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L-serine dehydratase/L-threonine deaminase

Catalyzes the pyridoxal-phosphate-dependent dehydrative deamination of L-threonine and L-serine to ammonia and alpha-ketobutyrate and pyruvate, respectively.

AlphaFold DB , UniProt , Accession A0A096NEA9, Species PAPAN (Papio anubis, Olive baboon), Gene SDS, Length 328 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43.9Very low84.2Confident244 Ų24490.4 Ų90.4100%1.20250%0.499SS*.  0123.80-78.9-177.6-110.500107.4S3M1-S3 PolarHBondContact O-N 2.97Å
2M59.1Low85.4Confident98 Ų9888.9 Ų88.948%0.48350%0.497SS..  trans-61.9132.1173-71178161.800108.8A53 L79M2-A53 HydrophobicContact CE-CB 4.12Å; M2-A53 HydrophobicContact SD-CB 4.28Å; M2-L79 HydrophobicContact CE-CB 3.84Å; M2-L79 HydrophobicContact CE-CD2 3.79Å; M2-L79 HydrophobicContact CE-CG 4.43Å; M2-L79 WeakPolarHBondContact CE-O 3.13Å; M2-L79 HydrophobicContact SD-CD2 3.79Å
3S66.8Low86.4Confident77 Ų7785.5 Ų85.554%0.53848%0.476SS..  trans-57.4147.3179.161.10000110.5M1 E5 K50M1-S3 PolarHBondContact O-N 2.97Å; S3-E5 PolarHBondContact O-N 3.27Å; S3-K50 WeakPolarHBondContact O-CE 3.35Å; S3-K50 PolarHBondContact O-NZ 3.17Å
4G75.8Confident87.3Confident80 Ų8086.1 Ų86.183%0.82547%0.468SS*.SBendtrans-65.1-17176.400000113.5K50G4-K50 PolarHBondContact O-NZ 3.11Å
5E90.4Very high88.1Confident140 Ų14086.1 Ų86.165%0.65447%0.467SS*.SBendtrans-72.7143.1-171.9-66.1-179.4166.800114.5S3 K50S3-E5 PolarHBondContact O-N 3.27Å; E5-K50 VanDerWaalsContact C-NZ 3.32Å; E5-K50 PolarHBondContact O-NZ 2.81Å
6P96.8Very high88.7Confident77 Ų7780.8 Ų80.850%0.544%0.438SS..  trans-62.8158.817728.5-35000112.3H8P6-H8 VanDerWaalsContact C-N 3.34Å; P6-H8 WeakPolarHBondContact CB-CE1 3.29Å; P6-H8 WeakPolarHBondContact CB-ND1 3.27Å
7L98.3Very high89.3Confident26 Ų2683.4 Ų83.414%0.13645%0.449CS..SBendtrans-82-13.9176.2-60.6179.8000113.4I42 A75 Q78 L79L7-I42 HydrophobicContact CB-CD1 4.14Å; L7-I42 HydrophobicContact CB-CG1 4.32Å; L7-A75 HydrophobicContact CD1-CB 3.67Å; L7-Q78 HydrophobicContact CD2-CB 3.86Å; L7-Q78 HydrophobicContact CD2-CG 4.47Å; L7-L79 HydrophobicContact CD1-CD1 3.96Å; L7-L79 HydrophobicContact CD1-CD2 4.37Å; L7-L79 HydrophobicContact CD1-CG 4.04Å
8H98.8Very high89.8Confident24 Ų2480.6 Ų80.611%0.11144%0.439CS..SBendtrans-87.2159.3170.567.7-94.9000110P6 I42 R43 S147 E151P6-H8 VanDerWaalsContact C-N 3.34Å; P6-H8 WeakPolarHBondContact CB-CE1 3.29Å; P6-H8 WeakPolarHBondContact CB-ND1 3.27Å; H8-I42 HydrophobicContact CB-CG2 3.89Å; H8-R43 HydrophobicContact CB-CB 4.34Å; H8-R43 HydrophobicContact CB-CG 3.75Å; H8-R43 PolarHBondContact CD2-NH1 3.36Å; H8-R43 VanDerWaalsContact CD2-NH1 3.25Å; H8-S147 PolarHBondContact CE1-OG 3.47Å; H8-S147 WeakPolarHBondContact NE2-CB 3.41Å; H8-S147 PolarHBondContact NE2-OG 2.93Å; H8-E151 IonicContact CD2-OE1 2.78Å; H8-E151 IonicContact NE2-OE1 3.76Å
9V98.6Very high90.3Very high68 Ų6876.4 Ų76.441%0.41242%0.416SS..  trans-105.4159.3173-560000110.5T11 Q35 P36V9-T11 HydrophobicContact CG2-CG2 4.08Å; V9-T11 PolarHBondContact O-N 2.77Å; V9-Q35 PolarHBondContact O-NE2 3.46Å; V9-P36 HydrophobicContact CG1-CG 3.93Å
10R98.7Very high90.7Very high151 Ų15173.4 Ų73.457%0.5740%0.401SS*.  trans-74.4109.5169.9-48.1-169.487.6-17810.6108.4E151 E154R10-E151 WeakPolarHBondContact CA-OE2 3.07Å; R10-E151 HydrophobicContact CB-CG 4.4Å; R10-E151 HydrophobicContact CG-CG 4.39Å; R10-E154 IonicContact CZ-OE1 2.79Å; R10-E154 IonicContact CZ-OE2 2.66Å; R10-E154 IonicContact NH1-OE2 3.49Å; R10-E154 PolarHBondContact NH1-OE2 2.91Å; R10-E154 IonicContact NH2-OE1 3.42Å; R10-E154 PolarHBondContact NH2-OE1 3.48Å; R10-E154 IonicContact NH2-OE2 3.55Å; R10-E154 PolarHBondContact NH2-OE2 3.05Å
11T98.8Very high91.1Very high9 Ų978.7 Ų78.76%0.05542%0.42CS..  trans-85.2151.2-176.249.90000111.6V9 K30 M31 D32 A34 Q35 R43 E151V9-T11 HydrophobicContact CG2-CG2 4.08Å; V9-T11 PolarHBondContact O-N 2.77Å; T11-K30 PolarHBondContact O-NZ 2.67Å; T11-K30 WeakPolarHBondContact OG1-CE 3.22Å; T11-K30 PolarHBondContact OG1-NZ 3.26Å; T11-M31 VanDerWaalsContact CB-O 3.3Å; T11-M31 WeakPolarHBondContact CB-O 3.36Å; T11-M31 WeakPolarHBondContact CG2-O 3.27Å; T11-D32 WeakPolarHBondContact CG2-OD1 3.26Å; T11-D32 PolarHBondContact OG1-OD1 2.89Å; T11-A34 HydrophobicContact CG2-CB 4.36Å; T11-Q35 HydrophobicContact CG2-CG 3.94Å; T11-R43 PolarHBondContact OG1-NH2 3.28Å; T11-R43 VanDerWaalsContact OG1-NH2 3.15Å; T11-E151 PolarHBondContact N-OE2 3.12Å
12P98.7Very high93.6Very high73 Ų7369.2 Ų69.247%0.47438%0.376SS..  trans-58152177.2-24.634.1000113M31P12-M31 HydrophobicContact CB-CB 4.49Å; P12-M31 HydrophobicContact CB-CG 4.41Å; P12-M31 PolarHBondContact O-N 2.98Å
13I98.8Very high95.5Very high45 Ų4564.6 Ų64.623%0.23135%0.353CS..EExtended strand (participates in β ladder)trans-106.4119.6160-61.1165.5000106.1Y28 L29 K30 L152 A155 L156I13-Y28 HydrophobicContact CG2-CD1 4.19Å; I13-Y28 HydrophobicContact CG2-CG 4.23Å; I13-L29 CarbonylContact C-O 3.52Å; I13-L29 VanDerWaalsContact CA-O 3.3Å; I13-L29 WeakPolarHBondContact CA-O 3.27Å; I13-K30 HydrophobicContact CG1-CD 3.93Å; I13-L152 HydrophobicContact CD1-CD2 3.63Å; I13-L152 HydrophobicContact CG1-CD2 4.03Å; I13-A155 HydrophobicContact CD1-CB 3.57Å; I13-L156 HydrophobicContact CD1-CD2 4.32Å; I13-L156 HydrophobicContact CD1-CG 4.36Å; I13-L156 HydrophobicContact CG2-CD2 4.25Å
14R98.7Very high96.9Very high94 Ų9464.4 Ų64.436%0.35536%0.364SS..EExtended strand (participates in β ladder)trans-99.5132.7176.2-65.4-177-179.5-1801.3109.9S16 Y28 L29 M31 E262R14-S16 PolarHBondContact O-N 2.59Å; R14-Y28 CarbonylContact O-C 3.48Å; R14-Y28 VanDerWaalsContact O-CA 3.29Å; R14-Y28 WeakPolarHBondContact O-CA 3.45Å; R14-L29 HydrophobicContact CB-CB 4.3Å; R14-L29 PolarHBondContact N-O 2.95Å; R14-L29 PolarHBondContact O-N 2.62Å; R14-M31 HydrophobicContact CG-CG 3.84Å; R14-M31 HydrophobicContact CG-SD 4.27Å; R14-E262 PolarHBondContact NH1-O 3.02Å; R14-E262 VanDerWaalsContact NH1-O 3.17Å; R14-E262 IonicContact NH1-OE2 3.98Å; R14-E262 PolarHBondContact NH1-OE2 2.92Å
15D98.7Very high98Very high86 Ų8661.3 Ų61.346%0.4633%0.329SS..EExtended strand (participates in β ladder)trans-80108.5164.5-172.6-3.4000108.7M17 Y28D15-M17 VanDerWaalsContact CG-CE 3.46Å; D15-M17 WeakPolarHBondContact OD1-CE 3.44Å; D15-Y28 HydrophobicContact CB-CD1 4.05Å; D15-Y28 HydrophobicContact CB-CE1 3.83Å
16S98.7Very high98.3Very high1 Ų157 Ų571%0.00731%0.314CS..  trans-95.9105.1-173.1-177.20000111.1R14 A18 L19 S20 V27 E262R14-S16 PolarHBondContact O-N 2.59Å; S16-A18 VanDerWaalsContact C-N 3.3Å; S16-A18 PolarHBondContact O-N 3.01Å; S16-L19 WeakPolarHBondContact OG-CD1 3.39Å; S16-L19 PolarHBondContact OG-N 3.1Å; S16-S20 WeakPolarHBondContact O-CB 3.34Å; S16-S20 PolarHBondContact O-N 3.02Å; S16-S20 PolarHBondContact O-OG 3.25Å; S16-V27 PolarHBondContact N-O 3.05Å; S16-E262 VanDerWaalsContact CB-OE1 3.27Å; S16-E262 WeakPolarHBondContact CB-OE1 3.29Å; S16-E262 PolarHBondContact OG-OE1 3.16Å
17M98.6Very high98.4Very high125 Ų12553.4 Ų53.462%0.61629%0.29SS*.Hα-helixtrans-63.7-36.3175-65.8-62.499.300112.4D15 K21D15-M17 VanDerWaalsContact CG-CE 3.46Å; D15-M17 WeakPolarHBondContact OD1-CE 3.44Å; M17-K21 WeakPolarHBondContact O-CB 3.27Å; M17-K21 PolarHBondContact O-N 3.15Å
18A98.4Very high98.5Very high33 Ų3355 Ų5527%0.27330%0.295SS..Hα-helixtrans-63.6-53.3179.500000111.2S16 K21 V22 D261S16-A18 VanDerWaalsContact C-N 3.3Å; S16-A18 PolarHBondContact O-N 3.01Å; A18-K21 PolarHBondContact O-N 3.45Å; A18-V22 PolarHBondContact O-N 3.4Å; A18-D261 HydrophobicContact CB-CB 3.95Å
19L98.6Very high98.5Very high0 Ų053.8 Ų53.80%029%0.29CS..Hα-helixtrans-71.9-32.4-180-82.171.4000112S16 K21 V22 A23 V27 L29 F258 D261 L274 V277 Y278S16-L19 WeakPolarHBondContact OG-CD1 3.39Å; S16-L19 PolarHBondContact OG-N 3.1Å; L19-K21 VanDerWaalsContact C-N 3.3Å; L19-K21 PolarHBondContact O-N 3.45Å; L19-V22 PolarHBondContact O-N 3.11Å; L19-A23 WeakPolarHBondContact O-CB 3.37Å; L19-A23 PolarHBondContact O-N 2.91Å; L19-V27 HydrophobicContact CB-CB 3.99Å; L19-V27 HydrophobicContact CB-CG1 3.81Å; L19-V27 HydrophobicContact CB-CG2 4.28Å; L19-V27 HydrophobicContact CD2-CG1 4.32Å; L19-L29 HydrophobicContact CD2-CD2 3.82Å; L19-F258 HydrophobicContact CD1-CD2 4.42Å; L19-F258 HydrophobicContact CD2-CE2 4.46Å; L19-D261 HydrophobicContact CD1-CB 4.47Å; L19-L274 HydrophobicContact CD2-CD2 4.04Å; L19-V277 HydrophobicContact CB-CG1 4.11Å; L19-V277 HydrophobicContact CG-CG1 4.19Å; L19-Y278 HydrophobicContact CD1-CE1 4.3Å; L19-Y278 HydrophobicContact CD1-CE2 4.43Å; L19-Y278 VanDerWaalsContact CD1-OH 3.23Å; L19-Y278 WeakPolarHBondContact CD1-OH 3.23Å; L19-Y278 HydrophobicContact CD2-CE2 4.32Å; L19-Y278 HydrophobicContact CG-CE1 4.38Å; L19-Y278 HydrophobicContact CG-CE2 4.41Å
20S98.7Very high98.5Very high17 Ų1750.7 Ų50.712%0.11927%0.27CS..Hα-helixtrans-60.3-41.6174.3-60.40000111.8S16 V22 A23 G24 T25 V27S16-S20 WeakPolarHBondContact O-CB 3.34Å; S16-S20 PolarHBondContact O-N 3.02Å; S16-S20 PolarHBondContact O-OG 3.25Å; S20-V22 VanDerWaalsContact C-N 3.33Å; S20-V22 PolarHBondContact O-N 3.4Å; S20-A23 PolarHBondContact O-N 3.3Å; S20-G24 PolarHBondContact O-N 3.43Å; S20-T25 WeakPolarHBondContact CA-O 3.32Å; S20-T25 WeakPolarHBondContact CB-O 3.48Å; S20-V27 PolarHBondContact OG-N 3.39Å
21K98.4Very high98.5Very high184 Ų18443.6 Ų43.680%0.824%0.244SC*.Hα-helixtrans-62.3-39.6175.4-176.1179.3178.2-178.10112.2M17 A18 L19M17-K21 WeakPolarHBondContact O-CB 3.27Å; M17-K21 PolarHBondContact O-N 3.15Å; A18-K21 PolarHBondContact O-N 3.45Å; L19-K21 VanDerWaalsContact C-N 3.3Å; L19-K21 PolarHBondContact O-N 3.45Å
22V98Very high98.5Very high46 Ų4643.2 Ų43.228%0.27924%0.241SC..Hα-helixtrans-71.4-40.1178.1178.10000111.4A18 L19 S20 V277 Y278 Q283A18-V22 PolarHBondContact O-N 3.4Å; L19-V22 PolarHBondContact O-N 3.11Å; S20-V22 VanDerWaalsContact C-N 3.33Å; S20-V22 PolarHBondContact O-N 3.4Å; V22-V277 HydrophobicContact CB-CG1 3.9Å; V22-V277 HydrophobicContact CG1-CG1 3.83Å; V22-Y278 HydrophobicContact CG1-CD1 4.47Å; V22-Q283 PolarHBondContact O-NE2 3.32Å
23A97.7Very high98.5Very high1 Ų140.9 Ų40.91%0.00823%0.227CC..Hα-helixtrans-77.5-27.4-177.300000113.6L19 S20 T25 V27 V277 Q283L19-A23 WeakPolarHBondContact O-CB 3.37Å; L19-A23 PolarHBondContact O-N 2.91Å; S20-A23 PolarHBondContact O-N 3.3Å; A23-T25 VanDerWaalsContact C-N 3.27Å; A23-T25 HydrophobicContact CB-CG2 3.85Å; A23-V27 HydrophobicContact CB-CG2 3.57Å; A23-V277 HydrophobicContact CB-CG1 3.94Å; A23-V277 HydrophobicContact CB-CG2 4.4Å; A23-Q283 PolarHBondContact O-NE2 3.13Å; A23-Q283 VanDerWaalsContact O-NE2 3.12Å
24G97.3Very high98.5Very high73 Ų7341.7 Ų41.775%0.75324%0.24SC*.THydrogen-bonded Turntrans72.819.8-171.400000113.7S20S20-G24 PolarHBondContact O-N 3.43Å
25T97.8Very high98.5Very high15 Ų1537.5 Ų37.59%0.09223%0.225CC..SBendtrans-152.7161177176.80000108.2S20 A23 V27 L295S20-T25 WeakPolarHBondContact CA-O 3.32Å; S20-T25 WeakPolarHBondContact CB-O 3.48Å; A23-T25 VanDerWaalsContact C-N 3.27Å; A23-T25 HydrophobicContact CB-CG2 3.85Å; T25-V27 PolarHBondContact O-N 3.39Å; T25-L295 HydrophobicContact CG2-CB 4.36Å; T25-L295 HydrophobicContact CG2-CD2 4.2Å; T25-L295 PolarHBondContact OG1-O 3.25Å
26S98.4Very high98.5Very high50 Ų5035.5 Ų35.535%0.3522%0.217SC..EExtended strand (participates in β ladder)trans-62.6127.6176.7-64.10000111.1S297 L298S26-S297 CarbonylContact O-C 3.57Å; S26-S297 VanDerWaalsContact O-CA 3.27Å; S26-S297 WeakPolarHBondContact O-CA 3.36Å; S26-L298 PolarHBondContact O-N 3.42Å
27V98.9Very high98.4Very high0 Ų035.8 Ų35.80%022%0.218CC..EExtended strand (participates in β ladder)trans-115.3116.7178.9178.80000110.3S16 L19 S20 A23 T25 L29 V277 L298 V300S16-V27 PolarHBondContact N-O 3.05Å; L19-V27 HydrophobicContact CB-CB 3.99Å; L19-V27 HydrophobicContact CB-CG1 3.81Å; L19-V27 HydrophobicContact CB-CG2 4.28Å; L19-V27 HydrophobicContact CD2-CG1 4.32Å; S20-V27 PolarHBondContact OG-N 3.39Å; A23-V27 HydrophobicContact CB-CG2 3.57Å; T25-V27 PolarHBondContact O-N 3.39Å; V27-L29 HydrophobicContact CG1-CD2 3.9Å; V27-V277 HydrophobicContact CG1-CG2 4.5Å; V27-V277 HydrophobicContact CG2-CG2 4.28Å; V27-L298 CarbonylContact C-O 3.5Å; V27-L298 WeakPolarHBondContact CA-O 3.32Å; V27-L298 HydrophobicContact CG2-CB 4.42Å; V27-L298 HydrophobicContact CG2-CD2 4.32Å; V27-V300 HydrophobicContact CG1-CG2 3.93Å
28Y98.9Very high98.3Very high59 Ų5931 Ų3123%0.23120%0.201CC..EExtended strand (participates in β ladder)trans-99.6131.6173.2-64.1-60.7000111I13 R14 D15 L156 L298 V299 V300I13-Y28 HydrophobicContact CG2-CD1 4.19Å; I13-Y28 HydrophobicContact CG2-CG 4.23Å; R14-Y28 CarbonylContact O-C 3.48Å; R14-Y28 VanDerWaalsContact O-CA 3.29Å; R14-Y28 WeakPolarHBondContact O-CA 3.45Å; D15-Y28 HydrophobicContact CB-CD1 4.05Å; D15-Y28 HydrophobicContact CB-CE1 3.83Å; Y28-L156 HydrophobicContact CD2-CD2 3.86Å; Y28-L156 HydrophobicContact CE2-CD2 4.21Å; Y28-L156 HydrophobicContact CG-CD2 4.07Å; Y28-L298 PolarHBondContact N-O 2.9Å; Y28-V299 CarbonylContact O-C 3.48Å; Y28-V299 VanDerWaalsContact O-CA 3.27Å; Y28-V299 WeakPolarHBondContact O-CA 3.38Å; Y28-V300 PolarHBondContact O-N 3.34Å
29L98.9Very high98.3Very high0 Ų029.4 Ų29.40%019%0.188CC..EExtended strand (participates in β ladder)trans-104.9115.2-180-54.7178.5000110.1I13 R14 L19 V27 M31 F258 E262 V300 V302I13-L29 CarbonylContact C-O 3.52Å; I13-L29 VanDerWaalsContact CA-O 3.3Å; I13-L29 WeakPolarHBondContact CA-O 3.27Å; R14-L29 HydrophobicContact CB-CB 4.3Å; R14-L29 PolarHBondContact N-O 2.95Å; R14-L29 PolarHBondContact O-N 2.62Å; L19-L29 HydrophobicContact CD2-CD2 3.82Å; V27-L29 HydrophobicContact CG1-CD2 3.9Å; L29-M31 HydrophobicContact CB-SD 3.56Å; L29-M31 VanDerWaalsContact CB-SD 3.56Å; L29-M31 HydrophobicContact CD1-SD 4.37Å; L29-M31 PolarHBondContact O-N 2.76Å; L29-F258 HydrophobicContact CD1-CE2 3.71Å; L29-F258 HydrophobicContact CD1-CZ 4.07Å; L29-E262 HydrophobicContact CD1-CG 3.71Å; L29-V300 HydrophobicContact CD2-CB 3.96Å; L29-V300 HydrophobicContact CD2-CG2 4.38Å; L29-V302 HydrophobicContact CB-CG2 3.89Å; L29-V302 HydrophobicContact CD2-CG2 4.2Å; L29-V302 HydrophobicContact CG-CG2 4.5Å
30K98.9Very high98.3Very high2 Ų230.5 Ų30.51%0.00919%0.193CC..EExtended strand (participates in β ladder)trans-83.2103.8171.8-177.555.9173.5176.30109.1T11 I13 D32 I148 E151 L152 V299 V300 I301 V302T11-K30 PolarHBondContact O-NZ 2.67Å; T11-K30 WeakPolarHBondContact OG1-CE 3.22Å; T11-K30 PolarHBondContact OG1-NZ 3.26Å; I13-K30 HydrophobicContact CG1-CD 3.93Å; K30-D32 VanDerWaalsContact C-N 3.25Å; K30-D32 PolarHBondContact O-N 2.81Å; K30-I148 HydrophobicContact CD-CG1 4.41Å; K30-I148 HydrophobicContact CG-CD1 3.85Å; K30-I148 HydrophobicContact CG-CG1 3.75Å; K30-E151 VanDerWaalsContact CE-OE2 3.27Å; K30-E151 WeakPolarHBondContact CE-OE2 3.16Å; K30-E151 IonicContact NZ-OE2 3.65Å; K30-E151 PolarHBondContact NZ-OE2 3.42Å; K30-L152 HydrophobicContact CB-CD2 4.35Å; K30-L152 HydrophobicContact CD-CD2 4.15Å; K30-L152 HydrophobicContact CG-CD2 4.39Å; K30-V299 HydrophobicContact CB-CG1 4.21Å; K30-V300 PolarHBondContact N-O 2.88Å; K30-I301 HydrophobicContact CB-CD1 3.7Å; K30-I301 HydrophobicContact CG-CD1 4.03Å; K30-V302 WeakPolarHBondContact O-CB 3.44Å; K30-V302 PolarHBondContact O-N 3.29Å
31M98.8Very high98.3Very high3 Ų331.3 Ų31.32%0.01519%0.194CC..  trans-79.959.3-165.3-59.1-53.9-66.300113.7T11 P12 R14 L29 S33 A34 F258 I264 V302T11-M31 VanDerWaalsContact CB-O 3.3Å; T11-M31 WeakPolarHBondContact CB-O 3.36Å; T11-M31 WeakPolarHBondContact CG2-O 3.27Å; P12-M31 HydrophobicContact CB-CB 4.49Å; P12-M31 HydrophobicContact CB-CG 4.41Å; P12-M31 PolarHBondContact O-N 2.98Å; R14-M31 HydrophobicContact CG-CG 3.84Å; R14-M31 HydrophobicContact CG-SD 4.27Å; L29-M31 HydrophobicContact CB-SD 3.56Å; L29-M31 VanDerWaalsContact CB-SD 3.56Å; L29-M31 HydrophobicContact CD1-SD 4.37Å; L29-M31 PolarHBondContact O-N 2.76Å; M31-S33 PolarHBondContact O-N 3.43Å; M31-A34 WeakPolarHBondContact O-CB 3.44Å; M31-A34 PolarHBondContact O-N 2.96Å; M31-F258 HydrophobicContact CE-CZ 4.43Å; M31-I264 HydrophobicContact CE-CG1 3.71Å; M31-V302 HydrophobicContact CE-CG1 4.47Å; M31-V302 HydrophobicContact SD-CB 4.36Å; M31-V302 HydrophobicContact SD-CG2 3.98Å
32D98.8Very high98.4Very high0 Ų022.5 Ų22.50%016%0.156CC..G310 helixtrans-72.4-5.2178.2-96.314.9000114.5T11 K30 A34 Q35 S39 F40 R43 I148 V302T11-D32 WeakPolarHBondContact CG2-OD1 3.26Å; T11-D32 PolarHBondContact OG1-OD1 2.89Å; K30-D32 VanDerWaalsContact C-N 3.25Å; K30-D32 PolarHBondContact O-N 2.81Å; D32-A34 PolarHBondContact O-N 3.33Å; D32-Q35 HydrophobicContact CB-CG 4.25Å; D32-Q35 WeakPolarHBondContact O-CB 2.8Å; D32-Q35 WeakPolarHBondContact O-CG 3.25Å; D32-Q35 PolarHBondContact O-N 3.29Å; D32-Q35 PolarHBondContact OD1-NE2 3.07Å; D32-S39 CarbonylContact O-C 3.51Å; D32-S39 VanDerWaalsContact O-C 3.31Å; D32-S39 WeakPolarHBondContact O-CA 3.47Å; D32-F40 HydrophobicContact CB-CB 3.82Å; D32-F40 PolarHBondContact O-N 2.9Å; D32-F40 WeakPolarHBondContact OD2-CA 3.36Å; D32-F40 WeakPolarHBondContact OD2-CB 3.37Å; D32-R43 IonicContact OD1-CZ 3.26Å; D32-R43 IonicContact OD1-NE 2.96Å; D32-R43 PolarHBondContact OD1-NE 2.92Å; D32-R43 IonicContact OD1-NH2 2.97Å; D32-R43 PolarHBondContact OD1-NH2 3.26Å; D32-R43 WeakPolarHBondContact OD2-CD 3.33Å; D32-R43 IonicContact OD2-CZ 3.28Å; D32-R43 IonicContact OD2-NE 3.16Å; D32-R43 PolarHBondContact OD2-NE 3.02Å; D32-R43 IonicContact OD2-NH2 3.99Å; D32-I148 WeakPolarHBondContact OD2-CD1 3.49Å; D32-V302 CarbonylContact C-O 3.59Å; D32-V302 WeakPolarHBondContact CA-O 3.25Å; D32-V302 WeakPolarHBondContact CB-O 3.38Å; D32-V302 PolarHBondContact N-O 3.4Å
33S98.5Very high98.4Very high25 Ų2520.4 Ų20.418%0.17514%0.143CC..G310 helixtrans-60.4-24.116055.20000113.3M31 Q35 V302M31-S33 PolarHBondContact O-N 3.43Å; S33-Q35 VanDerWaalsContact C-N 3.3Å; S33-V302 PolarHBondContact N-O 3.24Å
34A98.6Very high98.5Very high61 Ų6120.3 Ų20.350%0.50414%0.143SC..G310 helixtrans-86.84.8177.800000113.8T11 M31 D32T11-A34 HydrophobicContact CG2-CB 4.36Å; M31-A34 WeakPolarHBondContact O-CB 3.44Å; M31-A34 PolarHBondContact O-N 2.96Å; D32-A34 PolarHBondContact O-N 3.33Å
35Q98.8Very high98.5Very high6 Ų616.9 Ų16.93%0.02811%0.107CC..SBendtrans-65152.8175.3-76.4-64.8-7.800111.8V9 T11 D32 S33 S37 G38 S39 I42V9-Q35 PolarHBondContact O-NE2 3.46Å; T11-Q35 HydrophobicContact CG2-CG 3.94Å; D32-Q35 HydrophobicContact CB-CG 4.25Å; D32-Q35 WeakPolarHBondContact O-CB 2.8Å; D32-Q35 WeakPolarHBondContact O-CG 3.25Å; D32-Q35 PolarHBondContact O-N 3.29Å; D32-Q35 PolarHBondContact OD1-NE2 3.07Å; S33-Q35 VanDerWaalsContact C-N 3.3Å; Q35-S37 VanDerWaalsContact C-N 3.25Å; Q35-S37 PolarHBondContact O-N 3.29Å; Q35-S37 VanDerWaalsContact O-N 3.11Å; Q35-G38 WeakPolarHBondContact O-CA 3.42Å; Q35-G38 PolarHBondContact O-N 3.49Å; Q35-S39 WeakPolarHBondContact CB-O 3.43Å; Q35-I42 HydrophobicContact CB-CG2 3.7Å; Q35-I42 HydrophobicContact CG-CG2 3.92Å
36P98.2Very high98.6Very high45 Ų4516.2 Ų16.229%0.29210%0.103SC..THydrogen-bonded Turntrans-56.1-33.2-175.4-29.234000115.6V9 G38 Y74V9-P36 HydrophobicContact CG1-CG 3.93Å; P36-G38 VanDerWaalsContact C-N 3.34Å; P36-Y74 HydrophobicContact CB-CD1 4.34Å; P36-Y74 HydrophobicContact CB-CD2 4.21Å; P36-Y74 HydrophobicContact CB-CE1 3.66Å; P36-Y74 HydrophobicContact CB-CE2 3.51Å; P36-Y74 VanDerWaalsContact CB-OH 3.29Å; P36-Y74 WeakPolarHBondContact CB-OH 3.27Å; P36-Y74 HydrophobicContact CG-CE1 4.32Å
37S97.2Very high98.6Very high6 Ų616.7 Ų16.74%0.04210%0.1CC..THydrogen-bonded Turntrans-93.312176.977.60000113.5Q35 S39Q35-S37 VanDerWaalsContact C-N 3.25Å; Q35-S37 PolarHBondContact O-N 3.29Å; Q35-S37 VanDerWaalsContact O-N 3.11Å; S37-S39 PolarHBondContact O-N 2.92Å
38G97.2Very high98.6Very high24 Ų2416.9 Ų16.925%0.24710%0.1CC..SBendtrans79.36179.700000116.2Q35 P36 G305Q35-G38 WeakPolarHBondContact O-CA 3.42Å; Q35-G38 PolarHBondContact O-N 3.49Å; P36-G38 VanDerWaalsContact C-N 3.34Å; G38-G305 PolarHBondContact O-N 3Å
39S98.6Very high98.6Very high1 Ų114.1 Ų14.11%0.0079%0.089CC..BIsolated β-bridgetrans-159.5168.4175.6660000112.7D32 Q35 S37 K41 C303D32-S39 CarbonylContact O-C 3.51Å; D32-S39 VanDerWaalsContact O-C 3.31Å; D32-S39 WeakPolarHBondContact O-CA 3.47Å; Q35-S39 WeakPolarHBondContact CB-O 3.43Å; S37-S39 PolarHBondContact O-N 2.92Å; S39-K41 PolarHBondContact O-N 2.96Å; S39-K41 WeakPolarHBondContact OG-CB 3.09Å; S39-K41 PolarHBondContact OG-N 3.4Å; S39-C303 VanDerWaalsContact CA-O 3.26Å; S39-C303 WeakPolarHBondContact CA-O 3.32Å; S39-C303 WeakPolarHBondContact CB-O 3.47Å
40F98.8Very high98.5Very high23 Ų2316.1 Ų16.110%0.10110%0.098CC..THydrogen-bonded Turntrans-53.7-18.8173.981.5-81.2000114.6D32 I42 R43 H145 L172 C303D32-F40 HydrophobicContact CB-CB 3.82Å; D32-F40 PolarHBondContact O-N 2.9Å; D32-F40 WeakPolarHBondContact OD2-CA 3.36Å; D32-F40 WeakPolarHBondContact OD2-CB 3.37Å; F40-I42 PolarHBondContact O-N 3.24Å; F40-I42 VanDerWaalsContact O-N 3.12Å; F40-R43 WeakPolarHBondContact O-CB 2.96Å; F40-R43 WeakPolarHBondContact O-CG 3.5Å; F40-R43 PolarHBondContact O-N 3.48Å; F40-H145 AromaticContact CD2-CE1 3.32Å; F40-H145 WeakPolarHBondContact CD2-CE1 3.39Å; F40-H145 AromaticContact CD2-ND1 3.59Å; F40-H145 AromaticContact CD2-NE2 3.91Å; F40-H145 AromaticContact CE2-CE1 3.41Å; F40-H145 VanDerWaalsContact CE2-CE1 3.41Å; F40-H145 WeakPolarHBondContact CE2-CE1 3.23Å; F40-H145 AromaticContact CE2-ND1 3.97Å; F40-H145 AromaticContact CE2-NE2 3.51Å; F40-H145 PolarHBondContact O-CE1 2.9Å; F40-L172 HydrophobicContact CD1-CD2 4.48Å; F40-L172 HydrophobicContact CD2-CB 4.28Å; F40-L172 HydrophobicContact CD2-CD1 3.68Å; F40-L172 HydrophobicContact CD2-CD2 4.27Å; F40-L172 HydrophobicContact CD2-CG 4.28Å; F40-L172 HydrophobicContact CE1-CD2 4.26Å; F40-L172 HydrophobicContact CE2-CB 3.54Å; F40-L172 HydrophobicContact CE2-CD1 3.86Å; F40-L172 HydrophobicContact CE2-CD2 4.09Å; F40-L172 HydrophobicContact CE2-CG 4.01Å; F40-L172 HydrophobicContact CG-CD1 4.35Å; F40-L172 HydrophobicContact CG-CD2 4.46Å; F40-L172 HydrophobicContact CZ-CB 3.81Å; F40-L172 HydrophobicContact CZ-CD2 4.04Å; F40-L172 HydrophobicContact CZ-CG 4.37Å; F40-C303 HydrophobicContact CD1-CB 3.58Å; F40-C303 HydrophobicContact CE1-CB 3.96Å; F40-C303 HydrophobicContact CG-CB 4.48Å; F40-C303 PolarHBondContact N-O 3.29Å
41K98.7Very high98.5Very high33 Ų3322 Ų2214%0.14312%0.12CC..Hα-helixtrans-54.8-34.1-173.6-72.8-59.8-172.5101.40113S39 R43 G44 I45 N67 A71 P135S39-K41 PolarHBondContact O-N 2.96Å; S39-K41 WeakPolarHBondContact OG-CB 3.09Å; S39-K41 PolarHBondContact OG-N 3.4Å; K41-R43 PolarHBondContact O-N 3.11Å; K41-G44 PolarHBondContact O-N 2.97Å; K41-I45 HydrophobicContact CB-CD1 4.24Å; K41-I45 HydrophobicContact CD-CD1 4.44Å; K41-I45 VanDerWaalsContact O-CB 3.31Å; K41-I45 WeakPolarHBondContact O-CB 3.29Å; K41-I45 PolarHBondContact O-N 3.4Å; K41-N67 HydrophobicContact CG-CB 3.89Å; K41-A71 HydrophobicContact CB-CB 3.7Å; K41-P135 PolarHBondContact NZ-O 3.25Å
42I98.8Very high98.5Very high0 Ų026 Ų260%014%0.136CC..Hα-helixtrans-63.2-20.8179.1-169.355.1000113.9L7 H8 Q35 F40 G46 A71 Y74 A75L7-I42 HydrophobicContact CB-CD1 4.14Å; L7-I42 HydrophobicContact CB-CG1 4.32Å; H8-I42 HydrophobicContact CB-CG2 3.89Å; Q35-I42 HydrophobicContact CB-CG2 3.7Å; Q35-I42 HydrophobicContact CG-CG2 3.92Å; F40-I42 PolarHBondContact O-N 3.24Å; F40-I42 VanDerWaalsContact O-N 3.12Å; I42-G46 WeakPolarHBondContact O-CA 3.4Å; I42-G46 PolarHBondContact O-N 3.31Å; I42-A71 HydrophobicContact CB-CB 4.36Å; I42-A71 HydrophobicContact CD1-CB 4.48Å; I42-Y74 HydrophobicContact CD1-CD1 3.55Å; I42-Y74 HydrophobicContact CD1-CE1 4.1Å; I42-Y74 HydrophobicContact CG1-CD1 4Å; I42-Y74 HydrophobicContact CG1-CE1 4.18Å; I42-A75 HydrophobicContact CD1-CB 3.99Å
43R98.8Very high98.4Very high1 Ų126.7 Ų26.70%0.00414%0.141CC..Hα-helixtrans-61.7-62.9175.1-63.5-179.2176.7-78.9-2.5111.2H8 T11 D32 F40 K41 H47 G144 S147 E151H8-R43 HydrophobicContact CB-CB 4.34Å; H8-R43 HydrophobicContact CB-CG 3.75Å; H8-R43 PolarHBondContact CD2-NH1 3.36Å; H8-R43 VanDerWaalsContact CD2-NH1 3.25Å; T11-R43 PolarHBondContact OG1-NH2 3.28Å; T11-R43 VanDerWaalsContact OG1-NH2 3.15Å; D32-R43 IonicContact OD1-CZ 3.26Å; D32-R43 IonicContact OD1-NE 2.96Å; D32-R43 PolarHBondContact OD1-NE 2.92Å; D32-R43 IonicContact OD1-NH2 2.97Å; D32-R43 PolarHBondContact OD1-NH2 3.26Å; D32-R43 WeakPolarHBondContact OD2-CD 3.33Å; D32-R43 IonicContact OD2-CZ 3.28Å; D32-R43 IonicContact OD2-NE 3.16Å; D32-R43 PolarHBondContact OD2-NE 3.02Å; D32-R43 IonicContact OD2-NH2 3.99Å; F40-R43 WeakPolarHBondContact O-CB 2.96Å; F40-R43 WeakPolarHBondContact O-CG 3.5Å; F40-R43 PolarHBondContact O-N 3.48Å; K41-R43 PolarHBondContact O-N 3.11Å; R43-H47 WeakPolarHBondContact O-CB 3.39Å; R43-H47 PolarHBondContact O-N 3.16Å; R43-G144 WeakPolarHBondContact CB-O 3.41Å; R43-S147 PolarHBondContact NH1-OG 3.38Å; R43-E151 IonicContact CZ-OE1 3.82Å; R43-E151 IonicContact CZ-OE2 3.74Å; R43-E151 VanDerWaalsContact NH1-CD 3.27Å; R43-E151 IonicContact NH1-OE1 3.43Å; R43-E151 PolarHBondContact NH1-OE1 2.73Å; R43-E151 IonicContact NH1-OE2 3.65Å; R43-E151 PolarHBondContact NH1-OE2 3.17Å; R43-E151 IonicContact NH2-OE1 3.67Å; R43-E151 PolarHBondContact NH2-OE1 2.99Å; R43-E151 IonicContact NH2-OE2 2.74Å; R43-E151 PolarHBondContact NH2-OE2 3Å
44G98.8Very high98.4Very high0 Ų033.8 Ų33.80%017%0.169CC..Hα-helixtrans-72-50-179.600000113.1K41 G46 H47 F48 I141 H145K41-G44 PolarHBondContact O-N 2.97Å; G44-G46 VanDerWaalsContact C-N 3.35Å; G44-G46 PolarHBondContact O-N 3.12Å; G44-H47 PolarHBondContact O-N 2.81Å; G44-F48 PolarHBondContact O-N 3.41Å; G44-I141 WeakPolarHBondContact CA-O 3.08Å; G44-H145 PolarHBondContact N-CE1 2.78Å; G44-H145 VanDerWaalsContact N-CE1 3.32Å; G44-H145 PolarHBondContact N-ND1 2.66Å
45I98.8Very high98.3Very high0 Ų036 Ų360%017%0.169CC..Hα-helixtrans-67.4-38-178.9-68.3177.4000111K41 H47 F48 C49 A68 A71 A72 I133 I141K41-I45 HydrophobicContact CB-CD1 4.24Å; K41-I45 HydrophobicContact CD-CD1 4.44Å; K41-I45 VanDerWaalsContact O-CB 3.31Å; K41-I45 WeakPolarHBondContact O-CB 3.29Å; K41-I45 PolarHBondContact O-N 3.4Å; I45-H47 VanDerWaalsContact C-N 3.35Å; I45-F48 PolarHBondContact O-N 3.47Å; I45-C49 WeakPolarHBondContact O-CB 3.27Å; I45-C49 PolarHBondContact O-N 3.05Å; I45-C49 PolarHBondContact O-SG 2.88Å; I45-A68 HydrophobicContact CD1-CB 3.52Å; I45-A71 HydrophobicContact CB-CB 4.08Å; I45-A71 HydrophobicContact CD1-CB 4.12Å; I45-A71 HydrophobicContact CG2-CB 4.05Å; I45-A72 HydrophobicContact CG2-CB 4.24Å; I45-I133 HydrophobicContact CG1-CG2 4.4Å; I45-I133 HydrophobicContact CG2-CG2 3.9Å; I45-I141 HydrophobicContact CG1-CD1 4.36Å
46G98.8Very high98.2Very high1 Ų138.4 Ų38.41%0.0120%0.195CC..Hα-helixtrans-64.2-40.3175.400000112.1I42 G44 C49 K50I42-G46 WeakPolarHBondContact O-CA 3.4Å; I42-G46 PolarHBondContact O-N 3.31Å; G44-G46 VanDerWaalsContact C-N 3.35Å; G44-G46 PolarHBondContact O-N 3.12Å; G46-C49 PolarHBondContact O-N 3.31Å; G46-K50 WeakPolarHBondContact O-CB 3.19Å; G46-K50 PolarHBondContact O-N 3.38Å
47H98.8Very high98.2Very high61 Ų6137 Ų3728%0.28219%0.186SC..Hα-helixtrans-62.5-48.1173.6-174.980.6000112.1R43 G44 I45 C49 K50 R51 L140 E143R43-H47 WeakPolarHBondContact O-CB 3.39Å; R43-H47 PolarHBondContact O-N 3.16Å; G44-H47 PolarHBondContact O-N 2.81Å; I45-H47 VanDerWaalsContact C-N 3.35Å; H47-C49 PolarHBondContact O-N 3.36Å; H47-K50 PolarHBondContact O-N 2.83Å; H47-R51 WeakPolarHBondContact O-CB 3.27Å; H47-R51 PolarHBondContact O-N 3.14Å; H47-L140 PolarHBondContact CD2-O 3.1Å; H47-E143 IonicContact CD2-OE2 3.23Å; H47-E143 IonicContact CE1-OE2 2.73Å; H47-E143 IonicContact NE2-OE1 2.67Å; H47-E143 IonicContact NE2-OE2 3.26Å; H47-E143 PolarHBondContact NE2-OE2 3.23Å
48F98.8Very high98.3Very high4 Ų439.4 Ų39.42%0.01821%0.206CC..Hα-helixtrans-54-53.6174.3178.2-82.4000111.3G44 I45 K50 R51 W52 V131 Y132 I133 P134 D138 L140 I141G44-F48 PolarHBondContact O-N 3.41Å; I45-F48 PolarHBondContact O-N 3.47Å; F48-K50 PolarHBondContact O-N 2.86Å; F48-R51 PolarHBondContact O-N 3.4Å; F48-W52 AromaticContact CD1-CD1 3.69Å; F48-W52 AromaticContact CD2-CD1 3.97Å; F48-W52 AromaticContact CD2-NE1 3.92Å; F48-W52 AromaticContact CE1-CD1 3.36Å; F48-W52 HydrophobicContact CE1-CG 4.27Å; F48-W52 AromaticContact CE1-NE1 3.71Å; F48-W52 AromaticContact CE2-CD1 3.67Å; F48-W52 AromaticContact CE2-NE1 3.28Å; F48-W52 VanDerWaalsContact CE2-NE1 3.28Å; F48-W52 AromaticContact CG-CD1 3.97Å; F48-W52 AromaticContact CZ-CD1 3.35Å; F48-W52 HydrophobicContact CZ-CG 4.41Å; F48-W52 AromaticContact CZ-NE1 3.15Å; F48-W52 VanDerWaalsContact O-CD1 3.28Å; F48-W52 PolarHBondContact O-N 2.97Å; F48-V131 HydrophobicContact CE1-CG1 3.74Å; F48-V131 HydrophobicContact CZ-CG1 3.81Å; F48-Y132 WeakPolarHBondContact CZ-O 3.5Å; F48-I133 HydrophobicContact CD1-CG1 4.09Å; F48-I133 HydrophobicContact CD1-CG2 4.22Å; F48-I133 HydrophobicContact CE1-CB 4.21Å; F48-I133 HydrophobicContact CE1-CG1 3.79Å; F48-I133 HydrophobicContact CE1-CG2 4.38Å; F48-P134 HydrophobicContact CE2-CG 4.21Å; F48-D138 HydrophobicContact CD2-CB 4.33Å; F48-D138 HydrophobicContact CE2-CB 4.4Å; F48-D138 WeakPolarHBondContact CE2-OD2 3.43Å; F48-L140 HydrophobicContact CB-CB 4.25Å; F48-L140 HydrophobicContact CD2-CB 4.06Å; F48-L140 HydrophobicContact CD2-CD1 3.96Å; F48-L140 HydrophobicContact CE2-CD1 4.45Å; F48-I141 HydrophobicContact CB-CG1 4.07Å; F48-I141 HydrophobicContact CD2-CG1 4.36Å; F48-I141 HydrophobicContact CG-CG1 4.47Å
49C98.7Very high98.3Very high0 Ų039.5 Ų39.50%020%0.2CC..Hα-helixtrans-62.1-44.2-178.5-64.80000111.1I45 G46 H47 R51 W52 A53 F60 A75 L79 I133I45-C49 WeakPolarHBondContact O-CB 3.27Å; I45-C49 PolarHBondContact O-N 3.05Å; I45-C49 PolarHBondContact O-SG 2.88Å; G46-C49 PolarHBondContact O-N 3.31Å; H47-C49 PolarHBondContact O-N 3.36Å; C49-R51 VanDerWaalsContact C-N 3.33Å; C49-R51 PolarHBondContact O-N 3.22Å; C49-W52 PolarHBondContact O-N 2.79Å; C49-A53 WeakPolarHBondContact O-CB 3.31Å; C49-A53 PolarHBondContact O-N 3.36Å; C49-F60 HydrophobicContact CB-CE1 4.2Å; C49-F60 HydrophobicContact CB-CE2 4.03Å; C49-F60 HydrophobicContact CB-CZ 3.79Å; C49-F60 VanDerWaalsContact O-CZ 3.26Å; C49-F60 WeakPolarHBondContact O-CZ 3.4Å; C49-A75 HydrophobicContact CB-CB 3.87Å; C49-L79 HydrophobicContact CB-CD1 3.82Å; C49-I133 WeakPolarHBondContact SG-CD1 3.38Å
50K98.3Very high98.3Very high43 Ų4339.5 Ų39.519%0.18720%0.2CC..Hα-helixtrans-62.1-41179.1-173175.8-175.91770112S3 G4 E5 G46 H47 F48 K54 L79S3-K50 WeakPolarHBondContact O-CE 3.35Å; S3-K50 PolarHBondContact O-NZ 3.17Å; G4-K50 PolarHBondContact O-NZ 3.11Å; E5-K50 VanDerWaalsContact C-NZ 3.32Å; E5-K50 PolarHBondContact O-NZ 2.81Å; G46-K50 WeakPolarHBondContact O-CB 3.19Å; G46-K50 PolarHBondContact O-N 3.38Å; H47-K50 PolarHBondContact O-N 2.83Å; F48-K50 PolarHBondContact O-N 2.86Å; K50-K54 PolarHBondContact O-N 3.37Å; K50-K54 VanDerWaalsContact O-N 3.08Å; K50-L79 HydrophobicContact CB-CD1 4.49Å; K50-L79 HydrophobicContact CB-CD2 4.45Å; K50-L79 HydrophobicContact CG-CD2 4.3Å
51R98.3Very high98.3Very high125 Ų12538.4 Ų38.447%0.47220%0.195SC..Hα-helixtrans-61.3-48.3176.3-179.859.8164.1-176.1-4.3111.3H47 F48 C49 K54 Q55 L140H47-R51 WeakPolarHBondContact O-CB 3.27Å; H47-R51 PolarHBondContact O-N 3.14Å; F48-R51 PolarHBondContact O-N 3.4Å; C49-R51 VanDerWaalsContact C-N 3.33Å; C49-R51 PolarHBondContact O-N 3.22Å; R51-K54 PolarHBondContact O-N 3.45Å; R51-Q55 WeakPolarHBondContact O-CG 3.35Å; R51-Q55 PolarHBondContact O-N 3.42Å; R51-L140 HydrophobicContact CB-CD1 4.13Å; R51-L140 HydrophobicContact CB-CD2 4.48Å; R51-L140 HydrophobicContact CG-CD1 3.83Å; R51-L140 HydrophobicContact CG-CD2 4.03Å
52W98.4Very high98.3Very high88 Ų8836.9 Ų36.933%0.33319%0.189SC..Hα-helixtrans-69.4-36.8179.7-82.1106000113.2F48 C49 K54 Q55 G56 C57 F60 V131F48-W52 AromaticContact CD1-CD1 3.69Å; F48-W52 AromaticContact CD2-CD1 3.97Å; F48-W52 AromaticContact CD2-NE1 3.92Å; F48-W52 AromaticContact CE1-CD1 3.36Å; F48-W52 HydrophobicContact CE1-CG 4.27Å; F48-W52 AromaticContact CE1-NE1 3.71Å; F48-W52 AromaticContact CE2-CD1 3.67Å; F48-W52 AromaticContact CE2-NE1 3.28Å; F48-W52 VanDerWaalsContact CE2-NE1 3.28Å; F48-W52 AromaticContact CG-CD1 3.97Å; F48-W52 AromaticContact CZ-CD1 3.35Å; F48-W52 HydrophobicContact CZ-CG 4.41Å; F48-W52 AromaticContact CZ-NE1 3.15Å; F48-W52 VanDerWaalsContact O-CD1 3.28Å; F48-W52 PolarHBondContact O-N 2.97Å; C49-W52 PolarHBondContact O-N 2.79Å; W52-K54 VanDerWaalsContact C-N 3.31Å; W52-K54 PolarHBondContact O-N 3.05Å; W52-Q55 VanDerWaalsContact CE3-OE1 3.31Å; W52-Q55 CarbonylContact O-C 3.32Å; W52-Q55 WeakPolarHBondContact O-CA 3.28Å; W52-Q55 WeakPolarHBondContact O-CB 3.31Å; W52-Q55 PolarHBondContact O-N 3.36Å; W52-G56 PolarHBondContact O-N 2.88Å; W52-C57 HydrophobicContact CB-CB 4.07Å; W52-C57 WeakPolarHBondContact O-CB 3.49Å; W52-C57 PolarHBondContact O-N 2.81Å; W52-F60 HydrophobicContact CB-CE1 3.87Å; W52-F60 HydrophobicContact CB-CZ 4.17Å; W52-V131 HydrophobicContact CB-CG1 4.34Å; W52-V131 HydrophobicContact CB-CG2 4.39Å; W52-V131 HydrophobicContact CD2-CB 4.42Å; W52-V131 HydrophobicContact CD2-CG1 3.7Å; W52-V131 HydrophobicContact CD2-CG2 3.84Å; W52-V131 HydrophobicContact CE3-CG1 4.21Å; W52-V131 HydrophobicContact CE3-CG2 3.5Å; W52-V131 HydrophobicContact CG-CG1 3.75Å; W52-V131 HydrophobicContact CG-CG2 4.25Å; W52-V131 HydrophobicContact CZ2-CG1 4.48Å; W52-V131 HydrophobicContact CZ3-CG2 4.02Å
53A97.8Very high98.1Very high14 Ų1437.3 Ų37.312%0.11619%0.192CC..Hα-helixtrans-60.8-41.5172.900000111.4M2 C49 Q55 G56 F60 L79 V81M2-A53 HydrophobicContact CE-CB 4.12Å; M2-A53 HydrophobicContact SD-CB 4.28Å; C49-A53 WeakPolarHBondContact O-CB 3.31Å; C49-A53 PolarHBondContact O-N 3.36Å; A53-Q55 PolarHBondContact O-N 2.85Å; A53-G56 PolarHBondContact O-N 2.89Å; A53-F60 HydrophobicContact CB-CZ 4.41Å; A53-L79 HydrophobicContact CB-CB 4.45Å; A53-L79 HydrophobicContact CB-CD1 3.96Å; A53-L79 HydrophobicContact CB-CD2 4.4Å; A53-V81 HydrophobicContact CB-CG2 4.15Å
54K96.7Very high97.6Very high173 Ų17338.6 Ų38.675%0.75220%0.201SC*.Hα-helixtrans-63.1-26.1173.2-170.3176.4-179.7177.30113K50 R51 W52 G56K50-K54 PolarHBondContact O-N 3.37Å; K50-K54 VanDerWaalsContact O-N 3.08Å; R51-K54 PolarHBondContact O-N 3.45Å; W52-K54 VanDerWaalsContact C-N 3.31Å; W52-K54 PolarHBondContact O-N 3.05Å; K54-G56 VanDerWaalsContact C-N 3.28Å
55Q96.9Very high96.7Very high108 Ų10839.6 Ų39.651%0.50521%0.209SC..THydrogen-bonded Turntrans-85.65.1175-68.8178-13.100113.4R51 W52 A53R51-Q55 WeakPolarHBondContact O-CG 3.35Å; R51-Q55 PolarHBondContact O-N 3.42Å; W52-Q55 VanDerWaalsContact CE3-OE1 3.31Å; W52-Q55 CarbonylContact O-C 3.32Å; W52-Q55 WeakPolarHBondContact O-CA 3.28Å; W52-Q55 WeakPolarHBondContact O-CB 3.31Å; W52-Q55 PolarHBondContact O-N 3.36Å; A53-Q55 PolarHBondContact O-N 2.85Å
56G97.4Very high96.2Very high57 Ų5740.8 Ų40.859%0.58822%0.222SC*.THydrogen-bonded Turntrans85.525.5178.600000114.2W52 A53 K54 A58W52-G56 PolarHBondContact O-N 2.88Å; A53-G56 PolarHBondContact O-N 2.89Å; K54-G56 VanDerWaalsContact C-N 3.28Å; G56-A58 PolarHBondContact O-N 3.23Å
57C97.8Very high96.1Very high14 Ų1441.6 Ų41.610%0.09523%0.226CC..  trans-53.1125.6168.3178.60000110.3W52 H59 F60 V131W52-C57 HydrophobicContact CB-CB 4.07Å; W52-C57 WeakPolarHBondContact O-CB 3.49Å; W52-C57 PolarHBondContact O-N 2.81Å; C57-H59 PolarHBondContact SG-O 2.94Å; C57-H59 VanDerWaalsContact SG-O 3.38Å; C57-F60 HydrophobicContact CB-CE1 4.21Å; C57-F60 HydrophobicContact CB-CZ 4.1Å; C57-F60 WeakPolarHBondContact SG-CE1 3.48Å; C57-V131 HydrophobicContact CB-CG2 3.95Å; C57-V131 VanDerWaalsContact SG-CG2 3.5Å
58A98.3Very high96Very high57 Ų5738.7 Ų38.747%0.47121%0.213SC..  trans-92.5-25.4-18000000112.4G56 P82 G129G56-A58 PolarHBondContact O-N 3.23Å; A58-P82 WeakPolarHBondContact O-CD 3.31Å; A58-G129 PolarHBondContact N-O 3.49Å
59H98.8Very high95.9Very high27 Ų2738.5 Ų38.513%0.12521%0.212CC..EExtended strand (participates in β ladder)trans-159.6136.1-177.6-153.8115.8000111.4C57 P82 T84 G129 W130 V131C57-H59 PolarHBondContact SG-O 2.94Å; C57-H59 VanDerWaalsContact SG-O 3.38Å; H59-P82 WeakPolarHBondContact CA-O 3.44Å; H59-P82 VanDerWaalsContact CE1-CB 3.44Å; H59-P82 WeakPolarHBondContact CE1-CB 3.37Å; H59-P82 WeakPolarHBondContact ND1-CB 3.17Å; H59-T84 PolarHBondContact NE2-N 3.19Å; H59-T84 PolarHBondContact NE2-OG1 3.47Å; H59-G129 PolarHBondContact N-O 3.5Å; H59-W130 VanDerWaalsContact CB-CD1 3.48Å; H59-W130 HydrophobicContact CB-CD2 3.71Å; H59-W130 HydrophobicContact CB-CE3 4.5Å; H59-W130 HydrophobicContact CB-CG 3.67Å; H59-W130 HydrophobicContact CB-CZ2 4.28Å; H59-W130 AromaticContact CE1-CZ2 3.99Å; H59-W130 AromaticContact CG-CD2 3.95Å; H59-W130 AromaticContact CG-CE2 3.61Å; H59-W130 AromaticContact CG-CZ2 3.81Å; H59-W130 AromaticContact CG-NE1 3.88Å; H59-W130 AromaticContact ND1-CE2 3.89Å; H59-W130 AromaticContact ND1-CZ2 3.7Å; H59-W130 CarbonylContact O-C 3.36Å; H59-W130 VanDerWaalsContact O-CA 3.27Å; H59-W130 WeakPolarHBondContact O-CA 3.49Å; H59-V131 PolarHBondContact O-N 3.25Å
60F98.8Very high95.8Very high1 Ų139.3 Ų39.30%0.00422%0.216CC..EExtended strand (participates in β ladder)trans-96136.5174.2-73.5-60.2000112.2C49 W52 A53 C57 A76 L79 V81 P82 A83 T84 V131 I133C49-F60 HydrophobicContact CB-CE1 4.2Å; C49-F60 HydrophobicContact CB-CE2 4.03Å; C49-F60 HydrophobicContact CB-CZ 3.79Å; C49-F60 VanDerWaalsContact O-CZ 3.26Å; C49-F60 WeakPolarHBondContact O-CZ 3.4Å; W52-F60 HydrophobicContact CB-CE1 3.87Å; W52-F60 HydrophobicContact CB-CZ 4.17Å; A53-F60 HydrophobicContact CB-CZ 4.41Å; C57-F60 HydrophobicContact CB-CE1 4.21Å; C57-F60 HydrophobicContact CB-CZ 4.1Å; C57-F60 WeakPolarHBondContact SG-CE1 3.48Å; F60-A76 HydrophobicContact CD2-CB 3.96Å; F60-L79 HydrophobicContact CE2-CD1 4.33Å; F60-V81 HydrophobicContact CD2-CB 3.97Å; F60-V81 HydrophobicContact CD2-CG1 3.66Å; F60-V81 HydrophobicContact CE2-CB 3.8Å; F60-V81 HydrophobicContact CE2-CG1 3.72Å; F60-V81 HydrophobicContact CE2-CG2 4.19Å; F60-P82 PolarHBondContact N-O 3.21Å; F60-A83 HydrophobicContact CB-CB 4.29Å; F60-A83 CarbonylContact O-C 3.58Å; F60-A83 VanDerWaalsContact O-CA 3.28Å; F60-A83 WeakPolarHBondContact O-CA 3.23Å; F60-T84 PolarHBondContact O-N 3.27Å; F60-V131 HydrophobicContact CD1-CB 4.17Å; F60-V131 HydrophobicContact CE1-CB 4.26Å; F60-V131 HydrophobicContact CE1-CG1 4.45Å; F60-I133 HydrophobicContact CB-CD1 3.63Å; F60-I133 HydrophobicContact CB-CG1 4.36Å; F60-I133 HydrophobicContact CD1-CD1 3.69Å; F60-I133 HydrophobicContact CD1-CG1 3.81Å; F60-I133 HydrophobicContact CG-CD1 3.77Å; F60-I133 HydrophobicContact CG-CG1 4.38Å
61V98.6Very high95.8Very high0 Ų037.2 Ų37.20%021%0.207CC..EExtended strand (participates in β ladder)trans-126.1131.4172.264.60000111T84 V86 A120 L123 A124 W130 V131 Y132 I133V61-T84 VanDerWaalsContact CA-O 3.29Å; V61-T84 WeakPolarHBondContact CA-O 3.48Å; V61-V86 HydrophobicContact CG2-CG2 3.93Å; V61-A120 WeakPolarHBondContact CG1-O 3.27Å; V61-A120 HydrophobicContact CG2-CB 3.85Å; V61-L123 HydrophobicContact CG2-CB 4.28Å; V61-L123 HydrophobicContact CG2-CD1 4.09Å; V61-A124 HydrophobicContact CG1-CB 3.79Å; V61-W130 HydrophobicContact CB-CE3 4.28Å; V61-W130 HydrophobicContact CG1-CE3 4.46Å; V61-V131 PolarHBondContact N-O 3.23Å; V61-Y132 HydrophobicContact CG1-CD2 4.41Å; V61-Y132 CarbonylContact O-C 3.59Å; V61-Y132 WeakPolarHBondContact O-CA 3.3Å; V61-I133 PolarHBondContact O-N 2.98Å
62C97.8Very high95.9Very high0 Ų031.3 Ų31.30%019%0.185CC..EExtended strand (participates in β ladder)trans-133.7142.6178.6-171.90000110A72 T84 I85 V86 I133C62-A72 HydrophobicContact CB-CB 4.08Å; C62-T84 PolarHBondContact N-O 2.99Å; C62-I85 HydrophobicContact CB-CD1 3.88Å; C62-I85 CarbonylContact O-C 3.58Å; C62-I85 WeakPolarHBondContact O-CA 3.16Å; C62-V86 PolarHBondContact O-N 3.38Å; C62-I133 HydrophobicContact CB-CB 4.21Å
63S94.4Very high95.9Very high10 Ų1027.2 Ų27.27%0.0717%0.169CC..  trans-101.523.9179.760.40000113.4V86 A116 Y132S63-V86 CarbonylContact C-O 3.35Å; S63-V86 WeakPolarHBondContact CA-O 3.49Å; S63-A116 WeakPolarHBondContact CB-O 3.45Å; S63-Y132 PolarHBondContact OG-OH 3.08Å
64S89.3Confident95.9Very high27 Ų2728.1 Ų28.119%0.18917%0.17CC..  trans-112.7122.5-179.2-1740000110.8G66 G69 I85S64-G66 VanDerWaalsContact C-N 3.25Å; S64-G66 PolarHBondContact OG-N 2.9Å; S64-G69 WeakPolarHBondContact O-CA 3.42Å; S64-I85 WeakPolarHBondContact O-CG2 3.44Å
65A78.5Confident96Very high21 Ų2119.9 Ų19.917%0.17413%0.134CC..SBendtrans-79.5-6.4169.500000113.4V87 T91 T95A65-V87 HydrophobicContact CB-CB 3.97Å; A65-V87 HydrophobicContact CB-CG1 3.56Å; A65-T91 HydrophobicContact CB-CG2 3.64Å; A65-T95 HydrophobicContact CB-CG2 4.47Å; A65-T95 WeakPolarHBondContact O-CG2 3.43Å
66G89Confident96.1Very high26 Ų2614.8 Ų14.827%0.26811%0.111SC..SBendtrans-101-148.5-173.800000113.3S64 A68 G69 M70S64-G66 VanDerWaalsContact C-N 3.25Å; S64-G66 PolarHBondContact OG-N 2.9Å; G66-A68 PolarHBondContact O-N 3.12Å; G66-A68 VanDerWaalsContact O-N 3.14Å; G66-G69 PolarHBondContact O-N 2.76Å; G66-M70 PolarHBondContact O-N 2.8Å
67N95.8Very high96.1Very high17 Ų1717.8 Ų17.89%0.09110%0.104CC..Hα-helixtrans-58.1-30.3-175.9-65.6-39.6000114.5K41 A71 E267 G305 S306K41-N67 HydrophobicContact CG-CB 3.89Å; N67-A71 WeakPolarHBondContact O-CB 3.44Å; N67-A71 PolarHBondContact O-N 3.19Å; N67-A71 VanDerWaalsContact O-N 3.08Å; N67-E267 PolarHBondContact ND2-OE1 3.41Å; N67-E267 PolarHBondContact OD1-OE1 3.45Å; N67-G305 WeakPolarHBondContact ND2-CA 3.32Å; N67-G305 WeakPolarHBondContact OD1-CA 3.5Å; N67-S306 PolarHBondContact OD1-N 3.29Å; N67-S306 PolarHBondContact OD1-OG 2.79Å
68A96.8Very high96.1Very high1 Ų121.4 Ų21.41%0.00812%0.12CC..Hα-helixtrans-70.3-40.5174.200000112.3I45 G66 A71 A72 P135I45-A68 HydrophobicContact CD1-CB 3.52Å; G66-A68 PolarHBondContact O-N 3.12Å; G66-A68 VanDerWaalsContact O-N 3.14Å; A68-A71 PolarHBondContact O-N 3.44Å; A68-A72 WeakPolarHBondContact O-CB 3.28Å; A68-A72 PolarHBondContact O-N 3.34Å; A68-P135 HydrophobicContact CB-CB 3.86Å
69G96.9Very high96.1Very high0 Ų019.5 Ų19.50%010%0.101CC..Hα-helixtrans-63.7-42.6174.700000112.5S64 G66 A72 A73S64-G69 WeakPolarHBondContact O-CA 3.42Å; G66-G69 PolarHBondContact O-N 2.76Å; G69-A72 PolarHBondContact O-N 3.29Å; G69-A73 WeakPolarHBondContact O-CB 3.44Å; G69-A73 PolarHBondContact O-N 3.45Å
70M97.9Very high96.1Very high16 Ų1621.5 Ų21.58%0.07913%0.129CC..Hα-helixtrans-60.8-45.2174.8-70.1-56.8-55.500111.9G66 A73 Y74 R98 L99 E102G66-M70 PolarHBondContact O-N 2.8Å; M70-A73 PolarHBondContact O-N 2.78Å; M70-Y74 VanDerWaalsContact O-CB 3.28Å; M70-Y74 WeakPolarHBondContact O-CB 3.34Å; M70-Y74 PolarHBondContact O-N 2.8Å; M70-R98 HydrophobicContact CE-CB 4.15Å; M70-R98 HydrophobicContact SD-CB 3.98Å; M70-L99 HydrophobicContact CG-CD2 4.22Å; M70-L99 HydrophobicContact SD-CD2 3.49Å; M70-L99 WeakPolarHBondContact SD-CD2 3.39Å; M70-L99 HydrophobicContact SD-CG 3.94Å; M70-E102 HydrophobicContact CE-CG 3.76Å
71A98.6Very high96.1Very high0 Ų022.2 Ų22.20%013%0.134CC..Hα-helixtrans-64.2-39.317600000112.5K41 I42 I45 N67 A68 A75K41-A71 HydrophobicContact CB-CB 3.7Å; I42-A71 HydrophobicContact CB-CB 4.36Å; I42-A71 HydrophobicContact CD1-CB 4.48Å; I45-A71 HydrophobicContact CB-CB 4.08Å; I45-A71 HydrophobicContact CD1-CB 4.12Å; I45-A71 HydrophobicContact CG2-CB 4.05Å; N67-A71 WeakPolarHBondContact O-CB 3.44Å; N67-A71 PolarHBondContact O-N 3.19Å; N67-A71 VanDerWaalsContact O-N 3.08Å; A68-A71 PolarHBondContact O-N 3.44Å; A71-A75 WeakPolarHBondContact O-CB 3.41Å; A71-A75 PolarHBondContact O-N 2.91Å
72A98.6Very high96.1Very high1 Ų125.7 Ų25.71%0.00816%0.156CC..Hα-helixtrans-64.3-48.217600000111.8I45 C62 A68 G69 A75 A76 I85 I133I45-A72 HydrophobicContact CG2-CB 4.24Å; C62-A72 HydrophobicContact CB-CB 4.08Å; A68-A72 WeakPolarHBondContact O-CB 3.28Å; A68-A72 PolarHBondContact O-N 3.34Å; G69-A72 PolarHBondContact O-N 3.29Å; A72-A75 PolarHBondContact O-N 3.29Å; A72-A76 WeakPolarHBondContact O-CB 3.29Å; A72-A76 PolarHBondContact O-N 3.41Å; A72-I85 HydrophobicContact CB-CD1 4.13Å; A72-I133 HydrophobicContact CB-CD1 3.54Å
73A98.5Very high96.1Very high1 Ų126 Ų261%0.00816%0.159CC..Hα-helixtrans-61.7-48.1178.300000111.5G69 M70 A75 A76 R77 I85 L99 E102 A104G69-A73 WeakPolarHBondContact O-CB 3.44Å; G69-A73 PolarHBondContact O-N 3.45Å; M70-A73 PolarHBondContact O-N 2.78Å; A73-A75 PolarHBondContact O-N 3.02Å; A73-A76 PolarHBondContact O-N 3.35Å; A73-R77 PolarHBondContact O-N 3Å; A73-I85 HydrophobicContact CB-CD1 4.48Å; A73-I85 HydrophobicContact CB-CG1 4.48Å; A73-L99 HydrophobicContact CB-CD2 4.44Å; A73-E102 HydrophobicContact CB-CB 3.65Å; A73-E102 HydrophobicContact CB-CG 4.28Å; A73-A104 HydrophobicContact CB-CB 3.7Å
74Y98.6Very high96.3Very high33 Ų3326 Ų2613%0.12916%0.158CC..Hα-helixtrans-58.1-49.3175.2176.3-87.3000111.5P36 I42 M70 A76 R77 Q78P36-Y74 HydrophobicContact CB-CD1 4.34Å; P36-Y74 HydrophobicContact CB-CD2 4.21Å; P36-Y74 HydrophobicContact CB-CE1 3.66Å; P36-Y74 HydrophobicContact CB-CE2 3.51Å; P36-Y74 VanDerWaalsContact CB-OH 3.29Å; P36-Y74 WeakPolarHBondContact CB-OH 3.27Å; P36-Y74 HydrophobicContact CG-CE1 4.32Å; I42-Y74 HydrophobicContact CD1-CD1 3.55Å; I42-Y74 HydrophobicContact CD1-CE1 4.1Å; I42-Y74 HydrophobicContact CG1-CD1 4Å; I42-Y74 HydrophobicContact CG1-CE1 4.18Å; M70-Y74 VanDerWaalsContact O-CB 3.28Å; M70-Y74 WeakPolarHBondContact O-CB 3.34Å; M70-Y74 PolarHBondContact O-N 2.8Å; Y74-A76 VanDerWaalsContact C-N 3.35Å; Y74-A76 PolarHBondContact O-N 3.26Å; Y74-R77 VanDerWaalsContact CD2-NH2 3.33Å; Y74-R77 PolarHBondContact O-N 3.01Å; Y74-Q78 HydrophobicContact CD1-CG 4.06Å; Y74-Q78 HydrophobicContact CE1-CG 3.55Å; Y74-Q78 HydrophobicContact CE2-CG 4.26Å; Y74-Q78 WeakPolarHBondContact O-CG 3.41Å; Y74-Q78 PolarHBondContact O-N 3.35Å
75A98.7Very high96.7Very high0 Ų024.7 Ų24.70%015%0.149CC..Hα-helixtrans-62.4-42.8-178.600000112.1L7 I42 C49 A71 A72 A73 R77 Q78 L79L7-A75 HydrophobicContact CD1-CB 3.67Å; I42-A75 HydrophobicContact CD1-CB 3.99Å; C49-A75 HydrophobicContact CB-CB 3.87Å; A71-A75 WeakPolarHBondContact O-CB 3.41Å; A71-A75 PolarHBondContact O-N 2.91Å; A72-A75 PolarHBondContact O-N 3.29Å; A73-A75 PolarHBondContact O-N 3.02Å; A75-R77 PolarHBondContact O-N 3.35Å; A75-Q78 PolarHBondContact O-N 3.12Å; A75-L79 WeakPolarHBondContact O-CB 3.36Å; A75-L79 WeakPolarHBondContact O-CD1 3.27Å; A75-L79 WeakPolarHBondContact O-CG 3.3Å; A75-L79 PolarHBondContact O-N 2.95Å
76A98.5Very high97.6Very high2 Ų223.7 Ų23.72%0.01714%0.141CC..Hα-helixtrans-59.5-46.3177.100000111.7F60 A72 A73 Y74 Q78 L79 G80 V81 A83F60-A76 HydrophobicContact CD2-CB 3.96Å; A72-A76 WeakPolarHBondContact O-CB 3.29Å; A72-A76 PolarHBondContact O-N 3.41Å; A73-A76 PolarHBondContact O-N 3.35Å; Y74-A76 VanDerWaalsContact C-N 3.35Å; Y74-A76 PolarHBondContact O-N 3.26Å; A76-Q78 PolarHBondContact O-N 3.26Å; A76-L79 CarbonylContact O-C 3.57Å; A76-L79 PolarHBondContact O-N 2.93Å; A76-G80 PolarHBondContact O-N 3.03Å; A76-V81 CarbonylContact C-O 3.6Å; A76-V81 VanDerWaalsContact CB-O 3.28Å; A76-V81 WeakPolarHBondContact CB-O 3.29Å; A76-V81 PolarHBondContact O-N 3.4Å; A76-V81 VanDerWaalsContact O-O 3.07Å; A76-A83 HydrophobicContact CB-CB 3.43Å; A76-A83 VanDerWaalsContact CB-CB 3.43Å
77R98.5Very high97.8Very high119 Ų11922.5 Ų22.545%0.44913%0.128SC..Hα-helixtrans-58.9-47.5174.8-179.4173.359.789.5-5.7112.5A73 Y74 A75 L79 G80 E102A73-R77 PolarHBondContact O-N 3Å; Y74-R77 VanDerWaalsContact CD2-NH2 3.33Å; Y74-R77 PolarHBondContact O-N 3.01Å; A75-R77 PolarHBondContact O-N 3.35Å; R77-L79 PolarHBondContact O-N 2.89Å; R77-G80 PolarHBondContact O-N 2.79Å; R77-E102 WeakPolarHBondContact CB-O 3.42Å; R77-E102 WeakPolarHBondContact CD-O 3.27Å; R77-E102 IonicContact CZ-OE2 2.72Å; R77-E102 IonicContact NE-OE2 3.8Å; R77-E102 PolarHBondContact NE-OE2 3.37Å; R77-E102 IonicContact NH2-OE1 2.81Å; R77-E102 IonicContact NH2-OE2 2.81Å; R77-E102 PolarHBondContact NH2-OE2 3.04Å
78Q98.4Very high97.5Very high90 Ų9022.3 Ų22.342%0.42113%0.128SC..Hα-helixtrans-62.3-32.4178.2-67-57.1-4700112.6L7 Y74 A75 A76L7-Q78 HydrophobicContact CD2-CB 3.86Å; L7-Q78 HydrophobicContact CD2-CG 4.47Å; Y74-Q78 HydrophobicContact CD1-CG 4.06Å; Y74-Q78 HydrophobicContact CE1-CG 3.55Å; Y74-Q78 HydrophobicContact CE2-CG 4.26Å; Y74-Q78 WeakPolarHBondContact O-CG 3.41Å; Y74-Q78 PolarHBondContact O-N 3.35Å; A75-Q78 PolarHBondContact O-N 3.12Å; A76-Q78 PolarHBondContact O-N 3.26Å
79L98Very high97.1Very high17 Ų1725.2 Ų25.29%0.08915%0.149CC..Hα-helixtrans-88.3-5.9-179.4-65.4168.2000113.3M2 L7 C49 K50 A53 F60 A75 A76 R77 V81M2-L79 HydrophobicContact CE-CB 3.84Å; M2-L79 HydrophobicContact CE-CD2 3.79Å; M2-L79 HydrophobicContact CE-CG 4.43Å; M2-L79 WeakPolarHBondContact CE-O 3.13Å; M2-L79 HydrophobicContact SD-CD2 3.79Å; L7-L79 HydrophobicContact CD1-CD1 3.96Å; L7-L79 HydrophobicContact CD1-CD2 4.37Å; L7-L79 HydrophobicContact CD1-CG 4.04Å; C49-L79 HydrophobicContact CB-CD1 3.82Å; K50-L79 HydrophobicContact CB-CD1 4.49Å; K50-L79 HydrophobicContact CB-CD2 4.45Å; K50-L79 HydrophobicContact CG-CD2 4.3Å; A53-L79 HydrophobicContact CB-CB 4.45Å; A53-L79 HydrophobicContact CB-CD1 3.96Å; A53-L79 HydrophobicContact CB-CD2 4.4Å; F60-L79 HydrophobicContact CE2-CD1 4.33Å; A75-L79 WeakPolarHBondContact O-CB 3.36Å; A75-L79 WeakPolarHBondContact O-CD1 3.27Å; A75-L79 WeakPolarHBondContact O-CG 3.3Å; A75-L79 PolarHBondContact O-N 2.95Å; A76-L79 CarbonylContact O-C 3.57Å; A76-L79 PolarHBondContact O-N 2.93Å; R77-L79 PolarHBondContact O-N 2.89Å; L79-V81 HydrophobicContact CB-CG2 4.13Å; L79-V81 PolarHBondContact O-N 3.47Å
80G97.8Very high96.5Very high69 Ų6930 Ų3071%0.71118%0.178SC*.THydrogen-bonded Turntrans63.824.5-174.100000113.5A76 R77A76-G80 PolarHBondContact O-N 3.03Å; R77-G80 PolarHBondContact O-N 2.79Å
81V98.5Very high96Very high17 Ų1729.8 Ų29.810%0.10318%0.177CC..  trans-104.2131.7176.2-178.10000107.8A53 F60 A76 L79A53-V81 HydrophobicContact CB-CG2 4.15Å; F60-V81 HydrophobicContact CD2-CB 3.97Å; F60-V81 HydrophobicContact CD2-CG1 3.66Å; F60-V81 HydrophobicContact CE2-CB 3.8Å; F60-V81 HydrophobicContact CE2-CG1 3.72Å; F60-V81 HydrophobicContact CE2-CG2 4.19Å; A76-V81 CarbonylContact C-O 3.6Å; A76-V81 VanDerWaalsContact CB-O 3.28Å; A76-V81 WeakPolarHBondContact CB-O 3.29Å; A76-V81 PolarHBondContact O-N 3.4Å; A76-V81 VanDerWaalsContact O-O 3.07Å; L79-V81 HydrophobicContact CB-CG2 4.13Å; L79-V81 PolarHBondContact O-N 3.47Å
82P98.7Very high95.4Very high72 Ų7233 Ų3347%0.46820%0.198SC..  trans-59148.6175-26.635.7000113.1A58 H59 F60A58-P82 WeakPolarHBondContact O-CD 3.31Å; H59-P82 WeakPolarHBondContact CA-O 3.44Å; H59-P82 VanDerWaalsContact CE1-CB 3.44Å; H59-P82 WeakPolarHBondContact CE1-CB 3.37Å; H59-P82 WeakPolarHBondContact ND1-CB 3.17Å; F60-P82 PolarHBondContact N-O 3.21Å
83A98.6Very high94.9Very high6 Ų637.8 Ų37.85%0.0523%0.227CC..EExtended strand (participates in β ladder)trans-129.9142.4174.200000112.7F60 A76 A104 T105F60-A83 HydrophobicContact CB-CB 4.29Å; F60-A83 CarbonylContact O-C 3.58Å; F60-A83 VanDerWaalsContact O-CA 3.28Å; F60-A83 WeakPolarHBondContact O-CA 3.23Å; A76-A83 HydrophobicContact CB-CB 3.43Å; A76-A83 VanDerWaalsContact CB-CB 3.43Å; A83-A104 HydrophobicContact CB-CB 4.18Å; A83-T105 PolarHBondContact O-N 2.86Å
84T98.6Very high94.4Very high10 Ų1041.7 Ų41.76%0.06125%0.247CC..EExtended strand (participates in β ladder)trans-118.5122.8168.9-62.70000110H59 F60 V61 C62 V86 T105 K107H59-T84 PolarHBondContact NE2-N 3.19Å; H59-T84 PolarHBondContact NE2-OG1 3.47Å; F60-T84 PolarHBondContact O-N 3.27Å; V61-T84 VanDerWaalsContact CA-O 3.29Å; V61-T84 WeakPolarHBondContact CA-O 3.48Å; C62-T84 PolarHBondContact N-O 2.99Å; T84-V86 HydrophobicContact CG2-CG2 4.22Å; T84-T105 CarbonylContact C-O 3.57Å; T84-T105 VanDerWaalsContact CA-O 3.25Å; T84-T105 WeakPolarHBondContact CA-O 3.22Å; T84-K107 HydrophobicContact CG2-CB 4.1Å
85I98.1Very high93.9Very high1 Ų140.9 Ų40.91%0.00525%0.246CC..EExtended strand (participates in β ladder)trans-106.3113.6175.2-46.9-62.1000108C62 S64 A72 A73 V87 L99 A104 T105 V106 K107C62-I85 HydrophobicContact CB-CD1 3.88Å; C62-I85 CarbonylContact O-C 3.58Å; C62-I85 WeakPolarHBondContact O-CA 3.16Å; S64-I85 WeakPolarHBondContact O-CG2 3.44Å; A72-I85 HydrophobicContact CB-CD1 4.13Å; A73-I85 HydrophobicContact CB-CD1 4.48Å; A73-I85 HydrophobicContact CB-CG1 4.48Å; I85-V87 HydrophobicContact CG2-CG1 3.84Å; I85-L99 HydrophobicContact CB-CD1 4.28Å; I85-L99 HydrophobicContact CG1-CD2 4.18Å; I85-L99 HydrophobicContact CG2-CD1 3.84Å; I85-L99 HydrophobicContact CG2-CD2 4.23Å; I85-A104 HydrophobicContact CG1-CB 3.85Å; I85-T105 PolarHBondContact N-O 3.03Å; I85-V106 CarbonylContact O-C 3.6Å; I85-V106 WeakPolarHBondContact O-CA 3.44Å; I85-K107 PolarHBondContact O-N 2.92Å
86V97.3Very high93.6Very high0 Ų042.1 Ų42.10%025%0.252CS..EExtended strand (participates in β ladder)trans-90.9124.4179.5-169.20000108.6V61 C62 S63 T84 K107 V109 A116 L119 A120 L123V61-V86 HydrophobicContact CG2-CG2 3.93Å; C62-V86 PolarHBondContact O-N 3.38Å; S63-V86 CarbonylContact C-O 3.35Å; S63-V86 WeakPolarHBondContact CA-O 3.49Å; T84-V86 HydrophobicContact CG2-CG2 4.22Å; V86-K107 CarbonylContact C-O 3.54Å; V86-K107 VanDerWaalsContact CA-O 3.31Å; V86-K107 WeakPolarHBondContact CA-O 3.45Å; V86-K107 HydrophobicContact CG2-CB 4.42Å; V86-V109 HydrophobicContact CG1-CB 4.5Å; V86-V109 HydrophobicContact CG1-CG1 3.47Å; V86-V109 VanDerWaalsContact CG1-CG1 3.47Å; V86-A116 HydrophobicContact CB-CB 4.44Å; V86-A116 HydrophobicContact CG1-CB 3.85Å; V86-L119 HydrophobicContact CG1-CB 4.24Å; V86-L119 HydrophobicContact CG1-CD2 3.87Å; V86-L119 HydrophobicContact CG1-CG 4.25Å; V86-A120 HydrophobicContact CB-CB 4.37Å; V86-A120 HydrophobicContact CG2-CB 4.02Å; V86-L123 HydrophobicContact CG2-CD1 4.05Å
87V93Very high93.4Very high0 Ų046.7 Ų46.70%027%0.273CS..EExtended strand (participates in β ladder)trans-136.4149.8-172.6-54.90000111A65 I85 T91 I96 L99 V106 K107 V108 V109A65-V87 HydrophobicContact CB-CB 3.97Å; A65-V87 HydrophobicContact CB-CG1 3.56Å; I85-V87 HydrophobicContact CG2-CG1 3.84Å; V87-T91 HydrophobicContact CB-CG2 4.32Å; V87-T91 WeakPolarHBondContact CB-OG1 3.49Å; V87-T91 HydrophobicContact CG2-CG2 4.37Å; V87-I96 HydrophobicContact CG2-CG1 4.41Å; V87-L99 HydrophobicContact CG1-CD1 4.22Å; V87-V106 HydrophobicContact CG1-CG1 4.31Å; V87-V106 HydrophobicContact CG2-CG1 3.61Å; V87-K107 PolarHBondContact N-O 3.12Å; V87-V108 HydrophobicContact CG2-CG2 4.02Å; V87-V108 CarbonylContact O-C 3.41Å; V87-V108 VanDerWaalsContact O-CA 3.29Å; V87-V108 WeakPolarHBondContact O-CA 3.47Å; V87-V109 PolarHBondContact O-N 3.05Å
88P89.4Confident93.2Very high13 Ų1344.6 Ų44.68%0.08427%0.266CS..  trans-70.4158.1172.729.7-34.9000111.8T90 T91 V109P88-T90 PolarHBondContact O-N 2.81Å; P88-T90 VanDerWaalsContact O-N 3.17Å; P88-T91 WeakPolarHBondContact CD-OG1 3.35Å; P88-T91 VanDerWaalsContact O-CB 3.23Å; P88-T91 WeakPolarHBondContact O-CB 3.42Å; P88-T91 PolarHBondContact O-N 2.95Å; P88-T91 PolarHBondContact O-OG1 2.87Å; P88-V109 WeakPolarHBondContact CA-O 3.3Å
89S88.6Confident93.1Very high63 Ų6340.3 Ų40.344%0.44125%0.246SC..THydrogen-bonded Turntrans-59.3-24.317666.60000113.6T91 G110S89-T91 PolarHBondContact O-N 3.08Å; S89-G110 WeakPolarHBondContact CB-O 3.49Å; S89-G110 PolarHBondContact N-O 3.14Å; S89-G110 PolarHBondContact OG-O 2.92Å
90T84.4Confident93Very high99 Ų9945.1 Ų45.161%0.60727%0.266SS*.THydrogen-bonded Turntrans-74.5-2.4176.657.10000113.7P88P88-T90 PolarHBondContact O-N 2.81Å; P88-T90 VanDerWaalsContact O-N 3.17Å
91T85.7Confident93Very high12 Ų1248.2 Ų48.27%0.07427%0.266CS..SBendtrans-69127.5177.5-57.70000110.5A65 V87 P88 S89 T95 I96A65-T91 HydrophobicContact CB-CG2 3.64Å; V87-T91 HydrophobicContact CB-CG2 4.32Å; V87-T91 WeakPolarHBondContact CB-OG1 3.49Å; V87-T91 HydrophobicContact CG2-CG2 4.37Å; P88-T91 WeakPolarHBondContact CD-OG1 3.35Å; P88-T91 VanDerWaalsContact O-CB 3.23Å; P88-T91 WeakPolarHBondContact O-CB 3.42Å; P88-T91 PolarHBondContact O-N 2.95Å; P88-T91 PolarHBondContact O-OG1 2.87Å; S89-T91 PolarHBondContact O-N 3.08Å; T91-T95 HydrophobicContact CG2-CG2 3.93Å; T91-I96 HydrophobicContact CG2-CG1 3.92Å
92P86.8Confident92.9Very high68 Ų6848.9 Ų48.944%0.44227%0.268SS..  trans-56.5141178.7-25.934.7000112.8L94 T95 I96P92-L94 VanDerWaalsContact C-N 3.26Å; P92-L94 PolarHBondContact O-N 2.87Å; P92-T95 WeakPolarHBondContact O-CB 3.27Å; P92-T95 PolarHBondContact O-N 2.79Å; P92-I96 PolarHBondContact O-N 2.66Å; P92-I96 VanDerWaalsContact O-N 3.15Å
93V88.4Confident92.8Very high101 Ų10148.5 Ų48.561%0.61228%0.277SS*.Hα-helixtrans-55.1-42.9179.41770000111.5T95 I96 E97V93-T95 PolarHBondContact O-N 3.42Å; V93-I96 WeakPolarHBondContact O-CB 3.38Å; V93-I96 PolarHBondContact O-N 3.49Å; V93-E97 HydrophobicContact CG1-CG 4.32Å; V93-E97 WeakPolarHBondContact O-CG 3.36Å; V93-E97 PolarHBondContact O-N 2.7Å
94L88.1Confident92.8Very high83 Ų8348.5 Ų48.544%0.43528%0.277SS..Hα-helixtrans-56.8-37.4176.9-178.664.4000112.6P92 R98P92-L94 VanDerWaalsContact C-N 3.26Å; P92-L94 PolarHBondContact O-N 2.87Å; L94-R98 VanDerWaalsContact O-CG 3.32Å; L94-R98 WeakPolarHBondContact O-CG 3.39Å; L94-R98 PolarHBondContact O-N 3.24Å
95T88.5Confident92.8Very high17 Ų1752 Ų5210%0.10430%0.299CS..Hα-helixtrans-69.9-42.2177.2-58.50000111.1A65 T91 P92 V93 E97 R98 L99A65-T95 HydrophobicContact CB-CG2 4.47Å; A65-T95 WeakPolarHBondContact O-CG2 3.43Å; T91-T95 HydrophobicContact CG2-CG2 3.93Å; P92-T95 WeakPolarHBondContact O-CB 3.27Å; P92-T95 PolarHBondContact O-N 2.79Å; V93-T95 PolarHBondContact O-N 3.42Å; T95-E97 VanDerWaalsContact C-N 3.33Å; T95-E97 PolarHBondContact O-N 3.38Å; T95-R98 PolarHBondContact O-N 2.73Å; T95-L99 HydrophobicContact CG2-CD1 4.47Å; T95-L99 WeakPolarHBondContact O-CG 3.49Å; T95-L99 PolarHBondContact O-N 2.94Å; T95-L99 VanDerWaalsContact O-N 3.1Å
96I92.5Very high92.8Very high25 Ų2553.1 Ų53.113%0.12831%0.305CS..Hα-helixtrans-59.9-44.9174.6-66.1175.6000110.6V87 T91 P92 V93 L99 K100 V106 V108V87-I96 HydrophobicContact CG2-CG1 4.41Å; T91-I96 HydrophobicContact CG2-CG1 3.92Å; P92-I96 PolarHBondContact O-N 2.66Å; P92-I96 VanDerWaalsContact O-N 3.15Å; V93-I96 WeakPolarHBondContact O-CB 3.38Å; V93-I96 PolarHBondContact O-N 3.49Å; I96-L99 PolarHBondContact O-N 3.34Å; I96-K100 HydrophobicContact CG2-CD 4.17Å; I96-K100 WeakPolarHBondContact O-CG 3.45Å; I96-K100 PolarHBondContact O-N 2.94Å; I96-V106 HydrophobicContact CG1-CG1 4.25Å; I96-V106 HydrophobicContact CG2-CB 4.19Å; I96-V106 HydrophobicContact CG2-CG1 3.99Å; I96-V106 HydrophobicContact CG2-CG2 4.34Å; I96-V108 HydrophobicContact CD1-CG2 4.12Å
97E94.1Very high92.7Very high98 Ų9858.5 Ų58.546%0.45833%0.329SS..Hα-helixtrans-62.7-42.7177.9-72.8177.217300112V93 T95 L99 K100 N101V93-E97 HydrophobicContact CG1-CG 4.32Å; V93-E97 WeakPolarHBondContact O-CG 3.36Å; V93-E97 PolarHBondContact O-N 2.7Å; T95-E97 VanDerWaalsContact C-N 3.33Å; T95-E97 PolarHBondContact O-N 3.38Å; E97-L99 VanDerWaalsContact C-N 3.34Å; E97-L99 PolarHBondContact O-N 3.45Å; E97-K100 PolarHBondContact O-N 2.79Å; E97-N101 WeakPolarHBondContact O-CB 3.17Å; E97-N101 PolarHBondContact O-N 3.43Å; E97-N101 PolarHBondContact O-ND2 2.74Å; E97-N101 PolarHBondContact O-OD1 3.34Å
98R93.3Very high92.8Very high76 Ų7661.8 Ų61.829%0.28735%0.349SS..Hα-helixtrans-59.9-42.2175.3-75.4172.8-180-178.5-0.8112.7M70 L94 T95 K100 N101 E102 S306M70-R98 HydrophobicContact CE-CB 4.15Å; M70-R98 HydrophobicContact SD-CB 3.98Å; L94-R98 VanDerWaalsContact O-CG 3.32Å; L94-R98 WeakPolarHBondContact O-CG 3.39Å; L94-R98 PolarHBondContact O-N 3.24Å; T95-R98 PolarHBondContact O-N 2.73Å; R98-K100 VanDerWaalsContact C-N 3.35Å; R98-N101 PolarHBondContact O-N 2.9Å; R98-E102 PolarHBondContact O-N 2.98Å; R98-S306 PolarHBondContact NH1-O 3.32Å
99L96.1Very high92.9Very high0 Ų062.9 Ų62.90%036%0.355CS..Hα-helixtrans-64.5-40.1175.7-66.8165.8000111.7M70 A73 I85 V87 T95 I96 E97 E102 A104 V106M70-L99 HydrophobicContact CG-CD2 4.22Å; M70-L99 HydrophobicContact SD-CD2 3.49Å; M70-L99 WeakPolarHBondContact SD-CD2 3.39Å; M70-L99 HydrophobicContact SD-CG 3.94Å; A73-L99 HydrophobicContact CB-CD2 4.44Å; I85-L99 HydrophobicContact CB-CD1 4.28Å; I85-L99 HydrophobicContact CG1-CD2 4.18Å; I85-L99 HydrophobicContact CG2-CD1 3.84Å; I85-L99 HydrophobicContact CG2-CD2 4.23Å; V87-L99 HydrophobicContact CG1-CD1 4.22Å; T95-L99 HydrophobicContact CG2-CD1 4.47Å; T95-L99 WeakPolarHBondContact O-CG 3.49Å; T95-L99 PolarHBondContact O-N 2.94Å; T95-L99 VanDerWaalsContact O-N 3.1Å; I96-L99 PolarHBondContact O-N 3.34Å; E97-L99 VanDerWaalsContact C-N 3.34Å; E97-L99 PolarHBondContact O-N 3.45Å; L99-E102 WeakPolarHBondContact O-CB 3.4Å; L99-E102 PolarHBondContact O-N 3.42Å; L99-A104 WeakPolarHBondContact O-CB 3.37Å; L99-A104 PolarHBondContact O-N 3.44Å; L99-V106 HydrophobicContact CB-CG2 3.62Å; L99-V106 HydrophobicContact CD1-CG2 4.29Å
100K96.8Very high92.7Very high118 Ų11861.5 Ų61.551%0.51335%0.35SS..Hα-helixtrans-66.5-36.3175.1-72.3177178.3179.30112.6I96 E97 R98 E102 G103 V106I96-K100 HydrophobicContact CG2-CD 4.17Å; I96-K100 WeakPolarHBondContact O-CG 3.45Å; I96-K100 PolarHBondContact O-N 2.94Å; E97-K100 PolarHBondContact O-N 2.79Å; R98-K100 VanDerWaalsContact C-N 3.35Å; K100-E102 PolarHBondContact O-N 3.39Å; K100-G103 WeakPolarHBondContact O-CA 3.26Å; K100-G103 PolarHBondContact O-N 3.32Å; K100-V106 HydrophobicContact CG-CB 4.49Å; K100-V106 HydrophobicContact CG-CG2 3.82Å
101N96.8Very high92.5Very high134 Ų13463.6 Ų63.672%0.71735%0.353SS*.Hα-helixtrans-65.2-25176.5-69.9-13.5000112.2E97 R98 G103E97-N101 WeakPolarHBondContact O-CB 3.17Å; E97-N101 PolarHBondContact O-N 3.43Å; E97-N101 PolarHBondContact O-ND2 2.74Å; E97-N101 PolarHBondContact O-OD1 3.34Å; R98-N101 PolarHBondContact O-N 2.9Å; N101-G103 PolarHBondContact O-N 2.63Å
102E97.5Very high92.1Very high31 Ų3168.1 Ų68.115%0.14538%0.377CS..THydrogen-bonded Turntrans-78.12168.3-68.9-65.4168.800113.4M70 A73 R77 R98 L99 K100 A104M70-E102 HydrophobicContact CE-CG 3.76Å; A73-E102 HydrophobicContact CB-CB 3.65Å; A73-E102 HydrophobicContact CB-CG 4.28Å; R77-E102 WeakPolarHBondContact CB-O 3.42Å; R77-E102 WeakPolarHBondContact CD-O 3.27Å; R77-E102 IonicContact CZ-OE2 2.72Å; R77-E102 IonicContact NE-OE2 3.8Å; R77-E102 PolarHBondContact NE-OE2 3.37Å; R77-E102 IonicContact NH2-OE1 2.81Å; R77-E102 IonicContact NH2-OE2 2.81Å; R77-E102 PolarHBondContact NH2-OE2 3.04Å; R98-E102 PolarHBondContact O-N 2.98Å; L99-E102 WeakPolarHBondContact O-CB 3.4Å; L99-E102 PolarHBondContact O-N 3.42Å; K100-E102 PolarHBondContact O-N 3.39Å; E102-A104 VanDerWaalsContact C-N 3.33Å
103G96.9Very high91.8Very high63 Ų6369.8 Ų69.865%0.64938%0.381SS*.THydrogen-bonded Turntrans80.79-179.500000114.5K100 N101K100-G103 WeakPolarHBondContact O-CA 3.26Å; K100-G103 PolarHBondContact O-N 3.32Å; N101-G103 PolarHBondContact O-N 2.63Å
104A97.9Very high91.5Very high6 Ų669.3 Ų69.35%0.0538%0.375CS..  trans-81.2144.1178.200000112.2A73 A83 I85 L99 E102A73-A104 HydrophobicContact CB-CB 3.7Å; A83-A104 HydrophobicContact CB-CB 4.18Å; I85-A104 HydrophobicContact CG1-CB 3.85Å; L99-A104 WeakPolarHBondContact O-CB 3.37Å; L99-A104 PolarHBondContact O-N 3.44Å; E102-A104 VanDerWaalsContact C-N 3.33Å
105T98.3Very high91.4Very high85 Ų8569.3 Ų69.352%0.52137%0.373SS..EExtended strand (participates in β ladder)trans-72.2126.7165.9-63.40000108.7A83 T84 I85A83-T105 PolarHBondContact O-N 2.86Å; T84-T105 CarbonylContact C-O 3.57Å; T84-T105 VanDerWaalsContact CA-O 3.25Å; T84-T105 WeakPolarHBondContact CA-O 3.22Å; I85-T105 PolarHBondContact N-O 3.03Å
106V97.6Very high91.5Very high24 Ų2468.5 Ų68.515%0.14537%0.368CS..EExtended strand (participates in β ladder)trans-104.2117.4175.4-175.90000109.5I85 V87 I96 L99 K100I85-V106 CarbonylContact O-C 3.6Å; I85-V106 WeakPolarHBondContact O-CA 3.44Å; V87-V106 HydrophobicContact CG1-CG1 4.31Å; V87-V106 HydrophobicContact CG2-CG1 3.61Å; I96-V106 HydrophobicContact CG1-CG1 4.25Å; I96-V106 HydrophobicContact CG2-CB 4.19Å; I96-V106 HydrophobicContact CG2-CG1 3.99Å; I96-V106 HydrophobicContact CG2-CG2 4.34Å; L99-V106 HydrophobicContact CB-CG2 3.62Å; L99-V106 HydrophobicContact CD1-CG2 4.29Å; K100-V106 HydrophobicContact CG-CB 4.49Å; K100-V106 HydrophobicContact CG-CG2 3.82Å
107K96.5Very high91.5Very high113 Ų11371 Ų7149%0.49138%0.378SS..EExtended strand (participates in β ladder)trans-103.3110.9176.8-176.672.6-176.2-174.30109.1T84 I85 V86 V87 L119T84-K107 HydrophobicContact CG2-CB 4.1Å; I85-K107 PolarHBondContact O-N 2.92Å; V86-K107 CarbonylContact C-O 3.54Å; V86-K107 VanDerWaalsContact CA-O 3.31Å; V86-K107 WeakPolarHBondContact CA-O 3.45Å; V86-K107 HydrophobicContact CG2-CB 4.42Å; V87-K107 PolarHBondContact N-O 3.12Å; K107-L119 HydrophobicContact CG-CD2 4.04Å
108V94.2Very high91.5Very high69 Ų6972 Ų7242%0.41838%0.382SS..EExtended strand (participates in β ladder)trans-82.9130.9173.7-1750000109.4V87 I96V87-V108 HydrophobicContact CG2-CG2 4.02Å; V87-V108 CarbonylContact O-C 3.41Å; V87-V108 VanDerWaalsContact O-CA 3.29Å; V87-V108 WeakPolarHBondContact O-CA 3.47Å; I96-V108 HydrophobicContact CD1-CG2 4.12Å
109V91.7Very high91.6Very high36 Ų3670.7 Ų70.722%0.21838%0.381CS..  trans-143.5133.817763.80000110.6V86 V87 P88 A116 L119V86-V109 HydrophobicContact CG1-CB 4.5Å; V86-V109 HydrophobicContact CG1-CG1 3.47Å; V86-V109 VanDerWaalsContact CG1-CG1 3.47Å; V87-V109 PolarHBondContact O-N 3.05Å; P88-V109 WeakPolarHBondContact CA-O 3.3Å; V109-A116 HydrophobicContact CG1-CB 3.94Å; V109-L119 HydrophobicContact CB-CD2 3.89Å; V109-L119 HydrophobicContact CG1-CD2 3.97Å; V109-L119 HydrophobicContact CG2-CD2 4.02Å
110G85.6Confident91.6Very high33 Ų3370.7 Ų70.734%0.3438%0.381SS..  trans54.7-165.9169.800000114.5S89 E115S89-G110 WeakPolarHBondContact CB-O 3.49Å; S89-G110 PolarHBondContact N-O 3.14Å; S89-G110 PolarHBondContact OG-O 2.92Å; G110-E115 WeakPolarHBondContact CA-OE2 3.32Å
111E79.8Confident91.6Very high143 Ų14369.7 Ų69.767%0.66838%0.377SS*.SBendtrans-111.5-20.2175.1-61.3-169.6166.600111.7E115E111-E115 PolarHBondContact N-OE2 3.18Å
112L77.8Confident91.7Very high108 Ų10865.1 Ų65.157%0.56536%0.357SS*.SBendtrans-98.5143.8-173.1-57.9176.7000111.7D114 E115L112-D114 PolarHBondContact O-N 3.21Å; L112-E115 HydrophobicContact CB-CG 4.14Å; L112-E115 PolarHBondContact N-OE2 3.29Å; L112-E115 PolarHBondContact O-N 2.8Å
113L78.7Confident91.7Very high102 Ų10265.4 Ų65.453%0.53436%0.36SS..Hα-helixtrans-62.3-33.4175-176.763.8000112.1E115 A116 F117L113-E115 VanDerWaalsContact C-N 3.28Å; L113-E115 PolarHBondContact O-N 2.86Å; L113-A116 WeakPolarHBondContact O-CB 3.46Å; L113-A116 PolarHBondContact O-N 3.29Å; L113-F117 PolarHBondContact O-N 3.18Å
114D83.2Confident91.7Very high91 Ų9163.4 Ų63.449%0.48734%0.337SS..Hα-helixtrans-63.8-35.2179.6-63.4-22.4000110.9L112 A116 F117 E118 K226L112-D114 PolarHBondContact O-N 3.21Å; D114-A116 PolarHBondContact O-N 2.81Å; D114-F117 WeakPolarHBondContact O-CB 3.17Å; D114-F117 PolarHBondContact O-N 2.9Å; D114-E118 WeakPolarHBondContact O-CG 3.43Å; D114-E118 PolarHBondContact O-N 3.31Å; D114-K226 IonicContact OD2-NZ 2.78Å
115E86.6Confident91.7Very high83 Ų8371.6 Ų71.639%0.38837%0.371SS..Hα-helixtrans-65.7-39.9174.9-63.6173.4117.900111.8G110 E111 L112 L113 F117 L119G110-E115 WeakPolarHBondContact CA-OE2 3.32Å; E111-E115 PolarHBondContact N-OE2 3.18Å; L112-E115 HydrophobicContact CB-CG 4.14Å; L112-E115 PolarHBondContact N-OE2 3.29Å; L112-E115 PolarHBondContact O-N 2.8Å; L113-E115 VanDerWaalsContact C-N 3.28Å; L113-E115 PolarHBondContact O-N 2.86Å; E115-F117 VanDerWaalsContact C-N 3.34Å; E115-L119 WeakPolarHBondContact O-CB 3.4Å; E115-L119 PolarHBondContact O-N 3.17Å
116A90.8Very high91.7Very high0 Ų073.1 Ų73.10%038%0.377CS..Hα-helixtrans-65.5-37.8174.600000112.1S63 V86 V109 L113 D114 A120S63-A116 WeakPolarHBondContact CB-O 3.45Å; V86-A116 HydrophobicContact CB-CB 4.44Å; V86-A116 HydrophobicContact CG1-CB 3.85Å; V109-A116 HydrophobicContact CG1-CB 3.94Å; L113-A116 WeakPolarHBondContact O-CB 3.46Å; L113-A116 PolarHBondContact O-N 3.29Å; D114-A116 PolarHBondContact O-N 2.81Å; A116-A120 VanDerWaalsContact O-CB 3.3Å; A116-A120 WeakPolarHBondContact O-CB 3.43Å; A116-A120 PolarHBondContact O-N 3.1Å
117F91.6Very high91.8Very high78 Ų7874.6 Ų74.634%0.34238%0.384SS..Hα-helixtrans-65.3-52.2175.1176-100.4000112L113 D114 E115 L119 A120 K121 Y132L113-F117 PolarHBondContact O-N 3.18Å; D114-F117 WeakPolarHBondContact O-CB 3.17Å; D114-F117 PolarHBondContact O-N 2.9Å; E115-F117 VanDerWaalsContact C-N 3.34Å; F117-L119 VanDerWaalsContact C-N 3.32Å; F117-L119 PolarHBondContact O-N 3.46Å; F117-A120 PolarHBondContact O-N 3.46Å; F117-A120 VanDerWaalsContact O-N 3.15Å; F117-K121 HydrophobicContact CD1-CG 4.38Å; F117-K121 HydrophobicContact CD2-CG 4.37Å; F117-K121 HydrophobicContact CE1-CG 3.97Å; F117-K121 HydrophobicContact CE2-CD 4.17Å; F117-K121 HydrophobicContact CE2-CG 3.95Å; F117-K121 HydrophobicContact CZ-CD 4.06Å; F117-K121 HydrophobicContact CZ-CG 3.74Å; F117-K121 WeakPolarHBondContact O-CG 3.46Å; F117-K121 PolarHBondContact O-N 2.86Å; F117-Y132 HydrophobicContact CD2-CE2 4.45Å; F117-Y132 AromaticContact CD2-CZ 3.94Å; F117-Y132 VanDerWaalsContact CD2-OH 3.29Å; F117-Y132 WeakPolarHBondContact CD2-OH 3.46Å; F117-Y132 HydrophobicContact CE2-CE1 4.12Å; F117-Y132 AromaticContact CE2-CZ 3.77Å; F117-Y132 WeakPolarHBondContact CE2-OH 3.41Å
118E94.1Very high91.8Very high118 Ų11875.2 Ų75.255%0.55140%0.399SS*.Hα-helixtrans-59.6-43.4179.8-71.1-53.3137.400111.4D114 K121 A122D114-E118 WeakPolarHBondContact O-CG 3.43Å; D114-E118 PolarHBondContact O-N 3.31Å; E118-K121 PolarHBondContact O-N 3.31Å; E118-A122 VanDerWaalsContact O-CB 3.3Å; E118-A122 WeakPolarHBondContact O-CB 3.27Å; E118-A122 PolarHBondContact O-N 2.87Å
119L95.9Very high92Very high50 Ų5073.8 Ų73.826%0.26240%0.398SS..Hα-helixtrans-63.5-43.7175.717959.3000111.9V86 K107 V109 E115 F117 K121 A122 L123V86-L119 HydrophobicContact CG1-CB 4.24Å; V86-L119 HydrophobicContact CG1-CD2 3.87Å; V86-L119 HydrophobicContact CG1-CG 4.25Å; K107-L119 HydrophobicContact CG-CD2 4.04Å; V109-L119 HydrophobicContact CB-CD2 3.89Å; V109-L119 HydrophobicContact CG1-CD2 3.97Å; V109-L119 HydrophobicContact CG2-CD2 4.02Å; E115-L119 WeakPolarHBondContact O-CB 3.4Å; E115-L119 PolarHBondContact O-N 3.17Å; F117-L119 VanDerWaalsContact C-N 3.32Å; F117-L119 PolarHBondContact O-N 3.46Å; L119-K121 VanDerWaalsContact C-N 3.33Å; L119-K121 PolarHBondContact O-N 3.48Å; L119-A122 PolarHBondContact O-N 3.47Å; L119-L123 HydrophobicContact CD1-CD1 4.22Å; L119-L123 HydrophobicContact CD1-CG 4.06Å; L119-L123 HydrophobicContact CG-CD1 4.02Å; L119-L123 HydrophobicContact CG-CG 4.34Å; L119-L123 WeakPolarHBondContact O-CB 3.25Å; L119-L123 VanDerWaalsContact O-CG 3.26Å; L119-L123 WeakPolarHBondContact O-CG 3.25Å; L119-L123 PolarHBondContact O-N 2.93Å
120A96.5Very high92.3Very high0 Ų074.9 Ų74.90%040%0.398CS..Hα-helixtrans-62.1-40.8178.300000112.2V61 V86 A116 F117 L123 A124 Y132V61-A120 WeakPolarHBondContact CG1-O 3.27Å; V61-A120 HydrophobicContact CG2-CB 3.85Å; V86-A120 HydrophobicContact CB-CB 4.37Å; V86-A120 HydrophobicContact CG2-CB 4.02Å; A116-A120 VanDerWaalsContact O-CB 3.3Å; A116-A120 WeakPolarHBondContact O-CB 3.43Å; A116-A120 PolarHBondContact O-N 3.1Å; F117-A120 PolarHBondContact O-N 3.46Å; F117-A120 VanDerWaalsContact O-N 3.15Å; A120-L123 PolarHBondContact O-N 3.28Å; A120-A124 PolarHBondContact O-N 2.84Å; A120-Y132 HydrophobicContact CB-CD2 3.82Å; A120-Y132 HydrophobicContact CB-CE2 3.69Å
121K96.6Very high92.9Very high97 Ų9773.9 Ų73.942%0.42239%0.386SS..Hα-helixtrans-66.6-42.1175.1-68.7-68.6-67-173.50111.8F117 E118 L119 A124 K125 Y132F117-K121 HydrophobicContact CD1-CG 4.38Å; F117-K121 HydrophobicContact CD2-CG 4.37Å; F117-K121 HydrophobicContact CE1-CG 3.97Å; F117-K121 HydrophobicContact CE2-CD 4.17Å; F117-K121 HydrophobicContact CE2-CG 3.95Å; F117-K121 HydrophobicContact CZ-CD 4.06Å; F117-K121 HydrophobicContact CZ-CG 3.74Å; F117-K121 WeakPolarHBondContact O-CG 3.46Å; F117-K121 PolarHBondContact O-N 2.86Å; E118-K121 PolarHBondContact O-N 3.31Å; L119-K121 VanDerWaalsContact C-N 3.33Å; L119-K121 PolarHBondContact O-N 3.48Å; K121-A124 PolarHBondContact O-N 3.27Å; K121-K125 WeakPolarHBondContact O-CB 3.48Å; K121-K125 PolarHBondContact O-N 3.06Å; K121-Y132 HydrophobicContact CD-CD1 3.71Å; K121-Y132 HydrophobicContact CD-CD2 4.03Å; K121-Y132 HydrophobicContact CD-CE1 4Å; K121-Y132 HydrophobicContact CD-CE2 4.31Å; K121-Y132 HydrophobicContact CD-CG 3.72Å; K121-Y132 HydrophobicContact CG-CD2 4.5Å
122A97.6Very high93.8Very high37 Ų3768.6 Ų68.631%0.30636%0.36SS..Hα-helixtrans-62.8-41.9175.600000111.7E118 L119 K125 N126E118-A122 VanDerWaalsContact O-CB 3.3Å; E118-A122 WeakPolarHBondContact O-CB 3.27Å; E118-A122 PolarHBondContact O-N 2.87Å; L119-A122 PolarHBondContact O-N 3.47Å; A122-K125 PolarHBondContact O-N 2.83Å; A122-N126 VanDerWaalsContact O-CB 3.27Å; A122-N126 WeakPolarHBondContact O-CB 3.37Å; A122-N126 VanDerWaalsContact O-CG 3.23Å; A122-N126 PolarHBondContact O-N 3.47Å; A122-N126 PolarHBondContact O-ND2 3.21Å
123L97.9Very high94.8Very high38 Ų3863.5 Ų63.520%0.19933%0.333CS..Hα-helixtrans-61.6-46.2175.7-75.6170.7000111.7V61 V86 L119 A120 K125 N127 W130V61-L123 HydrophobicContact CG2-CB 4.28Å; V61-L123 HydrophobicContact CG2-CD1 4.09Å; V86-L123 HydrophobicContact CG2-CD1 4.05Å; L119-L123 HydrophobicContact CD1-CD1 4.22Å; L119-L123 HydrophobicContact CD1-CG 4.06Å; L119-L123 HydrophobicContact CG-CD1 4.02Å; L119-L123 HydrophobicContact CG-CG 4.34Å; L119-L123 WeakPolarHBondContact O-CB 3.25Å; L119-L123 VanDerWaalsContact O-CG 3.26Å; L119-L123 WeakPolarHBondContact O-CG 3.25Å; L119-L123 PolarHBondContact O-N 2.93Å; A120-L123 PolarHBondContact O-N 3.28Å; L123-K125 VanDerWaalsContact C-N 3.31Å; L123-K125 PolarHBondContact O-N 2.99Å; L123-N127 WeakPolarHBondContact O-CB 3.47Å; L123-N127 PolarHBondContact O-N 3.16Å; L123-N127 PolarHBondContact O-ND2 3.27Å; L123-W130 HydrophobicContact CB-CE3 3.88Å; L123-W130 HydrophobicContact CB-CZ3 3.81Å; L123-W130 HydrophobicContact CD1-CZ3 4.21Å; L123-W130 HydrophobicContact CD2-CH2 4.43Å; L123-W130 HydrophobicContact CD2-CZ3 3.97Å; L123-W130 HydrophobicContact CG-CZ3 4.21Å
124A97.9Very high95.7Very high20 Ų2059.4 Ų59.417%0.16531%0.313CS..Hα-helixtrans-61.6-39.1175.300000112.5V61 A120 K121V61-A124 HydrophobicContact CG1-CB 3.79Å; A120-A124 PolarHBondContact O-N 2.84Å; K121-A124 PolarHBondContact O-N 3.27Å
125K97.8Very high96.2Very high178 Ų17856.8 Ų56.877%0.77430%0.301SS*.Hα-helixtrans-71.4-41-179.4-175.5179.9178.1-177.40113K121 A122 L123K121-K125 WeakPolarHBondContact O-CB 3.48Å; K121-K125 PolarHBondContact O-N 3.06Å; A122-K125 PolarHBondContact O-N 2.83Å; L123-K125 VanDerWaalsContact C-N 3.31Å; L123-K125 PolarHBondContact O-N 2.99Å
126N98.1Very high96.7Very high118 Ų11854.3 Ų54.363%0.63129%0.289SS*.Hα-helixtrans-91.5-9.2-168.9-65.5-19.4000113.7A122A122-N126 VanDerWaalsContact O-CB 3.27Å; A122-N126 WeakPolarHBondContact O-CB 3.37Å; A122-N126 VanDerWaalsContact O-CG 3.23Å; A122-N126 PolarHBondContact O-N 3.47Å; A122-N126 PolarHBondContact O-ND2 3.21Å
127N98.4Very high96.8Very high55 Ų5558 Ų5829%0.29431%0.308SS..SBendtrans-117.4114-179.6-63-86.1000109.8L123 G129 W130L123-N127 WeakPolarHBondContact O-CB 3.47Å; L123-N127 PolarHBondContact O-N 3.16Å; L123-N127 PolarHBondContact O-ND2 3.27Å; N127-G129 PolarHBondContact O-N 3.48Å; N127-W130 HydrophobicContact CB-CB 4.05Å; N127-W130 HydrophobicContact CB-CD2 3.52Å; N127-W130 HydrophobicContact CB-CE3 4.29Å; N127-W130 HydrophobicContact CB-CG 3.37Å; N127-W130 HydrophobicContact CB-CZ2 4.38Å; N127-W130 WeakPolarHBondContact O-CB 3.36Å; N127-W130 PolarHBondContact O-N 2.99Å; N127-W130 VanDerWaalsContact O-N 3.1Å
128P97.8Very high97.2Very high126 Ų12656 Ų5682%0.81830%0.301SS*.THydrogen-bonded Turntrans-53.9133.3177.5-27.835.6000112.5W130P128-W130 VanDerWaalsContact C-N 3.27Å; P128-W130 PolarHBondContact O-N 2.87Å
129G97.6Very high97.4Very high38 Ų3854.3 Ų54.339%0.39230%0.301SS..THydrogen-bonded Turntrans78.61.2-179.400000115.1A58 H59 N127A58-G129 PolarHBondContact N-O 3.49Å; H59-G129 PolarHBondContact N-O 3.5Å; N127-G129 PolarHBondContact O-N 3.48Å
130W98.6Very high97.5Very high59 Ų5953.6 Ų53.622%0.22330%0.297CS..EExtended strand (participates in β ladder)trans-82.6136.8174.4-7340.3000111.4H59 V61 L123 N127 P128H59-W130 VanDerWaalsContact CB-CD1 3.48Å; H59-W130 HydrophobicContact CB-CD2 3.71Å; H59-W130 HydrophobicContact CB-CE3 4.5Å; H59-W130 HydrophobicContact CB-CG 3.67Å; H59-W130 HydrophobicContact CB-CZ2 4.28Å; H59-W130 AromaticContact CE1-CZ2 3.99Å; H59-W130 AromaticContact CG-CD2 3.95Å; H59-W130 AromaticContact CG-CE2 3.61Å; H59-W130 AromaticContact CG-CZ2 3.81Å; H59-W130 AromaticContact CG-NE1 3.88Å; H59-W130 AromaticContact ND1-CE2 3.89Å; H59-W130 AromaticContact ND1-CZ2 3.7Å; H59-W130 CarbonylContact O-C 3.36Å; H59-W130 VanDerWaalsContact O-CA 3.27Å; H59-W130 WeakPolarHBondContact O-CA 3.49Å; V61-W130 HydrophobicContact CB-CE3 4.28Å; V61-W130 HydrophobicContact CG1-CE3 4.46Å; L123-W130 HydrophobicContact CB-CE3 3.88Å; L123-W130 HydrophobicContact CB-CZ3 3.81Å; L123-W130 HydrophobicContact CD1-CZ3 4.21Å; L123-W130 HydrophobicContact CD2-CH2 4.43Å; L123-W130 HydrophobicContact CD2-CZ3 3.97Å; L123-W130 HydrophobicContact CG-CZ3 4.21Å; N127-W130 HydrophobicContact CB-CB 4.05Å; N127-W130 HydrophobicContact CB-CD2 3.52Å; N127-W130 HydrophobicContact CB-CE3 4.29Å; N127-W130 HydrophobicContact CB-CG 3.37Å; N127-W130 HydrophobicContact CB-CZ2 4.38Å; N127-W130 WeakPolarHBondContact O-CB 3.36Å; N127-W130 PolarHBondContact O-N 2.99Å; N127-W130 VanDerWaalsContact O-N 3.1Å; P128-W130 VanDerWaalsContact C-N 3.27Å; P128-W130 PolarHBondContact O-N 2.87Å
131V98.8Very high97.6Very high13 Ų1353.6 Ų53.68%0.07930%0.297CS..EExtended strand (participates in β ladder)trans-121.6124.5-178.51780000110.1F48 W52 C57 H59 F60 V61F48-V131 HydrophobicContact CE1-CG1 3.74Å; F48-V131 HydrophobicContact CZ-CG1 3.81Å; W52-V131 HydrophobicContact CB-CG1 4.34Å; W52-V131 HydrophobicContact CB-CG2 4.39Å; W52-V131 HydrophobicContact CD2-CB 4.42Å; W52-V131 HydrophobicContact CD2-CG1 3.7Å; W52-V131 HydrophobicContact CD2-CG2 3.84Å; W52-V131 HydrophobicContact CE3-CG1 4.21Å; W52-V131 HydrophobicContact CE3-CG2 3.5Å; W52-V131 HydrophobicContact CG-CG1 3.75Å; W52-V131 HydrophobicContact CG-CG2 4.25Å; W52-V131 HydrophobicContact CZ2-CG1 4.48Å; W52-V131 HydrophobicContact CZ3-CG2 4.02Å; C57-V131 HydrophobicContact CB-CG2 3.95Å; C57-V131 VanDerWaalsContact SG-CG2 3.5Å; H59-V131 PolarHBondContact O-N 3.25Å; F60-V131 HydrophobicContact CD1-CB 4.17Å; F60-V131 HydrophobicContact CE1-CB 4.26Å; F60-V131 HydrophobicContact CE1-CG1 4.45Å; V61-V131 PolarHBondContact N-O 3.23Å
132Y98.6Very high97.7Very high31 Ų3150.3 Ų50.312%0.12228%0.282CS..EExtended strand (participates in β ladder)trans-74.9127.1170.3177.4-101.7000110.5F48 V61 S63 F117 A120 K121 P134F48-Y132 WeakPolarHBondContact CZ-O 3.5Å; V61-Y132 HydrophobicContact CG1-CD2 4.41Å; V61-Y132 CarbonylContact O-C 3.59Å; V61-Y132 WeakPolarHBondContact O-CA 3.3Å; S63-Y132 PolarHBondContact OG-OH 3.08Å; F117-Y132 HydrophobicContact CD2-CE2 4.45Å; F117-Y132 AromaticContact CD2-CZ 3.94Å; F117-Y132 VanDerWaalsContact CD2-OH 3.29Å; F117-Y132 WeakPolarHBondContact CD2-OH 3.46Å; F117-Y132 HydrophobicContact CE2-CE1 4.12Å; F117-Y132 AromaticContact CE2-CZ 3.77Å; F117-Y132 WeakPolarHBondContact CE2-OH 3.41Å; A120-Y132 HydrophobicContact CB-CD2 3.82Å; A120-Y132 HydrophobicContact CB-CE2 3.69Å; K121-Y132 HydrophobicContact CD-CD1 3.71Å; K121-Y132 HydrophobicContact CD-CD2 4.03Å; K121-Y132 HydrophobicContact CD-CE1 4Å; K121-Y132 HydrophobicContact CD-CE2 4.31Å; K121-Y132 HydrophobicContact CD-CG 3.72Å; K121-Y132 HydrophobicContact CG-CD2 4.5Å; Y132-P134 HydrophobicContact CE1-CB 4.12Å; Y132-P134 WeakPolarHBondContact O-CD 3.33Å
133I98.5Very high97.8Very high1 Ų152.8 Ų52.81%0.00529%0.287CS..  trans-94.6109.7175.3-59168.5000109I45 F48 C49 F60 V61 C62 A72I45-I133 HydrophobicContact CG1-CG2 4.4Å; I45-I133 HydrophobicContact CG2-CG2 3.9Å; F48-I133 HydrophobicContact CD1-CG1 4.09Å; F48-I133 HydrophobicContact CD1-CG2 4.22Å; F48-I133 HydrophobicContact CE1-CB 4.21Å; F48-I133 HydrophobicContact CE1-CG1 3.79Å; F48-I133 HydrophobicContact CE1-CG2 4.38Å; C49-I133 WeakPolarHBondContact SG-CD1 3.38Å; F60-I133 HydrophobicContact CB-CD1 3.63Å; F60-I133 HydrophobicContact CB-CG1 4.36Å; F60-I133 HydrophobicContact CD1-CD1 3.69Å; F60-I133 HydrophobicContact CD1-CG1 3.81Å; F60-I133 HydrophobicContact CG-CD1 3.77Å; F60-I133 HydrophobicContact CG-CG1 4.38Å; V61-I133 PolarHBondContact O-N 2.98Å; C62-I133 HydrophobicContact CB-CB 4.21Å; A72-I133 HydrophobicContact CB-CD1 3.54Å
134P96.8Very high97.8Very high17 Ų1751.1 Ų51.111%0.1128%0.279CS..  trans-69.6148.7172.426-28000111F48 Y132 F136 D138 I141F48-P134 HydrophobicContact CE2-CG 4.21Å; Y132-P134 HydrophobicContact CE1-CB 4.12Å; Y132-P134 WeakPolarHBondContact O-CD 3.33Å; P134-F136 VanDerWaalsContact C-N 3.34Å; P134-F136 PolarHBondContact O-N 2.96Å; P134-D138 HydrophobicContact CG-CB 3.65Å; P134-I141 HydrophobicContact CB-CD1 4.41Å; P134-I141 HydrophobicContact CG-CD1 3.85Å; P134-I141 WeakPolarHBondContact O-CD1 3.45Å
135P94.4Very high97.9Very high35 Ų3550.3 Ų50.323%0.22727%0.272CS..SBendtrans-78.7-13.6-177.326.9-31.8000114.7K41 A68K41-P135 PolarHBondContact NZ-O 3.25Å; A68-P135 HydrophobicContact CB-CB 3.86Å
136F95.8Very high97.9Very high32 Ų3241.8 Ų41.814%0.1424%0.235CC..SBendtrans-163.3-35.6-178.264.4-93.2000115.9P134 D138 W142 G169 V225P134-F136 VanDerWaalsContact C-N 3.34Å; P134-F136 PolarHBondContact O-N 2.96Å; F136-D138 PolarHBondContact O-N 3.45Å; F136-W142 PolarHBondContact O-NE1 3.45Å; F136-G169 VanDerWaalsContact CD2-C 3.44Å; F136-G169 WeakPolarHBondContact CD2-O 3.24Å; F136-G169 VanDerWaalsContact CE2-CA 3.48Å; F136-G169 WeakPolarHBondContact CE2-O 3.12Å; F136-V225 HydrophobicContact CD1-CG2 4.42Å; F136-V225 HydrophobicContact CE1-CG1 3.9Å; F136-V225 HydrophobicContact CE1-CG2 3.94Å; F136-V225 HydrophobicContact CZ-CG1 3.82Å
137D94.4Very high98Very high77 Ų7737 Ų3741%0.41221%0.21SC..  trans-93.469.7-165.9-150.620.8000112.7W142D137-W142 WeakPolarHBondContact OD1-CZ2 3.45Å
138D98.6Very high98Very high37 Ų3734.4 Ų34.420%0.19820%0.197CC..SBendtrans-150.6136.5173.3-172.1-73.2000109.9F48 P134 F136 L140 I141 W142F48-D138 HydrophobicContact CD2-CB 4.33Å; F48-D138 HydrophobicContact CE2-CB 4.4Å; F48-D138 WeakPolarHBondContact CE2-OD2 3.43Å; P134-D138 HydrophobicContact CG-CB 3.65Å; F136-D138 PolarHBondContact O-N 3.45Å; D138-L140 PolarHBondContact O-N 3.28Å; D138-L140 VanDerWaalsContact OD1-CB 3.24Å; D138-L140 WeakPolarHBondContact OD1-CB 3.42Å; D138-L140 PolarHBondContact OD1-N 2.79Å; D138-I141 HydrophobicContact CB-CB 4.37Å; D138-I141 HydrophobicContact CB-CD1 4.03Å; D138-I141 HydrophobicContact CB-CG1 4.08Å; D138-I141 WeakPolarHBondContact O-CA 3.14Å; D138-I141 WeakPolarHBondContact O-CB 3.35Å; D138-I141 PolarHBondContact O-N 3.5Å; D138-W142 PolarHBondContact O-N 3.26Å; D138-W142 VanDerWaalsContact O-N 3.17Å; D138-W142 PolarHBondContact O-NE1 2.74Å
139P98.7Very high98Very high82 Ų8228.4 Ų28.453%0.53216%0.158SC..Hα-helixtrans-54.3-34.3178.2-27.735.7000114.6I141 W142 E143P139-I141 VanDerWaalsContact C-N 3.29Å; P139-I141 PolarHBondContact O-N 3.06Å; P139-W142 HydrophobicContact CB-CE3 4.24Å; P139-W142 HydrophobicContact CB-CZ3 4.28Å; P139-W142 HydrophobicContact CG-CE3 4.39Å; P139-W142 HydrophobicContact CG-CH2 4.31Å; P139-W142 HydrophobicContact CG-CZ3 3.96Å; P139-W142 PolarHBondContact O-N 3.32Å; P139-E143 WeakPolarHBondContact O-CB 3.08Å; P139-E143 PolarHBondContact O-N 2.62Å
140L98.7Very high98.1Very high34 Ų3430.7 Ų30.718%0.17816%0.157CC..Hα-helixtrans-66.8-33.1175.4-63172.4000111.4H47 F48 R51 D138 G144H47-L140 PolarHBondContact CD2-O 3.1Å; F48-L140 HydrophobicContact CB-CB 4.25Å; F48-L140 HydrophobicContact CD2-CB 4.06Å; F48-L140 HydrophobicContact CD2-CD1 3.96Å; F48-L140 HydrophobicContact CE2-CD1 4.45Å; R51-L140 HydrophobicContact CB-CD1 4.13Å; R51-L140 HydrophobicContact CB-CD2 4.48Å; R51-L140 HydrophobicContact CG-CD1 3.83Å; R51-L140 HydrophobicContact CG-CD2 4.03Å; D138-L140 PolarHBondContact O-N 3.28Å; D138-L140 VanDerWaalsContact OD1-CB 3.24Å; D138-L140 WeakPolarHBondContact OD1-CB 3.42Å; D138-L140 PolarHBondContact OD1-N 2.79Å; L140-G144 PolarHBondContact O-N 3.25Å
141I98.8Very high98.1Very high0 Ų028.4 Ų28.40%015%0.148CC..Hα-helixtrans-67.8-42.7175.8-68.9176.9000110.1G44 I45 F48 P134 D138 P139 G144 H145G44-I141 WeakPolarHBondContact CA-O 3.08Å; I45-I141 HydrophobicContact CG1-CD1 4.36Å; F48-I141 HydrophobicContact CB-CG1 4.07Å; F48-I141 HydrophobicContact CD2-CG1 4.36Å; F48-I141 HydrophobicContact CG-CG1 4.47Å; P134-I141 HydrophobicContact CB-CD1 4.41Å; P134-I141 HydrophobicContact CG-CD1 3.85Å; P134-I141 WeakPolarHBondContact O-CD1 3.45Å; D138-I141 HydrophobicContact CB-CB 4.37Å; D138-I141 HydrophobicContact CB-CD1 4.03Å; D138-I141 HydrophobicContact CB-CG1 4.08Å; D138-I141 WeakPolarHBondContact O-CA 3.14Å; D138-I141 WeakPolarHBondContact O-CB 3.35Å; D138-I141 PolarHBondContact O-N 3.5Å; P139-I141 VanDerWaalsContact C-N 3.29Å; P139-I141 PolarHBondContact O-N 3.06Å; I141-G144 PolarHBondContact O-N 2.78Å; I141-H145 VanDerWaalsContact CG2-CD2 3.47Å; I141-H145 WeakPolarHBondContact CG2-CD2 3.43Å; I141-H145 WeakPolarHBondContact CG2-NE2 3.24Å; I141-H145 WeakPolarHBondContact O-CB 3.48Å; I141-H145 PolarHBondContact O-CD2 2.66Å; I141-H145 VanDerWaalsContact O-CD2 3.23Å; I141-H145 PolarHBondContact O-N 2.9Å
142W98.8Very high98.1Very high29 Ų2927.8 Ų27.811%0.1115%0.145CC..Hα-helixtrans-66.1-44.3177.9-46-25.4000111.3F136 D137 D138 P139 G144 H145 A146 C174 G175 Q231F136-W142 PolarHBondContact O-NE1 3.45Å; D137-W142 WeakPolarHBondContact OD1-CZ2 3.45Å; D138-W142 PolarHBondContact O-N 3.26Å; D138-W142 VanDerWaalsContact O-N 3.17Å; D138-W142 PolarHBondContact O-NE1 2.74Å; P139-W142 HydrophobicContact CB-CE3 4.24Å; P139-W142 HydrophobicContact CB-CZ3 4.28Å; P139-W142 HydrophobicContact CG-CE3 4.39Å; P139-W142 HydrophobicContact CG-CH2 4.31Å; P139-W142 HydrophobicContact CG-CZ3 3.96Å; P139-W142 PolarHBondContact O-N 3.32Å; W142-G144 VanDerWaalsContact C-N 3.32Å; W142-G144 PolarHBondContact O-N 3.15Å; W142-H145 CarbonylContact O-C 3.31Å; W142-H145 PolarHBondContact O-N 3.3Å; W142-H145 VanDerWaalsContact O-N 3.12Å; W142-A146 PolarHBondContact O-N 2.98Å; W142-C174 HydrophobicContact CB-CB 4.08Å; W142-C174 HydrophobicContact CD2-CB 3.81Å; W142-C174 HydrophobicContact CG-CB 3.53Å; W142-G175 VanDerWaalsContact O-CA 3.27Å; W142-G175 WeakPolarHBondContact O-CA 3.22Å; W142-Q231 HydrophobicContact CD2-CG 4.48Å; W142-Q231 HydrophobicContact CE3-CG 4Å; W142-Q231 HydrophobicContact CH2-CB 3.38Å; W142-Q231 HydrophobicContact CH2-CG 3.56Å; W142-Q231 HydrophobicContact CZ2-CB 3.68Å; W142-Q231 HydrophobicContact CZ2-CG 4.06Å; W142-Q231 HydrophobicContact CZ3-CB 3.92Å; W142-Q231 HydrophobicContact CZ3-CG 3.53Å
143E98.8Very high98.1Very high89 Ų8930.5 Ų30.542%0.41616%0.157SC..Hα-helixtrans-56.8-45.4175.2-175.3-175.4-168.800111.4H47 P139 A146H47-E143 IonicContact CD2-OE2 3.23Å; H47-E143 IonicContact CE1-OE2 2.73Å; H47-E143 IonicContact NE2-OE1 2.67Å; H47-E143 IonicContact NE2-OE2 3.26Å; H47-E143 PolarHBondContact NE2-OE2 3.23Å; P139-E143 WeakPolarHBondContact O-CB 3.08Å; P139-E143 PolarHBondContact O-N 2.62Å; E143-A146 WeakPolarHBondContact O-CB 3.44Å; E143-A146 PolarHBondContact O-N 2.83Å
144G98.8Very high98.1Very high3 Ų336.6 Ų36.63%0.03119%0.185CC..Hα-helixtrans-66.6-39.8175.800000112.6R43 L140 I141 W142 A146 S147R43-G144 WeakPolarHBondContact CB-O 3.41Å; L140-G144 PolarHBondContact O-N 3.25Å; I141-G144 PolarHBondContact O-N 2.78Å; W142-G144 VanDerWaalsContact C-N 3.32Å; W142-G144 PolarHBondContact O-N 3.15Å; G144-A146 VanDerWaalsContact C-N 3.31Å; G144-A146 PolarHBondContact O-N 3.22Å; G144-S147 WeakPolarHBondContact O-CB 3.32Å; G144-S147 PolarHBondContact O-N 2.6Å; G144-S147 PolarHBondContact O-OG 3.15Å; G144-S147 VanDerWaalsContact O-OG 3.08Å
145H98.9Very high98.1Very high2 Ų239.1 Ų39.11%0.00921%0.208CC..Hα-helixtrans-65.5-30.5175.6-74.8-34.9000113.3F40 G44 I141 W142 S147 I148 G171F40-H145 AromaticContact CD2-CE1 3.32Å; F40-H145 WeakPolarHBondContact CD2-CE1 3.39Å; F40-H145 AromaticContact CD2-ND1 3.59Å; F40-H145 AromaticContact CD2-NE2 3.91Å; F40-H145 AromaticContact CE2-CE1 3.41Å; F40-H145 VanDerWaalsContact CE2-CE1 3.41Å; F40-H145 WeakPolarHBondContact CE2-CE1 3.23Å; F40-H145 AromaticContact CE2-ND1 3.97Å; F40-H145 AromaticContact CE2-NE2 3.51Å; F40-H145 PolarHBondContact O-CE1 2.9Å; G44-H145 PolarHBondContact N-CE1 2.78Å; G44-H145 VanDerWaalsContact N-CE1 3.32Å; G44-H145 PolarHBondContact N-ND1 2.66Å; I141-H145 VanDerWaalsContact CG2-CD2 3.47Å; I141-H145 WeakPolarHBondContact CG2-CD2 3.43Å; I141-H145 WeakPolarHBondContact CG2-NE2 3.24Å; I141-H145 WeakPolarHBondContact O-CB 3.48Å; I141-H145 PolarHBondContact O-CD2 2.66Å; I141-H145 VanDerWaalsContact O-CD2 3.23Å; I141-H145 PolarHBondContact O-N 2.9Å; W142-H145 CarbonylContact O-C 3.31Å; W142-H145 PolarHBondContact O-N 3.3Å; W142-H145 VanDerWaalsContact O-N 3.12Å; H145-S147 PolarHBondContact O-N 2.92Å; H145-I148 WeakPolarHBondContact O-CB 3.41Å; H145-I148 WeakPolarHBondContact O-CG2 3.4Å; H145-I148 PolarHBondContact O-N 3.25Å; H145-G171 PolarHBondContact CD2-O 3.26Å
146A98.8Very high98.3Very high0 Ų038.4 Ų38.40%020%0.202CC..THydrogen-bonded Turntrans-58.8-19176.700000113.4W142 E143 G144 I148 V149 K150 G175W142-A146 PolarHBondContact O-N 2.98Å; E143-A146 WeakPolarHBondContact O-CB 3.44Å; E143-A146 PolarHBondContact O-N 2.83Å; G144-A146 VanDerWaalsContact C-N 3.31Å; G144-A146 PolarHBondContact O-N 3.22Å; A146-I148 PolarHBondContact O-N 2.98Å; A146-I148 VanDerWaalsContact O-N 3.17Å; A146-V149 PolarHBondContact O-N 3.23Å; A146-V149 VanDerWaalsContact O-N 3.11Å; A146-K150 PolarHBondContact O-N 3.27Å; A146-G175 VanDerWaalsContact CA-O 3.23Å; A146-G175 WeakPolarHBondContact CA-O 3.34Å; A146-G175 WeakPolarHBondContact CB-O 3.42Å
147S98.8Very high98.2Very high17 Ų1748.9 Ų48.912%0.11924%0.241CC..Hα-helixtrans-58-27.5173.180.10000113.3H8 R43 G144 H145 V149 K150 E151H8-S147 PolarHBondContact CE1-OG 3.47Å; H8-S147 WeakPolarHBondContact NE2-CB 3.41Å; H8-S147 PolarHBondContact NE2-OG 2.93Å; R43-S147 PolarHBondContact NH1-OG 3.38Å; G144-S147 WeakPolarHBondContact O-CB 3.32Å; G144-S147 PolarHBondContact O-N 2.6Å; G144-S147 PolarHBondContact O-OG 3.15Å; G144-S147 VanDerWaalsContact O-OG 3.08Å; H145-S147 PolarHBondContact O-N 2.92Å; S147-V149 VanDerWaalsContact C-N 3.26Å; S147-V149 PolarHBondContact O-N 3.33Å; S147-K150 PolarHBondContact O-N 3.19Å; S147-E151 WeakPolarHBondContact O-CG 3.11Å; S147-E151 PolarHBondContact O-N 3.45Å
148I98.9Very high98.3Very high1 Ų150.5 Ų50.51%0.00525%0.246CC..Hα-helixtrans-59.5-40.4177.3-159.1171.3000111.3K30 D32 H145 A146 E151 L152 V176 I301K30-I148 HydrophobicContact CD-CG1 4.41Å; K30-I148 HydrophobicContact CG-CD1 3.85Å; K30-I148 HydrophobicContact CG-CG1 3.75Å; D32-I148 WeakPolarHBondContact OD2-CD1 3.49Å; H145-I148 WeakPolarHBondContact O-CB 3.41Å; H145-I148 WeakPolarHBondContact O-CG2 3.4Å; H145-I148 PolarHBondContact O-N 3.25Å; A146-I148 PolarHBondContact O-N 2.98Å; A146-I148 VanDerWaalsContact O-N 3.17Å; I148-E151 PolarHBondContact O-N 3.32Å; I148-L152 WeakPolarHBondContact O-CG 3.47Å; I148-L152 PolarHBondContact O-N 3.11Å; I148-L152 VanDerWaalsContact O-N 3.1Å; I148-V176 HydrophobicContact CG2-CG2 3.77Å; I148-I301 HydrophobicContact CD1-CB 4.47Å; I148-I301 HydrophobicContact CD1-CD1 3.65Å; I148-I301 HydrophobicContact CD1-CG1 4.16Å; I148-I301 HydrophobicContact CD1-CG2 3.54Å; I148-I301 HydrophobicContact CG1-CD1 4.3Å
149V98.9Very high98.3Very high0 Ų052.1 Ų52.10%025%0.251CS..Hα-helixtrans-78.3-33.8-177.9-1770000111.3A146 S147 E151 L152 K153 V176 L180 V183 W185A146-V149 PolarHBondContact O-N 3.23Å; A146-V149 VanDerWaalsContact O-N 3.11Å; S147-V149 VanDerWaalsContact C-N 3.26Å; S147-V149 PolarHBondContact O-N 3.33Å; V149-E151 VanDerWaalsContact C-N 3.27Å; V149-E151 PolarHBondContact O-N 3.22Å; V149-L152 WeakPolarHBondContact O-CB 3.47Å; V149-L152 PolarHBondContact O-N 2.87Å; V149-L152 VanDerWaalsContact O-N 3.14Å; V149-K153 WeakPolarHBondContact O-CB 3.49Å; V149-K153 PolarHBondContact O-N 2.96Å; V149-V176 HydrophobicContact CG2-CB 4.37Å; V149-V176 HydrophobicContact CG2-CG1 4.16Å; V149-V176 HydrophobicContact CG2-CG2 4.43Å; V149-V176 WeakPolarHBondContact CG2-O 3.49Å; V149-L180 HydrophobicContact CG1-CD2 3.93Å; V149-L180 HydrophobicContact CG1-CG 4.23Å; V149-L180 HydrophobicContact CG2-CG 4.38Å; V149-V183 HydrophobicContact CG1-CG1 4.4Å; V149-V183 HydrophobicContact CG1-CG2 3.68Å; V149-W185 HydrophobicContact CG1-CE3 4.28Å
150K98.7Very high98.3Very high86 Ų8648.4 Ų48.437%0.37423%0.227SC..Hα-helixtrans-58.4-43.2171.7-62179.5-175.7178.70110.7A146 S147 K153 E154 E182 V183A146-K150 PolarHBondContact O-N 3.27Å; S147-K150 PolarHBondContact O-N 3.19Å; K150-K153 PolarHBondContact O-N 2.58Å; K150-E154 PolarHBondContact O-N 3.23Å; K150-E154 VanDerWaalsContact O-N 3.12Å; K150-E182 WeakPolarHBondContact CE-OE2 3.42Å; K150-E182 IonicContact NZ-OE2 3.8Å; K150-E182 PolarHBondContact NZ-OE2 3.46Å; K150-V183 HydrophobicContact CG-CG1 4.4Å
151E98.8Very high98.3Very high10 Ų1047 Ų475%0.04722%0.221CC..Hα-helixtrans-64.3-40.6173.8-69.1171.9-158.100113H8 R10 T11 K30 R43 S147 I148 V149 A155H8-E151 IonicContact CD2-OE1 2.78Å; H8-E151 IonicContact NE2-OE1 3.76Å; R10-E151 WeakPolarHBondContact CA-OE2 3.07Å; R10-E151 HydrophobicContact CB-CG 4.4Å; R10-E151 HydrophobicContact CG-CG 4.39Å; T11-E151 PolarHBondContact N-OE2 3.12Å; K30-E151 VanDerWaalsContact CE-OE2 3.27Å; K30-E151 WeakPolarHBondContact CE-OE2 3.16Å; K30-E151 IonicContact NZ-OE2 3.65Å; K30-E151 PolarHBondContact NZ-OE2 3.42Å; R43-E151 IonicContact CZ-OE1 3.82Å; R43-E151 IonicContact CZ-OE2 3.74Å; R43-E151 VanDerWaalsContact NH1-CD 3.27Å; R43-E151 IonicContact NH1-OE1 3.43Å; R43-E151 PolarHBondContact NH1-OE1 2.73Å; R43-E151 IonicContact NH1-OE2 3.65Å; R43-E151 PolarHBondContact NH1-OE2 3.17Å; R43-E151 IonicContact NH2-OE1 3.67Å; R43-E151 PolarHBondContact NH2-OE1 2.99Å; R43-E151 IonicContact NH2-OE2 2.74Å; R43-E151 PolarHBondContact NH2-OE2 3Å; S147-E151 WeakPolarHBondContact O-CG 3.11Å; S147-E151 PolarHBondContact O-N 3.45Å; I148-E151 PolarHBondContact O-N 3.32Å; V149-E151 VanDerWaalsContact C-N 3.27Å; V149-E151 PolarHBondContact O-N 3.22Å; E151-A155 VanDerWaalsContact O-CB 3.29Å; E151-A155 WeakPolarHBondContact O-CB 3.37Å; E151-A155 PolarHBondContact O-N 3.23Å; E151-A155 VanDerWaalsContact O-N 3.16Å
152L98.8Very high98.3Very high0 Ų047 Ų470%022%0.221CC..Hα-helixtrans-62.5-43.9174.7-67174.3000111.4I13 K30 I148 V149 E154 A155 L156 I163 W185 V299 I301I13-L152 HydrophobicContact CD1-CD2 3.63Å; I13-L152 HydrophobicContact CG1-CD2 4.03Å; K30-L152 HydrophobicContact CB-CD2 4.35Å; K30-L152 HydrophobicContact CD-CD2 4.15Å; K30-L152 HydrophobicContact CG-CD2 4.39Å; I148-L152 WeakPolarHBondContact O-CG 3.47Å; I148-L152 PolarHBondContact O-N 3.11Å; I148-L152 VanDerWaalsContact O-N 3.1Å; V149-L152 WeakPolarHBondContact O-CB 3.47Å; V149-L152 PolarHBondContact O-N 2.87Å; V149-L152 VanDerWaalsContact O-N 3.14Å; L152-E154 VanDerWaalsContact C-N 3.31Å; L152-E154 PolarHBondContact O-N 3.47Å; L152-A155 PolarHBondContact O-N 3.05Å; L152-L156 HydrophobicContact CB-CD1 4.13Å; L152-L156 HydrophobicContact CD2-CD1 4.34Å; L152-L156 VanDerWaalsContact O-CB 3.29Å; L152-L156 WeakPolarHBondContact O-CB 3.37Å; L152-L156 WeakPolarHBondContact O-CG 3.38Å; L152-L156 PolarHBondContact O-N 3.28Å; L152-I163 HydrophobicContact CD1-CD1 3.81Å; L152-W185 HydrophobicContact CB-CZ3 4.08Å; L152-V299 HydrophobicContact CD1-CG1 4.01Å; L152-V299 HydrophobicContact CD2-CG1 3.82Å; L152-V299 HydrophobicContact CD2-CG2 4.34Å; L152-I301 HydrophobicContact CD1-CD1 4.42Å
153K98.6Very high98.3Very high89 Ų8945.7 Ų45.739%0.38722%0.216SC..Hα-helixtrans-60.9-39.2-179.9-179.565.6174.8-152.10112.8V149 K150 V183 W185V149-K153 WeakPolarHBondContact O-CB 3.49Å; V149-K153 PolarHBondContact O-N 2.96Å; K150-K153 PolarHBondContact O-N 2.58Å; K153-V183 HydrophobicContact CB-CB 4.12Å; K153-V183 HydrophobicContact CB-CG1 4.03Å; K153-V183 HydrophobicContact CB-CG2 4.33Å; K153-V183 HydrophobicContact CD-CB 4.07Å; K153-V183 HydrophobicContact CD-CG2 4.29Å; K153-V183 HydrophobicContact CG-CB 3.92Å; K153-V183 HydrophobicContact CG-CG1 4.16Å; K153-V183 HydrophobicContact CG-CG2 4.46Å; K153-V183 PolarHBondContact NZ-O 2.89Å; K153-W185 HydrophobicContact CB-CH2 4.21Å; K153-W185 HydrophobicContact CB-CZ2 4.46Å; K153-W185 HydrophobicContact CB-CZ3 4.47Å; K153-W185 HydrophobicContact CD-CD2 4.28Å; K153-W185 HydrophobicContact CD-CH2 3.98Å; K153-W185 HydrophobicContact CD-CZ2 3.38Å; K153-W185 VanDerWaalsContact NZ-NE1 3.14Å
154E98Very high98.3Very high128 Ų12841.4 Ų41.460%0.59820%0.196SC*.Hα-helixtrans-76.6-30179.8-74.3177.6-13300113.2R10 K150 L152R10-E154 IonicContact CZ-OE1 2.79Å; R10-E154 IonicContact CZ-OE2 2.66Å; R10-E154 IonicContact NH1-OE2 3.49Å; R10-E154 PolarHBondContact NH1-OE2 2.91Å; R10-E154 IonicContact NH2-OE1 3.42Å; R10-E154 PolarHBondContact NH2-OE1 3.48Å; R10-E154 IonicContact NH2-OE2 3.55Å; R10-E154 PolarHBondContact NH2-OE2 3.05Å; K150-E154 PolarHBondContact O-N 3.23Å; K150-E154 VanDerWaalsContact O-N 3.12Å; L152-E154 VanDerWaalsContact C-N 3.31Å; L152-E154 PolarHBondContact O-N 3.47Å
155A97.9Very high98.3Very high70 Ų7041.3 Ų41.358%0.57920%0.195SC*.Hα-helixtrans-103-27.6-170.100000114.5I13 E151 L152I13-A155 HydrophobicContact CD1-CB 3.57Å; E151-A155 VanDerWaalsContact O-CB 3.29Å; E151-A155 WeakPolarHBondContact O-CB 3.37Å; E151-A155 PolarHBondContact O-N 3.23Å; E151-A155 VanDerWaalsContact O-N 3.16Å; L152-A155 PolarHBondContact O-N 3.05Å
156L97.9Very high98.3Very high20 Ų2041.6 Ų41.611%0.10520%0.197CC..  trans-77.2138.5176.3-66.4175.9000110.5I13 Y28 L152 E158 P160 W185 V299I13-L156 HydrophobicContact CD1-CD2 4.32Å; I13-L156 HydrophobicContact CD1-CG 4.36Å; I13-L156 HydrophobicContact CG2-CD2 4.25Å; Y28-L156 HydrophobicContact CD2-CD2 3.86Å; Y28-L156 HydrophobicContact CE2-CD2 4.21Å; Y28-L156 HydrophobicContact CG-CD2 4.07Å; L152-L156 HydrophobicContact CB-CD1 4.13Å; L152-L156 HydrophobicContact CD2-CD1 4.34Å; L152-L156 VanDerWaalsContact O-CB 3.29Å; L152-L156 WeakPolarHBondContact O-CB 3.37Å; L152-L156 WeakPolarHBondContact O-CG 3.38Å; L152-L156 PolarHBondContact O-N 3.28Å; L156-E158 VanDerWaalsContact C-N 3.28Å; L156-E158 WeakPolarHBondContact CB-O 3.44Å; L156-E158 PolarHBondContact O-N 2.97Å; L156-P160 HydrophobicContact CD1-CB 4.3Å; L156-P160 HydrophobicContact CD1-CG 4.09Å; L156-W185 HydrophobicContact CB-CH2 4.5Å; L156-W185 HydrophobicContact CD1-CH2 4.11Å; L156-W185 HydrophobicContact CD1-CZ3 4.4Å; L156-V299 HydrophobicContact CD1-CG2 3.83Å
157W94.1Very high98.3Very high252 Ų25241.7 Ų41.796%0.95520%0.198SC*.SBendtrans-64-37.2176.3-171.5-99.6000112.2
158E96.3Very high98.2Very high111 Ų11141.5 Ų41.552%0.51920%0.198SC..SBendtrans-138.7166.1179.262.1179.9-166.400111L156L156-E158 VanDerWaalsContact C-N 3.28Å; L156-E158 WeakPolarHBondContact CB-O 3.44Å; L156-E158 PolarHBondContact O-N 2.97Å
159K98.2Very high98.1Very high71 Ų7141.7 Ų41.731%0.30920%0.201SC..  trans-63132.7175.3176.5-178.1172.2-165.40110.3W185 D187 V188K159-W185 HydrophobicContact CB-CD2 4.43Å; K159-W185 HydrophobicContact CB-CZ2 3.99Å; K159-W185 HydrophobicContact CD-CG 4.09Å; K159-W185 HydrophobicContact CG-CD2 3.93Å; K159-W185 HydrophobicContact CG-CG 3.88Å; K159-W185 HydrophobicContact CG-CZ2 4.37Å; K159-D187 VanDerWaalsContact CE-OD1 3.27Å; K159-D187 WeakPolarHBondContact CE-OD1 3.18Å; K159-D187 IonicContact NZ-OD1 2.59Å; K159-D187 PolarHBondContact NZ-OD1 3.17Å; K159-D187 IonicContact NZ-OD2 2.62Å; K159-D187 PolarHBondContact NZ-OD2 3.06Å; K159-V188 HydrophobicContact CD-CG2 4.01Å; K159-V188 HydrophobicContact CG-CG2 3.66Å
160P98.6Very high98.1Very high4 Ų441.8 Ų41.83%0.02620%0.202CC..  trans-70.7152.6179.230.8-34.9000111.3L156 I163 W185 V188 V299L156-P160 HydrophobicContact CD1-CB 4.3Å; L156-P160 HydrophobicContact CD1-CG 4.09Å; P160-I163 HydrophobicContact CG-CG1 4.28Å; P160-W185 VanDerWaalsContact CD-CZ3 3.48Å; P160-W185 HydrophobicContact CG-CE3 4.39Å; P160-W185 HydrophobicContact CG-CZ3 4.1Å; P160-V188 HydrophobicContact CG-CG1 4.29Å; P160-V299 HydrophobicContact CB-CG2 3.76Å; P160-V299 HydrophobicContact CG-CG2 4.11Å
161G98.7Very high98.1Very high6 Ų637.8 Ų37.86%0.06219%0.185CC..SBendtrans-72.2-28.2174.900000113.5P189 S297G161-P189 VanDerWaalsContact O-CD 3.22Å; G161-P189 WeakPolarHBondContact O-CD 3.26Å; G161-P189 VanDerWaalsContact O-CG 3.27Å; G161-P189 WeakPolarHBondContact O-CG 3.12Å; G161-S297 VanDerWaalsContact CA-O 3.23Å; G161-S297 WeakPolarHBondContact CA-O 3.47Å; G161-S297 PolarHBondContact N-O 2.96Å
162A98.9Very high98.1Very high0 Ų037.7 Ų37.70%019%0.185CC..EExtended strand (participates in β ladder)trans-160.4163174.400000111.6P189 I191 L291 L295 S297 L298 V299A162-P189 WeakPolarHBondContact CA-O 3.14Å; A162-P189 HydrophobicContact CB-CG 3.99Å; A162-I191 HydrophobicContact CB-CD1 4.09Å; A162-L291 HydrophobicContact CB-CD2 4.47Å; A162-L295 HydrophobicContact CB-CD2 4.31Å; A162-S297 PolarHBondContact N-O 3.01Å; A162-L298 HydrophobicContact CB-CD1 3.81Å; A162-V299 PolarHBondContact O-N 3.5Å
163I98.9Very high98.1Very high0 Ų037.8 Ų37.80%019%0.185CC..EExtended strand (participates in β ladder)trans-123.4123.8168.5-57.1-170.1000110.2L152 P160 V176 L180 V188 P189 V190 I191 V299 I301L152-I163 HydrophobicContact CD1-CD1 3.81Å; P160-I163 HydrophobicContact CG-CG1 4.28Å; I163-V176 HydrophobicContact CD1-CG1 4.37Å; I163-V176 HydrophobicContact CG2-CG1 4.38Å; I163-L180 HydrophobicContact CD1-CD1 4.42Å; I163-L180 HydrophobicContact CD1-CD2 3.87Å; I163-L180 HydrophobicContact CD1-CG 4.45Å; I163-V188 HydrophobicContact CG1-CG1 4.04Å; I163-P189 PolarHBondContact N-O 2.98Å; I163-V190 CarbonylContact O-C 3.57Å; I163-V190 VanDerWaalsContact O-CA 3.31Å; I163-V190 WeakPolarHBondContact O-CA 3.5Å; I163-I191 PolarHBondContact O-N 3.21Å; I163-V299 CarbonylContact C-O 3.49Å; I163-V299 VanDerWaalsContact CA-O 3.28Å; I163-V299 WeakPolarHBondContact CA-O 3.47Å; I163-V299 HydrophobicContact CG1-CB 4.22Å; I163-I301 HydrophobicContact CG2-CD1 4.01Å; I163-I301 HydrophobicContact CG2-CG1 3.82Å
164A98.9Very high98.1Very high0 Ų033.7 Ų33.70%017%0.168CC..EExtended strand (participates in β ladder)trans-96.8134.3171.200000111.4I191 A276 L298 V299 V300 I301A164-I191 WeakPolarHBondContact CA-O 3.27Å; A164-I191 HydrophobicContact CB-CB 4.23Å; A164-A276 HydrophobicContact CB-CB 3.95Å; A164-L298 HydrophobicContact CB-CD1 4.18Å; A164-V299 PolarHBondContact N-O 3.13Å; A164-V300 HydrophobicContact CB-CG1 4.45Å; A164-V300 HydrophobicContact CB-CG2 4.29Å; A164-I301 PolarHBondContact O-N 3.18Å
165L98.9Very high98.2Very high0 Ų027.6 Ų27.60%014%0.14CC..EExtended strand (participates in β ladder)trans-149.2161.3176.559.984.6000110V167 L172 L173 V176 V190 I191 M193 I301L165-V167 HydrophobicContact CD1-CG2 3.81Å; L165-L172 HydrophobicContact CB-CD2 4Å; L165-L172 HydrophobicContact CB-CG 4.45Å; L165-L172 HydrophobicContact CD2-CG 4.34Å; L165-L173 HydrophobicContact CD1-CB 4.02Å; L165-L173 HydrophobicContact CD1-CD1 4.41Å; L165-V176 HydrophobicContact CD2-CB 3.82Å; L165-V176 HydrophobicContact CD2-CG1 3.91Å; L165-V176 HydrophobicContact CD2-CG2 3.75Å; L165-V190 HydrophobicContact CD1-CG1 4.39Å; L165-V190 HydrophobicContact CD2-CG1 3.68Å; L165-V190 HydrophobicContact CG-CG1 3.88Å; L165-I191 PolarHBondContact N-O 2.95Å; L165-M193 PolarHBondContact O-N 2.67Å; L165-I301 HydrophobicContact CB-CB 4.23Å; L165-I301 HydrophobicContact CB-CG1 4.2Å
166S98.8Very high98.2Very high9 Ų924.3 Ų24.36%0.06311%0.112CC..EExtended strand (participates in β ladder)trans-99.8153.1172.957.40000113M193 A269S166-M193 CarbonylContact C-O 3.6Å; S166-M193 WeakPolarHBondContact CA-O 3.37Å; S166-M193 WeakPolarHBondContact CB-O 3.36Å; S166-A269 WeakPolarHBondContact CB-O 3.4Å; S166-A269 PolarHBondContact OG-O 3.45Å
167V98.9Very high98.3Very high1 Ų123.4 Ų23.41%0.00611%0.107CC..  trans-116.8119.4-174.8-178.20000110.9L165 L173 A192 M193 E194 F201 L223 V228L165-V167 HydrophobicContact CD1-CG2 3.81Å; V167-L173 HydrophobicContact CG2-CB 4.37Å; V167-L173 HydrophobicContact CG2-CD1 3.84Å; V167-A192 HydrophobicContact CG2-CB 3.73Å; V167-M193 PolarHBondContact N-O 3.42Å; V167-E194 HydrophobicContact CB-CG 3.9Å; V167-E194 WeakPolarHBondContact O-CG 3.43Å; V167-F201 HydrophobicContact CB-CB 4.36Å; V167-F201 HydrophobicContact CG1-CB 3.62Å; V167-F201 HydrophobicContact CG1-CD1 4.37Å; V167-F201 HydrophobicContact CG1-CG 3.96Å; V167-F201 HydrophobicContact CG2-CD1 4.34Å; V167-L223 WeakPolarHBondContact O-CD2 3.41Å; V167-V228 HydrophobicContact CG1-CG2 4.4Å
168G97.3Very high98.5Very high13 Ų1313.9 Ų13.913%0.1347%0.074CC..SBendtrans-95.4-100.6159.800000109.3G170 L223G168-G170 VanDerWaalsContact C-N 3.29Å; G168-G170 PolarHBondContact O-N 2.92Å; G168-L223 WeakPolarHBondContact CA-O 3.49Å
169G96.8Very high98.6Very high5 Ų58.6 Ų8.65%0.0525%0.049CC..SBendtrans-82.70.6172.900000115.2F136 V228 G229F136-G169 VanDerWaalsContact CD2-C 3.44Å; F136-G169 WeakPolarHBondContact CD2-O 3.24Å; F136-G169 VanDerWaalsContact CE2-CA 3.48Å; F136-G169 WeakPolarHBondContact CE2-O 3.12Å; G169-V228 VanDerWaalsContact O-CG2 3.3Å; G169-V228 WeakPolarHBondContact O-CG2 3.29Å; G169-G229 PolarHBondContact O-N 2.54Å
170G98.4Very high98.7Very high2 Ų25.2 Ų5.22%0.0213%0.034CC..SBendtrans91.2-1.6177.700000116.6G168 L172 L173 C174G168-G170 VanDerWaalsContact C-N 3.29Å; G168-G170 PolarHBondContact O-N 2.92Å; G170-L172 VanDerWaalsContact C-N 3.32Å; G170-L172 PolarHBondContact O-N 2.8Å; G170-L173 WeakPolarHBondContact O-CA 3.43Å; G170-L173 WeakPolarHBondContact O-CB 3.38Å; G170-L173 PolarHBondContact O-N 2.96Å; G170-C174 PolarHBondContact O-N 3.08Å; G170-C174 PolarHBondContact O-SG 2.92Å
171G98.8Very high98.7Very high3 Ų39.4 Ų9.43%0.0315%0.053CC..Hα-helixtrans-59.8-35.9-179.100000114.9H145 G175H145-G171 PolarHBondContact CD2-O 3.26Å; G171-G175 PolarHBondContact O-N 2.68Å; G171-G175 VanDerWaalsContact O-N 3.1Å
172L98.9Very high98.7Very high8 Ų813.6 Ų13.64%0.0427%0.072CC..Hα-helixtrans-65.3-46.6172.2179.354000111.3F40 L165 G170 C174 G175 V176 I301F40-L172 HydrophobicContact CD1-CD2 4.48Å; F40-L172 HydrophobicContact CD2-CB 4.28Å; F40-L172 HydrophobicContact CD2-CD1 3.68Å; F40-L172 HydrophobicContact CD2-CD2 4.27Å; F40-L172 HydrophobicContact CD2-CG 4.28Å; F40-L172 HydrophobicContact CE1-CD2 4.26Å; F40-L172 HydrophobicContact CE2-CB 3.54Å; F40-L172 HydrophobicContact CE2-CD1 3.86Å; F40-L172 HydrophobicContact CE2-CD2 4.09Å; F40-L172 HydrophobicContact CE2-CG 4.01Å; F40-L172 HydrophobicContact CG-CD1 4.35Å; F40-L172 HydrophobicContact CG-CD2 4.46Å; F40-L172 HydrophobicContact CZ-CB 3.81Å; F40-L172 HydrophobicContact CZ-CD2 4.04Å; F40-L172 HydrophobicContact CZ-CG 4.37Å; L165-L172 HydrophobicContact CB-CD2 4Å; L165-L172 HydrophobicContact CB-CG 4.45Å; L165-L172 HydrophobicContact CD2-CG 4.34Å; G170-L172 VanDerWaalsContact C-N 3.32Å; G170-L172 PolarHBondContact O-N 2.8Å; L172-C174 VanDerWaalsContact C-N 3.35Å; L172-C174 PolarHBondContact O-N 3.45Å; L172-G175 PolarHBondContact O-N 2.8Å; L172-V176 HydrophobicContact CD1-CG2 3.91Å; L172-V176 HydrophobicContact CG-CG2 4.39Å; L172-V176 WeakPolarHBondContact O-CB 3.4Å; L172-V176 WeakPolarHBondContact O-CG2 3.4Å; L172-V176 PolarHBondContact O-N 3.49Å; L172-I301 HydrophobicContact CD2-CG2 4.24Å
173L98.9Very high98.7Very high1 Ų114.9 Ų14.91%0.0058%0.079CC..Hα-helixtrans-58.5-46.9178178.1144000110.8L165 V167 G170 G175 V176 V177 A192 F201 A232 L235 I241L165-L173 HydrophobicContact CD1-CB 4.02Å; L165-L173 HydrophobicContact CD1-CD1 4.41Å; V167-L173 HydrophobicContact CG2-CB 4.37Å; V167-L173 HydrophobicContact CG2-CD1 3.84Å; G170-L173 WeakPolarHBondContact O-CA 3.43Å; G170-L173 WeakPolarHBondContact O-CB 3.38Å; G170-L173 PolarHBondContact O-N 2.96Å; L173-G175 PolarHBondContact O-N 2.73Å; L173-V176 PolarHBondContact O-N 3.08Å; L173-V177 WeakPolarHBondContact O-CB 3.35Å; L173-V177 WeakPolarHBondContact O-CG2 3.32Å; L173-V177 PolarHBondContact O-N 3.11Å; L173-A192 HydrophobicContact CD1-CB 3.82Å; L173-F201 HydrophobicContact CD1-CE1 3.95Å; L173-F201 HydrophobicContact CD1-CE2 4.38Å; L173-F201 HydrophobicContact CD1-CZ 3.79Å; L173-A232 HydrophobicContact CD2-CB 4.12Å; L173-L235 HydrophobicContact CD2-CB 4.41Å; L173-I241 HydrophobicContact CD1-CD1 4.05Å; L173-I241 HydrophobicContact CD1-CG2 4.13Å; L173-I241 HydrophobicContact CD2-CD1 3.91Å; L173-I241 HydrophobicContact CG-CD1 4.16Å
174C98.9Very high98.6Very high4 Ų417.6 Ų17.63%0.02711%0.108CC..Hα-helixtrans-58.2-48.4176.3-63.40000112W142 G170 L172 V177 Q178 Q231 L235W142-C174 HydrophobicContact CB-CB 4.08Å; W142-C174 HydrophobicContact CD2-CB 3.81Å; W142-C174 HydrophobicContact CG-CB 3.53Å; G170-C174 PolarHBondContact O-N 3.08Å; G170-C174 PolarHBondContact O-SG 2.92Å; L172-C174 VanDerWaalsContact C-N 3.35Å; L172-C174 PolarHBondContact O-N 3.45Å; C174-V177 PolarHBondContact O-N 2.9Å; C174-Q178 VanDerWaalsContact O-CB 3.27Å; C174-Q178 WeakPolarHBondContact O-CB 3.14Å; C174-Q178 PolarHBondContact O-N 3.24Å; C174-Q231 HydrophobicContact CB-CG 4.46Å; C174-L235 HydrophobicContact CB-CD1 3.96Å
175G98.9Very high98.6Very high0 Ų018.2 Ų18.20%011%0.11CC..Hα-helixtrans-65-39.2178.700000113.3W142 A146 G171 L172 L173 G179W142-G175 VanDerWaalsContact O-CA 3.27Å; W142-G175 WeakPolarHBondContact O-CA 3.22Å; A146-G175 VanDerWaalsContact CA-O 3.23Å; A146-G175 WeakPolarHBondContact CA-O 3.34Å; A146-G175 WeakPolarHBondContact CB-O 3.42Å; G171-G175 PolarHBondContact O-N 2.68Å; G171-G175 VanDerWaalsContact O-N 3.1Å; L172-G175 PolarHBondContact O-N 2.8Å; L173-G175 PolarHBondContact O-N 2.73Å; G175-G179 PolarHBondContact O-N 3.39Å
176V98.9Very high98.6Very high1 Ų119.7 Ų19.71%0.00613%0.125CC..Hα-helixtrans-66.1-48.4176.8167.80000110.9I148 V149 I163 L165 L172 L173 Q178 G179 L180 V190I148-V176 HydrophobicContact CG2-CG2 3.77Å; V149-V176 HydrophobicContact CG2-CB 4.37Å; V149-V176 HydrophobicContact CG2-CG1 4.16Å; V149-V176 HydrophobicContact CG2-CG2 4.43Å; V149-V176 WeakPolarHBondContact CG2-O 3.49Å; I163-V176 HydrophobicContact CD1-CG1 4.37Å; I163-V176 HydrophobicContact CG2-CG1 4.38Å; L165-V176 HydrophobicContact CD2-CB 3.82Å; L165-V176 HydrophobicContact CD2-CG1 3.91Å; L165-V176 HydrophobicContact CD2-CG2 3.75Å; L172-V176 HydrophobicContact CD1-CG2 3.91Å; L172-V176 HydrophobicContact CG-CG2 4.39Å; L172-V176 WeakPolarHBondContact O-CB 3.4Å; L172-V176 WeakPolarHBondContact O-CG2 3.4Å; L172-V176 PolarHBondContact O-N 3.49Å; L173-V176 PolarHBondContact O-N 3.08Å; V176-Q178 PolarHBondContact O-N 2.77Å; V176-G179 PolarHBondContact O-N 2.91Å; V176-L180 HydrophobicContact CG1-CD1 3.91Å; V176-L180 HydrophobicContact CG1-CG 4.26Å; V176-L180 WeakPolarHBondContact O-CB 3.13Å; V176-L180 VanDerWaalsContact O-CG 3.27Å; V176-L180 WeakPolarHBondContact O-CG 3.42Å; V176-L180 PolarHBondContact O-N 2.71Å; V176-V190 HydrophobicContact CG1-CG2 4.26Å
177V98.9Very high98.6Very high0 Ų024.1 Ų24.10%015%0.148CC..Hα-helixtrans-62.1-45.9179171.10000111.1L173 C174 G179 L180 Q181 V190 L235 H239 I241L173-V177 WeakPolarHBondContact O-CB 3.35Å; L173-V177 WeakPolarHBondContact O-CG2 3.32Å; L173-V177 PolarHBondContact O-N 3.11Å; C174-V177 PolarHBondContact O-N 2.9Å; V177-G179 VanDerWaalsContact C-N 3.34Å; V177-G179 PolarHBondContact O-N 2.98Å; V177-L180 WeakPolarHBondContact O-CB 3.2Å; V177-L180 PolarHBondContact O-N 2.81Å; V177-Q181 WeakPolarHBondContact O-CG 3.45Å; V177-Q181 PolarHBondContact O-N 3.43Å; V177-V190 HydrophobicContact CG2-CG2 4.26Å; V177-L235 HydrophobicContact CB-CD1 4.13Å; V177-L235 HydrophobicContact CG1-CB 4.43Å; V177-L235 HydrophobicContact CG1-CD1 4.19Å; V177-L235 HydrophobicContact CG1-CD2 3.82Å; V177-L235 HydrophobicContact CG1-CG 4.37Å; V177-H239 HydrophobicContact CG1-CB 3.78Å; V177-H239 HydrophobicContact CG2-CB 4.34Å; V177-I241 HydrophobicContact CG2-CD1 4Å
178Q98.8Very high98.6Very high53 Ų5324.1 Ų24.125%0.24815%0.148CC..Hα-helixtrans-57.7-48174.5180-177.6-20.600111.1C174 V176 L180 Q181 E182C174-Q178 VanDerWaalsContact O-CB 3.27Å; C174-Q178 WeakPolarHBondContact O-CB 3.14Å; C174-Q178 PolarHBondContact O-N 3.24Å; V176-Q178 PolarHBondContact O-N 2.77Å; Q178-L180 VanDerWaalsContact C-N 3.32Å; Q178-L180 PolarHBondContact O-N 3.45Å; Q178-Q181 PolarHBondContact O-N 3.35Å; Q178-E182 WeakPolarHBondContact CG-OE1 3.26Å; Q178-E182 PolarHBondContact NE2-OE1 3.01Å; Q178-E182 WeakPolarHBondContact O-CG 3.18Å; Q178-E182 PolarHBondContact O-N 3.08Å
179G98.9Very high98.7Very high0 Ų024.4 Ų24.40%015%0.147CC..Hα-helixtrans-60.7-39.7177.600000112.9G175 V176 V177 E182 V183G175-G179 PolarHBondContact O-N 3.39Å; V176-G179 PolarHBondContact O-N 2.91Å; V177-G179 VanDerWaalsContact C-N 3.34Å; V177-G179 PolarHBondContact O-N 2.98Å; G179-E182 PolarHBondContact O-N 3.27Å; G179-V183 WeakPolarHBondContact O-CG1 3.41Å; G179-V183 WeakPolarHBondContact O-CG2 3.35Å; G179-V183 PolarHBondContact O-N 3.27Å; G179-V183 VanDerWaalsContact O-N 3.13Å
180L98.9Very high98.8Very high0 Ų024.1 Ų24.10%015%0.145CC..Hα-helixtrans-62-45.8176.1-76.1172.4000111.1V149 I163 V176 V177 Q178 V183 G184 W185 V188 V190V149-L180 HydrophobicContact CG1-CD2 3.93Å; V149-L180 HydrophobicContact CG1-CG 4.23Å; V149-L180 HydrophobicContact CG2-CG 4.38Å; I163-L180 HydrophobicContact CD1-CD1 4.42Å; I163-L180 HydrophobicContact CD1-CD2 3.87Å; I163-L180 HydrophobicContact CD1-CG 4.45Å; V176-L180 HydrophobicContact CG1-CD1 3.91Å; V176-L180 HydrophobicContact CG1-CG 4.26Å; V176-L180 WeakPolarHBondContact O-CB 3.13Å; V176-L180 VanDerWaalsContact O-CG 3.27Å; V176-L180 WeakPolarHBondContact O-CG 3.42Å; V176-L180 PolarHBondContact O-N 2.71Å; V177-L180 WeakPolarHBondContact O-CB 3.2Å; V177-L180 PolarHBondContact O-N 2.81Å; Q178-L180 VanDerWaalsContact C-N 3.32Å; Q178-L180 PolarHBondContact O-N 3.45Å; L180-V183 PolarHBondContact O-N 3.37Å; L180-G184 PolarHBondContact O-N 3.34Å; L180-W185 HydrophobicContact CB-CB 4.39Å; L180-W185 HydrophobicContact CD2-CB 3.67Å; L180-W185 HydrophobicContact CD2-CE3 3.92Å; L180-W185 CarbonylContact O-C 3.56Å; L180-W185 WeakPolarHBondContact O-CA 3.14Å; L180-W185 PolarHBondContact O-N 2.63Å; L180-V188 HydrophobicContact CD1-CB 4.37Å; L180-V188 HydrophobicContact CD2-CB 4.04Å; L180-V188 HydrophobicContact CD2-CG1 4.42Å; L180-V188 HydrophobicContact CD2-CG2 4.31Å; L180-V190 HydrophobicContact CD1-CG2 3.75Å
181Q98.8Very high98.8Very high91 Ų9124 Ų2443%0.42514%0.144SC..Hα-helixtrans-62.3-45.3176.8-67.7166.8-8.300111.4V177 Q178 V183 G184V177-Q181 WeakPolarHBondContact O-CG 3.45Å; V177-Q181 PolarHBondContact O-N 3.43Å; Q178-Q181 PolarHBondContact O-N 3.35Å; Q181-V183 VanDerWaalsContact C-N 3.3Å; Q181-V183 PolarHBondContact O-N 3.17Å; Q181-G184 PolarHBondContact O-N 3.39Å
182E98.7Very high98.8Very high95 Ų9523.9 Ų23.944%0.44414%0.142SC..Hα-helixtrans-59.9-35.2178.6-75.3177.7-161.400113.3K150 Q178 G179K150-E182 WeakPolarHBondContact CE-OE2 3.42Å; K150-E182 IonicContact NZ-OE2 3.8Å; K150-E182 PolarHBondContact NZ-OE2 3.46Å; Q178-E182 WeakPolarHBondContact CG-OE1 3.26Å; Q178-E182 PolarHBondContact NE2-OE1 3.01Å; Q178-E182 WeakPolarHBondContact O-CG 3.18Å; Q178-E182 PolarHBondContact O-N 3.08Å; G179-E182 PolarHBondContact O-N 3.27Å
183V98.6Very high98.8Very high26 Ų2623.5 Ų23.516%0.15814%0.14CC..THydrogen-bonded Turntrans-94.38.1-177.3-550000114.4V149 K150 K153 G179 L180 Q181 W185V149-V183 HydrophobicContact CG1-CG1 4.4Å; V149-V183 HydrophobicContact CG1-CG2 3.68Å; K150-V183 HydrophobicContact CG-CG1 4.4Å; K153-V183 HydrophobicContact CB-CB 4.12Å; K153-V183 HydrophobicContact CB-CG1 4.03Å; K153-V183 HydrophobicContact CB-CG2 4.33Å; K153-V183 HydrophobicContact CD-CB 4.07Å; K153-V183 HydrophobicContact CD-CG2 4.29Å; K153-V183 HydrophobicContact CG-CB 3.92Å; K153-V183 HydrophobicContact CG-CG1 4.16Å; K153-V183 HydrophobicContact CG-CG2 4.46Å; K153-V183 PolarHBondContact NZ-O 2.89Å; G179-V183 WeakPolarHBondContact O-CG1 3.41Å; G179-V183 WeakPolarHBondContact O-CG2 3.35Å; G179-V183 PolarHBondContact O-N 3.27Å; G179-V183 VanDerWaalsContact O-N 3.13Å; L180-V183 PolarHBondContact O-N 3.37Å; Q181-V183 VanDerWaalsContact C-N 3.3Å; Q181-V183 PolarHBondContact O-N 3.17Å; V183-W185 HydrophobicContact CG2-CB 3.9Å; V183-W185 HydrophobicContact CG2-CD2 3.76Å; V183-W185 HydrophobicContact CG2-CE3 3.9Å; V183-W185 HydrophobicContact CG2-CG 3.76Å
184G98.6Very high98.8Very high58 Ų5823.5 Ų23.560%0.59814%0.14SC*.THydrogen-bonded Turntrans74.528.4-17900000114.2L180 Q181L180-G184 PolarHBondContact O-N 3.34Å; Q181-G184 PolarHBondContact O-N 3.39Å
185W98.8Very high98.8Very high12 Ų1223.3 Ų23.35%0.04514%0.139CC..  trans-11530179.3-70.6-5.9000112.4V149 L152 K153 L156 K159 P160 L180 V183 D187 V188V149-W185 HydrophobicContact CG1-CE3 4.28Å; L152-W185 HydrophobicContact CB-CZ3 4.08Å; K153-W185 HydrophobicContact CB-CH2 4.21Å; K153-W185 HydrophobicContact CB-CZ2 4.46Å; K153-W185 HydrophobicContact CB-CZ3 4.47Å; K153-W185 HydrophobicContact CD-CD2 4.28Å; K153-W185 HydrophobicContact CD-CH2 3.98Å; K153-W185 HydrophobicContact CD-CZ2 3.38Å; K153-W185 VanDerWaalsContact NZ-NE1 3.14Å; L156-W185 HydrophobicContact CB-CH2 4.5Å; L156-W185 HydrophobicContact CD1-CH2 4.11Å; L156-W185 HydrophobicContact CD1-CZ3 4.4Å; K159-W185 HydrophobicContact CB-CD2 4.43Å; K159-W185 HydrophobicContact CB-CZ2 3.99Å; K159-W185 HydrophobicContact CD-CG 4.09Å; K159-W185 HydrophobicContact CG-CD2 3.93Å; K159-W185 HydrophobicContact CG-CG 3.88Å; K159-W185 HydrophobicContact CG-CZ2 4.37Å; P160-W185 VanDerWaalsContact CD-CZ3 3.48Å; P160-W185 HydrophobicContact CG-CE3 4.39Å; P160-W185 HydrophobicContact CG-CZ3 4.1Å; L180-W185 HydrophobicContact CB-CB 4.39Å; L180-W185 HydrophobicContact CD2-CB 3.67Å; L180-W185 HydrophobicContact CD2-CE3 3.92Å; L180-W185 CarbonylContact O-C 3.56Å; L180-W185 WeakPolarHBondContact O-CA 3.14Å; L180-W185 PolarHBondContact O-N 2.63Å; V183-W185 HydrophobicContact CG2-CB 3.9Å; V183-W185 HydrophobicContact CG2-CD2 3.76Å; V183-W185 HydrophobicContact CG2-CE3 3.9Å; V183-W185 HydrophobicContact CG2-CG 3.76Å; W185-D187 PolarHBondContact O-N 3.01Å; W185-V188 HydrophobicContact CB-CG2 3.78Å; W185-V188 HydrophobicContact CG-CG2 4.24Å; W185-V188 PolarHBondContact O-N 3.21Å
186G98.5Very high98.8Very high31 Ų3129.8 Ų29.832%0.3217%0.168SC..THydrogen-bonded Turntrans-62.6-10.4-176.700000115.8H239G186-H239 PolarHBondContact O-CE1 3.28Å; G186-H239 PolarHBondContact O-ND1 3.07Å
187D98.4Very high98.8Very high102 Ų10229.9 Ų29.955%0.54517%0.169SC..THydrogen-bonded Turntrans-103.60.9176.761.9-40.8000113.2K159 W185 P189K159-D187 VanDerWaalsContact CE-OD1 3.27Å; K159-D187 WeakPolarHBondContact CE-OD1 3.18Å; K159-D187 IonicContact NZ-OD1 2.59Å; K159-D187 PolarHBondContact NZ-OD1 3.17Å; K159-D187 IonicContact NZ-OD2 2.62Å; K159-D187 PolarHBondContact NZ-OD2 3.06Å; W185-D187 PolarHBondContact O-N 3.01Å; D187-P189 VanDerWaalsContact O-CD 3.29Å; D187-P189 WeakPolarHBondContact O-CD 3.31Å
188V98.9Very high98.7Very high2 Ų229.9 Ų29.91%0.01217%0.169CC..SBendtrans-72118.5171.5178.50000109.1K159 P160 I163 L180 W185 H239K159-V188 HydrophobicContact CD-CG2 4.01Å; K159-V188 HydrophobicContact CG-CG2 3.66Å; P160-V188 HydrophobicContact CG-CG1 4.29Å; I163-V188 HydrophobicContact CG1-CG1 4.04Å; L180-V188 HydrophobicContact CD1-CB 4.37Å; L180-V188 HydrophobicContact CD2-CB 4.04Å; L180-V188 HydrophobicContact CD2-CG1 4.42Å; L180-V188 HydrophobicContact CD2-CG2 4.31Å; W185-V188 HydrophobicContact CB-CG2 3.78Å; W185-V188 HydrophobicContact CG-CG2 4.24Å; W185-V188 PolarHBondContact O-N 3.21Å; V188-H239 PolarHBondContact O-NE2 2.82Å
189P98.9Very high98.7Very high18 Ų1829 Ų2912%0.11717%0.165CC..  trans-67142.2178.426.3-33.5000112.2G161 A162 I163 D187 P240 F242 L291G161-P189 VanDerWaalsContact O-CD 3.22Å; G161-P189 WeakPolarHBondContact O-CD 3.26Å; G161-P189 VanDerWaalsContact O-CG 3.27Å; G161-P189 WeakPolarHBondContact O-CG 3.12Å; A162-P189 WeakPolarHBondContact CA-O 3.14Å; A162-P189 HydrophobicContact CB-CG 3.99Å; I163-P189 PolarHBondContact N-O 2.98Å; D187-P189 VanDerWaalsContact O-CD 3.29Å; D187-P189 WeakPolarHBondContact O-CD 3.31Å; P189-P240 CarbonylContact C-O 3.4Å; P189-P240 VanDerWaalsContact CA-O 3.26Å; P189-P240 WeakPolarHBondContact CA-O 3.18Å; P189-P240 HydrophobicContact CB-CB 4.29Å; P189-F242 HydrophobicContact CB-CD2 4.09Å; P189-F242 HydrophobicContact CB-CE2 3.6Å; P189-F242 HydrophobicContact CG-CE2 4.5Å; P189-L291 HydrophobicContact CB-CD2 4Å; P189-L291 HydrophobicContact CG-CD2 3.53Å
190V98.9Very high98.7Very high0 Ų029 Ų290%017%0.165CC..EExtended strand (participates in β ladder)trans-106128.3174.3177.90000109.7I163 L165 V176 V177 L180 P240 I241 F242I163-V190 CarbonylContact O-C 3.57Å; I163-V190 VanDerWaalsContact O-CA 3.31Å; I163-V190 WeakPolarHBondContact O-CA 3.5Å; L165-V190 HydrophobicContact CD1-CG1 4.39Å; L165-V190 HydrophobicContact CD2-CG1 3.68Å; L165-V190 HydrophobicContact CG-CG1 3.88Å; V176-V190 HydrophobicContact CG1-CG2 4.26Å; V177-V190 HydrophobicContact CG2-CG2 4.26Å; L180-V190 HydrophobicContact CD1-CG2 3.75Å; V190-P240 PolarHBondContact N-O 3.19Å; V190-I241 HydrophobicContact CB-CG1 4.29Å; V190-I241 CarbonylContact O-C 3.58Å; V190-I241 VanDerWaalsContact O-CA 3.31Å; V190-I241 WeakPolarHBondContact O-CA 3.34Å; V190-F242 PolarHBondContact O-N 3.3Å
191I98.9Very high98.7Very high0 Ų029 Ų290%017%0.165CC..EExtended strand (participates in β ladder)trans-100.2102.5175.9-51.5167.6000107A162 I163 A164 L165 M193 F242 I282 L285 L291 L298A162-I191 HydrophobicContact CB-CD1 4.09Å; I163-I191 PolarHBondContact O-N 3.21Å; A164-I191 WeakPolarHBondContact CA-O 3.27Å; A164-I191 HydrophobicContact CB-CB 4.23Å; L165-I191 PolarHBondContact N-O 2.95Å; I191-M193 HydrophobicContact CG2-CG 4.39Å; I191-M193 HydrophobicContact CG2-SD 3.61Å; I191-F242 HydrophobicContact CG1-CD2 4.49Å; I191-I282 HydrophobicContact CD1-CD1 3.26Å; I191-L285 HydrophobicContact CD1-CD1 4.23Å; I191-L285 HydrophobicContact CG1-CD1 4.21Å; I191-L285 HydrophobicContact CG2-CD1 4.24Å; I191-L291 HydrophobicContact CD1-CD1 3.9Å; I191-L298 HydrophobicContact CD1-CD1 4.12Å
192A98.9Very high98.7Very high0 Ų027.8 Ų27.80%016%0.159CC..EExtended strand (participates in β ladder)trans-92.2101.1-174.600000110V167 L173 F201 I241 F242 E244V167-A192 HydrophobicContact CG2-CB 3.73Å; L173-A192 HydrophobicContact CD1-CB 3.82Å; A192-F201 HydrophobicContact CB-CD1 4.06Å; A192-F201 HydrophobicContact CB-CE1 3.65Å; A192-I241 HydrophobicContact CB-CG2 3.78Å; A192-F242 PolarHBondContact N-O 3.05Å; A192-E244 PolarHBondContact O-N 3.4Å
193M98.9Very high98.7Very high0 Ų024.2 Ų24.20%015%0.146CC..EExtended strand (participates in β ladder)trans-92.1132.3-174.5-58.4-57.8-59.800112.1L165 S166 V167 I191 E244 I246 A272 A276 V281L165-M193 PolarHBondContact O-N 2.67Å; S166-M193 CarbonylContact C-O 3.6Å; S166-M193 WeakPolarHBondContact CA-O 3.37Å; S166-M193 WeakPolarHBondContact CB-O 3.36Å; V167-M193 PolarHBondContact N-O 3.42Å; I191-M193 HydrophobicContact CG2-CG 4.39Å; I191-M193 HydrophobicContact CG2-SD 3.61Å; M193-E244 WeakPolarHBondContact CA-O 3.21Å; M193-E244 HydrophobicContact CE-CB 4.11Å; M193-E244 HydrophobicContact SD-CB 3.73Å; M193-I246 HydrophobicContact CE-CG1 4.03Å; M193-I246 HydrophobicContact CE-CG2 3.73Å; M193-A272 HydrophobicContact CB-CB 4.42Å; M193-A272 VanDerWaalsContact CB-O 3.26Å; M193-A272 WeakPolarHBondContact CB-O 3.34Å; M193-A272 WeakPolarHBondContact CG-O 3.46Å; M193-A276 HydrophobicContact CE-CB 4.4Å; M193-A276 HydrophobicContact CG-CB 4.08Å; M193-A276 HydrophobicContact SD-CB 3.89Å; M193-V281 HydrophobicContact CE-CG2 3.99Å; M193-V281 HydrophobicContact SD-CG1 4.39Å
194E98.9Very high98.7Very high0 Ų023 Ų230%014%0.138CC..EExtended strand (participates in β ladder)trans-131.4161.5169.5-67.8-179.2120.900111V167 H199 S200 F201 H202 E244 V245 I246V167-E194 HydrophobicContact CB-CG 3.9Å; V167-E194 WeakPolarHBondContact O-CG 3.43Å; E194-H199 HydrophobicContact CB-CB 4.15Å; E194-H199 VanDerWaalsContact CD-CA 3.46Å; E194-H199 VanDerWaalsContact OE2-C 3.25Å; E194-H199 VanDerWaalsContact OE2-CA 3.27Å; E194-H199 WeakPolarHBondContact OE2-CA 3.02Å; E194-S200 PolarHBondContact OE1-N 3.42Å; E194-S200 VanDerWaalsContact OE1-N 3.08Å; E194-F201 VanDerWaalsContact OE1-CB 3.32Å; E194-F201 WeakPolarHBondContact OE1-CB 3.39Å; E194-F201 PolarHBondContact OE1-N 2.89Å; E194-F201 WeakPolarHBondContact OE2-CB 3.33Å; E194-F201 PolarHBondContact OE2-N 3.48Å; E194-H202 WeakPolarHBondContact OE2-CB 3.46Å; E194-H202 PolarHBondContact OE2-N 3Å; E194-E244 PolarHBondContact N-O 3.02Å; E194-V245 WeakPolarHBondContact O-CA 3.36Å; E194-I246 PolarHBondContact O-N 3.27Å
195T98.9Very high98.7Very high0 Ų021 Ų210%011%0.114CC..EExtended strand (participates in β ladder)trans-93.4144.8167.944.80000111.1G197 A198 H199 S218 A220 L223 I246 D248 A251 A272T195-G197 PolarHBondContact O-N 2.86Å; T195-A198 CarbonylContact O-C 3.56Å; T195-A198 PolarHBondContact O-N 2.9Å; T195-H199 PolarHBondContact O-N 3.35Å; T195-S218 WeakPolarHBondContact CB-OG 3.5Å; T195-S218 WeakPolarHBondContact OG1-CB 3.39Å; T195-S218 PolarHBondContact OG1-OG 2.88Å; T195-A220 HydrophobicContact CG2-CB 4.02Å; T195-A220 WeakPolarHBondContact OG1-CB 3.33Å; T195-L223 HydrophobicContact CG2-CD1 4.42Å; T195-I246 CarbonylContact C-O 3.53Å; T195-I246 VanDerWaalsContact CA-O 3.27Å; T195-I246 WeakPolarHBondContact CA-O 3.48Å; T195-I246 HydrophobicContact CG2-CD1 3.47Å; T195-I246 VanDerWaalsContact CG2-CD1 3.47Å; T195-D248 WeakPolarHBondContact CB-OD1 3.07Å; T195-D248 WeakPolarHBondContact CG2-OD1 3.41Å; T195-A251 HydrophobicContact CG2-CB 3.74Å; T195-A272 HydrophobicContact CG2-CB 4.2Å
196F98.8Very high98.7Very high137 Ų13725.3 Ų25.360%0.60114%0.142SC*.THydrogen-bonded Turntrans-57.6135169-174.7-95000109.7H199 S218 V245 I246F196-H199 AromaticContact CD2-CE1 3.77Å; F196-H199 AromaticContact CD2-ND1 3.95Å; F196-H199 AromaticContact CE2-CE1 3.79Å; F196-S218 WeakPolarHBondContact O-CB 3.42Å; F196-V245 HydrophobicContact CB-CG1 3.97Å; F196-I246 PolarHBondContact N-O 3.1Å
197G97.9Very high98.7Very high3 Ų326.2 Ų26.23%0.03115%0.147CC..THydrogen-bonded Turntrans85.6-6.9-167.400000116.6T195 H199 I216 T217 S218T195-G197 PolarHBondContact O-N 2.86Å; G197-H199 PolarHBondContact N-CE1 3.17Å; G197-H199 PolarHBondContact N-ND1 2.94Å; G197-I216 WeakPolarHBondContact O-CA 3.4Å; G197-T217 WeakPolarHBondContact CA-OG1 3.45Å; G197-T217 PolarHBondContact O-N 2.94Å; G197-S218 PolarHBondContact O-N 3.45Å
198A98.2Very high98.7Very high0 Ų024 Ų240%015%0.147CC..SBendtrans-136.925.4168.400000112.6T195 S200 I216 L223T195-A198 CarbonylContact O-C 3.56Å; T195-A198 PolarHBondContact O-N 2.9Å; A198-S200 VanDerWaalsContact C-N 3.3Å; A198-S200 PolarHBondContact O-N 3.46Å; A198-S200 VanDerWaalsContact O-N 3.11Å; A198-I216 HydrophobicContact CB-CG2 4.33Å; A198-L223 HydrophobicContact CB-CB 3.99Å
199H98.7Very high98.7Very high35 Ų3530.6 Ų30.616%0.16218%0.176CC..  trans-88.851.3-171.357-82.8000113.3E194 T195 F196 G197 F201 H202 A203 V245E194-H199 HydrophobicContact CB-CB 4.15Å; E194-H199 VanDerWaalsContact CD-CA 3.46Å; E194-H199 VanDerWaalsContact OE2-C 3.25Å; E194-H199 VanDerWaalsContact OE2-CA 3.27Å; E194-H199 WeakPolarHBondContact OE2-CA 3.02Å; T195-H199 PolarHBondContact O-N 3.35Å; F196-H199 AromaticContact CD2-CE1 3.77Å; F196-H199 AromaticContact CD2-ND1 3.95Å; F196-H199 AromaticContact CE2-CE1 3.79Å; G197-H199 PolarHBondContact N-CE1 3.17Å; G197-H199 PolarHBondContact N-ND1 2.94Å; H199-F201 VanDerWaalsContact C-N 3.34Å; H199-F201 PolarHBondContact O-N 3.2Å; H199-H202 HydrophobicContact CB-CB 4.11Å; H199-H202 PolarHBondContact O-N 3.34Å; H199-A203 WeakPolarHBondContact O-CB 3.39Å; H199-A203 PolarHBondContact O-N 3.47Å; H199-V245 HydrophobicContact CB-CG1 3.92Å; H199-V245 HydrophobicContact CB-CG2 3.74Å
200S98.7Very high98.7Very high0 Ų033.3 Ų33.30%019%0.189CC..Hα-helixtrans-69.5-32.3-173.671.80000112.8E194 A198 A204 V225 K226E194-S200 PolarHBondContact OE1-N 3.42Å; E194-S200 VanDerWaalsContact OE1-N 3.08Å; A198-S200 VanDerWaalsContact C-N 3.3Å; A198-S200 PolarHBondContact O-N 3.46Å; A198-S200 VanDerWaalsContact O-N 3.11Å; S200-A204 WeakPolarHBondContact O-CB 3.48Å; S200-A204 PolarHBondContact O-N 2.86Å; S200-V225 WeakPolarHBondContact CB-O 3.45Å; S200-V225 PolarHBondContact OG-O 2.8Å; S200-V225 VanDerWaalsContact OG-O 3.08Å; S200-K226 WeakPolarHBondContact CB-O 3.1Å
201F98.9Very high98.6Very high0 Ų035.1 Ų35.10%020%0.2CC..Hα-helixtrans-72.1-43.7176.1177.7-111.7000111.2V167 L173 A192 E194 H199 A203 A204 T205 V228 A232 F236 I241V167-F201 HydrophobicContact CB-CB 4.36Å; V167-F201 HydrophobicContact CG1-CB 3.62Å; V167-F201 HydrophobicContact CG1-CD1 4.37Å; V167-F201 HydrophobicContact CG1-CG 3.96Å; V167-F201 HydrophobicContact CG2-CD1 4.34Å; L173-F201 HydrophobicContact CD1-CE1 3.95Å; L173-F201 HydrophobicContact CD1-CE2 4.38Å; L173-F201 HydrophobicContact CD1-CZ 3.79Å; A192-F201 HydrophobicContact CB-CD1 4.06Å; A192-F201 HydrophobicContact CB-CE1 3.65Å; E194-F201 VanDerWaalsContact OE1-CB 3.32Å; E194-F201 WeakPolarHBondContact OE1-CB 3.39Å; E194-F201 PolarHBondContact OE1-N 2.89Å; E194-F201 WeakPolarHBondContact OE2-CB 3.33Å; E194-F201 PolarHBondContact OE2-N 3.48Å; H199-F201 VanDerWaalsContact C-N 3.34Å; H199-F201 PolarHBondContact O-N 3.2Å; F201-A203 VanDerWaalsContact C-N 3.34Å; F201-A203 PolarHBondContact O-N 3.35Å; F201-A204 PolarHBondContact O-N 3.5Å; F201-T205 HydrophobicContact CD1-CG2 4.41Å; F201-T205 HydrophobicContact CD2-CG2 3.99Å; F201-T205 HydrophobicContact CE1-CG2 4.1Å; F201-T205 HydrophobicContact CE2-CG2 3.65Å; F201-T205 HydrophobicContact CG-CG2 4.37Å; F201-T205 HydrophobicContact CZ-CG2 3.73Å; F201-T205 WeakPolarHBondContact O-CB 3.41Å; F201-T205 VanDerWaalsContact O-CG2 3.29Å; F201-T205 WeakPolarHBondContact O-CG2 3.43Å; F201-T205 PolarHBondContact O-N 3.18Å; F201-T205 PolarHBondContact O-OG1 2.93Å; F201-V228 HydrophobicContact CB-CB 4.37Å; F201-V228 HydrophobicContact CB-CG2 4.08Å; F201-V228 HydrophobicContact CD2-CG1 4.35Å; F201-V228 HydrophobicContact CD2-CG2 3.99Å; F201-V228 HydrophobicContact CG-CG2 4.49Å; F201-A232 HydrophobicContact CD2-CB 4.3Å; F201-A232 HydrophobicContact CE2-CB 4.23Å; F201-A232 WeakPolarHBondContact CE2-O 3.2Å; F201-F236 HydrophobicContact CE1-CD2 4.2Å; F201-F236 HydrophobicContact CE2-CB 4.15Å; F201-F236 HydrophobicContact CZ-CB 3.94Å; F201-F236 AromaticContact CZ-CD2 3.74Å; F201-F236 HydrophobicContact CZ-CD2 3.74Å; F201-F236 HydrophobicContact CZ-CG 4.19Å; F201-I241 HydrophobicContact CE1-CG2 4Å; F201-I241 HydrophobicContact CZ-CG2 4.05Å
202H98.9Very high98.6Very high64 Ų6439.1 Ų39.130%0.29623%0.228SC..Hα-helixtrans-59.1-44.1172.9-173.181.1000112.3E194 H199 A204 T205 T206 S243 V245E194-H202 WeakPolarHBondContact OE2-CB 3.46Å; E194-H202 PolarHBondContact OE2-N 3Å; H199-H202 HydrophobicContact CB-CB 4.11Å; H199-H202 PolarHBondContact O-N 3.34Å; H202-A204 VanDerWaalsContact C-N 3.35Å; H202-A204 PolarHBondContact O-N 3.29Å; H202-T205 WeakPolarHBondContact CA-OG1 3.2Å; H202-T205 PolarHBondContact O-N 3.11Å; H202-T205 PolarHBondContact O-OG1 3.5Å; H202-T206 VanDerWaalsContact O-CB 3.27Å; H202-T206 WeakPolarHBondContact O-CB 3.14Å; H202-T206 PolarHBondContact O-N 3.01Å; H202-T206 PolarHBondContact O-OG1 3.37Å; H202-S243 VanDerWaalsContact CA-OG 3.27Å; H202-S243 WeakPolarHBondContact CA-OG 3.47Å; H202-S243 WeakPolarHBondContact CB-OG 3.44Å; H202-S243 PolarHBondContact ND1-O 3.32Å; H202-S243 PolarHBondContact ND1-OG 3.49Å; H202-V245 HydrophobicContact CB-CG2 3.43Å; H202-V245 VanDerWaalsContact CB-CG2 3.43Å
203A98.8Very high98.5Very high21 Ų2140 Ų4017%0.17423%0.233CC..Hα-helixtrans-61.1-43.3176.600000111.8H199 F201 A207 V211 L213H199-A203 WeakPolarHBondContact O-CB 3.39Å; H199-A203 PolarHBondContact O-N 3.47Å; F201-A203 VanDerWaalsContact C-N 3.34Å; F201-A203 PolarHBondContact O-N 3.35Å; A203-A207 VanDerWaalsContact O-CB 3.25Å; A203-A207 WeakPolarHBondContact O-CB 3.43Å; A203-A207 PolarHBondContact O-N 3.15Å; A203-V211 VanDerWaalsContact C-CG2 3.43Å; A203-V211 HydrophobicContact CB-CG2 3.47Å; A203-V211 VanDerWaalsContact CB-CG2 3.47Å; A203-L213 HydrophobicContact CB-CD2 4.14Å
204A98.8Very high98.3Very high0 Ų046.2 Ų46.20%027%0.273CS..Hα-helixtrans-68.9-41.818000000113S200 F201 H202 A207 G208 K209 V211 V228 L233S200-A204 WeakPolarHBondContact O-CB 3.48Å; S200-A204 PolarHBondContact O-N 2.86Å; F201-A204 PolarHBondContact O-N 3.5Å; H202-A204 VanDerWaalsContact C-N 3.35Å; H202-A204 PolarHBondContact O-N 3.29Å; A204-A207 PolarHBondContact O-N 3.46Å; A204-G208 PolarHBondContact O-N 3.19Å; A204-K209 CarbonylContact C-O 3.52Å; A204-K209 VanDerWaalsContact CA-O 3.25Å; A204-K209 WeakPolarHBondContact CA-O 3.45Å; A204-K209 PolarHBondContact O-N 3.38Å; A204-K209 VanDerWaalsContact O-O 3.09Å; A204-V211 HydrophobicContact CB-CG2 4.34Å; A204-V228 HydrophobicContact CB-CG1 3.86Å; A204-L233 HydrophobicContact CB-CD1 4.3Å; A204-L233 HydrophobicContact CB-CD2 4.49Å
205T98.8Very high98.1Very high16 Ų1653.2 Ų53.210%0.09830%0.303CS..Hα-helixtrans-68-41.5179.248.90000111.5F201 H202 A207 G208 L233 F236F201-T205 HydrophobicContact CD1-CG2 4.41Å; F201-T205 HydrophobicContact CD2-CG2 3.99Å; F201-T205 HydrophobicContact CE1-CG2 4.1Å; F201-T205 HydrophobicContact CE2-CG2 3.65Å; F201-T205 HydrophobicContact CG-CG2 4.37Å; F201-T205 HydrophobicContact CZ-CG2 3.73Å; F201-T205 WeakPolarHBondContact O-CB 3.41Å; F201-T205 VanDerWaalsContact O-CG2 3.29Å; F201-T205 WeakPolarHBondContact O-CG2 3.43Å; F201-T205 PolarHBondContact O-N 3.18Å; F201-T205 PolarHBondContact O-OG1 2.93Å; H202-T205 WeakPolarHBondContact CA-OG1 3.2Å; H202-T205 PolarHBondContact O-N 3.11Å; H202-T205 PolarHBondContact O-OG1 3.5Å; T205-A207 VanDerWaalsContact C-N 3.35Å; T205-A207 PolarHBondContact O-N 3.03Å; T205-G208 PolarHBondContact O-N 2.91Å; T205-L233 HydrophobicContact CG2-CD1 3.94Å; T205-F236 HydrophobicContact CG2-CB 3.83Å; T205-F236 HydrophobicContact CG2-CD1 3.54Å; T205-F236 HydrophobicContact CG2-CD2 3.49Å; T205-F236 VanDerWaalsContact CG2-CD2 3.49Å; T205-F236 HydrophobicContact CG2-CE1 3.91Å; T205-F236 HydrophobicContact CG2-CE2 3.87Å; T205-F236 HydrophobicContact CG2-CG 3.31Å; T205-F236 HydrophobicContact CG2-CZ 4.07Å
206T98.6Very high97.9Very high103 Ų10355.1 Ų55.163%0.63231%0.313SS*.Hα-helixtrans-62.5-40.4173.2-58.90000112.1H202 G208H202-T206 VanDerWaalsContact O-CB 3.27Å; H202-T206 WeakPolarHBondContact O-CB 3.14Å; H202-T206 PolarHBondContact O-N 3.01Å; H202-T206 PolarHBondContact O-OG1 3.37Å; T206-G208 VanDerWaalsContact C-N 3.32Å
207A98.4Very high97.8Very high50 Ų5052.9 Ų52.941%0.41331%0.311SS..Hα-helixtrans-79.2-11.6179.800000114A203 A204 T205 K209 V211A203-A207 VanDerWaalsContact O-CB 3.25Å; A203-A207 WeakPolarHBondContact O-CB 3.43Å; A203-A207 PolarHBondContact O-N 3.15Å; A204-A207 PolarHBondContact O-N 3.46Å; T205-A207 VanDerWaalsContact C-N 3.35Å; T205-A207 PolarHBondContact O-N 3.03Å; A207-K209 HydrophobicContact CB-CG 4.28Å; A207-K209 PolarHBondContact O-N 2.89Å; A207-V211 HydrophobicContact CB-CG1 3.71Å
208G98.1Very high97.8Very high54 Ų5453 Ų5356%0.55731%0.311SS*.THydrogen-bonded Turntrans65.212.3-172.900000114.6A204 T205 T206A204-G208 PolarHBondContact O-N 3.19Å; T205-G208 PolarHBondContact O-N 2.91Å; T206-G208 VanDerWaalsContact C-N 3.32Å
209K98.5Very high97.7Very high142 Ų14253.9 Ų53.962%0.61732%0.317SS*.SBendtrans-155.7160.8-179.465.3-178.3176.6-177.90110.3A204 A207 V211 L233A204-K209 CarbonylContact C-O 3.52Å; A204-K209 VanDerWaalsContact CA-O 3.25Å; A204-K209 WeakPolarHBondContact CA-O 3.45Å; A204-K209 PolarHBondContact O-N 3.38Å; A204-K209 VanDerWaalsContact O-O 3.09Å; A207-K209 HydrophobicContact CB-CG 4.28Å; A207-K209 PolarHBondContact O-N 2.89Å; K209-V211 HydrophobicContact CG-CG1 4.38Å; K209-V211 PolarHBondContact O-N 3.16Å; K209-L233 VanDerWaalsContact C-CD2 3.41Å
210L98.4Very high97.6Very high74 Ų7452.3 Ų52.339%0.38731%0.309SS..  trans-60.6131.2174.3-66.2179.8000110.5T227 V228 A230 L233L210-T227 HydrophobicContact CB-CG2 4.3Å; L210-V228 HydrophobicContact CD2-CG1 3.72Å; L210-V228 WeakPolarHBondContact CD2-O 3.35Å; L210-A230 HydrophobicContact CD1-CB 3.98Å; L210-L233 HydrophobicContact CD2-CB 4.04Å; L210-L233 HydrophobicContact CD2-CD2 3.91Å; L210-L233 HydrophobicContact CG-CD2 4.09Å
211V97.6Very high97.3Very high39 Ų3960 Ų6024%0.23634%0.343CS..  trans-131.6147.3174.4-610000109A203 A204 A207 K209A203-V211 VanDerWaalsContact C-CG2 3.43Å; A203-V211 HydrophobicContact CB-CG2 3.47Å; A203-V211 VanDerWaalsContact CB-CG2 3.47Å; A204-V211 HydrophobicContact CB-CG2 4.34Å; A207-V211 HydrophobicContact CB-CG1 3.71Å; K209-V211 HydrophobicContact CG-CG1 4.38Å; K209-V211 PolarHBondContact O-N 3.16Å
212S98.3Very high97Very high83 Ų8362.1 Ų62.158%0.5836%0.361SS*.  trans-104.2121.1178.5-52.70000109.2K226 T227S212-K226 CarbonylContact C-O 3.5Å; S212-K226 WeakPolarHBondContact CA-O 3.45Å; S212-T227 WeakPolarHBondContact CA-OG1 3.35Å; S212-T227 WeakPolarHBondContact CB-OG1 3.16Å; S212-T227 PolarHBondContact OG-OG1 3.03Å
213L97.3Very high96.9Very high19 Ų1959.3 Ų59.310%0.09935%0.348CS..  trans-60.5132.9168.6-63.1179.4000109A203 K215 I216 K226A203-L213 HydrophobicContact CB-CD2 4.14Å; L213-K215 PolarHBondContact O-N 3.48Å; L213-I216 HydrophobicContact CD1-CD1 4.01Å; L213-K226 PolarHBondContact N-O 2.86Å
214P95.1Very high96.7Very high130 Ų13059.3 Ų59.384%0.84435%0.35SS*.SBendtrans-64-32.6-178.825.1-33.7000111.6
215K94.5Very high96.4Very high147 Ų14760.9 Ų60.964%0.63936%0.359SS*.  trans-152148.1178.7-171174.6179.5-179.80110.1L213 T217L213-K215 PolarHBondContact O-N 3.48Å; K215-T217 HydrophobicContact CB-CG2 4.46Å; K215-T217 HydrophobicContact CD-CG2 4.31Å; K215-T217 HydrophobicContact CG-CG2 4.25Å
216I95.1Very high96.3Very high41 Ų4164.3 Ų64.321%0.2137%0.373CS..  trans-86.7118.6165.2-56.3-55.2000108.1G197 A198 L213 K226G197-I216 WeakPolarHBondContact O-CA 3.4Å; A198-I216 HydrophobicContact CB-CG2 4.33Å; L213-I216 HydrophobicContact CD1-CD1 4.01Å; I216-K226 HydrophobicContact CD1-CG 4.18Å; I216-K226 HydrophobicContact CG1-CG 4.17Å
217T97Very high96.3Very high89 Ų8961.6 Ų61.655%0.54636%0.356SS..  trans-113.7-12.9179.758.40000113.1G197 K215G197-T217 WeakPolarHBondContact CA-OG1 3.45Å; G197-T217 PolarHBondContact O-N 2.94Å; K215-T217 HydrophobicContact CB-CG2 4.46Å; K215-T217 HydrophobicContact CD-CG2 4.31Å; K215-T217 HydrophobicContact CG-CG2 4.25Å
218S97.7Very high96.3Very high7 Ų759.4 Ų59.45%0.04934%0.337CS..SBendtrans-67.5147.4175.9172.90000111.7T195 F196 G197 A220 D248T195-S218 WeakPolarHBondContact CB-OG 3.5Å; T195-S218 WeakPolarHBondContact OG1-CB 3.39Å; T195-S218 PolarHBondContact OG1-OG 2.88Å; F196-S218 WeakPolarHBondContact O-CB 3.42Å; G197-S218 PolarHBondContact O-N 3.45Å; S218-A220 PolarHBondContact O-N 3.34Å; S218-A220 WeakPolarHBondContact OG-CB 3.44Å; S218-A220 PolarHBondContact OG-N 3.46Å; S218-D248 VanDerWaalsContact CA-OD2 3.22Å; S218-D248 WeakPolarHBondContact CA-OD2 3.41Å; S218-D248 WeakPolarHBondContact CB-OD1 3.47Å; S218-D248 PolarHBondContact OG-OD1 3.25Å
219V96.3Very high96.2Very high18 Ų1857 Ų5711%0.10931%0.313CS..SBendtrans-69.8-19.7169.4-53.10000112.9K221 D248 V252 P268 L316 L320V219-K221 PolarHBondContact O-N 3.41Å; V219-D248 HydrophobicContact CG2-CB 3.87Å; V219-D248 PolarHBondContact N-OD2 2.84Å; V219-V252 HydrophobicContact CG2-CG2 4.31Å; V219-P268 HydrophobicContact CG2-CB 4.31Å; V219-P268 HydrophobicContact CG2-CG 4.4Å; V219-L316 HydrophobicContact CB-CD2 3.61Å; V219-L316 HydrophobicContact CG1-CD2 4.06Å; V219-L316 HydrophobicContact CG2-CD2 3.78Å; V219-L320 HydrophobicContact CG1-CD2 4.08Å; V219-L320 HydrophobicContact CG1-CG 4.48Å; V219-L320 HydrophobicContact CG2-CD1 4.38Å
220A95.6Very high96.2Very high1 Ų153 Ų531%0.00831%0.306CS..  trans-76.566.8178.400000112T195 S218 A222 L223 G224 P268T195-A220 HydrophobicContact CG2-CB 4.02Å; T195-A220 WeakPolarHBondContact OG1-CB 3.33Å; S218-A220 PolarHBondContact O-N 3.34Å; S218-A220 WeakPolarHBondContact OG-CB 3.44Å; S218-A220 PolarHBondContact OG-N 3.46Å; A220-A222 PolarHBondContact O-N 2.91Å; A220-L223 HydrophobicContact CB-CB 4.43Å; A220-L223 HydrophobicContact CB-CD1 3.97Å; A220-L223 HydrophobicContact CB-CG 4.08Å; A220-L223 WeakPolarHBondContact O-CB 3.35Å; A220-L223 PolarHBondContact O-N 3.4Å; A220-G224 PolarHBondContact O-N 2.72Å; A220-P268 HydrophobicContact CB-CB 3.81Å
221K92.4Very high96.3Very high162 Ų16252 Ų5270%0.70430%0.3SS*.G310 helixtrans-53.5-30.9-175-66.6-176.2179.6-179.30114.3V219 L223 G224V219-K221 PolarHBondContact O-N 3.41Å; K221-L223 VanDerWaalsContact C-N 3.25Å; K221-L223 PolarHBondContact O-N 2.83Å; K221-G224 PolarHBondContact O-N 3.44Å
222A93.1Very high96.3Very high45 Ų4550.2 Ų50.237%0.37229%0.289SS..G310 helixtrans-70.6-18.2177.300000114A220 A269A220-A222 PolarHBondContact O-N 2.91Å; A222-A269 HydrophobicContact CB-CB 3.75Å
223L96.3Very high96.3Very high4 Ų447.1 Ų47.12%0.02127%0.265CS..G310 helixtrans-87.5-14.5167.8-53.1-175.4000112.3V167 G168 T195 A198 A220 K221 V225 A269 A272V167-L223 WeakPolarHBondContact O-CD2 3.41Å; G168-L223 WeakPolarHBondContact CA-O 3.49Å; T195-L223 HydrophobicContact CG2-CD1 4.42Å; A198-L223 HydrophobicContact CB-CB 3.99Å; A220-L223 HydrophobicContact CB-CB 4.43Å; A220-L223 HydrophobicContact CB-CD1 3.97Å; A220-L223 HydrophobicContact CB-CG 4.08Å; A220-L223 WeakPolarHBondContact O-CB 3.35Å; A220-L223 PolarHBondContact O-N 3.4Å; K221-L223 VanDerWaalsContact C-N 3.25Å; K221-L223 PolarHBondContact O-N 2.83Å; L223-V225 PolarHBondContact O-N 3.02Å; L223-A269 HydrophobicContact CD1-CB 4.4Å; L223-A269 HydrophobicContact CD2-CB 3.58Å; L223-A269 HydrophobicContact CG-CB 3.66Å; L223-A272 HydrophobicContact CD1-CB 3.92Å
224G94.1Very high96.4Very high21 Ų2151.2 Ų51.222%0.21628%0.282CS..  trans-68.662.1-170.800000115.7A220 K221A220-G224 PolarHBondContact O-N 2.72Å; K221-G224 PolarHBondContact O-N 3.44Å
225V94.1Very high96.6Very high33 Ų3345.3 Ų45.320%0.224%0.244CC..  trans-102.4125.1169.9179.10000107.1F136 S200 L223 T227F136-V225 HydrophobicContact CD1-CG2 4.42Å; F136-V225 HydrophobicContact CE1-CG1 3.9Å; F136-V225 HydrophobicContact CE1-CG2 3.94Å; F136-V225 HydrophobicContact CZ-CG1 3.82Å; S200-V225 WeakPolarHBondContact CB-O 3.45Å; S200-V225 PolarHBondContact OG-O 2.8Å; S200-V225 VanDerWaalsContact OG-O 3.08Å; L223-V225 PolarHBondContact O-N 3.02Å; V225-T227 VanDerWaalsContact C-N 3.3Å; V225-T227 WeakPolarHBondContact CG1-O 3.37Å; V225-T227 PolarHBondContact O-N 3.39Å
226K96.1Very high96.8Very high89 Ų8940.9 Ų40.939%0.38723%0.225SC..SBendtrans-66.5-35.1-176.4-66.7179-171.6166.50112.1D114 S200 S212 L213 I216D114-K226 IonicContact OD2-NZ 2.78Å; S200-K226 WeakPolarHBondContact CB-O 3.1Å; S212-K226 CarbonylContact C-O 3.5Å; S212-K226 WeakPolarHBondContact CA-O 3.45Å; L213-K226 PolarHBondContact N-O 2.86Å; I216-K226 HydrophobicContact CD1-CG 4.18Å; I216-K226 HydrophobicContact CG1-CG 4.17Å
227T97.8Very high96.9Very high46 Ų4645.2 Ų45.228%0.28224%0.244SC..SBendtrans-135.7116.6-175.4-43.40000108.2L210 S212 V225L210-T227 HydrophobicContact CB-CG2 4.3Å; S212-T227 WeakPolarHBondContact CA-OG1 3.35Å; S212-T227 WeakPolarHBondContact CB-OG1 3.16Å; S212-T227 PolarHBondContact OG-OG1 3.03Å; V225-T227 VanDerWaalsContact C-N 3.3Å; V225-T227 WeakPolarHBondContact CG1-O 3.37Å; V225-T227 PolarHBondContact O-N 3.39Å
228V98.1Very high96.9Very high3 Ų346.3 Ų46.32%0.01824%0.243CC..  trans-60155.3176.274.10000111.2V167 G169 F201 A204 L210 A232V167-V228 HydrophobicContact CG1-CG2 4.4Å; G169-V228 VanDerWaalsContact O-CG2 3.3Å; G169-V228 WeakPolarHBondContact O-CG2 3.29Å; F201-V228 HydrophobicContact CB-CB 4.37Å; F201-V228 HydrophobicContact CB-CG2 4.08Å; F201-V228 HydrophobicContact CD2-CG1 4.35Å; F201-V228 HydrophobicContact CD2-CG2 3.99Å; F201-V228 HydrophobicContact CG-CG2 4.49Å; A204-V228 HydrophobicContact CB-CG1 3.86Å; L210-V228 HydrophobicContact CD2-CG1 3.72Å; L210-V228 WeakPolarHBondContact CD2-O 3.35Å; V228-A232 HydrophobicContact CG2-CB 3.64Å
229G98Very high97Very high4 Ų446.5 Ų46.54%0.04124%0.243CC..  trans-62.8145.5173.600000112.2G169 Q231 A232G169-G229 PolarHBondContact O-N 2.54Å; G229-Q231 PolarHBondContact O-N 2.97Å; G229-A232 WeakPolarHBondContact O-CB 3.44Å; G229-A232 PolarHBondContact O-N 3.32Å; G229-A232 VanDerWaalsContact O-N 3.08Å
230A98.5Very high97.1Very high58 Ų5848.1 Ų48.148%0.47925%0.254SS..Hα-helixtrans-57.2-37.8-178.100000112.6L210 A232 L233 K234L210-A230 HydrophobicContact CD1-CB 3.98Å; A230-A232 VanDerWaalsContact C-N 3.31Å; A230-A232 PolarHBondContact O-N 2.68Å; A230-L233 PolarHBondContact O-N 3.36Å; A230-K234 PolarHBondContact O-N 3.47Å
231Q98.7Very high97.2Very high54 Ų5448.7 Ų48.725%0.25226%0.257SS..Hα-helixtrans-63.7-35.7179.2-17566.29.800112.5W142 C174 G229 K234 L235W142-Q231 HydrophobicContact CD2-CG 4.48Å; W142-Q231 HydrophobicContact CE3-CG 4Å; W142-Q231 HydrophobicContact CH2-CB 3.38Å; W142-Q231 HydrophobicContact CH2-CG 3.56Å; W142-Q231 HydrophobicContact CZ2-CB 3.68Å; W142-Q231 HydrophobicContact CZ2-CG 4.06Å; W142-Q231 HydrophobicContact CZ3-CB 3.92Å; W142-Q231 HydrophobicContact CZ3-CG 3.53Å; C174-Q231 HydrophobicContact CB-CG 4.46Å; G229-Q231 PolarHBondContact O-N 2.97Å; Q231-K234 WeakPolarHBondContact O-CB 3Å; Q231-K234 PolarHBondContact O-N 3.23Å; Q231-L235 HydrophobicContact CG-CD1 4.07Å; Q231-L235 HydrophobicContact CG-CG 4.34Å; Q231-L235 VanDerWaalsContact O-CG 3.31Å; Q231-L235 WeakPolarHBondContact O-CG 3.39Å; Q231-L235 PolarHBondContact O-N 2.95Å
232A98.7Very high97.5Very high0 Ų042.9 Ų42.90%023%0.232CC..Hα-helixtrans-64.8-44179.200000111.1L173 F201 V228 G229 A230 K234 L235 F236L173-A232 HydrophobicContact CD2-CB 4.12Å; F201-A232 HydrophobicContact CD2-CB 4.3Å; F201-A232 HydrophobicContact CE2-CB 4.23Å; F201-A232 WeakPolarHBondContact CE2-O 3.2Å; V228-A232 HydrophobicContact CG2-CB 3.64Å; G229-A232 WeakPolarHBondContact O-CB 3.44Å; G229-A232 PolarHBondContact O-N 3.32Å; G229-A232 VanDerWaalsContact O-N 3.08Å; A230-A232 VanDerWaalsContact C-N 3.31Å; A230-A232 PolarHBondContact O-N 2.68Å; A232-K234 VanDerWaalsContact C-N 3.34Å; A232-L235 PolarHBondContact O-N 3.32Å; A232-F236 PolarHBondContact O-N 3.11Å; A232-F236 VanDerWaalsContact O-N 3.12Å
233L98.8Very high97.8Very high18 Ų1841.6 Ų41.69%0.09422%0.22CC..Hα-helixtrans-64.5-39.5174.9178.562.7000111.8A204 T205 K209 L210 A230 F236A204-L233 HydrophobicContact CB-CD1 4.3Å; A204-L233 HydrophobicContact CB-CD2 4.49Å; T205-L233 HydrophobicContact CG2-CD1 3.94Å; K209-L233 VanDerWaalsContact C-CD2 3.41Å; L210-L233 HydrophobicContact CD2-CB 4.04Å; L210-L233 HydrophobicContact CD2-CD2 3.91Å; L210-L233 HydrophobicContact CG-CD2 4.09Å; A230-L233 PolarHBondContact O-N 3.36Å; L233-F236 WeakPolarHBondContact O-CB 3.28Å; L233-F236 PolarHBondContact O-N 3.02Å
234K98.8Very high97.9Very high105 Ų10542.9 Ų42.946%0.45723%0.226SC..Hα-helixtrans-58.3-49.7174.4177.5178.5174.6173.20111.1A230 Q231 A232 F236 Q237 E238A230-K234 PolarHBondContact O-N 3.47Å; Q231-K234 WeakPolarHBondContact O-CB 3Å; Q231-K234 PolarHBondContact O-N 3.23Å; A232-K234 VanDerWaalsContact C-N 3.34Å; K234-F236 VanDerWaalsContact C-N 3.25Å; K234-F236 PolarHBondContact O-N 3.19Å; K234-Q237 WeakPolarHBondContact O-CB 3.4Å; K234-Q237 PolarHBondContact O-N 3.43Å; K234-E238 VanDerWaalsContact CE-CD 3.47Å; K234-E238 WeakPolarHBondContact CE-OE1 3.45Å; K234-E238 WeakPolarHBondContact CE-OE2 3.32Å; K234-E238 IonicContact NZ-OE1 3Å; K234-E238 PolarHBondContact O-N 3.29Å
235L98.7Very high98.2Very high7 Ų743.9 Ų43.94%0.03723%0.228CC..Hα-helixtrans-65-27.5-178.6-70.5173.2000113.3L173 C174 V177 Q231 A232 Q237 E238 H239L173-L235 HydrophobicContact CD2-CB 4.41Å; C174-L235 HydrophobicContact CB-CD1 3.96Å; V177-L235 HydrophobicContact CB-CD1 4.13Å; V177-L235 HydrophobicContact CG1-CB 4.43Å; V177-L235 HydrophobicContact CG1-CD1 4.19Å; V177-L235 HydrophobicContact CG1-CD2 3.82Å; V177-L235 HydrophobicContact CG1-CG 4.37Å; Q231-L235 HydrophobicContact CG-CD1 4.07Å; Q231-L235 HydrophobicContact CG-CG 4.34Å; Q231-L235 VanDerWaalsContact O-CG 3.31Å; Q231-L235 WeakPolarHBondContact O-CG 3.39Å; Q231-L235 PolarHBondContact O-N 2.95Å; A232-L235 PolarHBondContact O-N 3.32Å; L235-Q237 PolarHBondContact O-N 3.47Å; L235-E238 PolarHBondContact O-N 3.33Å; L235-E238 VanDerWaalsContact O-N 3.07Å; L235-H239 WeakPolarHBondContact O-CB 3.47Å; L235-H239 PolarHBondContact O-N 3.01Å
236F98.6Very high98.4Very high53 Ų5342.8 Ų42.823%0.23222%0.221CC..Hα-helixtrans-59.7-29.8171.3-178.5-95.8000113F201 T205 A232 L233 K234 I241F201-F236 HydrophobicContact CE1-CD2 4.2Å; F201-F236 HydrophobicContact CE2-CB 4.15Å; F201-F236 HydrophobicContact CZ-CB 3.94Å; F201-F236 AromaticContact CZ-CD2 3.74Å; F201-F236 HydrophobicContact CZ-CD2 3.74Å; F201-F236 HydrophobicContact CZ-CG 4.19Å; T205-F236 HydrophobicContact CG2-CB 3.83Å; T205-F236 HydrophobicContact CG2-CD1 3.54Å; T205-F236 HydrophobicContact CG2-CD2 3.49Å; T205-F236 VanDerWaalsContact CG2-CD2 3.49Å; T205-F236 HydrophobicContact CG2-CE1 3.91Å; T205-F236 HydrophobicContact CG2-CE2 3.87Å; T205-F236 HydrophobicContact CG2-CG 3.31Å; T205-F236 HydrophobicContact CG2-CZ 4.07Å; A232-F236 PolarHBondContact O-N 3.11Å; A232-F236 VanDerWaalsContact O-N 3.12Å; L233-F236 WeakPolarHBondContact O-CB 3.28Å; L233-F236 PolarHBondContact O-N 3.02Å; K234-F236 VanDerWaalsContact C-N 3.25Å; K234-F236 PolarHBondContact O-N 3.19Å; F236-I241 HydrophobicContact CD2-CB 3.79Å; F236-I241 HydrophobicContact CD2-CG2 3.97Å; F236-I241 HydrophobicContact CE2-CB 4.33Å; F236-I241 HydrophobicContact CE2-CG2 4.47Å; F236-I241 VanDerWaalsContact CE2-O 3.25Å; F236-I241 WeakPolarHBondContact CE2-O 3.21Å
237Q96.8Very high98.5Very high133 Ų13340.2 Ų40.262%0.62121%0.213SC*.Hα-helixtrans-83.5-18.1176.2-55.6-63.5-31.800112.7K234 L235K234-Q237 WeakPolarHBondContact O-CB 3.4Å; K234-Q237 PolarHBondContact O-N 3.43Å; L235-Q237 PolarHBondContact O-N 3.47Å
238E98.1Very high98.6Very high112 Ų11238.7 Ų38.752%0.52320%0.204SC..Hα-helixtrans-110.2-12.3-169.8-64.9177.317000113.4K234 L235K234-E238 VanDerWaalsContact CE-CD 3.47Å; K234-E238 WeakPolarHBondContact CE-OE1 3.45Å; K234-E238 WeakPolarHBondContact CE-OE2 3.32Å; K234-E238 IonicContact NZ-OE1 3Å; K234-E238 PolarHBondContact O-N 3.29Å; L235-E238 PolarHBondContact O-N 3.33Å; L235-E238 VanDerWaalsContact O-N 3.07Å
239H98.8Very high98.6Very high10 Ų1042.5 Ų42.55%0.04622%0.221CC..SBendtrans-136.9147.8-176.5-165.487.1000110.3V177 G186 V188 L235 I241V177-H239 HydrophobicContact CG1-CB 3.78Å; V177-H239 HydrophobicContact CG2-CB 4.34Å; G186-H239 PolarHBondContact O-CE1 3.28Å; G186-H239 PolarHBondContact O-ND1 3.07Å; V188-H239 PolarHBondContact O-NE2 2.82Å; L235-H239 WeakPolarHBondContact O-CB 3.47Å; L235-H239 PolarHBondContact O-N 3.01Å; H239-I241 HydrophobicContact CB-CD1 4.34Å; H239-I241 HydrophobicContact CB-CG1 4.14Å; H239-I241 PolarHBondContact O-N 3.33Å
240P98.6Very high98.6Very high52 Ų5245.5 Ų45.534%0.33823%0.234SC..  trans-65.79817426-35.3000111.1P189 V190P189-P240 CarbonylContact C-O 3.4Å; P189-P240 VanDerWaalsContact CA-O 3.26Å; P189-P240 WeakPolarHBondContact CA-O 3.18Å; P189-P240 HydrophobicContact CB-CB 4.29Å; V190-P240 PolarHBondContact N-O 3.19Å
241I98.9Very high98.6Very high13 Ų1342.8 Ų42.87%0.06721%0.212CC..EExtended strand (participates in β ladder)trans-121.9127.6179.5-54.5-175000109.8L173 V177 V190 A192 F201 F236 H239L173-I241 HydrophobicContact CD1-CD1 4.05Å; L173-I241 HydrophobicContact CD1-CG2 4.13Å; L173-I241 HydrophobicContact CD2-CD1 3.91Å; L173-I241 HydrophobicContact CG-CD1 4.16Å; V177-I241 HydrophobicContact CG2-CD1 4Å; V190-I241 HydrophobicContact CB-CG1 4.29Å; V190-I241 CarbonylContact O-C 3.58Å; V190-I241 VanDerWaalsContact O-CA 3.31Å; V190-I241 WeakPolarHBondContact O-CA 3.34Å; A192-I241 HydrophobicContact CB-CG2 3.78Å; F201-I241 HydrophobicContact CE1-CG2 4Å; F201-I241 HydrophobicContact CZ-CG2 4.05Å; F236-I241 HydrophobicContact CD2-CB 3.79Å; F236-I241 HydrophobicContact CD2-CG2 3.97Å; F236-I241 HydrophobicContact CE2-CB 4.33Å; F236-I241 HydrophobicContact CE2-CG2 4.47Å; F236-I241 VanDerWaalsContact CE2-O 3.25Å; F236-I241 WeakPolarHBondContact CE2-O 3.21Å; H239-I241 HydrophobicContact CB-CD1 4.34Å; H239-I241 HydrophobicContact CB-CG1 4.14Å; H239-I241 PolarHBondContact O-N 3.33Å
242F98.9Very high98.6Very high41 Ų4140.2 Ų40.218%0.1820%0.2CC..EExtended strand (participates in β ladder)trans-100.5112.7172.1-60.3-66.5000109.4P189 V190 I191 A192 L285 N290 L291P189-F242 HydrophobicContact CB-CD2 4.09Å; P189-F242 HydrophobicContact CB-CE2 3.6Å; P189-F242 HydrophobicContact CG-CE2 4.5Å; V190-F242 PolarHBondContact O-N 3.3Å; I191-F242 HydrophobicContact CG1-CD2 4.49Å; A192-F242 PolarHBondContact N-O 3.05Å; F242-L285 HydrophobicContact CB-CD1 4.12Å; F242-L285 HydrophobicContact CB-CD2 4.32Å; F242-L285 HydrophobicContact CD1-CD2 4.18Å; F242-L285 HydrophobicContact CD2-CD1 4.32Å; F242-L285 HydrophobicContact CG-CD1 4.23Å; F242-L285 HydrophobicContact CG-CD2 4.19Å; F242-N290 HydrophobicContact CD1-CB 4.25Å; F242-N290 HydrophobicContact CE1-CB 3.63Å; F242-N290 HydrophobicContact CZ-CB 3.92Å; F242-N290 WeakPolarHBondContact CZ-O 3.48Å; F242-L291 HydrophobicContact CD2-CD2 4.23Å; F242-L291 HydrophobicContact CE2-CD2 3.66Å; F242-L291 HydrophobicContact CE2-CG 4.18Å
243S98.9Very high98.6Very high17 Ų1741.5 Ų41.512%0.11921%0.21CC..EExtended strand (participates in β ladder)trans-89.7108.4178.5-178.20000109.9H202H202-S243 VanDerWaalsContact CA-OG 3.27Å; H202-S243 WeakPolarHBondContact CA-OG 3.47Å; H202-S243 WeakPolarHBondContact CB-OG 3.44Å; H202-S243 PolarHBondContact ND1-O 3.32Å; H202-S243 PolarHBondContact ND1-OG 3.49Å
244E98.9Very high98.6Very high31 Ų3140.7 Ų40.715%0.14521%0.206CC..EExtended strand (participates in β ladder)trans-122.1135.2-174.1-68-73.9146.700110.7A192 M193 E194 V281 K284A192-E244 PolarHBondContact O-N 3.4Å; M193-E244 WeakPolarHBondContact CA-O 3.21Å; M193-E244 HydrophobicContact CE-CB 4.11Å; M193-E244 HydrophobicContact SD-CB 3.73Å; E194-E244 PolarHBondContact N-O 3.02Å; E244-V281 HydrophobicContact CB-CG1 4.06Å; E244-V281 HydrophobicContact CG-CG1 3.65Å; E244-K284 IonicContact OE1-NZ 2.7Å; E244-K284 PolarHBondContact OE1-NZ 3.3Å; E244-K284 IonicContact OE2-NZ 3.76Å; E244-K284 PolarHBondContact OE2-NZ 3.43Å
245V98.9Very high98.6Very high43 Ų4335.7 Ų35.726%0.26118%0.184SC..EExtended strand (participates in β ladder)trans-117126.1-178-175.40000109.3E194 F196 H199 H202E194-V245 WeakPolarHBondContact O-CA 3.36Å; F196-V245 HydrophobicContact CB-CG1 3.97Å; H199-V245 HydrophobicContact CB-CG1 3.92Å; H199-V245 HydrophobicContact CB-CG2 3.74Å; H202-V245 HydrophobicContact CB-CG2 3.43Å; H202-V245 VanDerWaalsContact CB-CG2 3.43Å
246I98.8Very high98.6Very high10 Ų1038.5 Ų38.55%0.05120%0.197CC..EExtended strand (participates in β ladder)trans-114.2167176.450.573.5000110.7M193 E194 T195 F196 E250 A251 A272 A275 V281M193-I246 HydrophobicContact CE-CG1 4.03Å; M193-I246 HydrophobicContact CE-CG2 3.73Å; E194-I246 PolarHBondContact O-N 3.27Å; T195-I246 CarbonylContact C-O 3.53Å; T195-I246 VanDerWaalsContact CA-O 3.27Å; T195-I246 WeakPolarHBondContact CA-O 3.48Å; T195-I246 HydrophobicContact CG2-CD1 3.47Å; T195-I246 VanDerWaalsContact CG2-CD1 3.47Å; F196-I246 PolarHBondContact N-O 3.1Å; I246-E250 HydrophobicContact CB-CB 4.24Å; I246-A251 HydrophobicContact CD1-CB 3.81Å; I246-A272 HydrophobicContact CD1-CB 4.02Å; I246-A275 HydrophobicContact CD1-CB 4.45Å; I246-A275 HydrophobicContact CG1-CB 4.02Å; I246-A275 HydrophobicContact CG2-CB 4.49Å; I246-V281 HydrophobicContact CG2-CG2 4.3Å
247S98.8Very high98.6Very high34 Ų3440.7 Ų40.724%0.23821%0.207CC..  trans-77.2159.8174.363.90000112.4Q249 E250 A251S247-Q249 PolarHBondContact O-N 3.38Å; S247-E250 WeakPolarHBondContact CB-OE2 3.37Å; S247-E250 PolarHBondContact N-OE2 3.48Å; S247-E250 PolarHBondContact O-N 3.11Å; S247-E250 VanDerWaalsContact OG-CG 3.24Å; S247-E250 WeakPolarHBondContact OG-CG 3.24Å; S247-E250 PolarHBondContact OG-N 2.91Å; S247-E250 PolarHBondContact OG-OE2 2.91Å; S247-A251 PolarHBondContact O-N 3.28Å; S247-A251 VanDerWaalsContact O-N 3.11Å
248D98.8Very high98.7Very high15 Ų1534.3 Ų34.38%0.0818%0.177CC..Hα-helixtrans-60.5-34.9171.1-79.2-19.9000111.8T195 S218 V219 E250 A251 V252 L320T195-D248 WeakPolarHBondContact CB-OD1 3.07Å; T195-D248 WeakPolarHBondContact CG2-OD1 3.41Å; S218-D248 VanDerWaalsContact CA-OD2 3.22Å; S218-D248 WeakPolarHBondContact CA-OD2 3.41Å; S218-D248 WeakPolarHBondContact CB-OD1 3.47Å; S218-D248 PolarHBondContact OG-OD1 3.25Å; V219-D248 HydrophobicContact CG2-CB 3.87Å; V219-D248 PolarHBondContact N-OD2 2.84Å; D248-E250 VanDerWaalsContact C-N 3.33Å; D248-E250 PolarHBondContact O-N 2.83Å; D248-A251 PolarHBondContact O-N 2.9Å; D248-V252 WeakPolarHBondContact O-CB 3.45Å; D248-V252 WeakPolarHBondContact O-CG2 3.34Å; D248-V252 PolarHBondContact O-N 3.08Å; D248-L320 HydrophobicContact CB-CD1 3.9Å; D248-L320 HydrophobicContact CB-CD2 3.76Å
249Q98.7Very high98.7Very high83 Ų8330.6 Ų30.639%0.38816%0.162SC..Hα-helixtrans-60.1-43.2175.8-72.779-2.100111.5S247 V252 A253 L320 M322S247-Q249 PolarHBondContact O-N 3.38Å; Q249-V252 PolarHBondContact O-N 2.93Å; Q249-A253 WeakPolarHBondContact O-CB 3.32Å; Q249-A253 PolarHBondContact O-N 2.95Å; Q249-L320 HydrophobicContact CG-CB 4.16Å; Q249-L320 PolarHBondContact NE2-O 3.17Å; Q249-M322 HydrophobicContact CB-SD 4.34Å; Q249-M322 HydrophobicContact CG-CG 4.1Å; Q249-M322 HydrophobicContact CG-SD 4.35Å; Q249-M322 WeakPolarHBondContact O-CE 3.48Å
250E98.7Very high98.7Very high67 Ų6735.5 Ų35.531%0.31319%0.188SC..Hα-helixtrans-66.7-43.1176.9-73.3167.698.400111.9I246 S247 D248 V252 A253 A254 S279I246-E250 HydrophobicContact CB-CB 4.24Å; S247-E250 WeakPolarHBondContact CB-OE2 3.37Å; S247-E250 PolarHBondContact N-OE2 3.48Å; S247-E250 PolarHBondContact O-N 3.11Å; S247-E250 VanDerWaalsContact OG-CG 3.24Å; S247-E250 WeakPolarHBondContact OG-CG 3.24Å; S247-E250 PolarHBondContact OG-N 2.91Å; S247-E250 PolarHBondContact OG-OE2 2.91Å; D248-E250 VanDerWaalsContact C-N 3.33Å; D248-E250 PolarHBondContact O-N 2.83Å; E250-V252 PolarHBondContact O-N 3.47Å; E250-A253 PolarHBondContact O-N 3.39Å; E250-A254 WeakPolarHBondContact O-CB 3.46Å; E250-A254 PolarHBondContact O-N 3.37Å; E250-S279 WeakPolarHBondContact CB-OG 3.19Å; E250-S279 WeakPolarHBondContact CG-OG 3.42Å; E250-S279 WeakPolarHBondContact OE1-CB 3.38Å; E250-S279 PolarHBondContact OE1-OG 3.37Å
251A98.8Very high98.6Very high0 Ų036.1 Ų36.10%019%0.189CC..Hα-helixtrans-60.4-44.9175.200000111.6T195 I246 S247 D248 A254 I255 G271T195-A251 HydrophobicContact CG2-CB 3.74Å; I246-A251 HydrophobicContact CD1-CB 3.81Å; S247-A251 PolarHBondContact O-N 3.28Å; S247-A251 VanDerWaalsContact O-N 3.11Å; D248-A251 PolarHBondContact O-N 2.9Å; A251-A254 WeakPolarHBondContact O-CB 3.27Å; A251-A254 PolarHBondContact O-N 3.39Å; A251-I255 WeakPolarHBondContact O-CG1 3.39Å; A251-I255 PolarHBondContact O-N 2.9Å; A251-G271 WeakPolarHBondContact O-CA 3.49Å
252V98.6Very high98.6Very high0 Ų036.8 Ų36.80%019%0.192CC..Hα-helixtrans-70.5-38.3179.3172.70000111.8V219 D248 Q249 E250 A254 I255 E256 L313 L316 K317 L320 M322V219-V252 HydrophobicContact CG2-CG2 4.31Å; D248-V252 WeakPolarHBondContact O-CB 3.45Å; D248-V252 WeakPolarHBondContact O-CG2 3.34Å; D248-V252 PolarHBondContact O-N 3.08Å; Q249-V252 PolarHBondContact O-N 2.93Å; E250-V252 PolarHBondContact O-N 3.47Å; V252-A254 VanDerWaalsContact C-N 3.26Å; V252-A254 PolarHBondContact O-N 3.37Å; V252-I255 HydrophobicContact CG2-CD1 4.4Å; V252-I255 WeakPolarHBondContact O-CB 3.4Å; V252-I255 PolarHBondContact O-N 2.97Å; V252-I255 VanDerWaalsContact O-N 3.11Å; V252-E256 PolarHBondContact O-N 3.05Å; V252-E256 VanDerWaalsContact O-N 3.15Å; V252-L313 HydrophobicContact CG1-CD1 3.89Å; V252-L316 HydrophobicContact CG1-CB 4.33Å; V252-L316 HydrophobicContact CG2-CB 4.16Å; V252-L316 HydrophobicContact CG2-CD1 4.37Å; V252-K317 HydrophobicContact CG1-CG 3.87Å; V252-L320 HydrophobicContact CB-CD1 4.09Å; V252-L320 HydrophobicContact CG2-CD1 3.63Å; V252-M322 HydrophobicContact CB-CE 4.27Å; V252-M322 HydrophobicContact CB-SD 3.87Å; V252-M322 HydrophobicContact CG1-CE 4.06Å; V252-M322 HydrophobicContact CG1-SD 3.67Å
253A98.4Very high98.6Very high27 Ų2742 Ų4222%0.22321%0.214CC..Hα-helixtrans-63-35.5173.400000111.6Q249 E250 I255 E256 K257 M322Q249-A253 WeakPolarHBondContact O-CB 3.32Å; Q249-A253 PolarHBondContact O-N 2.95Å; E250-A253 PolarHBondContact O-N 3.39Å; A253-I255 VanDerWaalsContact C-N 3.34Å; A253-E256 PolarHBondContact O-N 2.81Å; A253-K257 WeakPolarHBondContact O-CG 3.42Å; A253-K257 PolarHBondContact O-N 3.21Å; A253-M322 HydrophobicContact CB-CE 3.85Å
254A98.7Very high98.6Very high1 Ų143.1 Ų43.11%0.00822%0.219CC..Hα-helixtrans-65.2-35.5173.300000112.3E250 A251 V252 F258 G271 L274 A275 Y278E250-A254 WeakPolarHBondContact O-CB 3.46Å; E250-A254 PolarHBondContact O-N 3.37Å; A251-A254 WeakPolarHBondContact O-CB 3.27Å; A251-A254 PolarHBondContact O-N 3.39Å; V252-A254 VanDerWaalsContact C-N 3.26Å; V252-A254 PolarHBondContact O-N 3.37Å; A254-F258 WeakPolarHBondContact O-CB 3.29Å; A254-F258 PolarHBondContact O-N 2.9Å; A254-G271 WeakPolarHBondContact CB-O 3.34Å; A254-L274 HydrophobicContact CB-CB 3.99Å; A254-A275 HydrophobicContact CB-CB 4.42Å; A254-Y278 HydrophobicContact CB-CD2 3.76Å; A254-Y278 HydrophobicContact CB-CE2 4.46Å
255I98.6Very high98.6Very high0 Ų044.1 Ų44.10%022%0.224CC..Hα-helixtrans-61.3-49.1172.9-57166.9000110.4A251 V252 A253 F258 V259 L265 V266 P268 L313A251-I255 WeakPolarHBondContact O-CG1 3.39Å; A251-I255 PolarHBondContact O-N 2.9Å; V252-I255 HydrophobicContact CG2-CD1 4.4Å; V252-I255 WeakPolarHBondContact O-CB 3.4Å; V252-I255 PolarHBondContact O-N 2.97Å; V252-I255 VanDerWaalsContact O-N 3.11Å; A253-I255 VanDerWaalsContact C-N 3.34Å; I255-F258 PolarHBondContact O-N 3.14Å; I255-V259 PolarHBondContact O-N 2.71Å; I255-L265 HydrophobicContact CG2-CD1 3.68Å; I255-V266 HydrophobicContact CG1-CG2 4.39Å; I255-V266 VanDerWaalsContact CG2-O 3.24Å; I255-V266 WeakPolarHBondContact CG2-O 3.49Å; I255-P268 HydrophobicContact CD1-CB 4.21Å; I255-P268 HydrophobicContact CD1-CG 3.82Å; I255-L313 HydrophobicContact CB-CD1 4.26Å; I255-L313 HydrophobicContact CD1-CD1 4.48Å; I255-L313 HydrophobicContact CG2-CD1 4.06Å; I255-L313 HydrophobicContact CG2-CD2 4.35Å
256E98.1Very high98.6Very high66 Ų6642 Ų4231%0.30821%0.212SC..Hα-helixtrans-60.8-47-178.2-177.5168-148.300111.6V252 A253 F258 V259 D260 K317V252-E256 PolarHBondContact O-N 3.05Å; V252-E256 VanDerWaalsContact O-N 3.15Å; A253-E256 PolarHBondContact O-N 2.81Å; E256-F258 PolarHBondContact O-N 2.8Å; E256-V259 WeakPolarHBondContact O-CG1 3.49Å; E256-D260 PolarHBondContact O-N 2.67Å; E256-K317 IonicContact OE1-NZ 3.19Å; E256-K317 PolarHBondContact OE1-NZ 2.93Å; E256-K317 VanDerWaalsContact OE2-CE 3.27Å; E256-K317 WeakPolarHBondContact OE2-CE 3.46Å; E256-K317 IonicContact OE2-NZ 2.66Å; E256-K317 PolarHBondContact OE2-NZ 2.9Å
257K98.5Very high98.5Very high99 Ų9941.9 Ų41.943%0.4321%0.211SC..Hα-helixtrans-64.2-42.2175.4-67.8175.1-178.1178.40112.2A253 V259 D260 D261 Y278A253-K257 WeakPolarHBondContact O-CG 3.42Å; A253-K257 PolarHBondContact O-N 3.21Å; K257-V259 PolarHBondContact O-N 2.99Å; K257-D260 CarbonylContact O-C 3.48Å; K257-D260 PolarHBondContact O-N 2.82Å; K257-D261 WeakPolarHBondContact O-CB 3.23Å; K257-D261 VanDerWaalsContact O-CG 3.28Å; K257-D261 PolarHBondContact O-N 3.29Å; K257-Y278 HydrophobicContact CB-CD1 4.18Å; K257-Y278 HydrophobicContact CB-CE1 3.7Å; K257-Y278 HydrophobicContact CB-CE2 4.18Å; K257-Y278 HydrophobicContact CD-CD1 3.59Å; K257-Y278 HydrophobicContact CD-CE1 3.91Å; K257-Y278 HydrophobicContact CD-CG 4.03Å; K257-Y278 HydrophobicContact CG-CE1 4.43Å
258F98.8Very high98.4Very high0 Ų040.6 Ų40.60%020%0.202CC..Hα-helixtrans-70-35-174.8-168.3-110.7000113.3L19 L29 M31 A254 I255 E256 D260 E262 I264 V266 L274 Y278 V302L19-F258 HydrophobicContact CD1-CD2 4.42Å; L19-F258 HydrophobicContact CD2-CE2 4.46Å; L29-F258 HydrophobicContact CD1-CE2 3.71Å; L29-F258 HydrophobicContact CD1-CZ 4.07Å; M31-F258 HydrophobicContact CE-CZ 4.43Å; A254-F258 WeakPolarHBondContact O-CB 3.29Å; A254-F258 PolarHBondContact O-N 2.9Å; I255-F258 PolarHBondContact O-N 3.14Å; E256-F258 PolarHBondContact O-N 2.8Å; F258-D260 VanDerWaalsContact C-N 3.3Å; F258-E262 HydrophobicContact CD2-CB 4.13Å; F258-E262 HydrophobicContact CD2-CG 3.98Å; F258-E262 HydrophobicContact CE1-CB 4.31Å; F258-E262 HydrophobicContact CE2-CB 3.82Å; F258-E262 HydrophobicContact CE2-CG 3.55Å; F258-E262 HydrophobicContact CZ-CB 3.9Å; F258-E262 HydrophobicContact CZ-CG 4.05Å; F258-E262 PolarHBondContact O-N 2.86Å; F258-I264 HydrophobicContact CD1-CB 4.31Å; F258-I264 WeakPolarHBondContact CD1-O 3.36Å; F258-I264 HydrophobicContact CE1-CB 3.83Å; F258-I264 HydrophobicContact CE1-CG2 4.23Å; F258-V266 HydrophobicContact CD1-CG1 4.03Å; F258-V266 HydrophobicContact CD1-CG2 4.1Å; F258-V266 HydrophobicContact CE1-CG1 3.95Å; F258-L274 HydrophobicContact CB-CD1 3.79Å; F258-L274 HydrophobicContact CD1-CD1 3.75Å; F258-L274 HydrophobicContact CD2-CD1 3.85Å; F258-L274 HydrophobicContact CD2-CD2 3.56Å; F258-L274 HydrophobicContact CD2-CG 4.35Å; F258-L274 HydrophobicContact CE1-CD1 4.25Å; F258-L274 HydrophobicContact CE2-CD1 4.33Å; F258-L274 HydrophobicContact CE2-CD2 3.53Å; F258-L274 HydrophobicContact CG-CD1 3.53Å; F258-L274 HydrophobicContact CG-CD2 4.14Å; F258-L274 HydrophobicContact CG-CG 4.48Å; F258-L274 HydrophobicContact CZ-CD2 4.12Å; F258-Y278 WeakPolarHBondContact CA-OH 3.36Å; F258-Y278 HydrophobicContact CB-CE2 4.21Å; F258-Y278 HydrophobicContact CD2-CE2 4.4Å; F258-V302 HydrophobicContact CE1-CG1 3.76Å; F258-V302 HydrophobicContact CZ-CG1 3.84Å; F258-V302 HydrophobicContact CZ-CG2 3.9Å
259V98.5Very high98.4Very high34 Ų3440.1 Ų40.121%0.20620%0.2CC..Hα-helixtrans-66.9-35.517368.50000111I255 E256 K257 K263 L265I255-V259 PolarHBondContact O-N 2.71Å; E256-V259 WeakPolarHBondContact O-CG1 3.49Å; K257-V259 PolarHBondContact O-N 2.99Å; V259-K263 WeakPolarHBondContact O-CA 3.48Å; V259-K263 PolarHBondContact O-N 2.85Å; V259-K263 VanDerWaalsContact O-N 3.07Å; V259-L265 HydrophobicContact CB-CD1 4.36Å; V259-L265 HydrophobicContact CG2-CB 4.26Å; V259-L265 HydrophobicContact CG2-CD1 4.44Å
260D98.2Very high98.4Very high112 Ų11236.2 Ų36.260%0.59918%0.182SC*.Hα-helixtrans-74.6-36175.8-77.2-13.1000113E256 K257 F258 K263E256-D260 PolarHBondContact O-N 2.67Å; K257-D260 CarbonylContact O-C 3.48Å; K257-D260 PolarHBondContact O-N 2.82Å; F258-D260 VanDerWaalsContact C-N 3.3Å; D260-K263 PolarHBondContact O-NZ 3.45Å
261D98.3Very high98.4Very high65 Ų6533 Ų3335%0.34817%0.167SC..Hα-helixtrans-77.1-55.7-180-71.6-26000111A18 L19 K257 K263 Y278A18-D261 HydrophobicContact CB-CB 3.95Å; L19-D261 HydrophobicContact CD1-CB 4.47Å; K257-D261 WeakPolarHBondContact O-CB 3.23Å; K257-D261 VanDerWaalsContact O-CG 3.28Å; K257-D261 PolarHBondContact O-N 3.29Å; D261-K263 PolarHBondContact O-NZ 2.86Å; D261-Y278 WeakPolarHBondContact OD2-CE1 3.22Å; D261-Y278 PolarHBondContact OD2-OH 2.96Å
262E98.5Very high98.4Very high27 Ų2733 Ų3313%0.12617%0.167CC..Hα-helixtrans-108.3-3.3-166.1-69.9-67.9159.600114.3R14 S16 L29 F258 I264R14-E262 PolarHBondContact NH1-O 3.02Å; R14-E262 VanDerWaalsContact NH1-O 3.17Å; R14-E262 IonicContact NH1-OE2 3.98Å; R14-E262 PolarHBondContact NH1-OE2 2.92Å; S16-E262 VanDerWaalsContact CB-OE1 3.27Å; S16-E262 WeakPolarHBondContact CB-OE1 3.29Å; S16-E262 PolarHBondContact OG-OE1 3.16Å; L29-E262 HydrophobicContact CD1-CG 3.71Å; F258-E262 HydrophobicContact CD2-CB 4.13Å; F258-E262 HydrophobicContact CD2-CG 3.98Å; F258-E262 HydrophobicContact CE1-CB 4.31Å; F258-E262 HydrophobicContact CE2-CB 3.82Å; F258-E262 HydrophobicContact CE2-CG 3.55Å; F258-E262 HydrophobicContact CZ-CB 3.9Å; F258-E262 HydrophobicContact CZ-CG 4.05Å; F258-E262 PolarHBondContact O-N 2.86Å; E262-I264 PolarHBondContact O-N 2.83Å
263K98.4Very high98.4Very high151 Ų15133 Ų3366%0.65717%0.167SC*.SBendtrans63.924.4179.4-49-60.5177.8-70.10114.1V259 D260 D261V259-K263 WeakPolarHBondContact O-CA 3.48Å; V259-K263 PolarHBondContact O-N 2.85Å; V259-K263 VanDerWaalsContact O-N 3.07Å; D260-K263 PolarHBondContact O-NZ 3.45Å; D261-K263 PolarHBondContact O-NZ 2.86Å
264I98.5Very high98.5Very high41 Ų4131.7 Ų31.721%0.2116%0.156CC..  trans-118.9120.3178.1-53.5-58.9000109.2M31 F258 E262 V266M31-I264 HydrophobicContact CE-CG1 3.71Å; F258-I264 HydrophobicContact CD1-CB 4.31Å; F258-I264 WeakPolarHBondContact CD1-O 3.36Å; F258-I264 HydrophobicContact CE1-CB 3.83Å; F258-I264 HydrophobicContact CE1-CG2 4.23Å; E262-I264 PolarHBondContact O-N 2.83Å; I264-V266 HydrophobicContact CG2-CG1 3.77Å
265L98.6Very high98.5Very high51 Ų5131.7 Ų31.727%0.26716%0.156SC..  trans-83.2129.2170.8-173.466.1000109.7I255 V259 I308 L313I255-L265 HydrophobicContact CG2-CD1 3.68Å; V259-L265 HydrophobicContact CB-CD1 4.36Å; V259-L265 HydrophobicContact CG2-CB 4.26Å; V259-L265 HydrophobicContact CG2-CD1 4.44Å; L265-I308 HydrophobicContact CD1-CG1 4.12Å; L265-I308 HydrophobicContact CD2-CG1 4.12Å; L265-I308 HydrophobicContact CD2-CG2 4.13Å; L265-I308 HydrophobicContact CG-CG1 3.95Å; L265-I308 HydrophobicContact CG-CG2 3.84Å; L265-L313 HydrophobicContact CD1-CD2 4.14Å
266V98.5Very high98.5Very high0 Ų031.7 Ų31.70%016%0.156CC..  trans-131.8160.5-176.7-59.50000111.8I255 F258 I264 C270 L274 V302 I308I255-V266 HydrophobicContact CG1-CG2 4.39Å; I255-V266 VanDerWaalsContact CG2-O 3.24Å; I255-V266 WeakPolarHBondContact CG2-O 3.49Å; F258-V266 HydrophobicContact CD1-CG1 4.03Å; F258-V266 HydrophobicContact CD1-CG2 4.1Å; F258-V266 HydrophobicContact CE1-CG1 3.95Å; I264-V266 HydrophobicContact CG2-CG1 3.77Å; V266-C270 HydrophobicContact CB-CB 3.68Å; V266-C270 HydrophobicContact CG1-CB 4.44Å; V266-C270 HydrophobicContact CG2-CB 3.78Å; V266-L274 HydrophobicContact CG2-CD1 3.8Å; V266-V302 HydrophobicContact CG1-CG1 4.08Å; V266-I308 WeakPolarHBondContact O-CG1 3.31Å
267E96.8Very high98.5Very high6 Ų628.5 Ų28.53%0.02814%0.141CC..  trans-72.9163.6178.7-78.4-175.9-135.200113.1N67 A269 C270 G271 G304 G305 S306 N307 I308N67-E267 PolarHBondContact ND2-OE1 3.41Å; N67-E267 PolarHBondContact OD1-OE1 3.45Å; E267-A269 PolarHBondContact O-N 3.32Å; E267-A269 VanDerWaalsContact O-N 3.16Å; E267-C270 WeakPolarHBondContact O-CA 3.28Å; E267-C270 WeakPolarHBondContact O-CB 3.5Å; E267-C270 PolarHBondContact O-N 3.02Å; E267-G271 PolarHBondContact O-N 3.03Å; E267-G304 PolarHBondContact N-O 3.41Å; E267-G305 WeakPolarHBondContact OE1-CA 3.26Å; E267-S306 PolarHBondContact OE1-N 2.83Å; E267-N307 VanDerWaalsContact CD-N 3.33Å; E267-N307 HydrophobicContact CG-CB 4.18Å; E267-N307 WeakPolarHBondContact OE1-CB 3.48Å; E267-N307 PolarHBondContact OE1-N 2.81Å; E267-I308 HydrophobicContact CG-CB 4.05Å; E267-I308 HydrophobicContact CG-CG2 4.24Å
268P98.3Very high98.5Very high7 Ų724.3 Ų24.35%0.04512%0.123CC..Hα-helixtrans-55.5-32173.1-24.633.3000114.2V219 A220 I255 C270 G271 A272 L316V219-P268 HydrophobicContact CG2-CB 4.31Å; V219-P268 HydrophobicContact CG2-CG 4.4Å; A220-P268 HydrophobicContact CB-CB 3.81Å; I255-P268 HydrophobicContact CD1-CB 4.21Å; I255-P268 HydrophobicContact CD1-CG 3.82Å; P268-C270 VanDerWaalsContact C-N 3.28Å; P268-C270 PolarHBondContact O-N 3.22Å; P268-G271 CarbonylContact O-C 3.55Å; P268-G271 WeakPolarHBondContact O-CA 3.28Å; P268-G271 PolarHBondContact O-N 2.72Å; P268-A272 PolarHBondContact O-N 2.81Å; P268-L316 HydrophobicContact CG-CD1 3.69Å
269A98.2Very high98.5Very high6 Ų625.9 Ų25.95%0.0513%0.134CC..Hα-helixtrans-62-34.5173.600000113.1S166 A222 L223 E267S166-A269 WeakPolarHBondContact CB-O 3.4Å; S166-A269 PolarHBondContact OG-O 3.45Å; A222-A269 HydrophobicContact CB-CB 3.75Å; L223-A269 HydrophobicContact CD1-CB 4.4Å; L223-A269 HydrophobicContact CD2-CB 3.58Å; L223-A269 HydrophobicContact CG-CB 3.66Å; E267-A269 PolarHBondContact O-N 3.32Å; E267-A269 VanDerWaalsContact O-N 3.16Å
270C98.8Very high98.5Very high0 Ų028.8 Ų28.80%015%0.145CC..Hα-helixtrans-79.2-36.6172.8-170.20000111.3V266 E267 P268 A272 A273 L274 C303 G304V266-C270 HydrophobicContact CB-CB 3.68Å; V266-C270 HydrophobicContact CG1-CB 4.44Å; V266-C270 HydrophobicContact CG2-CB 3.78Å; E267-C270 WeakPolarHBondContact O-CA 3.28Å; E267-C270 WeakPolarHBondContact O-CB 3.5Å; E267-C270 PolarHBondContact O-N 3.02Å; P268-C270 VanDerWaalsContact C-N 3.28Å; P268-C270 PolarHBondContact O-N 3.22Å; C270-A272 PolarHBondContact O-N 3Å; C270-A273 WeakPolarHBondContact O-CB 3.29Å; C270-A273 PolarHBondContact O-N 3.49Å; C270-L274 WeakPolarHBondContact O-CG 3.35Å; C270-L274 PolarHBondContact O-N 3.1Å; C270-C303 WeakPolarHBondContact CA-SG 3.38Å; C270-C303 WeakPolarHBondContact CB-SG 2.94Å; C270-C303 PolarHBondContact SG-N 3.07Å; C270-G304 WeakPolarHBondContact CB-O 3.32Å
271G98.8Very high98.5Very high0 Ų023.8 Ų23.80%012%0.118CC..Hα-helixtrans-52-39.2170.500000112.6A251 A254 E267 P268 A273 L274 A275A251-G271 WeakPolarHBondContact O-CA 3.49Å; A254-G271 WeakPolarHBondContact CB-O 3.34Å; E267-G271 PolarHBondContact O-N 3.03Å; P268-G271 CarbonylContact O-C 3.55Å; P268-G271 WeakPolarHBondContact O-CA 3.28Å; P268-G271 PolarHBondContact O-N 2.72Å; G271-A273 PolarHBondContact O-N 2.86Å; G271-L274 PolarHBondContact O-N 2.8Å; G271-A275 WeakPolarHBondContact O-CB 3.18Å; G271-A275 PolarHBondContact O-N 2.94Å
272A98.9Very high98.5Very high0 Ų020.7 Ų20.70%010%0.102CC..Hα-helixtrans-60.1-42.7174.900000113.2M193 T195 L223 I246 P268 C270 A275M193-A272 HydrophobicContact CB-CB 4.42Å; M193-A272 VanDerWaalsContact CB-O 3.26Å; M193-A272 WeakPolarHBondContact CB-O 3.34Å; M193-A272 WeakPolarHBondContact CG-O 3.46Å; T195-A272 HydrophobicContact CG2-CB 4.2Å; L223-A272 HydrophobicContact CD1-CB 3.92Å; I246-A272 HydrophobicContact CD1-CB 4.02Å; P268-A272 PolarHBondContact O-N 2.81Å; C270-A272 PolarHBondContact O-N 3Å; A272-A275 WeakPolarHBondContact O-CB 3.27Å; A272-A275 PolarHBondContact O-N 3.43Å
273A98.9Very high98.5Very high0 Ų021.3 Ų21.30%011%0.105CC..Hα-helixtrans-66.1-41.4175.400000111.6C270 G271 A275 A276 V300C270-A273 WeakPolarHBondContact O-CB 3.29Å; C270-A273 PolarHBondContact O-N 3.49Å; G271-A273 PolarHBondContact O-N 2.86Å; A273-A275 VanDerWaalsContact C-N 3.31Å; A273-A275 PolarHBondContact O-N 2.85Å; A273-A276 WeakPolarHBondContact O-CB 3.4Å; A273-A276 PolarHBondContact O-N 3.41Å; A273-V300 HydrophobicContact CB-CG1 4.43Å
274L98.9Very high98.5Very high0 Ų017.2 Ų17.20%09%0.087CC..Hα-helixtrans-67.1-31.5177.7-68.6165000112.6L19 A254 F258 V266 C270 G271 A276 V277 Y278 V300L19-L274 HydrophobicContact CD2-CD2 4.04Å; A254-L274 HydrophobicContact CB-CB 3.99Å; F258-L274 HydrophobicContact CB-CD1 3.79Å; F258-L274 HydrophobicContact CD1-CD1 3.75Å; F258-L274 HydrophobicContact CD2-CD1 3.85Å; F258-L274 HydrophobicContact CD2-CD2 3.56Å; F258-L274 HydrophobicContact CD2-CG 4.35Å; F258-L274 HydrophobicContact CE1-CD1 4.25Å; F258-L274 HydrophobicContact CE2-CD1 4.33Å; F258-L274 HydrophobicContact CE2-CD2 3.53Å; F258-L274 HydrophobicContact CG-CD1 3.53Å; F258-L274 HydrophobicContact CG-CD2 4.14Å; F258-L274 HydrophobicContact CG-CG 4.48Å; F258-L274 HydrophobicContact CZ-CD2 4.12Å; V266-L274 HydrophobicContact CG2-CD1 3.8Å; C270-L274 WeakPolarHBondContact O-CG 3.35Å; C270-L274 PolarHBondContact O-N 3.1Å; G271-L274 PolarHBondContact O-N 2.8Å; L274-A276 PolarHBondContact O-N 3.42Å; L274-A276 VanDerWaalsContact O-N 3.17Å; L274-V277 PolarHBondContact O-N 3.02Å; L274-Y278 HydrophobicContact CB-CD2 4.03Å; L274-Y278 HydrophobicContact CB-CE2 4.18Å; L274-Y278 WeakPolarHBondContact O-CD2 3.16Å; L274-Y278 PolarHBondContact O-N 2.63Å; L274-V300 HydrophobicContact CD2-CG1 4.17Å
275A98.8Very high98.5Very high0 Ų015.3 Ų15.30%08%0.077CC..Hα-helixtrans-61.8-19.217500000112.4I246 A254 G271 A272 A273 V277 Y278 S279I246-A275 HydrophobicContact CD1-CB 4.45Å; I246-A275 HydrophobicContact CG1-CB 4.02Å; I246-A275 HydrophobicContact CG2-CB 4.49Å; A254-A275 HydrophobicContact CB-CB 4.42Å; G271-A275 WeakPolarHBondContact O-CB 3.18Å; G271-A275 PolarHBondContact O-N 2.94Å; A272-A275 WeakPolarHBondContact O-CB 3.27Å; A272-A275 PolarHBondContact O-N 3.43Å; A273-A275 VanDerWaalsContact C-N 3.31Å; A273-A275 PolarHBondContact O-N 2.85Å; A275-V277 PolarHBondContact O-N 3.26Å; A275-V277 VanDerWaalsContact O-N 3.16Å; A275-Y278 PolarHBondContact O-N 2.85Å; A275-S279 WeakPolarHBondContact O-CA 3.41Å; A275-S279 VanDerWaalsContact O-CB 3.22Å; A275-S279 WeakPolarHBondContact O-CB 3.39Å; A275-S279 PolarHBondContact O-N 3.45Å
276A98.8Very high98.5Very high0 Ų014.8 Ų14.80%07%0.073CC..Hα-helixtrans-52.1-38.8168.900000111.6A164 M193 A273 L274 V281 I282A164-A276 HydrophobicContact CB-CB 3.95Å; M193-A276 HydrophobicContact CE-CB 4.4Å; M193-A276 HydrophobicContact CG-CB 4.08Å; M193-A276 HydrophobicContact SD-CB 3.89Å; A273-A276 WeakPolarHBondContact O-CB 3.4Å; A273-A276 PolarHBondContact O-N 3.41Å; L274-A276 PolarHBondContact O-N 3.42Å; L274-A276 VanDerWaalsContact O-N 3.17Å; A276-V281 WeakPolarHBondContact O-CB 3.37Å; A276-V281 PolarHBondContact O-N 2.86Å; A276-I282 HydrophobicContact CB-CD1 4.29Å; A276-I282 WeakPolarHBondContact O-CG1 3.3Å; A276-I282 PolarHBondContact O-N 3.26Å
277V98.8Very high98.5Very high0 Ų024.4 Ų24.40%011%0.11CC..Hα-helixtrans-88.7-55.1174.6175.80000111.3L19 V22 A23 V27 L274 A275 S279 H280 I282 L298 V300L19-V277 HydrophobicContact CB-CG1 4.11Å; L19-V277 HydrophobicContact CG-CG1 4.19Å; V22-V277 HydrophobicContact CB-CG1 3.9Å; V22-V277 HydrophobicContact CG1-CG1 3.83Å; A23-V277 HydrophobicContact CB-CG1 3.94Å; A23-V277 HydrophobicContact CB-CG2 4.4Å; V27-V277 HydrophobicContact CG1-CG2 4.5Å; V27-V277 HydrophobicContact CG2-CG2 4.28Å; L274-V277 PolarHBondContact O-N 3.02Å; A275-V277 PolarHBondContact O-N 3.26Å; A275-V277 VanDerWaalsContact O-N 3.16Å; V277-S279 VanDerWaalsContact C-N 3.28Å; V277-S279 PolarHBondContact O-N 3.02Å; V277-H280 PolarHBondContact O-N 3.17Å; V277-I282 HydrophobicContact CG2-CG1 4.49Å; V277-L298 HydrophobicContact CG2-CD2 3.58Å; V277-V300 HydrophobicContact CG2-CG2 4.15Å
278Y98.8Very high98.5Very high11 Ų1128.8 Ų28.84%0.04313%0.13CC..Hα-helixtrans-68.4-22.2-170.7-70.6-62000115.1L19 V22 A254 K257 F258 D261 L274 A275L19-Y278 HydrophobicContact CD1-CE1 4.3Å; L19-Y278 HydrophobicContact CD1-CE2 4.43Å; L19-Y278 VanDerWaalsContact CD1-OH 3.23Å; L19-Y278 WeakPolarHBondContact CD1-OH 3.23Å; L19-Y278 HydrophobicContact CD2-CE2 4.32Å; L19-Y278 HydrophobicContact CG-CE1 4.38Å; L19-Y278 HydrophobicContact CG-CE2 4.41Å; V22-Y278 HydrophobicContact CG1-CD1 4.47Å; A254-Y278 HydrophobicContact CB-CD2 3.76Å; A254-Y278 HydrophobicContact CB-CE2 4.46Å; K257-Y278 HydrophobicContact CB-CD1 4.18Å; K257-Y278 HydrophobicContact CB-CE1 3.7Å; K257-Y278 HydrophobicContact CB-CE2 4.18Å; K257-Y278 HydrophobicContact CD-CD1 3.59Å; K257-Y278 HydrophobicContact CD-CE1 3.91Å; K257-Y278 HydrophobicContact CD-CG 4.03Å; K257-Y278 HydrophobicContact CG-CE1 4.43Å; F258-Y278 WeakPolarHBondContact CA-OH 3.36Å; F258-Y278 HydrophobicContact CB-CE2 4.21Å; F258-Y278 HydrophobicContact CD2-CE2 4.4Å; D261-Y278 WeakPolarHBondContact OD2-CE1 3.22Å; D261-Y278 PolarHBondContact OD2-OH 2.96Å; L274-Y278 HydrophobicContact CB-CD2 4.03Å; L274-Y278 HydrophobicContact CB-CE2 4.18Å; L274-Y278 WeakPolarHBondContact O-CD2 3.16Å; L274-Y278 PolarHBondContact O-N 2.63Å; A275-Y278 PolarHBondContact O-N 2.85Å
279S98.4Very high98.5Very high33 Ų3331.5 Ų31.523%0.23116%0.16CC..THydrogen-bonded Turntrans-101.112.5172.7-65.40000112.9E250 A275 V277 V281E250-S279 WeakPolarHBondContact CB-OG 3.19Å; E250-S279 WeakPolarHBondContact CG-OG 3.42Å; E250-S279 WeakPolarHBondContact OE1-CB 3.38Å; E250-S279 PolarHBondContact OE1-OG 3.37Å; A275-S279 WeakPolarHBondContact O-CA 3.41Å; A275-S279 VanDerWaalsContact O-CB 3.22Å; A275-S279 WeakPolarHBondContact O-CB 3.39Å; A275-S279 PolarHBondContact O-N 3.45Å; V277-S279 VanDerWaalsContact C-N 3.28Å; V277-S279 PolarHBondContact O-N 3.02Å; S279-V281 VanDerWaalsContact C-N 3.27Å; S279-V281 PolarHBondContact O-N 3.23Å
280H98.4Very high98.5Very high94 Ų9434.9 Ų34.944%0.43518%0.177SC..THydrogen-bonded Turntrans59.131.2176-53.1-73.7000115.3V277 I282 Q283 K284V277-H280 PolarHBondContact O-N 3.17Å; H280-I282 VanDerWaalsContact C-N 3.28Å; H280-I282 PolarHBondContact O-N 2.97Å; H280-Q283 HydrophobicContact CB-CB 4.46Å; H280-Q283 PolarHBondContact ND1-NE2 2.81Å; H280-Q283 PolarHBondContact O-N 2.83Å; H280-K284 PolarHBondContact O-N 3.14Å
281V98.8Very high98.4Very high8 Ų835.4 Ų35.45%0.04818%0.179CC..Hα-helixtrans-64.4-36.4177.2-178.10000110.5M193 E244 I246 A276 S279 Q283 K284 L285M193-V281 HydrophobicContact CE-CG2 3.99Å; M193-V281 HydrophobicContact SD-CG1 4.39Å; E244-V281 HydrophobicContact CB-CG1 4.06Å; E244-V281 HydrophobicContact CG-CG1 3.65Å; I246-V281 HydrophobicContact CG2-CG2 4.3Å; A276-V281 WeakPolarHBondContact O-CB 3.37Å; A276-V281 PolarHBondContact O-N 2.86Å; S279-V281 VanDerWaalsContact C-N 3.27Å; S279-V281 PolarHBondContact O-N 3.23Å; V281-Q283 PolarHBondContact O-N 3.46Å; V281-K284 WeakPolarHBondContact O-CB 3.27Å; V281-K284 PolarHBondContact O-N 3.43Å; V281-L285 HydrophobicContact CG1-CD1 4.15Å; V281-L285 HydrophobicContact CG1-CG 4.37Å; V281-L285 WeakPolarHBondContact O-CG 3.47Å; V281-L285 PolarHBondContact O-N 3.3Å
282I98.4Very high98.3Very high0 Ų040.7 Ų40.70%020%0.204CC..Hα-helixtrans-57.4-49.8174.6-51.6-52000110.8I191 A276 V277 H280 K284 L285 Q286 L291 L295 L298I191-I282 HydrophobicContact CD1-CD1 3.26Å; A276-I282 HydrophobicContact CB-CD1 4.29Å; A276-I282 WeakPolarHBondContact O-CG1 3.3Å; A276-I282 PolarHBondContact O-N 3.26Å; V277-I282 HydrophobicContact CG2-CG1 4.49Å; H280-I282 VanDerWaalsContact C-N 3.28Å; H280-I282 PolarHBondContact O-N 2.97Å; I282-K284 VanDerWaalsContact C-N 3.35Å; I282-K284 PolarHBondContact O-N 3.38Å; I282-L285 PolarHBondContact O-N 3.05Å; I282-Q286 WeakPolarHBondContact O-CG 3.34Å; I282-Q286 PolarHBondContact O-N 3.38Å; I282-L291 HydrophobicContact CG2-CD1 4.47Å; I282-L295 HydrophobicContact CG2-CD2 4.19Å; I282-L298 HydrophobicContact CD1-CD1 4.07Å; I282-L298 HydrophobicContact CD1-CD2 3.65Å; I282-L298 HydrophobicContact CG1-CD2 3.78Å
283Q98.4Very high98Very high39 Ų3944.2 Ų44.218%0.18223%0.233CC..Hα-helixtrans-69.5-32.3-179.9-63.492.2-3200112.4V22 A23 H280 V281 R287V22-Q283 PolarHBondContact O-NE2 3.32Å; A23-Q283 PolarHBondContact O-NE2 3.13Å; A23-Q283 VanDerWaalsContact O-NE2 3.12Å; H280-Q283 HydrophobicContact CB-CB 4.46Å; H280-Q283 PolarHBondContact ND1-NE2 2.81Å; H280-Q283 PolarHBondContact O-N 2.83Å; V281-Q283 PolarHBondContact O-N 3.46Å; Q283-R287 WeakPolarHBondContact O-CB 3.26Å; Q283-R287 VanDerWaalsContact O-CG 3.32Å; Q283-R287 WeakPolarHBondContact O-CG 3.38Å; Q283-R287 PolarHBondContact O-N 3.2Å; Q283-R287 PolarHBondContact O-NE 3.47Å
284K98.5Very high97.7Very high66 Ų6649.9 Ų49.929%0.28727%0.27SS..Hα-helixtrans-58.6-54.5169.3170.6-177.1168.5-76.70110.1E244 H280 V281 I282 Q286 R287 E288E244-K284 IonicContact OE1-NZ 2.7Å; E244-K284 PolarHBondContact OE1-NZ 3.3Å; E244-K284 IonicContact OE2-NZ 3.76Å; E244-K284 PolarHBondContact OE2-NZ 3.43Å; H280-K284 PolarHBondContact O-N 3.14Å; V281-K284 WeakPolarHBondContact O-CB 3.27Å; V281-K284 PolarHBondContact O-N 3.43Å; I282-K284 VanDerWaalsContact C-N 3.35Å; I282-K284 PolarHBondContact O-N 3.38Å; K284-Q286 VanDerWaalsContact C-N 3.3Å; K284-Q286 PolarHBondContact O-N 2.9Å; K284-R287 PolarHBondContact O-N 3.38Å; K284-R287 VanDerWaalsContact O-N 3.11Å; K284-E288 WeakPolarHBondContact CE-OE1 3.44Å; K284-E288 VanDerWaalsContact CG-OE1 3.28Å; K284-E288 WeakPolarHBondContact CG-OE1 3.42Å; K284-E288 IonicContact NZ-OE1 3.54Å; K284-E288 PolarHBondContact NZ-OE1 3.34Å; K284-E288 IonicContact NZ-OE2 2.95Å; K284-E288 PolarHBondContact NZ-OE2 2.84Å; K284-E288 WeakPolarHBondContact O-CG 3.3Å; K284-E288 PolarHBondContact O-N 2.87Å
285L98.6Very high97.6Very high0 Ų050.2 Ų50.20%027%0.272CS..Hα-helixtrans-61.7-35.7-179.6-70.2173000112.6I191 F242 V281 I282 E288 G289 N290 L291I191-L285 HydrophobicContact CD1-CD1 4.23Å; I191-L285 HydrophobicContact CG1-CD1 4.21Å; I191-L285 HydrophobicContact CG2-CD1 4.24Å; F242-L285 HydrophobicContact CB-CD1 4.12Å; F242-L285 HydrophobicContact CB-CD2 4.32Å; F242-L285 HydrophobicContact CD1-CD2 4.18Å; F242-L285 HydrophobicContact CD2-CD1 4.32Å; F242-L285 HydrophobicContact CG-CD1 4.23Å; F242-L285 HydrophobicContact CG-CD2 4.19Å; V281-L285 HydrophobicContact CG1-CD1 4.15Å; V281-L285 HydrophobicContact CG1-CG 4.37Å; V281-L285 WeakPolarHBondContact O-CG 3.47Å; V281-L285 PolarHBondContact O-N 3.3Å; I282-L285 PolarHBondContact O-N 3.05Å; L285-E288 PolarHBondContact O-N 3Å; L285-G289 PolarHBondContact O-N 3.3Å; L285-N290 HydrophobicContact CB-CB 4.28Å; L285-N290 HydrophobicContact CD2-CB 3.9Å; L285-N290 WeakPolarHBondContact O-CB 3.42Å; L285-N290 PolarHBondContact O-N 3.37Å; L285-L291 HydrophobicContact CB-CB 4.21Å; L285-L291 HydrophobicContact CB-CD1 3.74Å; L285-L291 HydrophobicContact CB-CG 3.84Å; L285-L291 HydrophobicContact CD1-CD1 3.81Å; L285-L291 HydrophobicContact CD1-CG 4.3Å; L285-L291 HydrophobicContact CG-CD1 4.45Å; L285-L291 PolarHBondContact O-N 3.04Å; L285-L291 VanDerWaalsContact O-N 3.11Å
286Q98.1Very high97.4Very high41 Ų4152.9 Ų52.919%0.19229%0.289CS..Hα-helixtrans-64.9-44173-75.1177.4-40.500112.6I282 K284 E288 G289 L291 Q292 A293I282-Q286 WeakPolarHBondContact O-CG 3.34Å; I282-Q286 PolarHBondContact O-N 3.38Å; K284-Q286 VanDerWaalsContact C-N 3.3Å; K284-Q286 PolarHBondContact O-N 2.9Å; Q286-E288 VanDerWaalsContact C-N 3.29Å; Q286-E288 PolarHBondContact O-N 2.95Å; Q286-G289 PolarHBondContact O-N 2.86Å; Q286-G289 VanDerWaalsContact O-N 3.15Å; Q286-L291 HydrophobicContact CG-CB 3.97Å; Q286-Q292 PolarHBondContact NE2-O 3.39Å; Q286-Q292 VanDerWaalsContact NE2-O 3.1Å; Q286-A293 HydrophobicContact CB-CB 4.29Å; Q286-A293 HydrophobicContact CG-CB 4.28Å
287R98.1Very high97.4Very high202 Ų20253 Ų5376%0.76229%0.29SS*.Hα-helixtrans-66.2-32.1177.1-74.9-176.6-651670.7112.8Q283 K284 G289Q283-R287 WeakPolarHBondContact O-CB 3.26Å; Q283-R287 VanDerWaalsContact O-CG 3.32Å; Q283-R287 WeakPolarHBondContact O-CG 3.38Å; Q283-R287 PolarHBondContact O-N 3.2Å; Q283-R287 PolarHBondContact O-NE 3.47Å; K284-R287 PolarHBondContact O-N 3.38Å; K284-R287 VanDerWaalsContact O-N 3.11Å; R287-G289 PolarHBondContact O-N 3.44Å
288E97.8Very high97.4Very high97 Ų9753 Ų5345%0.45329%0.29SS..THydrogen-bonded Turntrans-76.6-6.4175.9-69.7169.7175.700112.8K284 L285 Q286 N290K284-E288 WeakPolarHBondContact CE-OE1 3.44Å; K284-E288 VanDerWaalsContact CG-OE1 3.28Å; K284-E288 WeakPolarHBondContact CG-OE1 3.42Å; K284-E288 IonicContact NZ-OE1 3.54Å; K284-E288 PolarHBondContact NZ-OE1 3.34Å; K284-E288 IonicContact NZ-OE2 2.95Å; K284-E288 PolarHBondContact NZ-OE2 2.84Å; K284-E288 WeakPolarHBondContact O-CG 3.3Å; K284-E288 PolarHBondContact O-N 2.87Å; L285-E288 PolarHBondContact O-N 3Å; Q286-E288 VanDerWaalsContact C-N 3.29Å; Q286-E288 PolarHBondContact O-N 2.95Å; E288-N290 PolarHBondContact O-N 2.94Å; E288-N290 PolarHBondContact OE2-ND2 3.15Å
289G97.6Very high97.4Very high65 Ų6552.5 Ų52.567%0.6729%0.288SS*.THydrogen-bonded Turntrans74.99-176.100000114.1L285 Q286 R287L285-G289 PolarHBondContact O-N 3.3Å; Q286-G289 PolarHBondContact O-N 2.86Å; Q286-G289 VanDerWaalsContact O-N 3.15Å; R287-G289 PolarHBondContact O-N 3.44Å
290N97.4Very high97.4Very high77 Ų7750.9 Ų50.941%0.41228%0.277SS..SBendtrans-78.9-29.5178.6-73-34.2000112.1F242 L285 E288F242-N290 HydrophobicContact CD1-CB 4.25Å; F242-N290 HydrophobicContact CE1-CB 3.63Å; F242-N290 HydrophobicContact CZ-CB 3.92Å; F242-N290 WeakPolarHBondContact CZ-O 3.48Å; L285-N290 HydrophobicContact CB-CB 4.28Å; L285-N290 HydrophobicContact CD2-CB 3.9Å; L285-N290 WeakPolarHBondContact O-CB 3.42Å; L285-N290 PolarHBondContact O-N 3.37Å; E288-N290 PolarHBondContact O-N 2.94Å; E288-N290 PolarHBondContact OE2-ND2 3.15Å
291L97.8Very high97.4Very high10 Ų1046.5 Ų46.55%0.05226%0.256CS..SBendtrans-120.6146.5172.2-73.3179.3000111.3A162 P189 I191 F242 I282 L285 Q286A162-L291 HydrophobicContact CB-CD2 4.47Å; P189-L291 HydrophobicContact CB-CD2 4Å; P189-L291 HydrophobicContact CG-CD2 3.53Å; I191-L291 HydrophobicContact CD1-CD1 3.9Å; F242-L291 HydrophobicContact CD2-CD2 4.23Å; F242-L291 HydrophobicContact CE2-CD2 3.66Å; F242-L291 HydrophobicContact CE2-CG 4.18Å; I282-L291 HydrophobicContact CG2-CD1 4.47Å; L285-L291 HydrophobicContact CB-CB 4.21Å; L285-L291 HydrophobicContact CB-CD1 3.74Å; L285-L291 HydrophobicContact CB-CG 3.84Å; L285-L291 HydrophobicContact CD1-CD1 3.81Å; L285-L291 HydrophobicContact CD1-CG 4.3Å; L285-L291 HydrophobicContact CG-CD1 4.45Å; L285-L291 PolarHBondContact O-N 3.04Å; L285-L291 VanDerWaalsContact O-N 3.11Å; Q286-L291 HydrophobicContact CG-CB 3.97Å
292Q95.1Very high97.4Very high112 Ų11246.1 Ų46.152%0.52325%0.254SS..  trans-63.6143.9175.164.4-178.9-15.700112.1Q286 P294 L295Q286-Q292 PolarHBondContact NE2-O 3.39Å; Q286-Q292 VanDerWaalsContact NE2-O 3.1Å; Q292-P294 CarbonylContact O-C 3.45Å; Q292-L295 HydrophobicContact CG-CD1 3.79Å; Q292-L295 PolarHBondContact O-N 3.01Å
293A93.7Very high97.4Very high74 Ų7446.4 Ų46.461%0.61226%0.256SS*.SBendtrans-128.6117.6172.800000108.7Q286Q286-A293 HydrophobicContact CB-CB 4.29Å; Q286-A293 HydrophobicContact CG-CB 4.28Å
294P92.4Very high97.4Very high118 Ų11844.8 Ų44.877%0.76625%0.25SC*.SBendcis-72.1147.3230.9-35000113.1Q292Q292-P294 CarbonylContact O-C 3.45Å
295L96.3Very high97.1Very high7 Ų742.2 Ų42.24%0.03724%0.242CC..  trans-84.1129.2169.1-168.471.3000108.5T25 A162 I282 Q292 L298T25-L295 HydrophobicContact CG2-CB 4.36Å; T25-L295 HydrophobicContact CG2-CD2 4.2Å; T25-L295 PolarHBondContact OG1-O 3.25Å; A162-L295 HydrophobicContact CB-CD2 4.31Å; I282-L295 HydrophobicContact CG2-CD2 4.19Å; Q292-L295 HydrophobicContact CG-CD1 3.79Å; Q292-L295 PolarHBondContact O-N 3.01Å; L295-L298 HydrophobicContact CD2-CB 4.16Å
296P95.1Very high96.5Very high57 Ų5743.4 Ų43.437%0.3725%0.25SS..SBendtrans-58.1-54.4-179.8-26.333.3000112.6
297S98.4Very high95.8Very high2 Ų243.7 Ų43.71%0.01425%0.253CS..EExtended strand (participates in β ladder)trans-161.316017256.40000110.7S26 G161 A162S26-S297 CarbonylContact O-C 3.57Å; S26-S297 VanDerWaalsContact O-CA 3.27Å; S26-S297 WeakPolarHBondContact O-CA 3.36Å; G161-S297 VanDerWaalsContact CA-O 3.23Å; G161-S297 WeakPolarHBondContact CA-O 3.47Å; G161-S297 PolarHBondContact N-O 2.96Å; A162-S297 PolarHBondContact N-O 3.01Å
298L98.8Very high95.6Very high0 Ų034.7 Ų34.70%022%0.22CC..EExtended strand (participates in β ladder)trans-116132172.6173.469.9000109.1S26 V27 Y28 A162 A164 I191 V277 I282 L295 V300S26-L298 PolarHBondContact O-N 3.42Å; V27-L298 CarbonylContact C-O 3.5Å; V27-L298 WeakPolarHBondContact CA-O 3.32Å; V27-L298 HydrophobicContact CG2-CB 4.42Å; V27-L298 HydrophobicContact CG2-CD2 4.32Å; Y28-L298 PolarHBondContact N-O 2.9Å; A162-L298 HydrophobicContact CB-CD1 3.81Å; A164-L298 HydrophobicContact CB-CD1 4.18Å; I191-L298 HydrophobicContact CD1-CD1 4.12Å; V277-L298 HydrophobicContact CG2-CD2 3.58Å; I282-L298 HydrophobicContact CD1-CD1 4.07Å; I282-L298 HydrophobicContact CD1-CD2 3.65Å; I282-L298 HydrophobicContact CG1-CD2 3.78Å; L295-L298 HydrophobicContact CD2-CB 4.16Å; L298-V300 HydrophobicContact CD2-CG2 3.81Å; L298-V300 HydrophobicContact CG-CG2 4.06Å
299V98.9Very high95.4Very high0 Ų031.7 Ų31.70%021%0.21CC..EExtended strand (participates in β ladder)trans-98126.1164.4178.70000109.1Y28 K30 L152 L156 P160 A162 I163 A164 I301Y28-V299 CarbonylContact O-C 3.48Å; Y28-V299 VanDerWaalsContact O-CA 3.27Å; Y28-V299 WeakPolarHBondContact O-CA 3.38Å; K30-V299 HydrophobicContact CB-CG1 4.21Å; L152-V299 HydrophobicContact CD1-CG1 4.01Å; L152-V299 HydrophobicContact CD2-CG1 3.82Å; L152-V299 HydrophobicContact CD2-CG2 4.34Å; L156-V299 HydrophobicContact CD1-CG2 3.83Å; P160-V299 HydrophobicContact CB-CG2 3.76Å; P160-V299 HydrophobicContact CG-CG2 4.11Å; A162-V299 PolarHBondContact O-N 3.5Å; I163-V299 CarbonylContact C-O 3.49Å; I163-V299 VanDerWaalsContact CA-O 3.28Å; I163-V299 WeakPolarHBondContact CA-O 3.47Å; I163-V299 HydrophobicContact CG1-CB 4.22Å; A164-V299 PolarHBondContact N-O 3.13Å; V299-I301 HydrophobicContact CG1-CD1 3.94Å
300V98.9Very high95.3Very high0 Ų033.7 Ų33.70%020%0.204CC..EExtended strand (participates in β ladder)trans-103.3123.3169-173.80000108.8V27 Y28 L29 K30 A164 A273 L274 V277 L298 V302V27-V300 HydrophobicContact CG1-CG2 3.93Å; Y28-V300 PolarHBondContact O-N 3.34Å; L29-V300 HydrophobicContact CD2-CB 3.96Å; L29-V300 HydrophobicContact CD2-CG2 4.38Å; K30-V300 PolarHBondContact N-O 2.88Å; A164-V300 HydrophobicContact CB-CG1 4.45Å; A164-V300 HydrophobicContact CB-CG2 4.29Å; A273-V300 HydrophobicContact CB-CG1 4.43Å; L274-V300 HydrophobicContact CD2-CG1 4.17Å; V277-V300 HydrophobicContact CG2-CG2 4.15Å; L298-V300 HydrophobicContact CD2-CG2 3.81Å; L298-V300 HydrophobicContact CG-CG2 4.06Å; V300-V302 PolarHBondContact O-N 3.49Å
301I98.9Very high95.1Very high1 Ų133.1 Ų33.11%0.00521%0.21CC..EExtended strand (participates in β ladder)trans-77.6103.7172.7-53.1-51000108.8K30 I148 L152 I163 A164 L165 L172 V299 C303K30-I301 HydrophobicContact CB-CD1 3.7Å; K30-I301 HydrophobicContact CG-CD1 4.03Å; I148-I301 HydrophobicContact CD1-CB 4.47Å; I148-I301 HydrophobicContact CD1-CD1 3.65Å; I148-I301 HydrophobicContact CD1-CG1 4.16Å; I148-I301 HydrophobicContact CD1-CG2 3.54Å; I148-I301 HydrophobicContact CG1-CD1 4.3Å; L152-I301 HydrophobicContact CD1-CD1 4.42Å; I163-I301 HydrophobicContact CG2-CD1 4.01Å; I163-I301 HydrophobicContact CG2-CG1 3.82Å; A164-I301 PolarHBondContact O-N 3.18Å; L165-I301 HydrophobicContact CB-CB 4.23Å; L165-I301 HydrophobicContact CB-CG1 4.2Å; L172-I301 HydrophobicContact CD2-CG2 4.24Å; V299-I301 HydrophobicContact CG1-CD1 3.94Å; I301-C303 PolarHBondContact O-N 3.2Å
302V98.9Very high95Very high0 Ų035.2 Ų35.20%022%0.22CC..  trans-77.681.7175.2-173.40000107.7L29 K30 M31 D32 S33 F258 V266 V300 G304L29-V302 HydrophobicContact CB-CG2 3.89Å; L29-V302 HydrophobicContact CD2-CG2 4.2Å; L29-V302 HydrophobicContact CG-CG2 4.5Å; K30-V302 WeakPolarHBondContact O-CB 3.44Å; K30-V302 PolarHBondContact O-N 3.29Å; M31-V302 HydrophobicContact CE-CG1 4.47Å; M31-V302 HydrophobicContact SD-CB 4.36Å; M31-V302 HydrophobicContact SD-CG2 3.98Å; D32-V302 CarbonylContact C-O 3.59Å; D32-V302 WeakPolarHBondContact CA-O 3.25Å; D32-V302 WeakPolarHBondContact CB-O 3.38Å; D32-V302 PolarHBondContact N-O 3.4Å; S33-V302 PolarHBondContact N-O 3.24Å; F258-V302 HydrophobicContact CE1-CG1 3.76Å; F258-V302 HydrophobicContact CZ-CG1 3.84Å; F258-V302 HydrophobicContact CZ-CG2 3.9Å; V266-V302 HydrophobicContact CG1-CG1 4.08Å; V300-V302 PolarHBondContact O-N 3.49Å; V302-G304 PolarHBondContact O-N 3.34Å; V302-G304 VanDerWaalsContact O-N 3.11Å
303C98.3Very high95Very high7 Ų730.4 Ų30.45%0.04720%0.198CC..  trans-64.4-17.9-171.866.40000113.4S39 F40 C270 I301S39-C303 VanDerWaalsContact CA-O 3.26Å; S39-C303 WeakPolarHBondContact CA-O 3.32Å; S39-C303 WeakPolarHBondContact CB-O 3.47Å; F40-C303 HydrophobicContact CD1-CB 3.58Å; F40-C303 HydrophobicContact CE1-CB 3.96Å; F40-C303 HydrophobicContact CG-CB 4.48Å; F40-C303 PolarHBondContact N-O 3.29Å; C270-C303 WeakPolarHBondContact CA-SG 3.38Å; C270-C303 WeakPolarHBondContact CB-SG 2.94Å; C270-C303 PolarHBondContact SG-N 3.07Å; I301-C303 PolarHBondContact O-N 3.2Å
304G97.5Very high95.1Very high4 Ų434.7 Ų34.74%0.04120%0.198CC..BIsolated β-bridgetrans79.7-124.8172.100000112.5E267 C270 V302E267-G304 PolarHBondContact N-O 3.41Å; C270-G304 WeakPolarHBondContact CB-O 3.32Å; V302-G304 PolarHBondContact O-N 3.34Å; V302-G304 VanDerWaalsContact O-N 3.11Å
305G91.9Very high95.3Very high12 Ų1231.5 Ų31.512%0.12418%0.182CC..  trans115.6144.2179.100000112.8G38 N67 E267G38-G305 PolarHBondContact O-N 3Å; N67-G305 WeakPolarHBondContact ND2-CA 3.32Å; N67-G305 WeakPolarHBondContact OD1-CA 3.5Å; E267-G305 WeakPolarHBondContact OE1-CA 3.26Å
306S86.7Confident95.3Very high25 Ų2532.1 Ų32.118%0.17519%0.185CC..SBendtrans-95.6-20.2-177.857.60000113.8N67 R98 E267 I308N67-S306 PolarHBondContact OD1-N 3.29Å; N67-S306 PolarHBondContact OD1-OG 2.79Å; R98-S306 PolarHBondContact NH1-O 3.32Å; E267-S306 PolarHBondContact OE1-N 2.83Å; S306-I308 PolarHBondContact O-N 3.3Å
307N83.3Confident95.3Very high47 Ų4729.7 Ų29.725%0.25117%0.169SC..SBendtrans-82.747.7-176.5-168.140.6000113.4E267 Q312E267-N307 VanDerWaalsContact CD-N 3.33Å; E267-N307 HydrophobicContact CG-CB 4.18Å; E267-N307 WeakPolarHBondContact OE1-CB 3.48Å; E267-N307 PolarHBondContact OE1-N 2.81Å; N307-Q312 PolarHBondContact OD1-NE2 3.27Å; N307-Q312 VanDerWaalsContact OD1-NE2 3.14Å
308I93.4Very high95.2Very high14 Ų1437.3 Ų37.37%0.07220%0.204CC..  trans-141.6151172.4-164.664.4000110.3L265 V266 E267 S306 Q312 L313 L316L265-I308 HydrophobicContact CD1-CG1 4.12Å; L265-I308 HydrophobicContact CD2-CG1 4.12Å; L265-I308 HydrophobicContact CD2-CG2 4.13Å; L265-I308 HydrophobicContact CG-CG1 3.95Å; L265-I308 HydrophobicContact CG-CG2 3.84Å; V266-I308 WeakPolarHBondContact O-CG1 3.31Å; E267-I308 HydrophobicContact CG-CB 4.05Å; E267-I308 HydrophobicContact CG-CG2 4.24Å; S306-I308 PolarHBondContact O-N 3.3Å; I308-Q312 VanDerWaalsContact CA-OE1 3.24Å; I308-Q312 HydrophobicContact CD1-CB 4.14Å; I308-L313 HydrophobicContact CD1-CB 4.31Å; I308-L316 HydrophobicContact CD1-CD1 3.95Å
309S93.9Very high95.1Very high33 Ų3343.9 Ų43.923%0.23124%0.235CC..  trans-158.1169.5173.856.80000107.9A311 Q312 L313S309-A311 VanDerWaalsContact C-N 3.29Å; S309-A311 PolarHBondContact O-N 3.32Å; S309-Q312 PolarHBondContact O-N 2.82Å; S309-Q312 WeakPolarHBondContact OG-CB 3.46Å; S309-Q312 VanDerWaalsContact OG-CG 3.32Å; S309-Q312 WeakPolarHBondContact OG-CG 3.23Å; S309-Q312 PolarHBondContact OG-N 3.17Å; S309-Q312 PolarHBondContact OG-OE1 3.03Å; S309-L313 PolarHBondContact O-N 3Å
310L95.4Very high95Very high107 Ų10745.2 Ų45.256%0.5624%0.242SC*.Hα-helixtrans-57.1-44.5176.8-62.4179.2000111.9Q312 L313 W314L310-Q312 PolarHBondContact O-N 3.48Å; L310-L313 PolarHBondContact O-N 3.41Å; L310-W314 PolarHBondContact O-N 3.1Å
311A94.4Very high94.9Very high65 Ų6548.2 Ų48.254%0.53727%0.272SS..Hα-helixtrans-61.8-4217700000112.2S309 W314 A315S309-A311 VanDerWaalsContact C-N 3.29Å; S309-A311 PolarHBondContact O-N 3.32Å; A311-W314 PolarHBondContact O-N 2.78Å; A311-A315 WeakPolarHBondContact O-CB 3.42Å; A311-A315 PolarHBondContact O-N 3.48Å
312Q94.1Very high94.6Very high54 Ų5450 Ų5025%0.25228%0.281SS..Hα-helixtrans-67.7-38.2176.4-72.7168.9-58.300112.1N307 I308 S309 L310 A315 L316N307-Q312 PolarHBondContact OD1-NE2 3.27Å; N307-Q312 VanDerWaalsContact OD1-NE2 3.14Å; I308-Q312 VanDerWaalsContact CA-OE1 3.24Å; I308-Q312 HydrophobicContact CD1-CB 4.14Å; S309-Q312 PolarHBondContact O-N 2.82Å; S309-Q312 WeakPolarHBondContact OG-CB 3.46Å; S309-Q312 VanDerWaalsContact OG-CG 3.32Å; S309-Q312 WeakPolarHBondContact OG-CG 3.23Å; S309-Q312 PolarHBondContact OG-N 3.17Å; S309-Q312 PolarHBondContact OG-OE1 3.03Å; L310-Q312 PolarHBondContact O-N 3.48Å; Q312-A315 PolarHBondContact O-N 3.34Å; Q312-L316 WeakPolarHBondContact O-CB 3.36Å; Q312-L316 WeakPolarHBondContact O-CG 3.37Å; Q312-L316 PolarHBondContact O-N 3.33Å
313L96.1Very high93.7Very high12 Ų1256 Ų566%0.06332%0.319CS..Hα-helixtrans-61.2-46.1175.4177.558.1000111V252 I255 L265 I308 S309 L310 L316 K317V252-L313 HydrophobicContact CG1-CD1 3.89Å; I255-L313 HydrophobicContact CB-CD1 4.26Å; I255-L313 HydrophobicContact CD1-CD1 4.48Å; I255-L313 HydrophobicContact CG2-CD1 4.06Å; I255-L313 HydrophobicContact CG2-CD2 4.35Å; L265-L313 HydrophobicContact CD1-CD2 4.14Å; I308-L313 HydrophobicContact CD1-CB 4.31Å; S309-L313 PolarHBondContact O-N 3Å; L310-L313 PolarHBondContact O-N 3.41Å; L313-L316 PolarHBondContact O-N 3.38Å; L313-K317 HydrophobicContact CD1-CG 4.49Å; L313-K317 WeakPolarHBondContact O-CG 3.19Å; L313-K317 PolarHBondContact O-N 2.88Å
314W95.9Very high91.9Very high163 Ų16361.4 Ų61.462%0.61735%0.347SS*.Hα-helixtrans-62.6-44.2175.6-67.2-32.8000112.7L310 A311 L316 K317 E318L310-W314 PolarHBondContact O-N 3.1Å; A311-W314 PolarHBondContact O-N 2.78Å; W314-L316 VanDerWaalsContact C-N 3.29Å; W314-L316 PolarHBondContact O-N 2.83Å; W314-K317 PolarHBondContact O-N 3.07Å; W314-E318 PolarHBondContact O-N 3.15Å
315A95.4Very high89.4Confident51 Ų5164.1 Ų64.142%0.42138%0.375SS..Hα-helixtrans-60.7-38.9176.300000112.2A311 Q312 E318 Q319A311-A315 WeakPolarHBondContact O-CB 3.42Å; A311-A315 PolarHBondContact O-N 3.48Å; Q312-A315 PolarHBondContact O-N 3.34Å; A315-E318 PolarHBondContact O-N 3.23Å; A315-Q319 VanDerWaalsContact O-CB 3.26Å; A315-Q319 WeakPolarHBondContact O-CB 3.35Å; A315-Q319 PolarHBondContact O-N 2.96Å
316L96.4Very high86.9Confident21 Ų2171.1 Ų71.111%0.1141%0.409CS..Hα-helixtrans-64.2-44.5174.9-74168.4000111.7V219 V252 P268 I308 Q312 L313 W314 Q319 L320V219-L316 HydrophobicContact CB-CD2 3.61Å; V219-L316 HydrophobicContact CG1-CD2 4.06Å; V219-L316 HydrophobicContact CG2-CD2 3.78Å; V252-L316 HydrophobicContact CG1-CB 4.33Å; V252-L316 HydrophobicContact CG2-CB 4.16Å; V252-L316 HydrophobicContact CG2-CD1 4.37Å; P268-L316 HydrophobicContact CG-CD1 3.69Å; I308-L316 HydrophobicContact CD1-CD1 3.95Å; Q312-L316 WeakPolarHBondContact O-CB 3.36Å; Q312-L316 WeakPolarHBondContact O-CG 3.37Å; Q312-L316 PolarHBondContact O-N 3.33Å; L313-L316 PolarHBondContact O-N 3.38Å; W314-L316 VanDerWaalsContact C-N 3.29Å; W314-L316 PolarHBondContact O-N 2.83Å; L316-Q319 PolarHBondContact O-N 3.29Å; L316-L320 WeakPolarHBondContact O-CB 3.29Å; L316-L320 VanDerWaalsContact O-CG 3.23Å; L316-L320 WeakPolarHBondContact O-CG 3.42Å; L316-L320 PolarHBondContact O-N 2.91Å
317K96.5Very high84.5Confident5 Ų575.8 Ų75.82%0.02244%0.438CS..Hα-helixtrans-61.1-45.5177.1-70.7-176.375.6-178.60111.5V252 E256 L313 W314 L320 G321 M322 N324V252-K317 HydrophobicContact CG1-CG 3.87Å; E256-K317 IonicContact OE1-NZ 3.19Å; E256-K317 PolarHBondContact OE1-NZ 2.93Å; E256-K317 VanDerWaalsContact OE2-CE 3.27Å; E256-K317 WeakPolarHBondContact OE2-CE 3.46Å; E256-K317 IonicContact OE2-NZ 2.66Å; E256-K317 PolarHBondContact OE2-NZ 2.9Å; L313-K317 HydrophobicContact CD1-CG 4.49Å; L313-K317 WeakPolarHBondContact O-CG 3.19Å; L313-K317 PolarHBondContact O-N 2.88Å; W314-K317 PolarHBondContact O-N 3.07Å; K317-L320 PolarHBondContact O-N 2.88Å; K317-G321 PolarHBondContact O-N 2.99Å; K317-G321 VanDerWaalsContact O-N 3.13Å; K317-M322 HydrophobicContact CB-CB 4.09Å; K317-M322 HydrophobicContact CG-CB 4.37Å; K317-M322 HydrophobicContact CG-SD 4.29Å; K317-M322 PolarHBondContact O-N 3.27Å; K317-N324 PolarHBondContact NZ-OD1 2.76Å
318E96.4Very high82.2Confident163 Ų16386.9 Ų86.976%0.76248%0.484SS*.Hα-helixtrans-62.1-49.3176.7-174.9178.3-173.600111.5W314 A315 L320 G321W314-E318 PolarHBondContact O-N 3.15Å; A315-E318 PolarHBondContact O-N 3.23Å; E318-L320 PolarHBondContact O-N 3.03Å; E318-G321 PolarHBondContact O-N 2.95Å
319Q96.2Very high81.6Confident138 Ų13890.5 Ų90.565%0.64551%0.505SS*.Hα-helixtrans-56.3-35.9177.7-178.5-175.1-20.800112.3A315 L316A315-Q319 VanDerWaalsContact O-CB 3.26Å; A315-Q319 WeakPolarHBondContact O-CB 3.35Å; A315-Q319 PolarHBondContact O-N 2.96Å; L316-Q319 PolarHBondContact O-N 3.29Å
320L96.8Very high81Confident28 Ų2893.5 Ų93.515%0.14752%0.519CS..THydrogen-bonded Turntrans-91.72.2-177.6-65.6174000114V219 D248 Q249 V252 L316 K317 E318 M322V219-L320 HydrophobicContact CG1-CD2 4.08Å; V219-L320 HydrophobicContact CG1-CG 4.48Å; V219-L320 HydrophobicContact CG2-CD1 4.38Å; D248-L320 HydrophobicContact CB-CD1 3.9Å; D248-L320 HydrophobicContact CB-CD2 3.76Å; Q249-L320 HydrophobicContact CG-CB 4.16Å; Q249-L320 PolarHBondContact NE2-O 3.17Å; V252-L320 HydrophobicContact CB-CD1 4.09Å; V252-L320 HydrophobicContact CG2-CD1 3.63Å; L316-L320 WeakPolarHBondContact O-CB 3.29Å; L316-L320 VanDerWaalsContact O-CG 3.23Å; L316-L320 WeakPolarHBondContact O-CG 3.42Å; L316-L320 PolarHBondContact O-N 2.91Å; K317-L320 PolarHBondContact O-N 2.88Å; E318-L320 PolarHBondContact O-N 3.03Å; L320-M322 VanDerWaalsContact C-N 3.27Å; L320-M322 HydrophobicContact CB-CG 3.95Å; L320-M322 HydrophobicContact CB-SD 4.08Å; L320-M322 HydrophobicContact CD1-SD 4.06Å; L320-M322 PolarHBondContact O-N 2.99Å
321G95.8Very high80.2Confident62 Ų6292.8 Ų92.864%0.63952%0.517SS*.THydrogen-bonded Turntrans67.124.8-178.700000114K317 E318 T323K317-G321 PolarHBondContact O-N 2.99Å; K317-G321 VanDerWaalsContact O-N 3.13Å; E318-G321 PolarHBondContact O-N 2.95Å; G321-T323 PolarHBondContact O-N 2.95Å
322M94.1Very high79.3Confident38 Ų3894.4 Ų94.419%0.18752%0.515CS..  trans-80.8114179.6-60.4173.470.400109.5Q249 V252 A253 K317 L320Q249-M322 HydrophobicContact CB-SD 4.34Å; Q249-M322 HydrophobicContact CG-CG 4.1Å; Q249-M322 HydrophobicContact CG-SD 4.35Å; Q249-M322 WeakPolarHBondContact O-CE 3.48Å; V252-M322 HydrophobicContact CB-CE 4.27Å; V252-M322 HydrophobicContact CB-SD 3.87Å; V252-M322 HydrophobicContact CG1-CE 4.06Å; V252-M322 HydrophobicContact CG1-SD 3.67Å; A253-M322 HydrophobicContact CB-CE 3.85Å; K317-M322 HydrophobicContact CB-CB 4.09Å; K317-M322 HydrophobicContact CG-CB 4.37Å; K317-M322 HydrophobicContact CG-SD 4.29Å; K317-M322 PolarHBondContact O-N 3.27Å; L320-M322 VanDerWaalsContact C-N 3.27Å; L320-M322 HydrophobicContact CB-CG 3.95Å; L320-M322 HydrophobicContact CB-SD 4.08Å; L320-M322 HydrophobicContact CD1-SD 4.06Å; L320-M322 PolarHBondContact O-N 2.99Å
323T78.4Confident78.4Confident128 Ų12896.9 Ų96.979%0.78553%0.532SS*.  trans-71.1142.1176.5510000110.8G321 G325G321-T323 PolarHBondContact O-N 2.95Å; T323-G325 PolarHBondContact O-N 2.88Å
324N60.4Low77.2Confident120 Ų120102.6 Ų102.664%0.64256%0.563SS**  trans-69.483.1171.8-76-24.1000109.3K317 L326K317-N324 PolarHBondContact NZ-OD1 2.76Å; N324-L326 VanDerWaalsContact C-N 3.25Å; N324-L326 PolarHBondContact O-N 3.26Å
325G47Very low75.9Confident61 Ų6198.3 Ų98.363%0.62956%0.559SS**  trans-74.379.5165.600000110.1T323 P327T323-G325 PolarHBondContact O-N 2.88Å; G325-P327 WeakPolarHBondContact O-CD 3.21Å
326L37.9Very low74.4Confident159 Ų159101.9 Ų101.983%0.83257%0.57SS**  trans-69.9118137.9-83.9162.8000104.3N324 K328N324-L326 VanDerWaalsContact C-N 3.25Å; N324-L326 PolarHBondContact O-N 3.26Å; L326-K328 PolarHBondContact O-N 2.97Å; L326-K328 VanDerWaalsContact O-N 3.16Å
327P37.5Very low72.6Confident122 Ų122108.7 Ų108.779%0.79261%0.608SS**  trans-54.7127.2171.421.3-28.6000108G325G325-P327 WeakPolarHBondContact O-CD 3.21Å
328K33.8Very low70.4Confident280 Ų280118.1 Ų118.1100%1.21766%0.662SS**  trans-66.30161.8-81.5-172.6177.1-179.20109.5L326L326-K328 PolarHBondContact O-N 2.97Å; L326-K328 VanDerWaalsContact O-N 3.16Å

Retrieved 328 of 328 residues in 400.6 ms (Link to these results)

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