341K91.7Very high94.9Very high110 Ų11048.3 Ų48.348%0.47826%0.255SS..  trans-80129.4179.2-63.9-168.4-175.7175.10110.6L338 S339 P343 F344L338-K341 HydrophobicContact CD1-CD 4.09Å; L338-K341 WeakPolarHBondContact O-CB 3.2Å; L338-K341 PolarHBondContact O-N 3.25Å; L338-K341 VanDerWaalsContact O-N 3.08Å; S339-K341 VanDerWaalsContact C-N 3.33Å; K341-P343 CarbonylContact C-O 3.56Å; K341-P343 CarbonylContact O-C 3.47Å; K341-F344 PolarHBondContact O-N 2.83Å
342N88.2Confident94.9Very high159 Ų15948.4 Ų48.485%0.8526%0.255SS*.SBendtrans-128.9117.6175.1-169.87.9000109.9
343P89.7Confident94.9Very high101 Ų10149.3 Ų49.366%0.65626%0.26SS*.SBendcis-67.7156.3-1.330.4-35.6000112.5K341K341-P343 CarbonylContact C-O 3.56Å; K341-P343 CarbonylContact O-C 3.47Å
344F91.5Very high94.8Very high38 Ų3848.7 Ų48.717%0.16726%0.258CS..  trans-65134.6171174.7-89.6000109.9L338 K341 P346 F379 L447 P448 L451L338-F344 HydrophobicContact CD1-CE2 4.46Å; L338-F344 HydrophobicContact CD2-CE2 3.61Å; L338-F344 HydrophobicContact CD2-CZ 3.96Å; L338-F344 HydrophobicContact CG-CD2 4.29Å; L338-F344 HydrophobicContact CG-CE2 3.7Å; L338-F344 HydrophobicContact CG-CZ 4.46Å; K341-F344 PolarHBondContact O-N 2.83Å; F344-P346 HydrophobicContact CE1-CG 4.31Å; F344-F379 AromaticContact CD1-CE2 3.74Å; F344-F379 HydrophobicContact CD1-CE2 3.74Å; F344-F379 AromaticContact CD1-CZ 3.8Å; F344-F379 HydrophobicContact CD1-CZ 3.8Å; F344-F379 AromaticContact CE1-CE2 3.87Å; F344-F379 HydrophobicContact CE1-CE2 3.87Å; F344-F379 HydrophobicContact CE1-CZ 4.1Å; F344-L447 HydrophobicContact CD2-CD2 4.41Å; F344-L447 HydrophobicContact CE2-CD2 3.88Å; F344-P448 HydrophobicContact CB-CG 4.09Å; F344-P448 HydrophobicContact CD1-CG 4.07Å; F344-P448 HydrophobicContact CD2-CG 3.9Å; F344-P448 HydrophobicContact CE2-CG 4.38Å; F344-P448 HydrophobicContact CG-CG 3.73Å; F344-L451 HydrophobicContact CE1-CD1 3.47Å; F344-L451 VanDerWaalsContact CE1-CD1 3.47Å; F344-L451 HydrophobicContact CE1-CD2 4.43Å; F344-L451 HydrophobicContact CE2-CD1 4.28Å; F344-L451 HydrophobicContact CE2-CD2 3.74Å; F344-L451 HydrophobicContact CZ-CD1 3.33Å; F344-L451 HydrophobicContact CZ-CD2 3.58Å; F344-L451 HydrophobicContact CZ-CG 4.1Å
345T93.7Very high94.8Very high84 Ų8447 Ų4752%0.51525%0.249SC..  trans-118.8127.2175.5-49.20000109.3
346P95.4Very high94.8Very high61 Ų6148 Ų4840%0.39625%0.254SS..  trans-52.4143.9171-27.936000112.1F344 A377 D378F344-P346 HydrophobicContact CE1-CG 4.31Å; P346-A377 CarbonylContact C-O 3.53Å; P346-A377 VanDerWaalsContact CA-O 3.26Å; P346-A377 WeakPolarHBondContact CA-O 3.41Å; P346-A377 WeakPolarHBondContact CB-O 3.48Å; P346-D378 HydrophobicContact CB-CB 4.2Å; P346-D378 VanDerWaalsContact CG-OD1 3.31Å; P346-D378 WeakPolarHBondContact CG-OD1 3.49Å
347A97Very high94.7Very high14 Ų1450.9 Ų50.912%0.11626%0.264CS..EExtended strand (participates in β ladder)trans-140.5148.2-172.700000112.4L338 Y349 V376 A377L338-A347 HydrophobicContact CD1-CB 4.31Å; L338-A347 HydrophobicContact CD2-CB 3.99Å; A347-Y349 HydrophobicContact CB-CD2 4.11Å; A347-Y349 HydrophobicContact CB-CE1 4.36Å; A347-Y349 HydrophobicContact CB-CE2 3.5Å; A347-V376 WeakPolarHBondContact O-CA 3.4Å; A347-A377 PolarHBondContact N-O 3.11Å; A347-A377 PolarHBondContact O-N 2.75Å
348K98.1Very high94.7Very high94 Ų9451.4 Ų51.441%0.40926%0.26SS..EExtended strand (participates in β ladder)trans-121.7116.9172.7-65.7177.2-177.1173.80107.4F239 S240 L375 V376F239-K348 HydrophobicContact CB-CB 4.37Å; F239-K348 HydrophobicContact CD1-CB 3.73Å; F239-K348 HydrophobicContact CD2-CB 4.2Å; F239-K348 HydrophobicContact CD2-CD 4.29Å; F239-K348 HydrophobicContact CE1-CB 3.83Å; F239-K348 HydrophobicContact CE1-CG 4.37Å; F239-K348 HydrophobicContact CE2-CB 4.3Å; F239-K348 HydrophobicContact CE2-CD 3.98Å; F239-K348 HydrophobicContact CE2-CG 4.44Å; F239-K348 HydrophobicContact CG-CB 3.87Å; F239-K348 HydrophobicContact CZ-CB 4.07Å; F239-K348 HydrophobicContact CZ-CD 4.18Å; F239-K348 HydrophobicContact CZ-CG 4.2Å; S240-K348 PolarHBondContact N-O 3.01Å; K348-L375 WeakPolarHBondContact CA-O 3.5Å; K348-V376 HydrophobicContact CG-CB 4.48Å; K348-V376 HydrophobicContact CG-CG1 3.97Å; K348-V376 HydrophobicContact CG-CG2 4.09Å
349Y98.3Very high94.2Very high24 Ų2454.1 Ų54.19%0.09427%0.273CS..EExtended strand (participates in β ladder)trans-122.8145.2-176.6-66.9-53.8000111.6F239 S240 M242 M334 L338 A347 G374 L375F239-Y349 WeakPolarHBondContact CD1-O 3.42Å; S240-Y349 CarbonylContact O-C 3.58Å; S240-Y349 WeakPolarHBondContact O-CA 3.13Å; M242-Y349 HydrophobicContact CG-CD1 4.17Å; M242-Y349 HydrophobicContact CG-CG 4Å; M242-Y349 VanDerWaalsContact SD-CB 3.56Å; M242-Y349 HydrophobicContact SD-CG 4.19Å; M334-Y349 HydrophobicContact CB-CD2 4.45Å; M334-Y349 HydrophobicContact CE-CD1 4.3Å; M334-Y349 HydrophobicContact CE-CE1 3.91Å; M334-Y349 HydrophobicContact CE-CE2 4.36Å; L338-Y349 HydrophobicContact CD2-CE2 4.35Å; A347-Y349 HydrophobicContact CB-CD2 4.11Å; A347-Y349 HydrophobicContact CB-CE1 4.36Å; A347-Y349 HydrophobicContact CB-CE2 3.5Å; Y349-G374 CarbonylContact O-C 3.54Å; Y349-G374 WeakPolarHBondContact O-CA 3.38Å; Y349-L375 HydrophobicContact CD2-CD1 3.8Å; Y349-L375 HydrophobicContact CD2-CG 4.5Å; Y349-L375 HydrophobicContact CG-CD1 4.37Å; Y349-L375 PolarHBondContact N-O 3.46Å; Y349-L375 PolarHBondContact O-N 2.95Å
350Y98.3Very high93.7Very high2 Ų259.9 Ų59.91%0.00830%0.302CS..EExtended strand (participates in β ladder)trans-138.5157.5171.382-80.6000111.7C231 L234 C235 F239 S240 E241 M242 I352 E373C231-Y350 HydrophobicContact CB-CE2 4.36Å; C231-Y350 PolarHBondContact SG-OH 2.93Å; L234-Y350 HydrophobicContact CB-CD1 3.98Å; L234-Y350 HydrophobicContact CB-CD2 4.06Å; L234-Y350 HydrophobicContact CB-CE1 4.23Å; L234-Y350 HydrophobicContact CB-CE2 4.34Å; L234-Y350 HydrophobicContact CB-CG 3.85Å; L234-Y350 HydrophobicContact CD1-CD2 3.45Å; L234-Y350 VanDerWaalsContact CD1-CD2 3.45Å; L234-Y350 HydrophobicContact CD1-CE2 4.15Å; L234-Y350 HydrophobicContact CD1-CG 3.77Å; L234-Y350 HydrophobicContact CG-CD2 4.34Å; L234-Y350 HydrophobicContact CG-CG 4.3Å; C235-Y350 PolarHBondContact SG-OH 3.27Å; F239-Y350 HydrophobicContact CB-CD1 3.59Å; F239-Y350 HydrophobicContact CB-CE1 4.39Å; F239-Y350 HydrophobicContact CB-CG 4.29Å; S240-Y350 VanDerWaalsContact C-CD1 3.47Å; S240-Y350 WeakPolarHBondContact O-CD1 3.42Å; S240-Y350 PolarHBondContact O-N 3.21Å; E241-Y350 CarbonylContact C-O 3.59Å; E241-Y350 VanDerWaalsContact CA-CE1 3.5Å; E241-Y350 WeakPolarHBondContact CA-O 3.43Å; E241-Y350 HydrophobicContact CB-CD1 4.36Å; E241-Y350 HydrophobicContact CB-CE1 3.67Å; E241-Y350 HydrophobicContact CB-CE2 4.31Å; E241-Y350 HydrophobicContact CG-CE1 4.3Å; E241-Y350 HydrophobicContact CG-CE2 4.04Å; E241-Y350 VanDerWaalsContact N-CE1 3.33Å; M242-Y350 PolarHBondContact N-O 2.69Å; Y350-I352 HydrophobicContact CD2-CG1 4.22Å; Y350-I352 HydrophobicContact CE2-CD1 4.43Å; Y350-I352 HydrophobicContact CE2-CG1 4.35Å; Y350-E373 CarbonylContact C-O 3.5Å; Y350-E373 WeakPolarHBondContact CA-O 3.28Å; Y350-E373 WeakPolarHBondContact CB-O 3.25Å
351S97.5Very high93.1Very high0 Ų059.8 Ų59.80%031%0.306CS..EExtended strand (participates in β ladder)trans-143.4151.6170.157.70000110.6M242 T244 V372 E373M242-S351 WeakPolarHBondContact CE-OG 3.22Å; T244-S351 VanDerWaalsContact CG2-CB 3.5Å; S351-V372 WeakPolarHBondContact O-CA 3.34Å; S351-E373 PolarHBondContact N-O 3.23Å; S351-E373 PolarHBondContact O-N 3.49Å
352I96.8Very high92.6Very high2 Ų257.5 Ų57.51%0.0130%0.299CS..EExtended strand (participates in β ladder)trans-135.3102.5170.8-48.6-179.7000107.7R227 F230 C231 Y350 Q371 V372 L460R227-I352 HydrophobicContact CG-CB 4.37Å; R227-I352 HydrophobicContact CG-CD1 4.2Å; R227-I352 HydrophobicContact CG-CG2 3.92Å; F230-I352 HydrophobicContact CB-CD1 3.73Å; C231-I352 HydrophobicContact CB-CD1 4.37Å; Y350-I352 HydrophobicContact CD2-CG1 4.22Å; Y350-I352 HydrophobicContact CE2-CD1 4.43Å; Y350-I352 HydrophobicContact CE2-CG1 4.35Å; I352-Q371 WeakPolarHBondContact CA-O 3.42Å; I352-V372 HydrophobicContact CB-CG2 4.37Å; I352-V372 HydrophobicContact CD1-CG1 4.46Å; I352-V372 HydrophobicContact CD1-CG2 4.18Å; I352-V372 HydrophobicContact CG1-CB 4.36Å; I352-V372 HydrophobicContact CG1-CG1 4.1Å; I352-V372 HydrophobicContact CG1-CG2 3.95Å; I352-V372 HydrophobicContact CG2-CG2 3.76Å; I352-L460 HydrophobicContact CG2-CD2 4.28Å
353D96.9Very high91.9Very high19 Ų1952 Ų5210%0.10228%0.276CS..EExtended strand (participates in β ladder)trans-150.1165.4-178.4-150.5-9.6000113.1T244 R324 T327 H370 Q371T244-D353 WeakPolarHBondContact CB-OD2 3.34Å; T244-D353 HydrophobicContact CG2-CB 3.97Å; T244-D353 VanDerWaalsContact OG1-CG 3.31Å; T244-D353 PolarHBondContact OG1-OD2 2.84Å; R324-D353 IonicContact CZ-OD2 3.96Å; R324-D353 IonicContact NH1-OD2 2.66Å; R324-D353 VanDerWaalsContact NH2-CG 3.29Å; R324-D353 IonicContact NH2-OD1 2.76Å; R324-D353 IonicContact NH2-OD2 2.86Å; R324-D353 PolarHBondContact NH2-OD2 3.01Å; T327-D353 HydrophobicContact CG2-CB 4.21Å; D353-H370 CarbonylContact O-C 3.41Å; D353-H370 WeakPolarHBondContact O-CA 3.3Å; D353-Q371 PolarHBondContact N-O 3.42Å; D353-Q371 VanDerWaalsContact N-O 3.13Å; D353-Q371 PolarHBondContact O-N 3.05Å
354R95.4Very high91.2Very high68 Ų6851.3 Ų51.326%0.25727%0.27SS..EExtended strand (participates in β ladder)trans-73.2136.6179.8-168.9-178.3-63.1-162.82.8111.7Y247 R324 F356 E368 F369Y247-R354 HydrophobicContact CE1-CB 4.16Å; R324-R354 PolarHBondContact NE-O 3.17Å; R354-F356 HydrophobicContact CG-CE1 4.3Å; R354-F356 HydrophobicContact CG-CE2 4.5Å; R354-F356 HydrophobicContact CG-CZ 4.08Å; R354-E368 WeakPolarHBondContact CD-OE2 3.49Å; R354-E368 HydrophobicContact CG-CB 4.21Å; R354-E368 IonicContact CZ-OE1 3.76Å; R354-E368 IonicContact CZ-OE2 2.98Å; R354-E368 IonicContact NE-OE2 2.78Å; R354-E368 IonicContact NH1-OE1 2.85Å; R354-E368 PolarHBondContact NH1-OE1 3.27Å; R354-E368 VanDerWaalsContact NH1-OE1 3.08Å; R354-E368 IonicContact NH1-OE2 3.62Å; R354-E368 PolarHBondContact NH1-OE2 3Å; R354-F369 CarbonylContact C-O 3.59Å; R354-F369 VanDerWaalsContact CA-O 3.31Å; R354-F369 WeakPolarHBondContact CA-O 3.47Å
355V96.4Very high90.7Very high0 Ų052.8 Ų52.80%028%0.277CS..EExtended strand (participates in β ladder)trans-128.1158.5176.1-580000109.3R324 T327 E368 F369 Q371R324-V355 WeakPolarHBondContact O-CA 3.4Å; T327-V355 HydrophobicContact CG2-CG1 3.85Å; V355-E368 WeakPolarHBondContact O-CA 3.33Å; V355-F369 HydrophobicContact CG2-CD1 4.23Å; V355-F369 HydrophobicContact CG2-CD2 3.85Å; V355-F369 HydrophobicContact CG2-CE1 3.88Å; V355-F369 HydrophobicContact CG2-CE2 3.45Å; V355-F369 VanDerWaalsContact CG2-CE2 3.45Å; V355-F369 HydrophobicContact CG2-CG 4.22Å; V355-F369 HydrophobicContact CG2-CZ 3.47Å; V355-F369 VanDerWaalsContact CG2-CZ 3.47Å; V355-F369 WeakPolarHBondContact CG2-O 3.36Å; V355-F369 PolarHBondContact N-O 3.02Å; V355-F369 PolarHBondContact O-N 3.11Å; V355-F369 VanDerWaalsContact O-N 3.13Å; V355-Q371 HydrophobicContact CG1-CB 3.97Å; V355-Q371 HydrophobicContact CG2-CB 4.09Å
356F96.4Very high90.3Very high23 Ų2349.5 Ų49.510%0.10126%0.257CS..EExtended strand (participates in β ladder)trans-128.3129.6-171.5-52.4-92.7000110.1Y247 F273 L323 R324 T325 R354 A367 E368Y247-F356 AromaticContact CD1-CE2 3.71Å; Y247-F356 HydrophobicContact CD1-CE2 3.71Å; Y247-F356 AromaticContact CD1-CZ 3.95Å; Y247-F356 HydrophobicContact CD1-CZ 3.95Å; Y247-F356 HydrophobicContact CE1-CZ 4.46Å; Y247-F356 AromaticContact CG-CE2 3.94Å; Y247-F356 HydrophobicContact CG-CE2 3.94Å; Y247-F356 HydrophobicContact CG-CZ 4.05Å; F273-F356 HydrophobicContact CD2-CB 3.95Å; F273-F356 HydrophobicContact CE2-CB 4.45Å; L323-F356 HydrophobicContact CB-CB 3.68Å; L323-F356 HydrophobicContact CB-CD2 3.71Å; L323-F356 HydrophobicContact CB-CG 3.78Å; L323-F356 HydrophobicContact CD1-CB 4.18Å; L323-F356 HydrophobicContact CD1-CD1 4.08Å; L323-F356 HydrophobicContact CD1-CD2 4.46Å; L323-F356 HydrophobicContact CD1-CG 3.99Å; L323-F356 HydrophobicContact CG-CG 4.45Å; R324-F356 HydrophobicContact CG-CD2 4.35Å; R324-F356 PolarHBondContact O-N 2.91Å; T325-F356 WeakPolarHBondContact CA-O 3.36Å; R354-F356 HydrophobicContact CG-CE1 4.3Å; R354-F356 HydrophobicContact CG-CE2 4.5Å; R354-F356 HydrophobicContact CG-CZ 4.08Å; F356-A367 CarbonylContact C-O 3.53Å; F356-A367 VanDerWaalsContact CA-O 3.3Å; F356-A367 WeakPolarHBondContact CA-O 3.37Å; F356-E368 HydrophobicContact CD1-CB 3.86Å; F356-E368 HydrophobicContact CE1-CB 4.05Å
357R93.8Very high90.2Very high74 Ų7447.8 Ų47.828%0.27925%0.248SC..  trans-135.9137.6177.1-61.4-171.7-175.6173.7-0.1109.3F273 T325 E359 A367 F369F273-R357 VanDerWaalsContact CE2-O 3.22Å; F273-R357 WeakPolarHBondContact CE2-O 3.22Å; T325-R357 PolarHBondContact O-NE 3.03Å; T325-R357 VanDerWaalsContact O-NE 3.1Å; R357-E359 HydrophobicContact CB-CG 4.02Å; R357-E359 VanDerWaalsContact CD-OE1 3.23Å; R357-E359 WeakPolarHBondContact CD-OE1 3.26Å; R357-E359 IonicContact NH1-OE1 2.78Å; R357-E359 PolarHBondContact O-N 3.43Å; R357-A367 PolarHBondContact N-O 3.18Å; R357-A367 VanDerWaalsContact O-CA 3.3Å; R357-A367 WeakPolarHBondContact O-CA 3.47Å; R357-F369 HydrophobicContact CG-CE1 4.08Å
358N92.6Very high90Very high60 Ų6050.4 Ų50.432%0.32126%0.257SS..  trans-79.954.7179.3-165.412.5000110.8A269 D271 F273A269-N358 PolarHBondContact O-ND2 3.12Å; D271-N358 PolarHBondContact O-N 3.29Å; F273-N358 HydrophobicContact CD1-CB 3.96Å; F273-N358 HydrophobicContact CD2-CB 4.4Å; F273-N358 HydrophobicContact CE1-CB 3.68Å; F273-N358 VanDerWaalsContact CE1-CG 3.4Å; F273-N358 WeakPolarHBondContact CE1-OD1 3.35Å; F273-N358 HydrophobicContact CE2-CB 4.18Å; F273-N358 HydrophobicContact CG-CB 4.31Å; F273-N358 HydrophobicContact CZ-CB 3.81Å
359E86Confident89.8Confident59 Ų5947 Ų4728%0.27624%0.242SC..  trans-94.4147.4177.8-68176.3-159.400109.9R357 L361 H365R357-E359 HydrophobicContact CB-CG 4.02Å; R357-E359 VanDerWaalsContact CD-OE1 3.23Å; R357-E359 WeakPolarHBondContact CD-OE1 3.26Å; R357-E359 IonicContact NH1-OE1 2.78Å; R357-E359 PolarHBondContact O-N 3.43Å; E359-L361 PolarHBondContact O-N 3.03Å; E359-H365 IonicContact OE2-CD2 3.63Å; E359-H365 PolarHBondContact OE2-CD2 3.47Å; E359-H365 VanDerWaalsContact OE2-CD2 3.25Å; E359-H365 IonicContact OE2-CG 3.88Å
360N82.5Confident89.6Confident147 Ų14746.7 Ų46.779%0.78624%0.242SC*.  trans-62.1128.7174.6-76.5-36.4000110.4D362N360-D362 PolarHBondContact O-N 3.2Å
361L79.2Confident89.5Confident116 Ų11647.3 Ų47.361%0.60725%0.245SC*.  trans-65.9114.7178.1-66.5170.6000110.7E359 L366 A367E359-L361 PolarHBondContact O-N 3.03Å; L361-L366 HydrophobicContact CD2-CD2 4.43Å; L361-A367 HydrophobicContact CD2-CB 3.92Å; L361-A367 VanDerWaalsContact CD2-N 3.3Å
362D81.1Confident89.4Confident62 Ų6247.3 Ų47.333%0.33225%0.245SC..  trans-131.8-165.6175.470.732.2000111.6N360 T364 H365 R474N360-D362 PolarHBondContact O-N 3.2Å; D362-T364 PolarHBondContact O-N 2.99Å; D362-T364 VanDerWaalsContact OD1-CA 3.3Å; D362-T364 WeakPolarHBondContact OD1-CA 3.45Å; D362-T364 PolarHBondContact OD1-N 3.16Å; D362-T364 PolarHBondContact OD1-OG1 3.39Å; D362-H365 VanDerWaalsContact CG-ND1 3.34Å; D362-H365 PolarHBondContact N-O 3.47Å; D362-H365 IonicContact OD1-CG 3.9Å; D362-H365 PolarHBondContact OD1-N 3Å; D362-H365 IonicContact OD1-ND1 2.8Å; D362-H365 PolarHBondContact OD1-ND1 3.44Å; D362-H365 VanDerWaalsContact OD1-ND1 3.11Å; D362-H365 IonicContact OD2-CE1 3.63Å; D362-H365 IonicContact OD2-CG 3.64Å; D362-H365 IonicContact OD2-ND1 3.6Å; D362-H365 PolarHBondContact OD2-ND1 3.25Å; D362-R474 PolarHBondContact O-NE 2.76Å
363A74.3Confident89.4Confident45 Ų4547.4 Ų47.437%0.37225%0.245SC..SBendtrans-71.9-12.2-179.600000113.7I473A363-I473 WeakPolarHBondContact O-CG2 3.47Å; A363-I473 PolarHBondContact O-N 3.36Å; A363-I473 VanDerWaalsContact O-N 3.09Å
364T73.8Confident89.5Confident85 Ų8546.5 Ų46.552%0.52124%0.241SC..SBendtrans-124.6-23.7-170.945.40000114.2D362D362-T364 PolarHBondContact O-N 2.99Å; D362-T364 VanDerWaalsContact OD1-CA 3.3Å; D362-T364 WeakPolarHBondContact OD1-CA 3.45Å; D362-T364 PolarHBondContact OD1-N 3.16Å; D362-T364 PolarHBondContact OD1-OG1 3.39Å
365H80.7Confident89.6Confident69 Ų6943.3 Ų43.332%0.31923%0.228SC..  trans-117.8132.9-177.3-56.597.2000110.5E359 D362E359-H365 IonicContact OE2-CD2 3.63Å; E359-H365 PolarHBondContact OE2-CD2 3.47Å; E359-H365 VanDerWaalsContact OE2-CD2 3.25Å; E359-H365 IonicContact OE2-CG 3.88Å; D362-H365 VanDerWaalsContact CG-ND1 3.34Å; D362-H365 PolarHBondContact N-O 3.47Å; D362-H365 IonicContact OD1-CG 3.9Å; D362-H365 PolarHBondContact OD1-N 3Å; D362-H365 IonicContact OD1-ND1 2.8Å; D362-H365 PolarHBondContact OD1-ND1 3.44Å; D362-H365 VanDerWaalsContact OD1-ND1 3.11Å; D362-H365 IonicContact OD2-CE1 3.63Å; D362-H365 IonicContact OD2-CG 3.64Å; D362-H365 IonicContact OD2-ND1 3.6Å; D362-H365 PolarHBondContact OD2-ND1 3.25Å
366L86.7Confident89.7Confident16 Ų1643.8 Ų43.88%0.08423%0.231CC..  trans-115.9147171.6-67.3176.9000108.7L361 E368 I473 R474 I477L361-L366 HydrophobicContact CD2-CD2 4.43Å; L366-E368 WeakPolarHBondContact CB-O 3.31Å; L366-E368 PolarHBondContact O-N 2.89Å; L366-I473 HydrophobicContact CD1-CD1 3.91Å; L366-I473 HydrophobicContact CD1-CG1 3.76Å; L366-I473 HydrophobicContact CD1-CG2 4.31Å; L366-I473 HydrophobicContact CD2-CG2 3.9Å; L366-I473 HydrophobicContact CG-CD1 3.98Å; L366-I473 HydrophobicContact CG-CG1 4.06Å; L366-I473 HydrophobicContact CG-CG2 3.75Å; L366-R474 HydrophobicContact CD2-CG 3.78Å; L366-I477 HydrophobicContact CD1-CB 4.12Å; L366-I477 HydrophobicContact CD1-CD1 4.07Å
367A92.2Very high89.8Confident25 Ų2542.7 Ų42.721%0.20723%0.226CC..SBendtrans-66.5-25.1172.300000112.3F273 F356 R357 L361F273-A367 HydrophobicContact CE2-CB 4.24Å; F273-A367 HydrophobicContact CZ-CB 4.21Å; F356-A367 CarbonylContact C-O 3.53Å; F356-A367 VanDerWaalsContact CA-O 3.3Å; F356-A367 WeakPolarHBondContact CA-O 3.37Å; R357-A367 PolarHBondContact N-O 3.18Å; R357-A367 VanDerWaalsContact O-CA 3.3Å; R357-A367 WeakPolarHBondContact O-CA 3.47Å; L361-A367 HydrophobicContact CD2-CB 3.92Å; L361-A367 VanDerWaalsContact CD2-N 3.3Å
368E93.1Very high89.9Confident68 Ų6842 Ų4232%0.31823%0.228SC..EExtended strand (participates in β ladder)trans-131.2134.117256.9169.6-156.500110.9R354 V355 F356 L366R354-E368 WeakPolarHBondContact CD-OE2 3.49Å; R354-E368 HydrophobicContact CG-CB 4.21Å; R354-E368 IonicContact CZ-OE1 3.76Å; R354-E368 IonicContact CZ-OE2 2.98Å; R354-E368 IonicContact NE-OE2 2.78Å; R354-E368 IonicContact NH1-OE1 2.85Å; R354-E368 PolarHBondContact NH1-OE1 3.27Å; R354-E368 VanDerWaalsContact NH1-OE1 3.08Å; R354-E368 IonicContact NH1-OE2 3.62Å; R354-E368 PolarHBondContact NH1-OE2 3Å; V355-E368 WeakPolarHBondContact O-CA 3.33Å; F356-E368 HydrophobicContact CD1-CB 3.86Å; F356-E368 HydrophobicContact CE1-CB 4.05Å; L366-E368 WeakPolarHBondContact CB-O 3.31Å; L366-E368 PolarHBondContact O-N 2.89Å
369F93.1Very high90.1Very high22 Ų2243.9 Ų43.910%0.09623%0.234CC..EExtended strand (participates in β ladder)trans-154.2167.817864-88.5000110.4R354 V355 R357R354-F369 CarbonylContact C-O 3.59Å; R354-F369 VanDerWaalsContact CA-O 3.31Å; R354-F369 WeakPolarHBondContact CA-O 3.47Å; V355-F369 HydrophobicContact CG2-CD1 4.23Å; V355-F369 HydrophobicContact CG2-CD2 3.85Å; V355-F369 HydrophobicContact CG2-CE1 3.88Å; V355-F369 HydrophobicContact CG2-CE2 3.45Å; V355-F369 VanDerWaalsContact CG2-CE2 3.45Å; V355-F369 HydrophobicContact CG2-CG 4.22Å; V355-F369 HydrophobicContact CG2-CZ 3.47Å; V355-F369 VanDerWaalsContact CG2-CZ 3.47Å; V355-F369 WeakPolarHBondContact CG2-O 3.36Å; V355-F369 PolarHBondContact N-O 3.02Å; V355-F369 PolarHBondContact O-N 3.11Å; V355-F369 VanDerWaalsContact O-N 3.13Å; R357-F369 HydrophobicContact CG-CE1 4.08Å
370H95Very high90.4Very high18 Ų1843.7 Ų43.78%0.08325%0.248CC..EExtended strand (participates in β ladder)trans-98.2122.8-178.1-54.975.9000110.4D353 S459 L460 E461D353-H370 CarbonylContact O-C 3.41Å; D353-H370 WeakPolarHBondContact O-CA 3.3Å; H370-S459 CarbonylContact O-C 3.45Å; H370-S459 WeakPolarHBondContact O-CA 3.44Å; H370-L460 HydrophobicContact CB-CB 3.91Å; H370-L460 HydrophobicContact CB-CD2 4.08Å; H370-L460 PolarHBondContact O-N 3.28Å; H370-E461 IonicContact CE1-OE1 2.75Å; H370-E461 IonicContact CG-OE1 3.32Å; H370-E461 PolarHBondContact N-OE1 2.93Å; H370-E461 PolarHBondContact N-OE2 2.69Å; H370-E461 IonicContact ND1-OE1 3.11Å; H370-E461 PolarHBondContact ND1-OE1 2.83Å
371Q95.6Very high91.1Very high15 Ų1537.9 Ų37.97%0.0722%0.217CC..EExtended strand (participates in β ladder)trans-97.7127.3173.5-174.4169.9-51.400109.6T327 I352 D353 V355 E373T327-Q371 HydrophobicContact CG2-CB 4.21Å; T327-Q371 WeakPolarHBondContact OG1-CG 3.38Å; T327-Q371 PolarHBondContact OG1-NE2 3.03Å; T327-Q371 VanDerWaalsContact OG1-NE2 3.09Å; I352-Q371 WeakPolarHBondContact CA-O 3.42Å; D353-Q371 PolarHBondContact N-O 3.42Å; D353-Q371 VanDerWaalsContact N-O 3.13Å; D353-Q371 PolarHBondContact O-N 3.05Å; V355-Q371 HydrophobicContact CG1-CB 3.97Å; V355-Q371 HydrophobicContact CG2-CB 4.09Å; Q371-E373 PolarHBondContact NE2-OE2 3.24Å
372V96.6Very high91.9Very high0 Ų034.8 Ų34.80%021%0.205CC..EExtended strand (participates in β ladder)trans-93.4124.11661780000107F230 L234 S351 I352 G457 L458 L460F230-V372 HydrophobicContact CD1-CG1 4.2Å; F230-V372 HydrophobicContact CD1-CG2 3.86Å; F230-V372 HydrophobicContact CE1-CG2 4.42Å; L234-V372 HydrophobicContact CD1-CG1 4.15Å; S351-V372 WeakPolarHBondContact O-CA 3.34Å; I352-V372 HydrophobicContact CB-CG2 4.37Å; I352-V372 HydrophobicContact CD1-CG1 4.46Å; I352-V372 HydrophobicContact CD1-CG2 4.18Å; I352-V372 HydrophobicContact CG1-CB 4.36Å; I352-V372 HydrophobicContact CG1-CG1 4.1Å; I352-V372 HydrophobicContact CG1-CG2 3.95Å; I352-V372 HydrophobicContact CG2-CG2 3.76Å; V372-G457 CarbonylContact O-C 3.57Å; V372-G457 VanDerWaalsContact O-CA 3.27Å; V372-G457 WeakPolarHBondContact O-CA 3.34Å; V372-L458 HydrophobicContact CB-CD1 3.72Å; V372-L458 HydrophobicContact CB-CG 4.01Å; V372-L458 HydrophobicContact CG1-CD1 4.35Å; V372-L458 HydrophobicContact CG1-CG 4.46Å; V372-L458 HydrophobicContact CG2-CD1 3.91Å; V372-L458 PolarHBondContact N-O 3.44Å; V372-L458 PolarHBondContact O-N 3.26Å; V372-L460 HydrophobicContact CG2-CB 4.21Å; V372-L460 HydrophobicContact CG2-CD1 3.99Å
373E97.4Very high92.6Very high5 Ų534.6 Ų34.62%0.02320%0.204CC..EExtended strand (participates in β ladder)trans-126.9141174.4-169.6168.1126.900110.5T327 T328 S331 Y350 S351 Q371 W456T327-E373 WeakPolarHBondContact OG1-CB 3.4Å; T327-E373 PolarHBondContact OG1-OE2 2.65Å; T328-E373 VanDerWaalsContact CA-OE1 3.24Å; T328-E373 WeakPolarHBondContact CA-OE1 3.22Å; T328-E373 WeakPolarHBondContact CA-OE2 3.39Å; T328-E373 WeakPolarHBondContact CB-OE2 3.47Å; T328-E373 PolarHBondContact N-OE2 2.83Å; T328-E373 PolarHBondContact OG1-OE2 3.41Å; S331-E373 VanDerWaalsContact CB-OE1 3.28Å; S331-E373 WeakPolarHBondContact CB-OE1 3.36Å; S331-E373 PolarHBondContact OG-OE1 3.16Å; Y350-E373 CarbonylContact C-O 3.5Å; Y350-E373 WeakPolarHBondContact CA-O 3.28Å; Y350-E373 WeakPolarHBondContact CB-O 3.25Å; S351-E373 PolarHBondContact N-O 3.23Å; S351-E373 PolarHBondContact O-N 3.49Å; Q371-E373 PolarHBondContact NE2-OE2 3.24Å; E373-W456 WeakPolarHBondContact CA-O 3.25Å; E373-W456 WeakPolarHBondContact CG-O 3.44Å
374G97.9Very high93.6Very high0 Ų034.6 Ų34.60%021%0.208CC..EExtended strand (participates in β ladder)trans-132.7143.4172.900000110.5Y349 A455 W456Y349-G374 CarbonylContact O-C 3.54Å; Y349-G374 WeakPolarHBondContact O-CA 3.38Å; G374-A455 CarbonylContact O-C 3.56Å; G374-A455 VanDerWaalsContact O-CA 3.24Å; G374-A455 WeakPolarHBondContact O-CA 3.43Å; G374-W456 PolarHBondContact N-O 3.38Å; G374-W456 PolarHBondContact O-N 2.97Å
375L98Very high94.8Very high0 Ų034.9 Ų34.90%020%0.203CC..EExtended strand (participates in β ladder)trans-140.5149.7175.372.584000111.6F239 M242 S331 L335 K348 Y349 V453 I454 A455F239-L375 WeakPolarHBondContact CE1-O 3.18Å; M242-L375 HydrophobicContact CE-CD2 4.38Å; M242-L375 HydrophobicContact SD-CD2 4.25Å; S331-L375 VanDerWaalsContact CB-CD2 3.48Å; S331-L375 WeakPolarHBondContact OG-CD2 3.36Å; L335-L375 HydrophobicContact CD2-CD1 4.33Å; K348-L375 WeakPolarHBondContact CA-O 3.5Å; Y349-L375 HydrophobicContact CD2-CD1 3.8Å; Y349-L375 HydrophobicContact CD2-CG 4.5Å; Y349-L375 HydrophobicContact CG-CD1 4.37Å; Y349-L375 PolarHBondContact N-O 3.46Å; Y349-L375 PolarHBondContact O-N 2.95Å; L375-V453 HydrophobicContact CB-CG1 4.31Å; L375-V453 HydrophobicContact CD1-CG1 4.17Å; L375-I454 CarbonylContact C-O 3.46Å; L375-I454 WeakPolarHBondContact CA-O 3.4Å; L375-A455 HydrophobicContact CB-CB 3.89Å
376V98.3Very high95.6Very high10 Ų1031.6 Ų31.66%0.06119%0.188CC..EExtended strand (participates in β ladder)trans-127122.2172.1-174.20000108.3F239 A347 K348 L381 V453 I454 W456F239-V376 HydrophobicContact CE1-CG2 3.7Å; F239-V376 HydrophobicContact CZ-CG2 3.44Å; F239-V376 VanDerWaalsContact CZ-CG2 3.44Å; A347-V376 WeakPolarHBondContact O-CA 3.4Å; K348-V376 HydrophobicContact CG-CB 4.48Å; K348-V376 HydrophobicContact CG-CG1 3.97Å; K348-V376 HydrophobicContact CG-CG2 4.09Å; V376-L381 HydrophobicContact CB-CD1 4.35Å; V376-L381 HydrophobicContact CG1-CD1 4.09Å; V376-L381 VanDerWaalsContact O-CD1 3.26Å; V376-L381 WeakPolarHBondContact O-CD1 3.42Å; V376-V453 VanDerWaalsContact O-CA 3.32Å; V376-V453 WeakPolarHBondContact O-CA 3.4Å; V376-I454 HydrophobicContact CB-CD1 3.99Å; V376-I454 HydrophobicContact CB-CG1 3.69Å; V376-I454 HydrophobicContact CG2-CD1 4.2Å; V376-I454 HydrophobicContact CG2-CG1 4.19Å; V376-I454 PolarHBondContact N-O 3.4Å; V376-I454 PolarHBondContact O-N 3.07Å; V376-W456 HydrophobicContact CG2-CZ3 4.31Å
377A97.6Very high96Very high0 Ų034.2 Ų34.20%020%0.198CC..EExtended strand (participates in β ladder)trans-107.5111.3175.100000109.1L335 L338 P346 A347 V453L335-A377 HydrophobicContact CD2-CB 4.16Å; L338-A377 HydrophobicContact CD2-CB 4.12Å; P346-A377 CarbonylContact C-O 3.53Å; P346-A377 VanDerWaalsContact CA-O 3.26Å; P346-A377 WeakPolarHBondContact CA-O 3.41Å; P346-A377 WeakPolarHBondContact CB-O 3.48Å; A347-A377 PolarHBondContact N-O 3.11Å; A347-A377 PolarHBondContact O-N 2.75Å; A377-V453 HydrophobicContact CB-CG1 4.3Å; A377-V453 HydrophobicContact CB-CG2 3.79Å
378D97Very high96.2Very high60 Ų6036.2 Ų36.232%0.32121%0.211SC..EExtended strand (participates in β ladder)trans-157.9167.6-179.8-153.4-10.6000110.8P346 L381 S452P346-D378 HydrophobicContact CB-CB 4.2Å; P346-D378 VanDerWaalsContact CG-OD1 3.31Å; P346-D378 WeakPolarHBondContact CG-OD1 3.49Å; D378-L381 HydrophobicContact CB-CD1 3.73Å; D378-L381 HydrophobicContact CB-CD2 4.18Å; D378-L381 HydrophobicContact CB-CG 3.9Å; D378-S452 PolarHBondContact N-O 3.04Å; D378-S452 VanDerWaalsContact N-O 3.14Å; D378-S452 PolarHBondContact O-N 3.5Å
379F95.7Very high96.4Very high99 Ų9934.3 Ų34.343%0.43420%0.204SC..EExtended strand (participates in β ladder)trans-79.9141178.9-60.8-83.3000111.1F344 L381 P448 L451F344-F379 AromaticContact CD1-CE2 3.74Å; F344-F379 HydrophobicContact CD1-CE2 3.74Å; F344-F379 AromaticContact CD1-CZ 3.8Å; F344-F379 HydrophobicContact CD1-CZ 3.8Å; F344-F379 AromaticContact CE1-CE2 3.87Å; F344-F379 HydrophobicContact CE1-CE2 3.87Å; F344-F379 HydrophobicContact CE1-CZ 4.1Å; F379-L381 VanDerWaalsContact C-N 3.31Å; F379-L381 PolarHBondContact O-N 3.18Å; F379-P448 HydrophobicContact CE1-CB 4.29Å; F379-P448 HydrophobicContact CE1-CG 4.09Å; F379-P448 HydrophobicContact CZ-CB 4.33Å; F379-P448 HydrophobicContact CZ-CG 3.87Å; F379-L451 HydrophobicContact CD1-CB 4.48Å; F379-L451 HydrophobicContact CE1-CB 4.22Å; F379-L451 HydrophobicContact CE1-CD1 4.39Å; F379-L451 HydrophobicContact CZ-CD1 4.4Å
380G93.8Very high96.5Very high56 Ų5633.3 Ų33.358%0.57720%0.199SC*.THydrogen-bonded Turntrans68.623.3174.900000115.2
381L96.6Very high96.5Very high25 Ų2539.1 Ų39.113%0.13122%0.221CC..  trans-68.8142.5174.9-65.3171.4000111.3V376 D378 F379 H385 S452 I454V376-L381 HydrophobicContact CB-CD1 4.35Å; V376-L381 HydrophobicContact CG1-CD1 4.09Å; V376-L381 VanDerWaalsContact O-CD1 3.26Å; V376-L381 WeakPolarHBondContact O-CD1 3.42Å; D378-L381 HydrophobicContact CB-CD1 3.73Å; D378-L381 HydrophobicContact CB-CD2 4.18Å; D378-L381 HydrophobicContact CB-CG 3.9Å; F379-L381 VanDerWaalsContact C-N 3.31Å; F379-L381 PolarHBondContact O-N 3.18Å; L381-H385 HydrophobicContact CD2-CB 4.07Å; L381-S452 WeakPolarHBondContact CD1-O 3.34Å; L381-I454 HydrophobicContact CB-CG2 4.01Å; L381-I454 HydrophobicContact CD1-CD1 4.44Å; L381-I454 HydrophobicContact CD1-CG1 4.1Å; L381-I454 HydrophobicContact CD2-CD1 4.37Å
382S95.5Very high96.5Very high51 Ų5141.4 Ų41.436%0.35724%0.236SC..  trans-132.3170-175.474.60000110.4G384 H385 L386S382-G384 PolarHBondContact O-N 2.81Å; S382-G384 PolarHBondContact OG-N 3.23Å; S382-H385 PolarHBondContact N-ND1 3.12Å; S382-H385 VanDerWaalsContact N-ND1 3.19Å; S382-H385 WeakPolarHBondContact O-CB 3.15Å; S382-H385 PolarHBondContact O-N 2.72Å; S382-H385 PolarHBondContact OG-N 2.84Å; S382-H385 PolarHBondContact OG-ND1 2.82Å; S382-L386 PolarHBondContact O-N 2.85Å
383L95.8Very high96.4Very high58 Ų5841.4 Ų41.430%0.30424%0.236SC..Hα-helixtrans-56.9-30.7173.3-15764.9000113.1L386 K387 P414 M416 L436L383-L386 HydrophobicContact CD1-CD2 4.41Å; L383-L386 PolarHBondContact O-N 2.89Å; L383-K387 WeakPolarHBondContact O-CG 3.34Å; L383-K387 PolarHBondContact O-N 2.83Å; L383-P414 HydrophobicContact CD1-CB 4.44Å; L383-P414 HydrophobicContact CD1-CG 3.61Å; L383-P414 HydrophobicContact CD2-CG 4.39Å; L383-P414 HydrophobicContact CG-CG 4.48Å; L383-M416 HydrophobicContact CD1-CE 2.95Å; L383-M416 HydrophobicContact CD2-CE 3.87Å; L383-M416 HydrophobicContact CG-CE 3.32Å; L383-L436 HydrophobicContact CD1-CD1 3.76Å
384G96.6Very high96.1Very high44 Ų4441.2 Ų41.245%0.45424%0.235SC..Hα-helixtrans-66.3-41.3176.100000112.3S382 K387 S388S382-G384 PolarHBondContact O-N 2.81Å; S382-G384 PolarHBondContact OG-N 3.23Å; G384-K387 PolarHBondContact O-N 2.98Å; G384-S388 WeakPolarHBondContact O-CB 3.38Å; G384-S388 PolarHBondContact O-N 2.85Å
385H97.5Very high95.7Very high91 Ų9144.6 Ų44.642%0.42126%0.258SS..Hα-helixtrans-62.2-45.6174.7-62.5136.1000111.1L381 S382 K387 S388 V389 I454L381-H385 HydrophobicContact CD2-CB 4.07Å; S382-H385 PolarHBondContact N-ND1 3.12Å; S382-H385 VanDerWaalsContact N-ND1 3.19Å; S382-H385 WeakPolarHBondContact O-CB 3.15Å; S382-H385 PolarHBondContact O-N 2.72Å; S382-H385 PolarHBondContact OG-N 2.84Å; S382-H385 PolarHBondContact OG-ND1 2.82Å; H385-K387 PolarHBondContact O-N 3.33Å; H385-S388 WeakPolarHBondContact O-CB 3.42Å; H385-S388 PolarHBondContact O-N 2.86Å; H385-S388 VanDerWaalsContact O-N 3.15Å; H385-V389 WeakPolarHBondContact O-CG2 3.29Å; H385-V389 PolarHBondContact O-N 3Å; H385-I454 HydrophobicContact CB-CD1 4.28Å
386L97.1Very high95.3Very high0 Ų049.4 Ų49.40%028%0.279CS..Hα-helixtrans-57.3-49.7175.9179.157.7000112.2S382 L383 S388 V389 I390 M416 L436 I454 W456S382-L386 PolarHBondContact O-N 2.85Å; L383-L386 HydrophobicContact CD1-CD2 4.41Å; L383-L386 PolarHBondContact O-N 2.89Å; L386-S388 VanDerWaalsContact C-N 3.27Å; L386-S388 PolarHBondContact O-N 2.78Å; L386-V389 PolarHBondContact O-N 2.93Å; L386-I390 HydrophobicContact CD1-CD1 3.68Å; L386-I390 HydrophobicContact CD1-CG1 4.12Å; L386-I390 HydrophobicContact CG-CD1 3.79Å; L386-I390 VanDerWaalsContact O-CG1 3.31Å; L386-I390 WeakPolarHBondContact O-CG1 3.47Å; L386-I390 PolarHBondContact O-N 3.04Å; L386-M416 HydrophobicContact CD2-CE 4.05Å; L386-L436 HydrophobicContact CD2-CD1 4.12Å; L386-I454 HydrophobicContact CB-CB 4.09Å; L386-I454 HydrophobicContact CB-CD1 4.28Å; L386-I454 HydrophobicContact CB-CG2 3.99Å; L386-I454 HydrophobicContact CD1-CB 4.03Å; L386-I454 HydrophobicContact CG-CB 4.46Å; L386-W456 HydrophobicContact CD1-CB 4.46Å; L386-W456 HydrophobicContact CD1-CE3 4.2Å
387K96.2Very high94.7Very high71 Ų7150.3 Ų50.331%0.30928%0.284SS..Hα-helixtrans-59.8-37.8176.8-71.9176.7-179.8177.30112.5L383 G384 H385 R391 F404 M416L383-K387 WeakPolarHBondContact O-CG 3.34Å; L383-K387 PolarHBondContact O-N 2.83Å; G384-K387 PolarHBondContact O-N 2.98Å; H385-K387 PolarHBondContact O-N 3.33Å; K387-R391 WeakPolarHBondContact O-CB 3.29Å; K387-R391 VanDerWaalsContact O-CG 3.26Å; K387-R391 WeakPolarHBondContact O-CG 3.25Å; K387-R391 PolarHBondContact O-N 3.21Å; K387-F404 HydrophobicContact CB-CE2 4.04Å; K387-F404 HydrophobicContact CB-CZ 4.03Å; K387-F404 HydrophobicContact CD-CD2 4.02Å; K387-F404 HydrophobicContact CD-CE2 4.21Å; K387-F404 HydrophobicContact CD-CG 4.45Å; K387-F404 HydrophobicContact CG-CD1 4.36Å; K387-F404 HydrophobicContact CG-CD2 3.98Å; K387-F404 HydrophobicContact CG-CE1 4.22Å; K387-F404 HydrophobicContact CG-CE2 3.84Å; K387-F404 HydrophobicContact CG-CG 4.23Å; K387-F404 HydrophobicContact CG-CZ 3.96Å; K387-M416 HydrophobicContact CD-CE 4.5Å; K387-M416 HydrophobicContact CD-SD 4.48Å; K387-M416 HydrophobicContact CG-CE 4.04Å; K387-M416 HydrophobicContact CG-SD 3.83Å
388S96.3Very high94Very high67 Ų6752 Ų5247%0.46930%0.301SS..Hα-helixtrans-66.7-45.5178.4-171.10000112.1G384 H385 L386 R391 T392G384-S388 WeakPolarHBondContact O-CB 3.38Å; G384-S388 PolarHBondContact O-N 2.85Å; H385-S388 WeakPolarHBondContact O-CB 3.42Å; H385-S388 PolarHBondContact O-N 2.86Å; H385-S388 VanDerWaalsContact O-N 3.15Å; L386-S388 VanDerWaalsContact C-N 3.27Å; L386-S388 PolarHBondContact O-N 2.78Å; S388-R391 PolarHBondContact O-N 3.16Å; S388-T392 WeakPolarHBondContact O-CB 3.2Å; S388-T392 PolarHBondContact O-N 3.3Å; S388-T392 PolarHBondContact O-OG1 3.44Å
389V96.5Very high93.3Very high29 Ų2951 Ų5118%0.17630%0.295CS..Hα-helixtrans-61.3-47.8177.1173.90000110.5M237 F239 H385 L386 R391 T392 F393 I454 W456M237-V389 HydrophobicContact CE-CG1 4.05Å; F239-V389 HydrophobicContact CZ-CG1 4.19Å; H385-V389 WeakPolarHBondContact O-CG2 3.29Å; H385-V389 PolarHBondContact O-N 3Å; L386-V389 PolarHBondContact O-N 2.93Å; V389-R391 PolarHBondContact O-N 3.38Å; V389-T392 PolarHBondContact O-N 2.82Å; V389-F393 WeakPolarHBondContact O-CB 3.45Å; V389-F393 PolarHBondContact O-N 2.9Å; V389-I454 HydrophobicContact CG2-CD1 4.25Å; V389-W456 HydrophobicContact CG1-CE3 4.26Å; V389-W456 HydrophobicContact CG1-CH2 3.33Å; V389-W456 HydrophobicContact CG1-CZ2 4Å; V389-W456 HydrophobicContact CG1-CZ3 3.5Å
390I95.6Very high92.8Very high0 Ų051.6 Ų51.60%031%0.307CS..Hα-helixtrans-60-47177.4-67.2165.6000111L386 T392 F393 F394 L402 F404 I418 W456L386-I390 HydrophobicContact CD1-CD1 3.68Å; L386-I390 HydrophobicContact CD1-CG1 4.12Å; L386-I390 HydrophobicContact CG-CD1 3.79Å; L386-I390 VanDerWaalsContact O-CG1 3.31Å; L386-I390 WeakPolarHBondContact O-CG1 3.47Å; L386-I390 PolarHBondContact O-N 3.04Å; I390-T392 VanDerWaalsContact C-N 3.33Å; I390-T392 PolarHBondContact O-N 3.27Å; I390-F393 PolarHBondContact O-N 3.03Å; I390-F394 HydrophobicContact CG2-CD2 3.55Å; I390-F394 HydrophobicContact CG2-CE2 3.73Å; I390-F394 WeakPolarHBondContact O-CD2 3.41Å; I390-F394 PolarHBondContact O-N 2.79Å; I390-L402 HydrophobicContact CG2-CD1 4.32Å; I390-F404 HydrophobicContact CB-CE1 4.22Å; I390-F404 HydrophobicContact CB-CZ 4.4Å; I390-F404 HydrophobicContact CD1-CE1 4.03Å; I390-F404 HydrophobicContact CG2-CE1 3.84Å; I390-F404 HydrophobicContact CG2-CZ 4.16Å; I390-I418 HydrophobicContact CD1-CD1 3.71Å; I390-I418 HydrophobicContact CD1-CG1 4.14Å; I390-I418 HydrophobicContact CG1-CD1 4.16Å; I390-I418 HydrophobicContact CG2-CD1 3.87Å; I390-I418 HydrophobicContact CG2-CG1 4.34Å; I390-I418 HydrophobicContact CG2-CG2 3.99Å; I390-W456 HydrophobicContact CD1-CB 4.22Å; I390-W456 HydrophobicContact CG1-CB 4.21Å; I390-W456 HydrophobicContact CG1-CD2 4.44Å; I390-W456 HydrophobicContact CG1-CG 4.15Å
391R95.2Very high92.5Very high141 Ų14153.9 Ų53.953%0.53230%0.303SS..Hα-helixtrans-60.1-42.2177.1-80175173161.7-2.1112.3K387 S388 V389 S395 L402 F404K387-R391 WeakPolarHBondContact O-CB 3.29Å; K387-R391 VanDerWaalsContact O-CG 3.26Å; K387-R391 WeakPolarHBondContact O-CG 3.25Å; K387-R391 PolarHBondContact O-N 3.21Å; S388-R391 PolarHBondContact O-N 3.16Å; V389-R391 PolarHBondContact O-N 3.38Å; R391-S395 WeakPolarHBondContact O-CB 3.5Å; R391-S395 PolarHBondContact O-N 2.9Å; R391-L402 HydrophobicContact CG-CD1 4.08Å; R391-F404 HydrophobicContact CG-CE2 4.45Å; R391-F404 HydrophobicContact CG-CZ 4.24Å
392T95.2Very high92.3Very high63 Ų6353.8 Ų53.839%0.38730%0.302SS..Hα-helixtrans-64.4-44.4178.3-56.70000111M237 S388 V389 I390 S395 K396M237-T392 HydrophobicContact CE-CG2 4.11Å; M237-T392 HydrophobicContact SD-CG2 4.4Å; S388-T392 WeakPolarHBondContact O-CB 3.2Å; S388-T392 PolarHBondContact O-N 3.3Å; S388-T392 PolarHBondContact O-OG1 3.44Å; V389-T392 PolarHBondContact O-N 2.82Å; I390-T392 VanDerWaalsContact C-N 3.33Å; I390-T392 PolarHBondContact O-N 3.27Å; T392-S395 PolarHBondContact O-N 2.91Å; T392-K396 PolarHBondContact O-N 3.18Å
393F94.1Very high92.3Very high0 Ų058.5 Ų58.50%031%0.313CS..Hα-helixtrans-59.8-53.6177.3174.3-101.8000111.8F230 I233 L234 M237 V389 I390 S395 K396 L397 L458F230-F393 HydrophobicContact CD1-CE1 4.48Å; F230-F393 HydrophobicContact CD1-CE2 4.43Å; F230-F393 AromaticContact CD1-CZ 3.6Å; F230-F393 HydrophobicContact CD1-CZ 3.6Å; F230-F393 HydrophobicContact CE1-CE1 4.17Å; F230-F393 AromaticContact CE1-CZ 3.7Å; F230-F393 HydrophobicContact CE1-CZ 3.7Å; F230-F393 HydrophobicContact CG-CZ 4.32Å; I233-F393 HydrophobicContact CG2-CD2 3.65Å; I233-F393 HydrophobicContact CG2-CE2 3.87Å; L234-F393 HydrophobicContact CD1-CE2 4.18Å; L234-F393 HydrophobicContact CD2-CD2 3.82Å; L234-F393 HydrophobicContact CD2-CE2 3.84Å; L234-F393 HydrophobicContact CG-CD2 4.2Å; L234-F393 HydrophobicContact CG-CE2 3.81Å; M237-F393 HydrophobicContact CE-CB 4.06Å; M237-F393 HydrophobicContact SD-CB 3.96Å; M237-F393 HydrophobicContact SD-CD2 4.17Å; V389-F393 WeakPolarHBondContact O-CB 3.45Å; V389-F393 PolarHBondContact O-N 2.9Å; I390-F393 PolarHBondContact O-N 3.03Å; F393-S395 PolarHBondContact O-N 3.25Å; F393-K396 PolarHBondContact O-N 3.1Å; F393-L397 HydrophobicContact CD1-CD1 4.19Å; F393-L397 HydrophobicContact CE1-CD1 3.58Å; F393-L397 HydrophobicContact CZ-CD1 3.77Å; F393-L397 PolarHBondContact O-N 3.4Å; F393-L458 HydrophobicContact CE1-CD2 3.72Å; F393-L458 HydrophobicContact CZ-CD2 4.4Å
394F90.7Very high92.3Very high1 Ų157.8 Ų57.80%0.00431%0.307CS..Hα-helixtrans-70.2-30.5-179.4-80.4-67.5000113.4I390 K396 L397 G398 L399 L402 I418 I431 L458I390-F394 HydrophobicContact CG2-CD2 3.55Å; I390-F394 HydrophobicContact CG2-CE2 3.73Å; I390-F394 WeakPolarHBondContact O-CD2 3.41Å; I390-F394 PolarHBondContact O-N 2.79Å; F394-K396 VanDerWaalsContact C-N 3.28Å; F394-K396 PolarHBondContact O-N 2.9Å; F394-L397 HydrophobicContact CD1-CD1 3.98Å; F394-L397 HydrophobicContact CE1-CD1 4.3Å; F394-L397 CarbonylContact O-C 3.57Å; F394-L397 WeakPolarHBondContact O-CA 3.47Å; F394-L397 WeakPolarHBondContact O-CB 3.45Å; F394-L397 PolarHBondContact O-N 2.87Å; F394-G398 PolarHBondContact O-N 2.92Å; F394-L399 CarbonylContact C-O 3.55Å; F394-L399 HydrophobicContact CB-CB 4.16Å; F394-L399 HydrophobicContact CD1-CB 4.2Å; F394-L399 HydrophobicContact CD1-CD1 3.76Å; F394-L399 HydrophobicContact CE1-CD1 4.16Å; F394-L399 PolarHBondContact O-N 2.85Å; F394-L402 HydrophobicContact CB-CD1 3.66Å; F394-L402 HydrophobicContact CB-CD2 4.32Å; F394-L402 HydrophobicContact CB-CG 4.37Å; F394-L402 HydrophobicContact CD2-CD1 3.86Å; F394-L402 HydrophobicContact CD2-CD2 4.17Å; F394-L402 HydrophobicContact CG-CD1 4.04Å; F394-L402 HydrophobicContact CG-CD2 4.16Å; F394-I418 HydrophobicContact CE2-CD1 4.4Å; F394-I418 HydrophobicContact CE2-CG2 3.99Å; F394-I431 HydrophobicContact CD1-CD1 3.94Å; F394-I431 HydrophobicContact CD2-CD1 4.22Å; F394-I431 HydrophobicContact CE1-CD1 3.38Å; F394-I431 HydrophobicContact CE1-CG1 4.11Å; F394-I431 HydrophobicContact CE2-CD1 3.7Å; F394-I431 HydrophobicContact CE2-CG1 4.24Å; F394-I431 HydrophobicContact CG-CD1 4.33Å; F394-I431 HydrophobicContact CZ-CB 4.4Å; F394-I431 HydrophobicContact CZ-CD1 3.24Å; F394-I431 HydrophobicContact CZ-CG1 3.63Å; F394-L458 HydrophobicContact CE1-CD2 4.39Å; F394-L458 HydrophobicContact CE2-CD2 4.36Å; F394-L458 HydrophobicContact CZ-CD2 3.69Å
395S90.4Very high92.3Very high70 Ų7060.7 Ų60.749%0.4931%0.307SS..Hα-helixtrans-62.2-36.4172.4-176.30000111.9R391 T392 F393 L397 G398R391-S395 WeakPolarHBondContact O-CB 3.5Å; R391-S395 PolarHBondContact O-N 2.9Å; T392-S395 PolarHBondContact O-N 2.91Å; F393-S395 PolarHBondContact O-N 3.25Å; S395-L397 PolarHBondContact O-N 3.23Å; S395-G398 PolarHBondContact O-N 2.98Å; S395-G398 VanDerWaalsContact O-N 3.14Å
396K90.1Very high92.2Very high101 Ų10161.8 Ų61.844%0.43932%0.322SS..Hα-helixtrans-68.6-23.3174-74.4176.3175.4-82.70112.7I233 M237 T392 F393 F394 G398I233-K396 HydrophobicContact CD1-CB 4.11Å; I233-K396 HydrophobicContact CG1-CB 4.17Å; I233-K396 HydrophobicContact CG2-CB 3.87Å; I233-K396 HydrophobicContact CG2-CD 3.82Å; M237-K396 HydrophobicContact CG-CD 4.07Å; M237-K396 HydrophobicContact SD-CD 4.16Å; T392-K396 PolarHBondContact O-N 3.18Å; F393-K396 PolarHBondContact O-N 3.1Å; F394-K396 VanDerWaalsContact C-N 3.28Å; F394-K396 PolarHBondContact O-N 2.9Å; K396-G398 VanDerWaalsContact C-N 3.34Å
397L84.6Confident92.1Very high29 Ų2963.1 Ų63.115%0.15233%0.334CS..THydrogen-bonded Turntrans-84.5-3.3171.8-69.1170.3000113.8F230 I233 F393 F394 S395F230-L397 HydrophobicContact CD2-CD2 3.8Å; F230-L397 HydrophobicContact CE1-CD1 4Å; F230-L397 HydrophobicContact CE2-CD1 3.86Å; F230-L397 HydrophobicContact CE2-CD2 3.38Å; F230-L397 HydrophobicContact CE2-CG 4.29Å; F230-L397 HydrophobicContact CZ-CD1 3.52Å; F230-L397 HydrophobicContact CZ-CD2 3.98Å; F230-L397 HydrophobicContact CZ-CG 4.43Å; I233-L397 HydrophobicContact CD1-CD2 3.38Å; I233-L397 HydrophobicContact CD1-CG 3.78Å; F393-L397 HydrophobicContact CD1-CD1 4.19Å; F393-L397 HydrophobicContact CE1-CD1 3.58Å; F393-L397 HydrophobicContact CZ-CD1 3.77Å; F393-L397 PolarHBondContact O-N 3.4Å; F394-L397 HydrophobicContact CD1-CD1 3.98Å; F394-L397 HydrophobicContact CE1-CD1 4.3Å; F394-L397 CarbonylContact O-C 3.57Å; F394-L397 WeakPolarHBondContact O-CA 3.47Å; F394-L397 WeakPolarHBondContact O-CB 3.45Å; F394-L397 PolarHBondContact O-N 2.87Å; S395-L397 PolarHBondContact O-N 3.23Å
398G83.2Confident91.9Very high35 Ų3567.4 Ų67.436%0.36135%0.349SS..THydrogen-bonded Turntrans82.18.6-175.400000114.7F394 S395 K396F394-G398 PolarHBondContact O-N 2.92Å; S395-G398 PolarHBondContact O-N 2.98Å; S395-G398 VanDerWaalsContact O-N 3.14Å; K396-G398 VanDerWaalsContact C-N 3.34Å
399L82.3Confident91.8Very high39 Ų3964.9 Ų64.920%0.20433%0.33CS..  trans-97.599.6177.3-65.2177.7000110.2F394F394-L399 CarbonylContact C-O 3.55Å; F394-L399 HydrophobicContact CB-CB 4.16Å; F394-L399 HydrophobicContact CD1-CB 4.2Å; F394-L399 HydrophobicContact CD1-CD1 3.76Å; F394-L399 HydrophobicContact CE1-CD1 4.16Å; F394-L399 PolarHBondContact O-N 2.85Å
400T84.7Confident91.6Very high112 Ų11264 Ų6469%0.68733%0.325SS*.  trans-95.5-27.3-175.555.80000113.7L402T400-L402 PolarHBondContact O-N 2.91Å
401Q89.1Confident91.6Very high105 Ų10565.9 Ų65.949%0.49133%0.332SS..  trans-89.187.7-175.9-66.7-173.9-24.200111.2S420 Y421 W428Q401-S420 WeakPolarHBondContact O-CA 3.38Å; Q401-Y421 PolarHBondContact O-N 2.98Å; Q401-Y421 VanDerWaalsContact OE1-CB 3.27Å; Q401-W428 HydrophobicContact CB-CH2 4.23Å; Q401-W428 WeakPolarHBondContact O-CZ3 3.2Å
402L92.2Very high91.6Very high22 Ų2259.4 Ų59.412%0.11531%0.309CS..EExtended strand (participates in β ladder)trans-111.7139.7179.4-66.1177.2000113.3I390 R391 F394 T400 I418 F419 I431I390-L402 HydrophobicContact CG2-CD1 4.32Å; R391-L402 HydrophobicContact CG-CD1 4.08Å; F394-L402 HydrophobicContact CB-CD1 3.66Å; F394-L402 HydrophobicContact CB-CD2 4.32Å; F394-L402 HydrophobicContact CB-CG 4.37Å; F394-L402 HydrophobicContact CD2-CD1 3.86Å; F394-L402 HydrophobicContact CD2-CD2 4.17Å; F394-L402 HydrophobicContact CG-CD1 4.04Å; F394-L402 HydrophobicContact CG-CD2 4.16Å; T400-L402 PolarHBondContact O-N 2.91Å; L402-I418 HydrophobicContact CD2-CG2 4.2Å; L402-F419 CarbonylContact C-O 3.57Å; L402-F419 WeakPolarHBondContact CA-O 3.35Å; L402-I431 HydrophobicContact CD2-CD1 3.63Å
403R94.5Very high91.6Very high151 Ų15162.2 Ų62.257%0.5732%0.317SS*.EExtended strand (participates in β ladder)trans-125.9151.3168.5-76.6-179.8-179.3-175.70.5110.2F419 W428R403-F419 HydrophobicContact CB-CB 4.3Å; R403-F419 PolarHBondContact N-O 2.96Å; R403-F419 PolarHBondContact O-N 3.45Å; R403-W428 HydrophobicContact CB-CE3 4.11Å; R403-W428 HydrophobicContact CB-CH2 4.34Å; R403-W428 HydrophobicContact CB-CZ3 3.84Å; R403-W428 HydrophobicContact CG-CE3 4.1Å; R403-W428 HydrophobicContact CG-CH2 3.55Å; R403-W428 HydrophobicContact CG-CZ2 4.05Å; R403-W428 HydrophobicContact CG-CZ3 3.57Å
404F95.8Very high91.6Very high42 Ų4265 Ų6518%0.18434%0.335CS..EExtended strand (participates in β ladder)trans-120.8134.4178.4-56.9-79.3000108.9K387 I390 R391 M416 E417 I418K387-F404 HydrophobicContact CB-CE2 4.04Å; K387-F404 HydrophobicContact CB-CZ 4.03Å; K387-F404 HydrophobicContact CD-CD2 4.02Å; K387-F404 HydrophobicContact CD-CE2 4.21Å; K387-F404 HydrophobicContact CD-CG 4.45Å; K387-F404 HydrophobicContact CG-CD1 4.36Å; K387-F404 HydrophobicContact CG-CD2 3.98Å; K387-F404 HydrophobicContact CG-CE1 4.22Å; K387-F404 HydrophobicContact CG-CE2 3.84Å; K387-F404 HydrophobicContact CG-CG 4.23Å; K387-F404 HydrophobicContact CG-CZ 3.96Å; I390-F404 HydrophobicContact CB-CE1 4.22Å; I390-F404 HydrophobicContact CB-CZ 4.4Å; I390-F404 HydrophobicContact CD1-CE1 4.03Å; I390-F404 HydrophobicContact CG2-CE1 3.84Å; I390-F404 HydrophobicContact CG2-CZ 4.16Å; R391-F404 HydrophobicContact CG-CE2 4.45Å; R391-F404 HydrophobicContact CG-CZ 4.24Å; F404-M416 HydrophobicContact CB-CG 4.5Å; F404-M416 HydrophobicContact CB-SD 3.77Å; F404-M416 HydrophobicContact CD1-CG 4.16Å; F404-M416 HydrophobicContact CD1-SD 3.3Å; F404-M416 WeakPolarHBondContact CD1-SD 3.4Å; F404-M416 HydrophobicContact CE1-SD 4.02Å; F404-M416 HydrophobicContact CG-SD 3.69Å; F404-E417 WeakPolarHBondContact CA-O 2.96Å; F404-I418 HydrophobicContact CD1-CG1 4.36Å; F404-I418 HydrophobicContact CE1-CG1 4.35Å; F404-I418 HydrophobicContact CE1-CG2 4.26Å
405K96.2Very high91.9Very high105 Ų10565.5 Ų65.546%0.45734%0.339SS..EExtended strand (participates in β ladder)trans-123.4131.2178.6178.3-176151.6-133.60108.4A407 M416 E417 F419K405-A407 PolarHBondContact O-N 2.71Å; K405-M416 CarbonylContact O-C 3.46Å; K405-M416 WeakPolarHBondContact O-CA 2.98Å; K405-M416 WeakPolarHBondContact O-CB 3.13Å; K405-E417 HydrophobicContact CB-CB 4.41Å; K405-E417 WeakPolarHBondContact CD-OE2 3.5Å; K405-E417 PolarHBondContact N-O 3.31Å; K405-E417 IonicContact NZ-OE1 2.79Å; K405-E417 IonicContact NZ-OE2 3.21Å; K405-E417 PolarHBondContact NZ-OE2 3.39Å; K405-E417 PolarHBondContact O-N 3.35Å; K405-F419 HydrophobicContact CB-CD2 4.17Å; K405-F419 HydrophobicContact CB-CE2 3.79Å; K405-F419 HydrophobicContact CD-CE2 3.95Å; K405-F419 HydrophobicContact CD-CZ 4.26Å
406P96.8Very high92.2Very high114 Ų11462.5 Ų62.574%0.7432%0.317SS*.EExtended strand (participates in β ladder)trans-54.4138173.5-2534.6000111.3
407A94.4Very high92.5Very high29 Ų2959.4 Ų59.424%0.2431%0.305CS..EExtended strand (participates in β ladder)trans-138.5-179.7-179.900000109.8K405 S415 E417K405-A407 PolarHBondContact O-N 2.71Å; A407-S415 PolarHBondContact N-O 3.36Å; A407-S415 VanDerWaalsContact N-O 3.11Å; A407-S415 WeakPolarHBondContact O-CB 3.36Å; A407-E417 HydrophobicContact CB-CB 4.48Å; A407-E417 HydrophobicContact CB-CG 3.8Å
408Y93Very high93Very high160 Ų16058 Ų5863%0.62730%0.297SS*.EExtended strand (participates in β ladder)trans-125.2125.9174.8172.3-96.3000109P410Y408-P410 HydrophobicContact CE1-CG 4.17Å
409N93.5Very high93.4Very high15 Ų1558.2 Ų58.28%0.0829%0.288CS..EExtended strand (participates in β ladder)trans-128.9137.9161.3-44.9-58.2000108.8Y411 T412 S415 N433N409-Y411 HydrophobicContact CB-CD2 4.4Å; N409-Y411 HydrophobicContact CB-CE1 4.5Å; N409-Y411 HydrophobicContact CB-CE2 4.06Å; N409-Y411 PolarHBondContact O-N 3.1Å; N409-T412 WeakPolarHBondContact CB-OG1 3.36Å; N409-T412 PolarHBondContact ND2-OG1 2.89Å; N409-T412 PolarHBondContact O-N 3.25Å; N409-S415 PolarHBondContact N-OG 3.44Å; N409-S415 WeakPolarHBondContact ND2-CB 3.12Å; N409-N433 PolarHBondContact ND2-OD1 2.84Å; N409-N433 PolarHBondContact OD1-ND2 2.98Å; N409-N433 PolarHBondContact OD1-OD1 3.02Å
410P93Very high93.8Very high10 Ų1056.8 Ų56.87%0.06528%0.281CS..THydrogen-bonded Turntrans-53.4-34.8-176.3-27.434.1000114.4Q260 Y408 R438Q260-P410 HydrophobicContact CB-CB 4.22Å; Q260-P410 HydrophobicContact CG-CB 4.14Å; Q260-P410 HydrophobicContact CG-CG 4.19Å; Y408-P410 HydrophobicContact CE1-CG 4.17Å; P410-R438 WeakPolarHBondContact O-CD 3.5Å
411Y94.8Very high93.8Very high40 Ų4054.8 Ų54.816%0.15726%0.262CS..THydrogen-bonded Turntrans-94.30-174.846.4-99.1000114.3L258 T328 N409 F437 R438L258-Y411 HydrophobicContact CB-CD1 4.25Å; L258-Y411 HydrophobicContact CB-CG 4.33Å; L258-Y411 HydrophobicContact CD1-CD1 4.32Å; L258-Y411 WeakPolarHBondContact O-CA 3.47Å; L258-Y411 WeakPolarHBondContact O-CB 3.24Å; T328-Y411 HydrophobicContact CG2-CD2 4.38Å; T328-Y411 HydrophobicContact CG2-CE2 4.19Å; N409-Y411 HydrophobicContact CB-CD2 4.4Å; N409-Y411 HydrophobicContact CB-CE1 4.5Å; N409-Y411 HydrophobicContact CB-CE2 4.06Å; N409-Y411 PolarHBondContact O-N 3.1Å; Y411-F437 HydrophobicContact CD2-CD1 4.13Å; Y411-F437 AromaticContact CD2-CE1 3.85Å; Y411-F437 HydrophobicContact CD2-CE1 3.85Å; Y411-F437 HydrophobicContact CE2-CE1 4.44Å; Y411-F437 WeakPolarHBondContact O-CA 3.34Å; Y411-R438 PolarHBondContact O-N 3.27Å
412T95.8Very high93.4Very high5 Ų551.3 Ų51.33%0.03125%0.245CC..EExtended strand (participates in β ladder)trans-130.3141.8177.757.70000113.9N409 S415 L436 F437N409-T412 WeakPolarHBondContact CB-OG1 3.36Å; N409-T412 PolarHBondContact ND2-OG1 2.89Å; N409-T412 PolarHBondContact O-N 3.25Å; T412-S415 PolarHBondContact O-OG 2.85Å; T412-S415 VanDerWaalsContact O-OG 3.1Å; T412-S415 WeakPolarHBondContact OG1-CB 3.44Å; T412-S415 PolarHBondContact OG1-OG 3.33Å; T412-L436 CarbonylContact C-O 3.51Å; T412-L436 WeakPolarHBondContact CA-O 3.47Å; T412-L436 WeakPolarHBondContact CB-O 3.37Å; T412-F437 HydrophobicContact CG2-CD1 3.87Å; T412-F437 HydrophobicContact CG2-CE1 4.29Å
413E93.5Very high92.7Very high121 Ų12154.8 Ų54.857%0.56527%0.269SS*.EExtended strand (participates in β ladder)trans-150.1119.7167.3-173.3166.4-176.300109.8L436 R438E413-L436 PolarHBondContact N-O 3.3Å; E413-R438 HydrophobicContact CB-CG 4.18Å; E413-R438 IonicContact OE2-CZ 2.7Å; E413-R438 VanDerWaalsContact OE2-CZ 3.25Å; E413-R438 IonicContact OE2-NH1 3.71Å; E413-R438 PolarHBondContact OE2-NH1 3.18Å; E413-R438 IonicContact OE2-NH2 3.68Å; E413-R438 PolarHBondContact OE2-NH2 2.75Å
414P96.1Very high91.7Very high59 Ų5950.7 Ų50.738%0.38327%0.274SS..EExtended strand (participates in β ladder)cis-74.2161-6.433.2-39000113.3L383 G435 L436L383-P414 HydrophobicContact CD1-CB 4.44Å; L383-P414 HydrophobicContact CD1-CG 3.61Å; L383-P414 HydrophobicContact CD2-CG 4.39Å; L383-P414 HydrophobicContact CG-CG 4.48Å; P414-G435 WeakPolarHBondContact O-CA 3.33Å; P414-L436 HydrophobicContact CG-CD1 4.24Å; P414-L436 PolarHBondContact O-N 3.18Å
415S96.6Very high90.9Very high12 Ų1253.5 Ų53.58%0.08429%0.29CS..EExtended strand (participates in β ladder)trans-118.7153173.7-33.40000112.1A407 N409 T412 S434A407-S415 PolarHBondContact N-O 3.36Å; A407-S415 VanDerWaalsContact N-O 3.11Å; A407-S415 WeakPolarHBondContact O-CB 3.36Å; N409-S415 PolarHBondContact N-OG 3.44Å; N409-S415 WeakPolarHBondContact ND2-CB 3.12Å; T412-S415 PolarHBondContact O-OG 2.85Å; T412-S415 VanDerWaalsContact O-OG 3.1Å; T412-S415 WeakPolarHBondContact OG1-CB 3.44Å; T412-S415 PolarHBondContact OG1-OG 3.33Å; S415-S434 CarbonylContact C-O 3.58Å; S415-S434 WeakPolarHBondContact CA-O 3.27Å
416M96.6Very high90.4Very high6 Ų656.3 Ų56.33%0.0330%0.303CS..EExtended strand (participates in β ladder)trans-147.2138.6172.673.3-175.676.900112.9L383 L386 K387 F404 K405 N433 S434L383-M416 HydrophobicContact CD1-CE 2.95Å; L383-M416 HydrophobicContact CD2-CE 3.87Å; L383-M416 HydrophobicContact CG-CE 3.32Å; L386-M416 HydrophobicContact CD2-CE 4.05Å; K387-M416 HydrophobicContact CD-CE 4.5Å; K387-M416 HydrophobicContact CD-SD 4.48Å; K387-M416 HydrophobicContact CG-CE 4.04Å; K387-M416 HydrophobicContact CG-SD 3.83Å; F404-M416 HydrophobicContact CB-CG 4.5Å; F404-M416 HydrophobicContact CB-SD 3.77Å; F404-M416 HydrophobicContact CD1-CG 4.16Å; F404-M416 HydrophobicContact CD1-SD 3.3Å; F404-M416 WeakPolarHBondContact CD1-SD 3.4Å; F404-M416 HydrophobicContact CE1-SD 4.02Å; F404-M416 HydrophobicContact CG-SD 3.69Å; K405-M416 CarbonylContact O-C 3.46Å; K405-M416 WeakPolarHBondContact O-CA 2.98Å; K405-M416 WeakPolarHBondContact O-CB 3.13Å; M416-N433 PolarHBondContact O-OD1 3.5Å; M416-S434 WeakPolarHBondContact CG-OG 3.3Å; M416-S434 PolarHBondContact N-O 3.38Å; M416-S434 PolarHBondContact O-N 3.01Å; M416-S434 PolarHBondContact O-OG 3.3Å
417E96Very high90.1Very high37 Ų3756.5 Ų56.517%0.17329%0.292CS..EExtended strand (participates in β ladder)trans-76.3148163.2-76.7162.6-176.300110.5F404 K405 A407 F419F404-E417 WeakPolarHBondContact CA-O 2.96Å; K405-E417 HydrophobicContact CB-CB 4.41Å; K405-E417 WeakPolarHBondContact CD-OE2 3.5Å; K405-E417 PolarHBondContact N-O 3.31Å; K405-E417 IonicContact NZ-OE1 2.79Å; K405-E417 IonicContact NZ-OE2 3.21Å; K405-E417 PolarHBondContact NZ-OE2 3.39Å; K405-E417 PolarHBondContact O-N 3.35Å; A407-E417 HydrophobicContact CB-CB 4.48Å; A407-E417 HydrophobicContact CB-CG 3.8Å; E417-F419 HydrophobicContact CB-CD2 4.19Å; E417-F419 HydrophobicContact CB-CE2 3.55Å; E417-F419 HydrophobicContact CB-CZ 4.38Å; E417-F419 HydrophobicContact CG-CE2 4.44Å; E417-F419 WeakPolarHBondContact OE2-CE2 3.31Å
418I94.5Very high89.9Confident0 Ų059.2 Ų59.20%030%0.296CS..EExtended strand (participates in β ladder)trans-110.5124.1179.4-48.4164.6000107.8I390 F394 L402 F404 I431 G432 W456I390-I418 HydrophobicContact CD1-CD1 3.71Å; I390-I418 HydrophobicContact CD1-CG1 4.14Å; I390-I418 HydrophobicContact CG1-CD1 4.16Å; I390-I418 HydrophobicContact CG2-CD1 3.87Å; I390-I418 HydrophobicContact CG2-CG1 4.34Å; I390-I418 HydrophobicContact CG2-CG2 3.99Å; F394-I418 HydrophobicContact CE2-CD1 4.4Å; F394-I418 HydrophobicContact CE2-CG2 3.99Å; L402-I418 HydrophobicContact CD2-CG2 4.2Å; F404-I418 HydrophobicContact CD1-CG1 4.36Å; F404-I418 HydrophobicContact CE1-CG1 4.35Å; F404-I418 HydrophobicContact CE1-CG2 4.26Å; I418-I431 HydrophobicContact CB-CG1 4.05Å; I418-I431 HydrophobicContact CG2-CD1 3.78Å; I418-I431 HydrophobicContact CG2-CG1 3.75Å; I418-I431 WeakPolarHBondContact O-CG1 3.48Å; I418-I431 PolarHBondContact O-N 3.33Å; I418-G432 PolarHBondContact N-O 3.05Å; I418-G432 PolarHBondContact O-N 2.93Å; I418-W456 HydrophobicContact CD1-CB 4.41Å
419F93Very high89.6Confident39 Ų3953.2 Ų53.217%0.17128%0.276CS..EExtended strand (participates in β ladder)trans-116.3138.5177.2-71.7-97.4000110.6L402 R403 K405 E417 W428 V429 E430L402-F419 CarbonylContact C-O 3.57Å; L402-F419 WeakPolarHBondContact CA-O 3.35Å; R403-F419 HydrophobicContact CB-CB 4.3Å; R403-F419 PolarHBondContact N-O 2.96Å; R403-F419 PolarHBondContact O-N 3.45Å; K405-F419 HydrophobicContact CB-CD2 4.17Å; K405-F419 HydrophobicContact CB-CE2 3.79Å; K405-F419 HydrophobicContact CD-CE2 3.95Å; K405-F419 HydrophobicContact CD-CZ 4.26Å; E417-F419 HydrophobicContact CB-CD2 4.19Å; E417-F419 HydrophobicContact CB-CE2 3.55Å; E417-F419 HydrophobicContact CB-CZ 4.38Å; E417-F419 HydrophobicContact CG-CE2 4.44Å; E417-F419 WeakPolarHBondContact OE2-CE2 3.31Å; F419-W428 HydrophobicContact CB-CE3 4.01Å; F419-W428 HydrophobicContact CD1-CB 4.35Å; F419-V429 WeakPolarHBondContact CA-O 3.38Å; F419-E430 HydrophobicContact CD1-CB 4.2Å; F419-E430 HydrophobicContact CE1-CB 3.8Å; F419-E430 HydrophobicContact CZ-CB 4.11Å; F419-E430 HydrophobicContact CZ-CG 4.36Å
420S89Confident89.5Confident8 Ų855.7 Ų55.76%0.05629%0.287CS..EExtended strand (participates in β ladder)trans-119.2146.9167.8174.90000110.8Q401 V429Q401-S420 WeakPolarHBondContact O-CA 3.38Å; S420-V429 PolarHBondContact N-O 3.01Å; S420-V429 PolarHBondContact O-N 2.78Å
421Y86Confident89.3Confident70 Ų7055.3 Ų55.328%0.27528%0.284SS..EExtended strand (participates in β ladder)trans-79.1123.5173.9-174.3-100.8000110.6Q401 P423 K426 W428Q401-Y421 PolarHBondContact O-N 2.98Å; Q401-Y421 VanDerWaalsContact OE1-CB 3.27Å; Y421-P423 WeakPolarHBondContact O-CD 3.24Å; Y421-K426 WeakPolarHBondContact OH-CA 3.47Å; Y421-W428 HydrophobicContact CD2-CD2 4.31Å; Y421-W428 AromaticContact CD2-CE2 3.99Å; Y421-W428 HydrophobicContact CD2-CG 4.4Å; Y421-W428 HydrophobicContact CD2-CZ2 4.42Å; Y421-W428 AromaticContact CD2-NE1 3.89Å
422H81.3Confident89.1Confident32 Ų3253.5 Ų53.515%0.14828%0.278CS..EExtended strand (participates in β ladder)trans-90.7114.6177.1-172.2-45.1000110G424 L425 K426 K427 V429H422-G424 WeakPolarHBondContact ND1-CA 3.41Å; H422-G424 PolarHBondContact ND1-N 2.88Å; H422-G424 PolarHBondContact O-N 3.35Å; H422-L425 HydrophobicContact CB-CB 4.17Å; H422-L425 PolarHBondContact ND1-N 3.15Å; H422-L425 PolarHBondContact O-N 2.99Å; H422-K426 WeakPolarHBondContact O-CA 3.2Å; H422-K426 PolarHBondContact O-N 3.41Å; H422-K427 PolarHBondContact N-O 2.97Å; H422-V429 HydrophobicContact CB-CG2 3.98Å
423P76.4Confident89.1Confident96 Ų9655.4 Ų55.462%0.62329%0.288SS*.THydrogen-bonded Turntrans-64.1-41.8-176.823-32.2000112.8Y421Y421-P423 WeakPolarHBondContact O-CD 3.24Å
424G74.5Confident89.3Confident64 Ų6449.8 Ų49.866%0.6626%0.262SS*.THydrogen-bonded Turntrans-64.2-42.7176.200000115.5H422H422-G424 WeakPolarHBondContact ND1-CA 3.41Å; H422-G424 PolarHBondContact ND1-N 2.88Å; H422-G424 PolarHBondContact O-N 3.35Å
425L78.8Confident89.3Confident101 Ų10147 Ų4753%0.52925%0.245SC..THydrogen-bonded Turntrans-88.6-7.6179.8-61.7175.4000113.7H422 K427H422-L425 HydrophobicContact CB-CB 4.17Å; H422-L425 PolarHBondContact ND1-N 3.15Å; H422-L425 PolarHBondContact O-N 2.99Å; L425-K427 HydrophobicContact CB-CD 4.29Å; L425-K427 HydrophobicContact CB-CG 3.86Å; L425-K427 PolarHBondContact O-N 3.31Å; L425-K427 VanDerWaalsContact O-N 3.16Å
426K85.6Confident89.4Confident165 Ų16547.6 Ų47.672%0.71725%0.246SC*.THydrogen-bonded Turntrans49.136.4-176.1-59-176.4-179.6-179.80114.2Y421 H422Y421-K426 WeakPolarHBondContact OH-CA 3.47Å; H422-K426 WeakPolarHBondContact O-CA 3.2Å; H422-K426 PolarHBondContact O-N 3.41Å
427K89.8Confident89.4Confident118 Ų11847.8 Ų47.851%0.51325%0.247SC..EExtended strand (participates in β ladder)trans-140.8157.3-179.369-178.3-178.5174.50111.8H422 L425 V429H422-K427 PolarHBondContact N-O 2.97Å; L425-K427 HydrophobicContact CB-CD 4.29Å; L425-K427 HydrophobicContact CB-CG 3.86Å; L425-K427 PolarHBondContact O-N 3.31Å; L425-K427 VanDerWaalsContact O-N 3.16Å; K427-V429 HydrophobicContact CG-CG2 4.02Å
428W90.2Very high89.4Confident85 Ų8548.1 Ų48.132%0.32225%0.247SC..EExtended strand (participates in β ladder)trans-75.7129.4169.6-68.389.9000109.4Q401 R403 F419 Y421Q401-W428 HydrophobicContact CB-CH2 4.23Å; Q401-W428 WeakPolarHBondContact O-CZ3 3.2Å; R403-W428 HydrophobicContact CB-CE3 4.11Å; R403-W428 HydrophobicContact CB-CH2 4.34Å; R403-W428 HydrophobicContact CB-CZ3 3.84Å; R403-W428 HydrophobicContact CG-CE3 4.1Å; R403-W428 HydrophobicContact CG-CH2 3.55Å; R403-W428 HydrophobicContact CG-CZ2 4.05Å; R403-W428 HydrophobicContact CG-CZ3 3.57Å; F419-W428 HydrophobicContact CB-CE3 4.01Å; F419-W428 HydrophobicContact CD1-CB 4.35Å; Y421-W428 HydrophobicContact CD2-CD2 4.31Å; Y421-W428 AromaticContact CD2-CE2 3.99Å; Y421-W428 HydrophobicContact CD2-CG 4.4Å; Y421-W428 HydrophobicContact CD2-CZ2 4.42Å; Y421-W428 AromaticContact CD2-NE1 3.89Å
429V87Confident89.5Confident35 Ų3551.1 Ų51.121%0.21227%0.266CS..EExtended strand (participates in β ladder)trans-121.1136.2-179.5-177.50000108.5F419 S420 H422 K427 I431F419-V429 WeakPolarHBondContact CA-O 3.38Å; S420-V429 PolarHBondContact N-O 3.01Å; S420-V429 PolarHBondContact O-N 2.78Å; H422-V429 HydrophobicContact CB-CG2 3.98Å; K427-V429 HydrophobicContact CG-CG2 4.02Å; V429-I431 PolarHBondContact O-N 3.02Å
430E90.5Very high89.6Confident66 Ų6650 Ų5031%0.30826%0.262SS..EExtended strand (participates in β ladder)trans-70.5120.1174-173.3-150.4119.700109.7F419 R462F419-E430 HydrophobicContact CD1-CB 4.2Å; F419-E430 HydrophobicContact CE1-CB 3.8Å; F419-E430 HydrophobicContact CZ-CB 4.11Å; F419-E430 HydrophobicContact CZ-CG 4.36Å; E430-R462 PolarHBondContact O-NH1 3.25Å; E430-R462 VanDerWaalsContact O-NH1 3.15Å; E430-R462 IonicContact OE1-CZ 3.08Å; E430-R462 IonicContact OE1-NH1 2.72Å; E430-R462 PolarHBondContact OE1-NH1 3.45Å; E430-R462 IonicContact OE1-NH2 3.51Å
431I88.8Confident89.9Confident2 Ų249.7 Ų49.71%0.0126%0.259CS..EExtended strand (participates in β ladder)trans-109.1-10.9-178.166.8-173.3000112.7F394 L402 I418 V429 L458F394-I431 HydrophobicContact CD1-CD1 3.94Å; F394-I431 HydrophobicContact CD2-CD1 4.22Å; F394-I431 HydrophobicContact CE1-CD1 3.38Å; F394-I431 HydrophobicContact CE1-CG1 4.11Å; F394-I431 HydrophobicContact CE2-CD1 3.7Å; F394-I431 HydrophobicContact CE2-CG1 4.24Å; F394-I431 HydrophobicContact CG-CD1 4.33Å; F394-I431 HydrophobicContact CZ-CB 4.4Å; F394-I431 HydrophobicContact CZ-CD1 3.24Å; F394-I431 HydrophobicContact CZ-CG1 3.63Å; L402-I431 HydrophobicContact CD2-CD1 3.63Å; I418-I431 HydrophobicContact CB-CG1 4.05Å; I418-I431 HydrophobicContact CG2-CD1 3.78Å; I418-I431 HydrophobicContact CG2-CG1 3.75Å; I418-I431 WeakPolarHBondContact O-CG1 3.48Å; I418-I431 PolarHBondContact O-N 3.33Å; V429-I431 PolarHBondContact O-N 3.02Å; I431-L458 WeakPolarHBondContact O-CB 3.49Å
432G92.3Very high90.4Very high3 Ų346.7 Ų46.73%0.03125%0.248CC..EExtended strand (participates in β ladder)trans176.9177-179.700000113.4I418 G457I418-G432 PolarHBondContact N-O 3.05Å; I418-G432 PolarHBondContact O-N 2.93Å; G432-G457 CarbonylContact C-O 3.55Å; G432-G457 VanDerWaalsContact CA-O 3.22Å; G432-G457 WeakPolarHBondContact CA-O 3.44Å
433N95Very high91.1Very high44 Ų4447.8 Ų47.824%0.23525%0.251CS..EExtended strand (participates in β ladder)trans-133155179-167.8-27.6000108.9N409 M416 W456 G457N409-N433 PolarHBondContact ND2-OD1 2.84Å; N409-N433 PolarHBondContact OD1-ND2 2.98Å; N409-N433 PolarHBondContact OD1-OD1 3.02Å; M416-N433 PolarHBondContact O-OD1 3.5Å; N433-W456 CarbonylContact O-C 3.39Å; N433-W456 WeakPolarHBondContact O-CA 3.08Å; N433-G457 PolarHBondContact N-O 3.33Å; N433-G457 PolarHBondContact O-N 3.08Å; N433-G457 VanDerWaalsContact O-O 3.09Å
434S97.2Very high92Very high4 Ų443.3 Ų43.33%0.02822%0.222CC..EExtended strand (participates in β ladder)trans-159.2165.5-174.461.80000112S415 M416 A455 W456S415-S434 CarbonylContact C-O 3.58Å; S415-S434 WeakPolarHBondContact CA-O 3.27Å; M416-S434 WeakPolarHBondContact CG-OG 3.3Å; M416-S434 PolarHBondContact N-O 3.38Å; M416-S434 PolarHBondContact O-N 3.01Å; M416-S434 PolarHBondContact O-OG 3.3Å; S434-A455 CarbonylContact C-O 3.59Å; S434-A455 VanDerWaalsContact CA-O 3.27Å; S434-A455 WeakPolarHBondContact CA-O 3.42Å; S434-A455 VanDerWaalsContact CB-O 3.28Å; S434-A455 WeakPolarHBondContact CB-O 3.36Å; S434-W456 VanDerWaalsContact CB-CB 3.5Å
435G97.3Very high93Very high1 Ų140.7 Ų40.71%0.0119%0.192CC..EExtended strand (participates in β ladder)trans179.6-176.7173.700000113.3P414 A455P414-G435 WeakPolarHBondContact O-CA 3.33Å; G435-A455 PolarHBondContact N-O 3.37Å; G435-A455 PolarHBondContact O-N 3.36Å
436L97.5Very high93.6Very high23 Ų2338 Ų3812%0.1219%0.189CC..EExtended strand (participates in β ladder)trans-98.9125.6171.1-80.470.5000108.5L383 L386 T412 E413 P414 R438 V453 I454L383-L436 HydrophobicContact CD1-CD1 3.76Å; L386-L436 HydrophobicContact CD2-CD1 4.12Å; T412-L436 CarbonylContact C-O 3.51Å; T412-L436 WeakPolarHBondContact CA-O 3.47Å; T412-L436 WeakPolarHBondContact CB-O 3.37Å; E413-L436 PolarHBondContact N-O 3.3Å; P414-L436 HydrophobicContact CG-CD1 4.24Å; P414-L436 PolarHBondContact O-N 3.18Å; L436-R438 PolarHBondContact O-N 3.44Å; L436-V453 CarbonylContact C-O 3.51Å; L436-V453 WeakPolarHBondContact CA-O 3.23Å; L436-I454 HydrophobicContact CD1-CG2 3.92Å; L436-I454 HydrophobicContact CG-CG2 3.78Å
437F97.5Very high94Very high10 Ų1030.5 Ų30.54%0.04416%0.157CC..EExtended strand (participates in β ladder)trans-60.8136.9178-71.8-47.2000111.2T328 L335 Y411 T412 M441 L442 V453 A455T328-F437 HydrophobicContact CG2-CE1 3.89Å; T328-F437 HydrophobicContact CG2-CZ 3.96Å; L335-F437 HydrophobicContact CD1-CD2 3.83Å; L335-F437 HydrophobicContact CD1-CE2 3.83Å; Y411-F437 HydrophobicContact CD2-CD1 4.13Å; Y411-F437 AromaticContact CD2-CE1 3.85Å; Y411-F437 HydrophobicContact CD2-CE1 3.85Å; Y411-F437 HydrophobicContact CE2-CE1 4.44Å; Y411-F437 WeakPolarHBondContact O-CA 3.34Å; T412-F437 HydrophobicContact CG2-CD1 3.87Å; T412-F437 HydrophobicContact CG2-CE1 4.29Å; F437-M441 HydrophobicContact CB-SD 3.92Å; F437-M441 HydrophobicContact CD1-CE 3.96Å; F437-M441 HydrophobicContact CD1-SD 3.47Å; F437-M441 WeakPolarHBondContact CD1-SD 3.45Å; F437-M441 HydrophobicContact CD2-CE 4.03Å; F437-M441 HydrophobicContact CD2-SD 4.34Å; F437-M441 HydrophobicContact CE1-CE 4.08Å; F437-M441 HydrophobicContact CE1-SD 4.05Å; F437-M441 HydrophobicContact CE2-CE 4.16Å; F437-M441 HydrophobicContact CG-CE 3.97Å; F437-M441 HydrophobicContact CG-SD 3.68Å; F437-M441 HydrophobicContact CZ-CE 4.19Å; F437-L442 HydrophobicContact CB-CD1 4.05Å; F437-L442 HydrophobicContact CB-CD2 3.93Å; F437-L442 HydrophobicContact CB-CG 4Å; F437-L442 HydrophobicContact CD2-CD2 4.37Å; F437-V453 HydrophobicContact CB-CB 4.37Å; F437-V453 HydrophobicContact CD2-CB 3.76Å; F437-V453 HydrophobicContact CD2-CG1 3.46Å; F437-V453 VanDerWaalsContact CD2-CG1 3.46Å; F437-V453 HydrophobicContact CE2-CG1 3.87Å; F437-V453 PolarHBondContact N-O 3.05Å; F437-A455 HydrophobicContact CD2-CB 4.39Å; F437-A455 HydrophobicContact CE1-CB 4.17Å; F437-A455 HydrophobicContact CE2-CB 3.65Å; F437-A455 HydrophobicContact CZ-CB 3.51Å
438R96.3Very high94.1Very high44 Ų4426.8 Ų26.817%0.16615%0.145CC..PPolyproline II helixtrans-62.4143.5-178.2-76.6-168.778.491.512.5112P410 Y411 E413 L436 E440 M441 L442P410-R438 WeakPolarHBondContact O-CD 3.5Å; Y411-R438 PolarHBondContact O-N 3.27Å; E413-R438 HydrophobicContact CB-CG 4.18Å; E413-R438 IonicContact OE2-CZ 2.7Å; E413-R438 VanDerWaalsContact OE2-CZ 3.25Å; E413-R438 IonicContact OE2-NH1 3.71Å; E413-R438 PolarHBondContact OE2-NH1 3.18Å; E413-R438 IonicContact OE2-NH2 3.68Å; E413-R438 PolarHBondContact OE2-NH2 2.75Å; L436-R438 PolarHBondContact O-N 3.44Å; R438-E440 WeakPolarHBondContact CB-OE2 3.49Å; R438-E440 IonicContact CZ-OE1 2.88Å; R438-E440 IonicContact CZ-OE2 2.6Å; R438-E440 IonicContact NE-OE1 3.85Å; R438-E440 PolarHBondContact NE-OE1 2.87Å; R438-E440 IonicContact NE-OE2 3.9Å; R438-E440 PolarHBondContact NE-OE2 3.49Å; R438-E440 IonicContact NH2-OE1 3.82Å; R438-E440 PolarHBondContact NH2-OE1 2.8Å; R438-E440 IonicContact NH2-OE2 3.25Å; R438-E440 PolarHBondContact O-N 2.82Å; R438-M441 WeakPolarHBondContact O-CB 3.2Å; R438-M441 PolarHBondContact O-N 3.49Å; R438-L442 PolarHBondContact O-N 2.85Å; R438-L442 VanDerWaalsContact O-N 3.17Å
439P95.3Very high94.1Very high64 Ų6430.9 Ų30.942%0.41617%0.167SC..Hα-helixtrans-55.1-34.4171.3-25.234.6000112.9M441 L442 R443P439-M441 PolarHBondContact O-N 3.36Å; P439-L442 PolarHBondContact O-N 2.81Å; P439-R443 HydrophobicContact CB-CG 4.22Å; P439-R443 WeakPolarHBondContact O-CB 3.49Å; P439-R443 WeakPolarHBondContact O-CG 3.43Å; P439-R443 PolarHBondContact O-N 3.15Å
440E95.6Very high94.2Very high15 Ų1531.3 Ų31.37%0.0718%0.179CC..Hα-helixtrans-63.9-24.7177.7-60.895.2145.500113.5F259 V298 S306 R438 P444F259-E440 HydrophobicContact CB-CB 4.34Å; F259-E440 HydrophobicContact CD1-CB 3.66Å; F259-E440 HydrophobicContact CD1-CG 4.29Å; F259-E440 HydrophobicContact CD2-CB 3.65Å; F259-E440 HydrophobicContact CE1-CB 3.72Å; F259-E440 HydrophobicContact CE1-CG 3.86Å; F259-E440 HydrophobicContact CE2-CB 3.74Å; F259-E440 HydrophobicContact CE2-CG 4.17Å; F259-E440 HydrophobicContact CG-CB 3.6Å; F259-E440 HydrophobicContact CZ-CB 3.76Å; F259-E440 HydrophobicContact CZ-CG 3.78Å; V298-E440 HydrophobicContact CG1-CB 3.75Å; V298-E440 HydrophobicContact CG1-CG 4.11Å; S306-E440 WeakPolarHBondContact CB-OE1 3.48Å; S306-E440 WeakPolarHBondContact OG-CG 3.49Å; S306-E440 PolarHBondContact OG-OE1 3.25Å; R438-E440 WeakPolarHBondContact CB-OE2 3.49Å; R438-E440 IonicContact CZ-OE1 2.88Å; R438-E440 IonicContact CZ-OE2 2.6Å; R438-E440 IonicContact NE-OE1 3.85Å; R438-E440 PolarHBondContact NE-OE1 2.87Å; R438-E440 IonicContact NE-OE2 3.9Å; R438-E440 PolarHBondContact NE-OE2 3.49Å; R438-E440 IonicContact NH2-OE1 3.82Å; R438-E440 PolarHBondContact NH2-OE1 2.8Å; R438-E440 IonicContact NH2-OE2 3.25Å; R438-E440 PolarHBondContact O-N 2.82Å; E440-P444 WeakPolarHBondContact O-CD 3.38Å; E440-P444 WeakPolarHBondContact O-CG 3.47Å
441M95.9Very high94.4Very high2 Ų228.5 Ų28.51%0.0117%0.166CC..Hα-helixtrans-82-47.5170.9168.7-175.9169.500110.9S257 L258 F259 A332 L335 F437 R438 P439 M445S257-M441 WeakPolarHBondContact O-CG 3.44Å; L258-M441 HydrophobicContact CD2-CE 3.44Å; L258-M441 VanDerWaalsContact CD2-CE 3.44Å; L258-M441 HydrophobicContact CD2-SD 3.86Å; F259-M441 HydrophobicContact CB-CB 4.26Å; A332-M441 HydrophobicContact CB-CE 4.32Å; L335-M441 HydrophobicContact CD1-CE 3.95Å; F437-M441 HydrophobicContact CB-SD 3.92Å; F437-M441 HydrophobicContact CD1-CE 3.96Å; F437-M441 HydrophobicContact CD1-SD 3.47Å; F437-M441 WeakPolarHBondContact CD1-SD 3.45Å; F437-M441 HydrophobicContact CD2-CE 4.03Å; F437-M441 HydrophobicContact CD2-SD 4.34Å; F437-M441 HydrophobicContact CE1-CE 4.08Å; F437-M441 HydrophobicContact CE1-SD 4.05Å; F437-M441 HydrophobicContact CE2-CE 4.16Å; F437-M441 HydrophobicContact CG-CE 3.97Å; F437-M441 HydrophobicContact CG-SD 3.68Å; F437-M441 HydrophobicContact CZ-CE 4.19Å; R438-M441 WeakPolarHBondContact O-CB 3.2Å; R438-M441 PolarHBondContact O-N 3.49Å; P439-M441 PolarHBondContact O-N 3.36Å; M441-M445 HydrophobicContact CE-CE 3.96Å; M441-M445 HydrophobicContact CG-CE 3.9Å
442L96.4Very high94.7Very high7 Ų730 Ų304%0.03718%0.177CC..Hα-helixtrans-78-39.2-169.1-60.6177000113.8L335 F437 R438 P439 M445 L447 V453L335-L442 HydrophobicContact CD1-CD2 3.94Å; F437-L442 HydrophobicContact CB-CD1 4.05Å; F437-L442 HydrophobicContact CB-CD2 3.93Å; F437-L442 HydrophobicContact CB-CG 4Å; F437-L442 HydrophobicContact CD2-CD2 4.37Å; R438-L442 PolarHBondContact O-N 2.85Å; R438-L442 VanDerWaalsContact O-N 3.17Å; P439-L442 PolarHBondContact O-N 2.81Å; L442-M445 WeakPolarHBondContact O-CB 3.37Å; L442-M445 PolarHBondContact O-N 2.9Å; L442-L447 HydrophobicContact CB-CD1 4.02Å; L442-L447 HydrophobicContact CD2-CD1 3.79Å; L442-L447 HydrophobicContact CG-CD1 4.46Å; L442-V453 HydrophobicContact CD1-CB 4.12Å; L442-V453 HydrophobicContact CD1-CG2 3.8Å; L442-V453 HydrophobicContact CD2-CB 4.28Å; L442-V453 HydrophobicContact CD2-CG2 3.82Å; L442-V453 HydrophobicContact CG-CG2 4.49Å
443R94.9Very high95Very high54 Ų5430 Ų3020%0.20418%0.176CC..THydrogen-bonded Turntrans-68.3-43.3-173.1-65.4-80.6177.6-120.8-4.6113.1F304 P439 M445 G446 L447 P448 E449 G450F304-R443 HydrophobicContact CB-CB 4.2Å; F304-R443 HydrophobicContact CB-CG 4.14Å; F304-R443 HydrophobicContact CD1-CB 3.65Å; F304-R443 HydrophobicContact CD1-CG 4.1Å; F304-R443 HydrophobicContact CD2-CB 3.52Å; F304-R443 HydrophobicContact CD2-CG 4.38Å; F304-R443 HydrophobicContact CE1-CB 3.82Å; F304-R443 HydrophobicContact CE2-CB 3.7Å; F304-R443 HydrophobicContact CG-CB 3.49Å; F304-R443 VanDerWaalsContact CG-CB 3.49Å; F304-R443 HydrophobicContact CG-CG 3.94Å; F304-R443 HydrophobicContact CZ-CB 3.85Å; P439-R443 HydrophobicContact CB-CG 4.22Å; P439-R443 WeakPolarHBondContact O-CB 3.49Å; P439-R443 WeakPolarHBondContact O-CG 3.43Å; P439-R443 PolarHBondContact O-N 3.15Å; R443-M445 PolarHBondContact O-N 3.41Å; R443-G446 PolarHBondContact O-N 3.47Å; R443-L447 PolarHBondContact NH1-O 2.99Å; R443-P448 VanDerWaalsContact NH1-C 3.28Å; R443-P448 PolarHBondContact NH1-O 3.28Å; R443-E449 VanDerWaalsContact NH1-CA 3.26Å; R443-G450 VanDerWaalsContact NH2-N 3.19Å
444P95.4Very high95.1Very high3 Ų327.9 Ų27.92%0.01917%0.165CC..THydrogen-bonded Turntrans-55.1-33.3174.1-28.136.1000114Y291 K294 V295 V298 F304 E440 G446Y291-P444 HydrophobicContact CD2-CB 4.21Å; Y291-P444 WeakPolarHBondContact CD2-O 3.41Å; Y291-P444 HydrophobicContact CE2-CB 3.89Å; K294-P444 HydrophobicContact CB-CB 3.92Å; K294-P444 VanDerWaalsContact CD-O 3.26Å; K294-P444 WeakPolarHBondContact CD-O 3.34Å; V295-P444 HydrophobicContact CG2-CB 4.17Å; V298-P444 HydrophobicContact CB-CG 4.3Å; V298-P444 HydrophobicContact CG2-CG 3.74Å; F304-P444 HydrophobicContact CD2-CG 4.41Å; F304-P444 HydrophobicContact CE2-CG 3.82Å; E440-P444 WeakPolarHBondContact O-CD 3.38Å; E440-P444 WeakPolarHBondContact O-CG 3.47Å; P444-G446 PolarHBondContact O-N 3.18Å
445M95.5Very high95.1Very high8 Ų828 Ų284%0.03917%0.166CC..THydrogen-bonded Turntrans-66.2-17179.5-61176.5-17800113.3Y291 A332 L335 H336 S339 M441 L442 R443 L447Y291-M445 HydrophobicContact CE2-CB 4.23Å; Y291-M445 HydrophobicContact CE2-CG 3.61Å; Y291-M445 VanDerWaalsContact OH-CE 3.32Å; Y291-M445 WeakPolarHBondContact OH-CE 3.37Å; Y291-M445 WeakPolarHBondContact OH-CG 3.37Å; A332-M445 HydrophobicContact CB-CE 4.11Å; L335-M445 HydrophobicContact CB-SD 3.83Å; H336-M445 HydrophobicContact CB-CG 4.36Å; H336-M445 HydrophobicContact CB-SD 4.36Å; S339-M445 VanDerWaalsContact CB-O 3.22Å; S339-M445 WeakPolarHBondContact CB-O 3.43Å; S339-M445 PolarHBondContact OG-O 3.07Å; M441-M445 HydrophobicContact CE-CE 3.96Å; M441-M445 HydrophobicContact CG-CE 3.9Å; L442-M445 WeakPolarHBondContact O-CB 3.37Å; L442-M445 PolarHBondContact O-N 2.9Å; R443-M445 PolarHBondContact O-N 3.41Å; M445-L447 HydrophobicContact CB-CG 4.42Å; M445-L447 HydrophobicContact SD-CD1 4.3Å
446G92.8Very high95.1Very high44 Ų4428.2 Ų28.245%0.45417%0.167SC..THydrogen-bonded Turntrans89.817.5-17600000114.6R443 P444R443-G446 PolarHBondContact O-N 3.47Å; P444-G446 PolarHBondContact O-N 3.18Å
447L93.9Very high95Very high8 Ų827.9 Ų27.94%0.04217%0.169CC..PPolyproline II helixtrans-69144.7175.3-70.4167.2000111.7L335 F344 L442 R443 M445 L451L335-L447 HydrophobicContact CB-CD1 4.38Å; F344-L447 HydrophobicContact CD2-CD2 4.41Å; F344-L447 HydrophobicContact CE2-CD2 3.88Å; L442-L447 HydrophobicContact CB-CD1 4.02Å; L442-L447 HydrophobicContact CD2-CD1 3.79Å; L442-L447 HydrophobicContact CG-CD1 4.46Å; R443-L447 PolarHBondContact NH1-O 2.99Å; M445-L447 HydrophobicContact CB-CG 4.42Å; M445-L447 HydrophobicContact SD-CD1 4.3Å; L447-L451 HydrophobicContact CB-CD2 3.85Å; L447-L451 HydrophobicContact CD1-CD2 4.03Å; L447-L451 HydrophobicContact CD2-CD2 3.75Å; L447-L451 HydrophobicContact CG-CD2 4.09Å
448P92Very high94.9Very high41 Ų4127.7 Ų27.727%0.26617%0.168SC..PPolyproline II helixtrans-61.7148.9-172.222.4-32.3000113.4F344 F379 R443 L451F344-P448 HydrophobicContact CB-CG 4.09Å; F344-P448 HydrophobicContact CD1-CG 4.07Å; F344-P448 HydrophobicContact CD2-CG 3.9Å; F344-P448 HydrophobicContact CE2-CG 4.38Å; F344-P448 HydrophobicContact CG-CG 3.73Å; F379-P448 HydrophobicContact CE1-CB 4.29Å; F379-P448 HydrophobicContact CE1-CG 4.09Å; F379-P448 HydrophobicContact CZ-CB 4.33Å; F379-P448 HydrophobicContact CZ-CG 3.87Å; R443-P448 VanDerWaalsContact NH1-C 3.28Å; R443-P448 PolarHBondContact NH1-O 3.28Å; P448-L451 HydrophobicContact CG-CB 4.2Å; P448-L451 VanDerWaalsContact O-CB 3.25Å; P448-L451 WeakPolarHBondContact O-CB 3.35Å; P448-L451 PolarHBondContact O-N 2.92Å
449E88.2Confident94.6Very high170 Ų17026.3 Ų26.379%0.79417%0.165SC*.THydrogen-bonded Turntrans-56.2141.4172.7-68.8-166174.100112R443 L451R443-E449 VanDerWaalsContact NH1-CA 3.26Å; E449-L451 PolarHBondContact O-N 3.13Å
450G89.7Confident94.4Very high44 Ų4423.3 Ų23.345%0.45415%0.146SC..THydrogen-bonded Turntrans78.5-11.9-173.800000116.4R443 S452R443-G450 VanDerWaalsContact NH2-N 3.19Å; G450-S452 PolarHBondContact O-N 2.98Å
451L94Very high94.2Very high8 Ų822.6 Ų22.64%0.04214%0.143CC..EExtended strand (participates in β ladder)trans-63.3133.7172.8-171.572.5000110.5F344 F379 L447 P448 E449 V453F344-L451 HydrophobicContact CE1-CD1 3.47Å; F344-L451 VanDerWaalsContact CE1-CD1 3.47Å; F344-L451 HydrophobicContact CE1-CD2 4.43Å; F344-L451 HydrophobicContact CE2-CD1 4.28Å; F344-L451 HydrophobicContact CE2-CD2 3.74Å; F344-L451 HydrophobicContact CZ-CD1 3.33Å; F344-L451 HydrophobicContact CZ-CD2 3.58Å; F344-L451 HydrophobicContact CZ-CG 4.1Å; F379-L451 HydrophobicContact CD1-CB 4.48Å; F379-L451 HydrophobicContact CE1-CB 4.22Å; F379-L451 HydrophobicContact CE1-CD1 4.39Å; F379-L451 HydrophobicContact CZ-CD1 4.4Å; L447-L451 HydrophobicContact CB-CD2 3.85Å; L447-L451 HydrophobicContact CD1-CD2 4.03Å; L447-L451 HydrophobicContact CD2-CD2 3.75Å; L447-L451 HydrophobicContact CG-CD2 4.09Å; P448-L451 HydrophobicContact CG-CB 4.2Å; P448-L451 VanDerWaalsContact O-CB 3.25Å; P448-L451 WeakPolarHBondContact O-CB 3.35Å; P448-L451 PolarHBondContact O-N 2.92Å; E449-L451 PolarHBondContact O-N 3.13Å; L451-V453 HydrophobicContact CD2-CG2 4.32Å; L451-V453 HydrophobicContact CG-CG2 4.49Å
452S96.1Very high93.5Very high34 Ų3426.6 Ų26.624%0.23816%0.158CC..EExtended strand (participates in β ladder)trans-120.3148.4171.6-62.10000108.6D378 L381 G450D378-S452 PolarHBondContact N-O 3.04Å; D378-S452 VanDerWaalsContact N-O 3.14Å; D378-S452 PolarHBondContact O-N 3.5Å; L381-S452 WeakPolarHBondContact CD1-O 3.34Å; G450-S452 PolarHBondContact O-N 2.98Å
453V97.7Very high92.9Very high1 Ų127 Ų271%0.00616%0.16CC..EExtended strand (participates in β ladder)trans-129.2119.6176.4-173.80000108.7L335 L375 V376 A377 L436 F437 L442 L451L335-V453 HydrophobicContact CD1-CG1 4.29Å; L335-V453 HydrophobicContact CD2-CG1 4.23Å; L335-V453 HydrophobicContact CD2-CG2 4.03Å; L375-V453 HydrophobicContact CB-CG1 4.31Å; L375-V453 HydrophobicContact CD1-CG1 4.17Å; V376-V453 VanDerWaalsContact O-CA 3.32Å; V376-V453 WeakPolarHBondContact O-CA 3.4Å; A377-V453 HydrophobicContact CB-CG1 4.3Å; A377-V453 HydrophobicContact CB-CG2 3.79Å; L436-V453 CarbonylContact C-O 3.51Å; L436-V453 WeakPolarHBondContact CA-O 3.23Å; F437-V453 HydrophobicContact CB-CB 4.37Å; F437-V453 HydrophobicContact CD2-CB 3.76Å; F437-V453 HydrophobicContact CD2-CG1 3.46Å; F437-V453 VanDerWaalsContact CD2-CG1 3.46Å; F437-V453 HydrophobicContact CE2-CG1 3.87Å; F437-V453 PolarHBondContact N-O 3.05Å; L442-V453 HydrophobicContact CD1-CB 4.12Å; L442-V453 HydrophobicContact CD1-CG2 3.8Å; L442-V453 HydrophobicContact CD2-CB 4.28Å; L442-V453 HydrophobicContact CD2-CG2 3.82Å; L442-V453 HydrophobicContact CG-CG2 4.49Å; L451-V453 HydrophobicContact CD2-CG2 4.32Å; L451-V453 HydrophobicContact CG-CG2 4.49Å
454I98.1Very high92.5Very high1 Ų124.4 Ų24.41%0.00515%0.151CC..EExtended strand (participates in β ladder)trans-96.3139.2172.260.3177.4000108.3L375 V376 L381 H385 L386 V389 L436L375-I454 CarbonylContact C-O 3.46Å; L375-I454 WeakPolarHBondContact CA-O 3.4Å; V376-I454 HydrophobicContact CB-CD1 3.99Å; V376-I454 HydrophobicContact CB-CG1 3.69Å; V376-I454 HydrophobicContact CG2-CD1 4.2Å; V376-I454 HydrophobicContact CG2-CG1 4.19Å; V376-I454 PolarHBondContact N-O 3.4Å; V376-I454 PolarHBondContact O-N 3.07Å; L381-I454 HydrophobicContact CB-CG2 4.01Å; L381-I454 HydrophobicContact CD1-CD1 4.44Å; L381-I454 HydrophobicContact CD1-CG1 4.1Å; L381-I454 HydrophobicContact CD2-CD1 4.37Å; H385-I454 HydrophobicContact CB-CD1 4.28Å; L386-I454 HydrophobicContact CB-CB 4.09Å; L386-I454 HydrophobicContact CB-CD1 4.28Å; L386-I454 HydrophobicContact CB-CG2 3.99Å; L386-I454 HydrophobicContact CD1-CB 4.03Å; L386-I454 HydrophobicContact CG-CB 4.46Å; V389-I454 HydrophobicContact CG2-CD1 4.25Å; L436-I454 HydrophobicContact CD1-CG2 3.92Å; L436-I454 HydrophobicContact CG-CG2 3.78Å
455A98Very high91.9Very high7 Ų725.5 Ų25.56%0.05816%0.156CC..EExtended strand (participates in β ladder)trans-141.6154.4177.600000111.5G374 L375 S434 G435 F437G374-A455 CarbonylContact O-C 3.56Å; G374-A455 VanDerWaalsContact O-CA 3.24Å; G374-A455 WeakPolarHBondContact O-CA 3.43Å; L375-A455 HydrophobicContact CB-CB 3.89Å; S434-A455 CarbonylContact C-O 3.59Å; S434-A455 VanDerWaalsContact CA-O 3.27Å; S434-A455 WeakPolarHBondContact CA-O 3.42Å; S434-A455 VanDerWaalsContact CB-O 3.28Å; S434-A455 WeakPolarHBondContact CB-O 3.36Å; G435-A455 PolarHBondContact N-O 3.37Å; G435-A455 PolarHBondContact O-N 3.36Å; F437-A455 HydrophobicContact CD2-CB 4.39Å; F437-A455 HydrophobicContact CE1-CB 4.17Å; F437-A455 HydrophobicContact CE2-CB 3.65Å; F437-A455 HydrophobicContact CZ-CB 3.51Å
456W97.5Very high91.2Very high4 Ų427.4 Ų27.42%0.01517%0.166CC..EExtended strand (participates in β ladder)trans-145148.1172.271.196.7000110.6L234 F239 E373 G374 V376 L386 V389 I390 I418 N433 S434L234-W456 HydrophobicContact CD2-CZ2 3.99Å; F239-W456 HydrophobicContact CD1-CH2 4.29Å; F239-W456 AromaticContact CE1-CH2 3.35Å; F239-W456 HydrophobicContact CE1-CH2 3.35Å; F239-W456 HydrophobicContact CE1-CZ2 4.27Å; F239-W456 HydrophobicContact CE1-CZ3 4.01Å; F239-W456 HydrophobicContact CE2-CH2 4.28Å; F239-W456 AromaticContact CZ-CH2 3.38Å; F239-W456 HydrophobicContact CZ-CH2 3.38Å; F239-W456 HydrophobicContact CZ-CZ2 4.36Å; F239-W456 HydrophobicContact CZ-CZ3 4.11Å; E373-W456 WeakPolarHBondContact CA-O 3.25Å; E373-W456 WeakPolarHBondContact CG-O 3.44Å; G374-W456 PolarHBondContact N-O 3.38Å; G374-W456 PolarHBondContact O-N 2.97Å; V376-W456 HydrophobicContact CG2-CZ3 4.31Å; L386-W456 HydrophobicContact CD1-CB 4.46Å; L386-W456 HydrophobicContact CD1-CE3 4.2Å; V389-W456 HydrophobicContact CG1-CE3 4.26Å; V389-W456 HydrophobicContact CG1-CH2 3.33Å; V389-W456 HydrophobicContact CG1-CZ2 4Å; V389-W456 HydrophobicContact CG1-CZ3 3.5Å; I390-W456 HydrophobicContact CD1-CB 4.22Å; I390-W456 HydrophobicContact CG1-CB 4.21Å; I390-W456 HydrophobicContact CG1-CD2 4.44Å; I390-W456 HydrophobicContact CG1-CG 4.15Å; I418-W456 HydrophobicContact CD1-CB 4.41Å; N433-W456 CarbonylContact O-C 3.39Å; N433-W456 WeakPolarHBondContact O-CA 3.08Å; S434-W456 VanDerWaalsContact CB-CB 3.5Å
457G95.3Very high90.5Very high16 Ų1628.5 Ų28.517%0.16516%0.156CC..EExtended strand (participates in β ladder)trans-135.5145.1179.300000111.4V372 G432 N433V372-G457 CarbonylContact O-C 3.57Å; V372-G457 VanDerWaalsContact O-CA 3.27Å; V372-G457 WeakPolarHBondContact O-CA 3.34Å; G432-G457 CarbonylContact C-O 3.55Å; G432-G457 VanDerWaalsContact CA-O 3.22Å; G432-G457 WeakPolarHBondContact CA-O 3.44Å; N433-G457 PolarHBondContact N-O 3.33Å; N433-G457 PolarHBondContact O-N 3.08Å; N433-G457 VanDerWaalsContact O-O 3.09Å
458L93.7Very high89.9Confident6 Ų629.8 Ų29.83%0.03116%0.161CC..EExtended strand (participates in β ladder)trans-149.4153.4176.156.694.2000110.5F230 V372 F393 F394 I431 P463F230-L458 HydrophobicContact CD1-CD1 4.32Å; F230-L458 HydrophobicContact CE1-CD1 3.63Å; V372-L458 HydrophobicContact CB-CD1 3.72Å; V372-L458 HydrophobicContact CB-CG 4.01Å; V372-L458 HydrophobicContact CG1-CD1 4.35Å; V372-L458 HydrophobicContact CG1-CG 4.46Å; V372-L458 HydrophobicContact CG2-CD1 3.91Å; V372-L458 PolarHBondContact N-O 3.44Å; V372-L458 PolarHBondContact O-N 3.26Å; F393-L458 HydrophobicContact CE1-CD2 3.72Å; F393-L458 HydrophobicContact CZ-CD2 4.4Å; F394-L458 HydrophobicContact CE1-CD2 4.39Å; F394-L458 HydrophobicContact CE2-CD2 4.36Å; F394-L458 HydrophobicContact CZ-CD2 3.69Å; I431-L458 WeakPolarHBondContact O-CB 3.49Å; L458-P463 HydrophobicContact CD1-CG 4.3Å
459S90.3Very high89.3Confident15 Ų1530.6 Ų30.611%0.10518%0.176CC..EExtended strand (participates in β ladder)trans-72.3142.516963.20000110.2H370 E461 R462 P463H370-S459 CarbonylContact O-C 3.45Å; H370-S459 WeakPolarHBondContact O-CA 3.44Å; S459-E461 VanDerWaalsContact C-N 3.32Å; S459-R462 WeakPolarHBondContact OG-CB 3.37Å; S459-R462 WeakPolarHBondContact OG-CD 3.38Å; S459-R462 WeakPolarHBondContact OG-CG 3.49Å; S459-R462 PolarHBondContact OG-N 3.27Å; S459-P463 WeakPolarHBondContact O-CD 3.38Å
460L91.9Very high89Confident1 Ų124.5 Ų24.51%0.00515%0.146CC..SBendtrans-73.1-29.3171.7-172.866000112L223 V226 R227 F230 I352 H370 V372 P463 T464L223-L460 HydrophobicContact CD1-CB 4.29Å; L223-L460 HydrophobicContact CD1-CD2 3.84Å; L223-L460 HydrophobicContact CD1-CG 3.78Å; L223-L460 HydrophobicContact CD2-CD2 4.43Å; L223-L460 HydrophobicContact CG-CD2 3.76Å; L223-L460 HydrophobicContact CG-CG 4.27Å; V226-L460 HydrophobicContact CB-CD1 4.47Å; V226-L460 HydrophobicContact CG1-CD1 3.89Å; R227-L460 HydrophobicContact CB-CD2 3.77Å; R227-L460 HydrophobicContact CG-CD2 4.47Å; F230-L460 HydrophobicContact CD1-CD1 4.15Å; F230-L460 HydrophobicContact CD2-CD1 4.39Å; F230-L460 HydrophobicContact CE1-CD1 4.42Å; F230-L460 HydrophobicContact CG-CD1 4.15Å; I352-L460 HydrophobicContact CG2-CD2 4.28Å; H370-L460 HydrophobicContact CB-CB 3.91Å; H370-L460 HydrophobicContact CB-CD2 4.08Å; H370-L460 PolarHBondContact O-N 3.28Å; V372-L460 HydrophobicContact CG2-CB 4.21Å; V372-L460 HydrophobicContact CG2-CD1 3.99Å; L460-P463 WeakPolarHBondContact O-CD 3.21Å; L460-T464 WeakPolarHBondContact O-CB 2.93Å; L460-T464 PolarHBondContact O-N 3.22Å; L460-T464 PolarHBondContact O-OG1 3.48Å
461E90.1Very high88.6Confident1 Ų131.8 Ų31.81%0.00517%0.165CC..Hα-helixtrans-67.5-49-174.7-70.273.4-163.500111.7L223 H370 S459 T464 M465 I473 I477L223-E461 HydrophobicContact CD1-CG 4.11Å; H370-E461 IonicContact CE1-OE1 2.75Å; H370-E461 IonicContact CG-OE1 3.32Å; H370-E461 PolarHBondContact N-OE1 2.93Å; H370-E461 PolarHBondContact N-OE2 2.69Å; H370-E461 IonicContact ND1-OE1 3.11Å; H370-E461 PolarHBondContact ND1-OE1 2.83Å; S459-E461 VanDerWaalsContact C-N 3.32Å; E461-T464 CarbonylContact O-C 3.56Å; E461-T464 WeakPolarHBondContact O-CA 3.4Å; E461-T464 WeakPolarHBondContact O-CB 3.5Å; E461-T464 PolarHBondContact O-N 3.36Å; E461-M465 WeakPolarHBondContact O-CG 2.98Å; E461-M465 PolarHBondContact O-N 3.19Å; E461-I473 HydrophobicContact CB-CD1 3.62Å; E461-I473 HydrophobicContact CB-CG1 3.95Å; E461-I473 HydrophobicContact CG-CD1 3.97Å; E461-I473 HydrophobicContact CG-CG1 4.16Å; E461-I477 HydrophobicContact CG-CD1 3.49Å; E461-I477 VanDerWaalsContact CG-CD1 3.49Å; E461-I477 WeakPolarHBondContact OE1-CD1 3.45Å
462R82.8Confident88.2Confident86 Ų8632.9 Ų32.933%0.32517%0.172SC..Hα-helixtrans-58-50.4-177.6-64.2174.6-165.4174.46.5112.4E430 S459 T464 M465 I466E430-R462 PolarHBondContact O-NH1 3.25Å; E430-R462 VanDerWaalsContact O-NH1 3.15Å; E430-R462 IonicContact OE1-CZ 3.08Å; E430-R462 IonicContact OE1-NH1 2.72Å; E430-R462 PolarHBondContact OE1-NH1 3.45Å; E430-R462 IonicContact OE1-NH2 3.51Å; S459-R462 WeakPolarHBondContact OG-CB 3.37Å; S459-R462 WeakPolarHBondContact OG-CD 3.38Å; S459-R462 WeakPolarHBondContact OG-CG 3.49Å; S459-R462 PolarHBondContact OG-N 3.27Å; R462-T464 VanDerWaalsContact C-N 3.27Å; R462-T464 PolarHBondContact O-N 2.83Å; R462-M465 PolarHBondContact O-N 3.34Å; R462-I466 VanDerWaalsContact O-CG1 3.28Å; R462-I466 WeakPolarHBondContact O-CG1 3.35Å; R462-I466 PolarHBondContact O-N 3.27Å
463P83.3Confident87.5Confident15 Ų1531.7 Ų31.710%0.09716%0.162CC..Hα-helixtrans-59.9-36.2174.1-23.834.3000113.3F230 L458 S459 L460 I466 R467F230-P463 HydrophobicContact CZ-CB 3.88Å; F230-P463 HydrophobicContact CZ-CG 4.09Å; L458-P463 HydrophobicContact CD1-CG 4.3Å; S459-P463 WeakPolarHBondContact O-CD 3.38Å; L460-P463 WeakPolarHBondContact O-CD 3.21Å; P463-I466 PolarHBondContact O-N 3.41Å; P463-R467 VanDerWaalsContact O-CB 3.3Å; P463-R467 WeakPolarHBondContact O-CB 3.46Å; P463-R467 PolarHBondContact O-N 3.09Å
464T86Confident86.9Confident0 Ų037.2 Ų37.20%018%0.183CC..Hα-helixtrans-65.9-43.8177.6-57.10000111.3L223 V226 L460 E461 R462 I466 R467 Y468 L476L223-T464 HydrophobicContact CD1-CG2 4.19Å; V226-T464 WeakPolarHBondContact CG1-OG1 3.42Å; V226-T464 HydrophobicContact CG2-CG2 3.99Å; L460-T464 WeakPolarHBondContact O-CB 2.93Å; L460-T464 PolarHBondContact O-N 3.22Å; L460-T464 PolarHBondContact O-OG1 3.48Å; E461-T464 CarbonylContact O-C 3.56Å; E461-T464 WeakPolarHBondContact O-CA 3.4Å; E461-T464 WeakPolarHBondContact O-CB 3.5Å; E461-T464 PolarHBondContact O-N 3.36Å; R462-T464 VanDerWaalsContact C-N 3.27Å; R462-T464 PolarHBondContact O-N 2.83Å; T464-I466 PolarHBondContact O-N 2.78Å; T464-R467 PolarHBondContact O-N 3.42Å; T464-Y468 HydrophobicContact CG2-CD2 3.83Å; T464-Y468 HydrophobicContact CG2-CE2 4.19Å; T464-Y468 WeakPolarHBondContact O-CD2 3.14Å; T464-Y468 PolarHBondContact O-N 3.08Å; T464-L476 HydrophobicContact CG2-CD1 4.24Å; T464-L476 HydrophobicContact CG2-CD2 3.67Å
465M83.5Confident86.2Confident26 Ų2640.7 Ų40.713%0.12820%0.202CC..Hα-helixtrans-58.2-47.8174.3-70.5178.172.900111.4E461 R462 R467 G469 Y470 K471 I473 L476E461-M465 WeakPolarHBondContact O-CG 2.98Å; E461-M465 PolarHBondContact O-N 3.19Å; R462-M465 PolarHBondContact O-N 3.34Å; M465-R467 VanDerWaalsContact C-N 3.34Å; M465-R467 PolarHBondContact O-N 3.1Å; M465-G469 CarbonylContact O-C 3.57Å; M465-G469 WeakPolarHBondContact O-CA 3.07Å; M465-G469 PolarHBondContact O-N 2.66Å; M465-Y470 WeakPolarHBondContact CE-O 3.23Å; M465-Y470 PolarHBondContact O-N 3.06Å; M465-K471 WeakPolarHBondContact CE-O 3.44Å; M465-I473 HydrophobicContact CE-CB 4.26Å; M465-I473 HydrophobicContact SD-CB 3.75Å; M465-I473 HydrophobicContact SD-CD1 4.43Å; M465-I473 HydrophobicContact SD-CG1 3.93Å; M465-L476 HydrophobicContact CB-CD1 4.25Å; M465-L476 HydrophobicContact CG-CD1 3.19Å; M465-L476 HydrophobicContact SD-CD1 4.37Å
466I80.1Confident85.6Confident47 Ų4740.3 Ų40.324%0.24120%0.199CC..Hα-helixtrans-61.8-44.3179.8-65.4172.5000110.7R462 P463 T464R462-I466 VanDerWaalsContact O-CG1 3.28Å; R462-I466 WeakPolarHBondContact O-CG1 3.35Å; R462-I466 PolarHBondContact O-N 3.27Å; P463-I466 PolarHBondContact O-N 3.41Å; T464-I466 PolarHBondContact O-N 2.78Å
467R78Confident85.1Confident68 Ų6841.3 Ų41.326%0.25720%0.204SC..Hα-helixtrans-70.7-40-175.5-172.3175.6-171171.71.1113.6E229 P463 T464 M465 C492E229-R467 VanDerWaalsContact CD-NH2 3.34Å; E229-R467 IonicContact OE1-CZ 3.59Å; E229-R467 IonicContact OE1-NH1 3.46Å; E229-R467 PolarHBondContact OE1-NH1 3.19Å; E229-R467 IonicContact OE1-NH2 2.66Å; E229-R467 PolarHBondContact OE1-NH2 2.94Å; E229-R467 IonicContact OE2-CZ 3.9Å; E229-R467 IonicContact OE2-NH1 2.61Å; E229-R467 PolarHBondContact OE2-NH1 3.41Å; E229-R467 IonicContact OE2-NH2 3.45Å; E229-R467 PolarHBondContact OE2-NH2 3.19Å; P463-R467 VanDerWaalsContact O-CB 3.3Å; P463-R467 WeakPolarHBondContact O-CB 3.46Å; P463-R467 PolarHBondContact O-N 3.09Å; T464-R467 PolarHBondContact O-N 3.42Å; M465-R467 VanDerWaalsContact C-N 3.34Å; M465-R467 PolarHBondContact O-N 3.1Å; R467-C492 PolarHBondContact NH2-O 3.01Å
468Y80.5Confident84.6Confident35 Ų3542.1 Ų42.114%0.13721%0.212CC..Hα-helixtrans-93-6-179.8-76-85.3000113.3P222 V226 T464 Y470 A489 P490 C492P222-Y468 HydrophobicContact CB-CD2 4.33Å; P222-Y468 HydrophobicContact CB-CE1 4.31Å; P222-Y468 HydrophobicContact CB-CE2 3.93Å; V226-Y468 HydrophobicContact CG2-CE2 3.84Å; T464-Y468 HydrophobicContact CG2-CD2 3.83Å; T464-Y468 HydrophobicContact CG2-CE2 4.19Å; T464-Y468 WeakPolarHBondContact O-CD2 3.14Å; T464-Y468 PolarHBondContact O-N 3.08Å; Y468-Y470 VanDerWaalsContact CB-CD2 3.49Å; Y468-Y470 HydrophobicContact CD1-CE2 4.29Å; Y468-Y470 HydrophobicContact CD2-CE2 4.23Å; Y468-Y470 HydrophobicContact CG-CD2 4.41Å; Y468-Y470 AromaticContact CG-CE2 3.67Å; Y468-Y470 HydrophobicContact CG-CE2 3.67Å; Y468-A489 HydrophobicContact CE1-CB 4.2Å; Y468-P490 HydrophobicContact CE1-CG 4.46Å; Y468-C492 WeakPolarHBondContact CE1-SG 3.38Å; Y468-C492 PolarHBondContact OH-SG 3.06Å; Y468-C492 VanDerWaalsContact OH-SG 3.38Å
469G80.1Confident84.3Confident58 Ų5848.4 Ų48.460%0.59825%0.253SS*.THydrogen-bonded Turntrans75.526.6179.800000114.3M465M465-G469 CarbonylContact O-C 3.57Å; M465-G469 WeakPolarHBondContact O-CA 3.07Å; M465-G469 PolarHBondContact O-N 2.66Å
470Y82.4Confident84.1Confident42 Ų4257 Ų5717%0.16529%0.289CS..  trans-80.8136.8178.1-56.9-51.5000111.6M465 Y468 L476 M485M465-Y470 WeakPolarHBondContact CE-O 3.23Å; M465-Y470 PolarHBondContact O-N 3.06Å; Y468-Y470 VanDerWaalsContact CB-CD2 3.49Å; Y468-Y470 HydrophobicContact CD1-CE2 4.29Å; Y468-Y470 HydrophobicContact CD2-CE2 4.23Å; Y468-Y470 HydrophobicContact CG-CD2 4.41Å; Y468-Y470 AromaticContact CG-CE2 3.67Å; Y468-Y470 HydrophobicContact CG-CE2 3.67Å; Y470-L476 HydrophobicContact CD2-CD1 3.97Å; Y470-L476 HydrophobicContact CD2-CD2 3.43Å; Y470-L476 VanDerWaalsContact CD2-CD2 3.43Å; Y470-L476 HydrophobicContact CD2-CG 3.61Å; Y470-L476 HydrophobicContact CE2-CD2 3.47Å; Y470-L476 VanDerWaalsContact CE2-CD2 3.47Å; Y470-L476 HydrophobicContact CE2-CG 4.14Å; Y470-L476 HydrophobicContact CG-CG 4.32Å; Y470-M485 HydrophobicContact CD1-SD 3.85Å; Y470-M485 HydrophobicContact CE1-CE 4.39Å; Y470-M485 HydrophobicContact CE1-CG 3.63Å; Y470-M485 HydrophobicContact CE1-SD 3.2Å; Y470-M485 WeakPolarHBondContact CE1-SD 3.34Å; Y470-M485 HydrophobicContact CE2-CE 4.45Å; Y470-M485 HydrophobicContact CE2-SD 4.21Å; Y470-M485 WeakPolarHBondContact OH-CG 3.38Å
471K81.6Confident84Confident196 Ų19658.3 Ų58.385%0.85230%0.296SS*.SBendtrans-92.7-32-177.9-67.1-178-179.7177.40113.7M465M465-K471 WeakPolarHBondContact CE-O 3.44Å
472N84.6Confident83.9Confident32 Ų3262.4 Ų62.417%0.17132%0.318CS..  trans-119126.5-175.7175.212.3000109.3R474 D475N472-R474 PolarHBondContact O-N 2.99Å; N472-R474 WeakPolarHBondContact OD1-CB 3.48Å; N472-R474 PolarHBondContact OD1-N 2.94Å; N472-R474 PolarHBondContact OD1-NE 3.16Å; N472-R474 VanDerWaalsContact OD1-N 3.14Å; N472-D475 PolarHBondContact ND2-OD1 3.44Å; N472-D475 WeakPolarHBondContact O-CB 3.22Å; N472-D475 PolarHBondContact O-N 2.62Å; N472-D475 WeakPolarHBondContact CB-OD2 3.18Å
473I82.8Confident84.3Confident9 Ų962.7 Ų62.75%0.04633%0.325CS..G310 helixtrans-63.9-27-178.1-163.4170.6000112.4A363 L366 E461 M465 D475 L476A363-I473 WeakPolarHBondContact O-CG2 3.47Å; A363-I473 PolarHBondContact O-N 3.36Å; A363-I473 VanDerWaalsContact O-N 3.09Å; L366-I473 HydrophobicContact CD1-CD1 3.91Å; L366-I473 HydrophobicContact CD1-CG1 3.76Å; L366-I473 HydrophobicContact CD1-CG2 4.31Å; L366-I473 HydrophobicContact CD2-CG2 3.9Å; L366-I473 HydrophobicContact CG-CD1 3.98Å; L366-I473 HydrophobicContact CG-CG1 4.06Å; L366-I473 HydrophobicContact CG-CG2 3.75Å; E461-I473 HydrophobicContact CB-CD1 3.62Å; E461-I473 HydrophobicContact CB-CG1 3.95Å; E461-I473 HydrophobicContact CG-CD1 3.97Å; E461-I473 HydrophobicContact CG-CG1 4.16Å; M465-I473 HydrophobicContact CE-CB 4.26Å; M465-I473 HydrophobicContact SD-CB 3.75Å; M465-I473 HydrophobicContact SD-CD1 4.43Å; M465-I473 HydrophobicContact SD-CG1 3.93Å; I473-D475 PolarHBondContact O-N 2.93Å; I473-L476 WeakPolarHBondContact O-CB 3.47Å; I473-L476 PolarHBondContact O-N 3.38Å; I473-L476 VanDerWaalsContact O-N 3.08Å
474R84.2Confident84.6Confident117 Ų11766.3 Ų66.344%0.44234%0.344SS..G310 helixtrans-70.5-17.4178.8-62.9177.3-68.6173-1.3113.4D362 L366 N472D362-R474 PolarHBondContact O-NE 2.76Å; L366-R474 HydrophobicContact CD2-CG 3.78Å; N472-R474 PolarHBondContact O-N 2.99Å; N472-R474 WeakPolarHBondContact OD1-CB 3.48Å; N472-R474 PolarHBondContact OD1-N 2.94Å; N472-R474 PolarHBondContact OD1-NE 3.16Å; N472-R474 VanDerWaalsContact OD1-N 3.14Å
475D84.6Confident84.7Confident73 Ų7367.7 Ų67.739%0.3935%0.35SS..G310 helixtrans-77.3-18.4174.5-55.2-13.5000110.7N472 I473 I481 M485N472-D475 PolarHBondContact ND2-OD1 3.44Å; N472-D475 WeakPolarHBondContact O-CB 3.22Å; N472-D475 PolarHBondContact O-N 2.62Å; N472-D475 WeakPolarHBondContact CB-OD2 3.18Å; I473-D475 PolarHBondContact O-N 2.93Å; D475-I481 WeakPolarHBondContact O-CG1 3.38Å; D475-M485 WeakPolarHBondContact O-CE 2.63Å
476L84.3Confident84.9Confident0 Ų067.2 Ų67.20%035%0.348CS..THydrogen-bonded Turntrans-90.2-29.3179.3-86.7166.5000114H221 T464 M465 Y470 I473H221-L476 PolarHBondContact CE1-O 3.33Å; H221-L476 PolarHBondContact NE2-O 2.69Å; T464-L476 HydrophobicContact CG2-CD1 4.24Å; T464-L476 HydrophobicContact CG2-CD2 3.67Å; M465-L476 HydrophobicContact CB-CD1 4.25Å; M465-L476 HydrophobicContact CG-CD1 3.19Å; M465-L476 HydrophobicContact SD-CD1 4.37Å; Y470-L476 HydrophobicContact CD2-CD1 3.97Å; Y470-L476 HydrophobicContact CD2-CD2 3.43Å; Y470-L476 VanDerWaalsContact CD2-CD2 3.43Å; Y470-L476 HydrophobicContact CD2-CG 3.61Å; Y470-L476 HydrophobicContact CE2-CD2 3.47Å; Y470-L476 VanDerWaalsContact CE2-CD2 3.47Å; Y470-L476 HydrophobicContact CE2-CG 4.14Å; Y470-L476 HydrophobicContact CG-CG 4.32Å; I473-L476 WeakPolarHBondContact O-CB 3.47Å; I473-L476 PolarHBondContact O-N 3.38Å; I473-L476 VanDerWaalsContact O-N 3.08Å
477I86.3Confident85.3Confident25 Ų2570.6 Ų70.613%0.12836%0.359CS..SBendtrans-139.7137.4-171.2-59.8179.6000109.9L223 L366 E461L223-I477 HydrophobicContact CD2-CD1 3.44Å; L223-I477 VanDerWaalsContact CD2-CD1 3.44Å; L223-I477 HydrophobicContact CD2-CG1 3.77Å; L366-I477 HydrophobicContact CD1-CB 4.12Å; L366-I477 HydrophobicContact CD1-CD1 4.07Å; E461-I477 HydrophobicContact CG-CD1 3.49Å; E461-I477 VanDerWaalsContact CG-CD1 3.49Å; E461-I477 WeakPolarHBondContact OE1-CD1 3.45Å
478G86.3Confident85.7Confident32 Ų3275.6 Ų75.633%0.3338%0.382SS..SBendtrans120176.1169.800000113K480 I481G478-K480 PolarHBondContact O-N 2.98Å; G478-I481 WeakPolarHBondContact O-CG2 3.37Å; G478-I481 PolarHBondContact O-N 3.12Å
479P87Confident85.9Confident138 Ų13874.4 Ų74.490%0.89638%0.38SS*.THydrogen-bonded Turntrans-69.4-13.7-176.628-35.3000113.5
480K86.1Confident85.9Confident197 Ų19774.5 Ų74.586%0.85737%0.37SS*.THydrogen-bonded Turntrans-93.710.9-179.6-63.4-173.7178.7-179.10113.6G478G478-K480 PolarHBondContact O-N 2.98Å
481I88.5Confident85.4Confident28 Ų2879 Ų7914%0.14440%0.396CS..  trans-61.5137.2179.6-172.5158.3000111.5H221 D475 G478 L483 M485 I486H221-I481 WeakPolarHBondContact NE2-CD1 3.48Å; D475-I481 WeakPolarHBondContact O-CG1 3.38Å; G478-I481 WeakPolarHBondContact O-CG2 3.37Å; G478-I481 PolarHBondContact O-N 3.12Å; I481-L483 HydrophobicContact CG2-CD2 4.35Å; I481-L483 PolarHBondContact O-N 3.25Å; I481-M485 HydrophobicContact CD1-CE 3.86Å; I481-M485 HydrophobicContact CG1-CE 3.96Å; I481-I486 HydrophobicContact CD1-CD1 3.8Å; I481-I486 HydrophobicContact CD1-CG1 4.03Å; I481-I486 HydrophobicContact CG1-CD1 4.11Å; I481-I486 HydrophobicContact CG1-CG1 4.31Å; I481-I486 HydrophobicContact CG2-CD1 4.36Å
482D89.5Confident84.3Confident87 Ų8770.3 Ų70.347%0.46536%0.36SS..  trans-73.3110.8171.6179.311.4000110N484 M485 I486D482-N484 PolarHBondContact O-N 2.78Å; D482-N484 WeakPolarHBondContact OD1-CB 3.47Å; D482-N484 PolarHBondContact OD1-N 2.98Å; D482-M485 VanDerWaalsContact O-N 3.11Å; D482-M485 PolarHBondContact O-N 3.44Å; D482-M485 HydrophobicContact CB-CB 4.14Å; D482-M485 WeakPolarHBondContact O-CB 3.42Å; D482-I486 PolarHBondContact O-N 3.39Å
483L91.1Very high83.1Confident91 Ų9177.7 Ų77.748%0.47639%0.385SS..Hα-helixtrans-63-29.7178.2-62.6-179000112.4I481 M485 I486 Y487I481-L483 HydrophobicContact CG2-CD2 4.35Å; I481-L483 PolarHBondContact O-N 3.25Å; L483-M485 PolarHBondContact O-N 2.87Å; L483-I486 HydrophobicContact CD2-CD1 3.92Å; L483-I486 WeakPolarHBondContact O-CB 3.4Å; L483-I486 PolarHBondContact O-N 2.66Å; L483-I486 VanDerWaalsContact O-N 3.09Å; L483-Y487 HydrophobicContact CB-CE2 4.34Å; L483-Y487 WeakPolarHBondContact O-CD1 3.47Å; L483-Y487 VanDerWaalsContact O-CG 3.25Å; L483-Y487 PolarHBondContact O-N 2.98Å
484N89.1Confident81.6Confident92 Ų9285.5 Ų85.549%0.49242%0.424SS..Hα-helixtrans-64.1-33.2176.1-71.9-49.2000111.7D482 I486 Y487 K488D482-N484 PolarHBondContact O-N 2.78Å; D482-N484 WeakPolarHBondContact OD1-CB 3.47Å; D482-N484 PolarHBondContact OD1-N 2.98Å; N484-I486 VanDerWaalsContact C-N 3.33Å; N484-Y487 PolarHBondContact O-N 2.97Å; N484-K488 WeakPolarHBondContact O-CG 3.36Å; N484-K488 PolarHBondContact O-N 3.19Å; N484-K488 WeakPolarHBondContact O-CB 3.22Å
485M87.3Confident80Confident29 Ų2988 Ų8814%0.14343%0.434CS..Hα-helixtrans-62.2-42.6173.5-174-166.373.600110.9Y470 D475 I481 D482 L483 A489Y470-M485 HydrophobicContact CD1-SD 3.85Å; Y470-M485 HydrophobicContact CE1-CE 4.39Å; Y470-M485 HydrophobicContact CE1-CG 3.63Å; Y470-M485 HydrophobicContact CE1-SD 3.2Å; Y470-M485 WeakPolarHBondContact CE1-SD 3.34Å; Y470-M485 HydrophobicContact CE2-CE 4.45Å; Y470-M485 HydrophobicContact CE2-SD 4.21Å; Y470-M485 WeakPolarHBondContact OH-CG 3.38Å; D475-M485 WeakPolarHBondContact O-CE 2.63Å; I481-M485 HydrophobicContact CD1-CE 3.86Å; I481-M485 HydrophobicContact CG1-CE 3.96Å; D482-M485 VanDerWaalsContact O-N 3.11Å; D482-M485 PolarHBondContact O-N 3.44Å; D482-M485 HydrophobicContact CB-CB 4.14Å; D482-M485 WeakPolarHBondContact O-CB 3.42Å; L483-M485 PolarHBondContact O-N 2.87Å; M485-A489 WeakPolarHBondContact O-CB 3.22Å; M485-A489 PolarHBondContact O-N 2.95Å
486I88.6Confident77.7Confident16 Ų1693.9 Ų93.98%0.08246%0.456CS..Hα-helixtrans-64.2-42.2176.5-57.4177.9000110.5H219 I481 D482 L483 N484 A489H219-I486 HydrophobicContact CB-CG2 3.96Å; I481-I486 HydrophobicContact CD1-CD1 3.8Å; I481-I486 HydrophobicContact CD1-CG1 4.03Å; I481-I486 HydrophobicContact CG1-CD1 4.11Å; I481-I486 HydrophobicContact CG1-CG1 4.31Å; I481-I486 HydrophobicContact CG2-CD1 4.36Å; D482-I486 PolarHBondContact O-N 3.39Å; L483-I486 HydrophobicContact CD2-CD1 3.92Å; L483-I486 WeakPolarHBondContact O-CB 3.4Å; L483-I486 PolarHBondContact O-N 2.66Å; L483-I486 VanDerWaalsContact O-N 3.09Å; N484-I486 VanDerWaalsContact C-N 3.33Å; I486-A489 WeakPolarHBondContact O-CB 3.37Å; I486-A489 PolarHBondContact O-N 3.29Å
487Y89Confident75.3Confident118 Ų118101.9 Ų101.946%0.46351%0.51SS..Hα-helixtrans-67.3-39-177.7-60.4-14.6000112.5H219 L483 N484 A489H219-Y487 HydrophobicContact CB-CD1 3.99Å; H219-Y487 HydrophobicContact CB-CE1 4.42Å; H219-Y487 AromaticContact CD2-CD1 3.22Å; H219-Y487 WeakPolarHBondContact CD2-CD1 3.39Å; H219-Y487 AromaticContact CD2-CE1 3.69Å; H219-Y487 AromaticContact CD2-CG 3.91Å; H219-Y487 PolarHBondContact CE1-O 3.49Å; H219-Y487 AromaticContact CG-CD1 3.53Å; H219-Y487 PolarHBondContact ND1-O 2.93Å; H219-Y487 AromaticContact NE2-CD1 3.7Å; H219-Y487 AromaticContact NE2-CG 3.9Å; L483-Y487 HydrophobicContact CB-CE2 4.34Å; L483-Y487 WeakPolarHBondContact O-CD1 3.47Å; L483-Y487 VanDerWaalsContact O-CG 3.25Å; L483-Y487 PolarHBondContact O-N 2.98Å; N484-Y487 PolarHBondContact O-N 2.97Å; Y487-A489 VanDerWaalsContact C-N 3.33Å
488K86.3Confident74.7Confident172 Ų172105.7 Ų105.775%0.74853%0.529SS*.Hα-helixtrans-81.8-9.8177.9-67.4176.7-179.4177.80113.5N484 P490N484-K488 WeakPolarHBondContact O-CG 3.36Å; N484-K488 PolarHBondContact O-N 3.19Å; N484-K488 WeakPolarHBondContact O-CB 3.22Å; K488-P490 WeakPolarHBondContact O-CD 3.35Å
489A83.6Confident74.1Confident10 Ų10109.6 Ų109.68%0.08354%0.54CS..  trans-62.6118.9-175.300000111.1P222 R225 Y468 M485 I486 Y487P222-A489 HydrophobicContact CG-CB 3.82Å; R225-A489 PolarHBondContact NH1-O 2.88Å; Y468-A489 HydrophobicContact CE1-CB 4.2Å; M485-A489 WeakPolarHBondContact O-CB 3.22Å; M485-A489 PolarHBondContact O-N 2.95Å; I486-A489 WeakPolarHBondContact O-CB 3.37Å; I486-A489 PolarHBondContact O-N 3.29Å; Y487-A489 VanDerWaalsContact C-N 3.33Å
490P80.3Confident73.4Confident61 Ų61108 Ų10840%0.39652%0.52SS..  trans-66.4160.1-176.625.7-33.2000112.1R225 Y468 K488 C492R225-P490 PolarHBondContact NH1-O 3.4Å; R225-P490 VanDerWaalsContact NH1-O 3.12Å; Y468-P490 HydrophobicContact CE1-CG 4.46Å; K488-P490 WeakPolarHBondContact O-CD 3.35Å; P490-C492 VanDerWaalsContact C-N 3.28Å; P490-C492 PolarHBondContact O-N 3.44Å
491L71.6Confident72.7Confident136 Ų136102.8 Ų102.871%0.71250%0.5SS*.  trans-70.585.7167-70.5170.6000108.7R493L491-R493 PolarHBondContact O-N 3.49Å
492C58.9Low71.7Confident13 Ų13107.4 Ų107.49%0.08852%0.522CS..G310 helixtrans-66.22.2-173.4-77.20000116.2R467 Y468 P490 M494R467-C492 PolarHBondContact NH2-O 3.01Å; Y468-C492 WeakPolarHBondContact CE1-SG 3.38Å; Y468-C492 PolarHBondContact OH-SG 3.06Å; Y468-C492 VanDerWaalsContact OH-SG 3.38Å; P490-C492 VanDerWaalsContact C-N 3.28Å; P490-C492 PolarHBondContact O-N 3.44Å; C492-M494 PolarHBondContact O-N 3.46Å; C492-M494 VanDerWaalsContact O-N 3.13Å
493R59.6Low70.5Confident187 Ų187108.8 Ų108.871%0.70653%0.526SS*.G310 helixtrans-63.5-20.1-176-68.5-174.7179.2177.20.5114.5L491L491-R493 PolarHBondContact O-N 3.49Å
494M52.5Low69Low174 Ų174110.1 Ų110.186%0.85753%0.53SS*.G310 helixtrans-110.4-10.4-169-68.6-111.7-74.400114.9C492 K496C492-M494 PolarHBondContact O-N 3.46Å; C492-M494 VanDerWaalsContact O-N 3.13Å; M494-K496 PolarHBondContact O-N 2.93Å
495Y49.4Very low67.5Low168 Ų168111.5 Ų111.566%0.65953%0.533SS*.  trans-82.390.4177-68.4-80.3000109.4C497Y495-C497 PolarHBondContact O-N 2.84Å
496K36Very low65.8Low198 Ų198118.3 Ų118.386%0.86157%0.565SS**  trans-58.9116.7147.3-73.9179.7176.7178.50105.5M494M494-K496 PolarHBondContact O-N 2.93Å
497C34.1Very low63.7Low167 Ų167127.6 Ų127.6100%1.12861%0.609SS**  trans-54.30168.5-68.90000111.1Y495Y495-C497 PolarHBondContact O-N 2.84Å

Retrieved 497 of 497 residues in 162.2 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).