A0A093I8H7_STRCA Loading...

Growth arrest-specific protein 2

AlphaFold DB (A0A663EUB3), UniProt , Accession A0A093I8H7, Species STRCA (Struthio camelus australis), Gene n/a, Length 314 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M26.5Very low44.1Very low241 Ų241110.8 Ų110.8100%1.18763%0.633SS**  098.80-63.8-172.5-163.600107.1
2C28.6Very low46.2Very low116 Ų116102.8 Ų102.878%0.78459%0.588SS**  trans-85.5112.2179.9-64.70000108.4A4C2-A4 PolarHBondContact O-N 3.08Å
3T34.8Very low47.5Very low122 Ų12296.9 Ų96.975%0.74856%0.564SS**  trans-70.4118.1169.4310000108.3L5T3-L5 PolarHBondContact O-N 2.74Å
4A39.3Very low48.7Very low103 Ų10396.4 Ų96.485%0.85156%0.557SS**  trans-57.4112.6174.600000109.2C2 S6C2-A4 PolarHBondContact O-N 3.08Å; A4-S6 PolarHBondContact O-N 2.76Å
5L45Very low50.3Low50 Ų5098 Ų9826%0.26258%0.576SS.*  trans-68.8120.6176.4-73.6165.2000108.4T3 Q19 W23T3-L5 PolarHBondContact O-N 2.74Å; L5-Q19 HydrophobicContact CD1-CG 3.88Å; L5-W23 HydrophobicContact CD1-CB 4.02Å
6S43.5Very low52.1Low64 Ų6496.2 Ų96.245%0.44856%0.563SS.*  trans-64.4133.8177.9179.30000110.2A4 K8 A9A4-S6 PolarHBondContact O-N 2.76Å; S6-K8 PolarHBondContact O-N 3.23Å; S6-A9 WeakPolarHBondContact O-CB 3.48Å; S6-A9 PolarHBondContact O-N 3.37Å
7P48.3Very low53.7Low71 Ų7197.2 Ų97.246%0.46156%0.563SS.*THydrogen-bonded Turntrans-57.6-17.4176.5-24.432.4000114.2A30P7-A30 HydrophobicContact CB-CB 3.95Å; P7-A30 HydrophobicContact CG-CB 4.25Å
8K45.4Very low55.2Low189 Ų18998.9 Ų98.982%0.82256%0.564SS**THydrogen-bonded Turntrans-94.8-5.7-179.7-64.1-173.3177.4-174.50114.3S6S6-K8 PolarHBondContact O-N 3.23Å
9A53.7Low56.4Low46 Ų4697.4 Ų97.438%0.3855%0.552SS.*SBendtrans-81.8152.5-176.700000112.6S6 G11S6-A9 WeakPolarHBondContact O-CB 3.48Å; S6-A9 PolarHBondContact O-N 3.37Å; A9-G11 PolarHBondContact O-N 3.37Å
10R61.6Low57.3Low186 Ų18695.6 Ų95.670%0.70254%0.536SS*.PPolyproline II helixtrans-53.5136.5166.9-84.5-174.3-176.4175.73.5109.2
11G59Low58.2Low31 Ų3194.5 Ų94.532%0.3254%0.535SS..PPolyproline II helixtrans-60.6148.7-178.900000111.9A9 W23A9-G11 PolarHBondContact O-N 3.37Å; G11-W23 VanDerWaalsContact CA-CE2 3.43Å
12P68.3Low60.6Low15 Ų1586.9 Ų86.910%0.09750%0.496CS..PPolyproline II helixtrans-63.2155.1175.729.7-35.2000110.3Q19 Y20 W23P12-Q19 HydrophobicContact CB-CB 4.39Å; P12-Q19 HydrophobicContact CB-CG 3.82Å; P12-Q19 HydrophobicContact CG-CB 4.47Å; P12-Q19 HydrophobicContact CG-CG 4.02Å; P12-Y20 HydrophobicContact CG-CD2 4.3Å; P12-W23 HydrophobicContact CG-CB 3.86Å; P12-W23 HydrophobicContact CG-CG 4.19Å
13G63Low62.9Low26 Ų2682.1 Ų82.127%0.26846%0.462SS..PPolyproline II helixtrans-63152.6174.300000111.8S15 D16G13-S15 PolarHBondContact O-N 3.05Å; G13-D16 PolarHBondContact O-N 3.34Å
14L65.5Low64.9Low90 Ų9079 Ų7947%0.47144%0.44SS..THydrogen-bonded Turntrans-66.30.6176.1-67.3170.5000113.7D16 M17 Y20 V278L14-D16 VanDerWaalsContact C-N 3.25Å; L14-D16 PolarHBondContact O-N 3.39Å; L14-M17 HydrophobicContact CB-CE 3.98Å; L14-M17 HydrophobicContact CD2-CE 3.69Å; L14-M17 HydrophobicContact CG-CE 4.46Å; L14-M17 WeakPolarHBondContact O-CE 3.44Å; L14-Y20 HydrophobicContact CD2-CD1 4.23Å; L14-Y20 HydrophobicContact CD2-CD2 4.05Å; L14-Y20 HydrophobicContact CD2-CE1 4.14Å; L14-Y20 HydrophobicContact CD2-CE2 3.99Å; L14-Y20 HydrophobicContact CD2-CG 4.18Å; L14-V278 HydrophobicContact CB-CG1 4.06Å; L14-V278 HydrophobicContact CD1-CB 4.46Å; L14-V278 HydrophobicContact CD1-CG1 4.19Å; L14-V278 HydrophobicContact CD1-CG2 4.06Å; L14-V278 HydrophobicContact CG-CB 4.44Å; L14-V278 HydrophobicContact CG-CG1 3.91Å; L14-V278 HydrophobicContact CG-CG2 3.88Å
15S71.9Confident66.6Low120 Ų12076.8 Ų76.884%0.83942%0.422SS*.THydrogen-bonded Turntrans-66.6-24.8175.246.40000113.2G13G13-S15 PolarHBondContact O-N 3.05Å
16D79.1Confident68.1Low69 Ų6976.1 Ų76.137%0.36942%0.422SS..  trans-123.8100.1174.2-174.3-16.4000110.4G13 L14 H18 Q19 Y20G13-D16 PolarHBondContact O-N 3.34Å; L14-D16 VanDerWaalsContact C-N 3.25Å; L14-D16 PolarHBondContact O-N 3.39Å; D16-H18 VanDerWaalsContact C-N 3.28Å; D16-H18 PolarHBondContact O-N 2.76Å; D16-H18 WeakPolarHBondContact OD1-CB 3.2Å; D16-H18 PolarHBondContact OD1-N 3.31Å; D16-Q19 HydrophobicContact CB-CB 3.87Å; D16-Q19 PolarHBondContact O-N 3.3Å; D16-Q19 PolarHBondContact OD1-N 3.3Å; D16-Y20 WeakPolarHBondContact O-CB 3.34Å; D16-Y20 PolarHBondContact O-N 2.98Å
17M79.9Confident69.7Low113 Ų11375.1 Ų75.156%0.55741%0.408SS*.Hα-helixtrans-63.5-31.5178.9-70.7-69.986.700113.1L14 S21L14-M17 HydrophobicContact CB-CE 3.98Å; L14-M17 HydrophobicContact CD2-CE 3.69Å; L14-M17 HydrophobicContact CG-CE 4.46Å; L14-M17 WeakPolarHBondContact O-CE 3.44Å; M17-S21 VanDerWaalsContact O-CB 3.31Å; M17-S21 WeakPolarHBondContact O-CB 3.17Å; M17-S21 PolarHBondContact O-N 2.72Å
18H79.6Confident71.2Confident128 Ų12877.4 Ų77.459%0.59341%0.413SS*.Hα-helixtrans-72-45.3179.4-173.864.9000110.5D16 Y20 S21 Q22D16-H18 VanDerWaalsContact C-N 3.28Å; D16-H18 PolarHBondContact O-N 2.76Å; D16-H18 WeakPolarHBondContact OD1-CB 3.2Å; D16-H18 PolarHBondContact OD1-N 3.31Å; H18-Y20 VanDerWaalsContact C-N 3.34Å; H18-Y20 PolarHBondContact O-N 2.81Å; H18-S21 PolarHBondContact O-N 3.26Å; H18-Q22 PolarHBondContact CD2-NE2 2.9Å; H18-Q22 VanDerWaalsContact CD2-NE2 3.29Å; H18-Q22 PolarHBondContact NE2-NE2 2.83Å; H18-Q22 WeakPolarHBondContact O-CG 3.42Å; H18-Q22 PolarHBondContact O-N 2.95Å
19Q78.6Confident72.8Confident70 Ų7073.6 Ų73.633%0.32740%0.397SS..Hα-helixtrans-62.3-41.7175.2-165.7-17834.300111.8L5 P12 D16 Q22 W23L5-Q19 HydrophobicContact CD1-CG 3.88Å; P12-Q19 HydrophobicContact CB-CB 4.39Å; P12-Q19 HydrophobicContact CB-CG 3.82Å; P12-Q19 HydrophobicContact CG-CB 4.47Å; P12-Q19 HydrophobicContact CG-CG 4.02Å; D16-Q19 HydrophobicContact CB-CB 3.87Å; D16-Q19 PolarHBondContact O-N 3.3Å; D16-Q19 PolarHBondContact OD1-N 3.3Å; Q19-Q22 PolarHBondContact O-N 3.39Å; Q19-W23 WeakPolarHBondContact O-CB 3.47Å; Q19-W23 PolarHBondContact O-N 3.08Å
20Y73.6Confident74.2Confident62 Ų6273.1 Ų73.124%0.24339%0.393CS..Hα-helixtrans-62.9-43175.2-172.9-101.3000112.4P12 L14 D16 H18 Q22 W23 L24P12-Y20 HydrophobicContact CG-CD2 4.3Å; L14-Y20 HydrophobicContact CD2-CD1 4.23Å; L14-Y20 HydrophobicContact CD2-CD2 4.05Å; L14-Y20 HydrophobicContact CD2-CE1 4.14Å; L14-Y20 HydrophobicContact CD2-CE2 3.99Å; L14-Y20 HydrophobicContact CD2-CG 4.18Å; D16-Y20 WeakPolarHBondContact O-CB 3.34Å; D16-Y20 PolarHBondContact O-N 2.98Å; H18-Y20 VanDerWaalsContact C-N 3.34Å; H18-Y20 PolarHBondContact O-N 2.81Å; Y20-Q22 PolarHBondContact O-N 3.36Å; Y20-W23 HydrophobicContact CD2-CE3 4.41Å; Y20-W23 HydrophobicContact CE2-CE3 4.2Å; Y20-W23 HydrophobicContact CE2-CZ3 4.19Å; Y20-W23 PolarHBondContact O-N 3.48Å; Y20-L24 HydrophobicContact CD1-CD1 3.77Å; Y20-L24 HydrophobicContact CD1-CG 4.32Å; Y20-L24 HydrophobicContact CE1-CD1 3.35Å; Y20-L24 HydrophobicContact CE1-CG 3.98Å; Y20-L24 WeakPolarHBondContact O-CG 3.5Å; Y20-L24 PolarHBondContact O-N 3.2Å
21S77Confident75.3Confident72 Ų7266.6 Ų66.650%0.50337%0.373SS..Hα-helixtrans-61.4-43.1175.2-175.50000112.4M17 H18 L24 A25M17-S21 VanDerWaalsContact O-CB 3.31Å; M17-S21 WeakPolarHBondContact O-CB 3.17Å; M17-S21 PolarHBondContact O-N 2.72Å; H18-S21 PolarHBondContact O-N 3.26Å; S21-L24 PolarHBondContact O-N 3.38Å; S21-A25 WeakPolarHBondContact O-CB 3.29Å; S21-A25 PolarHBondContact O-N 3.07Å
22Q77.4Confident76.8Confident81 Ų8165.8 Ų65.838%0.37936%0.361SS..Hα-helixtrans-65.6-41.2176.6-71.4-17613.500111.9H18 Q19 Y20 A25 S26H18-Q22 PolarHBondContact CD2-NE2 2.9Å; H18-Q22 VanDerWaalsContact CD2-NE2 3.29Å; H18-Q22 PolarHBondContact NE2-NE2 2.83Å; H18-Q22 WeakPolarHBondContact O-CG 3.42Å; H18-Q22 PolarHBondContact O-N 2.95Å; Q19-Q22 PolarHBondContact O-N 3.39Å; Y20-Q22 PolarHBondContact O-N 3.36Å; Q22-A25 PolarHBondContact O-N 2.71Å; Q22-S26 WeakPolarHBondContact O-CB 3.29Å; Q22-S26 PolarHBondContact O-N 3.43Å
23W77.4Confident78.1Confident17 Ų1767.9 Ų67.96%0.06437%0.371CS..Hα-helixtrans-61.8-44.7176.4177.780.5000112L5 G11 P12 Q19 Y20 S26 R27L5-W23 HydrophobicContact CD1-CB 4.02Å; G11-W23 VanDerWaalsContact CA-CE2 3.43Å; P12-W23 HydrophobicContact CG-CB 3.86Å; P12-W23 HydrophobicContact CG-CG 4.19Å; Q19-W23 WeakPolarHBondContact O-CB 3.47Å; Q19-W23 PolarHBondContact O-N 3.08Å; Y20-W23 HydrophobicContact CD2-CE3 4.41Å; Y20-W23 HydrophobicContact CE2-CE3 4.2Å; Y20-W23 HydrophobicContact CE2-CZ3 4.19Å; Y20-W23 PolarHBondContact O-N 3.48Å; W23-S26 PolarHBondContact O-N 3.15Å; W23-R27 WeakPolarHBondContact O-CB 3.48Å; W23-R27 PolarHBondContact O-N 3.29Å
24L75.2Confident79.7Confident55 Ų5566.7 Ų66.729%0.28836%0.358SS..Hα-helixtrans-59.4-48.3174.7-79.1174.9000111.4Y20 S21 S26 R27 H28Y20-L24 HydrophobicContact CD1-CD1 3.77Å; Y20-L24 HydrophobicContact CD1-CG 4.32Å; Y20-L24 HydrophobicContact CE1-CD1 3.35Å; Y20-L24 HydrophobicContact CE1-CG 3.98Å; Y20-L24 WeakPolarHBondContact O-CG 3.5Å; Y20-L24 PolarHBondContact O-N 3.2Å; S21-L24 PolarHBondContact O-N 3.38Å; L24-S26 PolarHBondContact O-N 2.84Å; L24-R27 PolarHBondContact O-N 3.28Å; L24-H28 PolarHBondContact O-CD2 3.07Å; L24-H28 PolarHBondContact O-N 3.07Å
25A74.8Confident81.2Confident58 Ų5863 Ų6348%0.47934%0.339SS..Hα-helixtrans-58.4-47.6179.200000111.9S21 Q22 R27 H28 E29S21-A25 WeakPolarHBondContact O-CB 3.29Å; S21-A25 PolarHBondContact O-N 3.07Å; Q22-A25 PolarHBondContact O-N 2.71Å; A25-R27 VanDerWaalsContact C-N 3.3Å; A25-R27 PolarHBondContact O-N 3.07Å; A25-H28 PolarHBondContact O-N 3.48Å; A25-E29 WeakPolarHBondContact O-CB 3.23Å; A25-E29 PolarHBondContact O-N 3Å
26S77.3Confident82.4Confident35 Ų3557.8 Ų57.825%0.24530%0.301CS..Hα-helixtrans-59.3-40.2176.3177.70000112.3Q22 W23 L24 E29 A30Q22-S26 WeakPolarHBondContact O-CB 3.29Å; Q22-S26 PolarHBondContact O-N 3.43Å; W23-S26 PolarHBondContact O-N 3.15Å; L24-S26 PolarHBondContact O-N 2.84Å; S26-E29 PolarHBondContact O-N 2.56Å; S26-A30 WeakPolarHBondContact O-CB 3.49Å; S26-A30 PolarHBondContact O-N 2.96Å
27R77.5Confident83.3Confident44 Ų4456 Ų5617%0.16629%0.291CS..Hα-helixtrans-68.1-41.7177.1-176.8-179.3163.981.81.9112.2W23 L24 A25 E29 A30 N31 L265W23-R27 WeakPolarHBondContact O-CB 3.48Å; W23-R27 PolarHBondContact O-N 3.29Å; L24-R27 PolarHBondContact O-N 3.28Å; A25-R27 VanDerWaalsContact C-N 3.3Å; A25-R27 PolarHBondContact O-N 3.07Å; R27-E29 VanDerWaalsContact C-N 3.32Å; R27-A30 PolarHBondContact O-N 3.48Å; R27-N31 PolarHBondContact O-N 3.47Å; R27-N31 VanDerWaalsContact O-N 3.13Å; R27-N31 PolarHBondContact O-ND2 3.35Å; R27-N31 VanDerWaalsContact O-ND2 3.15Å; R27-L265 VanDerWaalsContact NH1-CD1 3.29Å
28H78.9Confident84.2Confident119 Ų11950.8 Ų50.855%0.55127%0.265SS*.Hα-helixtrans-61.6-42.8174.5-77.8-67.5000111.2L24 A25 N31 L32L24-H28 PolarHBondContact O-CD2 3.07Å; L24-H28 PolarHBondContact O-N 3.07Å; A25-H28 PolarHBondContact O-N 3.48Å; H28-N31 PolarHBondContact O-N 3.48Å; H28-L32 WeakPolarHBondContact O-CG 3.44Å; H28-L32 PolarHBondContact O-N 3.4Å
29E80.3Confident85.1Confident108 Ų10844.7 Ų44.751%0.50524%0.237SC..Hα-helixtrans-62.7-45.6175.4176.6160.1-137.400112.7A25 S26 R27 N31 L32 L33 K36A25-E29 WeakPolarHBondContact O-CB 3.23Å; A25-E29 PolarHBondContact O-N 3Å; S26-E29 PolarHBondContact O-N 2.56Å; R27-E29 VanDerWaalsContact C-N 3.32Å; E29-N31 PolarHBondContact O-N 3.45Å; E29-L32 WeakPolarHBondContact O-CA 3.05Å; E29-L32 PolarHBondContact O-N 3.17Å; E29-L33 PolarHBondContact O-N 2.88Å; E29-K36 IonicContact OE1-NZ 2.64Å; E29-K36 PolarHBondContact OE1-NZ 3.14Å
30A81.8Confident86Confident36 Ų3641.5 Ų41.530%0.29822%0.223SC..Hα-helixtrans-59.7-33.7177.700000112.5P7 S26 R27 L32 L33P7-A30 HydrophobicContact CB-CB 3.95Å; P7-A30 HydrophobicContact CG-CB 4.25Å; S26-A30 WeakPolarHBondContact O-CB 3.49Å; S26-A30 PolarHBondContact O-N 2.96Å; R27-A30 PolarHBondContact O-N 3.48Å; A30-L32 VanDerWaalsContact C-N 3.3Å; A30-L32 PolarHBondContact O-N 3.49Å; A30-L33 WeakPolarHBondContact O-CB 3.41Å; A30-L33 PolarHBondContact O-N 3Å
31N84.9Confident87.2Confident49 Ų4942.4 Ų42.426%0.26223%0.231SC..Hα-helixtrans-71-25.1175-71.5-34.2000113.2R27 H28 E29R27-N31 PolarHBondContact O-N 3.47Å; R27-N31 VanDerWaalsContact O-N 3.13Å; R27-N31 PolarHBondContact O-ND2 3.35Å; R27-N31 VanDerWaalsContact O-ND2 3.15Å; H28-N31 PolarHBondContact O-N 3.48Å; E29-N31 PolarHBondContact O-N 3.45Å
32L91.8Very high88.3Confident15 Ų1539.6 Ų39.68%0.07921%0.21CC..Hα-helixtrans-87.6-17.8177.6-66.9174.7000113.1H28 E29 A30 P34 M35 K36 P142 R143H28-L32 WeakPolarHBondContact O-CG 3.44Å; H28-L32 PolarHBondContact O-N 3.4Å; E29-L32 WeakPolarHBondContact O-CA 3.05Å; E29-L32 PolarHBondContact O-N 3.17Å; A30-L32 VanDerWaalsContact C-N 3.3Å; A30-L32 PolarHBondContact O-N 3.49Å; L32-P34 VanDerWaalsContact C-CD 3.41Å; L32-P34 VanDerWaalsContact C-N 3.35Å; L32-M35 HydrophobicContact CD2-SD 4Å; L32-M35 WeakPolarHBondContact O-CA 3.46Å; L32-M35 WeakPolarHBondContact O-CB 3.3Å; L32-M35 PolarHBondContact O-N 3.05Å; L32-K36 PolarHBondContact O-N 3.49Å; L32-P142 HydrophobicContact CD1-CB 4.02Å; L32-P142 HydrophobicContact CD1-CG 3.93Å; L32-R143 HydrophobicContact CD1-CB 3.98Å; L32-R143 HydrophobicContact CD2-CB 3.83Å; L32-R143 HydrophobicContact CD2-CG 3.88Å
33L95.1Very high89.3Confident58 Ų5835.8 Ų35.830%0.30419%0.192SC..Hα-helixtrans-48.6-46.3-177.2-178.865000113.9E29 A30 M35 K36 E37 A53E29-L33 PolarHBondContact O-N 2.88Å; A30-L33 WeakPolarHBondContact O-CB 3.41Å; A30-L33 PolarHBondContact O-N 3Å; L33-M35 VanDerWaalsContact C-N 3.31Å; L33-M35 PolarHBondContact O-N 3.37Å; L33-K36 PolarHBondContact O-N 2.86Å; L33-E37 HydrophobicContact CD1-CG 4.15Å; L33-E37 HydrophobicContact CG-CG 4.46Å; L33-E37 WeakPolarHBondContact O-CG 3.35Å; L33-E37 PolarHBondContact O-N 3.35Å; L33-A53 HydrophobicContact CD1-CB 3.73Å
34P96.4Very high90.3Very high1 Ų136.6 Ų36.61%0.00620%0.198CC..Hα-helixtrans-61.3-38.3178-18.329000113.2L32 D38 L244 H248 M250 T259L32-P34 VanDerWaalsContact C-CD 3.41Å; L32-P34 VanDerWaalsContact C-N 3.35Å; P34-D38 WeakPolarHBondContact O-CB 3.48Å; P34-D38 PolarHBondContact O-N 3.43Å; P34-D38 VanDerWaalsContact O-N 3.07Å; P34-L244 HydrophobicContact CB-CD2 4.09Å; P34-H248 HydrophobicContact CB-CB 3.95Å; P34-H248 HydrophobicContact CG-CB 4.15Å; P34-M250 HydrophobicContact CB-CE 4.02Å; P34-M250 HydrophobicContact CB-SD 3.69Å; P34-M250 HydrophobicContact CG-CE 4.38Å; P34-M250 HydrophobicContact CG-SD 3.94Å; P34-T259 HydrophobicContact CG-CG2 3.59Å
35M96.4Very high91.3Very high12 Ų1239.6 Ų39.66%0.05922%0.215CC..Hα-helixtrans-70.3-42.3178-60.9171.374.500110.8L32 L33 D38 L39 C146 L147 L150 L166L32-M35 HydrophobicContact CD2-SD 4Å; L32-M35 WeakPolarHBondContact O-CA 3.46Å; L32-M35 WeakPolarHBondContact O-CB 3.3Å; L32-M35 PolarHBondContact O-N 3.05Å; L33-M35 VanDerWaalsContact C-N 3.31Å; L33-M35 PolarHBondContact O-N 3.37Å; M35-D38 PolarHBondContact O-N 3.24Å; M35-L39 WeakPolarHBondContact O-CB 3.42Å; M35-L39 VanDerWaalsContact O-CG 3.31Å; M35-L39 WeakPolarHBondContact O-CG 3.32Å; M35-L39 PolarHBondContact O-N 3.36Å; M35-C146 HydrophobicContact CB-CB 4.24Å; M35-C146 HydrophobicContact CE-CB 3.84Å; M35-L147 HydrophobicContact CE-CD2 3.7Å; M35-L147 HydrophobicContact CE-CG 4.28Å; M35-L150 HydrophobicContact CE-CD1 3.34Å; M35-L166 HydrophobicContact CB-CD1 4.38Å; M35-L166 HydrophobicContact CG-CD1 3.91Å
36K97.6Very high92.4Very high11 Ų1138 Ų385%0.04820%0.198CC..Hα-helixtrans-60.8-46.5175.3-71.5-175.5178.1-177.30111E29 L32 L33 D38 A40 A53 F56E29-K36 IonicContact OE1-NZ 2.64Å; E29-K36 PolarHBondContact OE1-NZ 3.14Å; L32-K36 PolarHBondContact O-N 3.49Å; L33-K36 PolarHBondContact O-N 2.86Å; K36-D38 PolarHBondContact O-N 3.15Å; K36-A40 WeakPolarHBondContact O-CB 3.24Å; K36-A40 PolarHBondContact O-N 3.29Å; K36-A53 HydrophobicContact CB-CB 3.9Å; K36-F56 HydrophobicContact CB-CG 4.43Å; K36-F56 HydrophobicContact CG-CD1 4.15Å; K36-F56 HydrophobicContact CG-CG 4.39Å
37E98.1Very high93.3Very high33 Ų3337.6 Ų37.615%0.15419%0.193CC..Hα-helixtrans-61.4-42.8177.6-75.3-178.8-168.800112.1L33 L41 A53 K247 H248L33-E37 HydrophobicContact CD1-CG 4.15Å; L33-E37 HydrophobicContact CG-CG 4.46Å; L33-E37 WeakPolarHBondContact O-CG 3.35Å; L33-E37 PolarHBondContact O-N 3.35Å; E37-L41 PolarHBondContact O-N 2.93Å; E37-L41 VanDerWaalsContact O-N 3.11Å; E37-A53 HydrophobicContact CB-CB 4.3Å; E37-A53 HydrophobicContact CG-CB 3.43Å; E37-A53 VanDerWaalsContact CG-CB 3.43Å; E37-K247 IonicContact OE1-NZ 2.89Å; E37-K247 PolarHBondContact OE1-NZ 3.42Å; E37-K247 IonicContact OE2-NZ 3.43Å; E37-K247 PolarHBondContact OE2-NZ 2.85Å; E37-H248 IonicContact OE1-NE2 2.73Å; E37-H248 IonicContact OE2-CD2 3.94Å; E37-H248 IonicContact OE2-CE1 2.6Å; E37-H248 IonicContact OE2-NE2 2.67Å; E37-H248 PolarHBondContact OE2-NE2 3.42Å
38D98.6Very high94.2Very high3 Ų339 Ų392%0.01622%0.221CC..Hα-helixtrans-65-48.1178.7-170.741.6000112.8P34 M35 K36 L41 W42 P164 G165 L166 L244 H245P34-D38 WeakPolarHBondContact O-CB 3.48Å; P34-D38 PolarHBondContact O-N 3.43Å; P34-D38 VanDerWaalsContact O-N 3.07Å; M35-D38 PolarHBondContact O-N 3.24Å; K36-D38 PolarHBondContact O-N 3.15Å; D38-L41 PolarHBondContact O-N 2.79Å; D38-W42 WeakPolarHBondContact O-CB 3.46Å; D38-W42 PolarHBondContact O-N 3.42Å; D38-P164 WeakPolarHBondContact OD2-CB 3.23Å; D38-G165 VanDerWaalsContact CG-N 3.34Å; D38-G165 WeakPolarHBondContact OD1-CA 3.49Å; D38-G165 PolarHBondContact OD1-N 3.1Å; D38-G165 PolarHBondContact OD2-N 3.03Å; D38-G165 VanDerWaalsContact OD2-N 3.12Å; D38-L166 HydrophobicContact CB-CD1 4.36Å; D38-L166 HydrophobicContact CB-CG 4.46Å; D38-L166 WeakPolarHBondContact OD2-CB 3.26Å; D38-L166 WeakPolarHBondContact OD2-CG 3.36Å; D38-L166 PolarHBondContact OD2-N 3.39Å; D38-L244 HydrophobicContact CB-CD2 4.23Å; D38-H245 IonicContact OD1-CE1 2.58Å; D38-H245 PolarHBondContact OD1-CE1 3.01Å; D38-H245 IonicContact OD1-NE2 3.05Å; D38-H245 PolarHBondContact OD1-NE2 3.04Å
39L98.6Very high95Very high0 Ų040.8 Ų40.80%022%0.223CC..Hα-helixtrans-68-38177.8-69.9170.3000112.1M35 L41 W42 L43 F56 C146 L149 L150 P164M35-L39 WeakPolarHBondContact O-CB 3.42Å; M35-L39 VanDerWaalsContact O-CG 3.31Å; M35-L39 WeakPolarHBondContact O-CG 3.32Å; M35-L39 PolarHBondContact O-N 3.36Å; L39-L41 VanDerWaalsContact C-N 3.32Å; L39-L41 PolarHBondContact O-N 3.06Å; L39-W42 HydrophobicContact CD2-CE3 4.14Å; L39-W42 PolarHBondContact O-N 3.37Å; L39-L43 WeakPolarHBondContact O-CB 3.33Å; L39-L43 VanDerWaalsContact O-CG 3.23Å; L39-L43 WeakPolarHBondContact O-CG 3.43Å; L39-L43 PolarHBondContact O-N 3.5Å; L39-F56 HydrophobicContact CB-CE2 3.63Å; L39-F56 HydrophobicContact CB-CZ 3.83Å; L39-F56 HydrophobicContact CD1-CZ 4.1Å; L39-C146 HydrophobicContact CD1-CB 3.68Å; L39-C146 WeakPolarHBondContact CD1-O 3.39Å; L39-L149 HydrophobicContact CD1-CB 4.02Å; L39-L149 HydrophobicContact CD1-CD1 4.39Å; L39-L149 HydrophobicContact CD2-CB 3.79Å; L39-L150 HydrophobicContact CD1-CG 4.33Å; L39-L150 HydrophobicContact CD2-CD2 3.96Å; L39-L150 HydrophobicContact CD2-CG 4.11Å; L39-L150 HydrophobicContact CG-CD2 4.39Å; L39-L150 HydrophobicContact CG-CG 4.44Å; L39-P164 HydrophobicContact CD2-CB 4.48Å; L39-P164 HydrophobicContact CD2-CG 4.05Å
40A98.6Very high95.8Very high3 Ų342.5 Ų42.53%0.02523%0.231CC..Hα-helixtrans-59.3-45176.100000111.2K36 T44 I51 F56K36-A40 WeakPolarHBondContact O-CB 3.24Å; K36-A40 PolarHBondContact O-N 3.29Å; A40-T44 VanDerWaalsContact O-CB 3.26Å; A40-T44 WeakPolarHBondContact O-CB 3.24Å; A40-T44 PolarHBondContact O-N 3.29Å; A40-T44 PolarHBondContact O-OG1 2.83Å; A40-I51 HydrophobicContact CB-CB 4.42Å; A40-I51 HydrophobicContact CB-CG2 3.94Å; A40-F56 HydrophobicContact CB-CD2 4.01Å
41L98.4Very high96.6Very high81 Ų8141.2 Ų41.242%0.42422%0.219SC..Hα-helixtrans-62.7-46174.8-178.862.4000111.4E37 D38 L39 T44 N45E37-L41 PolarHBondContact O-N 2.93Å; E37-L41 VanDerWaalsContact O-N 3.11Å; D38-L41 PolarHBondContact O-N 2.79Å; L39-L41 VanDerWaalsContact C-N 3.32Å; L39-L41 PolarHBondContact O-N 3.06Å; L41-T44 PolarHBondContact O-N 3.01Å; L41-N45 PolarHBondContact O-N 2.93Å; L41-N45 PolarHBondContact O-ND2 3.21Å
42W98.6Very high97.2Very high13 Ų1340.9 Ų40.95%0.04922%0.219CC..Hα-helixtrans-61.4-48.2179.3-179.265.8000112.7D38 L39 N45 L46 L69 L73 E162 P164D38-W42 WeakPolarHBondContact O-CB 3.46Å; D38-W42 PolarHBondContact O-N 3.42Å; L39-W42 HydrophobicContact CD2-CE3 4.14Å; L39-W42 PolarHBondContact O-N 3.37Å; W42-N45 PolarHBondContact O-N 3.34Å; W42-L46 HydrophobicContact CD2-CD1 3.87Å; W42-L46 HydrophobicContact CE3-CD1 4.4Å; W42-L46 HydrophobicContact CG-CD1 4.42Å; W42-L46 HydrophobicContact CH2-CD1 4.05Å; W42-L46 HydrophobicContact CZ2-CD1 3.44Å; W42-L46 VanDerWaalsContact CZ2-CD1 3.44Å; W42-L46 HydrophobicContact CZ3-CD1 4.49Å; W42-L46 WeakPolarHBondContact O-CG 3.41Å; W42-L46 PolarHBondContact O-N 3.1Å; W42-L69 HydrophobicContact CH2-CD1 4.47Å; W42-L69 HydrophobicContact CZ3-CD2 4.4Å; W42-L73 HydrophobicContact CH2-CD1 4.4Å; W42-E162 PolarHBondContact NE1-O 2.81Å; W42-P164 HydrophobicContact CB-CB 4.33Å; W42-P164 HydrophobicContact CB-CG 4.15Å; W42-P164 HydrophobicContact CD2-CG 3.65Å; W42-P164 HydrophobicContact CE3-CG 4.02Å; W42-P164 HydrophobicContact CG-CB 4.32Å; W42-P164 HydrophobicContact CG-CG 3.7Å
43L98.6Very high97.4Very high1 Ų140.4 Ų40.41%0.00522%0.217CC..Hα-helixtrans-64.3-40.5177.1-67.4177.5000111.6L39 N45 L46 L47 I51 F56 L60 L69 L149L39-L43 WeakPolarHBondContact O-CB 3.33Å; L39-L43 VanDerWaalsContact O-CG 3.23Å; L39-L43 WeakPolarHBondContact O-CG 3.43Å; L39-L43 PolarHBondContact O-N 3.5Å; L43-N45 VanDerWaalsContact C-N 3.32Å; L43-N45 PolarHBondContact O-N 2.95Å; L43-L46 PolarHBondContact O-N 3.47Å; L43-L47 HydrophobicContact CB-CD1 4.47Å; L43-L47 VanDerWaalsContact O-CB 3.26Å; L43-L47 WeakPolarHBondContact O-CB 3.45Å; L43-L47 WeakPolarHBondContact O-CG 3.48Å; L43-L47 PolarHBondContact O-N 3.46Å; L43-I51 HydrophobicContact CB-CD1 3.58Å; L43-I51 HydrophobicContact CD1-CD1 4.17Å; L43-F56 HydrophobicContact CD1-CE2 3.78Å; L43-F56 HydrophobicContact CD1-CZ 4.32Å; L43-L60 HydrophobicContact CD1-CD1 4.19Å; L43-L60 HydrophobicContact CD1-CD2 4.12Å; L43-L69 HydrophobicContact CD2-CD1 3.8Å; L43-L69 HydrophobicContact CD2-CD2 3.54Å; L43-L69 HydrophobicContact CD2-CG 4.2Å; L43-L149 HydrophobicContact CD1-CD1 4.33Å
44T98.3Very high97.4Very high33 Ų3344.1 Ų44.120%0.20223%0.233CC..Hα-helixtrans-58.4-47176.7-63.50000111.1A40 L41 L46 G48 R49 I51A40-T44 VanDerWaalsContact O-CB 3.26Å; A40-T44 WeakPolarHBondContact O-CB 3.24Å; A40-T44 PolarHBondContact O-N 3.29Å; A40-T44 PolarHBondContact O-OG1 2.83Å; L41-T44 PolarHBondContact O-N 3.01Å; T44-L46 VanDerWaalsContact C-N 3.35Å; T44-L46 PolarHBondContact O-N 3.34Å; T44-G48 WeakPolarHBondContact O-CA 3.42Å; T44-G48 PolarHBondContact O-N 3.12Å; T44-R49 VanDerWaalsContact CA-O 3.29Å; T44-R49 WeakPolarHBondContact CA-O 3.28Å; T44-R49 PolarHBondContact OG1-O 3.21Å; T44-I51 PolarHBondContact OG1-N 3.44Å; T44-I51 PolarHBondContact OG1-O 3.14Å
45N97.7Very high97.4Very high118 Ų11845.8 Ų45.863%0.63124%0.243SC*.Hα-helixtrans-65.9-36.2179.3-68.3-22.8000112.6L41 W42 L43L41-N45 PolarHBondContact O-N 2.93Å; L41-N45 PolarHBondContact O-ND2 3.21Å; W42-N45 PolarHBondContact O-N 3.34Å; L43-N45 VanDerWaalsContact C-N 3.32Å; L43-N45 PolarHBondContact O-N 2.95Å
46L97.1Very high97.5Very high26 Ų2645.2 Ų45.214%0.13624%0.24CC..Hα-helixtrans-76.8-37.5179.3-75.8179000113.5W42 L43 T44 L69 L73 K76 V161W42-L46 HydrophobicContact CD2-CD1 3.87Å; W42-L46 HydrophobicContact CE3-CD1 4.4Å; W42-L46 HydrophobicContact CG-CD1 4.42Å; W42-L46 HydrophobicContact CH2-CD1 4.05Å; W42-L46 HydrophobicContact CZ2-CD1 3.44Å; W42-L46 VanDerWaalsContact CZ2-CD1 3.44Å; W42-L46 HydrophobicContact CZ3-CD1 4.49Å; W42-L46 WeakPolarHBondContact O-CG 3.41Å; W42-L46 PolarHBondContact O-N 3.1Å; L43-L46 PolarHBondContact O-N 3.47Å; T44-L46 VanDerWaalsContact C-N 3.35Å; T44-L46 PolarHBondContact O-N 3.34Å; L46-L69 HydrophobicContact CD1-CD1 3.85Å; L46-L73 HydrophobicContact CD1-CD2 4.2Å; L46-K76 HydrophobicContact CD2-CD 4.5Å; L46-V161 HydrophobicContact CD2-CG1 3.91Å
47L97.1Very high97.5Very high25 Ų2545.2 Ų45.213%0.13124%0.241CC..Hα-helixtrans-99.8-12.6-171-60.5178.6000113.5L43 R49 I51 L65 R68 L69L43-L47 HydrophobicContact CB-CD1 4.47Å; L43-L47 VanDerWaalsContact O-CB 3.26Å; L43-L47 WeakPolarHBondContact O-CB 3.45Å; L43-L47 WeakPolarHBondContact O-CG 3.48Å; L43-L47 PolarHBondContact O-N 3.46Å; L47-R49 PolarHBondContact O-N 3.27Å; L47-I51 HydrophobicContact CD1-CD1 4.48Å; L47-L65 HydrophobicContact CD1-CB 4.4Å; L47-L65 HydrophobicContact CD1-CD2 4.46Å; L47-R68 HydrophobicContact CD2-CB 4.45Å; L47-R68 HydrophobicContact CD2-CG 4.01Å; L47-L69 HydrophobicContact CD2-CB 4.25Å
48G96Very high97.4Very high73 Ų7349.5 Ų49.575%0.75326%0.261SS*.THydrogen-bonded Turntrans64.124.9-174.400000113.1T44T44-G48 WeakPolarHBondContact O-CA 3.42Å; T44-G48 PolarHBondContact O-N 3.12Å
49R94.9Very high97.4Very high157 Ų15752.8 Ų52.859%0.59228%0.275SS*.SBendtrans-125.5126.7179.9-68.4-177.6-179.4-81-1109T44 L47 I51T44-R49 VanDerWaalsContact CA-O 3.29Å; T44-R49 WeakPolarHBondContact CA-O 3.28Å; T44-R49 PolarHBondContact OG1-O 3.21Å; L47-R49 PolarHBondContact O-N 3.27Å; R49-I51 PolarHBondContact O-N 3.13Å
50E97.2Very high97.4Very high144 Ų14452.9 Ų52.967%0.67328%0.275SS*.  trans-59.4124.3178.1-174.9-179.7-159.400110.6K59E50-K59 PolarHBondContact O-NZ 3.36Å
51I98.1Very high97.4Very high9 Ų953.3 Ų53.35%0.04628%0.277CS..  trans-131.1133.3171-59.7163.2000106.1A40 L43 T44 L47 R49 F56 K59 L65A40-I51 HydrophobicContact CB-CB 4.42Å; A40-I51 HydrophobicContact CB-CG2 3.94Å; L43-I51 HydrophobicContact CB-CD1 3.58Å; L43-I51 HydrophobicContact CD1-CD1 4.17Å; T44-I51 PolarHBondContact OG1-N 3.44Å; T44-I51 PolarHBondContact OG1-O 3.14Å; L47-I51 HydrophobicContact CD1-CD1 4.48Å; R49-I51 PolarHBondContact O-N 3.13Å; I51-F56 HydrophobicContact CG2-CD2 3.98Å; I51-K59 HydrophobicContact CG1-CD 4.11Å; I51-L65 HydrophobicContact CD1-CD1 4.16Å
52T97.8Very high97.3Very high42 Ų4251.3 Ų51.326%0.25827%0.267SS..  trans-114.3169.3174.976.20000109.7E54 T55 F56T52-E54 VanDerWaalsContact C-N 3.27Å; T52-E54 VanDerWaalsContact CB-OE2 3.22Å; T52-E54 WeakPolarHBondContact CB-OE2 3.42Å; T52-E54 PolarHBondContact O-N 3.44Å; T52-E54 PolarHBondContact OG1-N 3.24Å; T52-E54 PolarHBondContact OG1-OE2 3.43Å; T52-T55 PolarHBondContact N-OG1 3.21Å; T52-T55 VanDerWaalsContact N-OG1 3.14Å; T52-T55 PolarHBondContact O-N 3Å; T52-T55 PolarHBondContact OG1-N 3.27Å; T52-T55 PolarHBondContact OG1-OG1 2.79Å; T52-F56 WeakPolarHBondContact O-CA 3.38Å; T52-F56 WeakPolarHBondContact O-CB 3.32Å; T52-F56 PolarHBondContact O-N 3.27Å
53A96.4Very high97.3Very high6 Ų650.7 Ų50.75%0.0526%0.264CS..SBendtrans-66.7-32.1178.100000112.9L33 K36 E37 F56L33-A53 HydrophobicContact CD1-CB 3.73Å; K36-A53 HydrophobicContact CB-CB 3.9Å; E37-A53 HydrophobicContact CB-CB 4.3Å; E37-A53 HydrophobicContact CG-CB 3.43Å; E37-A53 VanDerWaalsContact CG-CB 3.43Å; A53-F56 WeakPolarHBondContact O-CB 3.42Å
54E94.9Very high97.3Very high136 Ų13651.3 Ų51.364%0.63627%0.27SS*.SBendtrans-69.8-43.6178-57.571.1-154.400110.6T52 F56T52-E54 VanDerWaalsContact C-N 3.27Å; T52-E54 VanDerWaalsContact CB-OE2 3.22Å; T52-E54 WeakPolarHBondContact CB-OE2 3.42Å; T52-E54 PolarHBondContact O-N 3.44Å; T52-E54 PolarHBondContact OG1-N 3.24Å; T52-E54 PolarHBondContact OG1-OE2 3.43Å; E54-F56 VanDerWaalsContact C-N 3.31Å
55T96.4Very high97.3Very high36 Ų3651 Ų5122%0.22127%0.267CS..SBendtrans-88.72.6-178.958.70000113.3T52 M57 E58 K59T52-T55 PolarHBondContact N-OG1 3.21Å; T52-T55 VanDerWaalsContact N-OG1 3.14Å; T52-T55 PolarHBondContact O-N 3Å; T52-T55 PolarHBondContact OG1-N 3.27Å; T52-T55 PolarHBondContact OG1-OG1 2.79Å; T55-M57 PolarHBondContact O-N 3Å; T55-E58 PolarHBondContact O-N 2.91Å; T55-K59 WeakPolarHBondContact O-CB 3.5Å; T55-K59 WeakPolarHBondContact O-CG 3.27Å; T55-K59 PolarHBondContact O-N 2.91Å
56F97.8Very high97.3Very high0 Ų045.3 Ų45.30%024%0.236CC..Hα-helixtrans-57.8-52.2-168.7-175.1-97.5000112.8K36 L39 A40 L43 I51 T52 A53 E54 L60 V145 L149K36-F56 HydrophobicContact CB-CG 4.43Å; K36-F56 HydrophobicContact CG-CD1 4.15Å; K36-F56 HydrophobicContact CG-CG 4.39Å; L39-F56 HydrophobicContact CB-CE2 3.63Å; L39-F56 HydrophobicContact CB-CZ 3.83Å; L39-F56 HydrophobicContact CD1-CZ 4.1Å; A40-F56 HydrophobicContact CB-CD2 4.01Å; L43-F56 HydrophobicContact CD1-CE2 3.78Å; L43-F56 HydrophobicContact CD1-CZ 4.32Å; I51-F56 HydrophobicContact CG2-CD2 3.98Å; T52-F56 WeakPolarHBondContact O-CA 3.38Å; T52-F56 WeakPolarHBondContact O-CB 3.32Å; T52-F56 PolarHBondContact O-N 3.27Å; A53-F56 WeakPolarHBondContact O-CB 3.42Å; E54-F56 VanDerWaalsContact C-N 3.31Å; F56-L60 HydrophobicContact CD1-CD1 4Å; F56-L60 HydrophobicContact CD2-CD1 4.3Å; F56-L60 HydrophobicContact CE1-CD1 3.62Å; F56-L60 HydrophobicContact CE2-CD1 3.95Å; F56-L60 HydrophobicContact CG-CD1 4.33Å; F56-L60 HydrophobicContact CZ-CD1 3.6Å; F56-L60 WeakPolarHBondContact O-CD1 3.45Å; F56-L60 WeakPolarHBondContact O-CG 3.44Å; F56-L60 PolarHBondContact O-N 3.29Å; F56-V145 HydrophobicContact CE1-CG1 4.2Å; F56-L149 HydrophobicContact CE1-CD1 4.46Å; F56-L149 HydrophobicContact CZ-CD1 3.73Å
57M97.6Very high97.4Very high10 Ų1044.1 Ų44.15%0.04923%0.23CC..Hα-helixtrans-70.2-46.4-178.6-64.7-59.9-65.800110.9T55 K59 L60 D61 L136 H139 P142 V145T55-M57 PolarHBondContact O-N 3Å; M57-K59 VanDerWaalsContact C-N 3.3Å; M57-K59 PolarHBondContact O-N 3.11Å; M57-L60 PolarHBondContact O-N 3.05Å; M57-L60 VanDerWaalsContact O-N 3.09Å; M57-D61 WeakPolarHBondContact O-CB 3.46Å; M57-D61 PolarHBondContact O-N 3.33Å; M57-L136 HydrophobicContact CE-CD1 3.79Å; M57-L136 HydrophobicContact SD-CD1 4.5Å; M57-H139 HydrophobicContact CE-CB 4.43Å; M57-P142 HydrophobicContact CE-CB 3.94Å; M57-P142 HydrophobicContact CG-CB 4.37Å; M57-P142 HydrophobicContact SD-CB 3.8Å; M57-V145 HydrophobicContact CE-CG2 4.4Å
58E97.3Very high97.4Very high123 Ų12348.8 Ų48.858%0.57525%0.246SC*.Hα-helixtrans-58.2-38.7-179.9-63.1176.1173.300112.8T55 L60 D61T55-E58 PolarHBondContact O-N 2.91Å; E58-L60 VanDerWaalsContact C-N 3.35Å; E58-D61 VanDerWaalsContact O-CG 3.3Å; E58-D61 VanDerWaalsContact O-OD1 3.06Å
59K97.9Very high97.5Very high73 Ų7345.3 Ų45.332%0.31721%0.21SC..Hα-helixtrans-74.9-26.2178.8-76.8-174.5173.2172.20113.1E50 I51 T55 M57 L65E50-K59 PolarHBondContact O-NZ 3.36Å; I51-K59 HydrophobicContact CG1-CD 4.11Å; T55-K59 WeakPolarHBondContact O-CB 3.5Å; T55-K59 WeakPolarHBondContact O-CG 3.27Å; T55-K59 PolarHBondContact O-N 2.91Å; M57-K59 VanDerWaalsContact C-N 3.3Å; M57-K59 PolarHBondContact O-N 3.11Å; K59-L65 HydrophobicContact CB-CD1 4.05Å; K59-L65 VanDerWaalsContact O-CD1 3.3Å; K59-L65 WeakPolarHBondContact O-CD1 3.13Å
60L98.3Very high97.6Very high1 Ų137.9 Ų37.91%0.00518%0.182CC..Hα-helixtrans-92.1-21.9-177.8-65.9175.9000112.9L43 F56 M57 E58 N62 G63 L65 L66 L136 L149L43-L60 HydrophobicContact CD1-CD1 4.19Å; L43-L60 HydrophobicContact CD1-CD2 4.12Å; F56-L60 HydrophobicContact CD1-CD1 4Å; F56-L60 HydrophobicContact CD2-CD1 4.3Å; F56-L60 HydrophobicContact CE1-CD1 3.62Å; F56-L60 HydrophobicContact CE2-CD1 3.95Å; F56-L60 HydrophobicContact CG-CD1 4.33Å; F56-L60 HydrophobicContact CZ-CD1 3.6Å; F56-L60 WeakPolarHBondContact O-CD1 3.45Å; F56-L60 WeakPolarHBondContact O-CG 3.44Å; F56-L60 PolarHBondContact O-N 3.29Å; M57-L60 PolarHBondContact O-N 3.05Å; M57-L60 VanDerWaalsContact O-N 3.09Å; E58-L60 VanDerWaalsContact C-N 3.35Å; L60-N62 PolarHBondContact O-N 3.27Å; L60-N62 VanDerWaalsContact O-N 3.12Å; L60-G63 WeakPolarHBondContact O-CA 3.47Å; L60-G63 PolarHBondContact O-N 2.9Å; L60-L65 HydrophobicContact CD2-CB 3.89Å; L60-L65 HydrophobicContact CD2-CD1 4.35Å; L60-L66 HydrophobicContact CD1-CD2 4.44Å; L60-L66 HydrophobicContact CD2-CD2 3.75Å; L60-L66 HydrophobicContact CD2-CG 4.15Å; L60-L136 HydrophobicContact CB-CD1 3.97Å; L60-L136 WeakPolarHBondContact O-CD2 3.37Å; L60-L149 HydrophobicContact CD1-CD1 4.31Å
61D98.1Very high97.6Very high13 Ų1333.7 Ų33.77%0.0716%0.163CC..THydrogen-bonded Turntrans-67.2-14.6-165.870.414.8000116.2M57 E58 G63 S104 V137 H139M57-D61 WeakPolarHBondContact O-CB 3.46Å; M57-D61 PolarHBondContact O-N 3.33Å; E58-D61 VanDerWaalsContact O-CG 3.3Å; E58-D61 VanDerWaalsContact O-OD1 3.06Å; D61-G63 VanDerWaalsContact C-N 3.3Å; D61-S104 VanDerWaalsContact OD1-CB 3.22Å; D61-S104 WeakPolarHBondContact OD1-CB 3.33Å; D61-S104 PolarHBondContact OD1-OG 3.49Å; D61-S104 PolarHBondContact OD2-OG 3Å; D61-V137 WeakPolarHBondContact O-CG2 3.37Å; D61-H139 WeakPolarHBondContact CB-NE2 3.13Å; D61-H139 IonicContact OD2-CD2 3.91Å; D61-H139 IonicContact OD2-CE1 2.7Å; D61-H139 IonicContact OD2-NE2 2.79Å; D61-H139 PolarHBondContact OD2-NE2 3.43Å
62N97.9Very high97.5Very high38 Ų3834.1 Ų34.120%0.20317%0.166CC..THydrogen-bonded Turntrans-85.4-4.6171.276.56.7000113.2L60 A64 A102 A109 N112L60-N62 PolarHBondContact O-N 3.27Å; L60-N62 VanDerWaalsContact O-N 3.12Å; N62-A64 PolarHBondContact O-N 3.46Å; N62-A64 VanDerWaalsContact O-N 3.13Å; N62-A64 WeakPolarHBondContact OD1-CB 3.09Å; N62-A64 PolarHBondContact OD1-N 3.24Å; N62-A102 WeakPolarHBondContact CB-O 3.43Å; N62-A109 WeakPolarHBondContact O-CA 3.4Å; N62-N112 PolarHBondContact O-ND2 3.19Å
63G98.3Very high97.4Very high0 Ų032.1 Ų32.10%015%0.153CC..SBendtrans72.3-8.5179.700000115.6L60 D61 L66 C67L60-G63 WeakPolarHBondContact O-CA 3.47Å; L60-G63 PolarHBondContact O-N 2.9Å; D61-G63 VanDerWaalsContact C-N 3.3Å; G63-L66 PolarHBondContact O-N 3.38Å; G63-C67 PolarHBondContact O-N 3.03Å; G63-C67 VanDerWaalsContact O-N 3.1Å
64A98Very high97.3Very high14 Ų1432.7 Ų32.712%0.11616%0.155CC..Hα-helixtrans-69.7-40.7-172.700000112.7N62 L66 C67 R68N62-A64 PolarHBondContact O-N 3.46Å; N62-A64 VanDerWaalsContact O-N 3.13Å; N62-A64 WeakPolarHBondContact OD1-CB 3.09Å; N62-A64 PolarHBondContact OD1-N 3.24Å; A64-L66 VanDerWaalsContact C-N 3.28Å; A64-L66 PolarHBondContact O-N 3.02Å; A64-C67 PolarHBondContact O-N 3.49Å; A64-R68 PolarHBondContact O-N 2.81Å
65L98.1Very high97.2Very high26 Ų2630.9 Ų30.914%0.13615%0.146CC..Hα-helixtrans-65.8-32.2175.7-69.8-174.4000112.3L47 I51 K59 L60 R68 L69L47-L65 HydrophobicContact CD1-CB 4.4Å; L47-L65 HydrophobicContact CD1-CD2 4.46Å; I51-L65 HydrophobicContact CD1-CD1 4.16Å; K59-L65 HydrophobicContact CB-CD1 4.05Å; K59-L65 VanDerWaalsContact O-CD1 3.3Å; K59-L65 WeakPolarHBondContact O-CD1 3.13Å; L60-L65 HydrophobicContact CD2-CB 3.89Å; L60-L65 HydrophobicContact CD2-CD1 4.35Å; L65-R68 PolarHBondContact O-N 3.34Å; L65-L69 WeakPolarHBondContact O-CB 3.15Å; L65-L69 PolarHBondContact O-N 2.94Å
66L98.5Very high97Very high0 Ų032.5 Ų32.50%015%0.151CC..Hα-helixtrans-69.8-44.5176.5-65.4-175.9000111.6L60 G63 A64 R68 L69 A70 F116 F131 L136 L149L60-L66 HydrophobicContact CD1-CD2 4.44Å; L60-L66 HydrophobicContact CD2-CD2 3.75Å; L60-L66 HydrophobicContact CD2-CG 4.15Å; G63-L66 PolarHBondContact O-N 3.38Å; A64-L66 VanDerWaalsContact C-N 3.28Å; A64-L66 PolarHBondContact O-N 3.02Å; L66-R68 VanDerWaalsContact C-N 3.27Å; L66-R68 PolarHBondContact O-N 3.21Å; L66-L69 WeakPolarHBondContact O-CB 3.45Å; L66-L69 PolarHBondContact O-N 3.15Å; L66-A70 PolarHBondContact O-N 2.88Å; L66-F116 HydrophobicContact CB-CB 4Å; L66-F116 HydrophobicContact CB-CD1 3.89Å; L66-F116 HydrophobicContact CB-CD2 3.73Å; L66-F116 HydrophobicContact CB-CE1 4.27Å; L66-F116 HydrophobicContact CB-CE2 4.12Å; L66-F116 HydrophobicContact CB-CG 3.59Å; L66-F116 HydrophobicContact CB-CZ 4.36Å; L66-F116 HydrophobicContact CD1-CD1 3.8Å; L66-F116 HydrophobicContact CD1-CE1 4Å; L66-F116 HydrophobicContact CD1-CG 4.34Å; L66-F116 HydrophobicContact CD2-CE1 4.25Å; L66-F116 HydrophobicContact CD2-CZ 4.18Å; L66-F116 HydrophobicContact CG-CD1 4.35Å; L66-F116 HydrophobicContact CG-CE1 4.43Å; L66-F116 WeakPolarHBondContact O-CD2 3.43Å; L66-F131 HydrophobicContact CD1-CZ 3.97Å; L66-L136 HydrophobicContact CD1-CD2 3.29Å; L66-L136 HydrophobicContact CG-CD2 4.43Å; L66-L149 HydrophobicContact CD2-CD2 4.09Å
67C98.3Very high96.7Very high0 Ų033 Ų330%015%0.153CC..Hα-helixtrans-58.6-41.9171.6-68.80000111.7G63 A64 A70 E71 I96 C98 N112G63-C67 PolarHBondContact O-N 3.03Å; G63-C67 VanDerWaalsContact O-N 3.1Å; A64-C67 PolarHBondContact O-N 3.49Å; C67-A70 PolarHBondContact O-N 3.34Å; C67-E71 WeakPolarHBondContact O-CG 3.34Å; C67-E71 PolarHBondContact O-N 2.93Å; C67-I96 HydrophobicContact CB-CG2 4.06Å; C67-C98 HydrophobicContact CB-CB 3.61Å; C67-C98 WeakPolarHBondContact CB-SG 3.19Å; C67-N112 PolarHBondContact SG-O 3.48Å
68R97.4Very high96.2Very high124 Ų12436.4 Ų36.447%0.46817%0.167SC..Hα-helixtrans-64.3-41.8177.1-174.759.4176179.32.9112.3L47 A64 L65 L66 A70 E71 T72L47-R68 HydrophobicContact CD2-CB 4.45Å; L47-R68 HydrophobicContact CD2-CG 4.01Å; A64-R68 PolarHBondContact O-N 2.81Å; L65-R68 PolarHBondContact O-N 3.34Å; L66-R68 VanDerWaalsContact C-N 3.27Å; L66-R68 PolarHBondContact O-N 3.21Å; R68-A70 VanDerWaalsContact C-N 3.28Å; R68-A70 PolarHBondContact O-N 3.01Å; R68-E71 WeakPolarHBondContact CD-OE2 3.3Å; R68-E71 IonicContact NH1-OE2 2.78Å; R68-E71 PolarHBondContact NH1-OE2 3.41Å; R68-E71 PolarHBondContact O-N 3.29Å; R68-T72 PolarHBondContact O-N 2.69Å; R68-T72 PolarHBondContact O-OG1 2.77Å; R68-T72 VanDerWaalsContact O-OG1 3.13Å
69L98.2Very high95.7Very high0 Ų036.2 Ų36.20%017%0.166CC..Hα-helixtrans-56.1-46.4173.4174.668.1000111.1W42 L43 L46 L47 L65 L66 T72 L73 F116 L149 L152W42-L69 HydrophobicContact CH2-CD1 4.47Å; W42-L69 HydrophobicContact CZ3-CD2 4.4Å; L43-L69 HydrophobicContact CD2-CD1 3.8Å; L43-L69 HydrophobicContact CD2-CD2 3.54Å; L43-L69 HydrophobicContact CD2-CG 4.2Å; L46-L69 HydrophobicContact CD1-CD1 3.85Å; L47-L69 HydrophobicContact CD2-CB 4.25Å; L65-L69 WeakPolarHBondContact O-CB 3.15Å; L65-L69 PolarHBondContact O-N 2.94Å; L66-L69 WeakPolarHBondContact O-CB 3.45Å; L66-L69 PolarHBondContact O-N 3.15Å; L69-T72 PolarHBondContact O-N 3.44Å; L69-L73 HydrophobicContact CD1-CD1 3.94Å; L69-L73 HydrophobicContact CD1-CG 4.06Å; L69-L73 HydrophobicContact CG-CD1 3.94Å; L69-L73 HydrophobicContact CG-CG 4.4Å; L69-L73 WeakPolarHBondContact O-CB 3.14Å; L69-L73 WeakPolarHBondContact O-CG 3.43Å; L69-L73 PolarHBondContact O-N 3.06Å; L69-F116 HydrophobicContact CD2-CE2 4.36Å; L69-L149 HydrophobicContact CD2-CD2 3.73Å; L69-L152 HydrophobicContact CD2-CD2 3.98Å
70A97.8Very high95Very high0 Ų035.4 Ų35.40%017%0.166CC..Hα-helixtrans-63.8-41.3179.300000112.7L66 C67 R68 Q74 I96 F116 W119L66-A70 PolarHBondContact O-N 2.88Å; C67-A70 PolarHBondContact O-N 3.34Å; R68-A70 VanDerWaalsContact C-N 3.28Å; R68-A70 PolarHBondContact O-N 3.01Å; A70-Q74 VanDerWaalsContact O-CB 3.23Å; A70-Q74 WeakPolarHBondContact O-CB 3.46Å; A70-Q74 PolarHBondContact O-N 3.38Å; A70-I96 HydrophobicContact CB-CD1 3.18Å; A70-F116 HydrophobicContact CB-CD2 3.9Å; A70-F116 HydrophobicContact CB-CE2 4.24Å; A70-W119 HydrophobicContact CB-CD2 3.45Å; A70-W119 VanDerWaalsContact CB-CD2 3.45Å; A70-W119 HydrophobicContact CB-CE3 3.29Å; A70-W119 HydrophobicContact CB-CG 4.09Å; A70-W119 HydrophobicContact CB-CH2 3.9Å; A70-W119 HydrophobicContact CB-CZ2 4.03Å; A70-W119 HydrophobicContact CB-CZ3 3.54Å; A70-W119 VanDerWaalsContact O-CZ2 3.28Å; A70-W119 WeakPolarHBondContact O-CZ2 3.47Å
71E96Very high93.9Very high57 Ų5738.1 Ų38.127%0.26618%0.184SC..Hα-helixtrans-58.2-51.4171.2-70.2176.3168.500111.7C67 R68 L73 Q74 E75 I96C67-E71 WeakPolarHBondContact O-CG 3.34Å; C67-E71 PolarHBondContact O-N 2.93Å; R68-E71 WeakPolarHBondContact CD-OE2 3.3Å; R68-E71 IonicContact NH1-OE2 2.78Å; R68-E71 PolarHBondContact NH1-OE2 3.41Å; R68-E71 PolarHBondContact O-N 3.29Å; E71-L73 PolarHBondContact O-N 2.99Å; E71-Q74 PolarHBondContact O-N 3.24Å; E71-E75 WeakPolarHBondContact O-CG 3.36Å; E71-E75 PolarHBondContact O-N 3.38Å; E71-I96 HydrophobicContact CG-CD1 4.39Å
72T96.4Very high92.2Very high18 Ų1846.2 Ų46.211%0.1122%0.219CC..Hα-helixtrans-61.3-42.4-179-63.90000112.2R68 L69 E75 K76R68-T72 PolarHBondContact O-N 2.69Å; R68-T72 PolarHBondContact O-OG1 2.77Å; R68-T72 VanDerWaalsContact O-OG1 3.13Å; L69-T72 PolarHBondContact O-N 3.44Å; T72-E75 PolarHBondContact O-N 3.1Å; T72-K76 WeakPolarHBondContact O-CG 3.44Å; T72-K76 PolarHBondContact O-N 2.81Å; T72-K76 VanDerWaalsContact O-N 3.13Å
73L96Very high90.2Very high0 Ų051.3 Ų51.30%025%0.246CC..Hα-helixtrans-67.4-41.8177-73.1176.9000111.4W42 L46 L69 E71 E75 K76 F77 W119 L152 A156 V161W42-L73 HydrophobicContact CH2-CD1 4.4Å; L46-L73 HydrophobicContact CD1-CD2 4.2Å; L69-L73 HydrophobicContact CD1-CD1 3.94Å; L69-L73 HydrophobicContact CD1-CG 4.06Å; L69-L73 HydrophobicContact CG-CD1 3.94Å; L69-L73 HydrophobicContact CG-CG 4.4Å; L69-L73 WeakPolarHBondContact O-CB 3.14Å; L69-L73 WeakPolarHBondContact O-CG 3.43Å; L69-L73 PolarHBondContact O-N 3.06Å; E71-L73 PolarHBondContact O-N 2.99Å; L73-E75 VanDerWaalsContact C-N 3.28Å; L73-E75 PolarHBondContact O-N 3.43Å; L73-K76 PolarHBondContact O-N 2.85Å; L73-F77 HydrophobicContact CB-CE1 4.18Å; L73-F77 HydrophobicContact CB-CE2 4.2Å; L73-F77 HydrophobicContact CB-CZ 3.87Å; L73-F77 HydrophobicContact CD2-CE1 4.29Å; L73-F77 HydrophobicContact CD2-CZ 4.43Å; L73-F77 WeakPolarHBondContact O-CB 3.46Å; L73-F77 WeakPolarHBondContact O-CD1 3.12Å; L73-F77 WeakPolarHBondContact O-CD2 3.4Å; L73-F77 WeakPolarHBondContact O-CG 3.32Å; L73-F77 PolarHBondContact O-N 2.88Å; L73-W119 HydrophobicContact CB-CH2 3.89Å; L73-W119 HydrophobicContact CB-CZ2 4.3Å; L73-W119 HydrophobicContact CD1-CH2 4.08Å; L73-L152 HydrophobicContact CD1-CD1 4.06Å; L73-L152 HydrophobicContact CD1-CD2 3.64Å; L73-L152 HydrophobicContact CD1-CG 3.69Å; L73-A156 HydrophobicContact CD2-CB 3.91Å; L73-V161 HydrophobicContact CD2-CG1 4.01Å; L73-V161 HydrophobicContact CD2-CG2 4.26Å
74Q94Very high88.2Confident18 Ų1853.6 Ų53.68%0.08427%0.266CS..Hα-helixtrans-60.7-37.2176.7-175.2176-99.900112.3A70 E71 K78 P92 V93 R94 W119A70-Q74 VanDerWaalsContact O-CB 3.23Å; A70-Q74 WeakPolarHBondContact O-CB 3.46Å; A70-Q74 PolarHBondContact O-N 3.38Å; E71-Q74 PolarHBondContact O-N 3.24Å; Q74-K78 WeakPolarHBondContact O-CG 3.48Å; Q74-K78 PolarHBondContact O-N 2.92Å; Q74-P92 PolarHBondContact OE1-O 2.86Å; Q74-V93 HydrophobicContact CG-CG1 4.34Å; Q74-V93 HydrophobicContact CG-CG2 4.41Å; Q74-R94 PolarHBondContact NE2-O 2.93Å; Q74-R94 PolarHBondContact OE1-O 3.4Å; Q74-W119 HydrophobicContact CB-CZ2 4.25Å
75E92.6Very high86Confident97 Ų9761.2 Ų61.245%0.45330%0.304SS..Hα-helixtrans-63.3-50.8172.9-72.3169.117400111.2E71 T72 L73 F77 K78 E79E71-E75 WeakPolarHBondContact O-CG 3.36Å; E71-E75 PolarHBondContact O-N 3.38Å; T72-E75 PolarHBondContact O-N 3.1Å; L73-E75 VanDerWaalsContact C-N 3.28Å; L73-E75 PolarHBondContact O-N 3.43Å; E75-F77 VanDerWaalsContact C-N 3.28Å; E75-F77 PolarHBondContact O-N 3.06Å; E75-K78 WeakPolarHBondContact O-CB 3.43Å; E75-K78 PolarHBondContact O-N 3.47Å; E75-K78 VanDerWaalsContact O-N 3.07Å; E75-E79 PolarHBondContact O-N 3.38Å
76K92.7Very high83.8Confident71 Ų7168.3 Ų68.331%0.30933%0.334SS..Hα-helixtrans-60.2-35.8177.4-69.1-168.7177.1-152.70113.3L46 T72 L73 K78 E79 N80 V161L46-K76 HydrophobicContact CD2-CD 4.5Å; T72-K76 WeakPolarHBondContact O-CG 3.44Å; T72-K76 PolarHBondContact O-N 2.81Å; T72-K76 VanDerWaalsContact O-N 3.13Å; L73-K76 PolarHBondContact O-N 2.85Å; K76-K78 VanDerWaalsContact C-N 3.3Å; K76-K78 PolarHBondContact O-N 3.14Å; K76-E79 PolarHBondContact O-N 2.93Å; K76-N80 WeakPolarHBondContact O-CB 3.42Å; K76-N80 PolarHBondContact O-N 3.11Å; K76-N80 VanDerWaalsContact O-N 3.07Å; K76-N80 PolarHBondContact O-ND2 2.87Å; K76-V161 HydrophobicContact CB-CG2 3.77Å; K76-V161 HydrophobicContact CD-CG1 4.23Å; K76-V161 HydrophobicContact CD-CG2 3.85Å; K76-V161 HydrophobicContact CG-CG2 4.46Å
77F91.6Very high81.3Confident10 Ų1075.1 Ų75.14%0.04438%0.378CS..Hα-helixtrans-65.4-36.1177.2-63.1-10.6000111.7L73 E75 S81 L91 W119 V123 A156 F159 V161L73-F77 HydrophobicContact CB-CE1 4.18Å; L73-F77 HydrophobicContact CB-CE2 4.2Å; L73-F77 HydrophobicContact CB-CZ 3.87Å; L73-F77 HydrophobicContact CD2-CE1 4.29Å; L73-F77 HydrophobicContact CD2-CZ 4.43Å; L73-F77 WeakPolarHBondContact O-CB 3.46Å; L73-F77 WeakPolarHBondContact O-CD1 3.12Å; L73-F77 WeakPolarHBondContact O-CD2 3.4Å; L73-F77 WeakPolarHBondContact O-CG 3.32Å; L73-F77 PolarHBondContact O-N 2.88Å; E75-F77 VanDerWaalsContact C-N 3.28Å; E75-F77 PolarHBondContact O-N 3.06Å; F77-S81 WeakPolarHBondContact O-CB 3.45Å; F77-S81 PolarHBondContact O-N 3.27Å; F77-S81 VanDerWaalsContact O-N 3.15Å; F77-L91 HydrophobicContact CD2-CD1 3.37Å; F77-L91 HydrophobicContact CE2-CD1 3.71Å; F77-L91 HydrophobicContact CG-CD1 4.13Å; F77-W119 HydrophobicContact CE2-CH2 4.39Å; F77-W119 HydrophobicContact CE2-CZ2 4.33Å; F77-V123 HydrophobicContact CE2-CG1 4.4Å; F77-A156 HydrophobicContact CE1-CB 3.82Å; F77-A156 HydrophobicContact CZ-CB 3.98Å; F77-F159 HydrophobicContact CB-CD1 4.31Å; F77-F159 HydrophobicContact CB-CG 4.38Å; F77-F159 HydrophobicContact CD1-CB 3.45Å; F77-F159 VanDerWaalsContact CD1-CB 3.45Å; F77-F159 HydrophobicContact CD1-CD1 4.5Å; F77-F159 HydrophobicContact CD1-CD2 4.01Å; F77-F159 AromaticContact CD1-CG 3.75Å; F77-F159 HydrophobicContact CD1-CG 3.75Å; F77-F159 HydrophobicContact CE1-CB 3.95Å; F77-F159 HydrophobicContact CE1-CD2 4.1Å; F77-F159 HydrophobicContact CE1-CG 4.25Å; F77-F159 HydrophobicContact CG-CB 4.2Å; F77-F159 HydrophobicContact CG-CD1 4.45Å; F77-F159 HydrophobicContact CG-CD2 4.29Å; F77-F159 HydrophobicContact CG-CG 4.06Å; F77-F159 HydrophobicContact CZ-CD2 4.42Å; F77-V161 HydrophobicContact CD1-CG2 4.32Å; F77-V161 HydrophobicContact CE1-CG2 4.04Å
78K87.8Confident79.3Confident82 Ų8277.6 Ų77.636%0.35740%0.404SS..Hα-helixtrans-68.2-52.5174.4-66.9177.8-146.4176.10111Q74 E75 K76 N80 S81 F82 V93Q74-K78 WeakPolarHBondContact O-CG 3.48Å; Q74-K78 PolarHBondContact O-N 2.92Å; E75-K78 WeakPolarHBondContact O-CB 3.43Å; E75-K78 PolarHBondContact O-N 3.47Å; E75-K78 VanDerWaalsContact O-N 3.07Å; K76-K78 VanDerWaalsContact C-N 3.3Å; K76-K78 PolarHBondContact O-N 3.14Å; K78-N80 VanDerWaalsContact C-N 3.29Å; K78-N80 PolarHBondContact O-N 3.41Å; K78-S81 PolarHBondContact O-N 2.93Å; K78-F82 WeakPolarHBondContact O-CD2 3.45Å; K78-F82 PolarHBondContact O-N 3.14Å; K78-V93 HydrophobicContact CD-CG1 4.46Å; K78-V93 HydrophobicContact CD-CG2 4.1Å; K78-V93 HydrophobicContact CG-CG2 4.09Å
79E86.2Confident77.5Confident119 Ų11980.8 Ų80.856%0.55642%0.421SS*.Hα-helixtrans-51.5-50-178.7-70171.6177.100111E75 K76 S81 F82E75-E79 PolarHBondContact O-N 3.38Å; K76-E79 PolarHBondContact O-N 2.93Å; E79-S81 VanDerWaalsContact C-N 3.33Å; E79-S81 PolarHBondContact O-N 3.04Å; E79-F82 PolarHBondContact O-N 2.86Å
80N82.2Confident76Confident56 Ų5686.6 Ų86.630%0.29946%0.457SS..Hα-helixtrans-79.1-12.9-177.2-65.3-23.3000114.1K76 K78 F159K76-N80 WeakPolarHBondContact O-CB 3.42Å; K76-N80 PolarHBondContact O-N 3.11Å; K76-N80 VanDerWaalsContact O-N 3.07Å; K76-N80 PolarHBondContact O-ND2 2.87Å; K78-N80 VanDerWaalsContact C-N 3.29Å; K78-N80 PolarHBondContact O-N 3.41Å; N80-F159 VanDerWaalsContact CB-O 3.29Å; N80-F159 WeakPolarHBondContact CB-O 3.5Å; N80-F159 PolarHBondContact ND2-O 2.8Å
81S75.4Confident75.1Confident57 Ų5788.3 Ų88.340%0.39947%0.466SS..Hα-helixtrans-80.5-21.4173.4-173.60000112.8F77 K78 E79F77-S81 WeakPolarHBondContact O-CB 3.45Å; F77-S81 PolarHBondContact O-N 3.27Å; F77-S81 VanDerWaalsContact O-N 3.15Å; K78-S81 PolarHBondContact O-N 2.93Å; E79-S81 VanDerWaalsContact C-N 3.33Å; E79-S81 PolarHBondContact O-N 3.04Å
82F62.1Low74Confident184 Ų18488.6 Ų88.681%0.80747%0.473SS*.Hα-helixtrans-78.6-31.6175-78.7-78.5000112.4K78 E79K78-F82 WeakPolarHBondContact O-CD2 3.45Å; K78-F82 PolarHBondContact O-N 3.14Å; E79-F82 PolarHBondContact O-N 2.86Å
83D57.6Low73.3Confident144 Ų14491.6 Ų91.677%0.7749%0.491SS*.Hα-helixtrans-80-24.3179.4-81.1-28.9000113.6
84A55.5Low72.9Confident49 Ų4995 Ų9541%0.40550%0.504SS..  trans-95.2103.1-179.100000110.9K86A84-K86 PolarHBondContact O-N 3.43Å
85N51.6Low72.7Confident174 Ų174103 Ų10393%0.9354%0.538SS*.  trans-68.634.2170.1-139.68.2000112.9
86K52.2Low72.7Confident175 Ų17598.6 Ų98.676%0.76152%0.518SS*.SBendtrans-103.1135.5176.3-77.3-175.9177.7177.80108.6A84 G88A84-K86 PolarHBondContact O-N 3.43Å; K86-G88 PolarHBondContact O-N 3.26Å
87P46.8Very low72.8Confident142 Ų14298.5 Ų98.592%0.92252%0.524SS*.  trans-71.873.9172.631.1-33.3000109.6
88G55.7Low73Confident53 Ų53100.5 Ų100.555%0.54654%0.539SS..PPolyproline II helixtrans-83.9150.1169.600000110.2K86 T90K86-G88 PolarHBondContact O-N 3.26Å; G88-T90 PolarHBondContact O-N 2.86Å; G88-T90 VanDerWaalsContact O-N 3.08Å
89K59.2Low73.5Confident190 Ų190101 Ų10183%0.82654%0.541SS*.PPolyproline II helixtrans-54.1117.2170-77.5179.7175-179.60108.8L91K89-L91 PolarHBondContact O-N 3.31Å
90T67Low73.8Confident122 Ų12298.5 Ų98.575%0.74854%0.54SS*.PPolyproline II helixtrans-64.1118.116939.30000108.1G88G88-T90 PolarHBondContact O-N 2.86Å; G88-T90 VanDerWaalsContact O-N 3.08Å
91L78.4Confident74.4Confident36 Ų36103 Ų10319%0.18857%0.565CS.*PPolyproline II helixtrans-75.1141.1177.5-68.6-178.4000109.9F77 K89 V93 V123 F159F77-L91 HydrophobicContact CD2-CD1 3.37Å; F77-L91 HydrophobicContact CE2-CD1 3.71Å; F77-L91 HydrophobicContact CG-CD1 4.13Å; K89-L91 PolarHBondContact O-N 3.31Å; L91-V93 PolarHBondContact O-N 3.13Å; L91-V123 HydrophobicContact CD1-CB 4.19Å; L91-V123 HydrophobicContact CD1-CG1 4.26Å; L91-F159 HydrophobicContact CD1-CD2 4.21Å; L91-F159 HydrophobicContact CD1-CE1 4.08Å; L91-F159 HydrophobicContact CD1-CE2 3.47Å; L91-F159 VanDerWaalsContact CD1-CE2 3.47Å; L91-F159 HydrophobicContact CD1-CZ 3.39Å; L91-F159 HydrophobicContact CD2-CZ 4.33Å; L91-F159 HydrophobicContact CG-CE1 4.24Å; L91-F159 HydrophobicContact CG-CE2 4.21Å; L91-F159 HydrophobicContact CG-CZ 3.65Å
92P73.5Confident75.4Confident63 Ų63100.5 Ų100.541%0.40955%0.548SS..PPolyproline II helixtrans-63131.5179.225.5-33.4000110.3Q74 D122Q74-P92 PolarHBondContact OE1-O 2.86Å; P92-D122 WeakPolarHBondContact CD-O 3.49Å; P92-D122 HydrophobicContact CG-CB 3.72Å; P92-D122 WeakPolarHBondContact CG-O 3.42Å
93V80.6Confident77Confident81 Ų8195.6 Ų95.649%0.49153%0.534SS..PPolyproline II helixtrans-102.3117.4177.5175.60000108.4Q74 K78 L91Q74-V93 HydrophobicContact CG-CG1 4.34Å; Q74-V93 HydrophobicContact CG-CG2 4.41Å; K78-V93 HydrophobicContact CD-CG1 4.46Å; K78-V93 HydrophobicContact CD-CG2 4.1Å; K78-V93 HydrophobicContact CG-CG2 4.09Å; L91-V93 PolarHBondContact O-N 3.13Å
94R87.8Confident78.9Confident73 Ų7392 Ų9228%0.27552%0.52SS..  trans-141.7161.2174.867.2178.3178.6107.4-14.1113.3Q74 S118 W119 D122Q74-R94 PolarHBondContact NE2-O 2.93Å; Q74-R94 PolarHBondContact OE1-O 3.4Å; R94-S118 PolarHBondContact NH2-O 3Å; R94-S118 PolarHBondContact NH2-OG 3.05Å; R94-W119 VanDerWaalsContact NH2-CA 3.33Å; R94-D122 IonicContact CZ-OD2 3.83Å; R94-D122 IonicContact NE-OD2 3.49Å; R94-D122 PolarHBondContact NE-OD2 3.17Å; R94-D122 IonicContact NH2-OD2 2.7Å; R94-D122 PolarHBondContact NH2-OD2 3.04Å
95K90.1Very high80.7Confident186 Ų18691.1 Ų91.181%0.80952%0.516SS*.  trans-71.8134.3168.5-172.1174.9-178.41780108.9P97K95-P97 WeakPolarHBondContact O-CD 3.49Å
96I93.3Very high82.9Confident3 Ų384.1 Ų84.12%0.01548%0.481CS..  trans-102.6108.6178.1-54.7178.5000107C67 A70 E71 C98 N115 W119C67-I96 HydrophobicContact CB-CG2 4.06Å; A70-I96 HydrophobicContact CB-CD1 3.18Å; E71-I96 HydrophobicContact CG-CD1 4.39Å; I96-C98 PolarHBondContact O-N 2.86Å; I96-N115 HydrophobicContact CG2-CB 4.2Å; I96-W119 HydrophobicContact CD1-CB 4.13Å; I96-W119 HydrophobicContact CD1-CD2 4.15Å; I96-W119 HydrophobicContact CD1-CG 3.7Å; I96-W119 HydrophobicContact CG1-CG 4.37Å
97P94.6Very high85.1Confident69 Ų6982 Ų8245%0.44847%0.472SS..  trans-61.6126.3178.3-18.631.2000109.8K95 N115K95-P97 WeakPolarHBondContact O-CD 3.49Å; P97-N115 PolarHBondContact O-ND2 3.48Å
98C96.4Very high87.5Confident53 Ų5379.8 Ų79.836%0.35845%0.448SS..  trans-146.7130.3-176.5-175.90000111.1C67 I96 N112C67-C98 HydrophobicContact CB-CB 3.61Å; C67-C98 WeakPolarHBondContact CB-SG 3.19Å; I96-C98 PolarHBondContact O-N 2.86Å; C98-N112 WeakPolarHBondContact CA-OD1 3.44Å
99K96.8Very high89.6Confident93 Ų9377.2 Ų77.240%0.40442%0.422SS..  trans-102.197.5171.3-170.4179.4-174.4177.20109N101 A102 F108 N112K99-N101 PolarHBondContact O-N 3.12Å; K99-N101 VanDerWaalsContact O-N 3.17Å; K99-A102 HydrophobicContact CB-CB 4.49Å; K99-A102 WeakPolarHBondContact O-CB 3.46Å; K99-A102 PolarHBondContact O-N 3.03Å; K99-A102 VanDerWaalsContact O-N 3.11Å; K99-F108 HydrophobicContact CD-CB 3.99Å; K99-F108 HydrophobicContact CD-CD1 3.81Å; K99-F108 HydrophobicContact CD-CD2 4.49Å; K99-F108 HydrophobicContact CD-CE1 4.44Å; K99-F108 HydrophobicContact CD-CG 3.84Å; K99-N112 PolarHBondContact N-OD1 3.34Å; K99-N112 PolarHBondContact O-ND2 3.13Å
100A93.7Very high91.4Very high65 Ų6571.3 Ų71.354%0.53739%0.394SS..THydrogen-bonded Turntrans-56.4-35.1-172.600000114.4
101N94.1Very high92.9Very high151 Ų15168.4 Ų68.481%0.80737%0.374SS*.THydrogen-bonded Turntrans-101.531.4-177.9-58.8-27.4000112.2K99K99-N101 PolarHBondContact O-N 3.12Å; K99-N101 VanDerWaalsContact O-N 3.17Å
102A96.3Very high93.9Very high5 Ų566.9 Ų66.94%0.04137%0.366CS..PPolyproline II helixtrans-62.4129.917300000109.8N62 K99 S104 F108 A109 N112N62-A102 WeakPolarHBondContact CB-O 3.43Å; K99-A102 HydrophobicContact CB-CB 4.49Å; K99-A102 WeakPolarHBondContact O-CB 3.46Å; K99-A102 PolarHBondContact O-N 3.03Å; K99-A102 VanDerWaalsContact O-N 3.11Å; A102-S104 PolarHBondContact O-N 3.49Å; A102-F108 HydrophobicContact CB-CB 3.76Å; A102-A109 HydrophobicContact CB-CB 4.45Å; A102-N112 WeakPolarHBondContact CB-ND2 3.48Å
103P96.6Very high95.1Very high80 Ų8063.9 Ų63.952%0.51935%0.347SS..PPolyproline II helixtrans-62137.4172.2-20.932.3000110.6S106 A109P103-S106 WeakPolarHBondContact O-CB 3.25Å; P103-S106 PolarHBondContact O-N 2.88Å; P103-S106 PolarHBondContact O-OG 2.93Å; P103-A109 WeakPolarHBondContact O-CB 3.49Å
104S96.3Very high95.9Very high69 Ų6961.9 Ų61.948%0.48334%0.339SS..THydrogen-bonded Turntrans-55.6147.1171.5173.30000110.5D61 A102 S106D61-S104 VanDerWaalsContact OD1-CB 3.22Å; D61-S104 WeakPolarHBondContact OD1-CB 3.33Å; D61-S104 PolarHBondContact OD1-OG 3.49Å; D61-S104 PolarHBondContact OD2-OG 3Å; A102-S104 PolarHBondContact O-N 3.49Å; S104-S106 PolarHBondContact O-N 2.58Å; S104-S106 VanDerWaalsContact O-N 3.14Å
105G94.9Very high96.4Very high31 Ų3160.5 Ų60.532%0.3234%0.337SS..THydrogen-bonded Turntrans76.1-11.5-176.800000115.7
106S97.5Very high96.8Very high26 Ų2651.7 Ų51.718%0.18230%0.298CS..SBendtrans-84166-169.975.90000114.8P103 S104 F108 A109 R110P103-S106 WeakPolarHBondContact O-CB 3.25Å; P103-S106 PolarHBondContact O-N 2.88Å; P103-S106 PolarHBondContact O-OG 2.93Å; S104-S106 PolarHBondContact O-N 2.58Å; S104-S106 VanDerWaalsContact O-N 3.14Å; S106-F108 VanDerWaalsContact C-N 3.26Å; S106-F108 PolarHBondContact O-N 3.18Å; S106-F108 PolarHBondContact OG-N 3.25Å; S106-A109 WeakPolarHBondContact O-CB 3.34Å; S106-A109 PolarHBondContact O-N 2.99Å; S106-A109 VanDerWaalsContact O-N 3.12Å; S106-A109 PolarHBondContact OG-N 3.46Å; S106-R110 WeakPolarHBondContact O-CG 3.49Å; S106-R110 PolarHBondContact O-N 2.89Å; S106-R110 VanDerWaalsContact O-N 3.13Å
107F97.4Very high97.1Very high132 Ų13251.9 Ų51.958%0.57930%0.299SS*.Hα-helixtrans-54.5-40.7169.1-177.5-99.1000112.5A109 R110 D111F107-A109 VanDerWaalsContact C-N 3.33Å; F107-A109 PolarHBondContact O-N 3.09Å; F107-R110 WeakPolarHBondContact O-CB 3.39Å; F107-R110 PolarHBondContact O-N 2.7Å; F107-D111 WeakPolarHBondContact CE1-OD2 2.96Å; F107-D111 WeakPolarHBondContact CZ-OD1 2.95Å; F107-D111 PolarHBondContact O-N 3.24Å
108F98.1Very high97.3Very high94 Ų9450.7 Ų50.741%0.41229%0.293SS..Hα-helixtrans-66-33.6177.6-60.8-66.6000113.2K99 A102 S106 R110 D111 N112K99-F108 HydrophobicContact CD-CB 3.99Å; K99-F108 HydrophobicContact CD-CD1 3.81Å; K99-F108 HydrophobicContact CD-CD2 4.49Å; K99-F108 HydrophobicContact CD-CE1 4.44Å; K99-F108 HydrophobicContact CD-CG 3.84Å; A102-F108 HydrophobicContact CB-CB 3.76Å; S106-F108 VanDerWaalsContact C-N 3.26Å; S106-F108 PolarHBondContact O-N 3.18Å; S106-F108 PolarHBondContact OG-N 3.25Å; F108-R110 VanDerWaalsContact C-N 3.34Å; F108-D111 PolarHBondContact O-N 3.1Å; F108-N112 PolarHBondContact O-N 3.33Å
109A98.4Very high97.3Very high0 Ų048.1 Ų48.10%028%0.275CS..Hα-helixtrans-68-37.3174.900000111.6N62 A102 P103 S106 F107 N112 T113 V137N62-A109 WeakPolarHBondContact O-CA 3.4Å; A102-A109 HydrophobicContact CB-CB 4.45Å; P103-A109 WeakPolarHBondContact O-CB 3.49Å; S106-A109 WeakPolarHBondContact O-CB 3.34Å; S106-A109 PolarHBondContact O-N 2.99Å; S106-A109 VanDerWaalsContact O-N 3.12Å; S106-A109 PolarHBondContact OG-N 3.46Å; F107-A109 VanDerWaalsContact C-N 3.33Å; F107-A109 PolarHBondContact O-N 3.09Å; A109-N112 PolarHBondContact O-N 2.94Å; A109-T113 WeakPolarHBondContact O-CB 3.18Å; A109-T113 PolarHBondContact O-N 3.37Å; A109-T113 PolarHBondContact O-OG1 2.84Å; A109-V137 HydrophobicContact CB-CG1 4.2Å; A109-V137 HydrophobicContact CB-CG2 4.08Å
110R98.4Very high97.3Very high65 Ų6543.7 Ų43.725%0.24526%0.256CS..Hα-helixtrans-65.7-43174.3-64.5156.4-176.4-164.3-1111.3S106 F107 F108 T113 A114 S133 E134 V137S106-R110 WeakPolarHBondContact O-CG 3.49Å; S106-R110 PolarHBondContact O-N 2.89Å; S106-R110 VanDerWaalsContact O-N 3.13Å; F107-R110 WeakPolarHBondContact O-CB 3.39Å; F107-R110 PolarHBondContact O-N 2.7Å; F108-R110 VanDerWaalsContact C-N 3.34Å; R110-T113 PolarHBondContact O-N 3.39Å; R110-A114 WeakPolarHBondContact O-CB 3.46Å; R110-A114 PolarHBondContact O-N 2.82Å; R110-S133 WeakPolarHBondContact O-CB 3.38Å; R110-E134 WeakPolarHBondContact CD-OE1 3.23Å; R110-E134 IonicContact CZ-OE1 2.68Å; R110-E134 IonicContact CZ-OE2 3.36Å; R110-E134 VanDerWaalsContact NE-CD 3.25Å; R110-E134 IonicContact NE-OE1 3.67Å; R110-E134 PolarHBondContact NE-OE1 3.36Å; R110-E134 IonicContact NE-OE2 3.77Å; R110-E134 PolarHBondContact NE-OE2 3.32Å; R110-E134 VanDerWaalsContact NE-OE2 3.08Å; R110-E134 IonicContact NH1-OE1 3.53Å; R110-E134 PolarHBondContact NH1-OE1 2.85Å; R110-E134 IonicContact NH1-OE2 3.54Å; R110-E134 PolarHBondContact NH1-OE2 2.73Å; R110-E134 IonicContact NH2-OE1 3.83Å; R110-E134 PolarHBondContact NH2-OE1 3.44Å; R110-E134 IonicContact NH2-OE2 3.45Å; R110-E134 PolarHBondContact NH2-OE2 2.9Å; R110-V137 HydrophobicContact CB-CG2 4.47Å; R110-V137 HydrophobicContact CG-CB 4.04Å; R110-V137 HydrophobicContact CG-CG1 3.96Å; R110-V137 HydrophobicContact CG-CG2 3.79Å
111D98.4Very high97.5Very high62 Ų6246.4 Ų46.433%0.33225%0.253SS..Hα-helixtrans-60.8-47.3175.2-79.9-3.9000111.9F107 F108 T113 A114 N115F107-D111 WeakPolarHBondContact CE1-OD2 2.96Å; F107-D111 WeakPolarHBondContact CZ-OD1 2.95Å; F107-D111 PolarHBondContact O-N 3.24Å; F108-D111 PolarHBondContact O-N 3.1Å; D111-T113 VanDerWaalsContact C-N 3.3Å; D111-T113 PolarHBondContact O-N 3.39Å; D111-A114 PolarHBondContact O-N 2.67Å; D111-N115 PolarHBondContact O-N 3.27Å; D111-N115 PolarHBondContact O-ND2 3.43Å; D111-N115 VanDerWaalsContact O-ND2 3.15Å
112N98.6Very high97.5Very high4 Ų442.4 Ų42.42%0.02123%0.231CC..Hα-helixtrans-54.7-49.4174.4-74.2-14.8000111N62 C67 C98 K99 A102 F108 A109 A114 N115 F116N62-N112 PolarHBondContact O-ND2 3.19Å; C67-N112 PolarHBondContact SG-O 3.48Å; C98-N112 WeakPolarHBondContact CA-OD1 3.44Å; K99-N112 PolarHBondContact N-OD1 3.34Å; K99-N112 PolarHBondContact O-ND2 3.13Å; A102-N112 WeakPolarHBondContact CB-ND2 3.48Å; F108-N112 PolarHBondContact O-N 3.33Å; A109-N112 PolarHBondContact O-N 2.94Å; N112-A114 PolarHBondContact O-N 2.87Å; N112-N115 PolarHBondContact O-N 2.94Å; N112-F116 PolarHBondContact O-N 3.16Å
113T98.6Very high97.4Very high0 Ų042.6 Ų42.60%023%0.232CC..Hα-helixtrans-64-40.7-179.7-54.50000111.8A109 R110 D111 N115 F116 L117 F131 L136A109-T113 WeakPolarHBondContact O-CB 3.18Å; A109-T113 PolarHBondContact O-N 3.37Å; A109-T113 PolarHBondContact O-OG1 2.84Å; R110-T113 PolarHBondContact O-N 3.39Å; D111-T113 VanDerWaalsContact C-N 3.3Å; D111-T113 PolarHBondContact O-N 3.39Å; T113-N115 VanDerWaalsContact C-N 3.34Å; T113-N115 PolarHBondContact O-N 3.47Å; T113-F116 WeakPolarHBondContact O-CB 3.3Å; T113-F116 PolarHBondContact O-N 3.16Å; T113-L117 HydrophobicContact CG2-CD1 4.16Å; T113-L117 VanDerWaalsContact O-CG 3.3Å; T113-L117 WeakPolarHBondContact O-CG 3.36Å; T113-L117 PolarHBondContact O-N 3.48Å; T113-F131 HydrophobicContact CG2-CE2 3.49Å; T113-F131 VanDerWaalsContact CG2-CE2 3.49Å; T113-F131 HydrophobicContact CG2-CZ 4Å; T113-L136 HydrophobicContact CG2-CB 4.23Å; T113-L136 HydrophobicContact CG2-CD2 3.69Å
114A98.6Very high97.3Very high39 Ų3941.2 Ų41.232%0.32223%0.232SC..Hα-helixtrans-64.3-38.6176.600000112R110 D111 N112 L117 S118R110-A114 WeakPolarHBondContact O-CB 3.46Å; R110-A114 PolarHBondContact O-N 2.82Å; D111-A114 PolarHBondContact O-N 2.67Å; N112-A114 PolarHBondContact O-N 2.87Å; A114-L117 PolarHBondContact O-N 3.47Å; A114-S118 WeakPolarHBondContact O-CB 3.27Å; A114-S118 PolarHBondContact O-N 3.27Å
115N98.4Very high97.4Very high44 Ų4438.2 Ų38.224%0.23521%0.211CC..Hα-helixtrans-63.9-42174.7-69-33000111.6I96 P97 D111 N112 T113 S118 W119I96-N115 HydrophobicContact CG2-CB 4.2Å; P97-N115 PolarHBondContact O-ND2 3.48Å; D111-N115 PolarHBondContact O-N 3.27Å; D111-N115 PolarHBondContact O-ND2 3.43Å; D111-N115 VanDerWaalsContact O-ND2 3.15Å; N112-N115 PolarHBondContact O-N 2.94Å; T113-N115 VanDerWaalsContact C-N 3.34Å; T113-N115 PolarHBondContact O-N 3.47Å; N115-S118 PolarHBondContact O-N 3.06Å; N115-W119 PolarHBondContact O-N 2.96Å
116F98.5Very high97.4Very high0 Ų040.8 Ų40.80%022%0.217CC..Hα-helixtrans-60-49.9172168.1-103000112L66 L69 A70 N112 T113 S118 W119 C120 F131 L149 L152L66-F116 HydrophobicContact CB-CB 4Å; L66-F116 HydrophobicContact CB-CD1 3.89Å; L66-F116 HydrophobicContact CB-CD2 3.73Å; L66-F116 HydrophobicContact CB-CE1 4.27Å; L66-F116 HydrophobicContact CB-CE2 4.12Å; L66-F116 HydrophobicContact CB-CG 3.59Å; L66-F116 HydrophobicContact CB-CZ 4.36Å; L66-F116 HydrophobicContact CD1-CD1 3.8Å; L66-F116 HydrophobicContact CD1-CE1 4Å; L66-F116 HydrophobicContact CD1-CG 4.34Å; L66-F116 HydrophobicContact CD2-CE1 4.25Å; L66-F116 HydrophobicContact CD2-CZ 4.18Å; L66-F116 HydrophobicContact CG-CD1 4.35Å; L66-F116 HydrophobicContact CG-CE1 4.43Å; L66-F116 WeakPolarHBondContact O-CD2 3.43Å; L69-F116 HydrophobicContact CD2-CE2 4.36Å; A70-F116 HydrophobicContact CB-CD2 3.9Å; A70-F116 HydrophobicContact CB-CE2 4.24Å; N112-F116 PolarHBondContact O-N 3.16Å; T113-F116 WeakPolarHBondContact O-CB 3.3Å; T113-F116 PolarHBondContact O-N 3.16Å; F116-S118 VanDerWaalsContact C-N 3.3Å; F116-S118 PolarHBondContact O-N 2.94Å; F116-W119 HydrophobicContact CD2-CE3 4.43Å; F116-W119 HydrophobicContact CE2-CE3 4.37Å; F116-W119 HydrophobicContact CE2-CZ3 4.36Å; F116-W119 CarbonylContact O-C 3.46Å; F116-W119 WeakPolarHBondContact O-CA 3.49Å; F116-W119 WeakPolarHBondContact O-CB 3.46Å; F116-W119 PolarHBondContact O-N 3.39Å; F116-C120 VanDerWaalsContact CE1-SG 3.52Å; F116-C120 WeakPolarHBondContact CZ-SG 3.4Å; F116-C120 PolarHBondContact O-N 3.3Å; F116-C120 PolarHBondContact O-SG 3.07Å; F116-F131 HydrophobicContact CD1-CZ 4.26Å; F116-F131 HydrophobicContact CE1-CE1 4.12Å; F116-F131 HydrophobicContact CE1-CZ 4.17Å; F116-L149 HydrophobicContact CZ-CD2 4.06Å; F116-L152 HydrophobicContact CE2-CD2 4.11Å; F116-L152 HydrophobicContact CZ-CD2 4.03Å
117L98.5Very high97.3Very high7 Ų744.6 Ų44.64%0.03724%0.236CC..Hα-helixtrans-62.2-38.2179.8-70.7168.1000112.3T113 A114 W119 C120 R121 L130 F131T113-L117 HydrophobicContact CG2-CD1 4.16Å; T113-L117 VanDerWaalsContact O-CG 3.3Å; T113-L117 WeakPolarHBondContact O-CG 3.36Å; T113-L117 PolarHBondContact O-N 3.48Å; A114-L117 PolarHBondContact O-N 3.47Å; L117-W119 VanDerWaalsContact C-N 3.3Å; L117-W119 PolarHBondContact O-N 3.11Å; L117-C120 WeakPolarHBondContact O-CB 3.49Å; L117-C120 PolarHBondContact O-N 2.82Å; L117-R121 PolarHBondContact O-N 3.45Å; L117-R121 VanDerWaalsContact O-N 3.17Å; L117-L130 HydrophobicContact CD2-CB 4.4Å; L117-L130 HydrophobicContact CD2-CD2 3.99Å; L117-F131 HydrophobicContact CD1-CD2 4.39Å; L117-F131 HydrophobicContact CD1-CE2 4.19Å; L117-F131 WeakPolarHBondContact CD1-O 3.33Å; L117-F131 HydrophobicContact CD2-CD1 3.8Å; L117-F131 HydrophobicContact CD2-CD2 4.33Å; L117-F131 HydrophobicContact CD2-CE1 3.59Å; L117-F131 HydrophobicContact CD2-CE2 4.11Å; L117-F131 HydrophobicContact CD2-CG 4.17Å; L117-F131 HydrophobicContact CD2-CZ 3.74Å; L117-F131 WeakPolarHBondContact CD2-O 3.32Å; L117-F131 HydrophobicContact CG-CE2 4.37Å; L117-F131 HydrophobicContact CG-CZ 4.23Å
118S97.9Very high97.1Very high44 Ų4444.3 Ų44.331%0.30825%0.245SC..Hα-helixtrans-60.2-42.2172172.40000111.1R94 A114 N115 F116 R121 D122R94-S118 PolarHBondContact NH2-O 3Å; R94-S118 PolarHBondContact NH2-OG 3.05Å; A114-S118 WeakPolarHBondContact O-CB 3.27Å; A114-S118 PolarHBondContact O-N 3.27Å; N115-S118 PolarHBondContact O-N 3.06Å; F116-S118 VanDerWaalsContact C-N 3.3Å; F116-S118 PolarHBondContact O-N 2.94Å; S118-R121 PolarHBondContact O-N 2.9Å; S118-D122 VanDerWaalsContact O-CG 3.26Å; S118-D122 PolarHBondContact O-N 2.91Å
119W97.4Very high97Very high0 Ų041.2 Ų41.20%024%0.235CC..Hα-helixtrans-68.5-36.8176.2174.289000112.3A70 L73 Q74 F77 R94 I96 N115 F116 L117 R121 D122 V123 L152A70-W119 HydrophobicContact CB-CD2 3.45Å; A70-W119 VanDerWaalsContact CB-CD2 3.45Å; A70-W119 HydrophobicContact CB-CE3 3.29Å; A70-W119 HydrophobicContact CB-CG 4.09Å; A70-W119 HydrophobicContact CB-CH2 3.9Å; A70-W119 HydrophobicContact CB-CZ2 4.03Å; A70-W119 HydrophobicContact CB-CZ3 3.54Å; A70-W119 VanDerWaalsContact O-CZ2 3.28Å; A70-W119 WeakPolarHBondContact O-CZ2 3.47Å; L73-W119 HydrophobicContact CB-CH2 3.89Å; L73-W119 HydrophobicContact CB-CZ2 4.3Å; L73-W119 HydrophobicContact CD1-CH2 4.08Å; Q74-W119 HydrophobicContact CB-CZ2 4.25Å; F77-W119 HydrophobicContact CE2-CH2 4.39Å; F77-W119 HydrophobicContact CE2-CZ2 4.33Å; R94-W119 VanDerWaalsContact NH2-CA 3.33Å; I96-W119 HydrophobicContact CD1-CB 4.13Å; I96-W119 HydrophobicContact CD1-CD2 4.15Å; I96-W119 HydrophobicContact CD1-CG 3.7Å; I96-W119 HydrophobicContact CG1-CG 4.37Å; N115-W119 PolarHBondContact O-N 2.96Å; F116-W119 HydrophobicContact CD2-CE3 4.43Å; F116-W119 HydrophobicContact CE2-CE3 4.37Å; F116-W119 HydrophobicContact CE2-CZ3 4.36Å; F116-W119 CarbonylContact O-C 3.46Å; F116-W119 WeakPolarHBondContact O-CA 3.49Å; F116-W119 WeakPolarHBondContact O-CB 3.46Å; F116-W119 PolarHBondContact O-N 3.39Å; L117-W119 VanDerWaalsContact C-N 3.3Å; L117-W119 PolarHBondContact O-N 3.11Å; W119-R121 VanDerWaalsContact C-N 3.28Å; W119-R121 PolarHBondContact O-N 3.13Å; W119-D122 WeakPolarHBondContact O-CB 3.42Å; W119-D122 PolarHBondContact O-N 3.11Å; W119-D122 VanDerWaalsContact O-N 3.08Å; W119-V123 HydrophobicContact CD2-CG1 4.11Å; W119-V123 HydrophobicContact CE3-CG2 4.3Å; W119-V123 HydrophobicContact CH2-CG1 4.12Å; W119-V123 HydrophobicContact CH2-CG2 4.18Å; W119-V123 HydrophobicContact CZ2-CG1 3.58Å; W119-V123 HydrophobicContact CZ2-CG2 4.47Å; W119-V123 HydrophobicContact CZ3-CG2 4.09Å; W119-V123 PolarHBondContact O-N 3.39Å; W119-L152 HydrophobicContact CH2-CD1 3.92Å; W119-L152 HydrophobicContact CZ3-CD1 3.68Å; W119-L152 HydrophobicContact CZ3-CD2 3.91Å; W119-L152 HydrophobicContact CZ3-CG 4.44Å
120C97.8Very high96.9Very high0 Ų042.3 Ų42.30%024%0.24CC..Hα-helixtrans-56.5-42.1174.2-72.40000112.2F116 L117 D122 V123 G124 V125 L130F116-C120 VanDerWaalsContact CE1-SG 3.52Å; F116-C120 WeakPolarHBondContact CZ-SG 3.4Å; F116-C120 PolarHBondContact O-N 3.3Å; F116-C120 PolarHBondContact O-SG 3.07Å; L117-C120 WeakPolarHBondContact O-CB 3.49Å; L117-C120 PolarHBondContact O-N 2.82Å; C120-D122 VanDerWaalsContact C-N 3.35Å; C120-V123 VanDerWaalsContact O-CG2 3.24Å; C120-V123 WeakPolarHBondContact O-CG2 3.34Å; C120-V123 PolarHBondContact O-N 3.41Å; C120-G124 PolarHBondContact O-N 2.96Å; C120-V125 HydrophobicContact CB-CB 4Å; C120-V125 HydrophobicContact CB-CG2 3.88Å; C120-V125 WeakPolarHBondContact O-CB 3.5Å; C120-V125 WeakPolarHBondContact O-CG2 3.47Å; C120-V125 PolarHBondContact O-N 3.44Å; C120-L130 HydrophobicContact CB-CD2 3.73Å
121R96.8Very high96.9Very high122 Ų12239.5 Ų39.546%0.4623%0.23SC..Hα-helixtrans-60.3-45.2173.7-69.2-175-169.296.91.7111.9L117 S118 W119 V123 G124 D127 L130L117-R121 PolarHBondContact O-N 3.45Å; L117-R121 VanDerWaalsContact O-N 3.17Å; S118-R121 PolarHBondContact O-N 2.9Å; W119-R121 VanDerWaalsContact C-N 3.28Å; W119-R121 PolarHBondContact O-N 3.13Å; R121-V123 VanDerWaalsContact C-N 3.25Å; R121-V123 PolarHBondContact O-N 2.86Å; R121-G124 PolarHBondContact O-N 2.89Å; R121-D127 WeakPolarHBondContact CD-OD1 3.32Å; R121-D127 IonicContact CZ-OD1 3.39Å; R121-D127 IonicContact NE-OD1 3.76Å; R121-D127 PolarHBondContact NE-OD1 3.06Å; R121-L130 HydrophobicContact CG-CD1 3.45Å; R121-L130 VanDerWaalsContact CG-CD1 3.45Å
122D94.6Very high96.9Very high67 Ų6742.5 Ų42.536%0.35824%0.242SC..Hα-helixtrans-62.1-33.8-178.1-59.7-29.7000112.4P92 R94 S118 W119 C120 G124P92-D122 WeakPolarHBondContact CD-O 3.49Å; P92-D122 HydrophobicContact CG-CB 3.72Å; P92-D122 WeakPolarHBondContact CG-O 3.42Å; R94-D122 IonicContact CZ-OD2 3.83Å; R94-D122 IonicContact NE-OD2 3.49Å; R94-D122 PolarHBondContact NE-OD2 3.17Å; R94-D122 IonicContact NH2-OD2 2.7Å; R94-D122 PolarHBondContact NH2-OD2 3.04Å; S118-D122 VanDerWaalsContact O-CG 3.26Å; S118-D122 PolarHBondContact O-N 2.91Å; W119-D122 WeakPolarHBondContact O-CB 3.42Å; W119-D122 PolarHBondContact O-N 3.11Å; W119-D122 VanDerWaalsContact O-N 3.08Å; C120-D122 VanDerWaalsContact C-N 3.35Å; D122-G124 VanDerWaalsContact C-N 3.3Å
123V94.4Very high96.9Very high8 Ų843.8 Ų43.85%0.04825%0.251CS..THydrogen-bonded Turntrans-84.9-2175.9-57.20000114F77 L91 W119 C120 R121 V125 L152F77-V123 HydrophobicContact CE2-CG1 4.4Å; L91-V123 HydrophobicContact CD1-CB 4.19Å; L91-V123 HydrophobicContact CD1-CG1 4.26Å; W119-V123 HydrophobicContact CD2-CG1 4.11Å; W119-V123 HydrophobicContact CE3-CG2 4.3Å; W119-V123 HydrophobicContact CH2-CG1 4.12Å; W119-V123 HydrophobicContact CH2-CG2 4.18Å; W119-V123 HydrophobicContact CZ2-CG1 3.58Å; W119-V123 HydrophobicContact CZ2-CG2 4.47Å; W119-V123 HydrophobicContact CZ3-CG2 4.09Å; W119-V123 PolarHBondContact O-N 3.39Å; C120-V123 VanDerWaalsContact O-CG2 3.24Å; C120-V123 WeakPolarHBondContact O-CG2 3.34Å; C120-V123 PolarHBondContact O-N 3.41Å; R121-V123 VanDerWaalsContact C-N 3.25Å; R121-V123 PolarHBondContact O-N 2.86Å; V123-V125 HydrophobicContact CG2-CG2 4.32Å; V123-L152 HydrophobicContact CG2-CD1 3.96Å
124G94.6Very high96.8Very high51 Ų5146.6 Ų46.653%0.52626%0.264SS..THydrogen-bonded Turntrans94.923172.800000115.5C120 R121 D122 D126C120-G124 PolarHBondContact O-N 2.96Å; R121-G124 PolarHBondContact O-N 2.89Å; D122-G124 VanDerWaalsContact C-N 3.3Å; G124-D126 PolarHBondContact O-N 3.34Å
125V96.6Very high96.7Very high6 Ų644.8 Ų44.84%0.03625%0.249CC..  trans-68.2125.4165.2179.60000108.3C120 V123 C129 L130 E151 L152 I155C120-V125 HydrophobicContact CB-CB 4Å; C120-V125 HydrophobicContact CB-CG2 3.88Å; C120-V125 WeakPolarHBondContact O-CB 3.5Å; C120-V125 WeakPolarHBondContact O-CG2 3.47Å; C120-V125 PolarHBondContact O-N 3.44Å; V123-V125 HydrophobicContact CG2-CG2 4.32Å; V125-C129 HydrophobicContact CG1-CB 4.13Å; V125-L130 HydrophobicContact CB-CD2 4.13Å; V125-L130 HydrophobicContact CG1-CD2 3.57Å; V125-L130 HydrophobicContact CG1-CG 4.19Å; V125-E151 HydrophobicContact CG1-CB 4.33Å; V125-E151 HydrophobicContact CG1-CG 3.98Å; V125-L152 HydrophobicContact CG2-CB 4.46Å; V125-L152 HydrophobicContact CG2-CD1 4.25Å; V125-I155 HydrophobicContact CB-CD1 4.38Å; V125-I155 HydrophobicContact CG2-CD1 3.62Å
126D95Very high96.7Very high86 Ų8642.7 Ų42.746%0.4624%0.238SC..  trans-65141.1179.2-171-87.9000111.6G124 T128 C129 L130G124-D126 PolarHBondContact O-N 3.34Å; D126-T128 PolarHBondContact O-N 2.88Å; D126-T128 VanDerWaalsContact O-N 3.14Å; D126-T128 VanDerWaalsContact OD1-CB 3.24Å; D126-T128 WeakPolarHBondContact OD1-CB 3.44Å; D126-T128 VanDerWaalsContact OD1-CG2 3.3Å; D126-T128 WeakPolarHBondContact OD1-CG2 3.39Å; D126-T128 PolarHBondContact OD1-N 3.3Å; D126-T128 PolarHBondContact OD1-OG1 2.73Å; D126-C129 WeakPolarHBondContact O-CB 3.37Å; D126-C129 PolarHBondContact O-N 2.67Å; D126-L130 PolarHBondContact O-N 3.42Å
127D95.7Very high96.7Very high106 Ų10642.9 Ų42.957%0.56724%0.239SC*.G310 helixtrans-58.8-28.8-178.1-79.9-39.2000112.4R121 C129 L130R121-D127 WeakPolarHBondContact CD-OD1 3.32Å; R121-D127 IonicContact CZ-OD1 3.39Å; R121-D127 IonicContact NE-OD1 3.76Å; R121-D127 PolarHBondContact NE-OD1 3.06Å; D127-C129 PolarHBondContact O-N 2.97Å; D127-L130 PolarHBondContact O-N 3.33Å; D127-L130 WeakPolarHBondContact OD1-CD1 3.4Å
128T94.5Very high96.6Very high125 Ų12545.9 Ų45.977%0.76726%0.255SS*.G310 helixtrans-69.1-16.6176.465.60000113.6D126D126-T128 PolarHBondContact O-N 2.88Å; D126-T128 VanDerWaalsContact O-N 3.14Å; D126-T128 VanDerWaalsContact OD1-CB 3.24Å; D126-T128 WeakPolarHBondContact OD1-CB 3.44Å; D126-T128 VanDerWaalsContact OD1-CG2 3.3Å; D126-T128 WeakPolarHBondContact OD1-CG2 3.39Å; D126-T128 PolarHBondContact OD1-N 3.3Å; D126-T128 PolarHBondContact OD1-OG1 2.73Å
129C94.6Very high96.4Very high30 Ų3047.3 Ų47.320%0.20326%0.256CS..G310 helixtrans-98.1-8.7176.7-68.70000112.8V125 D126 D127 C148 E151V125-C129 HydrophobicContact CG1-CB 4.13Å; D126-C129 WeakPolarHBondContact O-CB 3.37Å; D126-C129 PolarHBondContact O-N 2.67Å; D127-C129 PolarHBondContact O-N 2.97Å; C129-C148 WeakPolarHBondContact O-CA 3.28Å; C129-C148 WeakPolarHBondContact O-CB 3.48Å; C129-C148 PolarHBondContact O-N 3.11Å; C129-E151 HydrophobicContact CB-CB 4.2Å; C129-E151 HydrophobicContact CB-CG 4.28Å
130L97.6Very high96.3Very high22 Ų2254.6 Ų54.612%0.11529%0.288CS..  trans-80.3150.4178.8-63.4177.5000111.6L117 C120 R121 V125 D126 D127L117-L130 HydrophobicContact CD2-CB 4.4Å; L117-L130 HydrophobicContact CD2-CD2 3.99Å; C120-L130 HydrophobicContact CB-CD2 3.73Å; R121-L130 HydrophobicContact CG-CD1 3.45Å; R121-L130 VanDerWaalsContact CG-CD1 3.45Å; V125-L130 HydrophobicContact CB-CD2 4.13Å; V125-L130 HydrophobicContact CG1-CD2 3.57Å; V125-L130 HydrophobicContact CG1-CG 4.19Å; D126-L130 PolarHBondContact O-N 3.42Å; D127-L130 PolarHBondContact O-N 3.33Å; D127-L130 WeakPolarHBondContact OD1-CD1 3.4Å
131F98.1Very high96.1Very high7 Ų756.5 Ų56.53%0.03130%0.297CS..  trans-104.8170170.363.1-84.9000110.2L66 T113 F116 L117 L136 E144 V145 C148L66-F131 HydrophobicContact CD1-CZ 3.97Å; T113-F131 HydrophobicContact CG2-CE2 3.49Å; T113-F131 VanDerWaalsContact CG2-CE2 3.49Å; T113-F131 HydrophobicContact CG2-CZ 4Å; F116-F131 HydrophobicContact CD1-CZ 4.26Å; F116-F131 HydrophobicContact CE1-CE1 4.12Å; F116-F131 HydrophobicContact CE1-CZ 4.17Å; L117-F131 HydrophobicContact CD1-CD2 4.39Å; L117-F131 HydrophobicContact CD1-CE2 4.19Å; L117-F131 WeakPolarHBondContact CD1-O 3.33Å; L117-F131 HydrophobicContact CD2-CD1 3.8Å; L117-F131 HydrophobicContact CD2-CD2 4.33Å; L117-F131 HydrophobicContact CD2-CE1 3.59Å; L117-F131 HydrophobicContact CD2-CE2 4.11Å; L117-F131 HydrophobicContact CD2-CG 4.17Å; L117-F131 HydrophobicContact CD2-CZ 3.74Å; L117-F131 WeakPolarHBondContact CD2-O 3.32Å; L117-F131 HydrophobicContact CG-CE2 4.37Å; L117-F131 HydrophobicContact CG-CZ 4.23Å; F131-L136 HydrophobicContact CD2-CB 3.9Å; F131-L136 HydrophobicContact CE2-CB 3.47Å; F131-L136 VanDerWaalsContact CE2-CB 3.47Å; F131-L136 HydrophobicContact CE2-CD2 3.94Å; F131-L136 HydrophobicContact CE2-CG 4.3Å; F131-L136 HydrophobicContact CZ-CB 4.4Å; F131-L136 HydrophobicContact CZ-CD2 4.18Å; F131-E144 HydrophobicContact CB-CB 3.63Å; F131-V145 HydrophobicContact CB-CG2 4.25Å; F131-V145 HydrophobicContact CD1-CB 4.32Å; F131-V145 HydrophobicContact CD1-CG2 3.9Å; F131-V145 HydrophobicContact CD2-CG2 3.62Å; F131-V145 HydrophobicContact CE1-CB 4.49Å; F131-V145 HydrophobicContact CE1-CG2 4.12Å; F131-V145 HydrophobicContact CE2-CG2 3.9Å; F131-V145 HydrophobicContact CG-CB 4.49Å; F131-V145 HydrophobicContact CG-CG2 3.65Å; F131-V145 HydrophobicContact CZ-CG2 4.13Å; F131-C148 HydrophobicContact CD1-CB 3.63Å; F131-C148 HydrophobicContact CE1-CB 3.91Å
132E98.1Very high96.1Very high125 Ų12552.3 Ų52.358%0.58429%0.285SS*.  trans-88.7145.9174.7-62.3178.7177.500110.8E134 G135 L136E132-E134 VanDerWaalsContact C-N 3.27Å; E132-E134 PolarHBondContact O-N 3.47Å; E132-G135 VanDerWaalsContact O-CA 3.3Å; E132-G135 WeakPolarHBondContact O-CA 3.28Å; E132-G135 PolarHBondContact O-N 3.18Å; E132-L136 PolarHBondContact O-N 3.16Å
133S98.1Very high96Very high30 Ų3055.4 Ų55.421%0.2129%0.292CS..Hα-helixtrans-56.4-41.7179.553.60000112.8R110 G135 L136 V137R110-S133 WeakPolarHBondContact O-CB 3.38Å; S133-G135 VanDerWaalsContact C-N 3.26Å; S133-G135 PolarHBondContact O-N 3.17Å; S133-L136 PolarHBondContact O-N 2.79Å; S133-V137 WeakPolarHBondContact O-CB 3.39Å; S133-V137 WeakPolarHBondContact O-CG2 3.21Å; S133-V137 PolarHBondContact O-N 3.05Å; S133-V137 VanDerWaalsContact O-N 3.1Å
134E97.3Very high96.1Very high60 Ų6058 Ų5828%0.2830%0.304SS..Hα-helixtrans-60.5-34.8171.5-67.3-68.1160.600113R110 E132 L136 V137 L138R110-E134 WeakPolarHBondContact CD-OE1 3.23Å; R110-E134 IonicContact CZ-OE1 2.68Å; R110-E134 IonicContact CZ-OE2 3.36Å; R110-E134 VanDerWaalsContact NE-CD 3.25Å; R110-E134 IonicContact NE-OE1 3.67Å; R110-E134 PolarHBondContact NE-OE1 3.36Å; R110-E134 IonicContact NE-OE2 3.77Å; R110-E134 PolarHBondContact NE-OE2 3.32Å; R110-E134 VanDerWaalsContact NE-OE2 3.08Å; R110-E134 IonicContact NH1-OE1 3.53Å; R110-E134 PolarHBondContact NH1-OE1 2.85Å; R110-E134 IonicContact NH1-OE2 3.54Å; R110-E134 PolarHBondContact NH1-OE2 2.73Å; R110-E134 IonicContact NH2-OE1 3.83Å; R110-E134 PolarHBondContact NH2-OE1 3.44Å; R110-E134 IonicContact NH2-OE2 3.45Å; R110-E134 PolarHBondContact NH2-OE2 2.9Å; E132-E134 VanDerWaalsContact C-N 3.27Å; E132-E134 PolarHBondContact O-N 3.47Å; E134-L136 VanDerWaalsContact C-N 3.33Å; E134-L136 PolarHBondContact O-N 3.08Å; E134-V137 PolarHBondContact O-N 2.93Å; E134-L138 VanDerWaalsContact O-CB 3.3Å; E134-L138 WeakPolarHBondContact O-CB 3.43Å; E134-L138 PolarHBondContact O-N 3.26Å; E134-L138 VanDerWaalsContact OE2-CD1 3.28Å; E134-L138 WeakPolarHBondContact OE2-CD1 3.33Å
135G96.9Very high96.3Very high1 Ų155.6 Ų55.61%0.0128%0.279CS..Hα-helixtrans-60.2-40.9-179.500000112.8E132 S133 H139 K140 Q141E132-G135 VanDerWaalsContact O-CA 3.3Å; E132-G135 WeakPolarHBondContact O-CA 3.28Å; E132-G135 PolarHBondContact O-N 3.18Å; S133-G135 VanDerWaalsContact C-N 3.26Å; S133-G135 PolarHBondContact O-N 3.17Å; G135-H139 CarbonylContact O-C 3.41Å; G135-H139 PolarHBondContact O-N 2.71Å; G135-K140 PolarHBondContact O-N 3.43Å; G135-Q141 PolarHBondContact O-N 2.9Å
136L98.1Very high96.3Very high0 Ų055.3 Ų55.30%028%0.277CS..Hα-helixtrans-76.5-52.2172.517366.9000111.6M57 L60 L66 T113 F131 E132 S133 E134 L138 H139 V145M57-L136 HydrophobicContact CE-CD1 3.79Å; M57-L136 HydrophobicContact SD-CD1 4.5Å; L60-L136 HydrophobicContact CB-CD1 3.97Å; L60-L136 WeakPolarHBondContact O-CD2 3.37Å; L66-L136 HydrophobicContact CD1-CD2 3.29Å; L66-L136 HydrophobicContact CG-CD2 4.43Å; T113-L136 HydrophobicContact CG2-CB 4.23Å; T113-L136 HydrophobicContact CG2-CD2 3.69Å; F131-L136 HydrophobicContact CD2-CB 3.9Å; F131-L136 HydrophobicContact CE2-CB 3.47Å; F131-L136 VanDerWaalsContact CE2-CB 3.47Å; F131-L136 HydrophobicContact CE2-CD2 3.94Å; F131-L136 HydrophobicContact CE2-CG 4.3Å; F131-L136 HydrophobicContact CZ-CB 4.4Å; F131-L136 HydrophobicContact CZ-CD2 4.18Å; E132-L136 PolarHBondContact O-N 3.16Å; S133-L136 PolarHBondContact O-N 2.79Å; E134-L136 VanDerWaalsContact C-N 3.33Å; E134-L136 PolarHBondContact O-N 3.08Å; L136-L138 PolarHBondContact O-N 2.78Å; L136-H139 PolarHBondContact O-CD2 3.49Å; L136-H139 VanDerWaalsContact O-CD2 3.25Å; L136-H139 PolarHBondContact O-N 3.17Å; L136-V145 HydrophobicContact CB-CG2 3.97Å; L136-V145 HydrophobicContact CD1-CG1 4.19Å; L136-V145 HydrophobicContact CD1-CG2 3.91Å; L136-V145 HydrophobicContact CG-CG2 4.49Å
137V97.7Very high96.4Very high4 Ų453.2 Ų53.22%0.02427%0.266CS..Hα-helixtrans-62.4-31.3-170.5172.80000112.3D61 A109 R110 S133 E134D61-V137 WeakPolarHBondContact O-CG2 3.37Å; A109-V137 HydrophobicContact CB-CG1 4.2Å; A109-V137 HydrophobicContact CB-CG2 4.08Å; R110-V137 HydrophobicContact CB-CG2 4.47Å; R110-V137 HydrophobicContact CG-CB 4.04Å; R110-V137 HydrophobicContact CG-CG1 3.96Å; R110-V137 HydrophobicContact CG-CG2 3.79Å; S133-V137 WeakPolarHBondContact O-CB 3.39Å; S133-V137 WeakPolarHBondContact O-CG2 3.21Å; S133-V137 PolarHBondContact O-N 3.05Å; S133-V137 VanDerWaalsContact O-N 3.1Å; E134-V137 PolarHBondContact O-N 2.93Å
138L96.3Very high96.5Very high69 Ų6948.1 Ų48.136%0.36124%0.239SC..THydrogen-bonded Turntrans-102.68.7175.9-57.9-179.3000113.2E134 L136 K140E134-L138 VanDerWaalsContact O-CB 3.3Å; E134-L138 WeakPolarHBondContact O-CB 3.43Å; E134-L138 PolarHBondContact O-N 3.26Å; E134-L138 VanDerWaalsContact OE2-CD1 3.28Å; E134-L138 WeakPolarHBondContact OE2-CD1 3.33Å; L136-L138 PolarHBondContact O-N 2.78Å; L138-K140 HydrophobicContact CB-CD 4.12Å; L138-K140 HydrophobicContact CB-CG 3.98Å; L138-K140 HydrophobicContact CD1-CD 4.36Å; L138-K140 PolarHBondContact O-N 3.41Å
139H95.3Very high96.7Very high74 Ų7442.2 Ų42.234%0.34320%0.202SC..THydrogen-bonded Turntrans56.530.2179.7-61.6-155.3000113.6M57 D61 G135 L136M57-H139 HydrophobicContact CE-CB 4.43Å; D61-H139 WeakPolarHBondContact CB-NE2 3.13Å; D61-H139 IonicContact OD2-CD2 3.91Å; D61-H139 IonicContact OD2-CE1 2.7Å; D61-H139 IonicContact OD2-NE2 2.79Å; D61-H139 PolarHBondContact OD2-NE2 3.43Å; G135-H139 CarbonylContact O-C 3.41Å; G135-H139 PolarHBondContact O-N 2.71Å; L136-H139 PolarHBondContact O-CD2 3.49Å; L136-H139 VanDerWaalsContact O-CD2 3.25Å; L136-H139 PolarHBondContact O-N 3.17Å
140K93.6Very high96.8Very high154 Ų15440.9 Ų40.967%0.6719%0.193SC*.SBendtrans-87.6-21.3-178.2-67.6-177.8177.9178.60114G135 L138G135-K140 PolarHBondContact O-N 3.43Å; L138-K140 HydrophobicContact CB-CD 4.12Å; L138-K140 HydrophobicContact CB-CG 3.98Å; L138-K140 HydrophobicContact CD1-CD 4.36Å; L138-K140 PolarHBondContact O-N 3.41Å
141Q94.9Very high96.8Very high40 Ų4041.3 Ų41.319%0.18719%0.194CC..  trans-12751.3-175.4-67.9-179.1-23.600113.1G135 R143 E144 V145G135-Q141 PolarHBondContact O-N 2.9Å; Q141-R143 PolarHBondContact O-N 3.12Å; Q141-E144 VanDerWaalsContact CA-OE2 3.29Å; Q141-E144 WeakPolarHBondContact CA-OE2 3.49Å; Q141-E144 HydrophobicContact CB-CB 4.18Å; Q141-E144 HydrophobicContact CB-CG 4.42Å; Q141-E144 WeakPolarHBondContact CB-OE2 3.34Å; Q141-E144 PolarHBondContact O-N 3.14Å; Q141-V145 VanDerWaalsContact O-CG2 3.27Å; Q141-V145 WeakPolarHBondContact O-CG2 3.26Å; Q141-V145 PolarHBondContact O-N 3.24Å; Q141-V145 VanDerWaalsContact O-N 3.07Å
142P95.6Very high96.8Very high33 Ų3341 Ų4121%0.21419%0.193CC..Hα-helixtrans-62.1-31-177.726.8-35.3000112.9L32 M57 C146L32-P142 HydrophobicContact CD1-CB 4.02Å; L32-P142 HydrophobicContact CD1-CG 3.93Å; M57-P142 HydrophobicContact CE-CB 3.94Å; M57-P142 HydrophobicContact CG-CB 4.37Å; M57-P142 HydrophobicContact SD-CB 3.8Å; P142-C146 PolarHBondContact O-N 3.31Å; P142-C146 VanDerWaalsContact O-N 3.16Å; P142-C146 PolarHBondContact O-SG 3.21Å
143R93.9Very high96.8Very high133 Ų13335 Ų3550%0.50217%0.165SC..Hα-helixtrans-67.7-49178.9178.5172.4-175.2-81.8-4.5111L32 Q141 V145 C146 L147L32-R143 HydrophobicContact CD1-CB 3.98Å; L32-R143 HydrophobicContact CD2-CB 3.83Å; L32-R143 HydrophobicContact CD2-CG 3.88Å; Q141-R143 PolarHBondContact O-N 3.12Å; R143-V145 VanDerWaalsContact C-N 3.31Å; R143-V145 PolarHBondContact O-N 3.18Å; R143-C146 WeakPolarHBondContact O-CB 2.92Å; R143-C146 PolarHBondContact O-N 3.35Å; R143-C146 VanDerWaalsContact O-N 3.16Å; R143-L147 HydrophobicContact CG-CD1 4.11Å; R143-L147 HydrophobicContact CG-CG 4.48Å; R143-L147 WeakPolarHBondContact O-CG 3.28Å; R143-L147 PolarHBondContact O-N 3.25Å
144E96Very high96.7Very high62 Ų6235.9 Ų35.929%0.2916%0.164SC..Hα-helixtrans-66.1-37.1-177.7-62.362.7-141.700110.2F131 Q141 C146 L147 C148F131-E144 HydrophobicContact CB-CB 3.63Å; Q141-E144 VanDerWaalsContact CA-OE2 3.29Å; Q141-E144 WeakPolarHBondContact CA-OE2 3.49Å; Q141-E144 HydrophobicContact CB-CB 4.18Å; Q141-E144 HydrophobicContact CB-CG 4.42Å; Q141-E144 WeakPolarHBondContact CB-OE2 3.34Å; Q141-E144 PolarHBondContact O-N 3.14Å; E144-C146 PolarHBondContact O-N 3.25Å; E144-L147 PolarHBondContact O-N 2.93Å; E144-C148 WeakPolarHBondContact O-CB 3.36Å; E144-C148 PolarHBondContact O-N 2.8Å
145V98.1Very high96.6Very high0 Ų033.2 Ų33.20%015%0.152CC..Hα-helixtrans-57.5-48.5170.4172.90000111.1F56 M57 F131 L136 Q141 R143 L147 C148 L149F56-V145 HydrophobicContact CE1-CG1 4.2Å; M57-V145 HydrophobicContact CE-CG2 4.4Å; F131-V145 HydrophobicContact CB-CG2 4.25Å; F131-V145 HydrophobicContact CD1-CB 4.32Å; F131-V145 HydrophobicContact CD1-CG2 3.9Å; F131-V145 HydrophobicContact CD2-CG2 3.62Å; F131-V145 HydrophobicContact CE1-CB 4.49Å; F131-V145 HydrophobicContact CE1-CG2 4.12Å; F131-V145 HydrophobicContact CE2-CG2 3.9Å; F131-V145 HydrophobicContact CG-CB 4.49Å; F131-V145 HydrophobicContact CG-CG2 3.65Å; F131-V145 HydrophobicContact CZ-CG2 4.13Å; L136-V145 HydrophobicContact CB-CG2 3.97Å; L136-V145 HydrophobicContact CD1-CG1 4.19Å; L136-V145 HydrophobicContact CD1-CG2 3.91Å; L136-V145 HydrophobicContact CG-CG2 4.49Å; Q141-V145 VanDerWaalsContact O-CG2 3.27Å; Q141-V145 WeakPolarHBondContact O-CG2 3.26Å; Q141-V145 PolarHBondContact O-N 3.24Å; Q141-V145 VanDerWaalsContact O-N 3.07Å; R143-V145 VanDerWaalsContact C-N 3.31Å; R143-V145 PolarHBondContact O-N 3.18Å; V145-L147 PolarHBondContact O-N 2.62Å; V145-C148 PolarHBondContact O-N 2.77Å; V145-L149 HydrophobicContact CG1-CD1 4.09Å; V145-L149 WeakPolarHBondContact O-CG 3.3Å; V145-L149 PolarHBondContact O-N 2.82Å; V145-L149 VanDerWaalsContact O-N 3.11Å
146C97.4Very high96.5Very high0 Ų033.2 Ų33.20%015%0.151CC..Hα-helixtrans-62.5-41.8177.3-67.90000112.4M35 L39 P142 R143 E144 L149 L150M35-C146 HydrophobicContact CB-CB 4.24Å; M35-C146 HydrophobicContact CE-CB 3.84Å; L39-C146 HydrophobicContact CD1-CB 3.68Å; L39-C146 WeakPolarHBondContact CD1-O 3.39Å; P142-C146 PolarHBondContact O-N 3.31Å; P142-C146 VanDerWaalsContact O-N 3.16Å; P142-C146 PolarHBondContact O-SG 3.21Å; R143-C146 WeakPolarHBondContact O-CB 2.92Å; R143-C146 PolarHBondContact O-N 3.35Å; R143-C146 VanDerWaalsContact O-N 3.16Å; E144-C146 PolarHBondContact O-N 3.25Å; C146-L149 PolarHBondContact O-N 3.3Å; C146-L150 WeakPolarHBondContact O-CB 3.43Å; C146-L150 WeakPolarHBondContact O-CG 3.18Å; C146-L150 PolarHBondContact O-N 3.02Å
147L95.8Very high96.4Very high42 Ų4233.9 Ų33.922%0.2216%0.157CC..Hα-helixtrans-65.2-43.8179.3-68.4174.9000112.2M35 R143 E144 V145 L149 L150 E151M35-L147 HydrophobicContact CE-CD2 3.7Å; M35-L147 HydrophobicContact CE-CG 4.28Å; R143-L147 HydrophobicContact CG-CD1 4.11Å; R143-L147 HydrophobicContact CG-CG 4.48Å; R143-L147 WeakPolarHBondContact O-CG 3.28Å; R143-L147 PolarHBondContact O-N 3.25Å; E144-L147 PolarHBondContact O-N 2.93Å; V145-L147 PolarHBondContact O-N 2.62Å; L147-L149 VanDerWaalsContact C-N 3.31Å; L147-L149 PolarHBondContact O-N 3.49Å; L147-L150 PolarHBondContact O-N 2.7Å; L147-E151 PolarHBondContact O-N 3.06Å
148C98.2Very high96.1Very high0 Ų042.6 Ų42.60%019%0.189CC..Hα-helixtrans-56.8-45.7174.9-177.80000111.6C129 F131 E144 V145 E151 L152C129-C148 WeakPolarHBondContact O-CA 3.28Å; C129-C148 WeakPolarHBondContact O-CB 3.48Å; C129-C148 PolarHBondContact O-N 3.11Å; F131-C148 HydrophobicContact CD1-CB 3.63Å; F131-C148 HydrophobicContact CE1-CB 3.91Å; E144-C148 WeakPolarHBondContact O-CB 3.36Å; E144-C148 PolarHBondContact O-N 2.8Å; V145-C148 PolarHBondContact O-N 2.77Å; C148-E151 PolarHBondContact O-N 2.74Å; C148-L152 WeakPolarHBondContact O-CB 3.29Å; C148-L152 PolarHBondContact O-N 3.26Å
149L98.6Very high95.9Very high0 Ų041.4 Ų41.40%018%0.181CC..Hα-helixtrans-71.4-34.3-179.2-69.5171.9000112.6L39 L43 F56 L60 L66 L69 F116 V145 C146 L147 L152 G153L39-L149 HydrophobicContact CD1-CB 4.02Å; L39-L149 HydrophobicContact CD1-CD1 4.39Å; L39-L149 HydrophobicContact CD2-CB 3.79Å; L43-L149 HydrophobicContact CD1-CD1 4.33Å; F56-L149 HydrophobicContact CE1-CD1 4.46Å; F56-L149 HydrophobicContact CZ-CD1 3.73Å; L60-L149 HydrophobicContact CD1-CD1 4.31Å; L66-L149 HydrophobicContact CD2-CD2 4.09Å; L69-L149 HydrophobicContact CD2-CD2 3.73Å; F116-L149 HydrophobicContact CZ-CD2 4.06Å; V145-L149 HydrophobicContact CG1-CD1 4.09Å; V145-L149 WeakPolarHBondContact O-CG 3.3Å; V145-L149 PolarHBondContact O-N 2.82Å; V145-L149 VanDerWaalsContact O-N 3.11Å; C146-L149 PolarHBondContact O-N 3.3Å; L147-L149 VanDerWaalsContact C-N 3.31Å; L147-L149 PolarHBondContact O-N 3.49Å; L149-L152 PolarHBondContact O-N 3.09Å; L149-G153 PolarHBondContact O-N 3.4Å
150L97.7Very high95.8Very high3 Ų340.7 Ų40.72%0.01619%0.194CC..Hα-helixtrans-64.9-42171.9-75.9171.4000111.4M35 L39 C146 L147 L152 G153 R154 P164 L166 I167M35-L150 HydrophobicContact CE-CD1 3.34Å; L39-L150 HydrophobicContact CD1-CG 4.33Å; L39-L150 HydrophobicContact CD2-CD2 3.96Å; L39-L150 HydrophobicContact CD2-CG 4.11Å; L39-L150 HydrophobicContact CG-CD2 4.39Å; L39-L150 HydrophobicContact CG-CG 4.44Å; C146-L150 WeakPolarHBondContact O-CB 3.43Å; C146-L150 WeakPolarHBondContact O-CG 3.18Å; C146-L150 PolarHBondContact O-N 3.02Å; L147-L150 PolarHBondContact O-N 2.7Å; L150-L152 VanDerWaalsContact C-N 3.35Å; L150-G153 CarbonylContact O-C 3.56Å; L150-G153 WeakPolarHBondContact O-CA 3.41Å; L150-G153 PolarHBondContact O-N 3.31Å; L150-G153 VanDerWaalsContact O-N 3.14Å; L150-R154 PolarHBondContact O-N 3.12Å; L150-P164 HydrophobicContact CD2-CB 4.09Å; L150-P164 HydrophobicContact CD2-CG 4.25Å; L150-L166 HydrophobicContact CD1-CD1 4.25Å; L150-L166 HydrophobicContact CD2-CB 4.12Å; L150-L166 HydrophobicContact CD2-CD1 4.21Å; L150-I167 HydrophobicContact CB-CD1 4.26Å; L150-I167 HydrophobicContact CD2-CD1 4.08Å; L150-I167 HydrophobicContact CD2-CG1 4.12Å
151E97.3Very high95.9Very high30 Ų3033.6 Ų33.614%0.1416%0.164CC..Hα-helixtrans-62.9-43.5175.1-175.155.2-153.400111.4V125 C129 L147 C148 G153 R154 I155V125-E151 HydrophobicContact CG1-CB 4.33Å; V125-E151 HydrophobicContact CG1-CG 3.98Å; C129-E151 HydrophobicContact CB-CB 4.2Å; C129-E151 HydrophobicContact CB-CG 4.28Å; L147-E151 PolarHBondContact O-N 3.06Å; C148-E151 PolarHBondContact O-N 2.74Å; E151-G153 VanDerWaalsContact C-N 3.26Å; E151-G153 PolarHBondContact O-N 2.97Å; E151-R154 WeakPolarHBondContact O-CB 3.45Å; E151-R154 PolarHBondContact O-N 3.35Å; E151-R154 WeakPolarHBondContact OE2-CD 3.32Å; E151-R154 IonicContact OE2-CZ 2.72Å; E151-R154 IonicContact OE2-NE 3.99Å; E151-R154 IonicContact OE2-NH1 2.96Å; E151-R154 PolarHBondContact OE2-NH1 3.24Å; E151-I155 PolarHBondContact O-N 2.91Å
152L97.7Very high95.9Very high0 Ų037.6 Ų37.60%018%0.183CC..Hα-helixtrans-60.1-38.6172.8-173.360.1000111.9L69 L73 F116 W119 V123 V125 C148 L149 L150 I155 A156L69-L152 HydrophobicContact CD2-CD2 3.98Å; L73-L152 HydrophobicContact CD1-CD1 4.06Å; L73-L152 HydrophobicContact CD1-CD2 3.64Å; L73-L152 HydrophobicContact CD1-CG 3.69Å; F116-L152 HydrophobicContact CE2-CD2 4.11Å; F116-L152 HydrophobicContact CZ-CD2 4.03Å; W119-L152 HydrophobicContact CH2-CD1 3.92Å; W119-L152 HydrophobicContact CZ3-CD1 3.68Å; W119-L152 HydrophobicContact CZ3-CD2 3.91Å; W119-L152 HydrophobicContact CZ3-CG 4.44Å; V123-L152 HydrophobicContact CG2-CD1 3.96Å; V125-L152 HydrophobicContact CG2-CB 4.46Å; V125-L152 HydrophobicContact CG2-CD1 4.25Å; C148-L152 WeakPolarHBondContact O-CB 3.29Å; C148-L152 PolarHBondContact O-N 3.26Å; L149-L152 PolarHBondContact O-N 3.09Å; L150-L152 VanDerWaalsContact C-N 3.35Å; L152-I155 PolarHBondContact O-N 2.86Å; L152-A156 VanDerWaalsContact O-CB 3.25Å; L152-A156 WeakPolarHBondContact O-CB 3.49Å; L152-A156 PolarHBondContact O-N 2.86Å
153G97.8Very high96Very high0 Ų036.7 Ų36.70%018%0.176CC..Hα-helixtrans-60.9-39.1172.100000113.3L149 L150 E151 A156 A157L149-G153 PolarHBondContact O-N 3.4Å; L150-G153 CarbonylContact O-C 3.56Å; L150-G153 WeakPolarHBondContact O-CA 3.41Å; L150-G153 PolarHBondContact O-N 3.31Å; L150-G153 VanDerWaalsContact O-N 3.14Å; E151-G153 VanDerWaalsContact C-N 3.26Å; E151-G153 PolarHBondContact O-N 2.97Å; G153-A156 PolarHBondContact O-N 2.84Å; G153-A157 WeakPolarHBondContact O-CB 3.22Å; G153-A157 PolarHBondContact O-N 2.92Å
154R96.3Very high96.2Very high49 Ų4930.4 Ų30.419%0.18515%0.153CC..Hα-helixtrans-62.8-47.2173.4-67.2-172.6-171.793.75111.7L150 E151 A157 I167 E170L150-R154 PolarHBondContact O-N 3.12Å; E151-R154 WeakPolarHBondContact O-CB 3.45Å; E151-R154 PolarHBondContact O-N 3.35Å; E151-R154 WeakPolarHBondContact OE2-CD 3.32Å; E151-R154 IonicContact OE2-CZ 2.72Å; E151-R154 IonicContact OE2-NE 3.99Å; E151-R154 IonicContact OE2-NH1 2.96Å; E151-R154 PolarHBondContact OE2-NH1 3.24Å; R154-A157 WeakPolarHBondContact O-CB 3.36Å; R154-A157 PolarHBondContact O-N 2.97Å; R154-I167 HydrophobicContact CG-CD1 3.57Å; R154-I167 HydrophobicContact CG-CG1 4.08Å; R154-I167 HydrophobicContact CG-CG2 3.91Å; R154-E170 WeakPolarHBondContact CD-OE1 3.48Å; R154-E170 IonicContact CZ-OE1 3.18Å; R154-E170 IonicContact CZ-OE2 3.17Å; R154-E170 IonicContact NE-OE1 3.53Å; R154-E170 PolarHBondContact NE-OE1 2.88Å; R154-E170 IonicContact NE-OE2 2.95Å; R154-E170 PolarHBondContact NE-OE2 3.39Å; R154-E170 IonicContact NH2-OE1 2.76Å; R154-E170 IonicContact NH2-OE2 2.68Å; R154-E170 PolarHBondContact NH2-OE2 3.48Å
155I95.4Very high96.3Very high4 Ų428.1 Ų28.12%0.02115%0.146CC..Hα-helixtrans-61-49.9177.9-65.4170.8000109.2V125 E151 L152 A157 R158 F159V125-I155 HydrophobicContact CB-CD1 4.38Å; V125-I155 HydrophobicContact CG2-CD1 3.62Å; E151-I155 PolarHBondContact O-N 2.91Å; L152-I155 PolarHBondContact O-N 2.86Å; I155-A157 PolarHBondContact O-N 3.16Å; I155-R158 VanDerWaalsContact O-CB 3.29Å; I155-R158 WeakPolarHBondContact O-CB 3.45Å; I155-R158 PolarHBondContact O-N 3.18Å; I155-F159 HydrophobicContact CG2-CD2 4.43Å; I155-F159 HydrophobicContact CG2-CE2 4.11Å; I155-F159 WeakPolarHBondContact O-CD2 3.45Å
156A95.6Very high96.2Very high0 Ų028.1 Ų28.10%015%0.146CC..Hα-helixtrans-58.5-35.9-178.600000112.6L73 F77 L152 G153 R158 F159 G160 V161L73-A156 HydrophobicContact CD2-CB 3.91Å; F77-A156 HydrophobicContact CE1-CB 3.82Å; F77-A156 HydrophobicContact CZ-CB 3.98Å; L152-A156 VanDerWaalsContact O-CB 3.25Å; L152-A156 WeakPolarHBondContact O-CB 3.49Å; L152-A156 PolarHBondContact O-N 2.86Å; G153-A156 PolarHBondContact O-N 2.84Å; A156-R158 PolarHBondContact O-N 3.48Å; A156-F159 CarbonylContact O-C 3.6Å; A156-F159 WeakPolarHBondContact O-CA 3.44Å; A156-F159 PolarHBondContact O-N 3.39Å; A156-G160 PolarHBondContact O-N 3.45Å; A156-V161 HydrophobicContact CB-CB 3.85Å; A156-V161 HydrophobicContact CB-CG1 4.24Å; A156-V161 HydrophobicContact CB-CG2 4.24Å; A156-V161 WeakPolarHBondContact O-CB 3.46Å; A156-V161 PolarHBondContact O-N 3.12Å; A156-V161 VanDerWaalsContact O-N 3.12Å
157A95.1Very high96.2Very high15 Ų1528.1 Ų28.112%0.12415%0.146CC..Hα-helixtrans-61.2-28.817500000114G153 R154 I155 F159 G160 V161 P163 K171G153-A157 WeakPolarHBondContact O-CB 3.22Å; G153-A157 PolarHBondContact O-N 2.92Å; R154-A157 WeakPolarHBondContact O-CB 3.36Å; R154-A157 PolarHBondContact O-N 2.97Å; I155-A157 PolarHBondContact O-N 3.16Å; A157-F159 PolarHBondContact O-N 3.07Å; A157-G160 PolarHBondContact O-N 2.95Å; A157-V161 VanDerWaalsContact CA-O 3.32Å; A157-V161 WeakPolarHBondContact CA-O 3.48Å; A157-P163 HydrophobicContact CB-CB 3.88Å; A157-P163 HydrophobicContact CB-CG 3.98Å; A157-K171 VanDerWaalsContact CB-NZ 3.29Å
158R92.5Very high96.3Very high186 Ų18630.3 Ų30.370%0.70215%0.154SC*.Hα-helixtrans-70-22.6176.1-59.7175.8-177.6159.93.1111.7I155 A156I155-R158 VanDerWaalsContact O-CB 3.29Å; I155-R158 WeakPolarHBondContact O-CB 3.45Å; I155-R158 PolarHBondContact O-N 3.18Å; A156-R158 PolarHBondContact O-N 3.48Å
159F91.6Very high96.1Very high44 Ų4431.3 Ų31.319%0.19316%0.159CC..THydrogen-bonded Turntrans-103.826.2176.5-61.9-87.7000111.8F77 N80 L91 I155 A156 A157 V161F77-F159 HydrophobicContact CB-CD1 4.31Å; F77-F159 HydrophobicContact CB-CG 4.38Å; F77-F159 HydrophobicContact CD1-CB 3.45Å; F77-F159 VanDerWaalsContact CD1-CB 3.45Å; F77-F159 HydrophobicContact CD1-CD1 4.5Å; F77-F159 HydrophobicContact CD1-CD2 4.01Å; F77-F159 AromaticContact CD1-CG 3.75Å; F77-F159 HydrophobicContact CD1-CG 3.75Å; F77-F159 HydrophobicContact CE1-CB 3.95Å; F77-F159 HydrophobicContact CE1-CD2 4.1Å; F77-F159 HydrophobicContact CE1-CG 4.25Å; F77-F159 HydrophobicContact CG-CB 4.2Å; F77-F159 HydrophobicContact CG-CD1 4.45Å; F77-F159 HydrophobicContact CG-CD2 4.29Å; F77-F159 HydrophobicContact CG-CG 4.06Å; F77-F159 HydrophobicContact CZ-CD2 4.42Å; N80-F159 VanDerWaalsContact CB-O 3.29Å; N80-F159 WeakPolarHBondContact CB-O 3.5Å; N80-F159 PolarHBondContact ND2-O 2.8Å; L91-F159 HydrophobicContact CD1-CD2 4.21Å; L91-F159 HydrophobicContact CD1-CE1 4.08Å; L91-F159 HydrophobicContact CD1-CE2 3.47Å; L91-F159 VanDerWaalsContact CD1-CE2 3.47Å; L91-F159 HydrophobicContact CD1-CZ 3.39Å; L91-F159 HydrophobicContact CD2-CZ 4.33Å; L91-F159 HydrophobicContact CG-CE1 4.24Å; L91-F159 HydrophobicContact CG-CE2 4.21Å; L91-F159 HydrophobicContact CG-CZ 3.65Å; I155-F159 HydrophobicContact CG2-CD2 4.43Å; I155-F159 HydrophobicContact CG2-CE2 4.11Å; I155-F159 WeakPolarHBondContact O-CD2 3.45Å; A156-F159 CarbonylContact O-C 3.6Å; A156-F159 WeakPolarHBondContact O-CA 3.44Å; A156-F159 PolarHBondContact O-N 3.39Å; A157-F159 PolarHBondContact O-N 3.07Å; F159-V161 VanDerWaalsContact C-N 3.25Å; F159-V161 PolarHBondContact O-N 3.24Å
160G92.1Very high96Very high60 Ų6031.9 Ų31.962%0.61916%0.162SC*.THydrogen-bonded Turntrans73.76.9173.100000115.8A156 A157A156-G160 PolarHBondContact O-N 3.45Å; A157-G160 PolarHBondContact O-N 2.95Å
161V95.4Very high95.8Very high5 Ų536.1 Ų36.13%0.0318%0.18CC..PPolyproline II helixtrans-78.8130.1172.4-175.90000109.2L46 L73 K76 F77 A156 A157 F159 P163L46-V161 HydrophobicContact CD2-CG1 3.91Å; L73-V161 HydrophobicContact CD2-CG1 4.01Å; L73-V161 HydrophobicContact CD2-CG2 4.26Å; K76-V161 HydrophobicContact CB-CG2 3.77Å; K76-V161 HydrophobicContact CD-CG1 4.23Å; K76-V161 HydrophobicContact CD-CG2 3.85Å; K76-V161 HydrophobicContact CG-CG2 4.46Å; F77-V161 HydrophobicContact CD1-CG2 4.32Å; F77-V161 HydrophobicContact CE1-CG2 4.04Å; A156-V161 HydrophobicContact CB-CB 3.85Å; A156-V161 HydrophobicContact CB-CG1 4.24Å; A156-V161 HydrophobicContact CB-CG2 4.24Å; A156-V161 WeakPolarHBondContact O-CB 3.46Å; A156-V161 PolarHBondContact O-N 3.12Å; A156-V161 VanDerWaalsContact O-N 3.12Å; A157-V161 VanDerWaalsContact CA-O 3.32Å; A157-V161 WeakPolarHBondContact CA-O 3.48Å; F159-V161 VanDerWaalsContact C-N 3.25Å; F159-V161 PolarHBondContact O-N 3.24Å; V161-P163 WeakPolarHBondContact O-CD 3.48Å
162E96.3Very high95.6Very high124 Ų12437.1 Ų37.158%0.57918%0.184SC*.PPolyproline II helixtrans-59.4122178-171.265.9-175.600110.7W42 K168W42-E162 PolarHBondContact NE1-O 2.81Å; E162-K168 WeakPolarHBondContact OE1-CE 3.22Å; E162-K168 IonicContact OE1-NZ 3.63Å; E162-K168 PolarHBondContact OE1-NZ 3.5Å
163P97.2Very high95.4Very high13 Ų1337.2 Ų37.28%0.08419%0.185CC..PPolyproline II helixtrans-84.1169.3-174.232.5-34.7000113.1A157 V161 I167 K168A157-P163 HydrophobicContact CB-CB 3.88Å; A157-P163 HydrophobicContact CB-CG 3.98Å; V161-P163 WeakPolarHBondContact O-CD 3.48Å; P163-I167 HydrophobicContact CB-CB 3.96Å; P163-I167 HydrophobicContact CB-CG2 3.83Å; P163-I167 HydrophobicContact CG-CG2 4.29Å; P163-K168 HydrophobicContact CG-CG 3.84Å; P163-K168 WeakPolarHBondContact O-CE 3.3Å
164P98.1Very high95.1Very high2 Ų241.7 Ų41.71%0.01321%0.206CC..PPolyproline II helixtrans-56.2154.5168.7-21.231.3000112.5D38 L39 W42 L150 L166 I167 K168D38-P164 WeakPolarHBondContact OD2-CB 3.23Å; L39-P164 HydrophobicContact CD2-CB 4.48Å; L39-P164 HydrophobicContact CD2-CG 4.05Å; W42-P164 HydrophobicContact CB-CB 4.33Å; W42-P164 HydrophobicContact CB-CG 4.15Å; W42-P164 HydrophobicContact CD2-CG 3.65Å; W42-P164 HydrophobicContact CE3-CG 4.02Å; W42-P164 HydrophobicContact CG-CB 4.32Å; W42-P164 HydrophobicContact CG-CG 3.7Å; L150-P164 HydrophobicContact CD2-CB 4.09Å; L150-P164 HydrophobicContact CD2-CG 4.25Å; P164-L166 VanDerWaalsContact C-N 3.29Å; P164-L166 PolarHBondContact O-N 3.17Å; P164-I167 HydrophobicContact CB-CG1 4.4Å; P164-I167 HydrophobicContact CG-CG1 4.34Å; P164-I167 PolarHBondContact O-N 3.41Å; P164-K168 PolarHBondContact O-N 3.38Å; P164-K168 VanDerWaalsContact O-N 3.16Å
165G97.8Very high94.9Very high13 Ų1345.6 Ų45.613%0.13423%0.226CC..Hα-helixtrans-56.8-40.4-178.300000113D38 I167 K168 L169D38-G165 VanDerWaalsContact CG-N 3.34Å; D38-G165 WeakPolarHBondContact OD1-CA 3.49Å; D38-G165 PolarHBondContact OD1-N 3.1Å; D38-G165 PolarHBondContact OD2-N 3.03Å; D38-G165 VanDerWaalsContact OD2-N 3.12Å; G165-I167 VanDerWaalsContact C-N 3.28Å; G165-I167 PolarHBondContact O-N 3.11Å; G165-K168 WeakPolarHBondContact O-CB 3.29Å; G165-K168 PolarHBondContact O-N 2.91Å; G165-K168 VanDerWaalsContact O-N 3.11Å; G165-L169 WeakPolarHBondContact O-CG 3.4Å; G165-L169 PolarHBondContact O-N 3.23Å
166L97.2Very high94.6Very high0 Ų047.6 Ų47.60%024%0.236CC..Hα-helixtrans-59.4-38176.4-75.8171.8000112.9M35 D38 L150 P164 L169 E170 L244 M250 W257M35-L166 HydrophobicContact CB-CD1 4.38Å; M35-L166 HydrophobicContact CG-CD1 3.91Å; D38-L166 HydrophobicContact CB-CD1 4.36Å; D38-L166 HydrophobicContact CB-CG 4.46Å; D38-L166 WeakPolarHBondContact OD2-CB 3.26Å; D38-L166 WeakPolarHBondContact OD2-CG 3.36Å; D38-L166 PolarHBondContact OD2-N 3.39Å; L150-L166 HydrophobicContact CD1-CD1 4.25Å; L150-L166 HydrophobicContact CD2-CB 4.12Å; L150-L166 HydrophobicContact CD2-CD1 4.21Å; P164-L166 VanDerWaalsContact C-N 3.29Å; P164-L166 PolarHBondContact O-N 3.17Å; L166-L169 PolarHBondContact O-N 3.01Å; L166-E170 WeakPolarHBondContact O-CB 3.31Å; L166-E170 PolarHBondContact O-N 3.31Å; L166-L244 HydrophobicContact CD1-CD2 4.35Å; L166-L244 HydrophobicContact CD2-CD1 4.2Å; L166-L244 HydrophobicContact CD2-CD2 3.77Å; L166-L244 HydrophobicContact CD2-CG 4.46Å; L166-L244 HydrophobicContact CG-CD1 4.1Å; L166-L244 HydrophobicContact CG-CD2 3.85Å; L166-M250 HydrophobicContact CD2-CE 4.18Å; L166-M250 HydrophobicContact CD2-CG 4.24Å; L166-W257 HydrophobicContact CD2-CB 4.19Å; L166-W257 HydrophobicContact CD2-CD2 3.75Å; L166-W257 HydrophobicContact CD2-CE3 4.18Å; L166-W257 HydrophobicContact CD2-CG 3.76Å; L166-W257 VanDerWaalsContact O-CZ2 3.28Å; L166-W257 WeakPolarHBondContact O-CZ2 3.47Å; L166-W257 PolarHBondContact O-NE1 3.38Å
167I96.9Very high94.3Very high1 Ų152.1 Ų52.11%0.00526%0.257CS..Hα-helixtrans-73-32.6177.8-57.9-48.9000111.1L150 R154 P163 P164 G165 E170 K171L150-I167 HydrophobicContact CB-CD1 4.26Å; L150-I167 HydrophobicContact CD2-CD1 4.08Å; L150-I167 HydrophobicContact CD2-CG1 4.12Å; R154-I167 HydrophobicContact CG-CD1 3.57Å; R154-I167 HydrophobicContact CG-CG1 4.08Å; R154-I167 HydrophobicContact CG-CG2 3.91Å; P163-I167 HydrophobicContact CB-CB 3.96Å; P163-I167 HydrophobicContact CB-CG2 3.83Å; P163-I167 HydrophobicContact CG-CG2 4.29Å; P164-I167 HydrophobicContact CB-CG1 4.4Å; P164-I167 HydrophobicContact CG-CG1 4.34Å; P164-I167 PolarHBondContact O-N 3.41Å; G165-I167 VanDerWaalsContact C-N 3.28Å; G165-I167 PolarHBondContact O-N 3.11Å; I167-E170 WeakPolarHBondContact O-CB 3.37Å; I167-E170 PolarHBondContact O-N 3.24Å; I167-K171 PolarHBondContact O-N 3.47Å; I167-K171 VanDerWaalsContact O-N 3.11Å
168K96.8Very high93.9Very high88 Ų8856.5 Ų56.538%0.38328%0.282SS..Hα-helixtrans-64.7-43.8172.1-59.2-179.3-157-176.60111.4E162 P163 P164 G165 E170 K171 E172E162-K168 WeakPolarHBondContact OE1-CE 3.22Å; E162-K168 IonicContact OE1-NZ 3.63Å; E162-K168 PolarHBondContact OE1-NZ 3.5Å; P163-K168 HydrophobicContact CG-CG 3.84Å; P163-K168 WeakPolarHBondContact O-CE 3.3Å; P164-K168 PolarHBondContact O-N 3.38Å; P164-K168 VanDerWaalsContact O-N 3.16Å; G165-K168 WeakPolarHBondContact O-CB 3.29Å; G165-K168 PolarHBondContact O-N 2.91Å; G165-K168 VanDerWaalsContact O-N 3.11Å; K168-E170 VanDerWaalsContact C-N 3.27Å; K168-E170 PolarHBondContact O-N 2.92Å; K168-K171 PolarHBondContact O-N 3.37Å; K168-E172 PolarHBondContact O-N 3.16Å
169L95.9Very high93.4Very high21 Ų2154 Ų5411%0.1128%0.282CS..Hα-helixtrans-63.3-35.3175.8-65.1176.6000111.6G165 L166 E172 I173 R242 L244 W257G165-L169 WeakPolarHBondContact O-CG 3.4Å; G165-L169 PolarHBondContact O-N 3.23Å; L166-L169 PolarHBondContact O-N 3.01Å; L169-E172 PolarHBondContact O-N 3.04Å; L169-I173 VanDerWaalsContact O-CG1 3.32Å; L169-I173 WeakPolarHBondContact O-CG1 3.45Å; L169-I173 PolarHBondContact O-N 2.73Å; L169-R242 HydrophobicContact CB-CG 4.41Å; L169-R242 HydrophobicContact CD1-CB 3.86Å; L169-R242 HydrophobicContact CD2-CB 3.98Å; L169-R242 HydrophobicContact CD2-CG 4.11Å; L169-R242 HydrophobicContact CG-CB 4.34Å; L169-L244 HydrophobicContact CD1-CB 4.17Å; L169-L244 HydrophobicContact CD1-CD1 4Å; L169-W257 HydrophobicContact CB-CH2 3.61Å; L169-W257 HydrophobicContact CB-CZ2 3.79Å
170E95.1Very high92.4Very high12 Ų1255 Ų556%0.05630%0.295CS..Hα-helixtrans-62.3-50176.8-174.9177.898.200110.3R154 L166 I167 K168 E172 I173 E174 W257R154-E170 WeakPolarHBondContact CD-OE1 3.48Å; R154-E170 IonicContact CZ-OE1 3.18Å; R154-E170 IonicContact CZ-OE2 3.17Å; R154-E170 IonicContact NE-OE1 3.53Å; R154-E170 PolarHBondContact NE-OE1 2.88Å; R154-E170 IonicContact NE-OE2 2.95Å; R154-E170 PolarHBondContact NE-OE2 3.39Å; R154-E170 IonicContact NH2-OE1 2.76Å; R154-E170 IonicContact NH2-OE2 2.68Å; R154-E170 PolarHBondContact NH2-OE2 3.48Å; L166-E170 WeakPolarHBondContact O-CB 3.31Å; L166-E170 PolarHBondContact O-N 3.31Å; I167-E170 WeakPolarHBondContact O-CB 3.37Å; I167-E170 PolarHBondContact O-N 3.24Å; K168-E170 VanDerWaalsContact C-N 3.27Å; K168-E170 PolarHBondContact O-N 2.92Å; E170-E172 VanDerWaalsContact C-N 3.34Å; E170-E172 PolarHBondContact O-N 3.23Å; E170-I173 WeakPolarHBondContact O-CB 3.42Å; E170-I173 PolarHBondContact O-N 3.35Å; E170-I173 VanDerWaalsContact O-N 3.14Å; E170-E174 WeakPolarHBondContact O-CG 3.29Å; E170-E174 PolarHBondContact O-N 3.09Å; E170-W257 HydrophobicContact CB-CZ2 3.96Å
171K93.3Very high91.3Very high91 Ų9154.8 Ų54.840%0.39629%0.286SS..Hα-helixtrans-61.9-38.4176.1-69.3-179.1177.9-174.50113.2A157 I167 K168 I173 E174 Q175A157-K171 VanDerWaalsContact CB-NZ 3.29Å; I167-K171 PolarHBondContact O-N 3.47Å; I167-K171 VanDerWaalsContact O-N 3.11Å; K168-K171 PolarHBondContact O-N 3.37Å; K171-I173 VanDerWaalsContact C-N 3.31Å; K171-I173 PolarHBondContact O-N 3.43Å; K171-E174 PolarHBondContact O-N 3.45Å; K171-Q175 WeakPolarHBondContact O-CB 3.27Å; K171-Q175 PolarHBondContact O-N 3.23Å
172E93.4Very high89.3Confident51 Ų5160.9 Ų60.924%0.23833%0.326CS..Hα-helixtrans-60.3-42.6174.6-177.7177.2-160.800110.7K168 L169 E170 E176 K196 R242K168-E172 PolarHBondContact O-N 3.16Å; L169-E172 PolarHBondContact O-N 3.04Å; E170-E172 VanDerWaalsContact C-N 3.34Å; E170-E172 PolarHBondContact O-N 3.23Å; E172-E176 WeakPolarHBondContact O-CG 3.31Å; E172-E176 PolarHBondContact O-N 3.24Å; E172-E176 VanDerWaalsContact O-N 3.12Å; E172-K196 IonicContact OE1-NZ 3.77Å; E172-K196 PolarHBondContact OE1-NZ 3.15Å; E172-K196 IonicContact OE2-NZ 3.05Å; E172-R242 IonicContact OE2-NE 3.72Å
173I93.4Very high87.2Confident3 Ų362.1 Ų62.12%0.01534%0.336CS..Hα-helixtrans-66.9-48.9177.2-68.8166.1000111.3L169 E170 K171 Q175 E176 E177 F240 R242 R252 W257L169-I173 VanDerWaalsContact O-CG1 3.32Å; L169-I173 WeakPolarHBondContact O-CG1 3.45Å; L169-I173 PolarHBondContact O-N 2.73Å; E170-I173 WeakPolarHBondContact O-CB 3.42Å; E170-I173 PolarHBondContact O-N 3.35Å; E170-I173 VanDerWaalsContact O-N 3.14Å; K171-I173 VanDerWaalsContact C-N 3.31Å; K171-I173 PolarHBondContact O-N 3.43Å; I173-Q175 PolarHBondContact O-N 3.3Å; I173-E176 WeakPolarHBondContact O-CB 3.06Å; I173-E176 PolarHBondContact O-N 2.96Å; I173-E177 HydrophobicContact CG2-CG 4.26Å; I173-E177 WeakPolarHBondContact O-CG 3.4Å; I173-E177 PolarHBondContact O-N 3.08Å; I173-F240 HydrophobicContact CB-CD1 4.38Å; I173-F240 HydrophobicContact CD1-CB 3.68Å; I173-F240 HydrophobicContact CD1-CG 4.45Å; I173-F240 HydrophobicContact CG1-CB 3.94Å; I173-F240 HydrophobicContact CG1-CD1 4.09Å; I173-F240 HydrophobicContact CG1-CG 4.25Å; I173-F240 HydrophobicContact CG2-CB 3.96Å; I173-F240 HydrophobicContact CG2-CD1 3.7Å; I173-F240 HydrophobicContact CG2-CD2 3.96Å; I173-F240 HydrophobicContact CG2-CE1 4.1Å; I173-F240 HydrophobicContact CG2-CE2 4.38Å; I173-F240 HydrophobicContact CG2-CG 3.61Å; I173-F240 HydrophobicContact CG2-CZ 4.46Å; I173-R242 HydrophobicContact CD1-CG 4.09Å; I173-R242 HydrophobicContact CG1-CG 4.41Å; I173-R252 HydrophobicContact CD1-CB 3.89Å; I173-R252 HydrophobicContact CD1-CG 4.37Å; I173-W257 HydrophobicContact CD1-CH2 3.48Å; I173-W257 VanDerWaalsContact CD1-CH2 3.48Å; I173-W257 HydrophobicContact CD1-CZ2 4.26Å; I173-W257 HydrophobicContact CD1-CZ3 4.18Å
174E92.3Very high84.9Confident93 Ų9367.3 Ų67.344%0.43537%0.37SS..Hα-helixtrans-57.3-39.3179.4-72.3173.4173.200111.8E170 K171 T178E170-E174 WeakPolarHBondContact O-CG 3.29Å; E170-E174 PolarHBondContact O-N 3.09Å; K171-E174 PolarHBondContact O-N 3.45Å; E174-T178 WeakPolarHBondContact O-CB 3.26Å; E174-T178 PolarHBondContact O-N 3.19Å; E174-T178 PolarHBondContact O-OG1 2.95Å
175Q91.1Very high82.4Confident131 Ų13172.4 Ų72.461%0.61241%0.406SS*.Hα-helixtrans-65.6-44.5175.4-172.6176.411.200111.7K171 I173 T178 L179K171-Q175 WeakPolarHBondContact O-CB 3.27Å; K171-Q175 PolarHBondContact O-N 3.23Å; I173-Q175 PolarHBondContact O-N 3.3Å; Q175-T178 PolarHBondContact O-N 2.68Å; Q175-L179 HydrophobicContact CG-CD1 4.29Å; Q175-L179 VanDerWaalsContact O-CG 3.27Å; Q175-L179 WeakPolarHBondContact O-CG 3.06Å; Q175-L179 PolarHBondContact O-N 3.05Å; Q175-L179 VanDerWaalsContact O-N 3.1Å
176E90Very high80.2Confident47 Ų4777.2 Ų77.222%0.2243%0.434CS..Hα-helixtrans-63.9-38.6176.8-77.1177.6-151.100113E172 I173 L179 S180 R231 F240 R242E172-E176 WeakPolarHBondContact O-CG 3.31Å; E172-E176 PolarHBondContact O-N 3.24Å; E172-E176 VanDerWaalsContact O-N 3.12Å; I173-E176 WeakPolarHBondContact O-CB 3.06Å; I173-E176 PolarHBondContact O-N 2.96Å; E176-L179 PolarHBondContact O-N 2.93Å; E176-S180 WeakPolarHBondContact O-CB 3.48Å; E176-S180 PolarHBondContact O-N 2.8Å; E176-S180 VanDerWaalsContact O-N 3.14Å; E176-S180 PolarHBondContact O-OG 2.97Å; E176-R231 VanDerWaalsContact C-NH2 3.31Å; E176-R231 PolarHBondContact O-NH2 2.98Å; E176-R231 IonicContact OE2-NE 2.81Å; E176-F240 HydrophobicContact CB-CE1 4.46Å; E176-R242 IonicContact OE1-CZ 3.71Å; E176-R242 IonicContact OE1-NH2 3.65Å; E176-R242 PolarHBondContact OE1-NH2 3.46Å; E176-R242 IonicContact OE2-CZ 3.4Å; E176-R242 IonicContact OE2-NH2 3.34Å; E176-R242 PolarHBondContact OE2-NH2 3.14Å
177E88.4Confident77.4Confident95 Ų9582.8 Ų82.844%0.44447%0.473SS..Hα-helixtrans-64.5-45.6176.5-75-179134.200110.9I173 L179 S180 A181 F240I173-E177 HydrophobicContact CG2-CG 4.26Å; I173-E177 WeakPolarHBondContact O-CG 3.4Å; I173-E177 PolarHBondContact O-N 3.08Å; E177-L179 VanDerWaalsContact C-N 3.29Å; E177-L179 PolarHBondContact O-N 3.06Å; E177-S180 PolarHBondContact O-N 3.32Å; E177-A181 PolarHBondContact O-N 3.33Å; E177-A181 VanDerWaalsContact O-N 3.15Å; E177-F240 HydrophobicContact CG-CE1 4.06Å; E177-F240 HydrophobicContact CG-CE2 3.66Å; E177-F240 HydrophobicContact CG-CZ 3.32Å; E177-F240 WeakPolarHBondContact OE1-CE2 3.49Å
178T86.7Confident75.1Confident107 Ų10789 Ų8966%0.65651%0.514SS*.Hα-helixtrans-59.5-40.5176.8-55.20000111.8E174 Q175 S180E174-T178 WeakPolarHBondContact O-CB 3.26Å; E174-T178 PolarHBondContact O-N 3.19Å; E174-T178 PolarHBondContact O-OG1 2.95Å; Q175-T178 PolarHBondContact O-N 2.68Å; T178-S180 VanDerWaalsContact C-N 3.29Å; T178-S180 PolarHBondContact O-N 3.36Å
179L82.8Confident72.4Confident133 Ų13389.2 Ų89.270%0.69653%0.526SS*.Hα-helixtrans-72.2-20.5177.6-68.4169.7000113.8Q175 E176 E177Q175-L179 HydrophobicContact CG-CD1 4.29Å; Q175-L179 VanDerWaalsContact O-CG 3.27Å; Q175-L179 WeakPolarHBondContact O-CG 3.06Å; Q175-L179 PolarHBondContact O-N 3.05Å; Q175-L179 VanDerWaalsContact O-N 3.1Å; E176-L179 PolarHBondContact O-N 2.93Å; E177-L179 VanDerWaalsContact C-N 3.29Å; E177-L179 PolarHBondContact O-N 3.06Å
180S70.9Confident70Confident66 Ų6693.9 Ų93.946%0.46256%0.558SS.*Hα-helixtrans-97.7-5.9-178.7-59.10000113.8E176 E177 T178 R231E176-S180 WeakPolarHBondContact O-CB 3.48Å; E176-S180 PolarHBondContact O-N 2.8Å; E176-S180 VanDerWaalsContact O-N 3.14Å; E176-S180 PolarHBondContact O-OG 2.97Å; E177-S180 PolarHBondContact O-N 3.32Å; T178-S180 VanDerWaalsContact C-N 3.29Å; T178-S180 PolarHBondContact O-N 3.36Å; S180-R231 VanDerWaalsContact OG-CZ 3.3Å; S180-R231 PolarHBondContact OG-NH1 2.89Å; S180-R231 PolarHBondContact OG-NH2 3.19Å
181A67.7Low67.2Low54 Ų5499.6 Ų99.645%0.44659%0.593SS.*SBendtrans-66.4141.717300000110.1E177 L183E177-A181 PolarHBondContact O-N 3.33Å; E177-A181 VanDerWaalsContact O-N 3.15Å; A181-L183 PolarHBondContact O-N 3.36Å
182P54.8Low64.8Low133 Ų133104.4 Ų104.486%0.86461%0.614SS**  trans-68.4103.6-178.8-3.717.2000109.7
183L51.2Low62.4Low151 Ų151106.9 Ų106.979%0.79164%0.637SS**  trans-69.2145.9159.3-79.9151000108.6A181 S185A181-L183 PolarHBondContact O-N 3.36Å; L183-S185 VanDerWaalsContact C-N 3.25Å; L183-S185 PolarHBondContact O-N 2.9Å
184P48.4Very low59.8Low122 Ų122113 Ų11379%0.79268%0.678SS**SBendtrans-72.57717330.2-32000111.3
185S45.8Very low57.2Low109 Ų109112.1 Ų112.176%0.76269%0.693SS**  trans53167.3156.851.40000120.8L183L183-S185 VanDerWaalsContact C-N 3.25Å; L183-S185 PolarHBondContact O-N 2.9Å
186P51.8Low55.1Low114 Ų114110.8 Ų110.874%0.7469%0.685SS**  cis-121.1146.1-45.635.4-21.6000111.5
187S39.6Very low53.2Low116 Ų116117.9 Ų117.981%0.81172%0.715SS**  trans-176.5124146.6-82.40000110
188P47.7Very low51.8Low133 Ų133117.4 Ų117.486%0.86472%0.722SS**  trans-92.1111.3175.933.3-25.1000109.5
189S40.4Very low51Low91 Ų91114.9 Ų114.964%0.63671%0.707SS**  trans-112.2119.5157.757.40000108.7T191S189-T191 PolarHBondContact O-N 3.5Å
190P45.2Very low50.8Low120 Ų120108.9 Ų108.978%0.77968%0.677SS**  trans-76.190.7174.929.9-30.3000109K192P190-K192 VanDerWaalsContact C-N 3.26Å; P190-K192 PolarHBondContact O-N 3.24Å
191T35.7Very low51.6Low131 Ų131112.2 Ų112.280%0.80468%0.683SS**  trans-72.786.8166.713.90000108.7S189 S193S189-T191 PolarHBondContact O-N 3.5Å; T191-S193 PolarHBondContact O-N 2.95Å; T191-S193 VanDerWaalsContact O-N 3.09Å
192K43Very low52.7Low192 Ų192114.4 Ų114.484%0.83569%0.687SS**  trans-64.2103.5162.1-75.2179.4177.6172.90107.7P190 P194P190-K192 VanDerWaalsContact C-N 3.26Å; P190-K192 PolarHBondContact O-N 3.24Å; K192-P194 VanDerWaalsContact O-CD 3.28Å; K192-P194 WeakPolarHBondContact O-CD 3.44Å
193S42.7Very low54.6Low103 Ų103108.5 Ų108.572%0.7265%0.648SS**  trans-65117165.853.40000109.4T191T191-S193 PolarHBondContact O-N 2.95Å; T191-S193 VanDerWaalsContact O-N 3.09Å
194P40.2Very low56.6Low133 Ų133102.7 Ų102.786%0.86462%0.617SS**SBendtrans-85.6115.9176.430.6-22.9000108.7K192K192-P194 VanDerWaalsContact O-CD 3.28Å; K192-P194 WeakPolarHBondContact O-CD 3.44Å
195G37.9Very low58.8Low73 Ų73100.9 Ų100.975%0.75360%0.601SS**SBendtrans157.2-22.9165.200000119.5
196K46.8Very low61.1Low103 Ų10396.9 Ų96.945%0.44858%0.575SS.*  trans-109.622.3-166.8-93.3179.7174.8175.90116.6E172 S198 G200E172-K196 IonicContact OE1-NZ 3.77Å; E172-K196 PolarHBondContact OE1-NZ 3.15Å; E172-K196 IonicContact OE2-NZ 3.05Å; K196-S198 PolarHBondContact O-N 3.3Å; K196-G200 PolarHBondContact O-N 2.78Å
197K49.5Very low63.2Low197 Ų19791.6 Ų91.686%0.85754%0.541SS*.Hα-helixtrans-63.3-35.3-174.5-72.9-174.9179.8178.90114.3K201K197-K201 PolarHBondContact O-N 3.29Å
198S59.6Low65.8Low84 Ų8491.8 Ų91.859%0.58753%0.527SS*.Hα-helixtrans-73.4-45.9-176.855.60000112.6K196 G200 K201 L202K196-S198 PolarHBondContact O-N 3.3Å; S198-G200 VanDerWaalsContact C-N 3.33Å; S198-G200 PolarHBondContact O-N 2.83Å; S198-K201 PolarHBondContact O-N 3.48Å; S198-L202 PolarHBondContact O-N 3.32Å; S198-L202 VanDerWaalsContact O-N 3.11Å
199T68.3Low67.9Low55 Ų5590.9 Ų90.934%0.33751%0.511SS..Hα-helixtrans-66.3-36179.3-42.60000112L202 L203T199-L202 PolarHBondContact O-N 2.78Å; T199-L203 PolarHBondContact O-N 3.42Å
200G79.6Confident70.4Confident6 Ų688.3 Ų88.36%0.06249%0.489CS..Hα-helixtrans-60-46.7174.300000112K196 S198 L202 L203 D204K196-G200 PolarHBondContact O-N 2.78Å; S198-G200 VanDerWaalsContact C-N 3.33Å; S198-G200 PolarHBondContact O-N 2.83Å; G200-L202 PolarHBondContact O-N 2.83Å; G200-L203 PolarHBondContact O-N 3.43Å; G200-D204 VanDerWaalsContact O-CG 3.22Å; G200-D204 PolarHBondContact O-N 3.49Å
201K87.2Confident72.5Confident137 Ų13783.9 Ų83.960%0.59646%0.462SS*.Hα-helixtrans-62.1-44177.4-169.3-177175.7-170.10112.3K197 S198 L203 D204 D205K197-K201 PolarHBondContact O-N 3.29Å; S198-K201 PolarHBondContact O-N 3.48Å; K201-L203 VanDerWaalsContact C-N 3.3Å; K201-L203 PolarHBondContact O-N 2.97Å; K201-D204 PolarHBondContact O-N 2.8Å; K201-D205 WeakPolarHBondContact O-CB 3.47Å; K201-D205 VanDerWaalsContact O-CG 3.24Å; K201-D205 PolarHBondContact O-N 2.68Å
202L91.4Very high75Confident100 Ų10082.8 Ų82.852%0.52445%0.447SS..Hα-helixtrans-59.2-40.6176-71.9173.2000112.4S198 T199 G200 A206S198-L202 PolarHBondContact O-N 3.32Å; S198-L202 VanDerWaalsContact O-N 3.11Å; T199-L202 PolarHBondContact O-N 2.78Å; G200-L202 PolarHBondContact O-N 2.83Å; L202-A206 VanDerWaalsContact O-CB 3.31Å; L202-A206 WeakPolarHBondContact O-CB 3.34Å; L202-A206 PolarHBondContact O-N 3.4Å
203L93.9Very high77Confident9 Ų977.2 Ų77.25%0.04743%0.426CS..Hα-helixtrans-64.1-47.6175.5176.565.2000111.4T199 G200 K201 D205 A206 V207 Y232 I241 M243 V249T199-L203 PolarHBondContact O-N 3.42Å; G200-L203 PolarHBondContact O-N 3.43Å; K201-L203 VanDerWaalsContact C-N 3.3Å; K201-L203 PolarHBondContact O-N 2.97Å; L203-D205 PolarHBondContact O-N 2.9Å; L203-A206 PolarHBondContact O-N 2.81Å; L203-V207 HydrophobicContact CD1-CG2 4.01Å; L203-V207 HydrophobicContact CG-CG2 4.31Å; L203-V207 WeakPolarHBondContact O-CB 3.37Å; L203-V207 VanDerWaalsContact O-CG2 3.3Å; L203-V207 WeakPolarHBondContact O-CG2 3.42Å; L203-V207 PolarHBondContact O-N 3.14Å; L203-Y232 HydrophobicContact CD2-CE2 4.36Å; L203-I241 HydrophobicContact CD1-CG2 4.11Å; L203-M243 HydrophobicContact CD1-CB 4.26Å; L203-M243 HydrophobicContact CD1-CE 4.39Å; L203-V249 HydrophobicContact CD1-CG1 4.05Å
204D94.1Very high78.7Confident28 Ų2875.3 Ų75.315%0.1541%0.412CS..Hα-helixtrans-60.1-45.9179.8-64.5-44.7000112G200 K201 A206 V207 K208 R226 Y232G200-D204 VanDerWaalsContact O-CG 3.22Å; G200-D204 PolarHBondContact O-N 3.49Å; K201-D204 PolarHBondContact O-N 2.8Å; D204-A206 VanDerWaalsContact C-N 3.32Å; D204-A206 PolarHBondContact O-N 2.88Å; D204-V207 PolarHBondContact O-N 2.93Å; D204-K208 WeakPolarHBondContact O-CB 3.39Å; D204-K208 PolarHBondContact O-N 2.59Å; D204-R226 VanDerWaalsContact CG-NH1 3.32Å; D204-R226 VanDerWaalsContact OD1-CD 3.28Å; D204-R226 WeakPolarHBondContact OD1-CD 3.5Å; D204-R226 IonicContact OD1-CZ 3.94Å; D204-R226 IonicContact OD1-NE 2.73Å; D204-R226 PolarHBondContact OD1-NE 3.39Å; D204-R226 IonicContact OD1-NH1 3.14Å; D204-R226 IonicContact OD2-CZ 3.73Å; D204-R226 IonicContact OD2-NE 3.99Å; D204-R226 IonicContact OD2-NH1 3.08Å; D204-R226 PolarHBondContact OD2-NH1 3.31Å; D204-R226 IonicContact OD2-NH2 2.71Å; D204-R226 PolarHBondContact OD2-NH2 3.5Å; D204-Y232 PolarHBondContact OD1-OH 2.87Å
205D94.3Very high80.5Confident84 Ų8474.3 Ų74.345%0.44941%0.405SS..Hα-helixtrans-61.5-42.2178.2-69.1-21.5000110.5K201 L203 H209K201-D205 WeakPolarHBondContact O-CB 3.47Å; K201-D205 VanDerWaalsContact O-CG 3.24Å; K201-D205 PolarHBondContact O-N 2.68Å; L203-D205 PolarHBondContact O-N 2.9Å; D205-H209 WeakPolarHBondContact O-CB 3.35Å; D205-H209 PolarHBondContact O-N 3.23Å
206A94.8Very high82.4Confident25 Ų2572.7 Ų72.721%0.20738%0.382CS..Hα-helixtrans-68.8-42.4177.600000112.9L202 L203 D204 K208 H209 I210 M243 V249L202-A206 VanDerWaalsContact O-CB 3.31Å; L202-A206 WeakPolarHBondContact O-CB 3.34Å; L202-A206 PolarHBondContact O-N 3.4Å; L203-A206 PolarHBondContact O-N 2.81Å; D204-A206 VanDerWaalsContact C-N 3.32Å; D204-A206 PolarHBondContact O-N 2.88Å; A206-K208 VanDerWaalsContact C-N 3.33Å; A206-H209 PolarHBondContact O-N 3.43Å; A206-I210 WeakPolarHBondContact O-CB 3.35Å; A206-I210 VanDerWaalsContact O-CG1 3.27Å; A206-I210 WeakPolarHBondContact O-CG1 3.46Å; A206-I210 PolarHBondContact O-N 3.44Å; A206-M243 HydrophobicContact CB-CE 3.74Å; A206-V249 HydrophobicContact CB-CG2 3.65Å
207V95.4Very high83.9Confident4 Ų477.9 Ų77.92%0.02441%0.405CS..Hα-helixtrans-60.9-45.6175.7167.90000110.2L203 D204 I210 S211 V224 Y232 I241 V249 F260L203-V207 HydrophobicContact CD1-CG2 4.01Å; L203-V207 HydrophobicContact CG-CG2 4.31Å; L203-V207 WeakPolarHBondContact O-CB 3.37Å; L203-V207 VanDerWaalsContact O-CG2 3.3Å; L203-V207 WeakPolarHBondContact O-CG2 3.42Å; L203-V207 PolarHBondContact O-N 3.14Å; D204-V207 PolarHBondContact O-N 2.93Å; V207-I210 PolarHBondContact O-N 3.36Å; V207-S211 WeakPolarHBondContact O-CB 3.37Å; V207-S211 PolarHBondContact O-N 3.27Å; V207-S211 PolarHBondContact O-OG 3.39Å; V207-V224 HydrophobicContact CG1-CG1 3.89Å; V207-Y232 HydrophobicContact CB-CE1 4.24Å; V207-Y232 HydrophobicContact CG1-CD1 3.96Å; V207-Y232 HydrophobicContact CG1-CE1 3.81Å; V207-Y232 HydrophobicContact CG2-CE1 4.34Å; V207-Y232 HydrophobicContact CG2-CE2 4.39Å; V207-I241 HydrophobicContact CG2-CD1 4.35Å; V207-I241 HydrophobicContact CG2-CG2 3.96Å; V207-V249 HydrophobicContact CG2-CG1 3.84Å; V207-F260 HydrophobicContact CB-CE1 4.4Å; V207-F260 HydrophobicContact CG1-CD1 4.4Å; V207-F260 HydrophobicContact CG1-CE1 3.74Å; V207-F260 HydrophobicContact CG1-CZ 4.09Å
208K93.3Very high85.3Confident119 Ų11970.4 Ų70.452%0.51738%0.377SS..Hα-helixtrans-58.7-52.2176.2-175.1-179.5177.4-174.80110.9D204 A206 I210 S211 E212D204-K208 WeakPolarHBondContact O-CB 3.39Å; D204-K208 PolarHBondContact O-N 2.59Å; A206-K208 VanDerWaalsContact C-N 3.33Å; K208-I210 PolarHBondContact O-N 3.01Å; K208-S211 PolarHBondContact O-N 3.48Å; K208-S211 VanDerWaalsContact O-N 3.15Å; K208-S211 PolarHBondContact O-OG 3.25Å; K208-E212 WeakPolarHBondContact CE-OE1 3.44Å; K208-E212 WeakPolarHBondContact CE-OE2 3.22Å; K208-E212 HydrophobicContact CG-CG 4.46Å; K208-E212 WeakPolarHBondContact CG-OE1 3.47Å; K208-E212 WeakPolarHBondContact O-CG 3.3Å; K208-E212 PolarHBondContact O-N 2.97Å
209H93.1Very high86.2Confident115 Ų11572.7 Ų72.753%0.53239%0.39SS..Hα-helixtrans-55.1-48.5178.1-179.9-74.4000112.2D205 A206 S211 E212 D213D205-H209 WeakPolarHBondContact O-CB 3.35Å; D205-H209 PolarHBondContact O-N 3.23Å; A206-H209 PolarHBondContact O-N 3.43Å; H209-S211 VanDerWaalsContact C-N 3.32Å; H209-S211 PolarHBondContact O-N 3.04Å; H209-E212 PolarHBondContact O-N 3.04Å; H209-D213 IonicContact CE1-OD2 3.83Å; H209-D213 VanDerWaalsContact O-CB 3.31Å; H209-D213 WeakPolarHBondContact O-CB 3.28Å; H209-D213 PolarHBondContact O-N 3Å
210I92.3Very high86.6Confident36 Ų3676.9 Ų76.919%0.18541%0.41CS..Hα-helixtrans-63.5-38.9179.7-68.1166.8000111.4A206 V207 K208 E212 V249 F260 A261 L264 R271A206-I210 WeakPolarHBondContact O-CB 3.35Å; A206-I210 VanDerWaalsContact O-CG1 3.27Å; A206-I210 WeakPolarHBondContact O-CG1 3.46Å; A206-I210 PolarHBondContact O-N 3.44Å; V207-I210 PolarHBondContact O-N 3.36Å; K208-I210 PolarHBondContact O-N 3.01Å; I210-E212 VanDerWaalsContact C-N 3.33Å; I210-V249 HydrophobicContact CD1-CB 3.72Å; I210-V249 HydrophobicContact CD1-CG1 4.34Å; I210-V249 HydrophobicContact CD1-CG2 3.61Å; I210-F260 HydrophobicContact CB-CD1 3.91Å; I210-F260 HydrophobicContact CB-CE1 4.25Å; I210-F260 HydrophobicContact CD1-CD1 4.29Å; I210-F260 HydrophobicContact CG2-CD1 3.55Å; I210-F260 HydrophobicContact CG2-CE1 4.02Å; I210-F260 HydrophobicContact CG2-CG 4.43Å; I210-A261 HydrophobicContact CG2-CB 3.94Å; I210-L264 HydrophobicContact CG2-CD1 4.06Å; I210-R271 PolarHBondContact O-NH2 2.08Å
211S90.4Very high86.6Confident28 Ų2883.5 Ų83.520%0.19644%0.437CS..Hα-helixtrans-68-32.9179.571.90000113.1V207 K208 H209 R271V207-S211 WeakPolarHBondContact O-CB 3.37Å; V207-S211 PolarHBondContact O-N 3.27Å; V207-S211 PolarHBondContact O-OG 3.39Å; K208-S211 PolarHBondContact O-N 3.48Å; K208-S211 VanDerWaalsContact O-N 3.15Å; K208-S211 PolarHBondContact O-OG 3.25Å; H209-S211 VanDerWaalsContact C-N 3.32Å; H209-S211 PolarHBondContact O-N 3.04Å; S211-R271 PolarHBondContact O-NH2 3.38Å
212E87.6Confident86.5Confident107 Ų10779.3 Ų79.350%0.542%0.419SS..Hα-helixtrans-92.2-14.8-175.7-67.3174.7175.200113.4K208 H209 I210 P214 P215K208-E212 WeakPolarHBondContact CE-OE1 3.44Å; K208-E212 WeakPolarHBondContact CE-OE2 3.22Å; K208-E212 HydrophobicContact CG-CG 4.46Å; K208-E212 WeakPolarHBondContact CG-OE1 3.47Å; K208-E212 WeakPolarHBondContact O-CG 3.3Å; K208-E212 PolarHBondContact O-N 2.97Å; H209-E212 PolarHBondContact O-N 3.04Å; I210-E212 VanDerWaalsContact C-N 3.33Å; E212-P214 CarbonylContact O-C 3.09Å; E212-P215 WeakPolarHBondContact O-CA 3.49Å; E212-P215 VanDerWaalsContact O-N 3.07Å
213D84.1Confident86.3Confident75 Ų7577.5 Ų77.540%0.40141%0.414SS..SBendtrans-106.2121.3-179.6-176.331.6000112.7H209 R271H209-D213 IonicContact CE1-OD2 3.83Å; H209-D213 VanDerWaalsContact O-CB 3.31Å; H209-D213 WeakPolarHBondContact O-CB 3.28Å; H209-D213 PolarHBondContact O-N 3Å; D213-R271 VanDerWaalsContact O-CZ 3.29Å; D213-R271 PolarHBondContact O-NH1 3.44Å; D213-R271 PolarHBondContact O-NH2 2.81Å
214P78.9Confident86.3Confident64 Ų6479 Ų7942%0.41642%0.423SS..SBendcis-75.7151.1-2.631.6-34.8000112.4E212 C216E212-P214 CarbonylContact O-C 3.09Å; P214-C216 PolarHBondContact O-N 3.06Å; P214-C216 VanDerWaalsContact O-N 3.15Å
215P78.2Confident86.2Confident111 Ų11182 Ų8272%0.72144%0.436SS*.PPolyproline II helixtrans-61.7120.1-177.823.2-32.8000110.9E212E212-P215 WeakPolarHBondContact O-CA 3.49Å; E212-P215 VanDerWaalsContact O-N 3.07Å
216C77.2Confident86.3Confident39 Ų3983.9 Ų83.926%0.26444%0.437SS..PPolyproline II helixtrans-88.9136.5176.866.70000111.3P214 C218P214-C216 PolarHBondContact O-N 3.06Å; P214-C216 VanDerWaalsContact O-N 3.15Å; C216-C218 VanDerWaalsContact C-N 3.34Å
217K78.9Confident86.2Confident213 Ų21386 Ų8693%0.92644%0.444SS*.  trans-96.813.9172.2-59.4-176.8-178.7-177.80112.3
218C79.9Confident86Confident40 Ų4088.1 Ų88.127%0.2746%0.46SS..  trans-63.7136.5179.2-60.70000109.2C216 N220 C270C216-C218 VanDerWaalsContact C-N 3.34Å; C218-N220 VanDerWaalsContact C-N 3.29Å; C218-N220 PolarHBondContact O-N 2.65Å; C218-C270 WeakPolarHBondContact CB-SG 3.43Å; C218-C270 WeakPolarHBondContact SG-CB 3.31Å; C218-C270 CovalentContact SG-SG 2.08Å; C218-C270 PolarHBondContact SG-SG 3.47Å
219P77.3Confident85.9Confident132 Ų13286.4 Ų86.486%0.85745%0.454SS*.SBendtrans-64-36.2178.824-32.4000111.9
220N77.3Confident85.9Confident143 Ų14381 Ų8177%0.76543%0.429SS*.SBendtrans-108.5112.9169.7-67.8-26.6000108.6C218C218-N220 VanDerWaalsContact C-N 3.29Å; C218-N220 PolarHBondContact O-N 2.65Å
221K80.3Confident86Confident144 Ų14481.5 Ų81.563%0.62643%0.428SS*.PPolyproline II helixtrans-82.9146.5176-60.9-172.2177.7178.30110C223K221-C223 PolarHBondContact O-N 3.43Å
222F84.5Confident86.3Confident50 Ų5080.4 Ų80.422%0.21942%0.42CS..PPolyproline II helixtrans-61.9121.9170.5-170.5-112.6000109.4V224 V234 L264 H267 D268F222-V224 HydrophobicContact CD1-CG2 4.48Å; F222-V224 PolarHBondContact O-N 2.6Å; F222-V234 HydrophobicContact CD1-CG1 4.44Å; F222-V234 HydrophobicContact CE1-CG1 3.49Å; F222-V234 VanDerWaalsContact CE1-CG1 3.49Å; F222-V234 HydrophobicContact CZ-CG1 4.07Å; F222-L264 HydrophobicContact CD1-CD2 3.85Å; F222-L264 HydrophobicContact CE1-CD2 3.69Å; F222-H267 WeakPolarHBondContact CE2-O 3.42Å; F222-H267 HydrophobicContact CZ-CB 4.2Å; F222-D268 HydrophobicContact CB-CB 4.12Å; F222-D268 WeakPolarHBondContact CB-OD1 3.22Å; F222-D268 HydrophobicContact CD1-CB 3.84Å; F222-D268 HydrophobicContact CE1-CB 4.35Å; F222-D268 HydrophobicContact CG-CB 3.92Å
223C86.9Confident86.6Confident61 Ų6179.8 Ų79.841%0.41241%0.413SS..PPolyproline II helixtrans-73.1126.8-170.7-1740000110.8K221 V234 G235K221-C223 PolarHBondContact O-N 3.43Å; C223-V234 CarbonylContact O-C 3.57Å; C223-V234 WeakPolarHBondContact O-CA 3.42Å; C223-G235 PolarHBondContact O-N 3.45Å
224V93.5Very high87.1Confident42 Ų4276.3 Ų76.326%0.25539%0.394SS..EExtended strand (participates in β ladder)trans-129.7104.7169.6-179.10000107.2V207 F222 R233 V234 F260 L264V207-V224 HydrophobicContact CG1-CG1 3.89Å; F222-V224 HydrophobicContact CD1-CG2 4.48Å; F222-V224 PolarHBondContact O-N 2.6Å; V224-R233 CarbonylContact C-O 3.47Å; V224-R233 WeakPolarHBondContact CA-O 3.4Å; V224-V234 HydrophobicContact CG1-CG2 4.37Å; V224-V234 HydrophobicContact CG2-CG1 4.36Å; V224-F260 HydrophobicContact CG1-CZ 3.87Å; V224-F260 HydrophobicContact CG2-CZ 4.16Å; V224-L264 HydrophobicContact CG2-CD2 4.36Å
225E93.3Very high87.6Confident90 Ų9074.1 Ų74.142%0.42138%0.383SS..EExtended strand (participates in β ladder)trans-124.2130.7-174.6-175.6-170.8179.800109.9Y232 R233E225-Y232 CarbonylContact O-C 3.52Å; E225-Y232 VanDerWaalsContact O-CA 3.23Å; E225-Y232 WeakPolarHBondContact O-CA 3.5Å; E225-R233 HydrophobicContact CB-CB 4.33Å; E225-R233 PolarHBondContact N-O 3.36Å; E225-R233 PolarHBondContact O-N 3Å; E225-R233 IonicContact OE1-NH1 2.77Å; E225-R233 IonicContact OE2-CZ 2.69Å; E225-R233 IonicContact OE2-NH1 3.9Å; E225-R233 PolarHBondContact OE2-NH1 3.18Å
226R94.9Very high88.2Confident123 Ų12378.3 Ų78.346%0.46439%0.393SS..EExtended strand (participates in β ladder)trans-76.6125.9174.4-177.5-169.8177.6176.76.9110D204 S228 Y232D204-R226 VanDerWaalsContact CG-NH1 3.32Å; D204-R226 VanDerWaalsContact OD1-CD 3.28Å; D204-R226 WeakPolarHBondContact OD1-CD 3.5Å; D204-R226 IonicContact OD1-CZ 3.94Å; D204-R226 IonicContact OD1-NE 2.73Å; D204-R226 PolarHBondContact OD1-NE 3.39Å; D204-R226 IonicContact OD1-NH1 3.14Å; D204-R226 IonicContact OD2-CZ 3.73Å; D204-R226 IonicContact OD2-NE 3.99Å; D204-R226 IonicContact OD2-NH1 3.08Å; D204-R226 PolarHBondContact OD2-NH1 3.31Å; D204-R226 IonicContact OD2-NH2 2.71Å; D204-R226 PolarHBondContact OD2-NH2 3.5Å; R226-S228 WeakPolarHBondContact CG-O 3.5Å; R226-S228 PolarHBondContact NE-O 3.28Å; R226-Y232 HydrophobicContact CB-CD1 3.85Å; R226-Y232 HydrophobicContact CB-CE1 3.7Å; R226-Y232 HydrophobicContact CG-CD1 4.25Å; R226-Y232 HydrophobicContact CG-CE1 3.83Å
227L92.9Very high88.9Confident69 Ų6982.1 Ų82.136%0.36141%0.405SS..EExtended strand (participates in β ladder)trans-93.6-48.9173.8-57.3178.6000111.2R231 R233 I238L227-R231 HydrophobicContact CB-CB 4.4Å; L227-R231 PolarHBondContact N-O 3.04Å; L227-R233 HydrophobicContact CD1-CB 4.22Å; L227-R233 HydrophobicContact CD2-CB 4.12Å; L227-R233 HydrophobicContact CG-CB 4.21Å; L227-I238 HydrophobicContact CD1-CD1 3.99Å; L227-I238 HydrophobicContact CD1-CG1 3.98Å; L227-I238 HydrophobicContact CD1-CG2 3.96Å
228S91.8Very high89.5Confident49 Ų4976.7 Ų76.734%0.34339%0.385SS..EExtended strand (participates in β ladder)trans-151-177.6176680000109.5R226 G230 R231R226-S228 WeakPolarHBondContact CG-O 3.5Å; R226-S228 PolarHBondContact NE-O 3.28Å; S228-G230 PolarHBondContact O-N 3.46Å; S228-G230 VanDerWaalsContact O-N 3.1Å; S228-R231 PolarHBondContact N-O 2.93Å; S228-R231 PolarHBondContact O-N 3.11Å; S228-R231 WeakPolarHBondContact OG-CB 3.45Å; S228-R231 WeakPolarHBondContact OG-CD 3.4Å; S228-R231 WeakPolarHBondContact OG-CG 3.5Å
229Q90.9Very high90.2Very high84 Ų8475.4 Ų75.439%0.39338%0.376SS..THydrogen-bonded Turntrans-55.6122.3173.3180170.3-18.100110.1R231Q229-R231 PolarHBondContact O-N 3.49Å; Q229-R231 VanDerWaalsContact O-N 3.16Å
230G92.6Very high91.1Very high1 Ų170.2 Ų70.21%0.0134%0.34CS..THydrogen-bonded Turntrans69.85.3177.500000115.8S228 F240 I241 R242S228-G230 PolarHBondContact O-N 3.46Å; S228-G230 VanDerWaalsContact O-N 3.1Å; G230-F240 CarbonylContact O-C 3.54Å; G230-F240 WeakPolarHBondContact O-CA 3.37Å; G230-I241 VanDerWaalsContact CA-O 3.29Å; G230-I241 WeakPolarHBondContact CA-O 3.41Å; G230-I241 PolarHBondContact O-N 3.35Å; G230-R242 VanDerWaalsContact CA-NH1 3.28Å; G230-R242 PolarHBondContact O-NH1 3.41Å
231R94.9Very high92Very high47 Ų4763.4 Ų63.418%0.17730%0.304CS..EExtended strand (participates in β ladder)trans-119.9124.6174.9-61.9-174.1-178179.8-9.5110.2E176 S180 L227 S228 Q229 L239 F240E176-R231 VanDerWaalsContact C-NH2 3.31Å; E176-R231 PolarHBondContact O-NH2 2.98Å; E176-R231 IonicContact OE2-NE 2.81Å; S180-R231 VanDerWaalsContact OG-CZ 3.3Å; S180-R231 PolarHBondContact OG-NH1 2.89Å; S180-R231 PolarHBondContact OG-NH2 3.19Å; L227-R231 HydrophobicContact CB-CB 4.4Å; L227-R231 PolarHBondContact N-O 3.04Å; S228-R231 PolarHBondContact N-O 2.93Å; S228-R231 PolarHBondContact O-N 3.11Å; S228-R231 WeakPolarHBondContact OG-CB 3.45Å; S228-R231 WeakPolarHBondContact OG-CD 3.4Å; S228-R231 WeakPolarHBondContact OG-CG 3.5Å; Q229-R231 PolarHBondContact O-N 3.49Å; Q229-R231 VanDerWaalsContact O-N 3.16Å; R231-L239 WeakPolarHBondContact CA-O 3.47Å; R231-F240 HydrophobicContact CG-CD1 3.94Å; R231-F240 HydrophobicContact CG-CE1 3.75Å; R231-F240 HydrophobicContact CG-CZ 4.33Å
232Y95.7Very high92.7Very high5 Ų557.2 Ų57.22%0.0228%0.276CS..EExtended strand (participates in β ladder)trans-131.6139.1-176.2-60.7-100.8000110.1L203 D204 V207 E225 R226 I238 L239 I241L203-Y232 HydrophobicContact CD2-CE2 4.36Å; D204-Y232 PolarHBondContact OD1-OH 2.87Å; V207-Y232 HydrophobicContact CB-CE1 4.24Å; V207-Y232 HydrophobicContact CG1-CD1 3.96Å; V207-Y232 HydrophobicContact CG1-CE1 3.81Å; V207-Y232 HydrophobicContact CG2-CE1 4.34Å; V207-Y232 HydrophobicContact CG2-CE2 4.39Å; E225-Y232 CarbonylContact O-C 3.52Å; E225-Y232 VanDerWaalsContact O-CA 3.23Å; E225-Y232 WeakPolarHBondContact O-CA 3.5Å; R226-Y232 HydrophobicContact CB-CD1 3.85Å; R226-Y232 HydrophobicContact CB-CE1 3.7Å; R226-Y232 HydrophobicContact CG-CD1 4.25Å; R226-Y232 HydrophobicContact CG-CE1 3.83Å; Y232-I238 CarbonylContact O-C 3.57Å; Y232-I238 WeakPolarHBondContact O-CA 3.35Å; Y232-L239 PolarHBondContact N-O 2.82Å; Y232-L239 PolarHBondContact O-N 3.22Å; Y232-I241 HydrophobicContact CD2-CB 3.73Å; Y232-I241 HydrophobicContact CD2-CD1 3.48Å; Y232-I241 VanDerWaalsContact CD2-CD1 3.48Å; Y232-I241 HydrophobicContact CD2-CG1 3.56Å; Y232-I241 HydrophobicContact CE2-CB 3.83Å; Y232-I241 HydrophobicContact CE2-CD1 4.17Å; Y232-I241 HydrophobicContact CE2-CG1 4.19Å; Y232-I241 HydrophobicContact CG-CD1 3.73Å; Y232-I241 HydrophobicContact CG-CG1 4.26Å
233R95.6Very high93.3Very high94 Ų9456.3 Ų56.336%0.35527%0.273SS..EExtended strand (participates in β ladder)trans-82.8118.2163.1177.9-179.2-65.9123.30107.5V224 E225 L227 G235 K237V224-R233 CarbonylContact C-O 3.47Å; V224-R233 WeakPolarHBondContact CA-O 3.4Å; E225-R233 HydrophobicContact CB-CB 4.33Å; E225-R233 PolarHBondContact N-O 3.36Å; E225-R233 PolarHBondContact O-N 3Å; E225-R233 IonicContact OE1-NH1 2.77Å; E225-R233 IonicContact OE2-CZ 2.69Å; E225-R233 IonicContact OE2-NH1 3.9Å; E225-R233 PolarHBondContact OE2-NH1 3.18Å; L227-R233 HydrophobicContact CD1-CB 4.22Å; L227-R233 HydrophobicContact CD2-CB 4.12Å; L227-R233 HydrophobicContact CG-CB 4.21Å; R233-G235 WeakPolarHBondContact CG-O 3.16Å; R233-K237 CarbonylContact C-O 3.56Å; R233-K237 WeakPolarHBondContact CA-O 3.43Å
234V93.8Very high93.7Very high1 Ų153.6 Ų53.61%0.00625%0.254CS..EExtended strand (participates in β ladder)trans-125.9103.1-177.2-178.60000107.8F222 C223 V224 E236 K237 L239 I241 F260 Y263 L264F222-V234 HydrophobicContact CD1-CG1 4.44Å; F222-V234 HydrophobicContact CE1-CG1 3.49Å; F222-V234 VanDerWaalsContact CE1-CG1 3.49Å; F222-V234 HydrophobicContact CZ-CG1 4.07Å; C223-V234 CarbonylContact O-C 3.57Å; C223-V234 WeakPolarHBondContact O-CA 3.42Å; V224-V234 HydrophobicContact CG1-CG2 4.37Å; V224-V234 HydrophobicContact CG2-CG1 4.36Å; V234-E236 PolarHBondContact O-N 2.97Å; V234-K237 PolarHBondContact N-O 2.91Å; V234-K237 PolarHBondContact O-N 3.44Å; V234-L239 HydrophobicContact CB-CD1 3.64Å; V234-L239 HydrophobicContact CB-CG 4.27Å; V234-L239 HydrophobicContact CG1-CD1 4.04Å; V234-L239 HydrophobicContact CG2-CD1 3.8Å; V234-L239 HydrophobicContact CG2-CG 4.36Å; V234-I241 HydrophobicContact CG2-CD1 4.43Å; V234-F260 HydrophobicContact CG1-CE2 4.2Å; V234-F260 HydrophobicContact CG2-CE2 4.02Å; V234-Y263 HydrophobicContact CB-CE1 4.46Å; V234-Y263 HydrophobicContact CG1-CD1 4.18Å; V234-Y263 HydrophobicContact CG1-CE1 3.69Å; V234-L264 HydrophobicContact CG1-CD2 3.99Å
235G90.1Very high93.7Very high18 Ų1855.3 Ų55.319%0.18626%0.26CS..THydrogen-bonded Turntrans59.6-121-162.300000110.1C223 R233C223-G235 PolarHBondContact O-N 3.45Å; R233-G235 WeakPolarHBondContact CG-O 3.16Å
236E89.2Confident93.6Very high200 Ų20057 Ų5794%0.93527%0.271SS*.THydrogen-bonded Turntrans-95.1-4.8179.4-61.4178.4170.500113.3V234V234-E236 PolarHBondContact O-N 2.97Å
237K92Very high93.5Very high118 Ų11857.1 Ų57.151%0.51328%0.275SS..EExtended strand (participates in β ladder)trans-102.4143.5-175.1-66.1-176.6-179.1177.90111.4R233 V234 L239 Y263R233-K237 CarbonylContact C-O 3.56Å; R233-K237 WeakPolarHBondContact CA-O 3.43Å; V234-K237 PolarHBondContact N-O 2.91Å; V234-K237 PolarHBondContact O-N 3.44Å; K237-L239 HydrophobicContact CB-CD2 4.23Å; K237-L239 HydrophobicContact CB-CG 4.49Å; K237-Y263 WeakPolarHBondContact CD-OH 3.4Å
238I93Very high93.6Very high99 Ų9955 Ų5551%0.50826%0.263SS..EExtended strand (participates in β ladder)trans-92.5125.4167.4-60.2177.4000107.6L227 Y232L227-I238 HydrophobicContact CD1-CD1 3.99Å; L227-I238 HydrophobicContact CD1-CG1 3.98Å; L227-I238 HydrophobicContact CD1-CG2 3.96Å; Y232-I238 CarbonylContact O-C 3.57Å; Y232-I238 WeakPolarHBondContact O-CA 3.35Å
239L94.3Very high93.8Very high13 Ų1353.1 Ų53.17%0.06825%0.25CS..EExtended strand (participates in β ladder)trans-122.5142.5-176.7-58.5178000111.1R231 Y232 V234 K237 I241 V251 Y263R231-L239 WeakPolarHBondContact CA-O 3.47Å; Y232-L239 PolarHBondContact N-O 2.82Å; Y232-L239 PolarHBondContact O-N 3.22Å; V234-L239 HydrophobicContact CB-CD1 3.64Å; V234-L239 HydrophobicContact CB-CG 4.27Å; V234-L239 HydrophobicContact CG1-CD1 4.04Å; V234-L239 HydrophobicContact CG2-CD1 3.8Å; V234-L239 HydrophobicContact CG2-CG 4.36Å; K237-L239 HydrophobicContact CB-CD2 4.23Å; K237-L239 HydrophobicContact CB-CG 4.49Å; L239-I241 HydrophobicContact CB-CG1 4.33Å; L239-V251 HydrophobicContact CB-CG1 4.02Å; L239-V251 HydrophobicContact CD1-CG1 3.84Å; L239-V251 HydrophobicContact CD2-CG1 4.24Å; L239-V251 HydrophobicContact CG-CG1 4.25Å; L239-Y263 HydrophobicContact CD1-CD1 3.86Å; L239-Y263 HydrophobicContact CD1-CD2 4.32Å; L239-Y263 HydrophobicContact CD1-CE1 3.38Å; L239-Y263 HydrophobicContact CD1-CE2 3.85Å; L239-Y263 HydrophobicContact CD1-CG 4.32Å; L239-Y263 HydrophobicContact CD2-CE2 4.24Å
240F95.2Very high94.1Very high24 Ų2449.2 Ų49.211%0.10523%0.232CC..EExtended strand (participates in β ladder)trans-88.6116.9167.5-69.4-95.7000109.4I173 E176 E177 G230 R231 V251 R252I173-F240 HydrophobicContact CB-CD1 4.38Å; I173-F240 HydrophobicContact CD1-CB 3.68Å; I173-F240 HydrophobicContact CD1-CG 4.45Å; I173-F240 HydrophobicContact CG1-CB 3.94Å; I173-F240 HydrophobicContact CG1-CD1 4.09Å; I173-F240 HydrophobicContact CG1-CG 4.25Å; I173-F240 HydrophobicContact CG2-CB 3.96Å; I173-F240 HydrophobicContact CG2-CD1 3.7Å; I173-F240 HydrophobicContact CG2-CD2 3.96Å; I173-F240 HydrophobicContact CG2-CE1 4.1Å; I173-F240 HydrophobicContact CG2-CE2 4.38Å; I173-F240 HydrophobicContact CG2-CG 3.61Å; I173-F240 HydrophobicContact CG2-CZ 4.46Å; E176-F240 HydrophobicContact CB-CE1 4.46Å; E177-F240 HydrophobicContact CG-CE1 4.06Å; E177-F240 HydrophobicContact CG-CE2 3.66Å; E177-F240 HydrophobicContact CG-CZ 3.32Å; E177-F240 WeakPolarHBondContact OE1-CE2 3.49Å; G230-F240 CarbonylContact O-C 3.54Å; G230-F240 WeakPolarHBondContact O-CA 3.37Å; R231-F240 HydrophobicContact CG-CD1 3.94Å; R231-F240 HydrophobicContact CG-CE1 3.75Å; R231-F240 HydrophobicContact CG-CZ 4.33Å; F240-V251 WeakPolarHBondContact O-CA 3.5Å; F240-R252 HydrophobicContact CB-CB 4.31Å; F240-R252 PolarHBondContact O-N 3.15Å
241I96.1Very high94.2Very high0 Ų049.2 Ų49.20%023%0.231CC..EExtended strand (participates in β ladder)trans-114.7135-179.3-46.9-173000108.9L203 V207 G230 Y232 V234 L239 V249 M250 V251 F260L203-I241 HydrophobicContact CD1-CG2 4.11Å; V207-I241 HydrophobicContact CG2-CD1 4.35Å; V207-I241 HydrophobicContact CG2-CG2 3.96Å; G230-I241 VanDerWaalsContact CA-O 3.29Å; G230-I241 WeakPolarHBondContact CA-O 3.41Å; G230-I241 PolarHBondContact O-N 3.35Å; Y232-I241 HydrophobicContact CD2-CB 3.73Å; Y232-I241 HydrophobicContact CD2-CD1 3.48Å; Y232-I241 VanDerWaalsContact CD2-CD1 3.48Å; Y232-I241 HydrophobicContact CD2-CG1 3.56Å; Y232-I241 HydrophobicContact CE2-CB 3.83Å; Y232-I241 HydrophobicContact CE2-CD1 4.17Å; Y232-I241 HydrophobicContact CE2-CG1 4.19Å; Y232-I241 HydrophobicContact CG-CD1 3.73Å; Y232-I241 HydrophobicContact CG-CG1 4.26Å; V234-I241 HydrophobicContact CG2-CD1 4.43Å; L239-I241 HydrophobicContact CB-CG1 4.33Å; I241-V249 HydrophobicContact CG2-CG1 3.33Å; I241-M250 CarbonylContact C-O 3.59Å; I241-M250 VanDerWaalsContact CA-O 3.26Å; I241-M250 WeakPolarHBondContact CA-O 3.5Å; I241-M250 WeakPolarHBondContact CG2-O 3.39Å; I241-V251 HydrophobicContact CG1-CG2 4.25Å; I241-V251 HydrophobicContact CG2-CG2 4.49Å; I241-F260 HydrophobicContact CD1-CD2 3.74Å; I241-F260 HydrophobicContact CD1-CE2 3.73Å; I241-F260 HydrophobicContact CD1-CG 4.31Å; I241-F260 HydrophobicContact CD1-CZ 4.29Å
242R95.9Very high94.1Very high13 Ų1349.7 Ų49.75%0.04923%0.233CC..EExtended strand (participates in β ladder)trans-135.7155.3-178.9-67.4-64.9-180-76.21.7111.3L169 E172 I173 E176 G230 M250L169-R242 HydrophobicContact CB-CG 4.41Å; L169-R242 HydrophobicContact CD1-CB 3.86Å; L169-R242 HydrophobicContact CD2-CB 3.98Å; L169-R242 HydrophobicContact CD2-CG 4.11Å; L169-R242 HydrophobicContact CG-CB 4.34Å; E172-R242 IonicContact OE2-NE 3.72Å; I173-R242 HydrophobicContact CD1-CG 4.09Å; I173-R242 HydrophobicContact CG1-CG 4.41Å; E176-R242 IonicContact OE1-CZ 3.71Å; E176-R242 IonicContact OE1-NH2 3.65Å; E176-R242 PolarHBondContact OE1-NH2 3.46Å; E176-R242 IonicContact OE2-CZ 3.4Å; E176-R242 IonicContact OE2-NH2 3.34Å; E176-R242 PolarHBondContact OE2-NH2 3.14Å; G230-R242 VanDerWaalsContact CA-NH1 3.28Å; G230-R242 PolarHBondContact O-NH1 3.41Å; R242-M250 PolarHBondContact N-O 2.73Å; R242-M250 PolarHBondContact O-N 3.24Å
243M95.8Very high93.7Very high32 Ų3251.5 Ų51.516%0.15825%0.245CC..EExtended strand (participates in β ladder)trans-94.7116.3172.1-174.864.771.700108.9L203 A206 V249L203-M243 HydrophobicContact CD1-CB 4.26Å; L203-M243 HydrophobicContact CD1-CE 4.39Å; A206-M243 HydrophobicContact CB-CE 3.74Å; M243-V249 HydrophobicContact CE-CG2 3.82Å; M243-V249 HydrophobicContact SD-CG2 4.28Å
244L96.4Very high92.6Very high3 Ų350.7 Ų50.72%0.01627%0.266CS..EExtended strand (participates in β ladder)trans-94.9126.1172.4179.473.2000109.2P34 D38 L166 L169 N246 K247 H248 M250P34-L244 HydrophobicContact CB-CD2 4.09Å; D38-L244 HydrophobicContact CB-CD2 4.23Å; L166-L244 HydrophobicContact CD1-CD2 4.35Å; L166-L244 HydrophobicContact CD2-CD1 4.2Å; L166-L244 HydrophobicContact CD2-CD2 3.77Å; L166-L244 HydrophobicContact CD2-CG 4.46Å; L166-L244 HydrophobicContact CG-CD1 4.1Å; L166-L244 HydrophobicContact CG-CD2 3.85Å; L169-L244 HydrophobicContact CD1-CB 4.17Å; L169-L244 HydrophobicContact CD1-CD1 4Å; L244-N246 PolarHBondContact O-N 3.07Å; L244-K247 PolarHBondContact O-N 3.13Å; L244-H248 HydrophobicContact CB-CB 4.28Å; L244-H248 PolarHBondContact N-O 3.06Å; L244-H248 PolarHBondContact O-N 2.9Å; L244-M250 HydrophobicContact CB-CG 3.74Å; L244-M250 HydrophobicContact CD2-CG 4.22Å
245H93.3Very high91.6Very high79 Ų7954.6 Ų54.637%0.36631%0.306SS..THydrogen-bonded Turntrans51.632.1176.6-60166.8000114.6D38 K247D38-H245 IonicContact OD1-CE1 2.58Å; D38-H245 PolarHBondContact OD1-CE1 3.01Å; D38-H245 IonicContact OD1-NE2 3.05Å; D38-H245 PolarHBondContact OD1-NE2 3.04Å; H245-K247 PolarHBondContact O-N 3.25Å
246N91.9Very high91.4Very high125 Ų12554.3 Ų54.367%0.66830%0.303SS*.THydrogen-bonded Turntrans53.820.8-177.1-59.2-33.2000114.5L244L244-N246 PolarHBondContact O-N 3.07Å
247K92.8Very high91.6Very high126 Ų12646 Ų4655%0.54826%0.263SS..THydrogen-bonded Turntrans-131.7-46.1-171.9-177.6179.5176-173.70112.1E37 L244 H245E37-K247 IonicContact OE1-NZ 2.89Å; E37-K247 PolarHBondContact OE1-NZ 3.42Å; E37-K247 IonicContact OE2-NZ 3.43Å; E37-K247 PolarHBondContact OE2-NZ 2.85Å; L244-K247 PolarHBondContact O-N 3.13Å; H245-K247 PolarHBondContact O-N 3.25Å
248H95Very high91.6Very high23 Ų2341.6 Ų41.611%0.10625%0.245CC..EExtended strand (participates in β ladder)trans-106.6125.1-172.9-57-71.4000111.3P34 E37 L244 M250P34-H248 HydrophobicContact CB-CB 3.95Å; P34-H248 HydrophobicContact CG-CB 4.15Å; E37-H248 IonicContact OE1-NE2 2.73Å; E37-H248 IonicContact OE2-CD2 3.94Å; E37-H248 IonicContact OE2-CE1 2.6Å; E37-H248 IonicContact OE2-NE2 2.67Å; E37-H248 PolarHBondContact OE2-NE2 3.42Å; L244-H248 HydrophobicContact CB-CB 4.28Å; L244-H248 PolarHBondContact N-O 3.06Å; L244-H248 PolarHBondContact O-N 2.9Å; H248-M250 HydrophobicContact CB-CG 4.23Å; H248-M250 HydrophobicContact CB-SD 3.85Å; H248-M250 PolarHBondContact O-N 2.98Å
249V96.3Very high91.7Very high11 Ų1138 Ų387%0.06723%0.227CC..EExtended strand (participates in β ladder)trans-85.6112.3170.6-175.20000108.2L203 A206 V207 I210 I241 M243 T259 F260L203-V249 HydrophobicContact CD1-CG1 4.05Å; A206-V249 HydrophobicContact CB-CG2 3.65Å; V207-V249 HydrophobicContact CG2-CG1 3.84Å; I210-V249 HydrophobicContact CD1-CB 3.72Å; I210-V249 HydrophobicContact CD1-CG1 4.34Å; I210-V249 HydrophobicContact CD1-CG2 3.61Å; I241-V249 HydrophobicContact CG2-CG1 3.33Å; M243-V249 HydrophobicContact CE-CG2 3.82Å; M243-V249 HydrophobicContact SD-CG2 4.28Å; V249-T259 CarbonylContact O-C 3.57Å; V249-T259 WeakPolarHBondContact O-CA 3.27Å; V249-F260 HydrophobicContact CB-CB 4.14Å; V249-F260 HydrophobicContact CG1-CB 3.62Å; V249-F260 HydrophobicContact CG1-CD1 4.35Å; V249-F260 HydrophobicContact CG1-CG 4.24Å; V249-F260 PolarHBondContact O-N 2.87Å
250M96.3Very high91.7Very high2 Ų237.3 Ų37.31%0.0122%0.224CC..EExtended strand (participates in β ladder)trans-111143.2-173.2-57.8-56.8-67.600110.9P34 L166 I241 R242 L244 H248 W257 E258 T259P34-M250 HydrophobicContact CB-CE 4.02Å; P34-M250 HydrophobicContact CB-SD 3.69Å; P34-M250 HydrophobicContact CG-CE 4.38Å; P34-M250 HydrophobicContact CG-SD 3.94Å; L166-M250 HydrophobicContact CD2-CE 4.18Å; L166-M250 HydrophobicContact CD2-CG 4.24Å; I241-M250 CarbonylContact C-O 3.59Å; I241-M250 VanDerWaalsContact CA-O 3.26Å; I241-M250 WeakPolarHBondContact CA-O 3.5Å; I241-M250 WeakPolarHBondContact CG2-O 3.39Å; R242-M250 PolarHBondContact N-O 2.73Å; R242-M250 PolarHBondContact O-N 3.24Å; L244-M250 HydrophobicContact CB-CG 3.74Å; L244-M250 HydrophobicContact CD2-CG 4.22Å; H248-M250 HydrophobicContact CB-CG 4.23Å; H248-M250 HydrophobicContact CB-SD 3.85Å; H248-M250 PolarHBondContact O-N 2.98Å; M250-W257 HydrophobicContact CB-CE3 3.79Å; M250-W257 HydrophobicContact CB-CZ3 3.99Å; M250-W257 HydrophobicContact CE-CB 4.03Å; M250-E258 CarbonylContact C-O 3.58Å; M250-E258 WeakPolarHBondContact CA-O 3.35Å; M250-T259 HydrophobicContact CE-CG2 4.5Å; M250-T259 HydrophobicContact SD-CG2 3.98Å
251V95.3Very high91.5Very high0 Ų038 Ų380%023%0.233CC..EExtended strand (participates in β ladder)trans-116.6134177.8-176.50000108.7L239 F240 I241 V253 E258 F260 Y263L239-V251 HydrophobicContact CB-CG1 4.02Å; L239-V251 HydrophobicContact CD1-CG1 3.84Å; L239-V251 HydrophobicContact CD2-CG1 4.24Å; L239-V251 HydrophobicContact CG-CG1 4.25Å; F240-V251 WeakPolarHBondContact O-CA 3.5Å; I241-V251 HydrophobicContact CG1-CG2 4.25Å; I241-V251 HydrophobicContact CG2-CG2 4.49Å; V251-V253 HydrophobicContact CG1-CG1 3.91Å; V251-E258 PolarHBondContact N-O 3.33Å; V251-E258 PolarHBondContact O-N 3.42Å; V251-F260 HydrophobicContact CG2-CB 3.68Å; V251-F260 HydrophobicContact CG2-CD2 3.62Å; V251-F260 HydrophobicContact CG2-CG 4.12Å; V251-Y263 HydrophobicContact CG1-CD2 4.38Å
252R92.5Very high91.2Very high57 Ų5738 Ų3822%0.21523%0.234CC..EExtended strand (participates in β ladder)trans-83.1119.7169.3-170.569.5-178.777.110.4109.7I173 F240 G254 G256 W257I173-R252 HydrophobicContact CD1-CB 3.89Å; I173-R252 HydrophobicContact CD1-CG 4.37Å; F240-R252 HydrophobicContact CB-CB 4.31Å; F240-R252 PolarHBondContact O-N 3.15Å; R252-G254 VanDerWaalsContact NH1-C 3.33Å; R252-G254 PolarHBondContact NH1-O 3.37Å; R252-G254 PolarHBondContact NH2-O 2.84Å; R252-G254 VanDerWaalsContact NH2-O 3.11Å; R252-G256 PolarHBondContact NH1-O 2.93Å; R252-W257 HydrophobicContact CB-CE3 4.48Å; R252-W257 HydrophobicContact CB-CH2 4.4Å; R252-W257 HydrophobicContact CB-CZ3 4.18Å
253V88.1Confident91Very high44 Ų4437.7 Ų37.727%0.26723%0.233SC..EExtended strand (participates in β ladder)trans-124.3106.4177.7-69.40000108.8V251 G255 G256 E258 Y263V251-V253 HydrophobicContact CG1-CG1 3.91Å; V253-G255 VanDerWaalsContact C-N 3.34Å; V253-G255 PolarHBondContact O-N 2.92Å; V253-G256 PolarHBondContact N-O 2.94Å; V253-G256 PolarHBondContact O-N 3.39Å; V253-E258 HydrophobicContact CG2-CB 4.2Å; V253-Y263 HydrophobicContact CG1-CD2 3.79Å; V253-Y263 HydrophobicContact CG1-CE2 3.9Å
254G70.6Confident90.8Very high77 Ų7736.2 Ų36.279%0.79423%0.225SC*.THydrogen-bonded Turntrans39.3-78.9170.400000117.1R252R252-G254 VanDerWaalsContact NH1-C 3.33Å; R252-G254 PolarHBondContact NH1-O 3.37Å; R252-G254 PolarHBondContact NH2-O 2.84Å; R252-G254 VanDerWaalsContact NH2-O 3.11Å
255G73Confident90.3Very high82 Ų8238.2 Ų38.285%0.84524%0.236SC*.THydrogen-bonded Turntrans-99.55.3179.200000118.1V253V253-G255 VanDerWaalsContact C-N 3.34Å; V253-G255 PolarHBondContact O-N 2.92Å
256G86.4Confident90Very high13 Ų1339.6 Ų39.613%0.13424%0.241CC..EExtended strand (participates in β ladder)trans-176.9-155.9174.700000116.1R252 V253R252-G256 PolarHBondContact NH1-O 2.93Å; V253-G256 PolarHBondContact N-O 2.94Å; V253-G256 PolarHBondContact O-N 3.39Å
257W93.3Very high89.8Confident24 Ų2437 Ų379%0.09122%0.224CC..EExtended strand (participates in β ladder)trans-114.4138.2179.8-71.2100.4000110.9L166 L169 E170 I173 M250 R252L166-W257 HydrophobicContact CD2-CB 4.19Å; L166-W257 HydrophobicContact CD2-CD2 3.75Å; L166-W257 HydrophobicContact CD2-CE3 4.18Å; L166-W257 HydrophobicContact CD2-CG 3.76Å; L166-W257 VanDerWaalsContact O-CZ2 3.28Å; L166-W257 WeakPolarHBondContact O-CZ2 3.47Å; L166-W257 PolarHBondContact O-NE1 3.38Å; L169-W257 HydrophobicContact CB-CH2 3.61Å; L169-W257 HydrophobicContact CB-CZ2 3.79Å; E170-W257 HydrophobicContact CB-CZ2 3.96Å; I173-W257 HydrophobicContact CD1-CH2 3.48Å; I173-W257 VanDerWaalsContact CD1-CH2 3.48Å; I173-W257 HydrophobicContact CD1-CZ2 4.26Å; I173-W257 HydrophobicContact CD1-CZ3 4.18Å; M250-W257 HydrophobicContact CB-CE3 3.79Å; M250-W257 HydrophobicContact CB-CZ3 3.99Å; M250-W257 HydrophobicContact CE-CB 4.03Å; R252-W257 HydrophobicContact CB-CE3 4.48Å; R252-W257 HydrophobicContact CB-CH2 4.4Å; R252-W257 HydrophobicContact CB-CZ3 4.18Å
258E92.8Very high89.6Confident26 Ų2631.4 Ų31.412%0.12120%0.201CC..EExtended strand (participates in β ladder)trans-136.5153.4173.4-177.9166.1-16400109.8M250 V251 V253 G262 K266M250-E258 CarbonylContact C-O 3.58Å; M250-E258 WeakPolarHBondContact CA-O 3.35Å; V251-E258 PolarHBondContact N-O 3.33Å; V251-E258 PolarHBondContact O-N 3.42Å; V253-E258 HydrophobicContact CG2-CB 4.2Å; E258-G262 VanDerWaalsContact OE1-C 3.24Å; E258-K266 WeakPolarHBondContact OE1-CD 3.44Å; E258-K266 WeakPolarHBondContact OE1-CE 3.49Å; E258-K266 IonicContact OE1-NZ 3.46Å; E258-K266 PolarHBondContact OE1-NZ 3.36Å; E258-K266 IonicContact OE2-NZ 2.89Å; E258-K266 PolarHBondContact OE2-NZ 2.95Å
259T94.3Very high89.1Confident23 Ų2333.5 Ų33.514%0.14122%0.217CC..EExtended strand (participates in β ladder)trans-68.4145.6171.162.40000110.6P34 V249 M250 A261 G262 Y263P34-T259 HydrophobicContact CG-CG2 3.59Å; V249-T259 CarbonylContact O-C 3.57Å; V249-T259 WeakPolarHBondContact O-CA 3.27Å; M250-T259 HydrophobicContact CE-CG2 4.5Å; M250-T259 HydrophobicContact SD-CG2 3.98Å; T259-A261 PolarHBondContact O-N 2.64Å; T259-G262 PolarHBondContact O-N 3.49Å; T259-G262 VanDerWaalsContact O-N 3.07Å; T259-G262 PolarHBondContact OG1-N 3.24Å; T259-Y263 PolarHBondContact O-N 3.06Å
260F94.6Very high88.4Confident0 Ų034.5 Ų34.50%022%0.223CC..Hα-helixtrans-60.8-36.6177.1-178.2-124.3000112.3V207 I210 V224 V234 I241 V249 V251 Y263 L264V207-F260 HydrophobicContact CB-CE1 4.4Å; V207-F260 HydrophobicContact CG1-CD1 4.4Å; V207-F260 HydrophobicContact CG1-CE1 3.74Å; V207-F260 HydrophobicContact CG1-CZ 4.09Å; I210-F260 HydrophobicContact CB-CD1 3.91Å; I210-F260 HydrophobicContact CB-CE1 4.25Å; I210-F260 HydrophobicContact CD1-CD1 4.29Å; I210-F260 HydrophobicContact CG2-CD1 3.55Å; I210-F260 HydrophobicContact CG2-CE1 4.02Å; I210-F260 HydrophobicContact CG2-CG 4.43Å; V224-F260 HydrophobicContact CG1-CZ 3.87Å; V224-F260 HydrophobicContact CG2-CZ 4.16Å; V234-F260 HydrophobicContact CG1-CE2 4.2Å; V234-F260 HydrophobicContact CG2-CE2 4.02Å; I241-F260 HydrophobicContact CD1-CD2 3.74Å; I241-F260 HydrophobicContact CD1-CE2 3.73Å; I241-F260 HydrophobicContact CD1-CG 4.31Å; I241-F260 HydrophobicContact CD1-CZ 4.29Å; V249-F260 HydrophobicContact CB-CB 4.14Å; V249-F260 HydrophobicContact CG1-CB 3.62Å; V249-F260 HydrophobicContact CG1-CD1 4.35Å; V249-F260 HydrophobicContact CG1-CG 4.24Å; V249-F260 PolarHBondContact O-N 2.87Å; V251-F260 HydrophobicContact CG2-CB 3.68Å; V251-F260 HydrophobicContact CG2-CD2 3.62Å; V251-F260 HydrophobicContact CG2-CG 4.12Å; F260-Y263 PolarHBondContact O-N 2.93Å; F260-L264 HydrophobicContact CD1-CD1 4.35Å; F260-L264 HydrophobicContact CD2-CG 4.41Å; F260-L264 HydrophobicContact CE1-CD1 3.8Å; F260-L264 HydrophobicContact CE1-CG 4.3Å; F260-L264 HydrophobicContact CE2-CD1 4.39Å; F260-L264 HydrophobicContact CE2-CD2 3.95Å; F260-L264 HydrophobicContact CE2-CG 4.02Å; F260-L264 HydrophobicContact CZ-CD1 3.83Å; F260-L264 HydrophobicContact CZ-CD2 3.93Å; F260-L264 HydrophobicContact CZ-CG 3.96Å; F260-L264 WeakPolarHBondContact O-CG 3.31Å; F260-L264 PolarHBondContact O-N 2.92Å
261A91.4Very high87.6Confident37 Ų3735.7 Ų35.731%0.30623%0.228SC..Hα-helixtrans-61.3-45.1172.700000112.1I210 T259 Y263 L264 L265I210-A261 HydrophobicContact CG2-CB 3.94Å; T259-A261 PolarHBondContact O-N 2.64Å; A261-Y263 VanDerWaalsContact C-N 3.35Å; A261-L264 PolarHBondContact O-N 2.91Å; A261-L265 WeakPolarHBondContact O-CD1 3.45Å; A261-L265 WeakPolarHBondContact O-CG 3.28Å; A261-L265 PolarHBondContact O-N 3.39Å
262G89.6Confident86.5Confident1 Ų139.4 Ų39.41%0.0125%0.246CC..Hα-helixtrans-60.6-43.1175.800000112.4E258 T259 L265 K266E258-G262 VanDerWaalsContact OE1-C 3.24Å; T259-G262 PolarHBondContact O-N 3.49Å; T259-G262 VanDerWaalsContact O-N 3.07Å; T259-G262 PolarHBondContact OG1-N 3.24Å; G262-L265 WeakPolarHBondContact O-CB 3.31Å; G262-L265 PolarHBondContact O-N 3.45Å; G262-K266 PolarHBondContact O-N 2.93Å
263Y91.6Very high84.8Confident6 Ų640.8 Ų40.82%0.02426%0.258CS..Hα-helixtrans-59-50.4174.7-176.8-85.8000111.7V234 K237 L239 V251 V253 T259 F260 A261 L265 K266 H267V234-Y263 HydrophobicContact CB-CE1 4.46Å; V234-Y263 HydrophobicContact CG1-CD1 4.18Å; V234-Y263 HydrophobicContact CG1-CE1 3.69Å; K237-Y263 WeakPolarHBondContact CD-OH 3.4Å; L239-Y263 HydrophobicContact CD1-CD1 3.86Å; L239-Y263 HydrophobicContact CD1-CD2 4.32Å; L239-Y263 HydrophobicContact CD1-CE1 3.38Å; L239-Y263 HydrophobicContact CD1-CE2 3.85Å; L239-Y263 HydrophobicContact CD1-CG 4.32Å; L239-Y263 HydrophobicContact CD2-CE2 4.24Å; V251-Y263 HydrophobicContact CG1-CD2 4.38Å; V253-Y263 HydrophobicContact CG1-CD2 3.79Å; V253-Y263 HydrophobicContact CG1-CE2 3.9Å; T259-Y263 PolarHBondContact O-N 3.06Å; F260-Y263 PolarHBondContact O-N 2.93Å; A261-Y263 VanDerWaalsContact C-N 3.35Å; Y263-L265 VanDerWaalsContact C-N 3.28Å; Y263-L265 PolarHBondContact O-N 3.12Å; Y263-K266 PolarHBondContact O-N 3.26Å; Y263-H267 HydrophobicContact CD1-CB 4.38Å; Y263-H267 AromaticContact CD1-CD2 3.87Å; Y263-H267 AromaticContact CD2-CD2 3.51Å; Y263-H267 AromaticContact CD2-NE2 3.91Å; Y263-H267 HydrophobicContact CE1-CB 3.92Å; Y263-H267 AromaticContact CE1-CD2 3.62Å; Y263-H267 AromaticContact CE1-CG 3.93Å; Y263-H267 AromaticContact CE2-CD2 3.27Å; Y263-H267 WeakPolarHBondContact CE2-CD2 3.42Å; Y263-H267 AromaticContact CE2-NE2 3.51Å; Y263-H267 AromaticContact CG-CD2 3.81Å; Y263-H267 AromaticContact CZ-CD2 3.32Å; Y263-H267 AromaticContact CZ-CG 3.8Å; Y263-H267 AromaticContact CZ-NE2 3.88Å; Y263-H267 PolarHBondContact O-CD2 2.94Å; Y263-H267 VanDerWaalsContact O-CD2 3.23Å; Y263-H267 PolarHBondContact O-N 3.14Å; Y263-H267 VanDerWaalsContact O-N 3.08Å
264L90.9Very high83.3Confident1 Ų142.8 Ų42.81%0.00526%0.264CS..Hα-helixtrans-60.9-37.4177.9-68.1-176.5000111.9I210 F222 V224 V234 F260 A261 K266 H267 D268I210-L264 HydrophobicContact CG2-CD1 4.06Å; F222-L264 HydrophobicContact CD1-CD2 3.85Å; F222-L264 HydrophobicContact CE1-CD2 3.69Å; V224-L264 HydrophobicContact CG2-CD2 4.36Å; V234-L264 HydrophobicContact CG1-CD2 3.99Å; F260-L264 HydrophobicContact CD1-CD1 4.35Å; F260-L264 HydrophobicContact CD2-CG 4.41Å; F260-L264 HydrophobicContact CE1-CD1 3.8Å; F260-L264 HydrophobicContact CE1-CG 4.3Å; F260-L264 HydrophobicContact CE2-CD1 4.39Å; F260-L264 HydrophobicContact CE2-CD2 3.95Å; F260-L264 HydrophobicContact CE2-CG 4.02Å; F260-L264 HydrophobicContact CZ-CD1 3.83Å; F260-L264 HydrophobicContact CZ-CD2 3.93Å; F260-L264 HydrophobicContact CZ-CG 3.96Å; F260-L264 WeakPolarHBondContact O-CG 3.31Å; F260-L264 PolarHBondContact O-N 2.92Å; A261-L264 PolarHBondContact O-N 2.91Å; L264-K266 PolarHBondContact O-N 3.37Å; L264-H267 PolarHBondContact O-N 3.1Å; L264-D268 HydrophobicContact CB-CB 4.49Å; L264-D268 WeakPolarHBondContact O-CB 3.13Å; L264-D268 PolarHBondContact O-N 3.49Å
265L86.7Confident82.4Confident45 Ų4542.3 Ų42.324%0.23624%0.243CC..Hα-helixtrans-60.8-26.3176.8-77.8155.8000113.5R27 A261 G262 Y263 R271 M272R27-L265 VanDerWaalsContact NH1-CD1 3.29Å; A261-L265 WeakPolarHBondContact O-CD1 3.45Å; A261-L265 WeakPolarHBondContact O-CG 3.28Å; A261-L265 PolarHBondContact O-N 3.39Å; G262-L265 WeakPolarHBondContact O-CB 3.31Å; G262-L265 PolarHBondContact O-N 3.45Å; Y263-L265 VanDerWaalsContact C-N 3.28Å; Y263-L265 PolarHBondContact O-N 3.12Å; L265-R271 HydrophobicContact CD2-CB 4.37Å; L265-M272 WeakPolarHBondContact O-CG 3.44Å
266K86.9Confident81Confident109 Ų10942.7 Ų42.747%0.47423%0.232SC..Hα-helixtrans-94.1-20.4178.5-65.8173.9-179.2168.90114.1E258 G262 Y263 L264E258-K266 WeakPolarHBondContact OE1-CD 3.44Å; E258-K266 WeakPolarHBondContact OE1-CE 3.49Å; E258-K266 IonicContact OE1-NZ 3.46Å; E258-K266 PolarHBondContact OE1-NZ 3.36Å; E258-K266 IonicContact OE2-NZ 2.89Å; E258-K266 PolarHBondContact OE2-NZ 2.95Å; G262-K266 PolarHBondContact O-N 2.93Å; Y263-K266 PolarHBondContact O-N 3.26Å; L264-K266 PolarHBondContact O-N 3.37Å
267H88.1Confident79Confident69 Ų6950.9 Ų50.932%0.31926%0.259SS..Hα-helixtrans-123-23-168.4-68.3-66.2000114.4F222 Y263 L264 P269F222-H267 WeakPolarHBondContact CE2-O 3.42Å; F222-H267 HydrophobicContact CZ-CB 4.2Å; Y263-H267 HydrophobicContact CD1-CB 4.38Å; Y263-H267 AromaticContact CD1-CD2 3.87Å; Y263-H267 AromaticContact CD2-CD2 3.51Å; Y263-H267 AromaticContact CD2-NE2 3.91Å; Y263-H267 HydrophobicContact CE1-CB 3.92Å; Y263-H267 AromaticContact CE1-CD2 3.62Å; Y263-H267 AromaticContact CE1-CG 3.93Å; Y263-H267 AromaticContact CE2-CD2 3.27Å; Y263-H267 WeakPolarHBondContact CE2-CD2 3.42Å; Y263-H267 AromaticContact CE2-NE2 3.51Å; Y263-H267 AromaticContact CG-CD2 3.81Å; Y263-H267 AromaticContact CZ-CD2 3.32Å; Y263-H267 AromaticContact CZ-CG 3.8Å; Y263-H267 AromaticContact CZ-NE2 3.88Å; Y263-H267 PolarHBondContact O-CD2 2.94Å; Y263-H267 VanDerWaalsContact O-CD2 3.23Å; Y263-H267 PolarHBondContact O-N 3.14Å; Y263-H267 VanDerWaalsContact O-N 3.08Å; L264-H267 PolarHBondContact O-N 3.1Å; H267-P269 VanDerWaalsContact O-CD 3.31Å; H267-P269 WeakPolarHBondContact O-CD 3.41Å
268D87.9Confident76.5Confident9 Ų952 Ų525%0.04827%0.268CS..  trans-81.8114.1174.2178.4-10.3000109.5F222 L264 C270 R271 M272F222-D268 HydrophobicContact CB-CB 4.12Å; F222-D268 WeakPolarHBondContact CB-OD1 3.22Å; F222-D268 HydrophobicContact CD1-CB 3.84Å; F222-D268 HydrophobicContact CE1-CB 4.35Å; F222-D268 HydrophobicContact CG-CB 3.92Å; L264-D268 HydrophobicContact CB-CB 4.49Å; L264-D268 WeakPolarHBondContact O-CB 3.13Å; L264-D268 PolarHBondContact O-N 3.49Å; D268-C270 PolarHBondContact O-N 3.38Å; D268-C270 WeakPolarHBondContact OD1-CB 3.45Å; D268-C270 PolarHBondContact OD1-N 3.29Å; D268-R271 HydrophobicContact CB-CB 4.12Å; D268-R271 HydrophobicContact CB-CG 4.05Å; D268-R271 PolarHBondContact O-N 2.96Å; D268-R271 WeakPolarHBondContact OD2-CD 2.98Å; D268-R271 WeakPolarHBondContact OD2-CG 3.49Å; D268-R271 IonicContact OD2-NE 2.98Å; D268-R271 PolarHBondContact OD2-NE 3.32Å; D268-R271 VanDerWaalsContact OD2-NE 3.14Å; D268-M272 WeakPolarHBondContact O-CG 3.43Å; D268-M272 PolarHBondContact O-N 2.96Å
269P85Confident74Confident68 Ų6858.4 Ų58.444%0.44230%0.303SS..Hα-helixtrans-56.4-34.4179.9-25.235.6000113.7H267 R271 L273H267-P269 VanDerWaalsContact O-CD 3.31Å; H267-P269 WeakPolarHBondContact O-CD 3.41Å; P269-R271 VanDerWaalsContact C-N 3.26Å; P269-R271 PolarHBondContact O-N 2.94Å; P269-L273 VanDerWaalsContact O-CG 3.28Å; P269-L273 WeakPolarHBondContact O-CG 3.42Å; P269-L273 PolarHBondContact O-N 2.89Å
270C80.7Confident71.3Confident31 Ų3159.6 Ų59.621%0.20932%0.32CS..Hα-helixtrans-69.3-26.4179.7-65.30000111.5C218 D268C218-C270 WeakPolarHBondContact CB-SG 3.43Å; C218-C270 WeakPolarHBondContact SG-CB 3.31Å; C218-C270 CovalentContact SG-SG 2.08Å; C218-C270 PolarHBondContact SG-SG 3.47Å; D268-C270 PolarHBondContact O-N 3.38Å; D268-C270 WeakPolarHBondContact OD1-CB 3.45Å; D268-C270 PolarHBondContact OD1-N 3.29Å
271R80.3Confident68.6Low27 Ų2770 Ų7010%0.10237%0.365CS..Hα-helixtrans-89.3-38.7177.4-64176.8-171-114.9-1.6112.5I210 S211 D213 L265 D268 P269 L273 Q274I210-R271 PolarHBondContact O-NH2 2.08Å; S211-R271 PolarHBondContact O-NH2 3.38Å; D213-R271 VanDerWaalsContact O-CZ 3.29Å; D213-R271 PolarHBondContact O-NH1 3.44Å; D213-R271 PolarHBondContact O-NH2 2.81Å; L265-R271 HydrophobicContact CD2-CB 4.37Å; D268-R271 HydrophobicContact CB-CB 4.12Å; D268-R271 HydrophobicContact CB-CG 4.05Å; D268-R271 PolarHBondContact O-N 2.96Å; D268-R271 WeakPolarHBondContact OD2-CD 2.98Å; D268-R271 WeakPolarHBondContact OD2-CG 3.49Å; D268-R271 IonicContact OD2-NE 2.98Å; D268-R271 PolarHBondContact OD2-NE 3.32Å; D268-R271 VanDerWaalsContact OD2-NE 3.14Å; P269-R271 VanDerWaalsContact C-N 3.26Å; P269-R271 PolarHBondContact O-N 2.94Å; R271-L273 VanDerWaalsContact C-N 3.3Å; R271-L273 PolarHBondContact O-N 2.81Å; R271-Q274 WeakPolarHBondContact O-CB 3.5Å; R271-Q274 PolarHBondContact O-N 2.94Å; R271-Q274 VanDerWaalsContact O-N 3.1Å
272M71.2Confident65.9Low79 Ų7974.4 Ų74.439%0.38939%0.389SS..Hα-helixtrans-58.1-42.3175.8-70.6-161.5-50.800112.1L265 D268 Q274 I275 S276L265-M272 WeakPolarHBondContact O-CG 3.44Å; D268-M272 WeakPolarHBondContact O-CG 3.43Å; D268-M272 PolarHBondContact O-N 2.96Å; M272-Q274 PolarHBondContact O-N 3.03Å; M272-Q274 VanDerWaalsContact O-N 3.14Å; M272-I275 WeakPolarHBondContact O-CB 3.18Å; M272-I275 PolarHBondContact O-N 3.32Å; M272-S276 PolarHBondContact O-N 3.02Å
273L58.4Low63.1Low86 Ų8679.3 Ų79.345%0.4542%0.423SS..Hα-helixtrans-63.7-18.3179-70.3172.1000113.7P269 R271 I275 R277P269-L273 VanDerWaalsContact O-CG 3.28Å; P269-L273 WeakPolarHBondContact O-CG 3.42Å; P269-L273 PolarHBondContact O-N 2.89Å; R271-L273 VanDerWaalsContact C-N 3.3Å; R271-L273 PolarHBondContact O-N 2.81Å; L273-I275 VanDerWaalsContact C-N 3.3Å; L273-R277 WeakPolarHBondContact O-CB 3.4Å; L273-R277 WeakPolarHBondContact O-CG 3.16Å; L273-R277 PolarHBondContact O-N 2.96Å; L273-R277 VanDerWaalsContact O-N 3.12Å
274Q55.4Low60.3Low86 Ų8685.2 Ų85.240%0.40246%0.462SS..Hα-helixtrans-76.8-18.4173.3-61.5-147.5-0.900113.1R271 M272R271-Q274 WeakPolarHBondContact O-CB 3.5Å; R271-Q274 PolarHBondContact O-N 2.94Å; R271-Q274 VanDerWaalsContact O-N 3.1Å; M272-Q274 PolarHBondContact O-N 3.03Å; M272-Q274 VanDerWaalsContact O-N 3.14Å
275I52Low57.5Low67 Ų6793.1 Ų93.134%0.34450%0.503SS..Hα-helixtrans-84.7-36.6173.4-55.8172000109.7M272 L273M272-I275 WeakPolarHBondContact O-CB 3.18Å; M272-I275 PolarHBondContact O-N 3.32Å; L273-I275 VanDerWaalsContact C-N 3.3Å
276S43.7Very low54.9Low90 Ų9099.2 Ų99.263%0.62953%0.53SS*.Hα-helixtrans-78.5-25.5-179.3-47.20000114.3M272 V278M272-S276 PolarHBondContact O-N 3.02Å; S276-V278 PolarHBondContact O-N 3.37Å
277R43.3Very low52.3Low185 Ų18598.9 Ų98.970%0.69854%0.541SS*.  trans-7965.9172.5-73.9-173.5178.3120.1-2.6110.7L273L273-R277 WeakPolarHBondContact O-CB 3.4Å; L273-R277 WeakPolarHBondContact O-CG 3.16Å; L273-R277 PolarHBondContact O-N 2.96Å; L273-R277 VanDerWaalsContact O-N 3.12Å
278V41.1Very low49.4Very low47 Ų47105.2 Ų105.229%0.28557%0.568SS.*  trans-65126.3151.81730000105.5L14 S276 G280L14-V278 HydrophobicContact CB-CG1 4.06Å; L14-V278 HydrophobicContact CD1-CB 4.46Å; L14-V278 HydrophobicContact CD1-CG1 4.19Å; L14-V278 HydrophobicContact CD1-CG2 4.06Å; L14-V278 HydrophobicContact CG-CB 4.44Å; L14-V278 HydrophobicContact CG-CG1 3.91Å; L14-V278 HydrophobicContact CG-CG2 3.88Å; S276-V278 PolarHBondContact O-N 3.37Å; V278-G280 PolarHBondContact O-N 2.69Å
279D41.2Very low46.8Very low160 Ų160110.8 Ų110.886%0.85661%0.607SS**  trans-64.773.5175.8-84.2-50000110.8
280G38.3Very low44.1Very low48 Ų48113.5 Ų113.550%0.49563%0.625SS.*  trans-90.3107.4155.200000106.7V278 T282V278-G280 PolarHBondContact O-N 2.69Å; G280-T282 VanDerWaalsContact C-N 3.26Å; G280-T282 PolarHBondContact O-N 3.44Å
281K37.7Very low41.7Very low219 Ų219118.8 Ų118.895%0.95266%0.656SS**  trans-48.198.1160.2-97175.7173.2172.20107.9
282T34.7Very low39.7Very low129 Ų129125.5 Ų125.579%0.79169%0.693SS**  trans-122.8116.9160.847.90000106.1G280G280-T282 VanDerWaalsContact C-N 3.26Å; G280-T282 PolarHBondContact O-N 3.44Å
283S29.9Very low38.1Very low104 Ų104132.8 Ų132.873%0.72772%0.717SS**  trans-53.5149178.4-27.30000110.6I285S283-I285 PolarHBondContact O-N 2.97Å
284P34.1Very low36.9Very low130 Ų130135.7 Ų135.784%0.84473%0.733SS**  trans-73.7112.3179.528.9-30000110
285I31.1Very low35.8Very low168 Ų168140.6 Ų140.686%0.86276%0.758SS**  trans-89.8124.3159.6-66.4176.1000107.5S283S283-I285 PolarHBondContact O-N 2.97Å
286Q31.8Very low34.8Very low173 Ų173143.3 Ų143.381%0.80877%0.773SS**  trans-64.5137.7-177.4-75.2174.5-1300113.3
287S32.9Very low34.5Very low101 Ų101144.4 Ų144.471%0.70678%0.778SS**  trans44113.9143.7650000119.9
288K26.8Very low34Very low203 Ų203141.9 Ų141.988%0.88378%0.778SS**  -167.4124.4121.8-99.1164.7-168.7-174.50109.4
289S33.4Very low33.7Very low126 Ų126147 Ų14788%0.88180%0.804SS**  trans-69.7136.1176.9-160000110.7
290P29.2Very low33.5Very low125 Ų125148.6 Ų148.681%0.81280%0.799SS**  trans-104.9141.2158.11010.3000111.4
291T29.1Very low33.7Very low141 Ų141153.4 Ų153.487%0.86581%0.813SS**  trans-63.2155-175.6170000115.2R293T291-R293 PolarHBondContact O-N 3.44Å
292L38.3Very low33.4Very low168 Ų168148.2 Ų148.288%0.8880%0.799SS**SBendtrans-65.797176.8-144.6152000110.6
293R37.6Very low33.4Very low233 Ų233148 Ų14888%0.87980%0.797SS**  trans-177142.9155.4-96.9159.4-154.2-147.87107.9T291T291-R293 PolarHBondContact O-N 3.44Å
294D34.1Very low33.3Very low147 Ų147147.1 Ų147.179%0.78679%0.792SS**  trans85.969.4-177-55.9-36000117.2
295M31.8Very low33.3Very low188 Ų188144.3 Ų144.393%0.92678%0.779SS**  trans-106.889.1153.9-67.3-72.112300108.1
296N30.9Very low33.5Very low124 Ų124145 Ų14566%0.66378%0.778SS**  trans-92.9125166.4-172.811.3000108.6D298N296-D298 VanDerWaalsContact C-N 3.27Å; N296-D298 PolarHBondContact O-N 3.04Å
297P37.7Very low33.4Very low113 Ų113147 Ų14773%0.73478%0.78SS**THydrogen-bonded Turntrans-73.7-3.1-174.5-1630.6000116.4
298D33.2Very low33.6Very low132 Ų132151.9 Ų151.971%0.70679%0.788SS**THydrogen-bonded Turntrans-100.417.9-165.1-76.1-33000117.2N296 Y300N296-D298 VanDerWaalsContact C-N 3.27Å; N296-D298 PolarHBondContact O-N 3.04Å; D298-Y300 PolarHBondContact O-N 3.42Å
299N34.4Very low34Very low154 Ų154149 Ų14982%0.82479%0.788SS**  trans-9373.3176.6-131.83.8000112.4
300Y36.8Very low34.2Very low195 Ų195152.6 Ų152.677%0.76579%0.788SS**  trans-72.5125.8167.1-106.3-97.3000110.6D298 V302D298-Y300 PolarHBondContact O-N 3.42Å; Y300-V302 PolarHBondContact O-N 2.97Å; Y300-V302 VanDerWaalsContact O-N 3.17Å
301L41.4Very low34.6Very low149 Ų149156 Ų15678%0.7879%0.79SS**  trans27.772.8153.6-73.8160.3000117V303L301-V303 PolarHBondContact O-N 2.8Å
302V33.4Very low35Very low110 Ų110158.6 Ų158.667%0.66779%0.792SS**  trans-90.492.8155.6-175.90000107.8Y300 S304Y300-V302 PolarHBondContact O-N 2.97Å; Y300-V302 VanDerWaalsContact O-N 3.17Å; V302-S304 VanDerWaalsContact C-N 3.32Å; V302-S304 PolarHBondContact O-N 3.29Å; V302-S304 VanDerWaalsContact O-N 3.09Å
303V33.2Very low35.5Very low123 Ų123158.6 Ų158.675%0.74579%0.791SS**  trans-72.595.6160.5177.50000106.4L301 A305L301-V303 PolarHBondContact O-N 2.8Å; V303-A305 PolarHBondContact O-N 3.05Å
304S29.3Very low35.7Very low87 Ų87160.3 Ų160.361%0.60881%0.805SS**  trans-65.297.5169-63.30000109V302 H306V302-S304 VanDerWaalsContact C-N 3.32Å; V302-S304 PolarHBondContact O-N 3.29Å; V302-S304 VanDerWaalsContact O-N 3.09Å; S304-H306 PolarHBondContact O-N 3.45Å
305A34Very low35.8Very low70 Ų70161 Ų16158%0.57981%0.806SS**  trans-72.4111.5168.600000109V303 Y307V303-A305 PolarHBondContact O-N 3.05Å; A305-Y307 HydrophobicContact CB-CD2 4.5Å; A305-Y307 HydrophobicContact CB-CE2 4.27Å; A305-Y307 PolarHBondContact O-N 3.02Å; A305-Y307 VanDerWaalsContact O-N 3.16Å
306H33.6Very low36Very low182 Ų182159.6 Ų159.684%0.84380%0.8SS**  trans-72.9102168.7-71.1-70.7000109.6S304 K308S304-H306 PolarHBondContact O-N 3.45Å; H306-K308 PolarHBondContact O-N 3.15Å
307Y31.6Very low36.3Very low215 Ų215161.6 Ų161.684%0.84381%0.807SS**PPolyproline II helixtrans-72.2120.9168-82.7-91.7000109.9A305 T309A305-Y307 HydrophobicContact CB-CD2 4.5Å; A305-Y307 HydrophobicContact CB-CE2 4.27Å; A305-Y307 PolarHBondContact O-N 3.02Å; A305-Y307 VanDerWaalsContact O-N 3.16Å; Y307-T309 PolarHBondContact O-N 3.3Å
308K35.7Very low36.2Very low204 Ų204164.4 Ų164.489%0.88781%0.812SS**PPolyproline II helixtrans-67.3120.2166.4-76.9-178.5176.2177.30108.9H306 K310H306-K308 PolarHBondContact O-N 3.15Å; K308-K310 PolarHBondContact O-N 3.17Å
309T35.4Very low36.4Very low143 Ų143166.4 Ų166.488%0.87782%0.818SS**PPolyproline II helixtrans-60.8128.1173.12.10000110.5Y307 K311Y307-T309 PolarHBondContact O-N 3.3Å; T309-K311 PolarHBondContact O-N 2.76Å
310K37Very low36.5Very low202 Ų202167.3 Ų167.388%0.87882%0.818SS**PPolyproline II helixtrans-72.1120.3176.5-156.5176.5-175.8-177.20108.2K308 E312K308-K310 PolarHBondContact O-N 3.17Å; K310-E312 PolarHBondContact O-N 3.37Å
311K37.8Very low36.5Very low197 Ų197165.3 Ų165.386%0.85782%0.822SS**PPolyproline II helixtrans-68.5120167.3-88.9-178.9173.2-179.90108.3T309T309-K311 PolarHBondContact O-N 2.76Å
312E38.5Very low36.1Very low195 Ų195166.5 Ų166.591%0.91183%0.825SS**PPolyproline II helixtrans-65.3127.5162.7-70.9-178.6149.500108.7K310K310-E312 PolarHBondContact O-N 3.37Å
313I47.4Very low36.3Very low167 Ų167171.3 Ų171.386%0.85684%0.838SS**PPolyproline II helixtrans-97.4118.7163.3-64.1173.1000105.2
314K42.2Very low36.6Very low270 Ų270175.6 Ų175.6100%1.17485%0.847SS**  trans-84.70172-133-178-173.8-178.90109.6

Retrieved 314 of 314 residues in 170.7 ms (Link to these results)

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