A0A096NH35_PAPAN Loading...

HECT-type E3 ubiquitin transferase

AlphaFold DB , UniProt , Accession A0A096NH35, Species PAPAN (Papio anubis, Olive baboon), Gene HERC3, Length 1,050 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
1M86.9Confident79.4Confident21 Ų2120.8 Ų20.810%0.10311%0.111CC..  0140.80-176.2174.785.200108.8C28 I31 V39 F48 F375 V376 L377M1-C28 HydrophobicContact CE-CB 3.84Å; M1-C28 PolarHBondContact O-N 3.24Å; M1-I31 HydrophobicContact CB-CD1 3.49Å; M1-I31 VanDerWaalsContact CB-CD1 3.49Å; M1-I31 HydrophobicContact CB-CG2 4.12Å; M1-I31 HydrophobicContact CE-CD1 3.04Å; M1-I31 HydrophobicContact CE-CG1 4.5Å; M1-I31 HydrophobicContact CG-CD1 4.03Å; M1-I31 HydrophobicContact SD-CD1 3.47Å; M1-I31 WeakPolarHBondContact SD-CD1 3.36Å; M1-V39 HydrophobicContact SD-CG2 3.92Å; M1-F48 HydrophobicContact CE-CD1 4.18Å; M1-F48 HydrophobicContact CE-CE1 3.7Å; M1-F375 HydrophobicContact CE-CD1 3.75Å; M1-F375 HydrophobicContact CE-CE1 4.23Å; M1-F375 HydrophobicContact SD-CD1 4.26Å; M1-V376 CarbonylContact C-O 3.35Å; M1-V376 VanDerWaalsContact CA-O 3.29Å; M1-V376 WeakPolarHBondContact CA-O 3.29Å; M1-V376 WeakPolarHBondContact CG-O 3.37Å; M1-L377 HydrophobicContact CB-CD2 4.03Å; M1-L377 HydrophobicContact CG-CD2 3.88Å; M1-L377 HydrophobicContact SD-CD2 3.86Å
2L89.3Confident77.7Confident11 Ų1119.3 Ų19.36%0.05810%0.103CC..EExtended strand (participates in β ladder)trans-106.8146.1170.2-64.7168.6000109.4W4 P25 Q26 V27 W345 F375 V376L2-W4 HydrophobicContact CB-CZ3 4.4Å; L2-P25 HydrophobicContact CB-CB 4.26Å; L2-P25 HydrophobicContact CD1-CB 4.33Å; L2-Q26 CarbonylContact C-O 3.22Å; L2-Q26 WeakPolarHBondContact CA-O 3.35Å; L2-V27 HydrophobicContact CD2-CB 4.48Å; L2-V27 HydrophobicContact CD2-CG2 3.76Å; L2-W345 HydrophobicContact CD1-CH2 3.56Å; L2-W345 HydrophobicContact CD1-CZ2 4.46Å; L2-W345 HydrophobicContact CD1-CZ3 3.86Å; L2-F375 WeakPolarHBondContact O-CA 3.45Å; L2-V376 PolarHBondContact N-O 3.26Å; L2-V376 PolarHBondContact O-N 3.4Å
3C89.9Confident76.2Confident0 Ų018.1 Ų18.10%010%0.098CC..EExtended strand (participates in β ladder)trans-145.4155174.561.60000112.2P12 I14 Q26 T374 F375C3-P12 HydrophobicContact CB-CB 4.31Å; C3-I14 VanDerWaalsContact SG-CD1 3.53Å; C3-Q26 PolarHBondContact N-O 3.08Å; C3-Q26 PolarHBondContact O-N 2.67Å; C3-T374 VanDerWaalsContact CA-O 3.29Å; C3-T374 WeakPolarHBondContact CA-O 3.42Å; C3-F375 HydrophobicContact CB-CD1 3.38Å; C3-F375 HydrophobicContact CB-CE1 3.61Å; C3-F375 HydrophobicContact CB-CG 4.27Å
4W91.8Very high75.2Confident1 Ų117.2 Ų17.20%0.0049%0.094CC..EExtended strand (participates in β ladder)trans-160.4170178.162.490.2000110.8L2 V22 P25 G325 Q326 G328 V341 T374 V376L2-W4 HydrophobicContact CB-CZ3 4.4Å; W4-V22 HydrophobicContact CB-CG1 4.01Å; W4-P25 HydrophobicContact CD2-CB 4.34Å; W4-P25 HydrophobicContact CD2-CG 4.04Å; W4-P25 HydrophobicContact CE3-CB 3.57Å; W4-P25 HydrophobicContact CE3-CG 3.65Å; W4-P25 HydrophobicContact CH2-CG 4.18Å; W4-P25 HydrophobicContact CZ3-CB 3.77Å; W4-P25 HydrophobicContact CZ3-CG 3.74Å; W4-G325 VanDerWaalsContact CD1-O 3.28Å; W4-Q326 PolarHBondContact NE1-O 2.88Å; W4-G328 VanDerWaalsContact CD1-N 3.35Å; W4-G328 VanDerWaalsContact NE1-N 3.15Å; W4-V341 HydrophobicContact CH2-CG1 3.9Å; W4-V341 HydrophobicContact CZ2-CG1 3.75Å; W4-V341 HydrophobicContact CZ2-CG2 4.26Å; W4-T374 HydrophobicContact CD2-CG2 4.09Å; W4-T374 VanDerWaalsContact CE2-CB 3.49Å; W4-T374 HydrophobicContact CE3-CG2 4.39Å; W4-T374 HydrophobicContact CH2-CG2 3.56Å; W4-T374 HydrophobicContact CZ2-CG2 3.13Å; W4-T374 HydrophobicContact CZ3-CG2 4.15Å; W4-T374 PolarHBondContact N-O 3.16Å; W4-T374 VanDerWaalsContact N-O 3.08Å; W4-T374 PolarHBondContact O-N 3.02Å; W4-V376 HydrophobicContact CH2-CB 4.5Å; W4-V376 HydrophobicContact CH2-CG2 3.38Å; W4-V376 HydrophobicContact CZ3-CB 4.29Å; W4-V376 HydrophobicContact CZ3-CG2 3.58Å
5G89.4Confident73.9Confident0 Ų021.9 Ų21.90%013%0.128CC..EExtended strand (participates in β ladder)trans117-149.3-176.300000113.4V22 R324 D372G5-V22 PolarHBondContact N-O 2.75Å; G5-V22 PolarHBondContact O-N 3.26Å; G5-R324 CarbonylContact C-O 3.59Å; G5-R324 VanDerWaalsContact CA-O 3.3Å; G5-R324 WeakPolarHBondContact CA-O 3.43Å; G5-D372 WeakPolarHBondContact CA-O 3.43Å
6Y85.3Confident72.7Confident46 Ų4626.3 Ų26.318%0.1816%0.156CC..EExtended strand (participates in β ladder)trans-76132.8-176.2-163.2-130.1000112.8S8 P12 G20 I21 R324 D372Y6-S8 WeakPolarHBondContact CE1-OG 3.32Å; Y6-S8 WeakPolarHBondContact OH-CB 3.44Å; Y6-S8 PolarHBondContact OH-OG 2.63Å; Y6-P12 WeakPolarHBondContact O-CG 3.49Å; Y6-G20 VanDerWaalsContact CD2-O 3.25Å; Y6-G20 WeakPolarHBondContact CD2-O 3.46Å; Y6-I21 HydrophobicContact CD2-CG1 4.23Å; Y6-R324 HydrophobicContact CD2-CB 4.43Å; Y6-R324 HydrophobicContact CD2-CG 4.42Å; Y6-R324 PolarHBondContact N-O 3.06Å; Y6-R324 PolarHBondContact OH-NH1 2.9Å; Y6-D372 PolarHBondContact N-O 3.24Å
7W73.4Confident71.6Confident25 Ų2531.8 Ų31.810%0.09518%0.184CC..  trans-122.9-9.7-167.7-178.5-93.9000114.4L9 G10 P12 I14 Q19 G20 V22 N73W7-L9 PolarHBondContact O-N 3.4Å; W7-G10 PolarHBondContact O-N 3.24Å; W7-P12 HydrophobicContact CD2-CG 4.36Å; W7-P12 HydrophobicContact CE3-CB 3.66Å; W7-P12 HydrophobicContact CE3-CG 3.33Å; W7-P12 VanDerWaalsContact CZ3-C 3.5Å; W7-P12 HydrophobicContact CZ3-CB 3.45Å; W7-P12 VanDerWaalsContact CZ3-CB 3.45Å; W7-P12 HydrophobicContact CZ3-CG 3.57Å; W7-I14 HydrophobicContact CE3-CB 4.04Å; W7-I14 HydrophobicContact CE3-CD1 3.84Å; W7-I14 HydrophobicContact CE3-CG1 4.18Å; W7-I14 VanDerWaalsContact CH2-CA 3.44Å; W7-I14 HydrophobicContact CH2-CB 3.52Å; W7-I14 HydrophobicContact CH2-CG1 4.25Å; W7-I14 WeakPolarHBondContact CH2-O 3.37Å; W7-I14 HydrophobicContact CZ2-CB 4.1Å; W7-I14 WeakPolarHBondContact CZ2-O 2.91Å; W7-I14 HydrophobicContact CZ3-CB 3.36Å; W7-I14 HydrophobicContact CZ3-CD1 3.79Å; W7-I14 HydrophobicContact CZ3-CG1 3.6Å; W7-Q19 VanDerWaalsContact CD1-O 3.27Å; W7-G20 PolarHBondContact N-O 3.01Å; W7-V22 HydrophobicContact CB-CG2 4.35Å; W7-N73 HydrophobicContact CH2-CB 4.23Å; W7-N73 HydrophobicContact CZ2-CB 3.86Å
8S69.8Low70.4Confident60 Ų6040.4 Ų40.442%0.4223%0.228SC..THydrogen-bonded Turntrans-63.1-17.5-164.777.40000116Y6Y6-S8 WeakPolarHBondContact CE1-OG 3.32Å; Y6-S8 WeakPolarHBondContact OH-CB 3.44Å; Y6-S8 PolarHBondContact OH-OG 2.63Å
9L69.3Low69.9Low59 Ų5945.7 Ų45.731%0.30925%0.251SS..THydrogen-bonded Turntrans-114.911179.2-50.1168.2000111.8W7 Q11 N44 G59 L60W7-L9 PolarHBondContact O-N 3.4Å; L9-Q11 HydrophobicContact CB-CG 4.28Å; L9-N44 HydrophobicContact CD1-CB 3.89Å; L9-G59 CarbonylContact O-C 3.58Å; L9-G59 WeakPolarHBondContact O-CA 3.48Å; L9-L60 HydrophobicContact CD1-CB 4.32Å; L9-L60 HydrophobicContact CD1-CD2 4.46Å
10G62.6Low70.1Confident5 Ų545 Ų455%0.05225%0.254CS..SBendtrans80.813.6176.100000115.6W7 G13 C58 N73W7-G10 PolarHBondContact O-N 3.24Å; G10-G13 PolarHBondContact O-N 2.99Å; G10-C58 PolarHBondContact O-SG 2.98Å; G10-N73 WeakPolarHBondContact O-CA 3.36Å
11Q65.4Low70.8Confident1 Ų145.7 Ų45.71%0.00526%0.257CS..THydrogen-bonded Turntrans-62.5-30.9-171.5-48.495.1-42.900115.6L9 N44 S46 C58 Q373L9-Q11 HydrophobicContact CB-CG 4.28Å; Q11-N44 VanDerWaalsContact CG-C 3.44Å; Q11-N44 WeakPolarHBondContact CG-O 3.17Å; Q11-S46 WeakPolarHBondContact O-CB 3.37Å; Q11-S46 PolarHBondContact O-OG 3.32Å; Q11-C58 PolarHBondContact O-SG 3.29Å; Q11-C58 VanDerWaalsContact O-SG 3.4Å; Q11-Q373 VanDerWaalsContact C-OE1 3.23Å; Q11-Q373 VanDerWaalsContact CB-CD 3.4Å; Q11-Q373 PolarHBondContact O-OE1 3.21Å
12P59.2Low70.8Confident2 Ų245.2 Ų45.21%0.01326%0.255CS..THydrogen-bonded Turntrans-85.8-0.7-179.9-8.423.6000116.5C3 Y6 W7 I14 Q373 F375C3-P12 HydrophobicContact CB-CB 4.31Å; Y6-P12 WeakPolarHBondContact O-CG 3.49Å; W7-P12 HydrophobicContact CD2-CG 4.36Å; W7-P12 HydrophobicContact CE3-CB 3.66Å; W7-P12 HydrophobicContact CE3-CG 3.33Å; W7-P12 VanDerWaalsContact CZ3-C 3.5Å; W7-P12 HydrophobicContact CZ3-CB 3.45Å; W7-P12 VanDerWaalsContact CZ3-CB 3.45Å; W7-P12 HydrophobicContact CZ3-CG 3.57Å; P12-I14 PolarHBondContact O-N 2.95Å; P12-Q373 HydrophobicContact CG-CG 4.25Å; P12-F375 HydrophobicContact CB-CE1 4.04Å; P12-F375 HydrophobicContact CB-CZ 4.08Å
13G58.5Low70.8Confident4 Ų445.6 Ų45.64%0.04126%0.26CS..  trans77.57.4172.200000118.4G10 N73G10-G13 PolarHBondContact O-N 2.99Å; G13-N73 CarbonylContact C-O 3.51Å; G13-N73 WeakPolarHBondContact CA-O 3.21Å
14I62.1Low70.8Confident6 Ų649.3 Ų49.33%0.03128%0.277CS..  trans-74.5132.3174.4-53.7163.6000112C3 W7 P12 Q26C3-I14 VanDerWaalsContact SG-CD1 3.53Å; W7-I14 HydrophobicContact CE3-CB 4.04Å; W7-I14 HydrophobicContact CE3-CD1 3.84Å; W7-I14 HydrophobicContact CE3-CG1 4.18Å; W7-I14 VanDerWaalsContact CH2-CA 3.44Å; W7-I14 HydrophobicContact CH2-CB 3.52Å; W7-I14 HydrophobicContact CH2-CG1 4.25Å; W7-I14 WeakPolarHBondContact CH2-O 3.37Å; W7-I14 HydrophobicContact CZ2-CB 4.1Å; W7-I14 WeakPolarHBondContact CZ2-O 2.91Å; W7-I14 HydrophobicContact CZ3-CB 3.36Å; W7-I14 HydrophobicContact CZ3-CD1 3.79Å; W7-I14 HydrophobicContact CZ3-CG1 3.6Å; P12-I14 PolarHBondContact O-N 2.95Å; I14-Q26 HydrophobicContact CD1-CB 4.22Å
15S55.7Low70.7Confident87 Ų8750.6 Ų50.661%0.60829%0.286SS*.  trans-86.7-6.8-178.155.70000115
16T55.5Low70.6Confident93 Ų9353.6 Ų53.657%0.57130%0.3SS*.SBendtrans-141.596.5-165.244.30000113.2
17N53.4Low70.6Confident119 Ų11956.1 Ų56.164%0.63632%0.32SS*.  trans162.1148.3143.6-86.9-31.3000112.5Q19N17-Q19 VanDerWaalsContact C-N 3.31Å; N17-Q19 PolarHBondContact O-N 3.35Å
18L50.5Low70.7Confident188 Ų18855 Ų5598%0.98432%0.316SS*.SBendtrans-79.97.3-177.2-83.7146.7000115
19Q59.9Low70.5Confident140 Ų14053.8 Ų53.865%0.65431%0.312SS*.  trans-100125.8-176.5-74.6-177.2-1500111.6W7 N17 I21W7-Q19 VanDerWaalsContact CD1-O 3.27Å; N17-Q19 VanDerWaalsContact C-N 3.31Å; N17-Q19 PolarHBondContact O-N 3.35Å; Q19-I21 VanDerWaalsContact C-N 3.28Å; Q19-I21 PolarHBondContact O-N 3.22Å
20G73.6Confident70.3Confident31 Ų3153 Ų5332%0.3231%0.306SS..SBendtrans-75.7-6.5-179.100000115.6Y6 W7Y6-G20 VanDerWaalsContact CD2-O 3.25Å; Y6-G20 WeakPolarHBondContact CD2-O 3.46Å; W7-G20 PolarHBondContact N-O 3.01Å
21I84.9Confident70.1Confident60 Ų6054 Ų5431%0.30831%0.31SS..EExtended strand (participates in β ladder)trans-132.7124.6179.4-68.3170.6000108.6Y6 Q19 T332Y6-I21 HydrophobicContact CD2-CG1 4.23Å; Q19-I21 VanDerWaalsContact C-N 3.28Å; Q19-I21 PolarHBondContact O-N 3.22Å; I21-T332 HydrophobicContact CG2-CG2 3.98Å
22V87.6Confident69.8Low11 Ų1158.2 Ų58.27%0.06734%0.34CS..EExtended strand (participates in β ladder)trans-111.9104.8175.81790000108.1W4 G5 W7 E24 Q26W4-V22 HydrophobicContact CB-CG1 4.01Å; G5-V22 PolarHBondContact N-O 2.75Å; G5-V22 PolarHBondContact O-N 3.26Å; W7-V22 HydrophobicContact CB-CG2 4.35Å; V22-E24 WeakPolarHBondContact CG1-O 3.01Å; V22-Q26 HydrophobicContact CG1-CB 4.44Å; V22-Q26 HydrophobicContact CG1-CG 3.81Å
23A88.8Confident69.8Low19 Ų1965.6 Ų65.616%0.15738%0.38CS..EExtended strand (participates in β ladder)trans-92.5-2-17600000114.3G328 T329 G330A23-G328 CarbonylContact O-C 3.47Å; A23-G328 WeakPolarHBondContact O-CA 3.12Å; A23-T329 PolarHBondContact O-N 2.9Å; A23-G330 WeakPolarHBondContact O-CA 3.47Å; A23-G330 PolarHBondContact O-N 2.83Å
24E90.1Very high70.5Confident79 Ų7970.7 Ų70.737%0.36940%0.398SS..EExtended strand (participates in β ladder)trans-129.8145.8178.9-62.7-171.2-174.100110.2V22 Q26 K342V22-E24 WeakPolarHBondContact CG1-O 3.01Å; E24-Q26 PolarHBondContact O-N 3.23Å; E24-K342 VanDerWaalsContact CD-NZ 3.3Å; E24-K342 HydrophobicContact CG-CD 4.11Å; E24-K342 IonicContact OE1-NZ 2.97Å; E24-K342 PolarHBondContact OE1-NZ 3.38Å; E24-K342 IonicContact OE2-NZ 2.63Å; E24-K342 PolarHBondContact OE2-NZ 2.63Å
25P90.6Very high71.5Confident28 Ų2874.1 Ų74.118%0.18242%0.422CS..EExtended strand (participates in β ladder)trans-56.9124.8177.1-26.536.4000112.9L2 W4 V341 K342 W345L2-P25 HydrophobicContact CB-CB 4.26Å; L2-P25 HydrophobicContact CD1-CB 4.33Å; W4-P25 HydrophobicContact CD2-CB 4.34Å; W4-P25 HydrophobicContact CD2-CG 4.04Å; W4-P25 HydrophobicContact CE3-CB 3.57Å; W4-P25 HydrophobicContact CE3-CG 3.65Å; W4-P25 HydrophobicContact CH2-CG 4.18Å; W4-P25 HydrophobicContact CZ3-CB 3.77Å; W4-P25 HydrophobicContact CZ3-CG 3.74Å; P25-V341 HydrophobicContact CG-CG1 3.63Å; P25-K342 WeakPolarHBondContact CD-O 3.34Å; P25-K342 WeakPolarHBondContact CG-O 3.32Å; P25-W345 HydrophobicContact CG-CZ2 4.22Å
26Q87.3Confident73.1Confident62 Ų6270.4 Ų70.429%0.2940%0.396SS..EExtended strand (participates in β ladder)trans-118.9151.2177.1-68.2-172.51.500111.8L2 C3 I14 V22 E24 C28L2-Q26 CarbonylContact C-O 3.22Å; L2-Q26 WeakPolarHBondContact CA-O 3.35Å; C3-Q26 PolarHBondContact N-O 3.08Å; C3-Q26 PolarHBondContact O-N 2.67Å; I14-Q26 HydrophobicContact CD1-CB 4.22Å; V22-Q26 HydrophobicContact CG1-CB 4.44Å; V22-Q26 HydrophobicContact CG1-CG 3.81Å; E24-Q26 PolarHBondContact O-N 3.23Å; Q26-C28 PolarHBondContact O-N 3Å
27V83.5Confident74.8Confident99 Ų9969.3 Ų69.360%0.638%0.383SS*.EExtended strand (participates in β ladder)trans-73.9124.8176.8-1790000109.5L2 G29L2-V27 HydrophobicContact CD2-CB 4.48Å; L2-V27 HydrophobicContact CD2-CG2 3.76Å; V27-G29 PolarHBondContact O-N 3.46Å
28C76.3Confident76.6Confident2 Ų265.1 Ų65.11%0.01436%0.36CS..  trans-79112.8173.9-1760000110.4M1 Q26 F30 I31M1-C28 HydrophobicContact CE-CB 3.84Å; M1-C28 PolarHBondContact O-N 3.24Å; Q26-C28 PolarHBondContact O-N 3Å; C28-F30 VanDerWaalsContact C-N 3.29Å; C28-F30 PolarHBondContact O-N 3.27Å; C28-I31 HydrophobicContact CB-CD1 4.1Å; C28-I31 PolarHBondContact O-N 2.99Å
29G64.9Low78.7Confident34 Ų3456.5 Ų56.535%0.35132%0.315SS..G310 helixtrans-67-20.6-173.400000115.6V27 I31 S32V27-G29 PolarHBondContact O-N 3.46Å; G29-I31 PolarHBondContact O-N 2.86Å; G29-I31 VanDerWaalsContact O-N 3.15Å; G29-S32 PolarHBondContact O-OG 3.36Å
30F65.7Low80.3Confident42 Ų4250.3 Ų50.318%0.18429%0.288CS..G310 helixtrans-59.6-21.7175.1177.3-108.6000113.1C28 Y56 P75C28-F30 VanDerWaalsContact C-N 3.29Å; C28-F30 PolarHBondContact O-N 3.27Å; F30-Y56 HydrophobicContact CE1-CG 4.35Å; F30-Y56 HydrophobicContact CE2-CD1 4.05Å; F30-Y56 HydrophobicContact CE2-CE1 4.47Å; F30-Y56 AromaticContact CZ-CD1 3.5Å; F30-Y56 HydrophobicContact CZ-CD1 3.5Å; F30-Y56 VanDerWaalsContact CZ-CD1 3.5Å; F30-Y56 HydrophobicContact CZ-CD2 4.34Å; F30-Y56 HydrophobicContact CZ-CE1 4.07Å; F30-Y56 AromaticContact CZ-CG 3.7Å; F30-Y56 HydrophobicContact CZ-CG 3.7Å; F30-P75 HydrophobicContact CB-CG 4.16Å; F30-P75 HydrophobicContact CD1-CB 4.03Å; F30-P75 HydrophobicContact CD1-CG 3.89Å; F30-P75 HydrophobicContact CD2-CB 3.88Å; F30-P75 HydrophobicContact CD2-CG 3.88Å; F30-P75 HydrophobicContact CE1-CB 3.89Å; F30-P75 HydrophobicContact CE1-CG 4.28Å; F30-P75 HydrophobicContact CE2-CB 3.73Å; F30-P75 HydrophobicContact CE2-CG 4.27Å; F30-P75 HydrophobicContact CG-CB 4.04Å; F30-P75 HydrophobicContact CG-CG 3.7Å; F30-P75 HydrophobicContact CZ-CB 3.76Å; F30-P75 HydrophobicContact CZ-CG 4.47Å
31I59Low81.2Confident26 Ų2649.7 Ų49.713%0.13328%0.278CS..G310 helixtrans-104.87.8-164-67165000112.5M1 C28 G29 D33 V36M1-I31 HydrophobicContact CB-CD1 3.49Å; M1-I31 VanDerWaalsContact CB-CD1 3.49Å; M1-I31 HydrophobicContact CB-CG2 4.12Å; M1-I31 HydrophobicContact CE-CD1 3.04Å; M1-I31 HydrophobicContact CE-CG1 4.5Å; M1-I31 HydrophobicContact CG-CD1 4.03Å; M1-I31 HydrophobicContact SD-CD1 3.47Å; M1-I31 WeakPolarHBondContact SD-CD1 3.36Å; C28-I31 HydrophobicContact CB-CD1 4.1Å; C28-I31 PolarHBondContact O-N 2.99Å; G29-I31 PolarHBondContact O-N 2.86Å; G29-I31 VanDerWaalsContact O-N 3.15Å; I31-D33 PolarHBondContact O-N 3.4Å; I31-V36 HydrophobicContact CD1-CG2 3.65Å; I31-V36 HydrophobicContact CG1-CG2 3.75Å; I31-V36 HydrophobicContact CG2-CG2 4.44Å
32S59Low81.4Confident91 Ų9147 Ų4764%0.63627%0.265SS*.SBendtrans-58-33.5178.9-44.90000112.2G29G29-S32 PolarHBondContact O-OG 3.36Å
33D58.3Low81.3Confident157 Ų15746.6 Ų46.684%0.8426%0.263SS*.SBendtrans-121.51.9-171.7-57.5-32.4000114.5I31I31-D33 PolarHBondContact O-N 3.4Å
34R73.3Confident81.3Confident110 Ų11047.5 Ų47.542%0.41527%0.265SS..  trans-136.3139.2-171.9-62-175.5178.6-146.32.7112.7L50 E54 Y56R34-L50 HydrophobicContact CB-CD1 4.39Å; R34-L50 HydrophobicContact CB-CD2 4.47Å; R34-E54 IonicContact NH1-OE2 3.04Å; R34-Y56 PolarHBondContact NH1-OH 3.03Å
35S83.9Confident81.4Confident78 Ų7843.7 Ų43.755%0.54525%0.248SC..  trans-93109.6-177.9-164.10000111.5L50 E51S35-L50 WeakPolarHBondContact O-CA 3.39Å; S35-E51 PolarHBondContact O-N 3.37Å; S35-E51 WeakPolarHBondContact OG-CG 3.19Å
36V89.3Confident81.5Confident9 Ų942.4 Ų42.46%0.05524%0.239CC..EExtended strand (participates in β ladder)trans-82130.3175.3179.10000109.7I31 V39 L50 L377I31-V36 HydrophobicContact CD1-CG2 3.65Å; I31-V36 HydrophobicContact CG1-CG2 3.75Å; I31-V36 HydrophobicContact CG2-CG2 4.44Å; V36-V39 HydrophobicContact CG1-CG2 3.84Å; V36-L50 HydrophobicContact CB-CD2 4.43Å; V36-L50 HydrophobicContact CG2-CD2 3.79Å; V36-L377 HydrophobicContact CB-CD2 3.92Å; V36-L377 HydrophobicContact CG1-CD2 4.03Å; V36-L377 WeakPolarHBondContact O-CD1 3.04Å
37K90.4Very high81.8Confident70 Ų7039.5 Ų39.530%0.30423%0.226SC..EExtended strand (participates in β ladder)trans-91.9-48.6176.7-177.1-174.2178.2-163.50111.8L49 E51 I87 L377K37-L49 HydrophobicContact CD-CD2 4.16Å; K37-L49 PolarHBondContact N-O 2.7Å; K37-E51 HydrophobicContact CB-CG 4.18Å; K37-I87 PolarHBondContact NZ-O 3.46Å; K37-L377 WeakPolarHBondContact O-CD1 3.23Å
38E92.6Very high82.3Confident32 Ų3234.8 Ų34.815%0.1520%0.197CC..EExtended strand (participates in β ladder)trans-144150-174.3177.5174.6-150.300111.2L49 H88 V89 F368E38-L49 HydrophobicContact CB-CB 4.16Å; E38-L49 HydrophobicContact CB-CD2 4.28Å; E38-L49 PolarHBondContact N-O 3.16Å; E38-L49 PolarHBondContact O-N 2.93Å; E38-H88 IonicContact OE1-CE1 3.6Å; E38-H88 PolarHBondContact OE1-CE1 3.46Å; E38-H88 IonicContact OE1-ND1 2.83Å; E38-H88 PolarHBondContact OE1-ND1 3.46Å; E38-H88 IonicContact OE1-NE2 3.15Å; E38-H88 WeakPolarHBondContact OE2-CA 3.44Å; E38-H88 IonicContact OE2-CE1 3.02Å; E38-H88 IonicContact OE2-CG 2.85Å; E38-H88 IonicContact OE2-ND1 3.99Å; E38-H88 PolarHBondContact OE2-ND1 3.25Å; E38-V89 HydrophobicContact CG-CG2 4.13Å; E38-V89 PolarHBondContact OE2-N 2.89Å; E38-F368 HydrophobicContact CB-CE1 4.43Å; E38-F368 HydrophobicContact CG-CE1 3.97Å
39V93.4Very high83.2Confident6 Ų634.7 Ų34.74%0.03620%0.196CC..EExtended strand (participates in β ladder)trans-127.5124.3172.5-1720000109.2M1 V36 V47 F48 F368 F375M1-V39 HydrophobicContact SD-CG2 3.92Å; V36-V39 HydrophobicContact CG1-CG2 3.84Å; V39-V47 WeakPolarHBondContact CA-O 3.48Å; V39-F48 HydrophobicContact CB-CD1 4.5Å; V39-F48 HydrophobicContact CG1-CD1 3.95Å; V39-F48 HydrophobicContact CG1-CE1 3.86Å; V39-F48 HydrophobicContact CG2-CD1 3.87Å; V39-F48 HydrophobicContact CG2-CE1 4.28Å; V39-F368 HydrophobicContact CB-CB 4.42Å; V39-F368 HydrophobicContact CB-CD2 4.46Å; V39-F368 HydrophobicContact CB-CG 4.23Å; V39-F368 WeakPolarHBondContact O-CD1 3.14Å; V39-F375 HydrophobicContact CB-CG 4.5Å; V39-F375 HydrophobicContact CG1-CB 4.46Å; V39-F375 HydrophobicContact CG1-CD1 4.31Å; V39-F375 HydrophobicContact CG1-CD2 3.84Å; V39-F375 HydrophobicContact CG1-CE2 4.13Å; V39-F375 HydrophobicContact CG1-CG 3.94Å; V39-F375 HydrophobicContact CG1-CZ 4.44Å; V39-F375 HydrophobicContact CG2-CB 4.45Å
40A93.9Very high84.5Confident11 Ų1133.2 Ų33.29%0.09118%0.181CC..EExtended strand (participates in β ladder)trans-110139.8169.500000109.8V47 V89 C91A40-V47 HydrophobicContact CB-CB 4.47Å; A40-V47 PolarHBondContact N-O 3.15Å; A40-V47 PolarHBondContact O-N 3.34Å; A40-V89 HydrophobicContact CB-CB 4.39Å; A40-V89 HydrophobicContact CB-CG2 3.88Å; A40-C91 HydrophobicContact CB-CB 4.28Å
41C91.5Very high85.7Confident17 Ų1736.5 Ų36.512%0.11520%0.197CC..EExtended strand (participates in β ladder)trans-124.5122.7-174.9-48.60000109.5F375C41-F375 VanDerWaalsContact SG-CD2 3.53Å; C41-F375 WeakPolarHBondContact SG-CE2 3.34Å
42G89.3Confident87.2Confident3 Ų339.7 Ų39.73%0.03121%0.214CC..  trans-86.5-166.9167.300000111.9N44 H45 G92G42-N44 PolarHBondContact O-N 3.26Å; G42-H45 PolarHBondContact N-O 2.82Å; G42-G92 WeakPolarHBondContact CA-O 3.13Å
43G86.8Confident88.7Confident3 Ų335.6 Ų35.63%0.03119%0.186CC..SBendtrans-62.8-4417900000112.3E93G43-E93 PolarHBondContact N-O 2.75Å
44N89.3Confident90.4Very high38 Ų3831.1 Ų31.120%0.20316%0.16CC..SBendtrans-138.520.7-175.7-69.5-58.6000114.2L9 Q11 G42 L60L9-N44 HydrophobicContact CD1-CB 3.89Å; Q11-N44 VanDerWaalsContact CG-C 3.44Å; Q11-N44 WeakPolarHBondContact CG-O 3.17Å; G42-N44 PolarHBondContact O-N 3.26Å; N44-L60 HydrophobicContact CB-CB 3.88Å; N44-L60 HydrophobicContact CB-CD2 3.92Å; N44-L60 WeakPolarHBondContact O-CB 2.98Å; N44-L60 PolarHBondContact O-N 3.4Å
45H92Very high91.5Very high0 Ų026 Ų260%014%0.141CC..EExtended strand (participates in β ladder)trans-145.8159.317668.4-70.7000110.8G42 C58 Q65 L66 S96G42-H45 PolarHBondContact N-O 2.82Å; H45-C58 WeakPolarHBondContact CA-O 3.2Å; H45-Q65 HydrophobicContact CB-CG 4.18Å; H45-L66 HydrophobicContact CB-CD2 3.71Å; H45-S96 PolarHBondContact NE2-OG 3.06Å
46S91.9Very high91.9Very high0 Ų023 Ų230%012%0.118CC..EExtended strand (participates in β ladder)trans-130143.6177.3-59.70000110.1Q11 T57 C58 Q373Q11-S46 WeakPolarHBondContact O-CB 3.37Å; Q11-S46 PolarHBondContact O-OG 3.32Å; S46-T57 VanDerWaalsContact O-CA 3.27Å; S46-T57 WeakPolarHBondContact O-CA 3.37Å; S46-C58 PolarHBondContact N-O 3.17Å; S46-C58 PolarHBondContact O-N 2.82Å; S46-C58 VanDerWaalsContact O-N 3.09Å; S46-Q373 PolarHBondContact OG-OE1 2.96Å
47V93.8Very high92.1Very high1 Ų122.5 Ų22.51%0.00612%0.115CC..EExtended strand (participates in β ladder)trans-120.8125.6178.6-179.60000108.1V39 A40 V55 Y56 T57 V89 C91V39-V47 WeakPolarHBondContact CA-O 3.48Å; A40-V47 HydrophobicContact CB-CB 4.47Å; A40-V47 PolarHBondContact N-O 3.15Å; A40-V47 PolarHBondContact O-N 3.34Å; V47-V55 HydrophobicContact CG1-CG1 3.5Å; V47-Y56 CarbonylContact C-O 3.54Å; V47-Y56 WeakPolarHBondContact CA-O 3.32Å; V47-T57 HydrophobicContact CB-CG2 4.31Å; V47-T57 HydrophobicContact CG1-CG2 4.14Å; V47-T57 HydrophobicContact CG2-CG2 3.81Å; V47-V89 HydrophobicContact CG1-CB 4.04Å; V47-V89 HydrophobicContact CG1-CG1 4Å; V47-V89 HydrophobicContact CG1-CG2 4.17Å; V47-C91 WeakPolarHBondContact CG2-SG 3.4Å
48F93.4Very high92.1Very high0 Ų019.2 Ų19.20%010%0.101CC..EExtended strand (participates in β ladder)trans-111.6121.4-180-53.1-85.5000108.9M1 V39 Y56 P75 F375M1-F48 HydrophobicContact CE-CD1 4.18Å; M1-F48 HydrophobicContact CE-CE1 3.7Å; V39-F48 HydrophobicContact CB-CD1 4.5Å; V39-F48 HydrophobicContact CG1-CD1 3.95Å; V39-F48 HydrophobicContact CG1-CE1 3.86Å; V39-F48 HydrophobicContact CG2-CD1 3.87Å; V39-F48 HydrophobicContact CG2-CE1 4.28Å; F48-Y56 PolarHBondContact N-O 3.09Å; F48-Y56 PolarHBondContact O-N 3.4Å; F48-P75 HydrophobicContact CD2-CB 4.13Å; F48-P75 HydrophobicContact CD2-CG 4.26Å; F48-P75 HydrophobicContact CE2-CB 4.25Å; F48-P75 HydrophobicContact CE2-CG 3.94Å; F48-F375 HydrophobicContact CE1-CD1 4.36Å; F48-F375 AromaticContact CE1-CE1 3.97Å; F48-F375 HydrophobicContact CE1-CE1 3.97Å; F48-F375 HydrophobicContact CZ-CE1 4.2Å
49L94.7Very high92Very high0 Ų017.7 Ų17.70%09%0.094CC..EExtended strand (participates in β ladder)trans-98.7126.7172.2176.262.7000109.2K37 E38 V55 I86 I87 V89K37-L49 HydrophobicContact CD-CD2 4.16Å; K37-L49 PolarHBondContact N-O 2.7Å; E38-L49 HydrophobicContact CB-CB 4.16Å; E38-L49 HydrophobicContact CB-CD2 4.28Å; E38-L49 PolarHBondContact N-O 3.16Å; E38-L49 PolarHBondContact O-N 2.93Å; L49-V55 HydrophobicContact CD1-CG2 4.02Å; L49-I86 HydrophobicContact CD1-CB 3.89Å; L49-I86 HydrophobicContact CD1-CG2 3.82Å; L49-I87 VanDerWaalsContact CD2-C 3.5Å; L49-I87 WeakPolarHBondContact CD2-O 3.28Å; L49-V89 HydrophobicContact CB-CG1 4.3Å; L49-V89 HydrophobicContact CB-CG2 3.99Å
50L92.8Very high91.8Very high3 Ų318.8 Ų18.82%0.01610%0.099CC..EExtended strand (participates in β ladder)trans-89.4162176.2-59.1-170.8000111.6R34 S35 V36 D52 G53 E54 Y56R34-L50 HydrophobicContact CB-CD1 4.39Å; R34-L50 HydrophobicContact CB-CD2 4.47Å; S35-L50 WeakPolarHBondContact O-CA 3.39Å; V36-L50 HydrophobicContact CB-CD2 4.43Å; V36-L50 HydrophobicContact CG2-CD2 3.79Å; L50-D52 WeakPolarHBondContact CB-OD1 3.32Å; L50-D52 PolarHBondContact O-N 3.34Å; L50-G53 PolarHBondContact O-N 3.28Å; L50-G53 VanDerWaalsContact O-N 3.08Å; L50-E54 HydrophobicContact CD1-CB 4.32Å; L50-E54 PolarHBondContact N-O 3.26Å; L50-Y56 HydrophobicContact CD1-CD2 3.81Å; L50-Y56 HydrophobicContact CD1-CE2 3.52Å; L50-Y56 HydrophobicContact CG-CD2 4.05Å; L50-Y56 HydrophobicContact CG-CE2 4.22Å
51E90.3Very high91.7Very high112 Ų11219.2 Ų19.252%0.52310%0.1SC..THydrogen-bonded Turntrans-64.9-22.7178.6-67.3-73.6-169.600113.6S35 K37 G53S35-E51 PolarHBondContact O-N 3.37Å; S35-E51 WeakPolarHBondContact OG-CG 3.19Å; K37-E51 HydrophobicContact CB-CG 4.18Å; E51-G53 VanDerWaalsContact C-N 3.28Å
52D90.6Very high91.7Very high93 Ų9323 Ų2350%0.49712%0.122SC..THydrogen-bonded Turntrans-82.6-3.6174.457.114.5000113.3L50 E54 H85L50-D52 WeakPolarHBondContact CB-OD1 3.32Å; L50-D52 PolarHBondContact O-N 3.34Å; D52-E54 WeakPolarHBondContact OD1-CB 3.37Å; D52-E54 PolarHBondContact OD1-N 3.12Å; D52-H85 PolarHBondContact O-CE1 2.94Å; D52-H85 PolarHBondContact O-ND1 2.95Å
53G92.4Very high91.9Very high4 Ų426.9 Ų26.94%0.04114%0.138CC..SBendtrans88.14-18000000114.8L50 E51 I86L50-G53 PolarHBondContact O-N 3.28Å; L50-G53 VanDerWaalsContact O-N 3.08Å; E51-G53 VanDerWaalsContact C-N 3.28Å; G53-I86 WeakPolarHBondContact CA-O 3.28Å; G53-I86 WeakPolarHBondContact O-CB 3.47Å; G53-I86 PolarHBondContact O-N 2.98Å
54E93.8Very high92.1Very high63 Ų6327.1 Ų27.129%0.29414%0.141SC..  trans-73.1145.4172.5-63.4-166.7151.400111.9R34 L50 D52 Y56 Q77R34-E54 IonicContact NH1-OE2 3.04Å; L50-E54 HydrophobicContact CD1-CB 4.32Å; L50-E54 PolarHBondContact N-O 3.26Å; D52-E54 WeakPolarHBondContact OD1-CB 3.37Å; D52-E54 PolarHBondContact OD1-N 3.12Å; E54-Y56 HydrophobicContact CB-CD2 4.43Å; E54-Y56 HydrophobicContact CB-CE2 3.76Å; E54-Y56 VanDerWaalsContact OE2-CE2 3.29Å; E54-Y56 WeakPolarHBondContact OE2-CE2 3.33Å; E54-Y56 PolarHBondContact OE2-OH 3.39Å; E54-Q77 PolarHBondContact OE1-NE2 3.34Å; E54-Q77 PolarHBondContact OE2-NE2 2.85Å
55V94.7Very high92.3Very high4 Ų425.3 Ų25.32%0.02413%0.131CC..EExtended strand (participates in β ladder)trans-114.6127.5-179.5-174.60000110.8V47 L49 T57 Q77 I78 L81 I86 V89V47-V55 HydrophobicContact CG1-CG1 3.5Å; L49-V55 HydrophobicContact CD1-CG2 4.02Å; V55-T57 HydrophobicContact CG1-CG2 4.49Å; V55-Q77 WeakPolarHBondContact O-CA 3.33Å; V55-I78 HydrophobicContact CB-CD1 4.25Å; V55-I78 HydrophobicContact CG1-CD1 3.69Å; V55-I78 HydrophobicContact CG1-CG1 4.3Å; V55-I78 PolarHBondContact O-N 3.46Å; V55-L81 HydrophobicContact CG2-CD1 4.47Å; V55-I86 HydrophobicContact CG2-CB 3.74Å; V55-I86 HydrophobicContact CG2-CG1 3.67Å; V55-I86 HydrophobicContact CG2-CG2 3.79Å; V55-V89 HydrophobicContact CG1-CG1 4.38Å; V55-V89 HydrophobicContact CG2-CG1 4.29Å
56Y92.9Very high92.4Very high13 Ų1325.3 Ų25.35%0.05113%0.131CC..EExtended strand (participates in β ladder)trans-118.6145.1176.6-71.5-103.8000110.9F30 R34 V47 F48 L50 E54 E76 Q77F30-Y56 HydrophobicContact CE1-CG 4.35Å; F30-Y56 HydrophobicContact CE2-CD1 4.05Å; F30-Y56 HydrophobicContact CE2-CE1 4.47Å; F30-Y56 AromaticContact CZ-CD1 3.5Å; F30-Y56 HydrophobicContact CZ-CD1 3.5Å; F30-Y56 VanDerWaalsContact CZ-CD1 3.5Å; F30-Y56 HydrophobicContact CZ-CD2 4.34Å; F30-Y56 HydrophobicContact CZ-CE1 4.07Å; F30-Y56 AromaticContact CZ-CG 3.7Å; F30-Y56 HydrophobicContact CZ-CG 3.7Å; R34-Y56 PolarHBondContact NH1-OH 3.03Å; V47-Y56 CarbonylContact C-O 3.54Å; V47-Y56 WeakPolarHBondContact CA-O 3.32Å; F48-Y56 PolarHBondContact N-O 3.09Å; F48-Y56 PolarHBondContact O-N 3.4Å; L50-Y56 HydrophobicContact CD1-CD2 3.81Å; L50-Y56 HydrophobicContact CD1-CE2 3.52Å; L50-Y56 HydrophobicContact CG-CD2 4.05Å; L50-Y56 HydrophobicContact CG-CE2 4.22Å; E54-Y56 HydrophobicContact CB-CD2 4.43Å; E54-Y56 HydrophobicContact CB-CE2 3.76Å; E54-Y56 VanDerWaalsContact OE2-CE2 3.29Å; E54-Y56 WeakPolarHBondContact OE2-CE2 3.33Å; E54-Y56 PolarHBondContact OE2-OH 3.39Å; Y56-E76 CarbonylContact C-O 3.53Å; Y56-E76 WeakPolarHBondContact CA-O 3.36Å; Y56-Q77 HydrophobicContact CD1-CB 4.09Å; Y56-Q77 VanDerWaalsContact CD1-N 3.28Å; Y56-Q77 HydrophobicContact CE1-CB 3.51Å; Y56-Q77 HydrophobicContact CE1-CG 4.24Å; Y56-Q77 HydrophobicContact CE2-CB 4.26Å; Y56-Q77 HydrophobicContact CE2-CG 4.09Å; Y56-Q77 PolarHBondContact OH-OE1 2.77Å
57T93.2Very high92.4Very high0 Ų025.6 Ų25.60%013%0.134CC..EExtended strand (participates in β ladder)trans-136.6154177.278.50000112.7S46 V47 V55 L66 H68 P75 E76 I78S46-T57 VanDerWaalsContact O-CA 3.27Å; S46-T57 WeakPolarHBondContact O-CA 3.37Å; V47-T57 HydrophobicContact CB-CG2 4.31Å; V47-T57 HydrophobicContact CG1-CG2 4.14Å; V47-T57 HydrophobicContact CG2-CG2 3.81Å; V55-T57 HydrophobicContact CG1-CG2 4.49Å; T57-L66 WeakPolarHBondContact CG2-O 3.01Å; T57-L66 VanDerWaalsContact OG1-CA 3.3Å; T57-L66 WeakPolarHBondContact OG1-CA 3.28Å; T57-L66 VanDerWaalsContact OG1-CB 3.25Å; T57-L66 WeakPolarHBondContact OG1-CB 3.41Å; T57-L66 PolarHBondContact OG1-O 3.46Å; T57-H68 PolarHBondContact OG1-CD2 3.47Å; T57-H68 PolarHBondContact OG1-NE2 2.84Å; T57-P75 WeakPolarHBondContact O-CA 3.41Å; T57-E76 PolarHBondContact N-O 3.13Å; T57-E76 PolarHBondContact O-N 2.9Å; T57-I78 HydrophobicContact CG2-CD1 3.59Å; T57-I78 HydrophobicContact CG2-CG1 3.88Å
58C90.9Very high92.3Very high1 Ų126.9 Ų26.91%0.00714%0.14CC..EExtended strand (participates in β ladder)trans-151.2168169.467.30000111.4G10 Q11 H45 S46 G72 P75G10-C58 PolarHBondContact O-SG 2.98Å; Q11-C58 PolarHBondContact O-SG 3.29Å; Q11-C58 VanDerWaalsContact O-SG 3.4Å; H45-C58 WeakPolarHBondContact CA-O 3.2Å; S46-C58 PolarHBondContact N-O 3.17Å; S46-C58 PolarHBondContact O-N 2.82Å; S46-C58 VanDerWaalsContact O-N 3.09Å; C58-G72 WeakPolarHBondContact CB-O 3.4Å; C58-P75 HydrophobicContact CB-CG 4.34Å
59G90.1Very high92Very high0 Ų036 Ų360%018%0.182CC..EExtended strand (participates in β ladder)trans117.5-149.3-177.900000112.7L9 E71 G72L9-G59 CarbonylContact O-C 3.58Å; L9-G59 WeakPolarHBondContact O-CA 3.48Å; G59-E71 VanDerWaalsContact O-CG 3.24Å; G59-E71 WeakPolarHBondContact O-CG 3.25Å; G59-G72 PolarHBondContact N-O 3.31Å; G59-G72 PolarHBondContact O-N 3.08Å
60L90.3Very high91.5Very high28 Ų2844.1 Ų44.115%0.14721%0.213CC..  trans-74.6141.3178.9-17367.9000111.5L9 N44 T62 Q65 E71L9-L60 HydrophobicContact CD1-CB 4.32Å; L9-L60 HydrophobicContact CD1-CD2 4.46Å; N44-L60 HydrophobicContact CB-CB 3.88Å; N44-L60 HydrophobicContact CB-CD2 3.92Å; N44-L60 WeakPolarHBondContact O-CB 2.98Å; N44-L60 PolarHBondContact O-N 3.4Å; L60-T62 HydrophobicContact CD1-CG2 3.64Å; L60-T62 HydrophobicContact CD2-CG2 4.33Å; L60-T62 HydrophobicContact CG-CG2 3.96Å; L60-Q65 WeakPolarHBondContact O-CG 3.15Å; L60-Q65 PolarHBondContact O-NE2 3.35Å; L60-Q65 VanDerWaalsContact O-NE2 3.11Å; L60-E71 WeakPolarHBondContact CD1-OE1 3.49Å
61N92.1Very high91.1Very high21 Ų2149.3 Ų49.311%0.11224%0.237CC..  trans-12820-178.8-157.427.7000115K63 G64 Q65 L66 H68 E71N61-K63 PolarHBondContact O-N 3.37Å; N61-G64 PolarHBondContact O-N 2.9Å; N61-G64 WeakPolarHBondContact OD1-CA 3.25Å; N61-Q65 PolarHBondContact OD1-N 3.24Å; N61-L66 HydrophobicContact CB-CB 4.42Å; N61-L66 HydrophobicContact CB-CD1 3.66Å; N61-L66 HydrophobicContact CB-CG 3.78Å; N61-L66 VanDerWaalsContact OD1-CB 3.31Å; N61-L66 WeakPolarHBondContact OD1-CB 3.3Å; N61-L66 WeakPolarHBondContact OD1-CG 3.3Å; N61-L66 PolarHBondContact OD1-N 2.98Å; N61-L66 VanDerWaalsContact OD1-N 3.1Å; N61-H68 PolarHBondContact ND2-O 3.42Å; N61-E71 HydrophobicContact CB-CB 4.02Å; N61-E71 HydrophobicContact CB-CG 4.03Å; N61-E71 PolarHBondContact N-OE2 2.95Å
62T90.9Very high90.6Very high95 Ų9545.2 Ų45.258%0.58323%0.225SC*.THydrogen-bonded Turntrans-59.7-18.7-175.153.10000115.1L60L60-T62 HydrophobicContact CD1-CG2 3.64Å; L60-T62 HydrophobicContact CD2-CG2 4.33Å; L60-T62 HydrophobicContact CG-CG2 3.96Å
63K92.5Very high89.8Confident85 Ų8544.2 Ų44.237%0.3722%0.22SC..THydrogen-bonded Turntrans-119.112.4178.5-63.4-65.6-174.9174.40111.9N61 Q65 G109 A110 S124N61-K63 PolarHBondContact O-N 3.37Å; K63-Q65 VanDerWaalsContact C-N 3.26Å; K63-Q65 PolarHBondContact O-N 2.82Å; K63-G109 CarbonylContact O-C 3.09Å; K63-G109 VanDerWaalsContact O-C 3.3Å; K63-G109 VanDerWaalsContact O-CA 3.32Å; K63-G109 WeakPolarHBondContact O-CA 3.47Å; K63-A110 HydrophobicContact CB-CB 4.09Å; K63-A110 HydrophobicContact CG-CB 4.14Å; K63-S124 WeakPolarHBondContact O-CB 2.92Å
64G92.4Very high89.3Confident8 Ų851.2 Ų51.28%0.08225%0.249CC..SBendtrans71.417.8-175.900000114N61 L66 G67N61-G64 PolarHBondContact O-N 2.9Å; N61-G64 WeakPolarHBondContact OD1-CA 3.25Å; G64-L66 PolarHBondContact O-N 2.98Å; G64-L66 VanDerWaalsContact O-N 3.12Å; G64-G67 PolarHBondContact O-N 2.9Å; G64-G67 VanDerWaalsContact O-N 3.11Å
65Q93.7Very high89Confident1 Ų148.5 Ų48.51%0.00524%0.237CC..THydrogen-bonded Turntrans-65.9-11.6-174.363.8-9651.600114.7H45 L60 N61 K63 S94 S96 W108H45-Q65 HydrophobicContact CB-CG 4.18Å; L60-Q65 WeakPolarHBondContact O-CG 3.15Å; L60-Q65 PolarHBondContact O-NE2 3.35Å; L60-Q65 VanDerWaalsContact O-NE2 3.11Å; N61-Q65 PolarHBondContact OD1-N 3.24Å; K63-Q65 VanDerWaalsContact C-N 3.26Å; K63-Q65 PolarHBondContact O-N 2.82Å; Q65-S94 WeakPolarHBondContact CB-O 3.34Å; Q65-S96 PolarHBondContact O-OG 2.82Å; Q65-W108 PolarHBondContact O-NE1 3.34Å
66L93.4Very high88.8Confident0 Ų050.2 Ų50.20%025%0.245CC..THydrogen-bonded Turntrans-82.3-21.5174.6-60-168.7000112.9H45 T57 N61 G64 H68 R70H45-L66 HydrophobicContact CB-CD2 3.71Å; T57-L66 WeakPolarHBondContact CG2-O 3.01Å; T57-L66 VanDerWaalsContact OG1-CA 3.3Å; T57-L66 WeakPolarHBondContact OG1-CA 3.28Å; T57-L66 VanDerWaalsContact OG1-CB 3.25Å; T57-L66 WeakPolarHBondContact OG1-CB 3.41Å; T57-L66 PolarHBondContact OG1-O 3.46Å; N61-L66 HydrophobicContact CB-CB 4.42Å; N61-L66 HydrophobicContact CB-CD1 3.66Å; N61-L66 HydrophobicContact CB-CG 3.78Å; N61-L66 VanDerWaalsContact OD1-CB 3.31Å; N61-L66 WeakPolarHBondContact OD1-CB 3.3Å; N61-L66 WeakPolarHBondContact OD1-CG 3.3Å; N61-L66 PolarHBondContact OD1-N 2.98Å; N61-L66 VanDerWaalsContact OD1-N 3.1Å; G64-L66 PolarHBondContact O-N 2.98Å; G64-L66 VanDerWaalsContact O-N 3.12Å; L66-H68 PolarHBondContact O-CD2 3.11Å; L66-H68 VanDerWaalsContact O-CD2 3.25Å; L66-H68 PolarHBondContact O-N 3.06Å; L66-R70 WeakPolarHBondContact CD1-O 3.34Å
67G92.3Very high88.7Confident6 Ų652.8 Ų52.86%0.06226%0.257CS..SBendtrans793.9-17900000114.5G64 A126G64-G67 PolarHBondContact O-N 2.9Å; G64-G67 VanDerWaalsContact O-N 3.11Å; G67-A126 CarbonylContact C-O 3.52Å; G67-A126 WeakPolarHBondContact CA-O 3.33Å
68H91.4Very high88.8Confident28 Ų2852.9 Ų52.913%0.1326%0.258CS..SBendtrans-143.2173172.661.197000109.6T57 N61 L66 R70 E76T57-H68 PolarHBondContact OG1-CD2 3.47Å; T57-H68 PolarHBondContact OG1-NE2 2.84Å; N61-H68 PolarHBondContact ND2-O 3.42Å; L66-H68 PolarHBondContact O-CD2 3.11Å; L66-H68 VanDerWaalsContact O-CD2 3.25Å; L66-H68 PolarHBondContact O-N 3.06Å; H68-R70 PolarHBondContact CE1-O 2.8Å; H68-R70 PolarHBondContact ND1-N 2.94Å; H68-R70 PolarHBondContact ND1-O 3.39Å; H68-E76 IonicContact CE1-OE2 3.77Å; H68-E76 PolarHBondContact CE1-OE2 2.87Å; H68-E76 IonicContact ND1-OE2 3.62Å; H68-E76 PolarHBondContact ND1-OE2 3.01Å
69E87.1Confident88.8Confident190 Ų19055.5 Ų55.589%0.88829%0.285SS*.SBendtrans-82.6-21.9-172-63.5-173.6163.400114.7
70R84.8Confident88.9Confident171 Ų17158.2 Ų58.265%0.64531%0.307SS*.  trans-89.3117.9-169.5-62.4175.5-175.1162.78.3111.4L66 H68 E76L66-R70 WeakPolarHBondContact CD1-O 3.34Å; H68-R70 PolarHBondContact CE1-O 2.8Å; H68-R70 PolarHBondContact ND1-N 2.94Å; H68-R70 PolarHBondContact ND1-O 3.39Å; R70-E76 VanDerWaalsContact CB-OE2 3.28Å; R70-E76 WeakPolarHBondContact CB-OE2 3.43Å; R70-E76 WeakPolarHBondContact CD-OE1 3.16Å; R70-E76 WeakPolarHBondContact CD-OE2 3.45Å; R70-E76 IonicContact CZ-OE1 2.82Å; R70-E76 IonicContact NE-OE1 3.13Å; R70-E76 IonicContact NH1-OE1 3.72Å; R70-E76 PolarHBondContact NH1-OE1 3.04Å; R70-E76 IonicContact NH1-OE2 2.76Å
71E83.3Confident89.1Confident112 Ų11257.2 Ų57.252%0.52330%0.302SS..  trans-86.8148.7173.4-167.9174.1139.600111.2G59 L60 N61G59-E71 VanDerWaalsContact O-CG 3.24Å; G59-E71 WeakPolarHBondContact O-CG 3.25Å; L60-E71 WeakPolarHBondContact CD1-OE1 3.49Å; N61-E71 HydrophobicContact CB-CB 4.02Å; N61-E71 HydrophobicContact CB-CG 4.03Å; N61-E71 PolarHBondContact N-OE2 2.95Å
72G79.6Confident89Confident26 Ų2659 Ų5927%0.26832%0.32SS..EExtended strand (participates in β ladder)trans140.7-160.9168.900000115C58 G59C58-G72 WeakPolarHBondContact CB-O 3.4Å; G59-G72 PolarHBondContact N-O 3.31Å; G59-G72 PolarHBondContact O-N 3.08Å
73N74.6Confident88.9Confident72 Ų7261.9 Ų61.939%0.38533%0.332SS..EExtended strand (participates in β ladder)trans-92.2-7.1-168.265.1-18.7000115.6W7 G10 G13W7-N73 HydrophobicContact CH2-CB 4.23Å; W7-N73 HydrophobicContact CZ2-CB 3.86Å; G10-N73 WeakPolarHBondContact O-CA 3.36Å; G13-N73 CarbonylContact C-O 3.51Å; G13-N73 WeakPolarHBondContact CA-O 3.21Å
74K81.6Confident89Confident151 Ų15160.2 Ų60.266%0.65733%0.325SS*.EExtended strand (participates in β ladder)trans-97.1121.8-179.9-172.3178.6178.4-176.40108.8E76K74-E76 PolarHBondContact O-N 3.11Å
75P87.8Confident89.1Confident6 Ų663.8 Ų63.84%0.03934%0.34CS..EExtended strand (participates in β ladder)trans-60.1130.7173.3-22.934000111.6F30 F48 T57 C58F30-P75 HydrophobicContact CB-CG 4.16Å; F30-P75 HydrophobicContact CD1-CB 4.03Å; F30-P75 HydrophobicContact CD1-CG 3.89Å; F30-P75 HydrophobicContact CD2-CB 3.88Å; F30-P75 HydrophobicContact CD2-CG 3.88Å; F30-P75 HydrophobicContact CE1-CB 3.89Å; F30-P75 HydrophobicContact CE1-CG 4.28Å; F30-P75 HydrophobicContact CE2-CB 3.73Å; F30-P75 HydrophobicContact CE2-CG 4.27Å; F30-P75 HydrophobicContact CG-CB 4.04Å; F30-P75 HydrophobicContact CG-CG 3.7Å; F30-P75 HydrophobicContact CZ-CB 3.76Å; F30-P75 HydrophobicContact CZ-CG 4.47Å; F48-P75 HydrophobicContact CD2-CB 4.13Å; F48-P75 HydrophobicContact CD2-CG 4.26Å; F48-P75 HydrophobicContact CE2-CB 4.25Å; F48-P75 HydrophobicContact CE2-CG 3.94Å; T57-P75 WeakPolarHBondContact O-CA 3.41Å; C58-P75 HydrophobicContact CB-CG 4.34Å
76E90.2Very high89.2Confident40 Ų4063.8 Ų63.819%0.18734%0.34CS..EExtended strand (participates in β ladder)trans-126.1148.9177.8-61-161.3151.600112.5Y56 T57 H68 R70 K74Y56-E76 CarbonylContact C-O 3.53Å; Y56-E76 WeakPolarHBondContact CA-O 3.36Å; T57-E76 PolarHBondContact N-O 3.13Å; T57-E76 PolarHBondContact O-N 2.9Å; H68-E76 IonicContact CE1-OE2 3.77Å; H68-E76 PolarHBondContact CE1-OE2 2.87Å; H68-E76 IonicContact ND1-OE2 3.62Å; H68-E76 PolarHBondContact ND1-OE2 3.01Å; R70-E76 VanDerWaalsContact CB-OE2 3.28Å; R70-E76 WeakPolarHBondContact CB-OE2 3.43Å; R70-E76 WeakPolarHBondContact CD-OE1 3.16Å; R70-E76 WeakPolarHBondContact CD-OE2 3.45Å; R70-E76 IonicContact CZ-OE1 2.82Å; R70-E76 IonicContact NE-OE1 3.13Å; R70-E76 IonicContact NH1-OE1 3.72Å; R70-E76 PolarHBondContact NH1-OE1 3.04Å; R70-E76 IonicContact NH1-OE2 2.76Å; K74-E76 PolarHBondContact O-N 3.11Å
77Q91.6Very high89.3Confident68 Ų6865.8 Ų65.832%0.31835%0.35SS..EExtended strand (participates in β ladder)trans-72.3137.3-177.2-165.11755.600111.3E54 V55 Y56 G79E54-Q77 PolarHBondContact OE1-NE2 3.34Å; E54-Q77 PolarHBondContact OE2-NE2 2.85Å; V55-Q77 WeakPolarHBondContact O-CA 3.33Å; Y56-Q77 HydrophobicContact CD1-CB 4.09Å; Y56-Q77 VanDerWaalsContact CD1-N 3.28Å; Y56-Q77 HydrophobicContact CE1-CB 3.51Å; Y56-Q77 HydrophobicContact CE1-CG 4.24Å; Y56-Q77 HydrophobicContact CE2-CB 4.26Å; Y56-Q77 HydrophobicContact CE2-CG 4.09Å; Y56-Q77 PolarHBondContact OH-OE1 2.77Å; Q77-G79 PolarHBondContact O-N 3.24Å; Q77-G79 VanDerWaalsContact O-N 3.12Å
78I94.4Very high89.4Confident2 Ų267.3 Ų67.31%0.0136%0.355CS..  trans-78.994.5169.1-53.8-177.5000109.1V55 T57 A80 L81 W108 P128V55-I78 HydrophobicContact CB-CD1 4.25Å; V55-I78 HydrophobicContact CG1-CD1 3.69Å; V55-I78 HydrophobicContact CG1-CG1 4.3Å; V55-I78 PolarHBondContact O-N 3.46Å; T57-I78 HydrophobicContact CG2-CD1 3.59Å; T57-I78 HydrophobicContact CG2-CG1 3.88Å; I78-A80 HydrophobicContact CG2-CB 4.3Å; I78-A80 PolarHBondContact O-N 3.38Å; I78-A80 VanDerWaalsContact O-N 3.15Å; I78-L81 HydrophobicContact CB-CD1 4.43Å; I78-L81 HydrophobicContact CD1-CD1 4.16Å; I78-L81 HydrophobicContact CG2-CB 4.29Å; I78-L81 HydrophobicContact CG2-CD1 4.07Å; I78-L81 HydrophobicContact CG2-CG 3.94Å; I78-L81 PolarHBondContact O-N 2.85Å; I78-W108 HydrophobicContact CD1-CH2 4Å; I78-W108 HydrophobicContact CD1-CZ2 3.43Å; I78-W108 VanDerWaalsContact CD1-CZ2 3.43Å; I78-P128 HydrophobicContact CG2-CG 3.61Å
79G91.1Very high89.7Confident55 Ų5566 Ų6657%0.56735%0.349SS*.G310 helixtrans-57.8-29.8-179.500000114.3Q77 L81 A82Q77-G79 PolarHBondContact O-N 3.24Å; Q77-G79 VanDerWaalsContact O-N 3.12Å; G79-L81 PolarHBondContact O-N 3.34Å; G79-A82 WeakPolarHBondContact O-CB 3.12Å; G79-A82 PolarHBondContact O-N 3.22Å
80A92.8Very high90.2Very high58 Ų5857.4 Ų57.448%0.47931%0.31SS..G310 helixtrans-67.1-18.1177.900000114.3I78 V127 P128I78-A80 HydrophobicContact CG2-CB 4.3Å; I78-A80 PolarHBondContact O-N 3.38Å; I78-A80 VanDerWaalsContact O-N 3.15Å; A80-V127 HydrophobicContact CB-CG1 3.77Å; A80-P128 HydrophobicContact CB-CG 4.21Å
81L93.7Very high90.7Very high7 Ų750 Ų504%0.03729%0.285CS..G310 helixtrans-105.83.7177.4-63.4177000112.6V55 I78 G79 D83 Q84 A98 F106 W108 P128V55-L81 HydrophobicContact CG2-CD1 4.47Å; I78-L81 HydrophobicContact CB-CD1 4.43Å; I78-L81 HydrophobicContact CD1-CD1 4.16Å; I78-L81 HydrophobicContact CG2-CB 4.29Å; I78-L81 HydrophobicContact CG2-CD1 4.07Å; I78-L81 HydrophobicContact CG2-CG 3.94Å; I78-L81 PolarHBondContact O-N 2.85Å; G79-L81 PolarHBondContact O-N 3.34Å; L81-D83 PolarHBondContact O-N 3.26Å; L81-Q84 PolarHBondContact O-N 3.25Å; L81-A98 HydrophobicContact CD1-CB 3.84Å; L81-F106 HydrophobicContact CD2-CB 4.15Å; L81-F106 HydrophobicContact CD2-CD1 4.04Å; L81-F106 HydrophobicContact CD2-CD2 4.13Å; L81-F106 HydrophobicContact CD2-CG 3.84Å; L81-W108 HydrophobicContact CD1-CH2 4.03Å; L81-W108 HydrophobicContact CD1-CZ3 4.12Å; L81-P128 HydrophobicContact CD1-CB 4.32Å; L81-P128 HydrophobicContact CD1-CG 4.11Å; L81-P128 HydrophobicContact CD2-CB 3.81Å; L81-P128 HydrophobicContact CD2-CG 4.3Å; L81-P128 HydrophobicContact CG-CB 4.02Å; L81-P128 HydrophobicContact CG-CG 3.94Å
82A89.7Confident91.2Very high58 Ų5844.9 Ų44.948%0.47926%0.262SS..THydrogen-bonded Turntrans-61.1-30.4-173.200000113.8G79 Q84G79-A82 WeakPolarHBondContact O-CB 3.12Å; G79-A82 PolarHBondContact O-N 3.22Å; A82-Q84 VanDerWaalsContact C-N 3.29Å; A82-Q84 PolarHBondContact O-N 2.91Å
83D89.8Confident91.9Very high156 Ų15645.2 Ų45.283%0.83426%0.257SS*.THydrogen-bonded Turntrans-85.32177.4-63.7-36.8000113.6L81L81-D83 PolarHBondContact O-N 3.26Å
84Q93.5Very high92.9Very high49 Ų4943.2 Ų43.223%0.22925%0.248CC..SBendtrans-111.8137-179.7-55.3-57.8-48.200109.9L81 A82 I86 F106L81-Q84 PolarHBondContact O-N 3.25Å; A82-Q84 VanDerWaalsContact C-N 3.29Å; A82-Q84 PolarHBondContact O-N 2.91Å; Q84-I86 HydrophobicContact CB-CD1 3.86Å; Q84-I86 PolarHBondContact O-N 2.95Å; Q84-F106 HydrophobicContact CG-CE2 4.21Å; Q84-F106 HydrophobicContact CG-CZ 3.98Å
85H94.8Very high93.6Very high84 Ų8436 Ų3639%0.38922%0.217SC..  trans-88.8101.7170.8-172.564.9000109.2D52 S100 D101D52-H85 PolarHBondContact O-CE1 2.94Å; D52-H85 PolarHBondContact O-ND1 2.95Å; H85-S100 CarbonylContact O-C 3.2Å; H85-S100 WeakPolarHBondContact O-CA 3.47Å; H85-D101 PolarHBondContact O-N 3.46Å
86I96.2Very high94Very high1 Ų135.8 Ų35.81%0.00522%0.215CC..EExtended strand (participates in β ladder)trans-82135-178.1-55.8-53.5000110.1L49 G53 V55 Q84 V89 A98 L99L49-I86 HydrophobicContact CD1-CB 3.89Å; L49-I86 HydrophobicContact CD1-CG2 3.82Å; G53-I86 WeakPolarHBondContact CA-O 3.28Å; G53-I86 WeakPolarHBondContact O-CB 3.47Å; G53-I86 PolarHBondContact O-N 2.98Å; V55-I86 HydrophobicContact CG2-CB 3.74Å; V55-I86 HydrophobicContact CG2-CG1 3.67Å; V55-I86 HydrophobicContact CG2-CG2 3.79Å; Q84-I86 HydrophobicContact CB-CD1 3.86Å; Q84-I86 PolarHBondContact O-N 2.95Å; I86-V89 HydrophobicContact CG2-CG1 3.94Å; I86-A98 HydrophobicContact CD1-CB 4.14Å; I86-A98 HydrophobicContact CG1-CB 4.4Å; I86-A98 HydrophobicContact CG2-CB 3.99Å; I86-L99 WeakPolarHBondContact CG2-O 3.2Å
87I94.8Very high94.4Very high41 Ų4133.9 Ų33.921%0.2121%0.207CC..EExtended strand (participates in β ladder)trans-112.1-22.2-177.560.4164.6000113.8K37 L49 L99 D101K37-I87 PolarHBondContact NZ-O 3.46Å; L49-I87 VanDerWaalsContact CD2-C 3.5Å; L49-I87 WeakPolarHBondContact CD2-O 3.28Å; I87-L99 HydrophobicContact CD1-CD2 4.29Å; I87-L99 HydrophobicContact CD1-CG 4.35Å; I87-L99 HydrophobicContact CG1-CD2 4.42Å; I87-L99 HydrophobicContact CG1-CG 4.16Å; I87-L99 WeakPolarHBondContact CG1-O 3.45Å; I87-L99 PolarHBondContact N-O 3.27Å; I87-D101 HydrophobicContact CG2-CB 3.72Å
88H95.5Very high94.6Very high38 Ų3830.7 Ų30.718%0.17619%0.192CC..EExtended strand (participates in β ladder)trans-152.7143.7-176.7-168.784.4000111.2E38 L99E38-H88 IonicContact OE1-CE1 3.6Å; E38-H88 PolarHBondContact OE1-CE1 3.46Å; E38-H88 IonicContact OE1-ND1 2.83Å; E38-H88 PolarHBondContact OE1-ND1 3.46Å; E38-H88 IonicContact OE1-NE2 3.15Å; E38-H88 WeakPolarHBondContact OE2-CA 3.44Å; E38-H88 IonicContact OE2-CE1 3.02Å; E38-H88 IonicContact OE2-CG 2.85Å; E38-H88 IonicContact OE2-ND1 3.99Å; E38-H88 PolarHBondContact OE2-ND1 3.25Å; H88-L99 HydrophobicContact CB-CB 4.14Å; H88-L99 HydrophobicContact CB-CD2 4.2Å; H88-L99 PolarHBondContact N-O 3.07Å; H88-L99 PolarHBondContact O-N 3.49Å
89V96.9Very high94.7Very high2 Ų230.6 Ų30.61%0.01219%0.191CC..EExtended strand (participates in β ladder)trans-129.7147.7177.1-69.20000111.9E38 A40 V47 L49 V55 I86 L97 A98E38-V89 HydrophobicContact CG-CG2 4.13Å; E38-V89 PolarHBondContact OE2-N 2.89Å; A40-V89 HydrophobicContact CB-CB 4.39Å; A40-V89 HydrophobicContact CB-CG2 3.88Å; V47-V89 HydrophobicContact CG1-CB 4.04Å; V47-V89 HydrophobicContact CG1-CG1 4Å; V47-V89 HydrophobicContact CG1-CG2 4.17Å; L49-V89 HydrophobicContact CB-CG1 4.3Å; L49-V89 HydrophobicContact CB-CG2 3.99Å; V55-V89 HydrophobicContact CG1-CG1 4.38Å; V55-V89 HydrophobicContact CG2-CG1 4.29Å; I86-V89 HydrophobicContact CG2-CG1 3.94Å; V89-L97 WeakPolarHBondContact CA-O 3.47Å; V89-A98 HydrophobicContact CG1-CB 4.36Å
90A96.8Very high94.9Very high8 Ų828 Ų287%0.06616%0.164CC..EExtended strand (participates in β ladder)trans-141.7151.1175.400000111L97 V142 C144A90-L97 HydrophobicContact CB-CB 4.44Å; A90-L97 PolarHBondContact N-O 3.16Å; A90-L97 PolarHBondContact O-N 3.43Å; A90-V142 HydrophobicContact CB-CG2 4.01Å; A90-C144 HydrophobicContact CB-CB 4.49Å
91C95.4Very high94.9Very high16 Ų1629.2 Ų29.211%0.10816%0.163CC..EExtended strand (participates in β ladder)trans-134.9136.6-177.4-68.30000110.4A40 V47 C144A40-C91 HydrophobicContact CB-CB 4.28Å; V47-C91 WeakPolarHBondContact CG2-SG 3.4Å; C91-C144 VanDerWaalsContact O-CB 3.32Å; C91-C144 WeakPolarHBondContact O-CB 3.44Å
92G94.9Very high94.7Very high5 Ų537.2 Ų37.25%0.05219%0.193CC..  trans-100.2-159.4163.200000111.6G42 S94 H95 G145G42-G92 WeakPolarHBondContact CA-O 3.13Å; G92-S94 VanDerWaalsContact C-N 3.32Å; G92-S94 PolarHBondContact O-N 3.19Å; G92-H95 VanDerWaalsContact CA-CE1 3.5Å; G92-H95 WeakPolarHBondContact CA-CE1 3.49Å; G92-H95 PolarHBondContact N-O 3.45Å; G92-G145 WeakPolarHBondContact CA-O 3.48Å
93E94.1Very high94.7Very high33 Ų3334.7 Ų34.715%0.15417%0.172CC..SBendtrans-62-39.9-173.7-17761.1-154.900112.3G43 N146 R303G43-E93 PolarHBondContact N-O 2.75Å; E93-N146 HydrophobicContact CB-CB 4.02Å; E93-N146 WeakPolarHBondContact CB-O 3.47Å; E93-N146 PolarHBondContact N-O 3.01Å; E93-N146 VanDerWaalsContact N-O 3.11Å; E93-R303 IonicContact OE1-NH2 3.55Å; E93-R303 PolarHBondContact OE1-NH2 3.37Å; E93-R303 IonicContact OE2-CZ 2.94Å; E93-R303 IonicContact OE2-NH2 3.73Å; E93-R303 PolarHBondContact OE2-NH2 2.78Å
94S94.9Very high94.9Very high30 Ų3029.2 Ų29.221%0.2114%0.141CC..SBendtrans-149.528.5-178.7-59.20000113Q65 G92 A110Q65-S94 WeakPolarHBondContact CB-O 3.34Å; G92-S94 VanDerWaalsContact C-N 3.32Å; G92-S94 PolarHBondContact O-N 3.19Å; S94-A110 WeakPolarHBondContact O-CB 3.42Å; S94-A110 PolarHBondContact O-N 2.87Å
95H96.1Very high95.1Very high0 Ų027 Ų270%013%0.131CC..EExtended strand (participates in β ladder)trans-143160.617672.8-81.4000110.2G92 W108 Q115 L116 C149G92-H95 VanDerWaalsContact CA-CE1 3.5Å; G92-H95 WeakPolarHBondContact CA-CE1 3.49Å; G92-H95 PolarHBondContact N-O 3.45Å; H95-W108 WeakPolarHBondContact CA-O 3.37Å; H95-W108 WeakPolarHBondContact CB-O 3.47Å; H95-Q115 HydrophobicContact CB-CG 4.33Å; H95-L116 HydrophobicContact CB-CD2 4.12Å; H95-C149 PolarHBondContact NE2-SG 2.91Å
96S97.1Very high95.2Very high0 Ų024 Ų240%012%0.117CC..EExtended strand (participates in β ladder)trans-138.6146.4-171.9-58.60000110.5H45 Q65 S107 W108H45-S96 PolarHBondContact NE2-OG 3.06Å; Q65-S96 PolarHBondContact O-OG 2.82Å; S96-S107 WeakPolarHBondContact O-CA 3.36Å; S96-W108 PolarHBondContact N-O 2.96Å; S96-W108 PolarHBondContact O-N 3.39Å; S96-W108 VanDerWaalsContact O-N 3.11Å
97L97.3Very high95.2Very high1 Ų124 Ų241%0.00512%0.117CC..EExtended strand (participates in β ladder)trans-125.5144.9175.3-60.3-175.8000110.8V89 A90 L105 F106 V142 C144 C149 W161V89-L97 WeakPolarHBondContact CA-O 3.47Å; A90-L97 HydrophobicContact CB-CB 4.44Å; A90-L97 PolarHBondContact N-O 3.16Å; A90-L97 PolarHBondContact O-N 3.43Å; L97-L105 HydrophobicContact CB-CD1 4.26Å; L97-F106 VanDerWaalsContact CA-O 3.26Å; L97-F106 WeakPolarHBondContact CA-O 3.08Å; L97-V142 HydrophobicContact CD1-CB 4.36Å; L97-C144 WeakPolarHBondContact CD1-SG 3.5Å; L97-C149 HydrophobicContact CD1-CB 4.13Å; L97-W161 HydrophobicContact CD1-CZ2 4.23Å
98A97.6Very high95.3Very high0 Ų022 Ų220%011%0.107CC..EExtended strand (participates in β ladder)trans-133.3131170.400000110.9L81 I86 V89 F106 W108L81-A98 HydrophobicContact CD1-CB 3.84Å; I86-A98 HydrophobicContact CD1-CB 4.14Å; I86-A98 HydrophobicContact CG1-CB 4.4Å; I86-A98 HydrophobicContact CG2-CB 3.99Å; V89-A98 HydrophobicContact CG1-CB 4.36Å; A98-F106 PolarHBondContact N-O 2.81Å; A98-F106 PolarHBondContact O-N 2.96Å; A98-W108 HydrophobicContact CB-CH2 3.78Å; A98-W108 HydrophobicContact CB-CZ3 3.78Å
99L96.7Very high95.3Very high0 Ų020.2 Ų20.20%010%0.098CC..EExtended strand (participates in β ladder)trans-106.5125.2178.9176.763.9000110I86 I87 H88 L105 I139I86-L99 WeakPolarHBondContact CG2-O 3.2Å; I87-L99 HydrophobicContact CD1-CD2 4.29Å; I87-L99 HydrophobicContact CD1-CG 4.35Å; I87-L99 HydrophobicContact CG1-CD2 4.42Å; I87-L99 HydrophobicContact CG1-CG 4.16Å; I87-L99 WeakPolarHBondContact CG1-O 3.45Å; I87-L99 PolarHBondContact N-O 3.27Å; H88-L99 HydrophobicContact CB-CB 4.14Å; H88-L99 HydrophobicContact CB-CD2 4.2Å; H88-L99 PolarHBondContact N-O 3.07Å; H88-L99 PolarHBondContact O-N 3.49Å; L99-L105 HydrophobicContact CB-CD1 4.21Å; L99-L105 HydrophobicContact CD1-CD1 4.48Å; L99-I139 HydrophobicContact CD1-CB 3.78Å; L99-I139 HydrophobicContact CD1-CG2 3.9Å; L99-I139 HydrophobicContact CD2-CG2 4.31Å
100S95.3Very high95.3Very high0 Ų020.8 Ų20.80%010%0.103CC..EExtended strand (participates in β ladder)trans-84.9162.5175.373.60000113.2H85 R102 G103 Q104H85-S100 CarbonylContact O-C 3.2Å; H85-S100 WeakPolarHBondContact O-CA 3.47Å; S100-R102 PolarHBondContact O-N 3.29Å; S100-R102 PolarHBondContact OG-N 2.99Å; S100-G103 PolarHBondContact O-N 3.41Å; S100-Q104 PolarHBondContact N-O 2.84Å; S100-Q104 WeakPolarHBondContact OG-CB 3.08Å; S100-Q104 PolarHBondContact OG-N 2.85Å; S100-Q104 PolarHBondContact OG-O 3.09Å
101D91.6Very high95.1Very high85 Ų8520.4 Ų20.446%0.45510%0.1SC..THydrogen-bonded Turntrans-57.7-24172.767.5-24.5000114.4H85 I87 G103H85-D101 PolarHBondContact O-N 3.46Å; I87-D101 HydrophobicContact CG2-CB 3.72Å; D101-G103 PolarHBondContact O-N 3.01Å
102R89.2Confident95Very high175 Ų17522.5 Ų22.566%0.6612%0.115SC*.THydrogen-bonded Turntrans-80.30.8173.4-63.1176.5-172.2176.12.6113.4S100 Q104S100-R102 PolarHBondContact O-N 3.29Å; S100-R102 PolarHBondContact OG-N 2.99Å; R102-Q104 VanDerWaalsContact C-N 3.32Å; R102-Q104 HydrophobicContact CB-CG 4.17Å
103G90.6Very high94.9Very high4 Ų424.8 Ų24.84%0.04113%0.126CC..SBendtrans75.917.6-176.800000113.9S100 D101 I139S100-G103 PolarHBondContact O-N 3.41Å; D101-G103 PolarHBondContact O-N 3.01Å; G103-I139 PolarHBondContact O-N 2.78Å
104Q94Very high94.9Very high41 Ų4123.3 Ų23.319%0.19212%0.12CC..  trans-90136.2179.1-57.7-177.5-6800110.5S100 R102 F106 L130 N135S100-Q104 PolarHBondContact N-O 2.84Å; S100-Q104 WeakPolarHBondContact OG-CB 3.08Å; S100-Q104 PolarHBondContact OG-N 2.85Å; S100-Q104 PolarHBondContact OG-O 3.09Å; R102-Q104 VanDerWaalsContact C-N 3.32Å; R102-Q104 HydrophobicContact CB-CG 4.17Å; Q104-F106 HydrophobicContact CB-CE2 4.09Å; Q104-F106 HydrophobicContact CB-CZ 4.49Å; Q104-L130 HydrophobicContact CB-CD1 3.8Å; Q104-N135 PolarHBondContact NE2-OD1 3.19Å
105L96.4Very high94.9Very high3 Ų322 Ų222%0.01611%0.11CC..EExtended strand (participates in β ladder)trans-111.2125.9-174.8-171.262.5000111.9L97 L99 I131 L134 V142 W161L97-L105 HydrophobicContact CB-CD1 4.26Å; L99-L105 HydrophobicContact CB-CD1 4.21Å; L99-L105 HydrophobicContact CD1-CD1 4.48Å; L105-I131 HydrophobicContact CD2-CD1 3.81Å; L105-I131 HydrophobicContact CG-CD1 3.98Å; L105-I131 PolarHBondContact O-N 3.47Å; L105-L134 HydrophobicContact CD2-CD1 4.01Å; L105-V142 HydrophobicContact CD1-CB 4.44Å; L105-V142 HydrophobicContact CD1-CG1 3.62Å; L105-V142 HydrophobicContact CD1-CG2 4.3Å; L105-V142 HydrophobicContact CD2-CG1 3.8Å; L105-V142 HydrophobicContact CG-CG1 4.37Å; L105-W161 HydrophobicContact CD2-CH2 3.65Å; L105-W161 HydrophobicContact CD2-CZ2 3.98Å
106F96.8Very high94.9Very high22 Ų2222.2 Ų22.210%0.09611%0.111CC..EExtended strand (participates in β ladder)trans-109.8142177.9-59.3-95.2000110.8L81 Q84 L97 A98 Q104 W108 P128 R129 L130L81-F106 HydrophobicContact CD2-CB 4.15Å; L81-F106 HydrophobicContact CD2-CD1 4.04Å; L81-F106 HydrophobicContact CD2-CD2 4.13Å; L81-F106 HydrophobicContact CD2-CG 3.84Å; Q84-F106 HydrophobicContact CG-CE2 4.21Å; Q84-F106 HydrophobicContact CG-CZ 3.98Å; L97-F106 VanDerWaalsContact CA-O 3.26Å; L97-F106 WeakPolarHBondContact CA-O 3.08Å; A98-F106 PolarHBondContact N-O 2.81Å; A98-F106 PolarHBondContact O-N 2.96Å; Q104-F106 HydrophobicContact CB-CE2 4.09Å; Q104-F106 HydrophobicContact CB-CZ 4.49Å; F106-W108 HydrophobicContact CB-CZ3 4.45Å; F106-P128 HydrophobicContact CB-CB 4.32Å; F106-R129 CarbonylContact C-O 3.58Å; F106-R129 VanDerWaalsContact CA-O 3.23Å; F106-R129 WeakPolarHBondContact CA-O 3.38Å; F106-L130 HydrophobicContact CD1-CB 4.12Å; F106-L130 HydrophobicContact CE1-CB 3.93Å; F106-L130 HydrophobicContact CE1-CD1 4.19Å; F106-L130 HydrophobicContact CE2-CD1 4.49Å; F106-L130 HydrophobicContact CZ-CD1 4.17Å
107S96.9Very high94.8Very high0 Ų022.3 Ų22.30%011%0.112CC..EExtended strand (participates in β ladder)trans-133.2147.4177.664.60000113.1S96 L116 R129S96-S107 WeakPolarHBondContact O-CA 3.36Å; S107-L116 WeakPolarHBondContact CB-O 3.26Å; S107-L116 PolarHBondContact OG-O 2.98Å; S107-R129 PolarHBondContact N-O 2.83Å; S107-R129 PolarHBondContact O-N 3.19Å
108W96.9Very high94.6Very high0 Ų023.7 Ų23.70%012%0.12CC..EExtended strand (participates in β ladder)trans-159.2170.817464.699.5000111.6Q65 I78 L81 H95 S96 A98 F106 L116 V125 P128Q65-W108 PolarHBondContact O-NE1 3.34Å; I78-W108 HydrophobicContact CD1-CH2 4Å; I78-W108 HydrophobicContact CD1-CZ2 3.43Å; I78-W108 VanDerWaalsContact CD1-CZ2 3.43Å; L81-W108 HydrophobicContact CD1-CH2 4.03Å; L81-W108 HydrophobicContact CD1-CZ3 4.12Å; H95-W108 WeakPolarHBondContact CA-O 3.37Å; H95-W108 WeakPolarHBondContact CB-O 3.47Å; S96-W108 PolarHBondContact N-O 2.96Å; S96-W108 PolarHBondContact O-N 3.39Å; S96-W108 VanDerWaalsContact O-N 3.11Å; A98-W108 HydrophobicContact CB-CH2 3.78Å; A98-W108 HydrophobicContact CB-CZ3 3.78Å; F106-W108 HydrophobicContact CB-CZ3 4.45Å; W108-L116 WeakPolarHBondContact O-CD2 3.47Å; W108-V125 WeakPolarHBondContact CB-O 3.34Å; W108-P128 HydrophobicContact CD2-CB 4.14Å; W108-P128 HydrophobicContact CD2-CG 3.75Å; W108-P128 HydrophobicContact CE3-CB 3.61Å; W108-P128 HydrophobicContact CE3-CG 3.67Å; W108-P128 HydrophobicContact CG-CG 4.18Å; W108-P128 HydrophobicContact CZ3-CB 4.12Å; W108-P128 HydrophobicContact CZ3-CG 4.15Å
109G96.1Very high94.1Very high0 Ų030 Ų300%015%0.151CC..EExtended strand (participates in β ladder)trans102.2-147.2-17500000112.8K63 S124 V125K63-G109 CarbonylContact O-C 3.09Å; K63-G109 VanDerWaalsContact O-C 3.3Å; K63-G109 VanDerWaalsContact O-CA 3.32Å; K63-G109 WeakPolarHBondContact O-CA 3.47Å; G109-S124 CarbonylContact O-C 3.57Å; G109-S124 VanDerWaalsContact O-CA 3.23Å; G109-S124 WeakPolarHBondContact O-CA 2.84Å; G109-V125 PolarHBondContact N-O 3.05Å; G109-V125 PolarHBondContact O-N 2.99Å
110A95.6Very high93.6Very high13 Ų1333.9 Ų33.911%0.10718%0.175CC..EExtended strand (participates in β ladder)trans-67139.4179.200000112.5K63 S94 Q115 L116K63-A110 HydrophobicContact CB-CB 4.09Å; K63-A110 HydrophobicContact CG-CB 4.14Å; S94-A110 WeakPolarHBondContact O-CB 3.42Å; S94-A110 PolarHBondContact O-N 2.87Å; A110-Q115 VanDerWaalsContact O-CD 3.27Å; A110-Q115 WeakPolarHBondContact O-CG 3.41Å; A110-L116 WeakPolarHBondContact O-CD2 3.42Å; A110-L116 WeakPolarHBondContact O-CG 3.41Å
111G94Very high93.1Very high1 Ų138.5 Ų38.51%0.0120%0.203CC..  trans-137.75.7-176.700000116.6D113 G114 Q115 E122 D123G111-D113 PolarHBondContact O-N 2.96Å; G111-D113 VanDerWaalsContact O-N 3.1Å; G111-G114 PolarHBondContact O-N 2.83Å; G111-Q115 VanDerWaalsContact CA-OE1 3.25Å; G111-Q115 PolarHBondContact O-OE1 3Å; G111-E122 CarbonylContact C-O 3.55Å; G111-E122 WeakPolarHBondContact CA-O 3.27Å; G111-D123 PolarHBondContact N-O 3.39Å
112S92.6Very high92.9Very high60 Ų6037.6 Ų37.642%0.4220%0.196SC..THydrogen-bonded Turntrans-59.3-23.5-175.4-54.20000114.5E122 D123S112-E122 PolarHBondContact N-O 2.81Å; S112-D123 PolarHBondContact OG-OD1 2.89Å
113D93Very high92.9Very high52 Ų5234.6 Ų34.628%0.27819%0.193SC..THydrogen-bonded Turntrans-99.34.5176.4-63.7-80.8000113G111 G162 K163G111-D113 PolarHBondContact O-N 2.96Å; G111-D113 VanDerWaalsContact O-N 3.1Å; D113-G162 CarbonylContact O-C 3.45Å; D113-G162 WeakPolarHBondContact O-CA 3.45Å; D113-K163 HydrophobicContact CB-CB 4Å
114G94Very high93.1Very high2 Ų237.1 Ų37.12%0.02121%0.21CC..SBendtrans856-177.400000115.1G111 L116 G117G111-G114 PolarHBondContact O-N 2.83Å; G114-L116 PolarHBondContact O-N 3Å; G114-G117 PolarHBondContact O-N 2.86Å
115Q95.1Very high93.1Very high4 Ų435.3 Ų35.32%0.01920%0.202CC..THydrogen-bonded Turntrans-61.5-15.3-175.862.1-91.766.700114.7H95 A110 G111 W147 C149 W161H95-Q115 HydrophobicContact CB-CG 4.33Å; A110-Q115 VanDerWaalsContact O-CD 3.27Å; A110-Q115 WeakPolarHBondContact O-CG 3.41Å; G111-Q115 VanDerWaalsContact CA-OE1 3.25Å; G111-Q115 PolarHBondContact O-OE1 3Å; Q115-W147 WeakPolarHBondContact CB-O 3.47Å; Q115-C149 PolarHBondContact O-SG 3.37Å; Q115-W161 VanDerWaalsContact O-CD1 3.3Å; Q115-W161 PolarHBondContact O-NE1 3.19Å
116L95.6Very high92.9Very high4 Ų437.7 Ų37.72%0.02122%0.222CC..THydrogen-bonded Turntrans-79.5-19.9174.9-58.7-179.3000113.4H95 S107 W108 A110 G114 L118 V125 I131H95-L116 HydrophobicContact CB-CD2 4.12Å; S107-L116 WeakPolarHBondContact CB-O 3.26Å; S107-L116 PolarHBondContact OG-O 2.98Å; W108-L116 WeakPolarHBondContact O-CD2 3.47Å; A110-L116 WeakPolarHBondContact O-CD2 3.42Å; A110-L116 WeakPolarHBondContact O-CG 3.41Å; G114-L116 PolarHBondContact O-N 3Å; L116-L118 VanDerWaalsContact C-N 3.28Å; L116-L118 HydrophobicContact CB-CD1 4.04Å; L116-L118 HydrophobicContact CB-CG 3.97Å; L116-L118 HydrophobicContact CD1-CD1 4.27Å; L116-L118 PolarHBondContact O-N 3.15Å; L116-V125 HydrophobicContact CD1-CB 3.75Å; L116-V125 HydrophobicContact CD1-CG2 3.49Å; L116-V125 VanDerWaalsContact CD1-CG2 3.49Å; L116-I131 WeakPolarHBondContact O-CD1 3.29Å
117G94.8Very high92.8Very high2 Ų240.6 Ų40.62%0.02124%0.241CC..  trans71.217.1176.500000115.1G114 M119 W161 A179 P181G114-G117 PolarHBondContact O-N 2.86Å; G117-M119 VanDerWaalsContact C-N 3.26Å; G117-M119 PolarHBondContact O-N 3.04Å; G117-W161 VanDerWaalsContact CA-CD1 3.45Å; G117-A179 CarbonylContact C-O 3.56Å; G117-A179 WeakPolarHBondContact CA-O 3.32Å; G117-P181 WeakPolarHBondContact O-CD 3.36Å
118L93.1Very high92.7Very high30 Ų3041.3 Ų41.316%0.15725%0.246CC..SBendtrans-86.720.9-172.9-60.5176.1000114.3L116 T120 V125 R129 I131 A179L116-L118 VanDerWaalsContact C-N 3.28Å; L116-L118 HydrophobicContact CB-CD1 4.04Å; L116-L118 HydrophobicContact CB-CG 3.97Å; L116-L118 HydrophobicContact CD1-CD1 4.27Å; L116-L118 PolarHBondContact O-N 3.15Å; L118-T120 PolarHBondContact O-N 2.87Å; L118-V125 HydrophobicContact CD1-CG2 3.95Å; L118-R129 HydrophobicContact CD1-CB 4.16Å; L118-R129 HydrophobicContact CD2-CB 3.89Å; L118-I131 HydrophobicContact CD2-CG1 4.32Å; L118-A179 PolarHBondContact N-O 3.01Å
119M88.3Confident92.7Very high133 Ų13346.5 Ų46.566%0.65527%0.265SS*.SBendtrans68.9-27.4-176.7-54.8174.150.600115.4G117 A179G117-M119 VanDerWaalsContact C-N 3.26Å; G117-M119 PolarHBondContact O-N 3.04Å; M119-A179 WeakPolarHBondContact CA-O 3.45Å; M119-A179 PolarHBondContact N-O 2.61Å
120T84.9Confident92.6Very high81 Ų8148.2 Ų48.250%0.49727%0.274SS..SBendtrans-111.6151.1173.6530000110.7L118 E122L118-T120 PolarHBondContact O-N 2.87Å; T120-E122 PolarHBondContact O-N 3.38Å
121T84.7Confident92.6Very high97 Ų9747.7 Ų47.760%0.59527%0.27SS*.  trans-86.897.317050.70000108.8A179T121-A179 HydrophobicContact CG2-CB 3.75Å
122E88.9Confident92.6Very high66 Ų6653.5 Ų53.531%0.30830%0.296SS..  trans-97.7138.5169.9-66.9-178.7-159.100109.2G111 S112 T120 S124 V125 R129G111-E122 CarbonylContact C-O 3.55Å; G111-E122 WeakPolarHBondContact CA-O 3.27Å; S112-E122 PolarHBondContact N-O 2.81Å; T120-E122 PolarHBondContact O-N 3.38Å; E122-S124 VanDerWaalsContact C-N 3.32Å; E122-S124 PolarHBondContact O-N 3.28Å; E122-V125 HydrophobicContact CB-CG2 4.2Å; E122-V125 VanDerWaalsContact OE2-CG2 3.29Å; E122-V125 WeakPolarHBondContact OE2-CG2 3.49Å; E122-R129 IonicContact OE1-NH1 3.41Å; E122-R129 PolarHBondContact OE1-NH1 2.84Å; E122-R129 IonicContact OE2-CZ 3.7Å; E122-R129 IonicContact OE2-NH1 2.98Å; E122-R129 PolarHBondContact OE2-NH1 2.88Å; E122-R129 IonicContact OE2-NH2 3.48Å; E122-R129 PolarHBondContact OE2-NH2 3.42Å
123D89.7Confident92.6Very high112 Ų11256.8 Ų56.860%0.59930%0.303SS*.SBendtrans-60.4-41.4-176.6-79.6-32.3000113.2G111 S112G111-D123 PolarHBondContact N-O 3.39Å; S112-D123 PolarHBondContact OG-OD1 2.89Å
124S92.8Very high92.7Very high57 Ų5754.5 Ų54.540%0.39929%0.291SS..EExtended strand (participates in β ladder)trans-157.5143.6176.856.40000111.8K63 G109 E122K63-S124 WeakPolarHBondContact O-CB 2.92Å; G109-S124 CarbonylContact O-C 3.57Å; G109-S124 VanDerWaalsContact O-CA 3.23Å; G109-S124 WeakPolarHBondContact O-CA 2.84Å; E122-S124 VanDerWaalsContact C-N 3.32Å; E122-S124 PolarHBondContact O-N 3.28Å
125V94.3Very high92.4Very high3 Ų357.8 Ų57.82%0.01831%0.308CS..EExtended strand (participates in β ladder)trans-123.2113.4175.51750000108.2W108 G109 L116 L118 E122 V127 R129W108-V125 WeakPolarHBondContact CB-O 3.34Å; G109-V125 PolarHBondContact N-O 3.05Å; G109-V125 PolarHBondContact O-N 2.99Å; L116-V125 HydrophobicContact CD1-CB 3.75Å; L116-V125 HydrophobicContact CD1-CG2 3.49Å; L116-V125 VanDerWaalsContact CD1-CG2 3.49Å; L118-V125 HydrophobicContact CD1-CG2 3.95Å; E122-V125 HydrophobicContact CB-CG2 4.2Å; E122-V125 VanDerWaalsContact OE2-CG2 3.29Å; E122-V125 WeakPolarHBondContact OE2-CG2 3.49Å; V125-V127 WeakPolarHBondContact CG1-O 3.35Å; V125-R129 HydrophobicContact CG1-CG 4Å
126A93Very high91.9Very high53 Ų5365.5 Ų65.544%0.43834%0.344SS..EExtended strand (participates in β ladder)trans-84.8-12-175.800000114.8G67G67-A126 CarbonylContact C-O 3.52Å; G67-A126 WeakPolarHBondContact CA-O 3.33Å
127V94.1Very high91.6Very high83 Ų8366.9 Ų66.950%0.50335%0.35SS..EExtended strand (participates in β ladder)trans-120.6129.8-178.3-178.70000108.9A80 V125 R129A80-V127 HydrophobicContact CB-CG1 3.77Å; V125-V127 WeakPolarHBondContact CG1-O 3.35Å; V127-R129 PolarHBondContact O-N 2.92Å
128P95.8Very high91.5Very high15 Ų1569.7 Ų69.710%0.09737%0.367CS..EExtended strand (participates in β ladder)trans-46.5126.4175.4-26.430.2000113.3I78 A80 L81 F106 W108I78-P128 HydrophobicContact CG2-CG 3.61Å; A80-P128 HydrophobicContact CB-CG 4.21Å; L81-P128 HydrophobicContact CD1-CB 4.32Å; L81-P128 HydrophobicContact CD1-CG 4.11Å; L81-P128 HydrophobicContact CD2-CB 3.81Å; L81-P128 HydrophobicContact CD2-CG 4.3Å; L81-P128 HydrophobicContact CG-CB 4.02Å; L81-P128 HydrophobicContact CG-CG 3.94Å; F106-P128 HydrophobicContact CB-CB 4.32Å; W108-P128 HydrophobicContact CD2-CB 4.14Å; W108-P128 HydrophobicContact CD2-CG 3.75Å; W108-P128 HydrophobicContact CE3-CB 3.61Å; W108-P128 HydrophobicContact CE3-CG 3.67Å; W108-P128 HydrophobicContact CG-CG 4.18Å; W108-P128 HydrophobicContact CZ3-CB 4.12Å; W108-P128 HydrophobicContact CZ3-CG 4.15Å
129R95.6Very high91.6Very high109 Ų10968.4 Ų68.441%0.41136%0.36SS..EExtended strand (participates in β ladder)trans-121.5141.6176.3-69.4-176.2-172.3168.210.3111.3F106 S107 L118 E122 V125 V127F106-R129 CarbonylContact C-O 3.58Å; F106-R129 VanDerWaalsContact CA-O 3.23Å; F106-R129 WeakPolarHBondContact CA-O 3.38Å; S107-R129 PolarHBondContact N-O 2.83Å; S107-R129 PolarHBondContact O-N 3.19Å; L118-R129 HydrophobicContact CD1-CB 4.16Å; L118-R129 HydrophobicContact CD2-CB 3.89Å; E122-R129 IonicContact OE1-NH1 3.41Å; E122-R129 PolarHBondContact OE1-NH1 2.84Å; E122-R129 IonicContact OE2-CZ 3.7Å; E122-R129 IonicContact OE2-NH1 2.98Å; E122-R129 PolarHBondContact OE2-NH1 2.88Å; E122-R129 IonicContact OE2-NH2 3.48Å; E122-R129 PolarHBondContact OE2-NH2 3.42Å; V125-R129 HydrophobicContact CG1-CG 4Å; V127-R129 PolarHBondContact O-N 2.92Å
130L95.4Very high91.8Very high36 Ų3663.2 Ų63.219%0.18834%0.335CS..EExtended strand (participates in β ladder)trans-69.8130176.8179.264.7000111.2Q104 F106 Q132Q104-L130 HydrophobicContact CB-CD1 3.8Å; F106-L130 HydrophobicContact CD1-CB 4.12Å; F106-L130 HydrophobicContact CE1-CB 3.93Å; F106-L130 HydrophobicContact CE1-CD1 4.19Å; F106-L130 HydrophobicContact CE2-CD1 4.49Å; F106-L130 HydrophobicContact CZ-CD1 4.17Å; L130-Q132 PolarHBondContact O-N 2.94Å
131I95.9Very high92.3Very high1 Ų160.5 Ų60.51%0.00532%0.317CS..  trans-77.992.1172.3-63170.8000109.2L105 L116 L118 K133 L134 W161 P181L105-I131 HydrophobicContact CD2-CD1 3.81Å; L105-I131 HydrophobicContact CG-CD1 3.98Å; L105-I131 PolarHBondContact O-N 3.47Å; L116-I131 WeakPolarHBondContact O-CD1 3.29Å; L118-I131 HydrophobicContact CD2-CG1 4.32Å; I131-K133 PolarHBondContact O-N 3.32Å; I131-K133 VanDerWaalsContact O-N 3.14Å; I131-L134 HydrophobicContact CG2-CB 4.4Å; I131-L134 HydrophobicContact CG2-CD1 4.08Å; I131-L134 HydrophobicContact CG2-CG 4.07Å; I131-L134 PolarHBondContact O-N 2.77Å; I131-L134 VanDerWaalsContact O-N 3.13Å; I131-W161 HydrophobicContact CD1-CZ2 3.81Å; I131-P181 HydrophobicContact CG2-CG 3.65Å
132Q93.4Very high92.9Very high123 Ų12356.2 Ų56.258%0.57529%0.291SS*.G310 helixtrans-56.5-34.2-173.9-65.1-64.2-20.700113.7L130 L134 N135L130-Q132 PolarHBondContact O-N 2.94Å; Q132-L134 PolarHBondContact O-N 3.32Å; Q132-N135 WeakPolarHBondContact O-CB 3.29Å; Q132-N135 PolarHBondContact O-N 3.42Å; Q132-N135 VanDerWaalsContact O-N 3.15Å
133K93.3Very high93.3Very high130 Ų13054.1 Ų54.157%0.56528%0.283SS*.G310 helixtrans-61.7-27.8-178.1-170.565.2179.5-175.70113.2I131 P181I131-K133 PolarHBondContact O-N 3.32Å; I131-K133 VanDerWaalsContact O-N 3.14Å; K133-P181 HydrophobicContact CB-CG 4.39Å
134L93.4Very high93.6Very high3 Ų349.5 Ų49.52%0.01626%0.259CS..G310 helixtrans-98.6-1.8-178.9-62175.9000113L105 I131 Q132 Q136 Q137 I139 A151 F159 W161 P181L105-L134 HydrophobicContact CD2-CD1 4.01Å; I131-L134 HydrophobicContact CG2-CB 4.4Å; I131-L134 HydrophobicContact CG2-CD1 4.08Å; I131-L134 HydrophobicContact CG2-CG 4.07Å; I131-L134 PolarHBondContact O-N 2.77Å; I131-L134 VanDerWaalsContact O-N 3.13Å; Q132-L134 PolarHBondContact O-N 3.32Å; L134-Q136 PolarHBondContact O-N 3.15Å; L134-Q136 VanDerWaalsContact O-N 3.11Å; L134-Q137 WeakPolarHBondContact O-CB 3.29Å; L134-Q137 PolarHBondContact O-N 3.3Å; L134-Q137 VanDerWaalsContact O-O 3.11Å; L134-I139 HydrophobicContact CB-CD1 4.38Å; L134-I139 HydrophobicContact CB-CG1 4.35Å; L134-I139 HydrophobicContact CD1-CD1 4.38Å; L134-I139 HydrophobicContact CD2-CD1 4.39Å; L134-A151 HydrophobicContact CD1-CB 4.42Å; L134-F159 HydrophobicContact CD2-CB 4.23Å; L134-F159 HydrophobicContact CD2-CD1 3.89Å; L134-F159 HydrophobicContact CD2-CD2 3.84Å; L134-F159 HydrophobicContact CD2-CE1 4.17Å; L134-F159 HydrophobicContact CD2-CE2 4.13Å; L134-F159 HydrophobicContact CD2-CG 3.72Å; L134-F159 HydrophobicContact CD2-CZ 4.29Å; L134-W161 HydrophobicContact CD1-CH2 4.09Å; L134-W161 HydrophobicContact CD1-CZ3 4.08Å; L134-P181 HydrophobicContact CD1-CB 4.13Å; L134-P181 HydrophobicContact CD1-CG 3.85Å; L134-P181 HydrophobicContact CD2-CB 3.81Å; L134-P181 HydrophobicContact CD2-CG 4.27Å; L134-P181 HydrophobicContact CG-CB 3.97Å; L134-P181 HydrophobicContact CG-CG 3.86Å
135N88.3Confident93.8Very high72 Ų7246.9 Ų46.939%0.38524%0.241SC..THydrogen-bonded Turntrans-66.2-17.3-173.6-168.750.1000114.2Q104 Q132 Q137Q104-N135 PolarHBondContact NE2-OD1 3.19Å; Q132-N135 WeakPolarHBondContact O-CB 3.29Å; Q132-N135 PolarHBondContact O-N 3.42Å; Q132-N135 VanDerWaalsContact O-N 3.15Å; N135-Q137 VanDerWaalsContact C-N 3.34Å
136Q85Confident93.9Very high165 Ų16547.8 Ų47.877%0.77125%0.246SC*.THydrogen-bonded Turntrans-88.6-2.6173.5-66.9-178.8-13.600113.2L134 Q428L134-Q136 PolarHBondContact O-N 3.15Å; L134-Q136 VanDerWaalsContact O-N 3.11Å; Q136-Q428 PolarHBondContact O-NE2 3.35Å
137Q90Very high94.1Very high33 Ų3349.2 Ų49.215%0.15424%0.24CC..SBendtrans-111.3144.7-179.7-57.4-61.1-21.300109.1L134 N135 I139 A153 F159L134-Q137 WeakPolarHBondContact O-CB 3.29Å; L134-Q137 PolarHBondContact O-N 3.3Å; L134-Q137 VanDerWaalsContact O-O 3.11Å; N135-Q137 VanDerWaalsContact C-N 3.34Å; Q137-I139 HydrophobicContact CB-CD1 4.02Å; Q137-I139 PolarHBondContact O-N 2.95Å; Q137-A153 HydrophobicContact CB-CB 4.31Å; Q137-F159 HydrophobicContact CG-CE2 4.2Å; Q137-F159 HydrophobicContact CG-CZ 4.15Å
138T91.6Very high94.3Very high61 Ų6145.2 Ų45.237%0.37422%0.216SC..  trans-89.7101.2169.2-56.10000108.5L140 A153 A154T138-L140 HydrophobicContact CG2-CD2 4.46Å; T138-A153 CarbonylContact O-C 3.45Å; T138-A153 WeakPolarHBondContact O-CA 3.3Å; T138-A154 HydrophobicContact CG2-CB 4.21Å; T138-A154 WeakPolarHBondContact O-CB 3.4Å; T138-A154 PolarHBondContact O-N 2.91Å
139I95.1Very high94.4Very high3 Ų344.5 Ų44.52%0.01521%0.212CC..EExtended strand (participates in β ladder)trans-77.5135.8179-55.8-55.2000110.4L99 G103 L134 Q137 V142 A151 A153L99-I139 HydrophobicContact CD1-CB 3.78Å; L99-I139 HydrophobicContact CD1-CG2 3.9Å; L99-I139 HydrophobicContact CD2-CG2 4.31Å; G103-I139 PolarHBondContact O-N 2.78Å; L134-I139 HydrophobicContact CB-CD1 4.38Å; L134-I139 HydrophobicContact CB-CG1 4.35Å; L134-I139 HydrophobicContact CD1-CD1 4.38Å; L134-I139 HydrophobicContact CD2-CD1 4.39Å; Q137-I139 HydrophobicContact CB-CD1 4.02Å; Q137-I139 PolarHBondContact O-N 2.95Å; I139-V142 HydrophobicContact CG2-CG1 3.83Å; I139-A151 HydrophobicContact CD1-CB 4.41Å; I139-A151 HydrophobicContact CG2-CB 4.12Å; I139-A153 HydrophobicContact CD1-CB 4.04Å
140L93.9Very high94.5Very high24 Ų2439.3 Ų39.313%0.12619%0.192CC..EExtended strand (participates in β ladder)trans-110.6-36.1-178-62.3-173.2000113.9T138 L152 A154 Y398T138-L140 HydrophobicContact CG2-CD2 4.46Å; L140-L152 PolarHBondContact N-O 3.39Å; L140-A154 HydrophobicContact CD1-CB 3.95Å; L140-A154 HydrophobicContact CD2-CB 4.02Å; L140-A154 HydrophobicContact CG-CB 3.9Å; L140-Y398 WeakPolarHBondContact CD1-O 3.47Å
141Q95.3Very high94.6Very high25 Ų2537.6 Ų37.612%0.11718%0.183CC..EExtended strand (participates in β ladder)trans-137.7147.4179.3-66.3-179.818.200110.7A151 L152 A193 Q194 V195 H397Q141-A151 WeakPolarHBondContact O-CA 3.17Å; Q141-L152 HydrophobicContact CB-CB 4.23Å; Q141-L152 PolarHBondContact N-O 3.48Å; Q141-L152 PolarHBondContact O-N 3.15Å; Q141-A193 PolarHBondContact NE2-O 2.87Å; Q141-Q194 VanDerWaalsContact OE1-CA 3.3Å; Q141-V195 HydrophobicContact CB-CG2 4.08Å; Q141-V195 VanDerWaalsContact OE1-N 3.12Å; Q141-H397 VanDerWaalsContact CD-O 3.25Å; Q141-H397 HydrophobicContact CG-CB 4.06Å; Q141-H397 WeakPolarHBondContact CG-O 3.37Å; Q141-H397 PolarHBondContact NE2-O 3.02Å
142V96.9Very high94.7Very high7 Ų737.6 Ų37.64%0.04218%0.183CC..EExtended strand (participates in β ladder)trans-135.4146.1169-65.70000110.8A90 L97 L105 I139 L150 A151A90-V142 HydrophobicContact CB-CG2 4.01Å; L97-V142 HydrophobicContact CD1-CB 4.36Å; L105-V142 HydrophobicContact CD1-CB 4.44Å; L105-V142 HydrophobicContact CD1-CG1 3.62Å; L105-V142 HydrophobicContact CD1-CG2 4.3Å; L105-V142 HydrophobicContact CD2-CG1 3.8Å; L105-V142 HydrophobicContact CG-CG1 4.37Å; I139-V142 HydrophobicContact CG2-CG1 3.83Å; V142-L150 VanDerWaalsContact CA-O 3.29Å; V142-L150 WeakPolarHBondContact CA-O 3.5Å; V142-A151 HydrophobicContact CG1-CB 4.03Å
143S96.9Very high94.8Very high22 Ų2231.7 Ų31.715%0.15416%0.156CC..EExtended strand (participates in β ladder)trans-143.3141.7174.7-170.90000109.3L150 A197S143-L150 PolarHBondContact N-O 2.81Å; S143-L150 PolarHBondContact O-N 2.88Å; S143-A197 PolarHBondContact OG-N 2.85Å
144C96.9Very high94.8Very high14 Ų1426 Ų2610%0.09513%0.133CC..EExtended strand (participates in β ladder)trans-116.7134.1-179.2-66.50000109.6A90 C91 L97 A197A90-C144 HydrophobicContact CB-CB 4.49Å; C91-C144 VanDerWaalsContact O-CB 3.32Å; C91-C144 WeakPolarHBondContact O-CB 3.44Å; L97-C144 WeakPolarHBondContact CD1-SG 3.5Å; C144-A197 VanDerWaalsContact C-CB 3.41Å
145G96.6Very high94.7Very high2 Ų226.2 Ų26.22%0.02113%0.134CC..  trans-90.2-166.6159.200000110.6G92 W147 H148 A197 G198G92-G145 WeakPolarHBondContact CA-O 3.48Å; G145-W147 VanDerWaalsContact C-N 3.3Å; G145-W147 PolarHBondContact O-N 2.88Å; G145-H148 PolarHBondContact N-O 2.87Å; G145-A197 VanDerWaalsContact N-CB 3.28Å; G145-G198 WeakPolarHBondContact CA-O 3.47Å
146N95.8Very high94.9Very high22 Ų2223.2 Ų23.212%0.11812%0.12CC..SBendtrans-60.9-42.4-177.6-71.9-1.5000111.5E93 G199 E251E93-N146 HydrophobicContact CB-CB 4.02Å; E93-N146 WeakPolarHBondContact CB-O 3.47Å; E93-N146 PolarHBondContact N-O 3.01Å; E93-N146 VanDerWaalsContact N-O 3.11Å; N146-G199 VanDerWaalsContact CB-O 3.31Å; N146-G199 WeakPolarHBondContact CB-O 3.24Å; N146-G199 PolarHBondContact N-O 2.85Å; N146-E251 PolarHBondContact ND2-OE1 3Å; N146-E251 VanDerWaalsContact ND2-OE1 3.11Å
147W96.6Very high95.3Very high83 Ų8317.2 Ų17.231%0.3149%0.092SC..SBendtrans-13819.8-174.4-50.2-79.8000114.1Q115 G145 K163Q115-W147 WeakPolarHBondContact CB-O 3.47Å; G145-W147 VanDerWaalsContact C-N 3.3Å; G145-W147 PolarHBondContact O-N 2.88Å; W147-K163 HydrophobicContact CB-CB 3.74Å; W147-K163 HydrophobicContact CB-CD 3.94Å; W147-K163 HydrophobicContact CD2-CD 4.28Å; W147-K163 HydrophobicContact CE3-CD 4.14Å; W147-K163 HydrophobicContact CG-CD 4.22Å; W147-K163 WeakPolarHBondContact O-CB 3.22Å; W147-K163 PolarHBondContact O-N 3.33Å
148H97.9Very high95.6Very high0 Ų015.8 Ų15.80%09%0.085CC..EExtended strand (participates in β ladder)trans-146.3161.8177.571-72.7000111.2G145 W161 Q168 L169 S202G145-H148 PolarHBondContact N-O 2.87Å; H148-W161 CarbonylContact C-O 3.52Å; H148-W161 VanDerWaalsContact CA-O 3.29Å; H148-W161 WeakPolarHBondContact CA-O 3.26Å; H148-W161 WeakPolarHBondContact CB-O 3.15Å; H148-Q168 HydrophobicContact CB-CG 4.25Å; H148-L169 HydrophobicContact CB-CD2 3.82Å; H148-S202 PolarHBondContact CD2-OG 3.41Å; H148-S202 PolarHBondContact NE2-OG 3.13Å
149C98.2Very high95.9Very high0 Ų013.8 Ų13.80%07%0.071CC..EExtended strand (participates in β ladder)trans-132.8146.8-174.4-64.90000110.5H95 L97 Q115 T160 W161H95-C149 PolarHBondContact NE2-SG 2.91Å; L97-C149 HydrophobicContact CD1-CB 4.13Å; Q115-C149 PolarHBondContact O-SG 3.37Å; C149-T160 WeakPolarHBondContact O-CA 3.25Å; C149-W161 HydrophobicContact CB-CD2 3.81Å; C149-W161 HydrophobicContact CB-CE3 4.32Å; C149-W161 HydrophobicContact CB-CG 4.35Å; C149-W161 HydrophobicContact CB-CH2 3.87Å; C149-W161 HydrophobicContact CB-CZ2 3.3Å; C149-W161 HydrophobicContact CB-CZ3 4.34Å; C149-W161 PolarHBondContact N-O 3.01Å; C149-W161 PolarHBondContact O-N 2.9Å; C149-W161 VanDerWaalsContact O-N 3.11Å
150L98.3Very high96Very high0 Ų013.6 Ų13.60%07%0.07CC..EExtended strand (participates in β ladder)trans-123.5139.9178.1-48-178.1000108.6V142 S143 F158 F159 T160 V195 A197V142-L150 VanDerWaalsContact CA-O 3.29Å; V142-L150 WeakPolarHBondContact CA-O 3.5Å; S143-L150 PolarHBondContact N-O 2.81Å; S143-L150 PolarHBondContact O-N 2.88Å; L150-F158 HydrophobicContact CB-CE2 3.88Å; L150-F158 HydrophobicContact CB-CZ 4.03Å; L150-F158 HydrophobicContact CD1-CZ 4.28Å; L150-F158 HydrophobicContact CD2-CZ 4Å; L150-F158 HydrophobicContact CG-CZ 4.32Å; L150-F159 CarbonylContact C-O 3.33Å; L150-F159 WeakPolarHBondContact CA-O 3.26Å; L150-T160 HydrophobicContact CD2-CG2 3.44Å; L150-T160 VanDerWaalsContact CD2-CG2 3.44Å; L150-V195 HydrophobicContact CB-CG2 4.44Å; L150-A197 HydrophobicContact CD1-CB 3.75Å; L150-A197 HydrophobicContact CG-CB 4.12Å
151A97.8Very high96.2Very high0 Ų012.5 Ų12.50%06%0.064CC..EExtended strand (participates in β ladder)trans-139.5134.8172.700000111.7L134 I139 Q141 V142 F158 F159 W161L134-A151 HydrophobicContact CD1-CB 4.42Å; I139-A151 HydrophobicContact CD1-CB 4.41Å; I139-A151 HydrophobicContact CG2-CB 4.12Å; Q141-A151 WeakPolarHBondContact O-CA 3.17Å; V142-A151 HydrophobicContact CG1-CB 4.03Å; A151-F158 VanDerWaalsContact O-CD2 3.26Å; A151-F158 WeakPolarHBondContact O-CD2 3.35Å; A151-F159 HydrophobicContact CB-CB 4.49Å; A151-F159 PolarHBondContact N-O 3.3Å; A151-F159 PolarHBondContact O-N 2.95Å; A151-W161 HydrophobicContact CB-CH2 3.84Å; A151-W161 HydrophobicContact CB-CZ3 3.74Å
152L97.2Very high96.3Very high0 Ų011.3 Ų11.30%06%0.059CC..EExtended strand (participates in β ladder)trans-107.7125.2174.4179.662.7000109.7L140 Q141 L192 V195L140-L152 PolarHBondContact N-O 3.39Å; Q141-L152 HydrophobicContact CB-CB 4.23Å; Q141-L152 PolarHBondContact N-O 3.48Å; Q141-L152 PolarHBondContact O-N 3.15Å; L152-L192 HydrophobicContact CD1-CB 3.95Å; L152-L192 HydrophobicContact CD1-CD1 3.95Å; L152-L192 HydrophobicContact CD2-CB 4.06Å; L152-V195 HydrophobicContact CB-CG1 4.15Å; L152-V195 HydrophobicContact CB-CG2 4.41Å
153A95.5Very high96.3Very high0 Ų013.4 Ų13.40%07%0.067CC..EExtended strand (participates in β ladder)trans-90.6161.3175.600000112.3Q137 T138 I139 D155 G156 Q157 F159Q137-A153 HydrophobicContact CB-CB 4.31Å; T138-A153 CarbonylContact O-C 3.45Å; T138-A153 WeakPolarHBondContact O-CA 3.3Å; I139-A153 HydrophobicContact CD1-CB 4.04Å; A153-D155 VanDerWaalsContact C-N 3.25Å; A153-D155 WeakPolarHBondContact CB-OD1 3.44Å; A153-D155 PolarHBondContact O-N 2.83Å; A153-G156 PolarHBondContact O-N 3.22Å; A153-Q157 HydrophobicContact CB-CB 4.24Å; A153-Q157 WeakPolarHBondContact CB-O 3.46Å; A153-Q157 PolarHBondContact N-O 3.31Å; A153-F159 HydrophobicContact CB-CE2 4.19Å
154A93.1Very high96.3Very high10 Ų1013 Ų138%0.0836%0.064CC..THydrogen-bonded Turntrans-64-28.8-176.200000113.7T138 L140 G156 S400T138-A154 HydrophobicContact CG2-CB 4.21Å; T138-A154 WeakPolarHBondContact O-CB 3.4Å; T138-A154 PolarHBondContact O-N 2.91Å; L140-A154 HydrophobicContact CD1-CB 3.95Å; L140-A154 HydrophobicContact CD2-CB 4.02Å; L140-A154 HydrophobicContact CG-CB 3.9Å; A154-G156 PolarHBondContact O-N 3.15Å; A154-S400 WeakPolarHBondContact O-CB 3.29Å; A154-S400 PolarHBondContact O-N 2.78Å; A154-S400 PolarHBondContact O-OG 3.21Å
155D92.3Very high96.2Very high8 Ų815.6 Ų15.64%0.0438%0.082CC..THydrogen-bonded Turntrans-83.28.3174.473-18.4000112.5A153 Q157 Q428 S432A153-D155 VanDerWaalsContact C-N 3.25Å; A153-D155 WeakPolarHBondContact CB-OD1 3.44Å; A153-D155 PolarHBondContact O-N 2.83Å; D155-Q157 VanDerWaalsContact C-N 3.26Å; D155-Q157 PolarHBondContact O-N 3.27Å; D155-Q157 VanDerWaalsContact OD1-CB 3.3Å; D155-Q157 WeakPolarHBondContact OD1-CB 3.43Å; D155-Q157 WeakPolarHBondContact OD1-CG 3.12Å; D155-Q157 PolarHBondContact OD1-N 3.38Å; D155-Q157 VanDerWaalsContact OD2-CG 3.26Å; D155-Q157 WeakPolarHBondContact OD2-CG 3.35Å; D155-Q157 PolarHBondContact OD2-NE2 2.89Å; D155-Q428 HydrophobicContact CB-CB 4.5Å; D155-S432 WeakPolarHBondContact O-CB 3.5Å; D155-S432 PolarHBondContact O-OG 2.86Å
156G92.9Very high96.2Very high9 Ų918.2 Ų18.29%0.0939%0.094CC..SBendtrans77.26.1-178.700000114.2A153 A154A153-G156 PolarHBondContact O-N 3.22Å; A154-G156 PolarHBondContact O-N 3.15Å
157Q93.7Very high96.2Very high38 Ų3817.3 Ų17.318%0.1789%0.089CC..  trans-68.4136.2168.7-67.6-176.229.400110.7A153 D155 F159A153-Q157 HydrophobicContact CB-CB 4.24Å; A153-Q157 WeakPolarHBondContact CB-O 3.46Å; A153-Q157 PolarHBondContact N-O 3.31Å; D155-Q157 VanDerWaalsContact C-N 3.26Å; D155-Q157 PolarHBondContact O-N 3.27Å; D155-Q157 VanDerWaalsContact OD1-CB 3.3Å; D155-Q157 WeakPolarHBondContact OD1-CB 3.43Å; D155-Q157 WeakPolarHBondContact OD1-CG 3.12Å; D155-Q157 PolarHBondContact OD1-N 3.38Å; D155-Q157 VanDerWaalsContact OD2-CG 3.26Å; D155-Q157 WeakPolarHBondContact OD2-CG 3.35Å; D155-Q157 PolarHBondContact OD2-NE2 2.89Å; Q157-F159 HydrophobicContact CB-CE2 3.66Å; Q157-F159 HydrophobicContact CB-CZ 4.01Å
158F95.9Very high96.3Very high4 Ų413.4 Ų13.42%0.0188%0.075CC..EExtended strand (participates in β ladder)trans-116.2129.9-178.3-179.5-125.5000110.9L150 A151 T160 R183 V184 L187 L192 V195 W214L150-F158 HydrophobicContact CB-CE2 3.88Å; L150-F158 HydrophobicContact CB-CZ 4.03Å; L150-F158 HydrophobicContact CD1-CZ 4.28Å; L150-F158 HydrophobicContact CD2-CZ 4Å; L150-F158 HydrophobicContact CG-CZ 4.32Å; A151-F158 VanDerWaalsContact O-CD2 3.26Å; A151-F158 WeakPolarHBondContact O-CD2 3.35Å; F158-T160 HydrophobicContact CD1-CG2 4.38Å; F158-T160 HydrophobicContact CE1-CG2 3.62Å; F158-T160 HydrophobicContact CE2-CG2 4.36Å; F158-T160 HydrophobicContact CZ-CG2 3.61Å; F158-R183 WeakPolarHBondContact O-CA 3.18Å; F158-V184 HydrophobicContact CD1-CB 3.68Å; F158-V184 HydrophobicContact CD1-CG1 4.15Å; F158-V184 HydrophobicContact CD1-CG2 3.73Å; F158-V184 HydrophobicContact CE1-CB 4.27Å; F158-V184 HydrophobicContact CE1-CG2 3.91Å; F158-V184 PolarHBondContact O-N 2.96Å; F158-L187 HydrophobicContact CD1-CD1 3.91Å; F158-L187 HydrophobicContact CE1-CD1 4.22Å; F158-L192 HydrophobicContact CB-CD1 4.1Å; F158-L192 HydrophobicContact CG-CD1 4.33Å; F158-V195 HydrophobicContact CD2-CG1 3.75Å; F158-V195 HydrophobicContact CE2-CB 3.99Å; F158-V195 HydrophobicContact CE2-CG1 3.39Å; F158-V195 HydrophobicContact CZ-CG1 4.16Å; F158-W214 AromaticContact CE1-CH2 3.62Å; F158-W214 HydrophobicContact CE1-CH2 3.62Å; F158-W214 AromaticContact CE1-CZ2 3.55Å; F158-W214 HydrophobicContact CE1-CZ2 3.55Å; F158-W214 AromaticContact CZ-CH2 3.98Å; F158-W214 HydrophobicContact CZ-CH2 3.98Å; F158-W214 AromaticContact CZ-CZ2 3.9Å; F158-W214 HydrophobicContact CZ-CZ2 3.9Å
159F97.4Very high96.2Very high18 Ų1813.4 Ų13.48%0.0798%0.075CC..EExtended strand (participates in β ladder)trans-122.3142.1-175.3-61.1-88.8000112.1L134 Q137 L150 A151 A153 Q157 W161 P181 Q182 R183L134-F159 HydrophobicContact CD2-CB 4.23Å; L134-F159 HydrophobicContact CD2-CD1 3.89Å; L134-F159 HydrophobicContact CD2-CD2 3.84Å; L134-F159 HydrophobicContact CD2-CE1 4.17Å; L134-F159 HydrophobicContact CD2-CE2 4.13Å; L134-F159 HydrophobicContact CD2-CG 3.72Å; L134-F159 HydrophobicContact CD2-CZ 4.29Å; Q137-F159 HydrophobicContact CG-CE2 4.2Å; Q137-F159 HydrophobicContact CG-CZ 4.15Å; L150-F159 CarbonylContact C-O 3.33Å; L150-F159 WeakPolarHBondContact CA-O 3.26Å; A151-F159 HydrophobicContact CB-CB 4.49Å; A151-F159 PolarHBondContact N-O 3.3Å; A151-F159 PolarHBondContact O-N 2.95Å; A153-F159 HydrophobicContact CB-CE2 4.19Å; Q157-F159 HydrophobicContact CB-CE2 3.66Å; Q157-F159 HydrophobicContact CB-CZ 4.01Å; F159-W161 HydrophobicContact CB-CZ3 4.34Å; F159-P181 HydrophobicContact CB-CB 4.3Å; F159-P181 HydrophobicContact CD1-CB 4.44Å; F159-Q182 CarbonylContact C-O 3.57Å; F159-Q182 WeakPolarHBondContact CA-O 3.23Å; F159-R183 HydrophobicContact CD1-CB 4.15Å; F159-R183 HydrophobicContact CE1-CB 3.96Å; F159-R183 HydrophobicContact CE1-CG 4.39Å
160T98.1Very high96.2Very high0 Ų013.4 Ų13.40%08%0.075CC..EExtended strand (participates in β ladder)trans-137.4146.6177.662.40000111.6C149 L150 F158 L169 Q182 V184C149-T160 WeakPolarHBondContact O-CA 3.25Å; L150-T160 HydrophobicContact CD2-CG2 3.44Å; L150-T160 VanDerWaalsContact CD2-CG2 3.44Å; F158-T160 HydrophobicContact CD1-CG2 4.38Å; F158-T160 HydrophobicContact CE1-CG2 3.62Å; F158-T160 HydrophobicContact CE2-CG2 4.36Å; F158-T160 HydrophobicContact CZ-CG2 3.61Å; T160-L169 WeakPolarHBondContact CB-O 3.48Å; T160-L169 WeakPolarHBondContact CG2-O 3.14Å; T160-L169 PolarHBondContact OG1-O 3.09Å; T160-Q182 PolarHBondContact N-O 2.9Å; T160-Q182 PolarHBondContact O-N 3.11Å; T160-V184 HydrophobicContact CG2-CG2 3.58Å; T160-V184 WeakPolarHBondContact OG1-CG2 3.45Å
161W97.9Very high96Very high0 Ų014.7 Ų14.70%08%0.081CC..EExtended strand (participates in β ladder)trans-158.1168.6174.76396000112.2L97 L105 Q115 G117 I131 L134 H148 C149 A151 F159 L169 P181L97-W161 HydrophobicContact CD1-CZ2 4.23Å; L105-W161 HydrophobicContact CD2-CH2 3.65Å; L105-W161 HydrophobicContact CD2-CZ2 3.98Å; Q115-W161 VanDerWaalsContact O-CD1 3.3Å; Q115-W161 PolarHBondContact O-NE1 3.19Å; G117-W161 VanDerWaalsContact CA-CD1 3.45Å; I131-W161 HydrophobicContact CD1-CZ2 3.81Å; L134-W161 HydrophobicContact CD1-CH2 4.09Å; L134-W161 HydrophobicContact CD1-CZ3 4.08Å; H148-W161 CarbonylContact C-O 3.52Å; H148-W161 VanDerWaalsContact CA-O 3.29Å; H148-W161 WeakPolarHBondContact CA-O 3.26Å; H148-W161 WeakPolarHBondContact CB-O 3.15Å; C149-W161 HydrophobicContact CB-CD2 3.81Å; C149-W161 HydrophobicContact CB-CE3 4.32Å; C149-W161 HydrophobicContact CB-CG 4.35Å; C149-W161 HydrophobicContact CB-CH2 3.87Å; C149-W161 HydrophobicContact CB-CZ2 3.3Å; C149-W161 HydrophobicContact CB-CZ3 4.34Å; C149-W161 PolarHBondContact N-O 3.01Å; C149-W161 PolarHBondContact O-N 2.9Å; C149-W161 VanDerWaalsContact O-N 3.11Å; A151-W161 HydrophobicContact CB-CH2 3.84Å; A151-W161 HydrophobicContact CB-CZ3 3.74Å; F159-W161 HydrophobicContact CB-CZ3 4.34Å; W161-L169 VanDerWaalsContact C-CD2 3.49Å; W161-L169 WeakPolarHBondContact O-CD2 3.32Å; W161-P181 HydrophobicContact CD2-CB 4.27Å; W161-P181 HydrophobicContact CD2-CG 3.88Å; W161-P181 HydrophobicContact CE3-CB 3.72Å; W161-P181 HydrophobicContact CE3-CG 3.75Å; W161-P181 HydrophobicContact CG-CG 4.34Å; W161-P181 HydrophobicContact CZ3-CB 4.23Å; W161-P181 HydrophobicContact CZ3-CG 4.21Å
162G97.1Very high95.8Very high0 Ų015.4 Ų15.40%09%0.088CC..EExtended strand (participates in β ladder)trans103.6-148.4-175.500000113D113 S177 Q178D113-G162 CarbonylContact O-C 3.45Å; D113-G162 WeakPolarHBondContact O-CA 3.45Å; G162-S177 CarbonylContact O-C 3.47Å; G162-S177 WeakPolarHBondContact O-CA 3.41Å; G162-S177 WeakPolarHBondContact O-CB 3.33Å; G162-Q178 PolarHBondContact N-O 3.28Å; G162-Q178 PolarHBondContact O-N 2.93Å
163K96.8Very high95.1Very high51 Ų5123.3 Ų23.322%0.22212%0.123CC..  trans-65.8138.7-176.4-167.1172.7-176.2175.80111.9D113 W147 S165 Q168 S177D113-K163 HydrophobicContact CB-CB 4Å; W147-K163 HydrophobicContact CB-CB 3.74Å; W147-K163 HydrophobicContact CB-CD 3.94Å; W147-K163 HydrophobicContact CD2-CD 4.28Å; W147-K163 HydrophobicContact CE3-CD 4.14Å; W147-K163 HydrophobicContact CG-CD 4.22Å; W147-K163 WeakPolarHBondContact O-CB 3.22Å; W147-K163 PolarHBondContact O-N 3.33Å; K163-S165 WeakPolarHBondContact CE-OG 3.33Å; K163-Q168 WeakPolarHBondContact O-CG 3.45Å; K163-Q168 PolarHBondContact O-NE2 2.92Å; K163-S177 WeakPolarHBondContact CA-OG 3.3Å
164N96.6Very high94.7Very high15 Ų1531.9 Ų31.98%0.0816%0.163CC..  trans-129.225.2177.3-156.236.8000114.9H166 G167 Q168 L169 F175 S177N164-H166 PolarHBondContact O-N 2.72Å; N164-G167 PolarHBondContact O-N 3.4Å; N164-G167 VanDerWaalsContact O-N 3.14Å; N164-G167 WeakPolarHBondContact OD1-CA 3.33Å; N164-Q168 VanDerWaalsContact CA-OE1 3.27Å; N164-Q168 PolarHBondContact OD1-N 3.39Å; N164-L169 HydrophobicContact CB-CB 4.43Å; N164-L169 HydrophobicContact CB-CD1 3.71Å; N164-L169 HydrophobicContact CB-CG 3.74Å; N164-L169 VanDerWaalsContact OD1-CB 3.29Å; N164-L169 WeakPolarHBondContact OD1-CB 3.46Å; N164-L169 WeakPolarHBondContact OD1-CG 3.33Å; N164-L169 PolarHBondContact OD1-N 2.89Å; N164-F175 PolarHBondContact ND2-O 3.48Å; N164-S177 PolarHBondContact N-OG 2.9Å; N164-S177 VanDerWaalsContact N-OG 3.13Å
165S95.5Very high94.6Very high68 Ų6835.8 Ų35.848%0.47618%0.178SC..THydrogen-bonded Turntrans-63-22.9-175.159.90000114.9K163K163-S165 WeakPolarHBondContact CE-OG 3.33Å
166H96Very high94.7Very high57 Ų5739.8 Ų39.826%0.26420%0.204SC..THydrogen-bonded Turntrans-116.410.8178.2-53.1112.4000111.5N164 G215 M216 D229N164-H166 PolarHBondContact O-N 2.72Å; H166-G215 CarbonylContact O-C 3.27Å; H166-G215 VanDerWaalsContact O-C 3.26Å; H166-G215 VanDerWaalsContact O-CA 3.28Å; H166-G215 WeakPolarHBondContact O-CA 3.06Å; H166-M216 HydrophobicContact CB-CB 3.86Å; H166-D229 IonicContact CD2-OD2 2.66Å; H166-D229 PolarHBondContact CD2-OD2 2.95Å; H166-D229 IonicContact CG-OD2 3.9Å
167G96.3Very high94.8Very high3 Ų341.9 Ų41.93%0.03122%0.218CC..SBendtrans7814.5-176.900000115.2N164 L169 G170N164-G167 PolarHBondContact O-N 3.4Å; N164-G167 VanDerWaalsContact O-N 3.14Å; N164-G167 WeakPolarHBondContact OD1-CA 3.33Å; G167-L169 PolarHBondContact O-N 3.31Å; G167-G170 PolarHBondContact O-N 2.91Å
168Q97Very high95Very high0 Ų041.5 Ų41.50%022%0.216CC..THydrogen-bonded Turntrans-62.7-12.1-17563.7-97.560.400115.4H148 K163 N164 A200 S202 W214H148-Q168 HydrophobicContact CB-CG 4.25Å; K163-Q168 WeakPolarHBondContact O-CG 3.45Å; K163-Q168 PolarHBondContact O-NE2 2.92Å; N164-Q168 VanDerWaalsContact CA-OE1 3.27Å; N164-Q168 PolarHBondContact OD1-N 3.39Å; Q168-A200 WeakPolarHBondContact CB-O 3.37Å; Q168-S202 PolarHBondContact O-OG 3.06Å; Q168-W214 PolarHBondContact O-NE1 2.57Å
169L97.6Very high94.9Very high0 Ų042.3 Ų42.30%022%0.223CC..THydrogen-bonded Turntrans-80.9-19.1171.7-56.2-170.7000113H148 T160 W161 N164 G167 L171 Q178H148-L169 HydrophobicContact CB-CD2 3.82Å; T160-L169 WeakPolarHBondContact CB-O 3.48Å; T160-L169 WeakPolarHBondContact CG2-O 3.14Å; T160-L169 PolarHBondContact OG1-O 3.09Å; W161-L169 VanDerWaalsContact C-CD2 3.49Å; W161-L169 WeakPolarHBondContact O-CD2 3.32Å; N164-L169 HydrophobicContact CB-CB 4.43Å; N164-L169 HydrophobicContact CB-CD1 3.71Å; N164-L169 HydrophobicContact CB-CG 3.74Å; N164-L169 VanDerWaalsContact OD1-CB 3.29Å; N164-L169 WeakPolarHBondContact OD1-CB 3.46Å; N164-L169 WeakPolarHBondContact OD1-CG 3.33Å; N164-L169 PolarHBondContact OD1-N 2.89Å; G167-L169 PolarHBondContact O-N 3.31Å; L169-L171 VanDerWaalsContact C-N 3.28Å; L169-L171 HydrophobicContact CB-CD1 3.95Å; L169-L171 HydrophobicContact CB-CG 3.91Å; L169-L171 HydrophobicContact CD1-CD1 4.01Å; L169-L171 PolarHBondContact O-N 2.76Å; L169-Q178 HydrophobicContact CD1-CB 3.9Å; L169-Q178 HydrophobicContact CD1-CG 3.69Å
170G96.6Very high94.8Very high0 Ų042.8 Ų42.80%023%0.229CC..  trans7316.7176.400000114.8G167 W214 E231 P233G167-G170 PolarHBondContact O-N 2.91Å; G170-W214 VanDerWaalsContact N-CD1 3.35Å; G170-E231 CarbonylContact C-O 3.26Å; G170-E231 VanDerWaalsContact C-O 3.27Å; G170-E231 WeakPolarHBondContact CA-O 3.43Å; G170-P233 WeakPolarHBondContact O-CD 3.26Å
171L95.4Very high94.8Very high28 Ų2842.9 Ų42.915%0.14723%0.23CC..SBendtrans-84.9-9.3-175.8-58.5173.7000113.5L169 F175 Q178 Q182 V184 E231L169-L171 VanDerWaalsContact C-N 3.28Å; L169-L171 HydrophobicContact CB-CD1 3.95Å; L169-L171 HydrophobicContact CB-CG 3.91Å; L169-L171 HydrophobicContact CD1-CD1 4.01Å; L169-L171 PolarHBondContact O-N 2.76Å; L171-F175 HydrophobicContact CB-CB 3.83Å; L171-F175 HydrophobicContact CB-CD1 4.38Å; L171-F175 HydrophobicContact CB-CD2 3.79Å; L171-F175 HydrophobicContact CB-CE2 4.48Å; L171-F175 HydrophobicContact CB-CG 3.73Å; L171-F175 HydrophobicContact CD1-CB 4.22Å; L171-F175 HydrophobicContact CD1-CD1 4.37Å; L171-F175 HydrophobicContact CD1-CG 4.34Å; L171-F175 WeakPolarHBondContact O-CD2 3.22Å; L171-F175 VanDerWaalsContact O-CE2 3.32Å; L171-F175 WeakPolarHBondContact O-CE2 3.29Å; L171-Q178 HydrophobicContact CD1-CG 3.78Å; L171-Q182 HydrophobicContact CD1-CB 3.68Å; L171-Q182 HydrophobicContact CD1-CG 3.9Å; L171-Q182 HydrophobicContact CD2-CB 3.77Å; L171-Q182 HydrophobicContact CG-CB 4.39Å; L171-V184 HydrophobicContact CD2-CG2 4.03Å; L171-E231 PolarHBondContact N-O 3.09Å
172G92.4Very high94.7Very high14 Ų1445.5 Ų45.514%0.14424%0.242CC..  trans99.5171.6-173.600000113.6E174 F175 E231G172-E174 VanDerWaalsContact C-N 3.25Å; G172-E174 PolarHBondContact O-N 3.15Å; G172-F175 PolarHBondContact O-N 3.02Å; G172-E231 WeakPolarHBondContact CA-O 3.12Å; G172-E231 PolarHBondContact N-O 3.45Å
173K83.8Confident94.6Very high166 Ų16649.3 Ų49.372%0.72226%0.256SS*.THydrogen-bonded Turntrans-58.9-30.3-171-164156.8-174.9177.30115.7F175 E231K173-F175 VanDerWaalsContact C-N 3.3Å; K173-F175 PolarHBondContact O-N 2.91Å; K173-E231 WeakPolarHBondContact CA-OE2 3.35Å; K173-E231 WeakPolarHBondContact CB-OE2 3.14Å; K173-E231 WeakPolarHBondContact CD-OE2 3.44Å; K173-E231 WeakPolarHBondContact CG-OE2 3.44Å; K173-E231 PolarHBondContact N-OE2 2.96Å
174E87.1Confident94.6Very high180 Ų18047.1 Ų47.184%0.84125%0.247SC*.THydrogen-bonded Turntrans-84.4-7.3-168.4-59.1-174.716700113G172G172-E174 VanDerWaalsContact C-N 3.25Å; G172-E174 PolarHBondContact O-N 3.15Å
175F90.8Very high94.4Very high93 Ų9355.5 Ų55.541%0.40828%0.277SS..  trans-98.7121.4-172.9-70.6-90.7000111.8N164 L171 G172 K173N164-F175 PolarHBondContact ND2-O 3.48Å; L171-F175 HydrophobicContact CB-CB 3.83Å; L171-F175 HydrophobicContact CB-CD1 4.38Å; L171-F175 HydrophobicContact CB-CD2 3.79Å; L171-F175 HydrophobicContact CB-CE2 4.48Å; L171-F175 HydrophobicContact CB-CG 3.73Å; L171-F175 HydrophobicContact CD1-CB 4.22Å; L171-F175 HydrophobicContact CD1-CD1 4.37Å; L171-F175 HydrophobicContact CD1-CG 4.34Å; L171-F175 WeakPolarHBondContact O-CD2 3.22Å; L171-F175 VanDerWaalsContact O-CE2 3.32Å; L171-F175 WeakPolarHBondContact O-CE2 3.29Å; G172-F175 PolarHBondContact O-N 3.02Å; K173-F175 VanDerWaalsContact C-N 3.3Å; K173-F175 PolarHBondContact O-N 2.91Å
176P94Very high94.3Very high91 Ų9154.3 Ų54.359%0.59127%0.269SS*.  trans-74.8-175.8169.233.5-36000111Q178P176-Q178 WeakPolarHBondContact O-CG 3.19Å; P176-Q178 PolarHBondContact O-NE2 2.71Å
177S95.4Very high94.2Very high53 Ų5351.8 Ų51.837%0.37126%0.258SS..  trans-52141.1168.6-56.50000111.5G162 K163 N164G162-S177 CarbonylContact O-C 3.47Å; G162-S177 WeakPolarHBondContact O-CA 3.41Å; G162-S177 WeakPolarHBondContact O-CB 3.33Å; K163-S177 WeakPolarHBondContact CA-OG 3.3Å; N164-S177 PolarHBondContact N-OG 2.9Å; N164-S177 VanDerWaalsContact N-OG 3.13Å
178Q96.6Very high94Very high31 Ų3154.7 Ų54.715%0.14527%0.27CS..EExtended strand (participates in β ladder)trans-118121.6-171.3-62.5-62.4-49.400111G162 L169 L171 P176 S180 Q182G162-Q178 PolarHBondContact N-O 3.28Å; G162-Q178 PolarHBondContact O-N 2.93Å; L169-Q178 HydrophobicContact CD1-CB 3.9Å; L169-Q178 HydrophobicContact CD1-CG 3.69Å; L171-Q178 HydrophobicContact CD1-CG 3.78Å; P176-Q178 WeakPolarHBondContact O-CG 3.19Å; P176-Q178 PolarHBondContact O-NE2 2.71Å; Q178-S180 VanDerWaalsContact C-N 3.28Å; Q178-S180 PolarHBondContact O-N 3Å; Q178-Q182 HydrophobicContact CB-CG 4.02Å; Q178-Q182 HydrophobicContact CG-CG 3.71Å
179A95.3Very high93.9Very high20 Ų2055 Ų5517%0.16527%0.274CS..EExtended strand (participates in β ladder)trans-84-0.4175.900000114.1G117 L118 M119 T121G117-A179 CarbonylContact C-O 3.56Å; G117-A179 WeakPolarHBondContact CA-O 3.32Å; L118-A179 PolarHBondContact N-O 3.01Å; M119-A179 WeakPolarHBondContact CA-O 3.45Å; M119-A179 PolarHBondContact N-O 2.61Å; T121-A179 HydrophobicContact CG2-CB 3.75Å
180S95.3Very high93.8Very high28 Ų2855.1 Ų55.120%0.19627%0.274CS..EExtended strand (participates in β ladder)trans-135.6145.5175.660.90000110.8Q178 Q182Q178-S180 VanDerWaalsContact C-N 3.28Å; Q178-S180 PolarHBondContact O-N 3Å; S180-Q182 PolarHBondContact O-N 2.85Å; S180-Q182 PolarHBondContact O-NE2 3.35Å; S180-Q182 VanDerWaalsContact O-NE2 3.12Å; S180-Q182 PolarHBondContact OG-NE2 3.03Å
181P97Very high93.7Very high3 Ų355.1 Ų55.12%0.01927%0.274CS..EExtended strand (participates in β ladder)trans-50.5121.7175.8-2834.8000112.8G117 I131 K133 L134 F159 W161G117-P181 WeakPolarHBondContact O-CD 3.36Å; I131-P181 HydrophobicContact CG2-CG 3.65Å; K133-P181 HydrophobicContact CB-CG 4.39Å; L134-P181 HydrophobicContact CD1-CB 4.13Å; L134-P181 HydrophobicContact CD1-CG 3.85Å; L134-P181 HydrophobicContact CD2-CB 3.81Å; L134-P181 HydrophobicContact CD2-CG 4.27Å; L134-P181 HydrophobicContact CG-CB 3.97Å; L134-P181 HydrophobicContact CG-CG 3.86Å; F159-P181 HydrophobicContact CB-CB 4.3Å; F159-P181 HydrophobicContact CD1-CB 4.44Å; W161-P181 HydrophobicContact CD2-CB 4.27Å; W161-P181 HydrophobicContact CD2-CG 3.88Å; W161-P181 HydrophobicContact CE3-CB 3.72Å; W161-P181 HydrophobicContact CE3-CG 3.75Å; W161-P181 HydrophobicContact CG-CG 4.34Å; W161-P181 HydrophobicContact CZ3-CB 4.23Å; W161-P181 HydrophobicContact CZ3-CG 4.21Å
182Q96.6Very high93.8Very high55 Ų5553.8 Ų53.826%0.25727%0.268SS..EExtended strand (participates in β ladder)trans-110142176-62.5-51.5-49.100110.8F159 T160 L171 Q178 S180F159-Q182 CarbonylContact C-O 3.57Å; F159-Q182 WeakPolarHBondContact CA-O 3.23Å; T160-Q182 PolarHBondContact N-O 2.9Å; T160-Q182 PolarHBondContact O-N 3.11Å; L171-Q182 HydrophobicContact CD1-CB 3.68Å; L171-Q182 HydrophobicContact CD1-CG 3.9Å; L171-Q182 HydrophobicContact CD2-CB 3.77Å; L171-Q182 HydrophobicContact CG-CB 4.39Å; Q178-Q182 HydrophobicContact CB-CG 4.02Å; Q178-Q182 HydrophobicContact CG-CG 3.71Å; S180-Q182 PolarHBondContact O-N 2.85Å; S180-Q182 PolarHBondContact O-NE2 3.35Å; S180-Q182 VanDerWaalsContact O-NE2 3.12Å; S180-Q182 PolarHBondContact OG-NE2 3.03Å
183R95.2Very high93.9Very high80 Ų8053.3 Ų53.330%0.30226%0.262SS..EExtended strand (participates in β ladder)trans-82.2129.1179.4-172.9174173.4-163.2-7.6111F158 F159 R185 E188F158-R183 WeakPolarHBondContact O-CA 3.18Å; F159-R183 HydrophobicContact CD1-CB 4.15Å; F159-R183 HydrophobicContact CE1-CB 3.96Å; F159-R183 HydrophobicContact CE1-CG 4.39Å; R183-R185 PolarHBondContact O-N 2.84Å; R183-E188 IonicContact CZ-OE1 3.18Å; R183-E188 IonicContact NH1-OE1 2.84Å; R183-E188 VanDerWaalsContact NH2-CD 3.32Å; R183-E188 IonicContact NH2-OE1 2.81Å; R183-E188 PolarHBondContact NH2-OE1 2.83Å
184V95.4Very high94.5Very high4 Ų446.6 Ų46.62%0.02423%0.233CC..  trans-88.397.5177.5-178.40000109.8F158 T160 L171 S186 L187 P233F158-V184 HydrophobicContact CD1-CB 3.68Å; F158-V184 HydrophobicContact CD1-CG1 4.15Å; F158-V184 HydrophobicContact CD1-CG2 3.73Å; F158-V184 HydrophobicContact CE1-CB 4.27Å; F158-V184 HydrophobicContact CE1-CG2 3.91Å; F158-V184 PolarHBondContact O-N 2.96Å; T160-V184 HydrophobicContact CG2-CG2 3.58Å; T160-V184 WeakPolarHBondContact OG1-CG2 3.45Å; L171-V184 HydrophobicContact CD2-CG2 4.03Å; V184-S186 VanDerWaalsContact C-N 3.3Å; V184-S186 WeakPolarHBondContact CG1-OG 3.43Å; V184-S186 PolarHBondContact O-N 2.87Å; V184-L187 HydrophobicContact CG1-CD1 4.47Å; V184-L187 HydrophobicContact CG1-CG 4.49Å; V184-P233 HydrophobicContact CG1-CG 4.01Å
185R92.6Very high95Very high192 Ų19238.3 Ų38.373%0.72520%0.195SC*.G310 helixtrans-72.4-21.5-176.8-64.1-176.6-178.2150.10.4114R183 L187 E188R183-R185 PolarHBondContact O-N 2.84Å; R185-L187 PolarHBondContact O-N 3.05Å; R185-L187 VanDerWaalsContact O-N 3.12Å; R185-E188 VanDerWaalsContact O-CB 3.23Å; R185-E188 WeakPolarHBondContact O-CB 3.14Å; R185-E188 PolarHBondContact O-N 3.11Å; R185-E188 VanDerWaalsContact O-N 3.09Å
186S92.9Very high95.3Very high43 Ų4334.2 Ų34.230%0.30118%0.178SC..G310 helixtrans-69.7-1.5179.146.60000114.4V184 P233 P499V184-S186 VanDerWaalsContact C-N 3.3Å; V184-S186 WeakPolarHBondContact CG1-OG 3.43Å; V184-S186 PolarHBondContact O-N 2.87Å; S186-P233 VanDerWaalsContact OG-CD 3.22Å; S186-P233 WeakPolarHBondContact OG-CD 3.49Å; S186-P233 WeakPolarHBondContact OG-CG 3.28Å; S186-P499 WeakPolarHBondContact O-CB 3.33Å
187L94.8Very high95.4Very high4 Ų430.4 Ų30.42%0.02116%0.155CC..G310 helixtrans-121.911.3171.4-64.1173.7000112.3F158 V184 R185 G189 I190 A204 F212 W214 P233F158-L187 HydrophobicContact CD1-CD1 3.91Å; F158-L187 HydrophobicContact CE1-CD1 4.22Å; V184-L187 HydrophobicContact CG1-CD1 4.47Å; V184-L187 HydrophobicContact CG1-CG 4.49Å; R185-L187 PolarHBondContact O-N 3.05Å; R185-L187 VanDerWaalsContact O-N 3.12Å; L187-G189 PolarHBondContact O-N 2.83Å; L187-I190 HydrophobicContact CD2-CD1 3.94Å; L187-I190 WeakPolarHBondContact O-CB 3.47Å; L187-I190 PolarHBondContact O-N 3.09Å; L187-A204 HydrophobicContact CD1-CB 3.82Å; L187-F212 HydrophobicContact CD2-CB 4.14Å; L187-F212 HydrophobicContact CD2-CD1 3.99Å; L187-F212 HydrophobicContact CD2-CD2 4.08Å; L187-F212 HydrophobicContact CD2-CE1 4.44Å; L187-F212 HydrophobicContact CD2-CG 3.8Å; L187-W214 HydrophobicContact CD1-CH2 4.1Å; L187-W214 HydrophobicContact CD1-CZ3 4.15Å; L187-P233 HydrophobicContact CD1-CB 4.2Å; L187-P233 HydrophobicContact CD1-CG 3.96Å; L187-P233 HydrophobicContact CD2-CB 3.79Å; L187-P233 HydrophobicContact CD2-CG 4.29Å; L187-P233 HydrophobicContact CG-CB 3.98Å; L187-P233 HydrophobicContact CG-CG 3.9Å
188E92.9Very high95.5Very high63 Ų6328.1 Ų28.129%0.29414%0.139SC..THydrogen-bonded Turntrans-62.5133-176.1-174.5164.5-154.700112.3R183 R185 I190 P499R183-E188 IonicContact CZ-OE1 3.18Å; R183-E188 IonicContact NH1-OE1 2.84Å; R183-E188 VanDerWaalsContact NH2-CD 3.32Å; R183-E188 IonicContact NH2-OE1 2.81Å; R183-E188 PolarHBondContact NH2-OE1 2.83Å; R185-E188 VanDerWaalsContact O-CB 3.23Å; R185-E188 WeakPolarHBondContact O-CB 3.14Å; R185-E188 PolarHBondContact O-N 3.11Å; R185-E188 VanDerWaalsContact O-N 3.09Å; E188-I190 VanDerWaalsContact C-N 3.27Å; E188-I190 PolarHBondContact O-N 3.23Å; E188-P499 VanDerWaalsContact O-CG 3.31Å; E188-P499 WeakPolarHBondContact O-CG 3.45Å
189G93.6Very high95.4Very high8 Ų826.8 Ų26.88%0.08213%0.133CC..THydrogen-bonded Turntrans82-6-179.100000115L187 A434 N437L187-G189 PolarHBondContact O-N 2.83Å; G189-A434 WeakPolarHBondContact O-CA 3.44Å; G189-N437 PolarHBondContact O-ND2 3.2Å
190I95.9Very high95.5Very high1 Ų126.2 Ų26.21%0.00513%0.129CC..  trans-82.6126.6174.7-55.8177.6000108.8L187 E188 L192 F212 P499 D500 E502 A503L187-I190 HydrophobicContact CD2-CD1 3.94Å; L187-I190 WeakPolarHBondContact O-CB 3.47Å; L187-I190 PolarHBondContact O-N 3.09Å; E188-I190 VanDerWaalsContact C-N 3.27Å; E188-I190 PolarHBondContact O-N 3.23Å; I190-L192 HydrophobicContact CB-CD2 4.41Å; I190-L192 HydrophobicContact CG2-CD2 4Å; I190-L192 PolarHBondContact O-N 2.85Å; I190-F212 HydrophobicContact CD1-CE1 4.27Å; I190-F212 HydrophobicContact CD1-CE2 4.13Å; I190-F212 HydrophobicContact CD1-CZ 3.75Å; I190-F212 HydrophobicContact CG2-CE2 4.34Å; I190-P499 HydrophobicContact CD1-CG 4.2Å; I190-P499 HydrophobicContact CG1-CG 4.35Å; I190-D500 HydrophobicContact CD1-CB 3.7Å; I190-D500 HydrophobicContact CG1-CB 4.31Å; I190-E502 HydrophobicContact CG2-CB 4.33Å; I190-A503 HydrophobicContact CG1-CB 4.23Å
191P95.4Very high95.7Very high0 Ų024.9 Ų24.90%012%0.119CC..  trans-72.1102.1175.928.3-32.2000110.4S206 L207 N437P191-S206 CarbonylContact O-C 3.32Å; P191-S206 WeakPolarHBondContact O-CA 2.9Å; P191-L207 HydrophobicContact CB-CB 4.4Å; P191-L207 HydrophobicContact CB-CD1 3.92Å; P191-L207 HydrophobicContact CB-CG 4.24Å; P191-L207 PolarHBondContact O-N 2.93Å; P191-N437 HydrophobicContact CG-CB 4.43Å
192L96.4Very high95.8Very high1 Ų124.7 Ų24.71%0.00512%0.118CC..EExtended strand (participates in β ladder)trans-83.4135.2-177.3-63.1-178.2000112.3L152 F158 I190 A204 L205 T399L152-L192 HydrophobicContact CD1-CB 3.95Å; L152-L192 HydrophobicContact CD1-CD1 3.95Å; L152-L192 HydrophobicContact CD2-CB 4.06Å; F158-L192 HydrophobicContact CB-CD1 4.1Å; F158-L192 HydrophobicContact CG-CD1 4.33Å; I190-L192 HydrophobicContact CB-CD2 4.41Å; I190-L192 HydrophobicContact CG2-CD2 4Å; I190-L192 PolarHBondContact O-N 2.85Å; L192-A204 HydrophobicContact CD1-CB 4.45Å; L192-A204 HydrophobicContact CD2-CB 4.09Å; L192-L205 WeakPolarHBondContact CA-O 3.32Å; L192-T399 PolarHBondContact N-OG1 3.49Å; L192-T399 PolarHBondContact O-N 3.3Å; L192-T399 PolarHBondContact O-OG1 2.75Å
193A95.2Very high95.8Very high3 Ų322.1 Ų22.13%0.02511%0.106CC..EExtended strand (participates in β ladder)trans-93-48.5179.600000112.5Q141 L205 L207 M393Q141-A193 PolarHBondContact NE2-O 2.87Å; A193-L205 HydrophobicContact CB-CB 4.21Å; A193-L205 HydrophobicContact CB-CD2 4.12Å; A193-L205 HydrophobicContact CB-CG 3.93Å; A193-L205 WeakPolarHBondContact CB-O 3.21Å; A193-L205 PolarHBondContact N-O 2.85Å; A193-L207 HydrophobicContact CB-CD2 3.98Å; A193-L207 HydrophobicContact CB-CG 4.48Å; A193-M393 HydrophobicContact CB-CE 3.2Å; A193-M393 HydrophobicContact CB-SD 4.3Å
194Q95.8Very high96Very high25 Ų2518.3 Ų18.312%0.1179%0.092CC..EExtended strand (participates in β ladder)trans-150.8146.9-172.8-166.6-170.60.600110.4Q141 A204 L205 Y246 I247Q141-Q194 VanDerWaalsContact OE1-CA 3.3Å; Q194-A204 WeakPolarHBondContact O-CA 3.22Å; Q194-L205 HydrophobicContact CB-CB 4.03Å; Q194-L205 HydrophobicContact CB-CD2 4.26Å; Q194-L205 PolarHBondContact N-O 2.96Å; Q194-L205 PolarHBondContact O-N 2.97Å; Q194-Y246 VanDerWaalsContact NE2-CE2 3.3Å; Q194-I247 PolarHBondContact NE2-O 3.29Å
195V97Very high96Very high7 Ų718.1 Ų18.14%0.0429%0.091CC..EExtended strand (participates in β ladder)trans-117.7139.4165.7-61.20000109.8Q141 L150 L152 F158Q141-V195 HydrophobicContact CB-CG2 4.08Å; Q141-V195 VanDerWaalsContact OE1-N 3.12Å; L150-V195 HydrophobicContact CB-CG2 4.44Å; L152-V195 HydrophobicContact CB-CG1 4.15Å; L152-V195 HydrophobicContact CB-CG2 4.41Å; F158-V195 HydrophobicContact CD2-CG1 3.75Å; F158-V195 HydrophobicContact CE2-CB 3.99Å; F158-V195 HydrophobicContact CE2-CG1 3.39Å; F158-V195 HydrophobicContact CZ-CG1 4.16Å
196A97.2Very high96.2Very high7 Ų79.1 Ų9.16%0.0586%0.057CC..EExtended strand (participates in β ladder)trans-142.3132.4-178.800000110.3F203 I247A196-F203 HydrophobicContact CB-CB 4.41Å; A196-F203 PolarHBondContact N-O 3.35Å; A196-F203 PolarHBondContact O-N 3.5Å; A196-I247 HydrophobicContact CB-CB 4.26Å; A196-I247 HydrophobicContact CB-CG2 4.02Å
197A97.4Very high96.2Very high11 Ų117.6 Ų7.69%0.0915%0.046CC..EExtended strand (participates in β ladder)trans-111.6135.9175.300000110.1S143 C144 G145 L150 C249S143-A197 PolarHBondContact OG-N 2.85Å; C144-A197 VanDerWaalsContact C-CB 3.41Å; G145-A197 VanDerWaalsContact N-CB 3.28Å; L150-A197 HydrophobicContact CD1-CB 3.75Å; L150-A197 HydrophobicContact CG-CB 4.12Å; A197-C249 WeakPolarHBondContact O-CB 3.16Å
198G96.2Very high96.2Very high5 Ų57.6 Ų7.65%0.0525%0.046CC..  trans-98.1-161.3164.900000111.1G145 A200 H201 C249 G250G145-G198 WeakPolarHBondContact CA-O 3.47Å; G198-A200 PolarHBondContact O-N 2.94Å; G198-H201 PolarHBondContact N-O 2.99Å; G198-C249 VanDerWaalsContact CA-CB 3.46Å; G198-G250 WeakPolarHBondContact CA-O 3.42Å
199G95.9Very high96.2Very high2 Ų24.6 Ų4.62%0.0213%0.032CC..SBendtrans-57.2-56.6-176.300000112.9N146 G250 E251N146-G199 VanDerWaalsContact CB-O 3.31Å; N146-G199 WeakPolarHBondContact CB-O 3.24Å; N146-G199 PolarHBondContact N-O 2.85Å; G199-G250 PolarHBondContact N-O 3.18Å; G199-E251 WeakPolarHBondContact CA-O 3.29Å; G199-E251 PolarHBondContact N-O 3.11Å; G199-E251 VanDerWaalsContact N-O 3.09Å
200A97.5Very high96.3Very high8 Ų84.4 Ų4.47%0.0663%0.03CC..SBendtrans-13527.3178.300000112.9Q168 G198 M216Q168-A200 WeakPolarHBondContact CB-O 3.37Å; G198-A200 PolarHBondContact O-N 2.94Å; A200-M216 HydrophobicContact CB-CB 3.88Å; A200-M216 HydrophobicContact CB-SD 3.79Å; A200-M216 WeakPolarHBondContact O-CB 3.2Å; A200-M216 PolarHBondContact O-N 2.88Å
201H98.3Very high96.3Very high0 Ų04.4 Ų4.40%03%0.03CC..EExtended strand (participates in β ladder)trans-140.6166177.867.6-80.6000111.2G198 F203 W214 L222 T254G198-H201 PolarHBondContact N-O 2.99Å; H201-F203 AromaticContact CD2-CD2 3.73Å; H201-F203 AromaticContact CD2-CE2 3.44Å; H201-F203 VanDerWaalsContact CD2-CE2 3.44Å; H201-F203 WeakPolarHBondContact CD2-CE2 3.31Å; H201-F203 AromaticContact NE2-CE2 3.9Å; H201-W214 CarbonylContact C-O 3.57Å; H201-W214 WeakPolarHBondContact CA-O 3.48Å; H201-W214 WeakPolarHBondContact CB-O 3.29Å; H201-L222 HydrophobicContact CB-CD2 3.86Å; H201-T254 PolarHBondContact NE2-OG1 3.26Å; H201-T254 VanDerWaalsContact NE2-OG1 3.13Å
202S98.5Very high96.4Very high0 Ų04.8 Ų4.80%03%0.031CC..EExtended strand (participates in β ladder)trans-143148.3-170.6-62.40000110.6H148 Q168 G213 W214H148-S202 PolarHBondContact CD2-OG 3.41Å; H148-S202 PolarHBondContact NE2-OG 3.13Å; Q168-S202 PolarHBondContact O-OG 3.06Å; S202-G213 WeakPolarHBondContact O-CA 3.48Å; S202-W214 PolarHBondContact N-O 2.81Å; S202-W214 PolarHBondContact O-N 3.06Å
203F98.4Very high96.5Very high0 Ų04.7 Ų4.70%03%0.031CC..EExtended strand (participates in β ladder)trans-134.5146.5179.2-82.7-84.6000111.9A196 H201 V211 F212 G213 L222 V236 I247 T254 F266A196-F203 HydrophobicContact CB-CB 4.41Å; A196-F203 PolarHBondContact N-O 3.35Å; A196-F203 PolarHBondContact O-N 3.5Å; H201-F203 AromaticContact CD2-CD2 3.73Å; H201-F203 AromaticContact CD2-CE2 3.44Å; H201-F203 VanDerWaalsContact CD2-CE2 3.44Å; H201-F203 WeakPolarHBondContact CD2-CE2 3.31Å; H201-F203 AromaticContact NE2-CE2 3.9Å; F203-V211 HydrophobicContact CD1-CG1 3.61Å; F203-V211 HydrophobicContact CE1-CG1 3.8Å; F203-F212 CarbonylContact C-O 3.15Å; F203-F212 VanDerWaalsContact CA-O 3.23Å; F203-F212 WeakPolarHBondContact CA-O 3.5Å; F203-F212 VanDerWaalsContact CD1-O 3.3Å; F203-F212 WeakPolarHBondContact CD1-O 3.34Å; F203-G213 VanDerWaalsContact CE1-CA 3.46Å; F203-L222 HydrophobicContact CE2-CD2 4.25Å; F203-L222 HydrophobicContact CZ-CD2 4.24Å; F203-V236 HydrophobicContact CE1-CG2 4.07Å; F203-I247 HydrophobicContact CB-CD1 4.08Å; F203-I247 HydrophobicContact CB-CG2 4.17Å; F203-I247 HydrophobicContact CD1-CD1 4.36Å; F203-I247 HydrophobicContact CG-CG2 4.34Å; F203-T254 HydrophobicContact CD2-CG2 4.12Å; F203-T254 HydrophobicContact CE2-CG2 3.7Å; F203-T254 VanDerWaalsContact CE2-OG1 3.26Å; F203-T254 WeakPolarHBondContact CE2-OG1 3.14Å; F203-T254 HydrophobicContact CZ-CG2 4.01Å; F203-F266 HydrophobicContact CE1-CZ 4.45Å; F203-F266 AromaticContact CZ-CE2 3.84Å; F203-F266 HydrophobicContact CZ-CE2 3.84Å; F203-F266 HydrophobicContact CZ-CZ 4.09Å
204A97.8Very high96.6Very high0 Ų04.6 Ų4.60%03%0.03CC..EExtended strand (participates in β ladder)trans-128138.7165.700000109.6L187 L192 Q194 F212 W214L187-A204 HydrophobicContact CD1-CB 3.82Å; L192-A204 HydrophobicContact CD1-CB 4.45Å; L192-A204 HydrophobicContact CD2-CB 4.09Å; Q194-A204 WeakPolarHBondContact O-CA 3.22Å; A204-F212 PolarHBondContact N-O 3.32Å; A204-F212 PolarHBondContact O-N 2.89Å; A204-W214 HydrophobicContact CB-CH2 3.95Å; A204-W214 HydrophobicContact CB-CZ3 3.94Å
205L96.9Very high96.7Very high1 Ų13.4 Ų3.41%0.0052%0.024CC..EExtended strand (participates in β ladder)trans-109.8134.6174.5-179.264.8000108.7L192 A193 Q194 A210 V211 V244 V245 I247L192-L205 WeakPolarHBondContact CA-O 3.32Å; A193-L205 HydrophobicContact CB-CB 4.21Å; A193-L205 HydrophobicContact CB-CD2 4.12Å; A193-L205 HydrophobicContact CB-CG 3.93Å; A193-L205 WeakPolarHBondContact CB-O 3.21Å; A193-L205 PolarHBondContact N-O 2.85Å; Q194-L205 HydrophobicContact CB-CB 4.03Å; Q194-L205 HydrophobicContact CB-CD2 4.26Å; Q194-L205 PolarHBondContact N-O 2.96Å; Q194-L205 PolarHBondContact O-N 2.97Å; L205-A210 CarbonylContact C-O 3.57Å; L205-A210 WeakPolarHBondContact CA-O 3.14Å; L205-V211 HydrophobicContact CD1-CG2 3.81Å; L205-V244 HydrophobicContact CD1-CB 4.13Å; L205-V244 HydrophobicContact CD1-CG1 3.83Å; L205-V245 VanDerWaalsContact CD2-O 3.28Å; L205-V245 WeakPolarHBondContact CD2-O 3.46Å; L205-I247 HydrophobicContact CB-CD1 3.89Å; L205-I247 HydrophobicContact CB-CG1 4.4Å; L205-I247 HydrophobicContact CD1-CD1 4.41Å
206S95.8Very high96.8Very high2 Ų24.4 Ų4.41%0.0143%0.029CC..EExtended strand (participates in β ladder)trans-87159.6170.181.20000111.9P191 S208 G209 A210 E502P191-S206 CarbonylContact O-C 3.32Å; P191-S206 WeakPolarHBondContact O-CA 2.9Å; S206-S208 PolarHBondContact O-N 2.88Å; S206-S208 VanDerWaalsContact O-N 3.13Å; S206-S208 PolarHBondContact OG-N 3.4Å; S206-G209 PolarHBondContact O-N 3.31Å; S206-G209 PolarHBondContact OG-N 3.4Å; S206-A210 PolarHBondContact N-O 3.3Å; S206-A210 WeakPolarHBondContact OG-CB 3.37Å; S206-A210 PolarHBondContact OG-N 3.33Å; S206-E502 VanDerWaalsContact CB-OE1 3.28Å; S206-E502 WeakPolarHBondContact CB-OE1 3.45Å; S206-E502 PolarHBondContact OG-OE1 2.83Å; S206-E502 PolarHBondContact OG-OE2 3.09Å
207L93.9Very high96.8Very high11 Ų114.1 Ų4.16%0.0583%0.026CC..THydrogen-bonded Turntrans-60.5-18.4171.4-70.8-179.5000113.1P191 A193 M393 Y398 L401 L441 H448P191-L207 HydrophobicContact CB-CB 4.4Å; P191-L207 HydrophobicContact CB-CD1 3.92Å; P191-L207 HydrophobicContact CB-CG 4.24Å; P191-L207 PolarHBondContact O-N 2.93Å; A193-L207 HydrophobicContact CB-CD2 3.98Å; A193-L207 HydrophobicContact CB-CG 4.48Å; L207-M393 HydrophobicContact CD2-CE 3.88Å; L207-M393 HydrophobicContact CD2-SD 3.85Å; L207-Y398 HydrophobicContact CD2-CD1 3.93Å; L207-Y398 HydrophobicContact CD2-CD2 4.21Å; L207-Y398 HydrophobicContact CD2-CE1 4.3Å; L207-Y398 HydrophobicContact CD2-CG 3.83Å; L207-L401 HydrophobicContact CD1-CD2 3.76Å; L207-L441 HydrophobicContact CB-CD1 3.65Å; L207-L441 HydrophobicContact CD1-CD1 4.26Å; L207-H448 PolarHBondContact O-CD2 3.43Å
208S93.7Very high96.8Very high4 Ų47.1 Ų7.13%0.0284%0.041CC..THydrogen-bonded Turntrans-95.19.5175.5-41.10000113.4S206 A210 H448 F449 E502 R505S206-S208 PolarHBondContact O-N 2.88Å; S206-S208 VanDerWaalsContact O-N 3.13Å; S206-S208 PolarHBondContact OG-N 3.4Å; S208-A210 VanDerWaalsContact C-N 3.35Å; S208-A210 PolarHBondContact O-N 3.04Å; S208-H448 WeakPolarHBondContact CB-O 3.21Å; S208-F449 WeakPolarHBondContact O-CA 3.2Å; S208-F449 WeakPolarHBondContact O-CD1 3.21Å; S208-E502 VanDerWaalsContact CB-CD 3.5Å; S208-E502 WeakPolarHBondContact CB-OE1 3.43Å; S208-E502 VanDerWaalsContact CB-OE2 3.26Å; S208-E502 WeakPolarHBondContact CB-OE2 3.45Å; S208-E502 VanDerWaalsContact OG-CD 3.25Å; S208-E502 PolarHBondContact OG-OE2 2.94Å; S208-R505 PolarHBondContact OG-NH1 2.95Å; S208-R505 PolarHBondContact OG-NH2 2.96Å
209G93.6Very high96.8Very high1 Ų17.1 Ų7.11%0.014%0.04CC..  trans76.914.9177.800000115.2S206 V244S206-G209 PolarHBondContact O-N 3.31Å; S206-G209 PolarHBondContact OG-N 3.4Å; G209-V244 VanDerWaalsContact CA-O 3.28Å; G209-V244 WeakPolarHBondContact CA-O 3.41Å
210A94.8Very high96.8Very high3 Ų37 Ų73%0.0254%0.039CC..  trans-74.5132169.700000109.8L205 S206 S208 F212 E502L205-A210 CarbonylContact C-O 3.57Å; L205-A210 WeakPolarHBondContact CA-O 3.14Å; S206-A210 PolarHBondContact N-O 3.3Å; S206-A210 WeakPolarHBondContact OG-CB 3.37Å; S206-A210 PolarHBondContact OG-N 3.33Å; S208-A210 VanDerWaalsContact C-N 3.35Å; S208-A210 PolarHBondContact O-N 3.04Å; A210-F212 HydrophobicContact CB-CE2 3.75Å; A210-F212 HydrophobicContact CB-CZ 4.02Å; A210-E502 VanDerWaalsContact CB-OE1 3.3Å; A210-E502 WeakPolarHBondContact CB-OE1 3.14Å
211V96.9Very high96.8Very high1 Ų16.7 Ų6.71%0.0064%0.036CC..EExtended strand (participates in β ladder)trans-110126.3-178.2179.40000109F203 L205 V236 L239 V244 I247F203-V211 HydrophobicContact CD1-CG1 3.61Å; F203-V211 HydrophobicContact CE1-CG1 3.8Å; L205-V211 HydrophobicContact CD1-CG2 3.81Å; V211-V236 HydrophobicContact CB-CB 4.27Å; V211-V236 HydrophobicContact CB-CG2 4.42Å; V211-V236 HydrophobicContact CG1-CB 4.3Å; V211-V236 HydrophobicContact CG1-CG2 3.97Å; V211-V236 PolarHBondContact O-N 3.47Å; V211-L239 HydrophobicContact CB-CD1 4.25Å; V211-L239 HydrophobicContact CG1-CD1 4.28Å; V211-L239 HydrophobicContact CG2-CB 4.36Å; V211-L239 HydrophobicContact CG2-CD1 4.09Å; V211-V244 HydrophobicContact CG2-CB 3.94Å; V211-V244 HydrophobicContact CG2-CG1 3.84Å; V211-V244 HydrophobicContact CG2-CG2 4.1Å; V211-I247 HydrophobicContact CG1-CD1 3.78Å; V211-I247 HydrophobicContact CG2-CD1 4.24Å
212F97.5Very high96.8Very high8 Ų86.7 Ų6.74%0.0354%0.036CC..EExtended strand (participates in β ladder)trans-116.8123.7176.9-56.9-91.5000109.2L187 I190 F203 A204 A210 W214 P233 C234 H235 D500L187-F212 HydrophobicContact CD2-CB 4.14Å; L187-F212 HydrophobicContact CD2-CD1 3.99Å; L187-F212 HydrophobicContact CD2-CD2 4.08Å; L187-F212 HydrophobicContact CD2-CE1 4.44Å; L187-F212 HydrophobicContact CD2-CG 3.8Å; I190-F212 HydrophobicContact CD1-CE1 4.27Å; I190-F212 HydrophobicContact CD1-CE2 4.13Å; I190-F212 HydrophobicContact CD1-CZ 3.75Å; I190-F212 HydrophobicContact CG2-CE2 4.34Å; F203-F212 CarbonylContact C-O 3.15Å; F203-F212 VanDerWaalsContact CA-O 3.23Å; F203-F212 WeakPolarHBondContact CA-O 3.5Å; F203-F212 VanDerWaalsContact CD1-O 3.3Å; F203-F212 WeakPolarHBondContact CD1-O 3.34Å; A204-F212 PolarHBondContact N-O 3.32Å; A204-F212 PolarHBondContact O-N 2.89Å; A210-F212 HydrophobicContact CB-CE2 3.75Å; A210-F212 HydrophobicContact CB-CZ 4.02Å; F212-W214 HydrophobicContact CB-CZ3 4.31Å; F212-W214 WeakPolarHBondContact O-CZ3 3.45Å; F212-P233 HydrophobicContact CB-CB 4.26Å; F212-C234 CarbonylContact C-O 3.28Å; F212-C234 WeakPolarHBondContact CA-O 3.1Å; F212-H235 HydrophobicContact CD1-CB 4.01Å; F212-H235 HydrophobicContact CE1-CB 3.93Å; F212-H235 AromaticContact CE1-CD2 3.82Å; F212-H235 AromaticContact CZ-CD2 3.96Å; F212-D500 HydrophobicContact CE1-CB 4.34Å; F212-D500 HydrophobicContact CZ-CB 4.11Å
213G97.8Very high96.7Very high0 Ų06.7 Ų6.70%04%0.037CC..EExtended strand (participates in β ladder)trans-121.2144.1179.400000112.1S202 F203 C234S202-G213 WeakPolarHBondContact O-CA 3.48Å; F203-G213 VanDerWaalsContact CE1-CA 3.46Å; G213-C234 PolarHBondContact N-O 2.83Å; G213-C234 PolarHBondContact O-N 3.21Å
214W98.1Very high96.6Very high0 Ų07.9 Ų7.90%04%0.043CC..EExtended strand (participates in β ladder)trans-156.7168.3174.865.493.7000112.6F158 Q168 G170 L187 H201 S202 A204 F212 R230 S232 P233F158-W214 AromaticContact CE1-CH2 3.62Å; F158-W214 HydrophobicContact CE1-CH2 3.62Å; F158-W214 AromaticContact CE1-CZ2 3.55Å; F158-W214 HydrophobicContact CE1-CZ2 3.55Å; F158-W214 AromaticContact CZ-CH2 3.98Å; F158-W214 HydrophobicContact CZ-CH2 3.98Å; F158-W214 AromaticContact CZ-CZ2 3.9Å; F158-W214 HydrophobicContact CZ-CZ2 3.9Å; Q168-W214 PolarHBondContact O-NE1 2.57Å; G170-W214 VanDerWaalsContact N-CD1 3.35Å; L187-W214 HydrophobicContact CD1-CH2 4.1Å; L187-W214 HydrophobicContact CD1-CZ3 4.15Å; H201-W214 CarbonylContact C-O 3.57Å; H201-W214 WeakPolarHBondContact CA-O 3.48Å; H201-W214 WeakPolarHBondContact CB-O 3.29Å; S202-W214 PolarHBondContact N-O 2.81Å; S202-W214 PolarHBondContact O-N 3.06Å; A204-W214 HydrophobicContact CB-CH2 3.95Å; A204-W214 HydrophobicContact CB-CZ3 3.94Å; F212-W214 HydrophobicContact CB-CZ3 4.31Å; F212-W214 WeakPolarHBondContact O-CZ3 3.45Å; W214-R230 HydrophobicContact CB-CB 4.19Å; W214-S232 WeakPolarHBondContact CB-O 2.91Å; W214-P233 HydrophobicContact CD2-CB 4.18Å; W214-P233 HydrophobicContact CD2-CG 3.82Å; W214-P233 HydrophobicContact CE3-CB 3.62Å; W214-P233 HydrophobicContact CE3-CG 3.68Å; W214-P233 HydrophobicContact CG-CG 4.38Å; W214-P233 HydrophobicContact CH2-CG 4.46Å; W214-P233 HydrophobicContact CZ3-CB 4.02Å; W214-P233 HydrophobicContact CZ3-CG 4.01Å
215G97.9Very high96.6Very high0 Ų011.3 Ų11.30%07%0.067CC..EExtended strand (participates in β ladder)trans103.5-148.4-173.700000112.7H166 D229 R230H166-G215 CarbonylContact O-C 3.27Å; H166-G215 VanDerWaalsContact O-C 3.26Å; H166-G215 VanDerWaalsContact O-CA 3.28Å; H166-G215 WeakPolarHBondContact O-CA 3.06Å; G215-D229 CarbonylContact O-C 3.47Å; G215-D229 VanDerWaalsContact O-CA 3.27Å; G215-D229 WeakPolarHBondContact O-CA 3.25Å; G215-R230 WeakPolarHBondContact CA-O 3.37Å; G215-R230 PolarHBondContact N-O 2.69Å; G215-R230 PolarHBondContact O-N 2.71Å
216M97.9Very high96.6Very high29 Ų2913.5 Ų13.514%0.1438%0.079CC..  trans-63.3137.2-179.9-170.4168.217100111.8H166 A200 N218 Q221 D229H166-M216 HydrophobicContact CB-CB 3.86Å; A200-M216 HydrophobicContact CB-CB 3.88Å; A200-M216 HydrophobicContact CB-SD 3.79Å; A200-M216 WeakPolarHBondContact O-CB 3.2Å; A200-M216 PolarHBondContact O-N 2.88Å; M216-N218 HydrophobicContact CE-CB 4.33Å; M216-N218 WeakPolarHBondContact CE-ND2 3.4Å; M216-N218 VanDerWaalsContact CE-OD1 3.26Å; M216-N218 WeakPolarHBondContact CE-OD1 3.09Å; M216-Q221 VanDerWaalsContact O-CD 3.26Å; M216-Q221 WeakPolarHBondContact O-CG 3.45Å; M216-Q221 PolarHBondContact O-NE2 2.73Å; M216-D229 WeakPolarHBondContact CA-OD1 3.3Å
217N97.8Very high96.6Very high0 Ų019.1 Ų19.10%011%0.105CC..  trans-141.117.1-177.1-162.933.6000114.1A219 G220 Q221 L222 D226 E227 K228 D229N217-A219 PolarHBondContact O-N 2.88Å; N217-A219 VanDerWaalsContact O-N 3.09Å; N217-G220 PolarHBondContact O-N 2.82Å; N217-G220 VanDerWaalsContact OD1-CA 3.23Å; N217-G220 WeakPolarHBondContact OD1-CA 3.43Å; N217-Q221 PolarHBondContact O-OE1 3.3Å; N217-Q221 PolarHBondContact OD1-N 3.39Å; N217-L222 HydrophobicContact CB-CB 4.39Å; N217-L222 HydrophobicContact CB-CD1 3.68Å; N217-L222 HydrophobicContact CB-CG 3.75Å; N217-L222 VanDerWaalsContact OD1-CB 3.29Å; N217-L222 WeakPolarHBondContact OD1-CB 3.27Å; N217-L222 WeakPolarHBondContact OD1-CG 3.34Å; N217-L222 PolarHBondContact OD1-N 2.89Å; N217-D226 PolarHBondContact ND2-O 3.14Å; N217-D226 PolarHBondContact ND2-OD1 2.91Å; N217-E227 CarbonylContact C-O 3.53Å; N217-E227 CarbonylContact O-C 3.58Å; N217-E227 WeakPolarHBondContact O-CA 3.49Å; N217-K228 VanDerWaalsContact CB-O 3.27Å; N217-K228 WeakPolarHBondContact CB-O 3.24Å; N217-K228 PolarHBondContact ND2-N 2.75Å; N217-K228 PolarHBondContact ND2-O 2.92Å; N217-K228 VanDerWaalsContact ND2-O 3.15Å; N217-D229 PolarHBondContact N-OD1 2.79Å
218N97.3Very high96.8Very high75 Ų7525.7 Ų25.740%0.40113%0.133SC..THydrogen-bonded Turntrans-56.3-25.1-177.266.2-32.2000115.4M216 Q221M216-N218 HydrophobicContact CE-CB 4.33Å; M216-N218 WeakPolarHBondContact CE-ND2 3.4Å; M216-N218 VanDerWaalsContact CE-OD1 3.26Å; M216-N218 WeakPolarHBondContact CE-OD1 3.09Å; N218-Q221 PolarHBondContact OD1-NE2 2.76Å; N218-Q221 PolarHBondContact OD1-OE1 2.86Å
219A96.6Very high97Very high4 Ų428.8 Ų28.83%0.03315%0.149CC..THydrogen-bonded Turntrans-109.79.6177.600000112.2N217 G267 A268N217-A219 PolarHBondContact O-N 2.88Å; N217-A219 VanDerWaalsContact O-N 3.09Å; A219-G267 CarbonylContact O-C 3.6Å; A219-G267 WeakPolarHBondContact O-CA 3.3Å; A219-A268 HydrophobicContact CB-CB 3.91Å
220G96.9Very high97.1Very high0 Ų031.9 Ų31.90%016%0.16CC..SBendtrans78.617.1-176.700000115N217 L222 G223N217-G220 PolarHBondContact O-N 2.82Å; N217-G220 VanDerWaalsContact OD1-CA 3.23Å; N217-G220 WeakPolarHBondContact OD1-CA 3.43Å; G220-L222 PolarHBondContact O-N 3.1Å; G220-G223 PolarHBondContact O-N 3.14Å
221Q97.3Very high97.2Very high1 Ų135.5 Ų35.51%0.00518%0.177CC..THydrogen-bonded Turntrans-64.4-9.8-175.162.9-93.554.900114.9M216 N217 N218 E252 T254 F266 G267M216-Q221 VanDerWaalsContact O-CD 3.26Å; M216-Q221 WeakPolarHBondContact O-CG 3.45Å; M216-Q221 PolarHBondContact O-NE2 2.73Å; N217-Q221 PolarHBondContact O-OE1 3.3Å; N217-Q221 PolarHBondContact OD1-N 3.39Å; N218-Q221 PolarHBondContact OD1-NE2 2.76Å; N218-Q221 PolarHBondContact OD1-OE1 2.86Å; Q221-E252 VanDerWaalsContact CB-O 3.32Å; Q221-E252 WeakPolarHBondContact CB-O 3.26Å; Q221-T254 PolarHBondContact O-OG1 3.05Å; Q221-F266 WeakPolarHBondContact O-CD2 3.36Å; Q221-F266 WeakPolarHBondContact O-CE2 3.44Å; Q221-G267 VanDerWaalsContact CA-CA 3.47Å
222L97.8Very high97.1Very high0 Ų037.7 Ų37.70%019%0.192CC..THydrogen-bonded Turntrans-87.9-16.4171.1-56.6-173.3000113.6H201 F203 N217 G220 L224 R230 V236 F266H201-L222 HydrophobicContact CB-CD2 3.86Å; F203-L222 HydrophobicContact CE2-CD2 4.25Å; F203-L222 HydrophobicContact CZ-CD2 4.24Å; N217-L222 HydrophobicContact CB-CB 4.39Å; N217-L222 HydrophobicContact CB-CD1 3.68Å; N217-L222 HydrophobicContact CB-CG 3.75Å; N217-L222 VanDerWaalsContact OD1-CB 3.29Å; N217-L222 WeakPolarHBondContact OD1-CB 3.27Å; N217-L222 WeakPolarHBondContact OD1-CG 3.34Å; N217-L222 PolarHBondContact OD1-N 2.89Å; G220-L222 PolarHBondContact O-N 3.1Å; L222-L224 VanDerWaalsContact C-N 3.3Å; L222-L224 HydrophobicContact CB-CD1 3.79Å; L222-L224 HydrophobicContact CB-CG 3.8Å; L222-L224 HydrophobicContact CD1-CD1 3.91Å; L222-L224 PolarHBondContact O-N 2.64Å; L222-R230 HydrophobicContact CD1-CB 3.96Å; L222-R230 HydrophobicContact CD1-CG 3.61Å; L222-V236 WeakPolarHBondContact O-CG2 3.27Å; L222-F266 VanDerWaalsContact C-CE2 3.48Å
223G96.9Very high97Very high1 Ų138.3 Ų38.31%0.0120%0.197CC..  trans69.625.717900000113.9G220 F266 V283 P285G220-G223 PolarHBondContact O-N 3.14Å; G223-F266 VanDerWaalsContact CA-CD2 3.47Å; G223-F266 VanDerWaalsContact N-CD2 3.34Å; G223-V283 CarbonylContact C-O 3.53Å; G223-V283 VanDerWaalsContact C-O 3.28Å; G223-V283 VanDerWaalsContact CA-O 3.31Å; G223-V283 WeakPolarHBondContact CA-O 3.45Å; G223-P285 WeakPolarHBondContact O-CD 3.28Å
224L96.5Very high96.9Very high25 Ų2539.8 Ų39.813%0.13121%0.207CC..SBendtrans-93.914.6-172.5-63.5175.8000113.9L222 D226 R230 C234 V236L222-L224 VanDerWaalsContact C-N 3.3Å; L222-L224 HydrophobicContact CB-CD1 3.79Å; L222-L224 HydrophobicContact CB-CG 3.8Å; L222-L224 HydrophobicContact CD1-CD1 3.91Å; L222-L224 PolarHBondContact O-N 2.64Å; L224-D226 PolarHBondContact O-N 2.98Å; L224-R230 HydrophobicContact CD1-CG 3.58Å; L224-C234 HydrophobicContact CD1-CB 3.75Å; L224-C234 HydrophobicContact CD2-CB 4.17Å; L224-V236 HydrophobicContact CD2-CG2 4.01Å
225S96.3Very high96.8Very high72 Ų7241.5 Ų41.550%0.50322%0.215SC..SBendtrans63.621.5-177.2-46.50000114.4V283 N284S225-V283 PolarHBondContact N-O 2.95Å; S225-V283 VanDerWaalsContact N-O 3.11Å; S225-N284 VanDerWaalsContact CA-OD1 3.29Å; S225-N284 WeakPolarHBondContact CA-OD1 3.32Å; S225-N284 VanDerWaalsContact CB-OD1 3.24Å; S225-N284 WeakPolarHBondContact CB-OD1 3.16Å; S225-N284 PolarHBondContact OG-OD1 3.31Å
226D96.7Very high96.6Very high47 Ų4741.6 Ų41.625%0.25122%0.215SC..SBendtrans-154.6176.9172.362.748.5000110.5N217 L224 K228 R230N217-D226 PolarHBondContact ND2-O 3.14Å; N217-D226 PolarHBondContact ND2-OD1 2.91Å; L224-D226 PolarHBondContact O-N 2.98Å; D226-K228 PolarHBondContact OD1-N 3.24Å; D226-K228 VanDerWaalsContact OD1-N 3.1Å; D226-R230 IonicContact OD1-NE 2.67Å; D226-R230 IonicContact OD1-NH2 3.69Å; D226-R230 PolarHBondContact OD1-NH2 3.31Å; D226-R230 IonicContact OD2-CZ 2.57Å; D226-R230 IonicContact OD2-NH2 3.84Å; D226-R230 PolarHBondContact OD2-NH2 3.03Å
227E97.2Very high96.4Very high120 Ų12048.5 Ų48.556%0.56125%0.245SC*.  trans-110.323.2-179.2-65166.9-179.900112.4N217 V283N217-E227 CarbonylContact C-O 3.53Å; N217-E227 CarbonylContact O-C 3.58Å; N217-E227 WeakPolarHBondContact O-CA 3.49Å; E227-V283 HydrophobicContact CG-CG1 3.8Å
228K97.4Very high96.2Very high148 Ų14852.7 Ų52.764%0.64327%0.267SS*.  trans-96.6126.4-174.5-67.1-179.5-178.9175.30111.6N217 D226 R230N217-K228 VanDerWaalsContact CB-O 3.27Å; N217-K228 WeakPolarHBondContact CB-O 3.24Å; N217-K228 PolarHBondContact ND2-N 2.75Å; N217-K228 PolarHBondContact ND2-O 2.92Å; N217-K228 VanDerWaalsContact ND2-O 3.15Å; D226-K228 PolarHBondContact OD1-N 3.24Å; D226-K228 VanDerWaalsContact OD1-N 3.1Å; K228-R230 PolarHBondContact O-NE 3.08Å
229D97.1Very high96Very high69 Ų6949.2 Ų49.237%0.36925%0.248SC..  trans-53.6146.3172.9-69.45.2000111.3H166 G215 M216 N217H166-D229 IonicContact CD2-OD2 2.66Å; H166-D229 PolarHBondContact CD2-OD2 2.95Å; H166-D229 IonicContact CG-OD2 3.9Å; G215-D229 CarbonylContact O-C 3.47Å; G215-D229 VanDerWaalsContact O-CA 3.27Å; G215-D229 WeakPolarHBondContact O-CA 3.25Å; M216-D229 WeakPolarHBondContact CA-OD1 3.3Å; N217-D229 PolarHBondContact N-OD1 2.79Å
230R97Very high95.5Very high67 Ų6751.5 Ų51.525%0.25326%0.256SS..EExtended strand (participates in β ladder)trans-123.9121.6-179.2-57-58.2178.8119.3-0.1110.4W214 G215 L222 L224 D226 K228 S232 C234W214-R230 HydrophobicContact CB-CB 4.19Å; G215-R230 WeakPolarHBondContact CA-O 3.37Å; G215-R230 PolarHBondContact N-O 2.69Å; G215-R230 PolarHBondContact O-N 2.71Å; L222-R230 HydrophobicContact CD1-CB 3.96Å; L222-R230 HydrophobicContact CD1-CG 3.61Å; L224-R230 HydrophobicContact CD1-CG 3.58Å; D226-R230 IonicContact OD1-NE 2.67Å; D226-R230 IonicContact OD1-NH2 3.69Å; D226-R230 PolarHBondContact OD1-NH2 3.31Å; D226-R230 IonicContact OD2-CZ 2.57Å; D226-R230 IonicContact OD2-NH2 3.84Å; D226-R230 PolarHBondContact OD2-NH2 3.03Å; K228-R230 PolarHBondContact O-NE 3.08Å; R230-S232 VanDerWaalsContact C-N 3.28Å; R230-S232 PolarHBondContact O-N 3.21Å; R230-C234 HydrophobicContact CG-CB 4.45Å
231E95.6Very high94.8Very high78 Ų7857 Ų5736%0.36429%0.289SS..EExtended strand (participates in β ladder)trans-86.6-2.1179.9-59158.3170.500113.1G170 L171 G172 K173G170-E231 CarbonylContact C-O 3.26Å; G170-E231 VanDerWaalsContact C-O 3.27Å; G170-E231 WeakPolarHBondContact CA-O 3.43Å; L171-E231 PolarHBondContact N-O 3.09Å; G172-E231 WeakPolarHBondContact CA-O 3.12Å; G172-E231 PolarHBondContact N-O 3.45Å; K173-E231 WeakPolarHBondContact CA-OE2 3.35Å; K173-E231 WeakPolarHBondContact CB-OE2 3.14Å; K173-E231 WeakPolarHBondContact CD-OE2 3.44Å; K173-E231 WeakPolarHBondContact CG-OE2 3.44Å; K173-E231 PolarHBondContact N-OE2 2.96Å
232S95.4Very high94.6Very high48 Ų4860.2 Ų60.234%0.33630%0.304SS..EExtended strand (participates in β ladder)trans-143.7148.8178.1-62.60000110.6W214 R230 C234W214-S232 WeakPolarHBondContact CB-O 2.91Å; R230-S232 VanDerWaalsContact C-N 3.28Å; R230-S232 PolarHBondContact O-N 3.21Å; S232-C234 PolarHBondContact O-N 3.32Å; S232-C234 PolarHBondContact O-SG 3.2Å
233P96.7Very high94.4Very high21 Ų2163.6 Ų63.614%0.13632%0.319CS..EExtended strand (participates in β ladder)trans-47.7122177-28.534.8000112.8G170 V184 S186 L187 F212 W214G170-P233 WeakPolarHBondContact O-CD 3.26Å; V184-P233 HydrophobicContact CG1-CG 4.01Å; S186-P233 VanDerWaalsContact OG-CD 3.22Å; S186-P233 WeakPolarHBondContact OG-CD 3.49Å; S186-P233 WeakPolarHBondContact OG-CG 3.28Å; L187-P233 HydrophobicContact CD1-CB 4.2Å; L187-P233 HydrophobicContact CD1-CG 3.96Å; L187-P233 HydrophobicContact CD2-CB 3.79Å; L187-P233 HydrophobicContact CD2-CG 4.29Å; L187-P233 HydrophobicContact CG-CB 3.98Å; L187-P233 HydrophobicContact CG-CG 3.9Å; F212-P233 HydrophobicContact CB-CB 4.26Å; W214-P233 HydrophobicContact CD2-CB 4.18Å; W214-P233 HydrophobicContact CD2-CG 3.82Å; W214-P233 HydrophobicContact CE3-CB 3.62Å; W214-P233 HydrophobicContact CE3-CG 3.68Å; W214-P233 HydrophobicContact CG-CG 4.38Å; W214-P233 HydrophobicContact CH2-CG 4.46Å; W214-P233 HydrophobicContact CZ3-CB 4.02Å; W214-P233 HydrophobicContact CZ3-CG 4.01Å
234C95.6Very high94.3Very high31 Ų3163.6 Ų63.621%0.20932%0.319CS..EExtended strand (participates in β ladder)trans-118.8132.6179.4-72.30000110.3F212 G213 L224 R230 S232 V236F212-C234 CarbonylContact C-O 3.28Å; F212-C234 WeakPolarHBondContact CA-O 3.1Å; G213-C234 PolarHBondContact N-O 2.83Å; G213-C234 PolarHBondContact O-N 3.21Å; L224-C234 HydrophobicContact CD1-CB 3.75Å; L224-C234 HydrophobicContact CD2-CB 4.17Å; R230-C234 HydrophobicContact CG-CB 4.45Å; S232-C234 PolarHBondContact O-N 3.32Å; S232-C234 PolarHBondContact O-SG 3.2Å; C234-V236 PolarHBondContact O-N 3.44Å
235H94.1Very high94.3Very high36 Ų3662.8 Ų62.817%0.16732%0.315CS..EExtended strand (participates in β ladder)trans-73.4124.4-178.2-179.4-88.6000112.3F212 K237 R240F212-H235 HydrophobicContact CD1-CB 4.01Å; F212-H235 HydrophobicContact CE1-CB 3.93Å; F212-H235 AromaticContact CE1-CD2 3.82Å; F212-H235 AromaticContact CZ-CD2 3.96Å; H235-K237 PolarHBondContact O-N 2.94Å; H235-R240 PolarHBondContact CE1-NH1 3.15Å; H235-R240 PolarHBondContact NE2-NH1 3.22Å
236V95.7Very high94.3Very high1 Ų162 Ų621%0.00630%0.302CS..  trans-79.785.7177.2-172.10000109.8F203 V211 L222 L224 C234 L238 L239 P285F203-V236 HydrophobicContact CE1-CG2 4.07Å; V211-V236 HydrophobicContact CB-CB 4.27Å; V211-V236 HydrophobicContact CB-CG2 4.42Å; V211-V236 HydrophobicContact CG1-CB 4.3Å; V211-V236 HydrophobicContact CG1-CG2 3.97Å; V211-V236 PolarHBondContact O-N 3.47Å; L222-V236 WeakPolarHBondContact O-CG2 3.27Å; L224-V236 HydrophobicContact CD2-CG2 4.01Å; C234-V236 PolarHBondContact O-N 3.44Å; V236-L238 VanDerWaalsContact C-N 3.26Å; V236-L238 PolarHBondContact O-N 2.89Å; V236-L238 VanDerWaalsContact O-N 3.16Å; V236-L239 HydrophobicContact CB-CD1 4.35Å; V236-L239 HydrophobicContact CG1-CB 4.4Å; V236-L239 HydrophobicContact CG1-CD1 3.82Å; V236-L239 HydrophobicContact CG1-CG 3.99Å; V236-L239 PolarHBondContact O-N 3.13Å; V236-L239 VanDerWaalsContact O-N 3.13Å; V236-P285 HydrophobicContact CG1-CG 3.88Å
237K92.1Very high94.4Very high174 Ų17460 Ų6076%0.75729%0.291SS*.G310 helixtrans-56.6-35.3-170.3-66178.2-177.5174.40114.2H235 L239 R240H235-K237 PolarHBondContact O-N 2.94Å; K237-L239 PolarHBondContact O-N 3.5Å; K237-R240 WeakPolarHBondContact O-CB 3.24Å; K237-R240 PolarHBondContact O-N 3.44Å
238L94.1Very high94.4Very high89 Ų8955 Ų5547%0.46627%0.269SS..G310 helixtrans-66-21.4-177.4-66.2174.9000113.6V236 N284 P285V236-L238 VanDerWaalsContact C-N 3.26Å; V236-L238 PolarHBondContact O-N 2.89Å; V236-L238 VanDerWaalsContact O-N 3.16Å; L238-N284 HydrophobicContact CD1-CB 3.95Å; L238-N284 WeakPolarHBondContact CD1-OD1 3.28Å; L238-P285 HydrophobicContact CB-CG 4.48Å
239L94.1Very high94.4Very high2 Ų248.8 Ų48.81%0.0124%0.244CC..G310 helixtrans-92.1-9.6179.8-69.1176.2000114V211 V236 K237 T241 Q242 V244 V256 F264 F266 P285V211-L239 HydrophobicContact CB-CD1 4.25Å; V211-L239 HydrophobicContact CG1-CD1 4.28Å; V211-L239 HydrophobicContact CG2-CB 4.36Å; V211-L239 HydrophobicContact CG2-CD1 4.09Å; V236-L239 HydrophobicContact CB-CD1 4.35Å; V236-L239 HydrophobicContact CG1-CB 4.4Å; V236-L239 HydrophobicContact CG1-CD1 3.82Å; V236-L239 HydrophobicContact CG1-CG 3.99Å; V236-L239 PolarHBondContact O-N 3.13Å; V236-L239 VanDerWaalsContact O-N 3.13Å; K237-L239 PolarHBondContact O-N 3.5Å; L239-T241 VanDerWaalsContact C-N 3.26Å; L239-T241 PolarHBondContact O-N 3.03Å; L239-T241 VanDerWaalsContact O-N 3.13Å; L239-Q242 HydrophobicContact CD2-CG 4.27Å; L239-Q242 WeakPolarHBondContact O-CB 3.36Å; L239-Q242 PolarHBondContact O-N 3.11Å; L239-V244 HydrophobicContact CB-CG2 4.01Å; L239-V244 HydrophobicContact CD1-CG2 4.46Å; L239-V244 HydrophobicContact CD2-CG2 4.23Å; L239-V244 HydrophobicContact CG-CG2 4.46Å; L239-V256 HydrophobicContact CD1-CG1 4.2Å; L239-V256 HydrophobicContact CD1-CG2 3.95Å; L239-V256 HydrophobicContact CD2-CG2 3.9Å; L239-F264 HydrophobicContact CD2-CB 4.42Å; L239-F264 HydrophobicContact CD2-CD1 4.47Å; L239-F264 HydrophobicContact CD2-CG 4.33Å; L239-F266 HydrophobicContact CD1-CE1 4.21Å; L239-F266 HydrophobicContact CD1-CZ 4.43Å; L239-P285 HydrophobicContact CD1-CB 4.34Å; L239-P285 HydrophobicContact CD1-CG 4.09Å; L239-P285 HydrophobicContact CD2-CB 3.69Å; L239-P285 HydrophobicContact CD2-CG 4.19Å; L239-P285 HydrophobicContact CG-CB 3.98Å; L239-P285 HydrophobicContact CG-CG 3.89Å
240R84.3Confident94.4Very high51 Ų5145.7 Ų45.719%0.19223%0.229CC..THydrogen-bonded Turntrans-56.7-37.2-170.9-164.6175.8-174.1103.9-3.9113.6H235 K237 T451 D500H235-R240 PolarHBondContact CE1-NH1 3.15Å; H235-R240 PolarHBondContact NE2-NH1 3.22Å; K237-R240 WeakPolarHBondContact O-CB 3.24Å; K237-R240 PolarHBondContact O-N 3.44Å; R240-T451 VanDerWaalsContact CZ-O 3.28Å; R240-T451 PolarHBondContact NE-O 3.12Å; R240-T451 PolarHBondContact NH2-O 3.43Å; R240-D500 IonicContact NH1-OD2 2.82Å
241T82.9Confident94.3Very high115 Ų11544.9 Ų44.971%0.70623%0.228SC*.THydrogen-bonded Turntrans-92.81.4-177.858.50000113.3L239L239-T241 VanDerWaalsContact C-N 3.26Å; L239-T241 PolarHBondContact O-N 3.03Å; L239-T241 VanDerWaalsContact O-N 3.13Å
242Q92.3Very high94.3Very high69 Ų6944.3 Ų44.332%0.32223%0.225SC..SBendtrans-91-3.9-171.7-55.8-55.4-37.100113.4L239 V244 T258 F264L239-Q242 HydrophobicContact CD2-CG 4.27Å; L239-Q242 WeakPolarHBondContact O-CB 3.36Å; L239-Q242 PolarHBondContact O-N 3.11Å; Q242-V244 HydrophobicContact CB-CG2 4.31Å; Q242-T258 HydrophobicContact CB-CG2 4.01Å; Q242-T258 VanDerWaalsContact O-CB 3.24Å; Q242-T258 WeakPolarHBondContact O-CB 3.42Å; Q242-T258 WeakPolarHBondContact O-CG2 3.27Å; Q242-F264 HydrophobicContact CB-CE2 4.44Å; Q242-F264 HydrophobicContact CG-CE1 4.48Å; Q242-F264 HydrophobicContact CG-CE2 4.46Å; Q242-F264 HydrophobicContact CG-CZ 4.07Å
243K94.4Very high94.5Very high71 Ų7142 Ų4231%0.30921%0.209SC..  trans54.154.7-176.6-52.7-174.8174.7-174.30112T258 K259 D446 F449K243-T258 CarbonylContact O-C 3.48Å; K243-T258 WeakPolarHBondContact O-CA 3.29Å; K243-K259 HydrophobicContact CB-CB 4.26Å; K243-K259 PolarHBondContact O-N 2.9Å; K243-D446 IonicContact NZ-OD2 3.63Å; K243-F449 HydrophobicContact CB-CD1 3.81Å; K243-F449 HydrophobicContact CB-CD2 4.4Å; K243-F449 HydrophobicContact CB-CE1 4Å; K243-F449 HydrophobicContact CB-CG 4.01Å; K243-F449 HydrophobicContact CB-CZ 4.35Å; K243-F449 HydrophobicContact CD-CB 4.48Å; K243-F449 HydrophobicContact CD-CD2 4.28Å; K243-F449 HydrophobicContact CD-CG 4.35Å; K243-F449 HydrophobicContact CG-CB 3.86Å; K243-F449 HydrophobicContact CG-CD1 4.07Å; K243-F449 HydrophobicContact CG-CD2 4.21Å; K243-F449 HydrophobicContact CG-CG 3.8Å
244V96Very high94.6Very high1 Ų141 Ų411%0.00620%0.203CC..EExtended strand (participates in β ladder)trans-66136.9177.9-178.90000109.7L205 G209 V211 L239 Q242 I247 V256L205-V244 HydrophobicContact CD1-CB 4.13Å; L205-V244 HydrophobicContact CD1-CG1 3.83Å; G209-V244 VanDerWaalsContact CA-O 3.28Å; G209-V244 WeakPolarHBondContact CA-O 3.41Å; V211-V244 HydrophobicContact CG2-CB 3.94Å; V211-V244 HydrophobicContact CG2-CG1 3.84Å; V211-V244 HydrophobicContact CG2-CG2 4.1Å; L239-V244 HydrophobicContact CB-CG2 4.01Å; L239-V244 HydrophobicContact CD1-CG2 4.46Å; L239-V244 HydrophobicContact CD2-CG2 4.23Å; L239-V244 HydrophobicContact CG-CG2 4.46Å; Q242-V244 HydrophobicContact CB-CG2 4.31Å; V244-I247 HydrophobicContact CG1-CG1 4.42Å; V244-V256 HydrophobicContact CG1-CB 4Å; V244-V256 HydrophobicContact CG2-CG2 4.44Å
245V95.6Very high94.7Very high9 Ų939.5 Ų39.56%0.05519%0.193CC..EExtended strand (participates in β ladder)trans-130-16-176.9-680000113.3L205 L257 K259 R391 F449L205-V245 VanDerWaalsContact CD2-O 3.28Å; L205-V245 WeakPolarHBondContact CD2-O 3.46Å; V245-L257 WeakPolarHBondContact CG2-O 3.43Å; V245-L257 PolarHBondContact N-O 2.96Å; V245-K259 HydrophobicContact CG1-CB 3.84Å; V245-K259 HydrophobicContact CG1-CG 4.37Å; V245-R391 HydrophobicContact CG2-CB 4.18Å; V245-R391 HydrophobicContact CG2-CG 4.35Å; V245-F449 HydrophobicContact CG1-CE1 4.34Å; V245-F449 HydrophobicContact CG1-CZ 3.98Å
246Y96.9Very high94.9Very high56 Ų5637.8 Ų37.822%0.2219%0.185CC..EExtended strand (participates in β ladder)trans-151.4144.9178-172.1-94000111.9Q194 V256 L257 I299 F390Q194-Y246 VanDerWaalsContact NE2-CE2 3.3Å; Y246-V256 WeakPolarHBondContact O-CA 3.23Å; Y246-L257 PolarHBondContact N-O 2.92Å; Y246-L257 PolarHBondContact O-N 3.26Å; Y246-I299 HydrophobicContact CD1-CD1 4.12Å; Y246-I299 HydrophobicContact CD1-CG1 3.69Å; Y246-I299 HydrophobicContact CE1-CG1 3.98Å; Y246-F390 HydrophobicContact CD1-CB 4.39Å; Y246-F390 AromaticContact CD1-CD2 3.98Å; Y246-F390 HydrophobicContact CD1-CD2 3.98Å; Y246-F390 HydrophobicContact CD2-CB 3.9Å; Y246-F390 HydrophobicContact CD2-CD2 4.24Å; Y246-F390 HydrophobicContact CD2-CG 4.2Å; Y246-F390 AromaticContact CE1-CD2 3.65Å; Y246-F390 HydrophobicContact CE1-CD2 3.65Å; Y246-F390 HydrophobicContact CE1-CE2 4.08Å; Y246-F390 HydrophobicContact CE2-CB 4.34Å; Y246-F390 AromaticContact CE2-CD2 3.94Å; Y246-F390 HydrophobicContact CE2-CD2 3.94Å; Y246-F390 HydrophobicContact CE2-CE2 4.43Å; Y246-F390 HydrophobicContact CE2-CG 4.12Å; Y246-F390 HydrophobicContact CG-CB 3.93Å; Y246-F390 HydrophobicContact CG-CD2 4.25Å; Y246-F390 HydrophobicContact CG-CG 4.43Å; Y246-F390 AromaticContact CZ-CD2 3.64Å; Y246-F390 AromaticContact CZ-CE2 3.87Å
247I97.9Very high95Very high3 Ų337.8 Ų37.82%0.01518%0.184CC..EExtended strand (participates in β ladder)trans-125.3137.3178.7-54.6-179.1000109Q194 A196 F203 L205 V211 V244 T254 V256Q194-I247 PolarHBondContact NE2-O 3.29Å; A196-I247 HydrophobicContact CB-CB 4.26Å; A196-I247 HydrophobicContact CB-CG2 4.02Å; F203-I247 HydrophobicContact CB-CD1 4.08Å; F203-I247 HydrophobicContact CB-CG2 4.17Å; F203-I247 HydrophobicContact CD1-CD1 4.36Å; F203-I247 HydrophobicContact CG-CG2 4.34Å; L205-I247 HydrophobicContact CB-CD1 3.89Å; L205-I247 HydrophobicContact CB-CG1 4.4Å; L205-I247 HydrophobicContact CD1-CD1 4.41Å; V211-I247 HydrophobicContact CG1-CD1 3.78Å; V211-I247 HydrophobicContact CG2-CD1 4.24Å; V244-I247 HydrophobicContact CG1-CG1 4.42Å; I247-T254 HydrophobicContact CG2-CG2 4Å; I247-V256 HydrophobicContact CG1-CG1 4.06Å; I247-V256 HydrophobicContact CG2-CG1 4.27Å
248S97.6Very high95.1Very high16 Ų1629.6 Ų29.611%0.11215%0.149CC..EExtended strand (participates in β ladder)trans-132.2127.7169.2-166.70000109.9A255 C301S248-A255 PolarHBondContact N-O 3.16Å; S248-A255 PolarHBondContact O-N 3.13Å; S248-A255 VanDerWaalsContact O-O 3.1Å; S248-C301 PolarHBondContact O-SG 3.31Å; S248-C301 PolarHBondContact OG-N 2.78Å
249C97.3Very high95.1Very high17 Ų1729.3 Ų29.312%0.11514%0.144CC..EExtended strand (participates in β ladder)trans-108.5136.1-176.9-59.40000110.2A197 G198 C301A197-C249 WeakPolarHBondContact O-CB 3.16Å; G198-C249 VanDerWaalsContact CA-CB 3.46Å; C249-C301 VanDerWaalsContact C-CB 3.43Å; C249-C301 WeakPolarHBondContact O-CB 3.49Å
250G96.2Very high95.1Very high5 Ų533.3 Ų33.35%0.05217%0.172CC..  trans-94.4-161.1163.900000111.2G198 G199 H253 G302G198-G250 WeakPolarHBondContact CA-O 3.42Å; G199-G250 PolarHBondContact N-O 3.18Å; G250-H253 PolarHBondContact N-O 2.92Å; G250-G302 WeakPolarHBondContact CA-O 3.46Å
251E95.2Very high95.6Very high49 Ų4930.9 Ų30.923%0.22916%0.163CC..SBendtrans-68.3-50.7-179.1-170.5166.9-147.600111.7N146 G199 R303N146-E251 PolarHBondContact ND2-OE1 3Å; N146-E251 VanDerWaalsContact ND2-OE1 3.11Å; G199-E251 WeakPolarHBondContact CA-O 3.29Å; G199-E251 PolarHBondContact N-O 3.11Å; G199-E251 VanDerWaalsContact N-O 3.09Å; E251-R303 HydrophobicContact CB-CG 3.87Å; E251-R303 VanDerWaalsContact CB-O 3.26Å; E251-R303 WeakPolarHBondContact CB-O 3.34Å; E251-R303 HydrophobicContact CG-CG 4.42Å; E251-R303 PolarHBondContact N-O 2.94Å; E251-R303 VanDerWaalsContact N-O 3.13Å; E251-R303 WeakPolarHBondContact OE2-CD 3.06Å; E251-R303 WeakPolarHBondContact OE2-CG 3.15Å; E251-R303 IonicContact OE2-NE 2.92Å
252E96.8Very high96.2Very high66 Ų6625.7 Ų25.731%0.30813%0.132SC..SBendtrans-129.819.7-177.6-60.5-173.2142.600112.3Q221 A268Q221-E252 VanDerWaalsContact CB-O 3.32Å; Q221-E252 WeakPolarHBondContact CB-O 3.26Å; E252-A268 HydrophobicContact CB-CB 3.74Å; E252-A268 WeakPolarHBondContact O-CB 3.43Å; E252-A268 PolarHBondContact O-N 3.11Å
253H98.1Very high96.5Very high0 Ų022.5 Ų22.50%012%0.118CC..EExtended strand (participates in β ladder)trans-142.8163.5175.975.4-67.1000112G250 F266 Q273 L274 T306G250-H253 PolarHBondContact N-O 2.92Å; H253-F266 WeakPolarHBondContact CA-O 3.31Å; H253-Q273 HydrophobicContact CB-CG 4.2Å; H253-L274 HydrophobicContact CB-CD2 3.89Å; H253-T306 PolarHBondContact NE2-OG1 2.86Å
254T98.4Very high96.7Very high0 Ų020.1 Ų20.10%011%0.107CC..EExtended strand (participates in β ladder)trans-134.7136.7-178.2-550000109.7H201 F203 Q221 I247 V256 T265 F266H201-T254 PolarHBondContact NE2-OG1 3.26Å; H201-T254 VanDerWaalsContact NE2-OG1 3.13Å; F203-T254 HydrophobicContact CD2-CG2 4.12Å; F203-T254 HydrophobicContact CE2-CG2 3.7Å; F203-T254 VanDerWaalsContact CE2-OG1 3.26Å; F203-T254 WeakPolarHBondContact CE2-OG1 3.14Å; F203-T254 HydrophobicContact CZ-CG2 4.01Å; Q221-T254 PolarHBondContact O-OG1 3.05Å; I247-T254 HydrophobicContact CG2-CG2 4Å; T254-V256 HydrophobicContact CG2-CG1 4.3Å; T254-T265 WeakPolarHBondContact O-CA 3Å; T254-F266 HydrophobicContact CG2-CE1 4.21Å; T254-F266 HydrophobicContact CG2-CE2 3.97Å; T254-F266 HydrophobicContact CG2-CZ 3.6Å; T254-F266 PolarHBondContact N-O 3.01Å; T254-F266 PolarHBondContact O-N 3.28Å
255A98.3Very high96.8Very high0 Ų020 Ų200%011%0.107CC..EExtended strand (participates in β ladder)trans-119.3138.5171.100000109.8S248 F264 T265 I299 C301 T306S248-A255 PolarHBondContact N-O 3.16Å; S248-A255 PolarHBondContact O-N 3.13Å; S248-A255 VanDerWaalsContact O-O 3.1Å; A255-F264 CarbonylContact C-O 3Å; A255-F264 WeakPolarHBondContact CA-O 3.44Å; A255-T265 HydrophobicContact CB-CG2 3.82Å; A255-I299 HydrophobicContact CB-CD1 3.94Å; A255-C301 VanDerWaalsContact CB-SG 3.52Å; A255-T306 HydrophobicContact CB-CG2 4.31Å
256V98.1Very high96.9Very high0 Ų019.6 Ų19.60%010%0.104CC..EExtended strand (participates in β ladder)trans-127143177.1-570000110.6L239 V244 Y246 I247 T254 V263 F264 F266L239-V256 HydrophobicContact CD1-CG1 4.2Å; L239-V256 HydrophobicContact CD1-CG2 3.95Å; L239-V256 HydrophobicContact CD2-CG2 3.9Å; V244-V256 HydrophobicContact CG1-CB 4Å; V244-V256 HydrophobicContact CG2-CG2 4.44Å; Y246-V256 WeakPolarHBondContact O-CA 3.23Å; I247-V256 HydrophobicContact CG1-CG1 4.06Å; I247-V256 HydrophobicContact CG2-CG1 4.27Å; T254-V256 HydrophobicContact CG2-CG1 4.3Å; V256-V263 WeakPolarHBondContact O-CA 3.44Å; V256-F264 HydrophobicContact CG2-CB 3.63Å; V256-F264 HydrophobicContact CG2-CG 4.43Å; V256-F264 PolarHBondContact N-O 2.75Å; V256-F264 PolarHBondContact O-N 3.15Å; V256-F266 HydrophobicContact CG1-CE1 4.11Å; V256-F266 HydrophobicContact CG1-CZ 4.36Å; V256-F266 HydrophobicContact CG2-CE1 4.41Å
257L97.5Very high97Very high0 Ų017 Ų170%09%0.094CC..EExtended strand (participates in β ladder)trans-112.5132.9179.5-179.166.5000109.7V245 Y246 V263 V296 I299 F390 R391V245-L257 WeakPolarHBondContact CG2-O 3.43Å; V245-L257 PolarHBondContact N-O 2.96Å; Y246-L257 PolarHBondContact N-O 2.92Å; Y246-L257 PolarHBondContact O-N 3.26Å; L257-V263 HydrophobicContact CD1-CG2 4Å; L257-V296 HydrophobicContact CD1-CB 4.01Å; L257-V296 HydrophobicContact CD1-CG1 4Å; L257-I299 HydrophobicContact CB-CD1 3.83Å; L257-I299 HydrophobicContact CB-CG1 4.11Å; L257-I299 HydrophobicContact CD1-CG2 4.49Å; L257-F390 HydrophobicContact CD2-CB 4.19Å; L257-R391 HydrophobicContact CD2-CG 3.91Å; L257-R391 HydrophobicContact CG-CG 4.27Å
258T95.9Very high97Very high2 Ų216.9 Ų16.91%0.0129%0.094CC..EExtended strand (participates in β ladder)trans-93.6159.3176.365.70000111.7Q242 K243 S260 G261 G262 F264Q242-T258 HydrophobicContact CB-CG2 4.01Å; Q242-T258 VanDerWaalsContact O-CB 3.24Å; Q242-T258 WeakPolarHBondContact O-CB 3.42Å; Q242-T258 WeakPolarHBondContact O-CG2 3.27Å; K243-T258 CarbonylContact O-C 3.48Å; K243-T258 WeakPolarHBondContact O-CA 3.29Å; T258-S260 PolarHBondContact O-N 3.1Å; T258-S260 VanDerWaalsContact O-N 3.09Å; T258-S260 PolarHBondContact OG1-OG 3.25Å; T258-S260 VanDerWaalsContact OG1-OG 3.06Å; T258-G261 PolarHBondContact O-N 3.44Å; T258-G262 PolarHBondContact N-O 2.75Å; T258-G262 WeakPolarHBondContact OG1-CA 3.26Å; T258-G262 PolarHBondContact OG1-N 2.96Å; T258-G262 PolarHBondContact OG1-O 2.84Å; T258-F264 HydrophobicContact CG2-CD2 3.97Å; T258-F264 HydrophobicContact CG2-CE2 3.66Å
259K93.6Very high96.9Very high84 Ų8416.1 Ų16.137%0.3659%0.089SC..THydrogen-bonded Turntrans-56.1-27.4175.2-166.1178.7-178.8-170.60113.4K243 V245 G261 R391 D446 F449K243-K259 HydrophobicContact CB-CB 4.26Å; K243-K259 PolarHBondContact O-N 2.9Å; V245-K259 HydrophobicContact CG1-CB 3.84Å; V245-K259 HydrophobicContact CG1-CG 4.37Å; K259-G261 VanDerWaalsContact C-N 3.3Å; K259-R391 WeakPolarHBondContact O-CD 3.21Å; K259-D446 WeakPolarHBondContact CD-OD2 3.13Å; K259-D446 IonicContact NZ-OD1 2.76Å; K259-D446 PolarHBondContact NZ-OD1 3.12Å; K259-D446 IonicContact NZ-OD2 2.83Å; K259-D446 PolarHBondContact NZ-OD2 3.03Å; K259-F449 HydrophobicContact CD-CE2 4.26Å
260S93Very high96.8Very high85 Ų8518.7 Ų18.759%0.59411%0.106SC*.THydrogen-bonded Turntrans-81.6-3.3176.868.40000114.5T258T258-S260 PolarHBondContact O-N 3.1Å; T258-S260 VanDerWaalsContact O-N 3.09Å; T258-S260 PolarHBondContact OG1-OG 3.25Å; T258-S260 VanDerWaalsContact OG1-OG 3.06Å
261G95.3Very high96.8Very high1 Ų119.1 Ų19.11%0.0111%0.109CC..SBendtrans82.49.9-174.600000114.7T258 K259 V296T258-G261 PolarHBondContact O-N 3.44Å; K259-G261 VanDerWaalsContact C-N 3.3Å; G261-V296 WeakPolarHBondContact CA-O 3.18Å; G261-V296 WeakPolarHBondContact O-CB 3.39Å; G261-V296 PolarHBondContact O-N 3.11Å
262G96.4Very high96.8Very high5 Ų516.8 Ų16.85%0.05210%0.098CC..  trans-73.7137.4169.200000111.8T258T258-G262 PolarHBondContact N-O 2.75Å; T258-G262 WeakPolarHBondContact OG1-CA 3.26Å; T258-G262 PolarHBondContact OG1-N 2.96Å; T258-G262 PolarHBondContact OG1-O 2.84Å
263V97.8Very high96.8Very high3 Ų313.8 Ų13.82%0.0188%0.084CC..EExtended strand (participates in β ladder)trans-109.2130.7178.8-179.20000109.9V256 L257 T265 R287 V288 L291 V296 I299V256-V263 WeakPolarHBondContact O-CA 3.44Å; L257-V263 HydrophobicContact CD1-CG2 4Å; V263-T265 HydrophobicContact CG1-CG2 4.38Å; V263-R287 WeakPolarHBondContact O-CA 3.47Å; V263-V288 HydrophobicContact CB-CG2 4.46Å; V263-V288 HydrophobicContact CG1-CG2 4.11Å; V263-V288 PolarHBondContact O-N 3.04Å; V263-L291 HydrophobicContact CB-CD1 4.38Å; V263-L291 HydrophobicContact CG2-CD1 4.24Å; V263-V296 HydrophobicContact CG2-CB 3.8Å; V263-V296 HydrophobicContact CG2-CG1 3.77Å; V263-V296 HydrophobicContact CG2-CG2 3.76Å; V263-I299 HydrophobicContact CG1-CG2 4.29Å; V263-I299 HydrophobicContact CG2-CG2 3.9Å
264F97.9Very high96.8Very high20 Ų2014 Ų149%0.0889%0.085CC..EExtended strand (participates in β ladder)trans-120.2142.6171.8-62.2-112.2000109.8L239 Q242 A255 V256 T258 P285 R286 R287L239-F264 HydrophobicContact CD2-CB 4.42Å; L239-F264 HydrophobicContact CD2-CD1 4.47Å; L239-F264 HydrophobicContact CD2-CG 4.33Å; Q242-F264 HydrophobicContact CB-CE2 4.44Å; Q242-F264 HydrophobicContact CG-CE1 4.48Å; Q242-F264 HydrophobicContact CG-CE2 4.46Å; Q242-F264 HydrophobicContact CG-CZ 4.07Å; A255-F264 CarbonylContact C-O 3Å; A255-F264 WeakPolarHBondContact CA-O 3.44Å; V256-F264 HydrophobicContact CG2-CB 3.63Å; V256-F264 HydrophobicContact CG2-CG 4.43Å; V256-F264 PolarHBondContact N-O 2.75Å; V256-F264 PolarHBondContact O-N 3.15Å; T258-F264 HydrophobicContact CG2-CD2 3.97Å; T258-F264 HydrophobicContact CG2-CE2 3.66Å; F264-P285 HydrophobicContact CB-CB 4.44Å; F264-R286 CarbonylContact C-O 3.26Å; F264-R286 WeakPolarHBondContact CA-O 3.44Å; F264-R287 HydrophobicContact CD1-CB 3.88Å; F264-R287 HydrophobicContact CE1-CB 3.71Å; F264-R287 HydrophobicContact CE1-CG 4.33Å; F264-R287 HydrophobicContact CE2-CG 4.4Å; F264-R287 HydrophobicContact CG-CB 4.41Å; F264-R287 HydrophobicContact CZ-CB 4.09Å; F264-R287 HydrophobicContact CZ-CG 4.22Å
265T98.3Very high96.7Very high0 Ų014 Ų140%09%0.085CC..EExtended strand (participates in β ladder)trans-135147.8-176.640.20000110T254 A255 V263 L274 H276 R286 V288T254-T265 WeakPolarHBondContact O-CA 3Å; A255-T265 HydrophobicContact CB-CG2 3.82Å; V263-T265 HydrophobicContact CG1-CG2 4.38Å; T265-L274 PolarHBondContact OG1-O 3.34Å; T265-H276 PolarHBondContact OG1-CE1 2.98Å; T265-H276 PolarHBondContact OG1-NE2 3.24Å; T265-R286 PolarHBondContact N-O 3.43Å; T265-R286 PolarHBondContact O-N 3.05Å; T265-V288 HydrophobicContact CG2-CG2 4.07Å; T265-V288 WeakPolarHBondContact OG1-CG2 3.39Å
266F98.4Very high96.6Very high0 Ų014.5 Ų14.50%09%0.087CC..EExtended strand (participates in β ladder)trans-162.5161.6179.449.4-82.7000110.8F203 Q221 L222 G223 L239 H253 T254 V256 E282 P285F203-F266 HydrophobicContact CE1-CZ 4.45Å; F203-F266 AromaticContact CZ-CE2 3.84Å; F203-F266 HydrophobicContact CZ-CE2 3.84Å; F203-F266 HydrophobicContact CZ-CZ 4.09Å; Q221-F266 WeakPolarHBondContact O-CD2 3.36Å; Q221-F266 WeakPolarHBondContact O-CE2 3.44Å; L222-F266 VanDerWaalsContact C-CE2 3.48Å; G223-F266 VanDerWaalsContact CA-CD2 3.47Å; G223-F266 VanDerWaalsContact N-CD2 3.34Å; L239-F266 HydrophobicContact CD1-CE1 4.21Å; L239-F266 HydrophobicContact CD1-CZ 4.43Å; H253-F266 WeakPolarHBondContact CA-O 3.31Å; T254-F266 HydrophobicContact CG2-CE1 4.21Å; T254-F266 HydrophobicContact CG2-CE2 3.97Å; T254-F266 HydrophobicContact CG2-CZ 3.6Å; T254-F266 PolarHBondContact N-O 3.01Å; T254-F266 PolarHBondContact O-N 3.28Å; V256-F266 HydrophobicContact CG1-CE1 4.11Å; V256-F266 HydrophobicContact CG1-CZ 4.36Å; V256-F266 HydrophobicContact CG2-CE1 4.41Å; F266-E282 WeakPolarHBondContact CB-O 3.48Å; F266-P285 HydrophobicContact CD1-CB 3.6Å; F266-P285 HydrophobicContact CD1-CG 3.72Å; F266-P285 HydrophobicContact CE1-CB 3.92Å; F266-P285 HydrophobicContact CE1-CG 3.85Å; F266-P285 HydrophobicContact CG-CB 4.34Å; F266-P285 HydrophobicContact CG-CG 4.15Å; F266-P285 HydrophobicContact CZ-CG 4.36Å
267G98.1Very high96.4Very high0 Ų018.4 Ų18.40%011%0.108CC..EExtended strand (participates in β ladder)trans106.6-148.7-172.200000113.2A219 Q221 G269 L274 D281 E282A219-G267 CarbonylContact O-C 3.6Å; A219-G267 WeakPolarHBondContact O-CA 3.3Å; Q221-G267 VanDerWaalsContact CA-CA 3.47Å; G267-G269 PolarHBondContact O-N 3.32Å; G267-L274 WeakPolarHBondContact O-CD1 3.42Å; G267-D281 VanDerWaalsContact O-CA 3.29Å; G267-D281 WeakPolarHBondContact O-CA 3.35Å; G267-E282 PolarHBondContact N-O 3.36Å; G267-E282 PolarHBondContact O-N 3.22Å
268A97.8Very high96.3Very high2 Ų219.8 Ų19.82%0.01712%0.118CC..  trans-63.5131-178.700000112A219 E252 Q273 L274 D281A219-A268 HydrophobicContact CB-CB 3.91Å; E252-A268 HydrophobicContact CB-CB 3.74Å; E252-A268 WeakPolarHBondContact O-CB 3.43Å; E252-A268 PolarHBondContact O-N 3.11Å; A268-Q273 WeakPolarHBondContact O-CG 3.1Å; A268-Q273 PolarHBondContact O-NE2 3.13Å; A268-Q273 VanDerWaalsContact O-NE2 3.15Å; A268-L274 WeakPolarHBondContact O-CD2 3.32Å; A268-L274 WeakPolarHBondContact O-CG 3.5Å; A268-D281 VanDerWaalsContact CA-OD1 3.3Å; A268-D281 WeakPolarHBondContact CA-OD1 3.19Å
269G96.6Very high96.3Very high0 Ų023.3 Ų23.30%014%0.135CC..  trans-117.1-0.2179.100000114.7G267 C271 G272 Q273 M279 N280 D281G267-G269 PolarHBondContact O-N 3.32Å; G269-C271 PolarHBondContact O-N 2.83Å; G269-G272 PolarHBondContact O-N 3.01Å; G269-Q273 VanDerWaalsContact C-OE1 3.28Å; G269-Q273 PolarHBondContact O-OE1 3.39Å; G269-M279 CarbonylContact C-O 3.6Å; G269-M279 VanDerWaalsContact C-O 3.26Å; G269-M279 CarbonylContact O-C 3.5Å; G269-M279 WeakPolarHBondContact O-CA 3.47Å; G269-N280 WeakPolarHBondContact CA-O 3.46Å; G269-D281 PolarHBondContact N-OD1 3.47Å
270S95.8Very high96.4Very high70 Ų7024.7 Ų24.749%0.4915%0.146SC..THydrogen-bonded Turntrans-54-24.1-171.558.90000116.3M279S270-M279 PolarHBondContact N-O 3.28Å
271C94.9Very high96.6Very high15 Ų1524.2 Ų24.210%0.10114%0.137CC..THydrogen-bonded Turntrans-108.10.4176.7-700000113.4G269 M279 Q304 G320 C321G269-C271 PolarHBondContact O-N 2.83Å; C271-M279 VanDerWaalsContact C-SD 3.54Å; C271-Q304 PolarHBondContact SG-OE1 3.05Å; C271-G320 CarbonylContact O-C 3.03Å; C271-G320 VanDerWaalsContact O-CA 3.28Å; C271-G320 WeakPolarHBondContact O-CA 3.46Å; C271-C321 HydrophobicContact CB-CB 3.78Å
272G95.8Very high96.7Very high0 Ų026 Ų260%015%0.145CC..SBendtrans88.112.7-177.900000113.9G269 L274 G275 M279 G320G269-G272 PolarHBondContact O-N 3.01Å; G272-L274 PolarHBondContact O-N 3.03Å; G272-L274 VanDerWaalsContact O-N 3.09Å; G272-G275 PolarHBondContact O-N 3.1Å; G272-M279 VanDerWaalsContact CA-SD 3.53Å; G272-M279 PolarHBondContact N-SD 2.64Å; G272-G320 PolarHBondContact O-N 2.92Å
273Q96.7Very high96.8Very high3 Ų327.4 Ų27.41%0.01415%0.153CC..THydrogen-bonded Turntrans-68.6-7.5-172.664.4-92.748.900114.4H253 A268 G269 Q304 T306 F319 G320H253-Q273 HydrophobicContact CB-CG 4.2Å; A268-Q273 WeakPolarHBondContact O-CG 3.1Å; A268-Q273 PolarHBondContact O-NE2 3.13Å; A268-Q273 VanDerWaalsContact O-NE2 3.15Å; G269-Q273 VanDerWaalsContact C-OE1 3.28Å; G269-Q273 PolarHBondContact O-OE1 3.39Å; Q273-Q304 WeakPolarHBondContact CB-O 3.33Å; Q273-T306 PolarHBondContact O-OG1 3.25Å; Q273-F319 WeakPolarHBondContact O-CD2 3.15Å; Q273-F319 WeakPolarHBondContact O-CE2 3.31Å; Q273-G320 VanDerWaalsContact CA-CA 3.5Å
274L97.4Very high96.7Very high3 Ų330.1 Ų30.12%0.01617%0.167CC..THydrogen-bonded Turntrans-91.4-17.7173.2-49.5179.3000112.7H253 T265 G267 A268 G272 H276 E282H253-L274 HydrophobicContact CB-CD2 3.89Å; T265-L274 PolarHBondContact OG1-O 3.34Å; G267-L274 WeakPolarHBondContact O-CD1 3.42Å; A268-L274 WeakPolarHBondContact O-CD2 3.32Å; A268-L274 WeakPolarHBondContact O-CG 3.5Å; G272-L274 PolarHBondContact O-N 3.03Å; G272-L274 VanDerWaalsContact O-N 3.09Å; L274-H276 VanDerWaalsContact CB-CD2 3.47Å; L274-H276 WeakPolarHBondContact CB-CD2 3.35Å; L274-H276 PolarHBondContact O-CE1 3.41Å; L274-H276 PolarHBondContact O-N 2.79Å; L274-E282 HydrophobicContact CD1-CB 3.81Å; L274-E282 HydrophobicContact CD1-CG 3.57Å
275G96.5Very high96.7Very high0 Ų030 Ų300%017%0.168CC..  trans71.524.1173.900000115.1G272 F319 K336 P338G272-G275 PolarHBondContact O-N 3.1Å; G275-F319 VanDerWaalsContact N-CD2 3.3Å; G275-K336 CarbonylContact C-O 3.18Å; G275-K336 VanDerWaalsContact C-O 3.22Å; G275-K336 VanDerWaalsContact CA-O 3.25Å; G275-K336 WeakPolarHBondContact CA-O 3.45Å; G275-P338 WeakPolarHBondContact O-CD 3.48Å
276H96.2Very high96.6Very high12 Ų1234.3 Ų34.36%0.05619%0.185CC..SBendtrans-98.422.8-176-61.5-43000114.8T265 L274 S278 R286 K336T265-H276 PolarHBondContact OG1-CE1 2.98Å; T265-H276 PolarHBondContact OG1-NE2 3.24Å; L274-H276 VanDerWaalsContact CB-CD2 3.47Å; L274-H276 WeakPolarHBondContact CB-CD2 3.35Å; L274-H276 PolarHBondContact O-CE1 3.41Å; L274-H276 PolarHBondContact O-N 2.79Å; H276-S278 PolarHBondContact O-N 3.12Å; H276-S278 VanDerWaalsContact O-N 3.12Å; H276-R286 PolarHBondContact CE1-O 3.49Å; H276-R286 VanDerWaalsContact CE1-O 3.29Å; H276-K336 PolarHBondContact N-O 2.86Å
277D95.4Very high96.5Very high81 Ų8138.9 Ų38.943%0.43320%0.202SC..SBendtrans5523.5-169.8-156.535.4000114.6K336 C337D277-K336 WeakPolarHBondContact CA-O 3.48Å; D277-K336 PolarHBondContact N-O 2.96Å; D277-K336 PolarHBondContact O-NZ 3.04Å; D277-K336 VanDerWaalsContact OD1-CD 3.32Å; D277-K336 WeakPolarHBondContact OD1-CD 3.33Å; D277-K336 WeakPolarHBondContact OD1-CE 3.47Å; D277-K336 WeakPolarHBondContact OD1-CG 3.37Å; D277-K336 IonicContact OD1-NZ 3.4Å; D277-K336 PolarHBondContact OD1-NZ 3.11Å; D277-K336 IonicContact OD2-NZ 2.71Å; D277-K336 PolarHBondContact OD2-NZ 2.95Å; D277-C337 WeakPolarHBondContact CA-SG 3.43Å; D277-C337 WeakPolarHBondContact CB-SG 3.42Å; D277-C337 PolarHBondContact OD1-SG 3Å
278S94.7Very high96.5Very high30 Ų3038.9 Ų38.921%0.2120%0.202CC..SBendtrans-138.3158.2-174-177.10000110.5H276 N280H276-S278 PolarHBondContact O-N 3.12Å; H276-S278 VanDerWaalsContact O-N 3.12Å; S278-N280 PolarHBondContact OG-N 3.25Å; S278-N280 VanDerWaalsContact OG-N 3.16Å; S278-N280 PolarHBondContact OG-ND2 3.29Å
279M95Very high96.3Very high76 Ų7643.6 Ų43.637%0.37423%0.226SC..  trans-106.510.4172-60-60.8-169.100112.6G269 S270 C271 G272 N334 K336G269-M279 CarbonylContact C-O 3.6Å; G269-M279 VanDerWaalsContact C-O 3.26Å; G269-M279 CarbonylContact O-C 3.5Å; G269-M279 WeakPolarHBondContact O-CA 3.47Å; S270-M279 PolarHBondContact N-O 3.28Å; C271-M279 VanDerWaalsContact C-SD 3.54Å; G272-M279 VanDerWaalsContact CA-SD 3.53Å; G272-M279 PolarHBondContact N-SD 2.64Å; M279-N334 HydrophobicContact CE-CB 4.24Å; M279-K336 HydrophobicContact CE-CB 3.95Å; M279-K336 HydrophobicContact SD-CB 4.28Å
280N96.3Very high96.1Very high112 Ų11248 Ų4860%0.59925%0.247SC*.SBendtrans-82.3148.7179.9-62.6-18.7000110.9G269 S278G269-N280 WeakPolarHBondContact CA-O 3.46Å; S278-N280 PolarHBondContact OG-N 3.25Å; S278-N280 VanDerWaalsContact OG-N 3.16Å; S278-N280 PolarHBondContact OG-ND2 3.29Å
281D97.3Very high96Very high76 Ų7645 Ų4541%0.40623%0.225SC..  trans-69.9148.9169.8-58.1-19.1000110.4G267 A268 G269G267-D281 VanDerWaalsContact O-CA 3.29Å; G267-D281 WeakPolarHBondContact O-CA 3.35Å; A268-D281 VanDerWaalsContact CA-OD1 3.3Å; A268-D281 WeakPolarHBondContact CA-OD1 3.19Å; G269-D281 PolarHBondContact N-OD1 3.47Å
282E97.8Very high95.7Very high37 Ų3749.8 Ų49.817%0.17325%0.248CC..EExtended strand (participates in β ladder)trans-124.4107.4-178.8-66.2-75.7-17700109.7F266 G267 L274 N284 R286F266-E282 WeakPolarHBondContact CB-O 3.48Å; G267-E282 PolarHBondContact N-O 3.36Å; G267-E282 PolarHBondContact O-N 3.22Å; L274-E282 HydrophobicContact CD1-CB 3.81Å; L274-E282 HydrophobicContact CD1-CG 3.57Å; E282-N284 PolarHBondContact O-N 3.45Å; E282-R286 WeakPolarHBondContact OE1-CD 3.48Å; E282-R286 IonicContact OE1-CZ 3.86Å; E282-R286 IonicContact OE1-NH1 3.42Å; E282-R286 PolarHBondContact OE1-NH1 3.2Å
283V97.1Very high95.2Very high35 Ų3553.6 Ų53.621%0.21229%0.287CS..EExtended strand (participates in β ladder)trans-75.9-9177.8-59.60000114G223 S225 E227G223-V283 CarbonylContact C-O 3.53Å; G223-V283 VanDerWaalsContact C-O 3.28Å; G223-V283 VanDerWaalsContact CA-O 3.31Å; G223-V283 WeakPolarHBondContact CA-O 3.45Å; S225-V283 PolarHBondContact N-O 2.95Å; S225-V283 VanDerWaalsContact N-O 3.11Å; E227-V283 HydrophobicContact CG-CG1 3.8Å
284N97.1Very high94.9Very high60 Ų6055.1 Ų55.132%0.32130%0.298SS..EExtended strand (participates in β ladder)trans-122.1140.5-179.8-67.9-51.3000109.8S225 L238 E282 R286S225-N284 VanDerWaalsContact CA-OD1 3.29Å; S225-N284 WeakPolarHBondContact CA-OD1 3.32Å; S225-N284 VanDerWaalsContact CB-OD1 3.24Å; S225-N284 WeakPolarHBondContact CB-OD1 3.16Å; S225-N284 PolarHBondContact OG-OD1 3.31Å; L238-N284 HydrophobicContact CD1-CB 3.95Å; L238-N284 WeakPolarHBondContact CD1-OD1 3.28Å; E282-N284 PolarHBondContact O-N 3.45Å; N284-R286 PolarHBondContact O-N 2.86Å
285P97.6Very high94.7Very high17 Ų1760.3 Ų60.311%0.1132%0.322CS..EExtended strand (participates in β ladder)trans-56.2113.7172.3-24.234.7000111.3G223 V236 L238 L239 F264 F266G223-P285 WeakPolarHBondContact O-CD 3.28Å; V236-P285 HydrophobicContact CG1-CG 3.88Å; L238-P285 HydrophobicContact CB-CG 4.48Å; L239-P285 HydrophobicContact CD1-CB 4.34Å; L239-P285 HydrophobicContact CD1-CG 4.09Å; L239-P285 HydrophobicContact CD2-CB 3.69Å; L239-P285 HydrophobicContact CD2-CG 4.19Å; L239-P285 HydrophobicContact CG-CB 3.98Å; L239-P285 HydrophobicContact CG-CG 3.89Å; F264-P285 HydrophobicContact CB-CB 4.44Å; F266-P285 HydrophobicContact CD1-CB 3.6Å; F266-P285 HydrophobicContact CD1-CG 3.72Å; F266-P285 HydrophobicContact CE1-CB 3.92Å; F266-P285 HydrophobicContact CE1-CG 3.85Å; F266-P285 HydrophobicContact CG-CB 4.34Å; F266-P285 HydrophobicContact CG-CG 4.15Å; F266-P285 HydrophobicContact CZ-CG 4.36Å
286R96.7Very high94.8Very high91 Ų9160.3 Ų60.334%0.34332%0.322SS..EExtended strand (participates in β ladder)trans-113.2134.3-178.6-179.9176.5174-172.4-4.5109.9F264 T265 H276 E282 N284F264-R286 CarbonylContact C-O 3.26Å; F264-R286 WeakPolarHBondContact CA-O 3.44Å; T265-R286 PolarHBondContact N-O 3.43Å; T265-R286 PolarHBondContact O-N 3.05Å; H276-R286 PolarHBondContact CE1-O 3.49Å; H276-R286 VanDerWaalsContact CE1-O 3.29Å; E282-R286 WeakPolarHBondContact OE1-CD 3.48Å; E282-R286 IonicContact OE1-CZ 3.86Å; E282-R286 IonicContact OE1-NH1 3.42Å; E282-R286 PolarHBondContact OE1-NH1 3.2Å; N284-R286 PolarHBondContact O-N 2.86Å
287R96.2Very high94.8Very high96 Ų9659.9 Ų59.936%0.36232%0.32SS..EExtended strand (participates in β ladder)trans-72.2136178.1-169.4176.9175.5174.52.5110.3V263 F264 L289V263-R287 WeakPolarHBondContact O-CA 3.47Å; F264-R287 HydrophobicContact CD1-CB 3.88Å; F264-R287 HydrophobicContact CE1-CB 3.71Å; F264-R287 HydrophobicContact CE1-CG 4.33Å; F264-R287 HydrophobicContact CE2-CG 4.4Å; F264-R287 HydrophobicContact CG-CB 4.41Å; F264-R287 HydrophobicContact CZ-CB 4.09Å; F264-R287 HydrophobicContact CZ-CG 4.22Å; R287-L289 PolarHBondContact O-N 3.27Å
288V97.1Very high94.8Very high1 Ų156 Ų561%0.00630%0.299CS..  trans-76.4110.4173.1-175.70000108.9V263 T265 L291 P338V263-V288 HydrophobicContact CB-CG2 4.46Å; V263-V288 HydrophobicContact CG1-CG2 4.11Å; V263-V288 PolarHBondContact O-N 3.04Å; T265-V288 HydrophobicContact CG2-CG2 4.07Å; T265-V288 WeakPolarHBondContact OG1-CG2 3.39Å; V288-L291 HydrophobicContact CB-CD1 4.32Å; V288-L291 HydrophobicContact CG1-CB 4.36Å; V288-L291 HydrophobicContact CG1-CD1 3.96Å; V288-L291 HydrophobicContact CG1-CG 3.98Å; V288-P338 HydrophobicContact CG1-CG 3.52Å
289L94.1Very high95Very high100 Ų10054.6 Ų54.652%0.52429%0.289SS..G310 helixtrans-74.4-33.5-169.9-67.8177.8000112.4R287 L291 M292R287-L289 PolarHBondContact O-N 3.27Å; L289-L291 PolarHBondContact O-N 2.97Å; L289-M292 WeakPolarHBondContact O-CB 3.49Å; L289-M292 PolarHBondContact O-N 3.17Å
290E93.4Very high95.1Very high93 Ų9351.3 Ų51.344%0.43527%0.274SS..G310 helixtrans-66.6-22.4-179-7068.6-157.400112P338E290-P338 HydrophobicContact CB-CB 4.45Å; E290-P338 HydrophobicContact CB-CG 3.98Å
291L93.3Very high95.1Very high7 Ų746.3 Ų46.34%0.03725%0.248CC..G310 helixtrans-93.71.8173.2-61.3175.4000112.4V263 V288 L289 S294 V296 A308 Y317 P338V263-L291 HydrophobicContact CB-CD1 4.38Å; V263-L291 HydrophobicContact CG2-CD1 4.24Å; V288-L291 HydrophobicContact CB-CD1 4.32Å; V288-L291 HydrophobicContact CG1-CB 4.36Å; V288-L291 HydrophobicContact CG1-CD1 3.96Å; V288-L291 HydrophobicContact CG1-CG 3.98Å; L289-L291 PolarHBondContact O-N 2.97Å; L291-S294 WeakPolarHBondContact O-CB 3.47Å; L291-S294 PolarHBondContact O-N 3.19Å; L291-S294 VanDerWaalsContact O-N 3.15Å; L291-V296 HydrophobicContact CB-CG2 4.32Å; L291-V296 HydrophobicContact CD1-CG2 4.25Å; L291-A308 HydrophobicContact CD1-CB 3.79Å; L291-Y317 HydrophobicContact CD2-CD1 4.49Å; L291-Y317 HydrophobicContact CD2-CD2 3.95Å; L291-Y317 HydrophobicContact CD2-CE2 4.42Å; L291-Y317 HydrophobicContact CD2-CG 3.99Å; L291-P338 HydrophobicContact CD1-CG 4.23Å; L291-P338 HydrophobicContact CD2-CB 3.97Å; L291-P338 HydrophobicContact CD2-CG 4.36Å; L291-P338 HydrophobicContact CG-CB 4.13Å; L291-P338 HydrophobicContact CG-CG 3.96Å
292M88.5Confident95Very high116 Ų11642.8 Ų42.857%0.57123%0.23SC*.THydrogen-bonded Turntrans-66.4135.1179.1-172.9168.3157.400110.9L289 S294L289-M292 WeakPolarHBondContact O-CB 3.49Å; L289-M292 PolarHBondContact O-N 3.17Å; M292-S294 PolarHBondContact O-N 3.2Å
293G84.9Confident94.9Very high79 Ų7943.4 Ų43.481%0.81423%0.231SC*.THydrogen-bonded Turntrans82.8-11-174.200000114.1
294S91.3Very high94.8Very high36 Ų3644.4 Ų44.425%0.25223%0.233SC..SBendtrans-90.1141.6166.9-64.80000110.6L291 M292 V296L291-S294 WeakPolarHBondContact O-CB 3.47Å; L291-S294 PolarHBondContact O-N 3.19Å; L291-S294 VanDerWaalsContact O-N 3.15Å; M292-S294 PolarHBondContact O-N 3.2Å; S294-V296 PolarHBondContact O-N 2.94Å
295E93Very high94.8Very high112 Ų11241.5 Ų41.552%0.52322%0.218SC..  trans-89.194.2170.3-70.6-166.9-165.200109.7P311 R391E295-P311 VanDerWaalsContact O-CD 3.29Å; E295-P311 WeakPolarHBondContact O-CD 3.4Å; E295-R391 IonicContact OE2-CZ 3.94Å; E295-R391 IonicContact OE2-NH1 2.69Å; E295-R391 PolarHBondContact OE2-NH1 3.31Å; E295-R391 IonicContact OE2-NH2 2.7Å
296V96.8Very high94.8Very high0 Ų040.7 Ų40.70%021%0.212CC..  trans-74134.3173.3-178.20000109.1L257 G261 V263 L291 S294 Q298 I299 A308 F309 V310 R391L257-V296 HydrophobicContact CD1-CB 4.01Å; L257-V296 HydrophobicContact CD1-CG1 4Å; G261-V296 WeakPolarHBondContact CA-O 3.18Å; G261-V296 WeakPolarHBondContact O-CB 3.39Å; G261-V296 PolarHBondContact O-N 3.11Å; V263-V296 HydrophobicContact CG2-CB 3.8Å; V263-V296 HydrophobicContact CG2-CG1 3.77Å; V263-V296 HydrophobicContact CG2-CG2 3.76Å; L291-V296 HydrophobicContact CB-CG2 4.32Å; L291-V296 HydrophobicContact CD1-CG2 4.25Å; S294-V296 PolarHBondContact O-N 2.94Å; V296-Q298 WeakPolarHBondContact CG1-O 3.47Å; V296-I299 HydrophobicContact CG1-CG2 3.89Å; V296-A308 HydrophobicContact CG1-CB 3.99Å; V296-F309 WeakPolarHBondContact CA-O 3.35Å; V296-F309 WeakPolarHBondContact CG1-O 3.19Å; V296-V310 HydrophobicContact CG2-CG2 4Å; V296-R391 WeakPolarHBondContact O-CD 3.42Å
297T96.3Very high94.9Very high2 Ų236.4 Ų36.41%0.01220%0.196CC..  trans-116.2-17.6178.661.10000114.3F309 P311 D389 F390T297-F309 PolarHBondContact N-O 3.1Å; T297-P311 HydrophobicContact CG2-CG 3.33Å; T297-P311 WeakPolarHBondContact OG1-CD 3.13Å; T297-P311 WeakPolarHBondContact OG1-CG 3.47Å; T297-D389 WeakPolarHBondContact CB-OD1 3.48Å; T297-F390 VanDerWaalsContact O-CB 3.3Å; T297-F390 WeakPolarHBondContact O-CB 3.38Å; T297-F390 PolarHBondContact O-N 3.35Å
298Q97.2Very high94.9Very high0 Ų031.8 Ų31.80%018%0.179CC..EExtended strand (participates in β ladder)trans-139.1139.9176.8-52.9177.61600109.6V296 A308 F309 K365 Q366 I367 V388 F390V296-Q298 WeakPolarHBondContact CG1-O 3.47Å; Q298-A308 WeakPolarHBondContact O-CA 3.14Å; Q298-F309 HydrophobicContact CB-CB 4.08Å; Q298-F309 HydrophobicContact CG-CD1 4.36Å; Q298-F309 PolarHBondContact O-N 3.49Å; Q298-K365 PolarHBondContact NE2-O 2.98Å; Q298-Q366 VanDerWaalsContact OE1-CA 3.23Å; Q298-I367 HydrophobicContact CB-CD1 3.94Å; Q298-I367 HydrophobicContact CB-CG1 3.81Å; Q298-V388 WeakPolarHBondContact CG-O 3.27Å; Q298-V388 PolarHBondContact NE2-O 3.27Å; Q298-F390 HydrophobicContact CB-CD2 3.82Å; Q298-F390 HydrophobicContact CB-CE2 3.72Å; Q298-F390 HydrophobicContact CB-CG 4.43Å; Q298-F390 HydrophobicContact CB-CZ 4.26Å; Q298-F390 HydrophobicContact CG-CD1 4.29Å; Q298-F390 HydrophobicContact CG-CD2 4.04Å; Q298-F390 HydrophobicContact CG-CE1 4.23Å; Q298-F390 HydrophobicContact CG-CE2 3.99Å; Q298-F390 HydrophobicContact CG-CG 4.18Å; Q298-F390 HydrophobicContact CG-CZ 4.08Å
299I97.7Very high94.9Very high0 Ų032 Ų320%018%0.18CC..EExtended strand (participates in β ladder)trans-129.2145.1168.757.3168.7000108.7Y246 A255 L257 V263 V296 L307 A308Y246-I299 HydrophobicContact CD1-CD1 4.12Å; Y246-I299 HydrophobicContact CD1-CG1 3.69Å; Y246-I299 HydrophobicContact CE1-CG1 3.98Å; A255-I299 HydrophobicContact CB-CD1 3.94Å; L257-I299 HydrophobicContact CB-CD1 3.83Å; L257-I299 HydrophobicContact CB-CG1 4.11Å; L257-I299 HydrophobicContact CD1-CG2 4.49Å; V263-I299 HydrophobicContact CG1-CG2 4.29Å; V263-I299 HydrophobicContact CG2-CG2 3.9Å; V296-I299 HydrophobicContact CG1-CG2 3.89Å; I299-L307 VanDerWaalsContact CA-O 3.26Å; I299-L307 WeakPolarHBondContact CA-O 3.36Å; I299-A308 HydrophobicContact CG2-CB 4.4Å
300A97.4Very high95Very high7 Ų727.3 Ų27.36%0.05816%0.155CC..EExtended strand (participates in β ladder)trans-144.5127.9173.900000109.5T306 L307 I367 S369A300-T306 WeakPolarHBondContact O-CA 3.37Å; A300-L307 HydrophobicContact CB-CB 4.48Å; A300-L307 PolarHBondContact N-O 3.37Å; A300-L307 PolarHBondContact O-N 3.02Å; A300-I367 HydrophobicContact CB-CD1 3.99Å; A300-I367 HydrophobicContact CB-CG1 4.05Å; A300-S369 VanDerWaalsContact CB-OG 3.22Å; A300-S369 WeakPolarHBondContact CB-OG 3.42Å; A300-S369 PolarHBondContact O-OG 2.99Å
301C97.2Very high95Very high7 Ų724.9 Ų24.95%0.04715%0.148CC..EExtended strand (participates in β ladder)trans-100.8131.6176.1-66.90000110S248 C249 A255 H305 T306 S369S248-C301 PolarHBondContact O-SG 3.31Å; S248-C301 PolarHBondContact OG-N 2.78Å; C249-C301 VanDerWaalsContact C-CB 3.43Å; C249-C301 WeakPolarHBondContact O-CB 3.49Å; A255-C301 VanDerWaalsContact CB-SG 3.52Å; C301-H305 WeakPolarHBondContact CA-O 3.34Å; C301-T306 PolarHBondContact SG-OG1 3.36Å; C301-T306 VanDerWaalsContact SG-OG1 3.39Å; C301-S369 PolarHBondContact N-OG 3.39Å; C301-S369 PolarHBondContact O-OG 2.65Å
302G95.1Very high94.8Very high3 Ų328.8 Ų28.83%0.03118%0.175CC..  trans-96.7-161.3164.200000110.5G250 Q304 H305 S369G250-G302 WeakPolarHBondContact CA-O 3.46Å; G302-Q304 PolarHBondContact O-N 2.77Å; G302-H305 PolarHBondContact N-O 3.04Å; G302-S369 PolarHBondContact N-OG 3.37Å
303R93.9Very high94.9Very high49 Ų4925.3 Ų25.319%0.18516%0.163CC..SBendtrans-56.8-51.1-177.7-171.1178.7-92.2165.4-6.1112E93 E251 G371 D372E93-R303 IonicContact OE1-NH2 3.55Å; E93-R303 PolarHBondContact OE1-NH2 3.37Å; E93-R303 IonicContact OE2-CZ 2.94Å; E93-R303 IonicContact OE2-NH2 3.73Å; E93-R303 PolarHBondContact OE2-NH2 2.78Å; E251-R303 HydrophobicContact CB-CG 3.87Å; E251-R303 VanDerWaalsContact CB-O 3.26Å; E251-R303 WeakPolarHBondContact CB-O 3.34Å; E251-R303 HydrophobicContact CG-CG 4.42Å; E251-R303 PolarHBondContact N-O 2.94Å; E251-R303 VanDerWaalsContact N-O 3.13Å; E251-R303 WeakPolarHBondContact OE2-CD 3.06Å; E251-R303 WeakPolarHBondContact OE2-CG 3.15Å; E251-R303 IonicContact OE2-NE 2.92Å; R303-G371 VanDerWaalsContact CB-O 3.25Å; R303-G371 WeakPolarHBondContact CB-O 3.28Å; R303-G371 PolarHBondContact N-O 2.92Å; R303-D372 IonicContact NH1-OD2 2.67Å
304Q96.1Very high95.2Very high56 Ų5621.6 Ų21.626%0.26212%0.124SC..SBendtrans-139.830.5-177.5-66.5179.6-15.200112.1C271 Q273 G302 G320 C321C271-Q304 PolarHBondContact SG-OE1 3.05Å; Q273-Q304 WeakPolarHBondContact CB-O 3.33Å; G302-Q304 PolarHBondContact O-N 2.77Å; Q304-G320 WeakPolarHBondContact O-CA 3.41Å; Q304-C321 HydrophobicContact CB-CB 3.68Å; Q304-C321 WeakPolarHBondContact O-CB 3.4Å; Q304-C321 PolarHBondContact O-N 3.06Å
305H96.8Very high95.3Very high0 Ų022.3 Ų22.30%013%0.125CC..EExtended strand (participates in β ladder)trans-146.3159.9176.969-72.3000111.6C301 G302 F319 Q326 L327 T374C301-H305 WeakPolarHBondContact CA-O 3.34Å; G302-H305 PolarHBondContact N-O 3.04Å; H305-F319 CarbonylContact C-O 3.55Å; H305-F319 WeakPolarHBondContact CA-O 3.35Å; H305-F319 WeakPolarHBondContact CB-O 3.33Å; H305-Q326 HydrophobicContact CB-CG 4.25Å; H305-L327 HydrophobicContact CB-CD2 3.64Å; H305-T374 PolarHBondContact NE2-OG1 3.2Å
306T97.8Very high95.5Very high0 Ų017 Ų170%010%0.1CC..EExtended strand (participates in β ladder)trans-133.1141.3177.7-66.50000110.1H253 A255 Q273 A300 C301 A318 F319H253-T306 PolarHBondContact NE2-OG1 2.86Å; A255-T306 HydrophobicContact CB-CG2 4.31Å; Q273-T306 PolarHBondContact O-OG1 3.25Å; A300-T306 WeakPolarHBondContact O-CA 3.37Å; C301-T306 PolarHBondContact SG-OG1 3.36Å; C301-T306 VanDerWaalsContact SG-OG1 3.39Å; T306-A318 WeakPolarHBondContact O-CA 3.2Å; T306-F319 HydrophobicContact CG2-CE1 4.11Å; T306-F319 HydrophobicContact CG2-CE2 3.85Å; T306-F319 HydrophobicContact CG2-CZ 3.46Å; T306-F319 VanDerWaalsContact CG2-CZ 3.46Å; T306-F319 PolarHBondContact N-O 2.96Å; T306-F319 PolarHBondContact O-N 2.97Å
307L97.7Very high95.5Very high0 Ų019.1 Ų19.10%011%0.108CC..EExtended strand (participates in β ladder)trans-115.1143.3175.6-57.4171000109.4I299 A300 I316 Y317 A318 I367 T374I299-L307 VanDerWaalsContact CA-O 3.26Å; I299-L307 WeakPolarHBondContact CA-O 3.36Å; A300-L307 HydrophobicContact CB-CB 4.48Å; A300-L307 PolarHBondContact N-O 3.37Å; A300-L307 PolarHBondContact O-N 3.02Å; L307-I316 HydrophobicContact CD2-CG2 4.46Å; L307-Y317 CarbonylContact C-O 3.47Å; L307-Y317 VanDerWaalsContact CA-O 3.27Å; L307-Y317 WeakPolarHBondContact CA-O 3.44Å; L307-A318 HydrophobicContact CD2-CB 3.51Å; L307-I367 HydrophobicContact CB-CD1 3.82Å; L307-T374 HydrophobicContact CD1-CG2 3.23Å; L307-T374 HydrophobicContact CD2-CG2 4.43Å; L307-T374 HydrophobicContact CG-CG2 4.43Å
308A97.9Very high95.5Very high0 Ų019 Ų190%011%0.107CC..EExtended strand (participates in β ladder)trans-136.9130.2173.900000110.1L291 V296 Q298 I299 Y317L291-A308 HydrophobicContact CD1-CB 3.79Å; V296-A308 HydrophobicContact CG1-CB 3.99Å; Q298-A308 WeakPolarHBondContact O-CA 3.14Å; I299-A308 HydrophobicContact CG2-CB 4.4Å; A308-Y317 PolarHBondContact N-O 2.87Å; A308-Y317 PolarHBondContact O-N 3.32Å
309F97.3Very high95.6Very high6 Ų619 Ų193%0.02611%0.107CC..EExtended strand (participates in β ladder)trans-106.1132.5179.1175.9-114.9000111.9V296 T297 Q298 P311 L315 I316 V364 I367 A387V296-F309 WeakPolarHBondContact CA-O 3.35Å; V296-F309 WeakPolarHBondContact CG1-O 3.19Å; T297-F309 PolarHBondContact N-O 3.1Å; Q298-F309 HydrophobicContact CB-CB 4.08Å; Q298-F309 HydrophobicContact CG-CD1 4.36Å; Q298-F309 PolarHBondContact O-N 3.49Å; F309-P311 HydrophobicContact CD1-CG 4.09Å; F309-P311 HydrophobicContact CE1-CB 4.02Å; F309-P311 HydrophobicContact CE1-CG 3.66Å; F309-P311 HydrophobicContact CZ-CB 4.33Å; F309-P311 HydrophobicContact CZ-CG 4.4Å; F309-L315 WeakPolarHBondContact CD2-O 3.45Å; F309-I316 HydrophobicContact CD2-CG1 3.9Å; F309-V364 HydrophobicContact CD1-CG1 4.39Å; F309-V364 HydrophobicContact CD2-CB 4.01Å; F309-V364 HydrophobicContact CD2-CG1 3.92Å; F309-V364 HydrophobicContact CD2-CG2 4.04Å; F309-V364 HydrophobicContact CE1-CB 4.35Å; F309-V364 HydrophobicContact CE1-CG1 4.36Å; F309-V364 HydrophobicContact CE2-CB 3.47Å; F309-V364 VanDerWaalsContact CE2-CB 3.47Å; F309-V364 HydrophobicContact CE2-CG1 3.89Å; F309-V364 HydrophobicContact CE2-CG2 3.6Å; F309-V364 HydrophobicContact CG-CG1 4.18Å; F309-V364 HydrophobicContact CZ-CB 3.67Å; F309-V364 HydrophobicContact CZ-CG1 4.12Å; F309-V364 HydrophobicContact CZ-CG2 4.28Å; F309-I367 HydrophobicContact CB-CD1 4.33Å; F309-I367 HydrophobicContact CB-CG2 4.43Å; F309-A387 HydrophobicContact CD1-CB 4.31Å; F309-A387 HydrophobicContact CE1-CB 3.51Å; F309-A387 HydrophobicContact CZ-CB 4.23Å
310V95.8Very high95.5Very high0 Ų019 Ų190%011%0.107CC..EExtended strand (participates in β ladder)trans-117.9101.3-179.9179.70000109.9V296 S312 S313 G314 L315 Y317V296-V310 HydrophobicContact CG2-CG2 4Å; V310-S312 VanDerWaalsContact C-N 3.32Å; V310-S312 WeakPolarHBondContact CG1-OG 3.37Å; V310-S312 PolarHBondContact O-N 3.01Å; V310-S313 PolarHBondContact O-N 3.05Å; V310-S313 PolarHBondContact O-OG 2.82Å; V310-S313 VanDerWaalsContact O-OG 3.11Å; V310-G314 PolarHBondContact O-N 2.87Å; V310-L315 PolarHBondContact N-O 2.85Å; V310-Y317 HydrophobicContact CB-CE2 4.21Å; V310-Y317 HydrophobicContact CG2-CD2 3.96Å; V310-Y317 HydrophobicContact CG2-CE2 3.76Å
311P92.2Very high95.5Very high43 Ų4319.1 Ų19.128%0.27911%0.108SC..THydrogen-bonded Turntrans-61.5-33.6-173-23.230.7000115.2E295 T297 F309 S313 G314 A347E295-P311 VanDerWaalsContact O-CD 3.29Å; E295-P311 WeakPolarHBondContact O-CD 3.4Å; T297-P311 HydrophobicContact CG2-CG 3.33Å; T297-P311 WeakPolarHBondContact OG1-CD 3.13Å; T297-P311 WeakPolarHBondContact OG1-CG 3.47Å; F309-P311 HydrophobicContact CD1-CG 4.09Å; F309-P311 HydrophobicContact CE1-CB 4.02Å; F309-P311 HydrophobicContact CE1-CG 3.66Å; F309-P311 HydrophobicContact CZ-CB 4.33Å; F309-P311 HydrophobicContact CZ-CG 4.4Å; P311-S313 VanDerWaalsContact C-N 3.25Å; P311-S313 PolarHBondContact O-N 2.98Å; P311-G314 PolarHBondContact O-N 2.89Å; P311-A347 WeakPolarHBondContact O-CB 3.29Å
312S90.5Very high95.3Very high89 Ų8918.8 Ų18.862%0.62211%0.106SC*.THydrogen-bonded Turntrans-62.2-34.4-178.457.60000112.5V310 A347V310-S312 VanDerWaalsContact C-N 3.32Å; V310-S312 WeakPolarHBondContact CG1-OG 3.37Å; V310-S312 PolarHBondContact O-N 3.01Å; S312-A347 WeakPolarHBondContact O-CB 3.4Å
313S90.4Very high95.1Very high43 Ų4321.1 Ų21.130%0.30113%0.125SC..THydrogen-bonded Turntrans-94.9-21.617567.70000112.9V310 P311 L315V310-S313 PolarHBondContact O-N 3.05Å; V310-S313 PolarHBondContact O-OG 2.82Å; V310-S313 VanDerWaalsContact O-OG 3.11Å; P311-S313 VanDerWaalsContact C-N 3.25Å; P311-S313 PolarHBondContact O-N 2.98Å; S313-L315 PolarHBondContact O-N 3.49Å; S313-L315 WeakPolarHBondContact OG-CB 3.43Å; S313-L315 PolarHBondContact OG-N 2.96Å; S313-L315 VanDerWaalsContact OG-N 3.13Å
314G90.8Very high95Very high0 Ų023.3 Ų23.30%013%0.133CC..THydrogen-bonded Turntrans71.62.5-168.300000113.7V310 P311 W345V310-G314 PolarHBondContact O-N 2.87Å; P311-G314 PolarHBondContact O-N 2.89Å; G314-W345 WeakPolarHBondContact O-CB 3.16Å
315L94.1Very high94.7Very high52 Ų5220.7 Ų20.727%0.27212%0.121SC..EExtended strand (participates in β ladder)trans-82.5146-176.6-62.1173.8000111.8F309 V310 S313 Y317 W345F309-L315 WeakPolarHBondContact CD2-O 3.45Å; V310-L315 PolarHBondContact N-O 2.85Å; S313-L315 PolarHBondContact O-N 3.49Å; S313-L315 WeakPolarHBondContact OG-CB 3.43Å; S313-L315 PolarHBondContact OG-N 2.96Å; S313-L315 VanDerWaalsContact OG-N 3.13Å; L315-Y317 HydrophobicContact CB-CE2 3.99Å; L315-W345 HydrophobicContact CD2-CB 4.28Å
316I96.4Very high94.5Very high0 Ų020.7 Ų20.70%012%0.121CC..EExtended strand (participates in β ladder)trans-102.6129.7165.8-53.9170.6000106.6L307 F309 P340 V341 W345 V364 I367 V376L307-I316 HydrophobicContact CD2-CG2 4.46Å; F309-I316 HydrophobicContact CD2-CG1 3.9Å; I316-P340 CarbonylContact O-C 3.22Å; I316-P340 WeakPolarHBondContact O-CA 3.43Å; I316-V341 HydrophobicContact CB-CB 4.18Å; I316-V341 HydrophobicContact CB-CG2 3.88Å; I316-V341 HydrophobicContact CG2-CG2 3.71Å; I316-V341 WeakPolarHBondContact O-CG2 3.36Å; I316-V341 PolarHBondContact O-N 3.24Å; I316-W345 HydrophobicContact CD1-CE3 4.31Å; I316-W345 HydrophobicContact CD1-CH2 3.73Å; I316-W345 HydrophobicContact CD1-CZ2 3.96Å; I316-W345 HydrophobicContact CD1-CZ3 3.91Å; I316-V364 HydrophobicContact CD1-CG1 4.48Å; I316-V364 HydrophobicContact CD1-CG2 3.78Å; I316-V364 HydrophobicContact CG1-CG2 3.94Å; I316-I367 HydrophobicContact CD1-CG2 4.01Å; I316-I367 HydrophobicContact CG1-CG2 4.33Å; I316-I367 HydrophobicContact CG2-CG2 4.47Å; I316-V376 HydrophobicContact CD1-CB 4.48Å; I316-V376 HydrophobicContact CD1-CG1 3.94Å; I316-V376 HydrophobicContact CD1-CG2 3.74Å
317Y96.9Very high94.3Very high44 Ų4420.7 Ų20.717%0.17312%0.121CC..EExtended strand (participates in β ladder)trans-102.7137.9172-65.2-91.4000109.5L291 L307 A308 V310 L315 P338 S339 P340L291-Y317 HydrophobicContact CD2-CD1 4.49Å; L291-Y317 HydrophobicContact CD2-CD2 3.95Å; L291-Y317 HydrophobicContact CD2-CE2 4.42Å; L291-Y317 HydrophobicContact CD2-CG 3.99Å; L307-Y317 CarbonylContact C-O 3.47Å; L307-Y317 VanDerWaalsContact CA-O 3.27Å; L307-Y317 WeakPolarHBondContact CA-O 3.44Å; A308-Y317 PolarHBondContact N-O 2.87Å; A308-Y317 PolarHBondContact O-N 3.32Å; V310-Y317 HydrophobicContact CB-CE2 4.21Å; V310-Y317 HydrophobicContact CG2-CD2 3.96Å; V310-Y317 HydrophobicContact CG2-CE2 3.76Å; L315-Y317 HydrophobicContact CB-CE2 3.99Å; Y317-P338 HydrophobicContact CD1-CB 4.17Å; Y317-P338 HydrophobicContact CG-CB 4.36Å; Y317-S339 CarbonylContact C-O 3.03Å; Y317-S339 WeakPolarHBondContact CA-O 3.26Å; Y317-P340 HydrophobicContact CD1-CG 4.23Å; Y317-P340 HydrophobicContact CE1-CG 3.87Å
318A97.4Very high94.1Very high0 Ų020.7 Ų20.70%012%0.121CC..EExtended strand (participates in β ladder)trans-127.6143.317700000110.7T306 L307 L327 S339 V341T306-A318 WeakPolarHBondContact O-CA 3.2Å; L307-A318 HydrophobicContact CD2-CB 3.51Å; A318-L327 HydrophobicContact CB-CB 4.12Å; A318-L327 HydrophobicContact CB-CD2 4.17Å; A318-L327 WeakPolarHBondContact CB-O 3.4Å; A318-S339 PolarHBondContact N-O 3.18Å; A318-S339 PolarHBondContact O-N 3.07Å; A318-V341 HydrophobicContact CB-CG2 3.77Å
319F97.6Very high93.8Very high0 Ų021.6 Ų21.60%013%0.127CC..EExtended strand (participates in β ladder)trans-153.4152.5175.949.1-82.7000110.4Q273 G275 H305 T306 V335 P338Q273-F319 WeakPolarHBondContact O-CD2 3.15Å; Q273-F319 WeakPolarHBondContact O-CE2 3.31Å; G275-F319 VanDerWaalsContact N-CD2 3.3Å; H305-F319 CarbonylContact C-O 3.55Å; H305-F319 WeakPolarHBondContact CA-O 3.35Å; H305-F319 WeakPolarHBondContact CB-O 3.33Å; T306-F319 HydrophobicContact CG2-CE1 4.11Å; T306-F319 HydrophobicContact CG2-CE2 3.85Å; T306-F319 HydrophobicContact CG2-CZ 3.46Å; T306-F319 VanDerWaalsContact CG2-CZ 3.46Å; T306-F319 PolarHBondContact N-O 2.96Å; T306-F319 PolarHBondContact O-N 2.97Å; F319-V335 CarbonylContact C-O 3.6Å; F319-V335 HydrophobicContact CB-CG1 4.35Å; F319-P338 HydrophobicContact CD1-CB 3.89Å; F319-P338 HydrophobicContact CD1-CG 3.78Å; F319-P338 HydrophobicContact CE1-CB 4.22Å; F319-P338 HydrophobicContact CE1-CG 3.9Å; F319-P338 HydrophobicContact CG-CG 4.38Å
320G97.3Very high93.4Very high0 Ų022.8 Ų22.80%014%0.14CC..EExtended strand (participates in β ladder)trans118.8-149.8-174.300000114.4C271 G272 Q273 Q304 G322 L327 N334 V335C271-G320 CarbonylContact O-C 3.03Å; C271-G320 VanDerWaalsContact O-CA 3.28Å; C271-G320 WeakPolarHBondContact O-CA 3.46Å; G272-G320 PolarHBondContact O-N 2.92Å; Q273-G320 VanDerWaalsContact CA-CA 3.5Å; Q304-G320 WeakPolarHBondContact O-CA 3.41Å; G320-G322 PolarHBondContact O-N 3.15Å; G320-L327 WeakPolarHBondContact O-CD1 3.29Å; G320-N334 CarbonylContact O-C 3.55Å; G320-N334 WeakPolarHBondContact O-CA 3.48Å; G320-V335 PolarHBondContact N-O 2.96Å; G320-V335 PolarHBondContact O-N 3.49Å
321C96.1Very high93.2Very high10 Ų1026.7 Ų26.77%0.06816%0.159CC..  trans-66.2127.6-177.4-172.80000110.8C271 Q304 Q326 L327 N334C271-C321 HydrophobicContact CB-CB 3.78Å; Q304-C321 HydrophobicContact CB-CB 3.68Å; Q304-C321 WeakPolarHBondContact O-CB 3.4Å; Q304-C321 PolarHBondContact O-N 3.06Å; C321-Q326 WeakPolarHBondContact O-CG 3.43Å; C321-Q326 PolarHBondContact O-NE2 2.75Å; C321-Q326 PolarHBondContact O-OE1 2.83Å; C321-L327 WeakPolarHBondContact O-CD2 3.23Å; C321-L327 VanDerWaalsContact O-CG 3.3Å; C321-L327 WeakPolarHBondContact O-CG 3.32Å; C321-N334 WeakPolarHBondContact CA-OD1 3.29Å
322G93.2Very high93.2Very high0 Ų028 Ų280%017%0.166CC..  trans-107.2-4.6175.400000113.9G320 R324 G325 Q326 T332 N334G320-G322 PolarHBondContact O-N 3.15Å; G322-R324 PolarHBondContact O-N 3.38Å; G322-G325 PolarHBondContact O-N 2.85Å; G322-Q326 PolarHBondContact O-OE1 3.45Å; G322-T332 CarbonylContact C-O 3.31Å; G322-T332 CarbonylContact O-C 3.59Å; G322-T332 VanDerWaalsContact O-C 3.31Å; G322-T332 WeakPolarHBondContact O-CA 3.3Å; G322-T332 VanDerWaalsContact O-O 3.08Å; G322-N334 PolarHBondContact N-OD1 2.87Å
323A92.2Very high93.3Very high52 Ų5227.7 Ų27.743%0.4316%0.162SC..THydrogen-bonded Turntrans-58.3-24.8-167.400000114.3T332A323-T332 WeakPolarHBondContact CA-O 3.32Å; A323-T332 PolarHBondContact N-O 2.72Å
324R90.4Very high93.5Very high94 Ų9428.8 Ų28.836%0.35517%0.165SC..THydrogen-bonded Turntrans-10911.8178.3-58-61.4-168.7164.20.7113G5 Y6 G322 Q326 D372G5-R324 CarbonylContact C-O 3.59Å; G5-R324 VanDerWaalsContact CA-O 3.3Å; G5-R324 WeakPolarHBondContact CA-O 3.43Å; Y6-R324 HydrophobicContact CD2-CB 4.43Å; Y6-R324 HydrophobicContact CD2-CG 4.42Å; Y6-R324 PolarHBondContact N-O 3.06Å; Y6-R324 PolarHBondContact OH-NH1 2.9Å; G322-R324 PolarHBondContact O-N 3.38Å; R324-Q326 VanDerWaalsContact C-N 3.26Å; R324-Q326 VanDerWaalsContact CA-OE1 3.31Å; R324-Q326 PolarHBondContact O-N 2.88Å; R324-D372 HydrophobicContact CB-CB 3.99Å; R324-D372 HydrophobicContact CG-CB 4.04Å
325G90.6Very high93.8Very high1 Ų129.4 Ų29.41%0.0117%0.169CC..SBendtrans76.94.7-178.800000114.6W4 G322 L327 G328W4-G325 VanDerWaalsContact CD1-O 3.28Å; G322-G325 PolarHBondContact O-N 2.85Å; G325-L327 PolarHBondContact O-N 3.18Å; G325-G328 PolarHBondContact O-N 3.24Å; G325-G328 VanDerWaalsContact O-N 3.11Å
326Q92.4Very high93.8Very high0 Ų031 Ų310%017%0.174CC..THydrogen-bonded Turntrans-64-12.9-169.563.9-93.765.300115.2W4 H305 C321 G322 R324 D372 T374W4-Q326 PolarHBondContact NE1-O 2.88Å; H305-Q326 HydrophobicContact CB-CG 4.25Å; C321-Q326 WeakPolarHBondContact O-CG 3.43Å; C321-Q326 PolarHBondContact O-NE2 2.75Å; C321-Q326 PolarHBondContact O-OE1 2.83Å; G322-Q326 PolarHBondContact O-OE1 3.45Å; R324-Q326 VanDerWaalsContact C-N 3.26Å; R324-Q326 VanDerWaalsContact CA-OE1 3.31Å; R324-Q326 PolarHBondContact O-N 2.88Å; Q326-D372 WeakPolarHBondContact CB-O 3.37Å; Q326-T374 PolarHBondContact O-OG1 3.25Å
327L94.1Very high93.7Very high0 Ų032.2 Ų32.20%018%0.182CC..THydrogen-bonded Turntrans-83.8-22.6176.9-55.9179.6000114H305 A318 G320 C321 G325 T329 V335H305-L327 HydrophobicContact CB-CD2 3.64Å; A318-L327 HydrophobicContact CB-CB 4.12Å; A318-L327 HydrophobicContact CB-CD2 4.17Å; A318-L327 WeakPolarHBondContact CB-O 3.4Å; G320-L327 WeakPolarHBondContact O-CD1 3.29Å; C321-L327 WeakPolarHBondContact O-CD2 3.23Å; C321-L327 VanDerWaalsContact O-CG 3.3Å; C321-L327 WeakPolarHBondContact O-CG 3.32Å; G325-L327 PolarHBondContact O-N 3.18Å; L327-T329 VanDerWaalsContact C-N 3.28Å; L327-T329 HydrophobicContact CB-CG2 4.03Å; L327-T329 PolarHBondContact O-N 2.76Å; L327-V335 HydrophobicContact CD1-CB 3.66Å; L327-V335 HydrophobicContact CD1-CG2 3.48Å; L327-V335 VanDerWaalsContact CD1-CG2 3.48Å
328G92.5Very high93.6Very high1 Ų130.9 Ų30.91%0.0118%0.178CC..  trans70.120.3178.900000114.6W4 A23 G325 K342W4-G328 VanDerWaalsContact CD1-N 3.35Å; W4-G328 VanDerWaalsContact NE1-N 3.15Å; A23-G328 CarbonylContact O-C 3.47Å; A23-G328 WeakPolarHBondContact O-CA 3.12Å; G325-G328 PolarHBondContact O-N 3.24Å; G325-G328 VanDerWaalsContact O-N 3.11Å; G328-K342 WeakPolarHBondContact O-CB 3.28Å; G328-K342 PolarHBondContact O-N 3.15Å
329T91.3Very high93.5Very high19 Ų1932.6 Ų32.612%0.11719%0.191CC..SBendtrans-86.4-3.4-178.6590000113.7A23 L327 H331A23-T329 PolarHBondContact O-N 2.9Å; L327-T329 VanDerWaalsContact C-N 3.28Å; L327-T329 HydrophobicContact CB-CG2 4.03Å; L327-T329 PolarHBondContact O-N 2.76Å; T329-H331 PolarHBondContact OG1-CD2 3.21Å; T329-H331 PolarHBondContact OG1-CE1 2.98Å; T329-H331 PolarHBondContact OG1-ND1 2.98Å; T329-H331 PolarHBondContact OG1-NE2 3.03Å; T329-H331 VanDerWaalsContact OG1-NE2 3.08Å
330G89.9Confident93.4Very high30 Ų3036 Ų3631%0.30921%0.212SC..SBendtrans86.14.4-176.100000115.2A23A23-G330 WeakPolarHBondContact O-CA 3.47Å; A23-G330 PolarHBondContact O-N 2.83Å
331H90.2Very high93.3Very high83 Ų8336.1 Ų36.138%0.38421%0.213SC..SBendtrans-138.5165.3174.155.973.1000111.1T329T329-H331 PolarHBondContact OG1-CD2 3.21Å; T329-H331 PolarHBondContact OG1-CE1 2.98Å; T329-H331 PolarHBondContact OG1-ND1 2.98Å; T329-H331 PolarHBondContact OG1-NE2 3.03Å; T329-H331 VanDerWaalsContact OG1-NE2 3.08Å
332T92.3Very high93.2Very high71 Ų7140.6 Ų40.644%0.43623%0.232SC..  trans-101.19.4-177.853.60000114.2I21 G322 A323I21-T332 HydrophobicContact CG2-CG2 3.98Å; G322-T332 CarbonylContact C-O 3.31Å; G322-T332 CarbonylContact O-C 3.59Å; G322-T332 VanDerWaalsContact O-C 3.31Å; G322-T332 WeakPolarHBondContact O-CA 3.3Å; G322-T332 VanDerWaalsContact O-O 3.08Å; A323-T332 WeakPolarHBondContact CA-O 3.32Å; A323-T332 PolarHBondContact N-O 2.72Å
333C93.1Very high92.9Very high81 Ų8142.8 Ų42.855%0.54725%0.254SS..SBendtrans-77.5146.9176.7-55.50000112
334N95.5Very high92.7Very high66 Ų6646 Ų4635%0.35326%0.256SS..  trans-63.7146.4170.5-67.2-3000111M279 G320 C321 G322M279-N334 HydrophobicContact CE-CB 4.24Å; G320-N334 CarbonylContact O-C 3.55Å; G320-N334 WeakPolarHBondContact O-CA 3.48Å; C321-N334 WeakPolarHBondContact CA-OD1 3.29Å; G322-N334 PolarHBondContact N-OD1 2.87Å
335V95.8Very high92.7Very high13 Ų1342.2 Ų42.28%0.07924%0.242CC..EExtended strand (participates in β ladder)trans-126113.4-175.4172.60000108.8F319 G320 L327 C337 S339F319-V335 CarbonylContact C-O 3.6Å; F319-V335 HydrophobicContact CB-CG1 4.35Å; G320-V335 PolarHBondContact N-O 2.96Å; G320-V335 PolarHBondContact O-N 3.49Å; L327-V335 HydrophobicContact CD1-CB 3.66Å; L327-V335 HydrophobicContact CD1-CG2 3.48Å; L327-V335 VanDerWaalsContact CD1-CG2 3.48Å; V335-C337 WeakPolarHBondContact CG1-O 3.42Å; V335-S339 WeakPolarHBondContact CG1-OG 3.26Å
336K94.4Very high92.5Very high86 Ų8642.4 Ų42.437%0.37424%0.243SC..EExtended strand (participates in β ladder)trans-87.2-7.9-175.657.4177.2-178.5129.80115.5G275 H276 D277 M279G275-K336 CarbonylContact C-O 3.18Å; G275-K336 VanDerWaalsContact C-O 3.22Å; G275-K336 VanDerWaalsContact CA-O 3.25Å; G275-K336 WeakPolarHBondContact CA-O 3.45Å; H276-K336 PolarHBondContact N-O 2.86Å; D277-K336 WeakPolarHBondContact CA-O 3.48Å; D277-K336 PolarHBondContact N-O 2.96Å; D277-K336 PolarHBondContact O-NZ 3.04Å; D277-K336 VanDerWaalsContact OD1-CD 3.32Å; D277-K336 WeakPolarHBondContact OD1-CD 3.33Å; D277-K336 WeakPolarHBondContact OD1-CE 3.47Å; D277-K336 WeakPolarHBondContact OD1-CG 3.37Å; D277-K336 IonicContact OD1-NZ 3.4Å; D277-K336 PolarHBondContact OD1-NZ 3.11Å; D277-K336 IonicContact OD2-NZ 2.71Å; D277-K336 PolarHBondContact OD2-NZ 2.95Å; M279-K336 HydrophobicContact CE-CB 3.95Å; M279-K336 HydrophobicContact SD-CB 4.28Å
337C94.1Very high92.3Very high26 Ų2642.9 Ų42.918%0.17625%0.247CC..EExtended strand (participates in β ladder)trans-132.2144.4180-78.90000110.5D277 V335 S339D277-C337 WeakPolarHBondContact CA-SG 3.43Å; D277-C337 WeakPolarHBondContact CB-SG 3.42Å; D277-C337 PolarHBondContact OD1-SG 3Å; V335-C337 WeakPolarHBondContact CG1-O 3.42Å; C337-S339 PolarHBondContact O-N 3.28Å; C337-S339 PolarHBondContact O-OG 3.23Å
338P96.3Very high91.6Very high15 Ų1546.7 Ų46.710%0.09727%0.265CS..EExtended strand (participates in β ladder)trans-47.9112.8175.6-27.233.9000112.5G275 V288 E290 L291 Y317 F319G275-P338 WeakPolarHBondContact O-CD 3.48Å; V288-P338 HydrophobicContact CG1-CG 3.52Å; E290-P338 HydrophobicContact CB-CB 4.45Å; E290-P338 HydrophobicContact CB-CG 3.98Å; L291-P338 HydrophobicContact CD1-CG 4.23Å; L291-P338 HydrophobicContact CD2-CB 3.97Å; L291-P338 HydrophobicContact CD2-CG 4.36Å; L291-P338 HydrophobicContact CG-CB 4.13Å; L291-P338 HydrophobicContact CG-CG 3.96Å; Y317-P338 HydrophobicContact CD1-CB 4.17Å; Y317-P338 HydrophobicContact CG-CB 4.36Å; F319-P338 HydrophobicContact CD1-CB 3.89Å; F319-P338 HydrophobicContact CD1-CG 3.78Å; F319-P338 HydrophobicContact CE1-CB 4.22Å; F319-P338 HydrophobicContact CE1-CG 3.9Å; F319-P338 HydrophobicContact CG-CG 4.38Å
339S95.1Very high90.8Very high37 Ų3751.7 Ų51.726%0.25930%0.3SS..EExtended strand (participates in β ladder)trans-118.7136.5-177.3-64.60000110.7Y317 A318 V335 C337 V341Y317-S339 CarbonylContact C-O 3.03Å; Y317-S339 WeakPolarHBondContact CA-O 3.26Å; A318-S339 PolarHBondContact N-O 3.18Å; A318-S339 PolarHBondContact O-N 3.07Å; V335-S339 WeakPolarHBondContact CG1-OG 3.26Å; C337-S339 PolarHBondContact O-N 3.28Å; C337-S339 PolarHBondContact O-OG 3.23Å; S339-V341 PolarHBondContact O-N 3.31Å
340P95.1Very high89.7Confident70 Ų7052 Ų5246%0.45531%0.306SS..EExtended strand (participates in β ladder)trans-59.4130.4179.3-23.132.4000112.3I316 Y317I316-P340 CarbonylContact O-C 3.22Å; I316-P340 WeakPolarHBondContact O-CA 3.43Å; Y317-P340 HydrophobicContact CD1-CG 4.23Å; Y317-P340 HydrophobicContact CE1-CG 3.87Å
341V95.8Very high88.3Confident4 Ų459.5 Ų59.52%0.02433%0.333CS..PPolyproline II helixtrans-64.9132.4171.8177.20000109W4 P25 I316 A318 S339 G343 W345W4-V341 HydrophobicContact CH2-CG1 3.9Å; W4-V341 HydrophobicContact CZ2-CG1 3.75Å; W4-V341 HydrophobicContact CZ2-CG2 4.26Å; P25-V341 HydrophobicContact CG-CG1 3.63Å; I316-V341 HydrophobicContact CB-CB 4.18Å; I316-V341 HydrophobicContact CB-CG2 3.88Å; I316-V341 HydrophobicContact CG2-CG2 3.71Å; I316-V341 WeakPolarHBondContact O-CG2 3.36Å; I316-V341 PolarHBondContact O-N 3.24Å; A318-V341 HydrophobicContact CB-CG2 3.77Å; S339-V341 PolarHBondContact O-N 3.31Å; V341-G343 PolarHBondContact O-N 2.86Å; V341-W345 HydrophobicContact CB-CZ2 4.48Å; V341-W345 HydrophobicContact CG1-CZ2 3.93Å; V341-W345 PolarHBondContact O-NE1 3.11Å
342K92.5Very high87.1Confident104 Ų10456.5 Ų56.545%0.45232%0.32SS..SBendtrans-66.6126.2-178.4-171.3176.9177.6-175.40110E24 P25 G328E24-K342 VanDerWaalsContact CD-NZ 3.3Å; E24-K342 HydrophobicContact CG-CD 4.11Å; E24-K342 IonicContact OE1-NZ 2.97Å; E24-K342 PolarHBondContact OE1-NZ 3.38Å; E24-K342 IonicContact OE2-NZ 2.63Å; E24-K342 PolarHBondContact OE2-NZ 2.63Å; P25-K342 WeakPolarHBondContact CD-O 3.34Å; P25-K342 WeakPolarHBondContact CG-O 3.32Å; G328-K342 WeakPolarHBondContact O-CB 3.28Å; G328-K342 PolarHBondContact O-N 3.15Å
343G87.9Confident85.4Confident46 Ų4657.1 Ų57.147%0.47433%0.327SS..SBendtrans163172179.300000112.8V341 W345V341-G343 PolarHBondContact O-N 2.86Å; G343-W345 PolarHBondContact O-N 3.35Å
344Y87.4Confident83.6Confident118 Ų11858 Ų5846%0.46334%0.341SS..  trans-91.990174-63.7-82.2000108.8K360 Y361 H362Y344-K360 WeakPolarHBondContact CB-O 3.49Å; Y344-K360 HydrophobicContact CD1-CB 4.34Å; Y344-K360 HydrophobicContact CD2-CB 4.24Å; Y344-K360 HydrophobicContact CG-CB 4.1Å; Y344-Y361 HydrophobicContact CD1-CE2 4.49Å; Y344-Y361 CarbonylContact O-C 2.93Å; Y344-Y361 WeakPolarHBondContact O-CA 3.32Å; Y344-H362 PolarHBondContact O-N 2.88Å
345W90.5Very high82.1Confident16 Ų1661.6 Ų61.66%0.06135%0.349CS..BIsolated β-bridgetrans-104.1143.4-179.2-50.9109.6000111.7L2 P25 G314 L315 I316 V341 G343 Y361 H362 V364 V376L2-W345 HydrophobicContact CD1-CH2 3.56Å; L2-W345 HydrophobicContact CD1-CZ2 4.46Å; L2-W345 HydrophobicContact CD1-CZ3 3.86Å; P25-W345 HydrophobicContact CG-CZ2 4.22Å; G314-W345 WeakPolarHBondContact O-CB 3.16Å; L315-W345 HydrophobicContact CD2-CB 4.28Å; I316-W345 HydrophobicContact CD1-CE3 4.31Å; I316-W345 HydrophobicContact CD1-CH2 3.73Å; I316-W345 HydrophobicContact CD1-CZ2 3.96Å; I316-W345 HydrophobicContact CD1-CZ3 3.91Å; V341-W345 HydrophobicContact CB-CZ2 4.48Å; V341-W345 HydrophobicContact CG1-CZ2 3.93Å; V341-W345 PolarHBondContact O-NE1 3.11Å; G343-W345 PolarHBondContact O-N 3.35Å; W345-Y361 VanDerWaalsContact O-CD1 3.32Å; W345-Y361 WeakPolarHBondContact O-CD1 3.34Å; W345-H362 HydrophobicContact CE3-CB 4.24Å; W345-H362 HydrophobicContact CZ3-CB 4.28Å; W345-V364 HydrophobicContact CE3-CG2 3.69Å; W345-V364 HydrophobicContact CZ3-CG2 3.84Å; W345-V376 HydrophobicContact CH2-CG1 4.32Å; W345-V376 HydrophobicContact CZ3-CG1 4.18Å
346A87.4Confident80.5Confident4 Ų466 Ų663%0.03339%0.387CS..  trans-135140.5-179.600000111.4L352 Y361 H362 I363 Y381A346-L352 HydrophobicContact CB-CD1 3.24Å; A346-Y361 HydrophobicContact CB-CD1 4Å; A346-Y361 HydrophobicContact CB-CG 4.35Å; A346-H362 PolarHBondContact N-O 3.15Å; A346-I363 HydrophobicContact CB-CG1 4.21Å; A346-Y381 HydrophobicContact CB-CD2 4.46Å
347A86.7Confident79.4Confident11 Ų1164.7 Ų64.79%0.09138%0.384CS..  trans-68.8141.2166.500000110.3P311 S312 S349 G350P311-A347 WeakPolarHBondContact O-CB 3.29Å; S312-A347 WeakPolarHBondContact O-CB 3.4Å; A347-S349 VanDerWaalsContact C-N 3.33Å; A347-S349 PolarHBondContact O-N 2.99Å; A347-G350 PolarHBondContact O-N 2.62Å; A347-G350 VanDerWaalsContact O-N 3.15Å
348H80.8Confident78.2Confident80 Ų8067.5 Ų67.537%0.3739%0.391SS..THydrogen-bonded Turntrans-61.2-39.6179.7174.462.2000112.9G350 I363 S384H348-G350 VanDerWaalsContact C-N 3.35Å; H348-I363 HydrophobicContact CB-CD1 4.48Å; H348-I363 HydrophobicContact CB-CG2 4.15Å; H348-S384 PolarHBondContact CE1-O 3.24Å; H348-S384 PolarHBondContact CE1-OG 3.17Å; H348-S384 PolarHBondContact ND1-OG 2.91Å
349S74.5Confident77Confident106 Ų10672.7 Ų72.774%0.74141%0.412SS*.THydrogen-bonded Turntrans-86.7-0.2177.852.80000114.1A347A347-S349 VanDerWaalsContact C-N 3.33Å; A347-S349 PolarHBondContact O-N 2.99Å
350G68Low76.4Confident25 Ų2576.4 Ų76.426%0.25842%0.424SS..SBendtrans-73.1132.6-17800000112.1A347 H348 L352 Y381A347-G350 PolarHBondContact O-N 2.62Å; A347-G350 VanDerWaalsContact O-N 3.15Å; H348-G350 VanDerWaalsContact C-N 3.35Å; G350-L352 PolarHBondContact O-N 3.19Å; G350-Y381 PolarHBondContact O-OH 2.81Å
351Q61.1Low75.9Confident187 Ų18774.7 Ų74.787%0.87441%0.409SS*.  trans-72.391.6172.2-71.7-175.9-13.100110.5
352L64.1Low75.5Confident20 Ų2076.8 Ų76.811%0.10542%0.418CS..  trans-101.52.7170.4-78.4148.2000112.3A346 G350 A354 R355 Y361 Y381A346-L352 HydrophobicContact CB-CD1 3.24Å; G350-L352 PolarHBondContact O-N 3.19Å; L352-A354 PolarHBondContact O-N 3.42Å; L352-R355 PolarHBondContact O-N 2.58Å; L352-R355 VanDerWaalsContact O-N 3.16Å; L352-Y361 HydrophobicContact CD2-CD2 4.41Å; L352-Y361 HydrophobicContact CD2-CE1 4.49Å; L352-Y361 HydrophobicContact CD2-CE2 4.28Å; L352-Y381 HydrophobicContact CB-CD2 4.42Å; L352-Y381 HydrophobicContact CB-CE1 4.25Å; L352-Y381 HydrophobicContact CB-CE2 3.85Å; L352-Y381 HydrophobicContact CD1-CD2 3.99Å; L352-Y381 HydrophobicContact CD1-CE2 3.68Å; L352-Y381 HydrophobicContact CG-CE2 4.37Å; L352-Y381 PolarHBondContact N-OH 3.13Å
353S56.4Low75.3Confident84 Ų8472 Ų7259%0.58740%0.397SS*.THydrogen-bonded Turntrans-58.1-20.6-17354.40000114.9
354A55.2Low75.5Confident101 Ų10169.8 Ų69.884%0.83538%0.375SS*.THydrogen-bonded Turntrans-97.3-0.8-178.400000115.5L352L352-A354 PolarHBondContact O-N 3.42Å
355R65.1Low75.7Confident141 Ų14167.8 Ų67.853%0.53237%0.368SS..  trans-99.3133.1-177.1-75-168.1-179.6174.41.1113.2L352 D357 R358 Y361L352-R355 PolarHBondContact O-N 2.58Å; L352-R355 VanDerWaalsContact O-N 3.16Å; R355-D357 WeakPolarHBondContact CB-OD1 3.41Å; R355-D357 PolarHBondContact O-N 2.76Å; R355-R358 WeakPolarHBondContact O-CB 3.48Å; R355-R358 PolarHBondContact O-N 3.36Å; R355-Y361 PolarHBondContact NH1-OH 2.83Å
356A61.4Low75.9Confident106 Ų10669 Ų6988%0.87638%0.375SS*.THydrogen-bonded Turntrans-66.1-19.8179.700000114
357D71.9Confident76.3Confident58 Ų5869 Ų6931%0.3137%0.374SS..THydrogen-bonded Turntrans-99.912.7-178.965-23.5000114.1R355 F359 K360R355-D357 WeakPolarHBondContact CB-OD1 3.41Å; R355-D357 PolarHBondContact O-N 2.76Å; D357-F359 PolarHBondContact O-N 2.91Å; D357-K360 HydrophobicContact CB-CD 4.4Å; D357-K360 WeakPolarHBondContact O-CB 3.39Å; D357-K360 PolarHBondContact O-N 2.68Å
358R69.5Low76.7Confident85 Ų8569.3 Ų69.332%0.32137%0.374SS..G310 helixtrans-51.2-30.1-178.172.3-177.1-162.1-159.25.3114.8R355 K360 Y361 E382R355-R358 WeakPolarHBondContact O-CB 3.48Å; R355-R358 PolarHBondContact O-N 3.36Å; R358-K360 PolarHBondContact O-N 2.94Å; R358-Y361 PolarHBondContact O-N 2.9Å; R358-E382 IonicContact CZ-OE1 3.81Å; R358-E382 IonicContact NE-OE1 2.81Å; R358-E382 PolarHBondContact NE-OE1 3.18Å; R358-E382 IonicContact NH2-OE1 2.64Å; R358-E382 PolarHBondContact NH2-OE1 3.13Å
359F71.5Confident77.3Confident123 Ų12366.6 Ų66.654%0.53936%0.363SS..G310 helixtrans-68.5-17.1-179.9-59.5-84.6000114.1D357 E382D357-F359 PolarHBondContact O-N 2.91Å; F359-E382 VanDerWaalsContact CE1-CD 3.41Å; F359-E382 WeakPolarHBondContact CE1-OE1 3.21Å; F359-E382 WeakPolarHBondContact CE1-OE2 3.37Å; F359-E382 WeakPolarHBondContact CZ-OE1 3.2Å
360K80.8Confident77.8Confident115 Ų11562 Ų6250%0.533%0.333SS..G310 helixtrans-80.7-20176.6-63.8-175.9180177.40112.5Y344 D357 R358 H362Y344-K360 WeakPolarHBondContact CB-O 3.49Å; Y344-K360 HydrophobicContact CD1-CB 4.34Å; Y344-K360 HydrophobicContact CD2-CB 4.24Å; Y344-K360 HydrophobicContact CG-CB 4.1Å; D357-K360 HydrophobicContact CB-CD 4.4Å; D357-K360 WeakPolarHBondContact O-CB 3.39Å; D357-K360 PolarHBondContact O-N 2.68Å; R358-K360 PolarHBondContact O-N 2.94Å; K360-H362 PolarHBondContact O-CE1 3.39Å; K360-H362 PolarHBondContact O-ND1 3.42Å
361Y84.9Confident78.8Confident35 Ų3561.3 Ų61.314%0.13733%0.326CS..  trans-82.8137.6-174.3-74.7-92.7000112.5Y344 W345 A346 L352 R355 R358Y344-Y361 HydrophobicContact CD1-CE2 4.49Å; Y344-Y361 CarbonylContact O-C 2.93Å; Y344-Y361 WeakPolarHBondContact O-CA 3.32Å; W345-Y361 VanDerWaalsContact O-CD1 3.32Å; W345-Y361 WeakPolarHBondContact O-CD1 3.34Å; A346-Y361 HydrophobicContact CB-CD1 4Å; A346-Y361 HydrophobicContact CB-CG 4.35Å; L352-Y361 HydrophobicContact CD2-CD2 4.41Å; L352-Y361 HydrophobicContact CD2-CE1 4.49Å; L352-Y361 HydrophobicContact CD2-CE2 4.28Å; R355-Y361 PolarHBondContact NH1-OH 2.83Å; R358-Y361 PolarHBondContact O-N 2.9Å
362H87.1Confident80.2Confident47 Ų4753.3 Ų53.322%0.21829%0.289CS..EExtended strand (participates in β ladder)trans-109.7136178.7-6183.1000109.7Y344 W345 A346 K360 C378Y344-H362 PolarHBondContact O-N 2.88Å; W345-H362 HydrophobicContact CE3-CB 4.24Å; W345-H362 HydrophobicContact CZ3-CB 4.28Å; A346-H362 PolarHBondContact N-O 3.15Å; K360-H362 PolarHBondContact O-CE1 3.39Å; K360-H362 PolarHBondContact O-ND1 3.42Å; H362-C378 HydrophobicContact CB-CB 4.07Å
363I89.2Confident81.5Confident3 Ų352.4 Ų52.42%0.01528%0.284CS..EExtended strand (participates in β ladder)trans-99.6122.1169.5-68.9176.2000107.6A346 H348 C378 S379 Y381 S384A346-I363 HydrophobicContact CB-CG1 4.21Å; H348-I363 HydrophobicContact CB-CD1 4.48Å; H348-I363 HydrophobicContact CB-CG2 4.15Å; I363-C378 CarbonylContact O-C 3.57Å; I363-C378 WeakPolarHBondContact O-CA 3.48Å; I363-C378 WeakPolarHBondContact O-CB 3.4Å; I363-S379 PolarHBondContact N-O 3.49Å; I363-S379 PolarHBondContact O-N 3.13Å; I363-Y381 HydrophobicContact CD1-CD2 3.59Å; I363-Y381 HydrophobicContact CD1-CE2 4.13Å; I363-Y381 HydrophobicContact CD1-CG 4.39Å; I363-Y381 HydrophobicContact CG1-CD2 4.26Å; I363-S384 VanDerWaalsContact CD1-OG 3.28Å; I363-S384 WeakPolarHBondContact CD1-OG 3.23Å
364V92.2Very high83.3Confident0 Ų048.4 Ų48.40%026%0.256CS..EExtended strand (participates in β ladder)trans-68.4132.1178.9179.50000109.4F309 I316 W345 I367 V376 A387F309-V364 HydrophobicContact CD1-CG1 4.39Å; F309-V364 HydrophobicContact CD2-CB 4.01Å; F309-V364 HydrophobicContact CD2-CG1 3.92Å; F309-V364 HydrophobicContact CD2-CG2 4.04Å; F309-V364 HydrophobicContact CE1-CB 4.35Å; F309-V364 HydrophobicContact CE1-CG1 4.36Å; F309-V364 HydrophobicContact CE2-CB 3.47Å; F309-V364 VanDerWaalsContact CE2-CB 3.47Å; F309-V364 HydrophobicContact CE2-CG1 3.89Å; F309-V364 HydrophobicContact CE2-CG2 3.6Å; F309-V364 HydrophobicContact CG-CG1 4.18Å; F309-V364 HydrophobicContact CZ-CB 3.67Å; F309-V364 HydrophobicContact CZ-CG1 4.12Å; F309-V364 HydrophobicContact CZ-CG2 4.28Å; I316-V364 HydrophobicContact CD1-CG1 4.48Å; I316-V364 HydrophobicContact CD1-CG2 3.78Å; I316-V364 HydrophobicContact CG1-CG2 3.94Å; W345-V364 HydrophobicContact CE3-CG2 3.69Å; W345-V364 HydrophobicContact CZ3-CG2 3.84Å; V364-I367 HydrophobicContact CG1-CG2 4.06Å; V364-V376 HydrophobicContact CG1-CG1 4.02Å; V364-V376 HydrophobicContact CG2-CG1 4.29Å; V364-A387 VanDerWaalsContact O-CB 3.26Å; V364-A387 WeakPolarHBondContact O-CB 3.37Å
365K91.4Very high85.1Confident77 Ų7743.6 Ų43.634%0.33522%0.217SC..EExtended strand (participates in β ladder)trans-100.2-52.3169.3-69.6-167.1176.5-165.50110.9Q298 L377 S385 A387 V388Q298-K365 PolarHBondContact NE2-O 2.98Å; K365-L377 HydrophobicContact CB-CB 4.2Å; K365-L377 WeakPolarHBondContact CB-O 3.45Å; K365-L377 PolarHBondContact N-O 3.35Å; K365-S385 WeakPolarHBondContact CE-OG 3.39Å; K365-S385 PolarHBondContact NZ-OG 2.93Å; K365-A387 WeakPolarHBondContact O-CA 3.12Å; K365-V388 PolarHBondContact O-N 3.43Å
366Q93.6Very high86.4Confident42 Ų4236.9 Ų36.920%0.19619%0.191CC..EExtended strand (participates in β ladder)trans-153.8140.1-178.2-167.6166.6-17.600111.9Q298 F368 V376 L377 F390Q298-Q366 VanDerWaalsContact OE1-CA 3.23Å; Q366-F368 HydrophobicContact CB-CE2 3.76Å; Q366-F368 HydrophobicContact CB-CZ 3.98Å; Q366-F368 HydrophobicContact CG-CD2 4.38Å; Q366-F368 HydrophobicContact CG-CE1 4.09Å; Q366-F368 HydrophobicContact CG-CE2 3.62Å; Q366-F368 HydrophobicContact CG-CZ 3.47Å; Q366-F368 VanDerWaalsContact CG-CZ 3.47Å; Q366-V376 WeakPolarHBondContact O-CA 3.35Å; Q366-L377 HydrophobicContact CB-CB 4.48Å; Q366-L377 PolarHBondContact N-O 3.08Å; Q366-L377 PolarHBondContact O-N 3.09Å; Q366-F390 HydrophobicContact CG-CE1 4.37Å; Q366-F390 HydrophobicContact CG-CZ 4.01Å
367I95.9Very high87.9Confident3 Ų332.8 Ų32.82%0.01515%0.154CC..EExtended strand (participates in β ladder)trans-99.8143.2173.162.8169.7000111.1Q298 A300 L307 F309 I316 V364 V376Q298-I367 HydrophobicContact CB-CD1 3.94Å; Q298-I367 HydrophobicContact CB-CG1 3.81Å; A300-I367 HydrophobicContact CB-CD1 3.99Å; A300-I367 HydrophobicContact CB-CG1 4.05Å; L307-I367 HydrophobicContact CB-CD1 3.82Å; F309-I367 HydrophobicContact CB-CD1 4.33Å; F309-I367 HydrophobicContact CB-CG2 4.43Å; I316-I367 HydrophobicContact CD1-CG2 4.01Å; I316-I367 HydrophobicContact CG1-CG2 4.33Å; I316-I367 HydrophobicContact CG2-CG2 4.47Å; V364-I367 HydrophobicContact CG1-CG2 4.06Å; I367-V376 HydrophobicContact CG2-CG2 4.19Å
368F95.1Very high88.6Confident18 Ų1831.2 Ų31.28%0.07915%0.148CC..EExtended strand (participates in β ladder)trans-138.3146174.5-53.2-94.2000109.6E38 V39 Q366 F375 L377E38-F368 HydrophobicContact CB-CE1 4.43Å; E38-F368 HydrophobicContact CG-CE1 3.97Å; V39-F368 HydrophobicContact CB-CB 4.42Å; V39-F368 HydrophobicContact CB-CD2 4.46Å; V39-F368 HydrophobicContact CB-CG 4.23Å; V39-F368 WeakPolarHBondContact O-CD1 3.14Å; Q366-F368 HydrophobicContact CB-CE2 3.76Å; Q366-F368 HydrophobicContact CB-CZ 3.98Å; Q366-F368 HydrophobicContact CG-CD2 4.38Å; Q366-F368 HydrophobicContact CG-CE1 4.09Å; Q366-F368 HydrophobicContact CG-CE2 3.62Å; Q366-F368 HydrophobicContact CG-CZ 3.47Å; Q366-F368 VanDerWaalsContact CG-CZ 3.47Å; F368-F375 HydrophobicContact CB-CB 4.23Å; F368-F375 PolarHBondContact N-O 2.94Å; F368-F375 PolarHBondContact O-N 3.01Å; F368-F375 VanDerWaalsContact O-O 3.11Å; F368-L377 HydrophobicContact CD2-CG 4.48Å; F368-L377 HydrophobicContact CE2-CD1 3.57Å; F368-L377 HydrophobicContact CE2-CG 3.71Å; F368-L377 HydrophobicContact CZ-CD1 3.98Å
369S93.3Very high89.4Confident22 Ų2228 Ų2815%0.15414%0.138CC..EExtended strand (participates in β ladder)trans-149.2147.3174.854.50000109.7A300 C301 G302 Q373A300-S369 VanDerWaalsContact CB-OG 3.22Å; A300-S369 WeakPolarHBondContact CB-OG 3.42Å; A300-S369 PolarHBondContact O-OG 2.99Å; C301-S369 PolarHBondContact N-OG 3.39Å; C301-S369 PolarHBondContact O-OG 2.65Å; G302-S369 PolarHBondContact N-OG 3.37Å; S369-Q373 WeakPolarHBondContact CA-O 3.22Å
370G87Confident89.7Confident10 Ų1029.3 Ų29.310%0.10314%0.144CC..EExtended strand (participates in β ladder)trans-178.1153.3171.800000110.1D372 Q373G370-D372 PolarHBondContact O-N 3.33Å; G370-Q373 PolarHBondContact N-O 2.84Å; G370-Q373 PolarHBondContact O-N 2.93Å; G370-Q373 VanDerWaalsContact O-N 3.15Å
371G88.1Confident89.2Confident11 Ų1126 Ų2611%0.11313%0.129CC..THydrogen-bonded Turntrans51-134.8-163.600000110.9R303R303-G371 VanDerWaalsContact CB-O 3.25Å; R303-G371 WeakPolarHBondContact CB-O 3.28Å; R303-G371 PolarHBondContact N-O 2.92Å
372D91.3Very high88.3Confident18 Ų1829.1 Ų29.110%0.09614%0.144CC..THydrogen-bonded Turntrans-100.632.2178-60-35.7000112.6G5 Y6 R303 R324 Q326 G370G5-D372 WeakPolarHBondContact CA-O 3.43Å; Y6-D372 PolarHBondContact N-O 3.24Å; R303-D372 IonicContact NH1-OD2 2.67Å; R324-D372 HydrophobicContact CB-CB 3.99Å; R324-D372 HydrophobicContact CG-CB 4.04Å; Q326-D372 WeakPolarHBondContact CB-O 3.37Å; G370-D372 PolarHBondContact O-N 3.33Å
373Q90.6Very high87.3Confident2 Ų233.7 Ų33.71%0.00917%0.17CC..EExtended strand (participates in β ladder)trans-133.3155-173.7-65.6167.767.100112.6Q11 P12 S46 S369 G370 F375Q11-Q373 VanDerWaalsContact C-OE1 3.23Å; Q11-Q373 VanDerWaalsContact CB-CD 3.4Å; Q11-Q373 PolarHBondContact O-OE1 3.21Å; P12-Q373 HydrophobicContact CG-CG 4.25Å; S46-Q373 PolarHBondContact OG-OE1 2.96Å; S369-Q373 WeakPolarHBondContact CA-O 3.22Å; G370-Q373 PolarHBondContact N-O 2.84Å; G370-Q373 PolarHBondContact O-N 2.93Å; G370-Q373 VanDerWaalsContact O-N 3.15Å; Q373-F375 HydrophobicContact CB-CE2 3.8Å; Q373-F375 HydrophobicContact CB-CZ 4.33Å
374T93.7Very high86.3Confident0 Ų035.2 Ų35.20%018%0.181CC..EExtended strand (participates in β ladder)trans-137.1138.2177.5-62.80000110.4C3 W4 H305 L307 Q326C3-T374 VanDerWaalsContact CA-O 3.29Å; C3-T374 WeakPolarHBondContact CA-O 3.42Å; W4-T374 HydrophobicContact CD2-CG2 4.09Å; W4-T374 VanDerWaalsContact CE2-CB 3.49Å; W4-T374 HydrophobicContact CE3-CG2 4.39Å; W4-T374 HydrophobicContact CH2-CG2 3.56Å; W4-T374 HydrophobicContact CZ2-CG2 3.13Å; W4-T374 HydrophobicContact CZ3-CG2 4.15Å; W4-T374 PolarHBondContact N-O 3.16Å; W4-T374 VanDerWaalsContact N-O 3.08Å; W4-T374 PolarHBondContact O-N 3.02Å; H305-T374 PolarHBondContact NE2-OG1 3.2Å; L307-T374 HydrophobicContact CD1-CG2 3.23Å; L307-T374 HydrophobicContact CD2-CG2 4.43Å; L307-T374 HydrophobicContact CG-CG2 4.43Å; Q326-T374 PolarHBondContact O-OG1 3.25Å
375F93.2Very high85.8Confident0 Ų037.4 Ų37.40%020%0.197CC..EExtended strand (participates in β ladder)trans-129.8142178.9-58.1-91.8000110.5M1 L2 C3 P12 V39 C41 F48 F368 Q373M1-F375 HydrophobicContact CE-CD1 3.75Å; M1-F375 HydrophobicContact CE-CE1 4.23Å; M1-F375 HydrophobicContact SD-CD1 4.26Å; L2-F375 WeakPolarHBondContact O-CA 3.45Å; C3-F375 HydrophobicContact CB-CD1 3.38Å; C3-F375 HydrophobicContact CB-CE1 3.61Å; C3-F375 HydrophobicContact CB-CG 4.27Å; P12-F375 HydrophobicContact CB-CE1 4.04Å; P12-F375 HydrophobicContact CB-CZ 4.08Å; V39-F375 HydrophobicContact CB-CG 4.5Å; V39-F375 HydrophobicContact CG1-CB 4.46Å; V39-F375 HydrophobicContact CG1-CD1 4.31Å; V39-F375 HydrophobicContact CG1-CD2 3.84Å; V39-F375 HydrophobicContact CG1-CE2 4.13Å; V39-F375 HydrophobicContact CG1-CG 3.94Å; V39-F375 HydrophobicContact CG1-CZ 4.44Å; V39-F375 HydrophobicContact CG2-CB 4.45Å; C41-F375 VanDerWaalsContact SG-CD2 3.53Å; C41-F375 WeakPolarHBondContact SG-CE2 3.34Å; F48-F375 HydrophobicContact CE1-CD1 4.36Å; F48-F375 AromaticContact CE1-CE1 3.97Å; F48-F375 HydrophobicContact CE1-CE1 3.97Å; F48-F375 HydrophobicContact CZ-CE1 4.2Å; F368-F375 HydrophobicContact CB-CB 4.23Å; F368-F375 PolarHBondContact N-O 2.94Å; F368-F375 PolarHBondContact O-N 3.01Å; F368-F375 VanDerWaalsContact O-O 3.11Å; Q373-F375 HydrophobicContact CB-CE2 3.8Å; Q373-F375 HydrophobicContact CB-CZ 4.33Å
376V93.4Very high85.4Confident0 Ų038 Ų380%021%0.208CC..EExtended strand (participates in β ladder)trans-133.2119.5176.8-1790000109.7M1 L2 W4 I316 W345 V364 Q366 I367M1-V376 CarbonylContact C-O 3.35Å; M1-V376 VanDerWaalsContact CA-O 3.29Å; M1-V376 WeakPolarHBondContact CA-O 3.29Å; M1-V376 WeakPolarHBondContact CG-O 3.37Å; L2-V376 PolarHBondContact N-O 3.26Å; L2-V376 PolarHBondContact O-N 3.4Å; W4-V376 HydrophobicContact CH2-CB 4.5Å; W4-V376 HydrophobicContact CH2-CG2 3.38Å; W4-V376 HydrophobicContact CZ3-CB 4.29Å; W4-V376 HydrophobicContact CZ3-CG2 3.58Å; I316-V376 HydrophobicContact CD1-CB 4.48Å; I316-V376 HydrophobicContact CD1-CG1 3.94Å; I316-V376 HydrophobicContact CD1-CG2 3.74Å; W345-V376 HydrophobicContact CH2-CG1 4.32Å; W345-V376 HydrophobicContact CZ3-CG1 4.18Å; V364-V376 HydrophobicContact CG1-CG1 4.02Å; V364-V376 HydrophobicContact CG2-CG1 4.29Å; Q366-V376 WeakPolarHBondContact O-CA 3.35Å; I367-V376 HydrophobicContact CG2-CG2 4.19Å
377L91.3Very high85.2Confident19 Ų1937.2 Ų37.210%0.09921%0.209CC..EExtended strand (participates in β ladder)trans-77.9127.8166.2-64.2179.4000108.3M1 V36 K37 K365 Q366 F368M1-L377 HydrophobicContact CB-CD2 4.03Å; M1-L377 HydrophobicContact CG-CD2 3.88Å; M1-L377 HydrophobicContact SD-CD2 3.86Å; V36-L377 HydrophobicContact CB-CD2 3.92Å; V36-L377 HydrophobicContact CG1-CD2 4.03Å; V36-L377 WeakPolarHBondContact O-CD1 3.04Å; K37-L377 WeakPolarHBondContact O-CD1 3.23Å; K365-L377 HydrophobicContact CB-CB 4.2Å; K365-L377 WeakPolarHBondContact CB-O 3.45Å; K365-L377 PolarHBondContact N-O 3.35Å; Q366-L377 HydrophobicContact CB-CB 4.48Å; Q366-L377 PolarHBondContact N-O 3.08Å; Q366-L377 PolarHBondContact O-N 3.09Å; F368-L377 HydrophobicContact CD2-CG 4.48Å; F368-L377 HydrophobicContact CE2-CD1 3.57Å; F368-L377 HydrophobicContact CE2-CG 3.71Å; F368-L377 HydrophobicContact CZ-CD1 3.98Å
378C88.6Confident85Confident26 Ų2640.2 Ų40.218%0.17623%0.227CC..EExtended strand (participates in β ladder)trans-145.3146.4-177.360.70000110.7H362 I363H362-C378 HydrophobicContact CB-CB 4.07Å; I363-C378 CarbonylContact O-C 3.57Å; I363-C378 WeakPolarHBondContact O-CA 3.48Å; I363-C378 WeakPolarHBondContact O-CB 3.4Å
379S84.6Confident84.9Confident16 Ų1641.1 Ų41.111%0.11223%0.233CC..EExtended strand (participates in β ladder)trans-105.1154.8168.846.20000110.9I363I363-S379 PolarHBondContact N-O 3.49Å; I363-S379 PolarHBondContact O-N 3.13Å
380K78.9Confident84.9Confident151 Ų15141.3 Ų41.366%0.65723%0.231SC*.EExtended strand (participates in β ladder)trans-64.2151.1164.4-66-173.6179.2179.20109.8E382 N383K380-E382 PolarHBondContact O-N 3.14Å; K380-E382 VanDerWaalsContact O-N 3.16Å; K380-N383 PolarHBondContact O-N 3.1Å
381Y70.6Confident85.2Confident47 Ų4742.8 Ų42.818%0.18423%0.234CC..G310 helixtrans-52.8-38.8-177.3-173-97.7000113.6A346 G350 L352 I363 N383 S384A346-Y381 HydrophobicContact CB-CD2 4.46Å; G350-Y381 PolarHBondContact O-OH 2.81Å; L352-Y381 HydrophobicContact CB-CD2 4.42Å; L352-Y381 HydrophobicContact CB-CE1 4.25Å; L352-Y381 HydrophobicContact CB-CE2 3.85Å; L352-Y381 HydrophobicContact CD1-CD2 3.99Å; L352-Y381 HydrophobicContact CD1-CE2 3.68Å; L352-Y381 HydrophobicContact CG-CE2 4.37Å; L352-Y381 PolarHBondContact N-OH 3.13Å; I363-Y381 HydrophobicContact CD1-CD2 3.59Å; I363-Y381 HydrophobicContact CD1-CE2 4.13Å; I363-Y381 HydrophobicContact CD1-CG 4.39Å; I363-Y381 HydrophobicContact CG1-CD2 4.26Å; Y381-N383 VanDerWaalsContact C-N 3.33Å; Y381-N383 PolarHBondContact O-N 3.47Å; Y381-S384 PolarHBondContact O-OG 2.77Å
382E64.8Low85.1Confident99 Ų9947 Ų4746%0.46326%0.257SS..G310 helixtrans-69.1-23.1-173.7-59.3-175.414800114.6R358 F359 K380R358-E382 IonicContact CZ-OE1 3.81Å; R358-E382 IonicContact NE-OE1 2.81Å; R358-E382 PolarHBondContact NE-OE1 3.18Å; R358-E382 IonicContact NH2-OE1 2.64Å; R358-E382 PolarHBondContact NH2-OE1 3.13Å; F359-E382 VanDerWaalsContact CE1-CD 3.41Å; F359-E382 WeakPolarHBondContact CE1-OE1 3.21Å; F359-E382 WeakPolarHBondContact CE1-OE2 3.37Å; F359-E382 WeakPolarHBondContact CZ-OE1 3.2Å; K380-E382 PolarHBondContact O-N 3.14Å; K380-E382 VanDerWaalsContact O-N 3.16Å
383N66.7Low84.3Confident143 Ų14349.4 Ų49.477%0.76527%0.269SS*.G310 helixtrans-126.544.5-178.3-72-12.5000111.2K380 Y381K380-N383 PolarHBondContact O-N 3.1Å; Y381-N383 VanDerWaalsContact C-N 3.33Å; Y381-N383 PolarHBondContact O-N 3.47Å
384S68.9Low83.6Confident36 Ų3654 Ų5425%0.25229%0.293SS..  trans-88.1136.7-169.965.60000114.2H348 I363 Y381H348-S384 PolarHBondContact CE1-O 3.24Å; H348-S384 PolarHBondContact CE1-OG 3.17Å; H348-S384 PolarHBondContact ND1-OG 2.91Å; I363-S384 VanDerWaalsContact CD1-OG 3.28Å; I363-S384 WeakPolarHBondContact CD1-OG 3.23Å; Y381-S384 PolarHBondContact O-OG 2.77Å
385S79.8Confident82.3Confident46 Ų4659 Ų5932%0.32232%0.316SS..  trans-105.8156.3164.363.80000108.8K365K365-S385 WeakPolarHBondContact CE-OG 3.39Å; K365-S385 PolarHBondContact NZ-OG 2.93Å
386P85.1Confident81.3Confident89 Ų8961.9 Ų61.958%0.57834%0.341SS*.PPolyproline II helixtrans-59.8152.6172.225.9-34.5000111.2
387A88.5Confident80.7Confident25 Ų2564.6 Ų64.621%0.20735%0.353CS..PPolyproline II helixtrans-66.6152.8173.100000110.9F309 V364 K365 D389F309-A387 HydrophobicContact CD1-CB 4.31Å; F309-A387 HydrophobicContact CE1-CB 3.51Å; F309-A387 HydrophobicContact CZ-CB 4.23Å; V364-A387 VanDerWaalsContact O-CB 3.26Å; V364-A387 WeakPolarHBondContact O-CB 3.37Å; K365-A387 WeakPolarHBondContact O-CA 3.12Å; A387-D389 PolarHBondContact O-N 3.22Å
388V90.8Very high80.6Confident66 Ų6664.3 Ų64.340%0.435%0.351SS..PPolyproline II helixtrans-62.7135.6171.6-174.90000108.9Q298 K365 F390Q298-V388 WeakPolarHBondContact CG-O 3.27Å; Q298-V388 PolarHBondContact NE2-O 3.27Å; K365-V388 PolarHBondContact O-N 3.43Å; V388-F390 HydrophobicContact CB-CE1 4.17Å; V388-F390 HydrophobicContact CG1-CD1 3.84Å; V388-F390 HydrophobicContact CG1-CE1 3.75Å
389D93.4Very high80.7Confident38 Ų3863.1 Ų63.120%0.20334%0.342CS..  trans-106.7106.1175.9-167.1-20.3000109.7T297 A387 R391 T392T297-D389 WeakPolarHBondContact CB-OD1 3.48Å; A387-D389 PolarHBondContact O-N 3.22Å; D389-R391 PolarHBondContact O-N 3.04Å; D389-R391 VanDerWaalsContact O-N 3.14Å; D389-R391 WeakPolarHBondContact OD1-CB 3.45Å; D389-R391 VanDerWaalsContact OD1-CG 3.23Å; D389-R391 WeakPolarHBondContact OD1-CG 3.5Å; D389-R391 IonicContact OD1-CZ 2.75Å; D389-R391 PolarHBondContact OD1-N 2.91Å; D389-R391 IonicContact OD1-NE 2.75Å; D389-R391 PolarHBondContact OD1-NE 2.95Å; D389-R391 IonicContact OD2-CZ 3.26Å; D389-R391 IonicContact OD2-NE 2.67Å; D389-R391 PolarHBondContact OD2-NE 2.81Å; D389-R391 VanDerWaalsContact OD2-NE 3.15Å; D389-R391 IonicContact OD2-NH2 3.23Å; D389-R391 PolarHBondContact OD2-NH2 3.19Å; D389-T392 HydrophobicContact CB-CG2 4.41Å; D389-T392 PolarHBondContact O-N 2.86Å; D389-T392 PolarHBondContact O-OG1 2.89Å
390F93.8Very high81.1Confident25 Ų2563.6 Ų63.611%0.1135%0.346CS..THydrogen-bonded Turntrans-69.4-7.6179.4-60.3-15.1000112.6Y246 L257 T297 Q298 Q366 V388 T392Y246-F390 HydrophobicContact CD1-CB 4.39Å; Y246-F390 AromaticContact CD1-CD2 3.98Å; Y246-F390 HydrophobicContact CD1-CD2 3.98Å; Y246-F390 HydrophobicContact CD2-CB 3.9Å; Y246-F390 HydrophobicContact CD2-CD2 4.24Å; Y246-F390 HydrophobicContact CD2-CG 4.2Å; Y246-F390 AromaticContact CE1-CD2 3.65Å; Y246-F390 HydrophobicContact CE1-CD2 3.65Å; Y246-F390 HydrophobicContact CE1-CE2 4.08Å; Y246-F390 HydrophobicContact CE2-CB 4.34Å; Y246-F390 AromaticContact CE2-CD2 3.94Å; Y246-F390 HydrophobicContact CE2-CD2 3.94Å; Y246-F390 HydrophobicContact CE2-CE2 4.43Å; Y246-F390 HydrophobicContact CE2-CG 4.12Å; Y246-F390 HydrophobicContact CG-CB 3.93Å; Y246-F390 HydrophobicContact CG-CD2 4.25Å; Y246-F390 HydrophobicContact CG-CG 4.43Å; Y246-F390 AromaticContact CZ-CD2 3.64Å; Y246-F390 AromaticContact CZ-CE2 3.87Å; L257-F390 HydrophobicContact CD2-CB 4.19Å; T297-F390 VanDerWaalsContact O-CB 3.3Å; T297-F390 WeakPolarHBondContact O-CB 3.38Å; T297-F390 PolarHBondContact O-N 3.35Å; Q298-F390 HydrophobicContact CB-CD2 3.82Å; Q298-F390 HydrophobicContact CB-CE2 3.72Å; Q298-F390 HydrophobicContact CB-CG 4.43Å; Q298-F390 HydrophobicContact CB-CZ 4.26Å; Q298-F390 HydrophobicContact CG-CD1 4.29Å; Q298-F390 HydrophobicContact CG-CD2 4.04Å; Q298-F390 HydrophobicContact CG-CE1 4.23Å; Q298-F390 HydrophobicContact CG-CE2 3.99Å; Q298-F390 HydrophobicContact CG-CG 4.18Å; Q298-F390 HydrophobicContact CG-CZ 4.08Å; Q366-F390 HydrophobicContact CG-CE1 4.37Å; Q366-F390 HydrophobicContact CG-CZ 4.01Å; V388-F390 HydrophobicContact CB-CE1 4.17Å; V388-F390 HydrophobicContact CG1-CD1 3.84Å; V388-F390 HydrophobicContact CG1-CE1 3.75Å; F390-T392 VanDerWaalsContact C-N 3.25Å
391R92.3Very high81.7Confident42 Ų4257.1 Ų57.116%0.15832%0.318CS..THydrogen-bonded Turntrans-75.7-18169.6-51.9174.1-62176.1-0.2112.3V245 L257 K259 E295 V296 D389V245-R391 HydrophobicContact CG2-CB 4.18Å; V245-R391 HydrophobicContact CG2-CG 4.35Å; L257-R391 HydrophobicContact CD2-CG 3.91Å; L257-R391 HydrophobicContact CG-CG 4.27Å; K259-R391 WeakPolarHBondContact O-CD 3.21Å; E295-R391 IonicContact OE2-CZ 3.94Å; E295-R391 IonicContact OE2-NH1 2.69Å; E295-R391 PolarHBondContact OE2-NH1 3.31Å; E295-R391 IonicContact OE2-NH2 2.7Å; V296-R391 WeakPolarHBondContact O-CD 3.42Å; D389-R391 PolarHBondContact O-N 3.04Å; D389-R391 VanDerWaalsContact O-N 3.14Å; D389-R391 WeakPolarHBondContact OD1-CB 3.45Å; D389-R391 VanDerWaalsContact OD1-CG 3.23Å; D389-R391 WeakPolarHBondContact OD1-CG 3.5Å; D389-R391 IonicContact OD1-CZ 2.75Å; D389-R391 PolarHBondContact OD1-N 2.91Å; D389-R391 IonicContact OD1-NE 2.75Å; D389-R391 PolarHBondContact OD1-NE 2.95Å; D389-R391 IonicContact OD2-CZ 3.26Å; D389-R391 IonicContact OD2-NE 2.67Å; D389-R391 PolarHBondContact OD2-NE 2.81Å; D389-R391 VanDerWaalsContact OD2-NE 3.15Å; D389-R391 IonicContact OD2-NH2 3.23Å; D389-R391 PolarHBondContact OD2-NH2 3.19Å
392T87.1Confident82.7Confident98 Ų9855 Ų5560%0.60131%0.31SS*.SBendtrans-97.8120.9173.8620000110D389 F390D389-T392 HydrophobicContact CB-CG2 4.41Å; D389-T392 PolarHBondContact O-N 2.86Å; D389-T392 PolarHBondContact O-OG1 2.89Å; F390-T392 VanDerWaalsContact C-N 3.25Å
393M75.4Confident83.9Confident70 Ų7052.3 Ų52.335%0.34530%0.299SS..PPolyproline II helixtrans-80.1126.4-177.5-61.7-160.577.900111.1A193 L207 Y398A193-M393 HydrophobicContact CB-CE 3.2Å; A193-M393 HydrophobicContact CB-SD 4.3Å; L207-M393 HydrophobicContact CD2-CE 3.88Å; L207-M393 HydrophobicContact CD2-SD 3.85Å; M393-Y398 HydrophobicContact CB-CD1 4.11Å; M393-Y398 HydrophobicContact CB-CE1 3.88Å; M393-Y398 HydrophobicContact CE-CD1 3.98Å
394N73.9Confident84.8Confident97 Ų9749.6 Ų49.652%0.51928%0.284SS..PPolyproline II helixtrans-81.4121.2173.4-176-6.9000110.5A396 H397 Y398N394-A396 PolarHBondContact O-N 2.81Å; N394-A396 VanDerWaalsContact O-N 3.17Å; N394-A396 PolarHBondContact OD1-N 3.36Å; N394-H397 PolarHBondContact ND2-CD2 3.34Å; N394-H397 PolarHBondContact O-N 2.9Å; N394-Y398 WeakPolarHBondContact O-CD1 3.33Å
395Q68.3Low85.7Confident105 Ų10554.5 Ų54.549%0.49130%0.303SS..THydrogen-bonded Turntrans-63.7-22-174.8-44.8-160.3-5.100114.6H397 Y398Q395-H397 PolarHBondContact O-N 3.39Å; Q395-Y398 VanDerWaalsContact CA-CE1 3.47Å; Q395-Y398 VanDerWaalsContact CA-CZ 3.4Å; Q395-Y398 HydrophobicContact CB-CE1 4.23Å; Q395-Y398 HydrophobicContact CB-CE2 4.23Å; Q395-Y398 WeakPolarHBondContact CB-OH 3.48Å; Q395-Y398 HydrophobicContact CG-CE1 4.33Å; Q395-Y398 WeakPolarHBondContact CG-OH 3.41Å
396A71.3Confident86Confident62 Ų6254 Ų5451%0.51230%0.299SS..THydrogen-bonded Turntrans-71.5-15.7-179.600000113.9N394N394-A396 PolarHBondContact O-N 2.81Å; N394-A396 VanDerWaalsContact O-N 3.17Å; N394-A396 PolarHBondContact OD1-N 3.36Å
397H80.5Confident86.1Confident56 Ų5650.2 Ų50.226%0.25927%0.274SS..THydrogen-bonded Turntrans-112.1-12.8-169.9-64.3-75.4000114.2Q141 N394 Q395Q141-H397 VanDerWaalsContact CD-O 3.25Å; Q141-H397 HydrophobicContact CG-CB 4.06Å; Q141-H397 WeakPolarHBondContact CG-O 3.37Å; Q141-H397 PolarHBondContact NE2-O 3.02Å; N394-H397 PolarHBondContact ND2-CD2 3.34Å; N394-H397 PolarHBondContact O-N 2.9Å; Q395-H397 PolarHBondContact O-N 3.39Å
398Y89.1Confident86Confident14 Ų1451.7 Ų51.76%0.05529%0.285CS..SBendtrans-103.2173.4-179.757.2-124.3000112.2L140 L207 M393 N394 Q395 S400 L401L140-Y398 WeakPolarHBondContact CD1-O 3.47Å; L207-Y398 HydrophobicContact CD2-CD1 3.93Å; L207-Y398 HydrophobicContact CD2-CD2 4.21Å; L207-Y398 HydrophobicContact CD2-CE1 4.3Å; L207-Y398 HydrophobicContact CD2-CG 3.83Å; M393-Y398 HydrophobicContact CB-CD1 4.11Å; M393-Y398 HydrophobicContact CB-CE1 3.88Å; M393-Y398 HydrophobicContact CE-CD1 3.98Å; N394-Y398 WeakPolarHBondContact O-CD1 3.33Å; Q395-Y398 VanDerWaalsContact CA-CE1 3.47Å; Q395-Y398 VanDerWaalsContact CA-CZ 3.4Å; Q395-Y398 HydrophobicContact CB-CE1 4.23Å; Q395-Y398 HydrophobicContact CB-CE2 4.23Å; Q395-Y398 WeakPolarHBondContact CB-OH 3.48Å; Q395-Y398 HydrophobicContact CG-CE1 4.33Å; Q395-Y398 WeakPolarHBondContact CG-OH 3.41Å; Y398-S400 PolarHBondContact O-N 2.9Å; Y398-L401 HydrophobicContact CD2-CG 4.42Å; Y398-L401 HydrophobicContact CE2-CD1 3.6Å; Y398-L401 HydrophobicContact CE2-CD2 4.46Å; Y398-L401 HydrophobicContact CE2-CG 3.69Å
399T91.1Very high85.8Confident0 Ų051.6 Ų51.60%029%0.285CS..SBendtrans-44.5125.1175.2-56.80000112.1L192 L401 A434L192-T399 PolarHBondContact N-OG1 3.49Å; L192-T399 PolarHBondContact O-N 3.3Å; L192-T399 PolarHBondContact O-OG1 2.75Å; T399-L401 WeakPolarHBondContact O-CD2 3.29Å; T399-L401 PolarHBondContact O-N 2.85Å; T399-A434 HydrophobicContact CG2-CB 4.03Å
400S92.1Very high85.4Confident27 Ų2750.8 Ų50.819%0.18928%0.279CS..  trans-58.6132.2-173-58.40000111.3A154 Y398 C435A154-S400 WeakPolarHBondContact O-CB 3.29Å; A154-S400 PolarHBondContact O-N 2.78Å; A154-S400 PolarHBondContact O-OG 3.21Å; Y398-S400 PolarHBondContact O-N 2.9Å; S400-C435 WeakPolarHBondContact O-CA 3.44Å; S400-C435 VanDerWaalsContact O-CB 3.27Å; S400-C435 WeakPolarHBondContact O-CB 3.49Å; S400-C435 PolarHBondContact O-SG 3.45Å
401L92Very high85Confident14 Ų1454 Ų547%0.07329%0.291CS..  trans-98.4150.1178.2-55.6-177.5000110L207 Y398 T399 T406 G438L207-L401 HydrophobicContact CD1-CD2 3.76Å; Y398-L401 HydrophobicContact CD2-CG 4.42Å; Y398-L401 HydrophobicContact CE2-CD1 3.6Å; Y398-L401 HydrophobicContact CE2-CD2 4.46Å; Y398-L401 HydrophobicContact CE2-CG 3.69Å; T399-L401 WeakPolarHBondContact O-CD2 3.29Å; T399-L401 PolarHBondContact O-N 2.85Å; L401-T406 VanDerWaalsContact O-CG2 3.25Å; L401-T406 WeakPolarHBondContact O-CG2 3.14Å; L401-T406 PolarHBondContact O-OG1 2.76Å; L401-G438 VanDerWaalsContact CD2-O 3.31Å; L401-G438 WeakPolarHBondContact CD2-O 3.4Å
402I91.7Very high84.5Confident3 Ų357.2 Ų57.22%0.01531%0.307CS..  trans-104.2102.5178.3-51.2176.4000107I407 W410 I429 L430 C435 W436 S439 L466I402-I407 HydrophobicContact CG2-CD1 4.43Å; I402-I407 HydrophobicContact CG2-CG1 4.45Å; I402-W410 HydrophobicContact CG1-CH2 4.14Å; I402-W410 HydrophobicContact CG2-CH2 4.47Å; I402-W410 HydrophobicContact CG2-CZ3 4.24Å; I402-I429 HydrophobicContact CG1-CG2 4.27Å; I402-L430 HydrophobicContact CD1-CD2 4.13Å; I402-C435 HydrophobicContact CD1-CB 4.31Å; I402-C435 HydrophobicContact CG1-CB 4.45Å; I402-W436 HydrophobicContact CD1-CD2 3.54Å; I402-W436 VanDerWaalsContact CD1-CE2 3.48Å; I402-W436 HydrophobicContact CD1-CE3 3.77Å; I402-W436 HydrophobicContact CD1-CG 4.09Å; I402-W436 HydrophobicContact CD1-CH2 4Å; I402-W436 HydrophobicContact CD1-CZ2 3.74Å; I402-W436 HydrophobicContact CD1-CZ3 4.01Å; I402-W436 HydrophobicContact CG2-CH2 4.43Å; I402-W436 HydrophobicContact CG2-CZ3 4.34Å; I402-S439 WeakPolarHBondContact CB-OG 2.94Å; I402-S439 PolarHBondContact N-OG 3.18Å; I402-S439 WeakPolarHBondContact O-CB 3.43Å; I402-L466 HydrophobicContact CG2-CD2 4.15Å
403N89.4Confident84.1Confident42 Ų4257.5 Ų57.523%0.22530%0.3CS..SBendtrans-137.8178.7178.464.237.6000110.9E405 T406 I407N403-E405 PolarHBondContact O-N 2.73Å; N403-E405 WeakPolarHBondContact OD1-CA 3.44Å; N403-E405 WeakPolarHBondContact OD1-CB 3.42Å; N403-E405 PolarHBondContact OD1-N 2.82Å; N403-T406 PolarHBondContact N-OG1 2.88Å; N403-T406 PolarHBondContact O-N 2.88Å; N403-T406 PolarHBondContact O-OG1 3.1Å; N403-T406 PolarHBondContact OD1-N 2.85Å; N403-T406 PolarHBondContact OD1-OG1 3.01Å; N403-I407 WeakPolarHBondContact O-CD1 3.45Å; N403-I407 VanDerWaalsContact O-CG1 3.28Å; N403-I407 WeakPolarHBondContact O-CG1 3.5Å; N403-I407 PolarHBondContact O-N 3.11Å
404D86.3Confident84.1Confident86 Ų8655.8 Ų55.846%0.4629%0.292SS..Hα-helixtrans-57.3-36.4-178.6-72-38.3000112.3A408 K469D404-A408 WeakPolarHBondContact O-CB 3.47Å; D404-A408 PolarHBondContact O-N 3.34Å; D404-K469 VanDerWaalsContact CG-NZ 3.31Å; D404-K469 IonicContact OD1-NZ 3.71Å; D404-K469 PolarHBondContact OD1-NZ 3.18Å; D404-K469 VanDerWaalsContact OD1-NZ 3.1Å; D404-K469 IonicContact OD2-NZ 2.64Å; D404-K469 PolarHBondContact OD2-NZ 3.48Å
405E87Confident84.1Confident139 Ų13955.8 Ų55.865%0.6530%0.3SS*.Hα-helixtrans-69.2-47-180-59.6175.1-178.900111.3N403 I407 A408 V409N403-E405 PolarHBondContact O-N 2.73Å; N403-E405 WeakPolarHBondContact OD1-CA 3.44Å; N403-E405 WeakPolarHBondContact OD1-CB 3.42Å; N403-E405 PolarHBondContact OD1-N 2.82Å; E405-I407 VanDerWaalsContact C-N 3.32Å; E405-I407 PolarHBondContact O-N 2.66Å; E405-A408 PolarHBondContact O-N 3.04Å; E405-V409 WeakPolarHBondContact O-CG2 3.49Å; E405-V409 PolarHBondContact O-N 3.32Å
406T87.7Confident84Confident37 Ų3756.3 Ų56.323%0.22730%0.302CS..Hα-helixtrans-65.3-37.2178.254.90000112.1L401 N403 V409 W410L401-T406 VanDerWaalsContact O-CG2 3.25Å; L401-T406 WeakPolarHBondContact O-CG2 3.14Å; L401-T406 PolarHBondContact O-OG1 2.76Å; N403-T406 PolarHBondContact N-OG1 2.88Å; N403-T406 PolarHBondContact O-N 2.88Å; N403-T406 PolarHBondContact O-OG1 3.1Å; N403-T406 PolarHBondContact OD1-N 2.85Å; N403-T406 PolarHBondContact OD1-OG1 3.01Å; T406-V409 PolarHBondContact O-N 3.3Å; T406-W410 PolarHBondContact O-N 3.41Å
407I87.4Confident83.3Confident9 Ų958.7 Ų58.75%0.04630%0.302CS..Hα-helixtrans-65-41.5176.2-68.7163.9000110.4I402 N403 E405 W410 R411 L466 L470 I478I402-I407 HydrophobicContact CG2-CD1 4.43Å; I402-I407 HydrophobicContact CG2-CG1 4.45Å; N403-I407 WeakPolarHBondContact O-CD1 3.45Å; N403-I407 VanDerWaalsContact O-CG1 3.28Å; N403-I407 WeakPolarHBondContact O-CG1 3.5Å; N403-I407 PolarHBondContact O-N 3.11Å; E405-I407 VanDerWaalsContact C-N 3.32Å; E405-I407 PolarHBondContact O-N 2.66Å; I407-W410 PolarHBondContact O-N 2.99Å; I407-R411 VanDerWaalsContact O-CB 3.31Å; I407-R411 WeakPolarHBondContact O-CB 3.45Å; I407-R411 PolarHBondContact O-N 3.32Å; I407-L466 HydrophobicContact CD1-CD1 3.63Å; I407-L466 HydrophobicContact CD1-CD2 4.26Å; I407-L466 HydrophobicContact CD1-CG 4.14Å; I407-L470 HydrophobicContact CD1-CD1 4.47Å; I407-L470 HydrophobicContact CD1-CD2 3.94Å; I407-L470 HydrophobicContact CD1-CG 4.35Å; I407-L470 HydrophobicContact CG1-CD2 4.49Å; I407-L470 HydrophobicContact CG2-CD2 4.26Å; I407-I478 HydrophobicContact CG2-CD1 3.96Å
408A86.5Confident82.2Confident55 Ų5562.9 Ų62.946%0.45533%0.327SS..Hα-helixtrans-61.8-43.417600000111.8D404 E405 R411 Q412D404-A408 WeakPolarHBondContact O-CB 3.47Å; D404-A408 PolarHBondContact O-N 3.34Å; E405-A408 PolarHBondContact O-N 3.04Å; A408-R411 PolarHBondContact O-N 2.93Å; A408-Q412 PolarHBondContact O-N 2.88Å
409V85.7Confident80.9Confident65 Ų6566.7 Ų66.739%0.39435%0.348SS..Hα-helixtrans-62.8-45.2176.1172.20000111.4E405 T406 R411 Q412 K413E405-V409 WeakPolarHBondContact O-CG2 3.49Å; E405-V409 PolarHBondContact O-N 3.32Å; T406-V409 PolarHBondContact O-N 3.3Å; V409-R411 VanDerWaalsContact C-N 3.34Å; V409-R411 PolarHBondContact O-N 3.09Å; V409-Q412 PolarHBondContact O-N 3.45Å; V409-K413 HydrophobicContact CG1-CD 4.03Å; V409-K413 HydrophobicContact CG1-CG 4.46Å; V409-K413 WeakPolarHBondContact O-CB 3.49Å; V409-K413 WeakPolarHBondContact O-CG 3.26Å; V409-K413 PolarHBondContact O-N 2.85Å
410W85.7Confident79.7Confident20 Ų2069.7 Ų69.78%0.07637%0.373CS..Hα-helixtrans-65-39.4177.6-63.5-20.3000112.1I402 T406 I407 Q412 K413 L414 V426 I429 L430 I478I402-W410 HydrophobicContact CG1-CH2 4.14Å; I402-W410 HydrophobicContact CG2-CH2 4.47Å; I402-W410 HydrophobicContact CG2-CZ3 4.24Å; T406-W410 PolarHBondContact O-N 3.41Å; I407-W410 PolarHBondContact O-N 2.99Å; W410-Q412 PolarHBondContact O-N 2.92Å; W410-K413 PolarHBondContact O-N 2.86Å; W410-L414 VanDerWaalsContact O-CB 3.27Å; W410-L414 WeakPolarHBondContact O-CB 3.42Å; W410-L414 WeakPolarHBondContact O-CD1 3.39Å; W410-L414 WeakPolarHBondContact O-CG 3.41Å; W410-L414 PolarHBondContact O-N 2.96Å; W410-V426 HydrophobicContact CB-CG2 4.25Å; W410-V426 HydrophobicContact CD2-CG1 3.95Å; W410-V426 HydrophobicContact CD2-CG2 4.15Å; W410-V426 HydrophobicContact CE3-CG1 4.02Å; W410-V426 HydrophobicContact CG-CG1 4.22Å; W410-V426 HydrophobicContact CG-CG2 3.76Å; W410-I429 HydrophobicContact CH2-CB 4.33Å; W410-I429 HydrophobicContact CH2-CG2 3.69Å; W410-I429 HydrophobicContact CZ2-CB 4.22Å; W410-I429 HydrophobicContact CZ2-CD1 3.87Å; W410-I429 HydrophobicContact CZ2-CG2 3.82Å; W410-L430 HydrophobicContact CH2-CD2 4.25Å; W410-L430 HydrophobicContact CZ3-CD2 3.78Å; W410-L430 HydrophobicContact CZ3-CG 4.38Å; W410-I478 HydrophobicContact CB-CD1 4.31Å
411R83.8Confident78.6Confident94 Ų9474.9 Ų74.936%0.35540%0.399SS..Hα-helixtrans-59.6-46.2175-178.1-178.2174.9-178.3-2.6111.4I407 A408 V409 S415 I478I407-R411 VanDerWaalsContact O-CB 3.31Å; I407-R411 WeakPolarHBondContact O-CB 3.45Å; I407-R411 PolarHBondContact O-N 3.32Å; A408-R411 PolarHBondContact O-N 2.93Å; V409-R411 VanDerWaalsContact C-N 3.34Å; V409-R411 PolarHBondContact O-N 3.09Å; R411-S415 WeakPolarHBondContact O-CB 3.4Å; R411-S415 PolarHBondContact O-N 3Å; R411-S415 VanDerWaalsContact O-N 3.13Å; R411-S415 PolarHBondContact O-OG 2.76Å; R411-I478 HydrophobicContact CB-CD1 4.2Å
412Q82.3Confident77.6Confident108 Ų10876.3 Ų76.351%0.50541%0.408SS..Hα-helixtrans-62-49.6176.9-175.6178.36.300110.8A408 V409 W410 L414 S415 E416A408-Q412 PolarHBondContact O-N 2.88Å; V409-Q412 PolarHBondContact O-N 3.45Å; W410-Q412 PolarHBondContact O-N 2.92Å; Q412-L414 PolarHBondContact O-N 3.3Å; Q412-S415 WeakPolarHBondContact O-CB 3.34Å; Q412-S415 PolarHBondContact O-N 3.48Å; Q412-E416 VanDerWaalsContact CG-CD 3.44Å; Q412-E416 HydrophobicContact CG-CG 4.28Å; Q412-E416 WeakPolarHBondContact CG-OE1 3.49Å; Q412-E416 PolarHBondContact NE2-OE1 3.14Å; Q412-E416 WeakPolarHBondContact O-CG 3.23Å; Q412-E416 PolarHBondContact O-N 3.19Å
413K78.4Confident76.9Confident104 Ų10478.4 Ų78.445%0.45242%0.419SS..Hα-helixtrans-60.4-42-179.6-76.4-178.2178.7-1780113.6V409 W410 S415 H417 T422V409-K413 HydrophobicContact CG1-CD 4.03Å; V409-K413 HydrophobicContact CG1-CG 4.46Å; V409-K413 WeakPolarHBondContact O-CB 3.49Å; V409-K413 WeakPolarHBondContact O-CG 3.26Å; V409-K413 PolarHBondContact O-N 2.85Å; W410-K413 PolarHBondContact O-N 2.86Å; K413-S415 PolarHBondContact O-N 2.86Å; K413-H417 PolarHBondContact O-N 2.88Å; K413-H417 VanDerWaalsContact O-N 3.11Å; K413-T422 HydrophobicContact CB-CG2 3.93Å; K413-T422 HydrophobicContact CD-CG2 4.06Å; K413-T422 HydrophobicContact CG-CG2 4.47Å
414L75.7Confident76.4Confident34 Ų3480.7 Ų80.718%0.17843%0.431CS..Hα-helixtrans-68.7-23.7176.4-71.8165.5000112.4W410 Q412 I423 I478W410-L414 VanDerWaalsContact O-CB 3.27Å; W410-L414 WeakPolarHBondContact O-CB 3.42Å; W410-L414 WeakPolarHBondContact O-CD1 3.39Å; W410-L414 WeakPolarHBondContact O-CG 3.41Å; W410-L414 PolarHBondContact O-N 2.96Å; Q412-L414 PolarHBondContact O-N 3.3Å; L414-I423 HydrophobicContact CD2-CG1 3.75Å; L414-I478 HydrophobicContact CD1-CD1 4.45Å; L414-I478 HydrophobicContact CD1-CG1 3.77Å
415S73.5Confident76.2Confident97 Ų9777.6 Ų77.668%0.67842%0.419SS*.Hα-helixtrans-86.5-34.4178-52.40000112.7R411 Q412 K413R411-S415 WeakPolarHBondContact O-CB 3.4Å; R411-S415 PolarHBondContact O-N 3Å; R411-S415 VanDerWaalsContact O-N 3.13Å; R411-S415 PolarHBondContact O-OG 2.76Å; Q412-S415 WeakPolarHBondContact O-CB 3.34Å; Q412-S415 PolarHBondContact O-N 3.48Å; K413-S415 PolarHBondContact O-N 2.86Å
416E66.1Low76.2Confident116 Ų11671.2 Ų71.254%0.54239%0.39SS..Hα-helixtrans-88.8-32.8-174.1-70.7173.7175.800113.4Q412Q412-E416 VanDerWaalsContact CG-CD 3.44Å; Q412-E416 HydrophobicContact CG-CG 4.28Å; Q412-E416 WeakPolarHBondContact CG-OE1 3.49Å; Q412-E416 PolarHBondContact NE2-OE1 3.14Å; Q412-E416 WeakPolarHBondContact O-CG 3.23Å; Q412-E416 PolarHBondContact O-N 3.19Å
417H56.8Low76.1Confident112 Ų11271.2 Ų71.252%0.51939%0.389SS..  trans-143.5105.8-174-72.2-68.9000112.5K413 N419K413-H417 PolarHBondContact O-N 2.88Å; K413-H417 VanDerWaalsContact O-N 3.11Å; H417-N419 PolarHBondContact O-N 3.06Å
418N57.4Low76.2Confident145 Ų14573.3 Ų73.378%0.77540%0.399SS*.  trans-70.548.8166-88.2-14.1000112.2
419N62.3Low76.4Confident93 Ų9371.7 Ų71.750%0.49738%0.382SS..  trans-87.1121.7175.1-75.8-12.7000109.3H417 N421 T422 I423H417-N419 PolarHBondContact O-N 3.06Å; N419-N421 PolarHBondContact O-N 2.83Å; N419-N421 VanDerWaalsContact O-N 3.07Å; N419-T422 PolarHBondContact O-N 3.48Å; N419-I423 PolarHBondContact O-N 2.7Å
420A66.1Low76.7Confident63 Ų6368.6 Ų68.652%0.52136%0.364SS..Hα-helixtrans-52.6-33.4-179.300000113.4I423 N424A420-I423 PolarHBondContact O-N 2.86Å; A420-N424 WeakPolarHBondContact O-CB 3.19Å; A420-N424 PolarHBondContact O-N 2.97Å; A420-N424 PolarHBondContact O-ND2 3.06Å
421N68.9Low77.1Confident137 Ų13768.6 Ų68.673%0.73337%0.367SS*.Hα-helixtrans-66.3-38.1179-66.4-10.3000113N419 G425N419-N421 PolarHBondContact O-N 2.83Å; N419-N421 VanDerWaalsContact O-N 3.07Å; N421-G425 PolarHBondContact O-N 3.03Å; N421-G425 VanDerWaalsContact O-N 3.11Å
422T70.8Confident77.6Confident44 Ų4464.8 Ų64.827%0.2736%0.355SS..Hα-helixtrans-69.4-41.2178.8-51.90000110.9K413 N419 G425 V426K413-T422 HydrophobicContact CB-CG2 3.93Å; K413-T422 HydrophobicContact CD-CG2 4.06Å; K413-T422 HydrophobicContact CG-CG2 4.47Å; N419-T422 PolarHBondContact O-N 3.48Å; T422-G425 PolarHBondContact O-N 2.88Å; T422-V426 WeakPolarHBondContact O-CG2 3.5Å; T422-V426 PolarHBondContact O-N 2.86Å
423I76.6Confident78.2Confident47 Ų4760.6 Ų60.624%0.24134%0.338CS..Hα-helixtrans-63.3-46.7176.4-63.6170.3000110L414 N419 A420 G425 V426 V427L414-I423 HydrophobicContact CD2-CG1 3.75Å; N419-I423 PolarHBondContact O-N 2.7Å; A420-I423 PolarHBondContact O-N 2.86Å; I423-G425 VanDerWaalsContact C-N 3.31Å; I423-G425 PolarHBondContact O-N 3.04Å; I423-V426 PolarHBondContact O-N 2.82Å; I423-V426 VanDerWaalsContact O-N 3.17Å; I423-V427 HydrophobicContact CG2-CG2 4.23Å; I423-V427 WeakPolarHBondContact O-CG2 3.41Å; I423-V427 PolarHBondContact O-N 3.24Å
424N80.7Confident79.1Confident90 Ų9055.7 Ų55.748%0.48132%0.317SS..Hα-helixtrans-58.7-41.2178.4-73.5-15.7000112.3A420 V427 Q428A420-N424 WeakPolarHBondContact O-CB 3.19Å; A420-N424 PolarHBondContact O-N 2.97Å; A420-N424 PolarHBondContact O-ND2 3.06Å; N424-V427 PolarHBondContact O-N 3.42Å; N424-Q428 WeakPolarHBondContact O-CB 3.49Å; N424-Q428 VanDerWaalsContact O-CG 3.3Å; N424-Q428 WeakPolarHBondContact O-CG 3.01Å; N424-Q428 PolarHBondContact O-N 3.12Å
425G81Confident80Confident20 Ų2054.1 Ų54.121%0.20631%0.309CS..Hα-helixtrans-63.7-40.2176.300000113.4N421 T422 I423 Q428 I429N421-G425 PolarHBondContact O-N 3.03Å; N421-G425 VanDerWaalsContact O-N 3.11Å; T422-G425 PolarHBondContact O-N 2.88Å; I423-G425 VanDerWaalsContact C-N 3.31Å; I423-G425 PolarHBondContact O-N 3.04Å; G425-Q428 PolarHBondContact O-N 3.35Å; G425-I429 WeakPolarHBondContact O-CG1 3.38Å; G425-I429 PolarHBondContact O-N 3.15Å
426V86.2Confident81.1Confident6 Ų649.5 Ų49.54%0.03628%0.277CS..Hα-helixtrans-65.5-46.2174.7176.30000110.7W410 T422 I423 Q428 I429 L430W410-V426 HydrophobicContact CB-CG2 4.25Å; W410-V426 HydrophobicContact CD2-CG1 3.95Å; W410-V426 HydrophobicContact CD2-CG2 4.15Å; W410-V426 HydrophobicContact CE3-CG1 4.02Å; W410-V426 HydrophobicContact CG-CG1 4.22Å; W410-V426 HydrophobicContact CG-CG2 3.76Å; T422-V426 WeakPolarHBondContact O-CG2 3.5Å; T422-V426 PolarHBondContact O-N 2.86Å; I423-V426 PolarHBondContact O-N 2.82Å; I423-V426 VanDerWaalsContact O-N 3.17Å; V426-Q428 VanDerWaalsContact C-N 3.3Å; V426-Q428 PolarHBondContact O-N 2.89Å; V426-I429 PolarHBondContact O-N 3.39Å; V426-L430 HydrophobicContact CG1-CD1 3.83Å; V426-L430 HydrophobicContact CG1-CG 4.22Å; V426-L430 WeakPolarHBondContact O-CG 3.33Å; V426-L430 PolarHBondContact O-N 2.91Å
427V86.7Confident82.5Confident36 Ų3644 Ų4422%0.21825%0.251CS..Hα-helixtrans-62-37.3179.1173.40000111.5I423 N424 L430 S431 Q481I423-V427 HydrophobicContact CG2-CG2 4.23Å; I423-V427 WeakPolarHBondContact O-CG2 3.41Å; I423-V427 PolarHBondContact O-N 3.24Å; N424-V427 PolarHBondContact O-N 3.42Å; V427-L430 PolarHBondContact O-N 3.13Å; V427-S431 VanDerWaalsContact O-CB 3.25Å; V427-S431 WeakPolarHBondContact O-CB 3.25Å; V427-S431 PolarHBondContact O-N 3.41Å; V427-S431 PolarHBondContact O-OG 3.34Å; V427-Q481 HydrophobicContact CG2-CB 4.42Å; V427-Q481 HydrophobicContact CG2-CG 4.43Å; V427-Q481 VanDerWaalsContact CG2-OE1 3.29Å
428Q88.6Confident84.3Confident54 Ų5438.6 Ų38.625%0.25223%0.226SC..Hα-helixtrans-59.5-48174.4-79.3173.3-21.300111.8Q136 D155 N424 G425 V426 S431 S432Q136-Q428 PolarHBondContact O-NE2 3.35Å; D155-Q428 HydrophobicContact CB-CB 4.5Å; N424-Q428 WeakPolarHBondContact O-CB 3.49Å; N424-Q428 VanDerWaalsContact O-CG 3.3Å; N424-Q428 WeakPolarHBondContact O-CG 3.01Å; N424-Q428 PolarHBondContact O-N 3.12Å; G425-Q428 PolarHBondContact O-N 3.35Å; V426-Q428 VanDerWaalsContact C-N 3.3Å; V426-Q428 PolarHBondContact O-N 2.89Å; Q428-S431 PolarHBondContact O-N 3.43Å; Q428-S432 PolarHBondContact O-N 3.34Å
429I91.8Very high86Confident20 Ų2032.6 Ų32.610%0.10320%0.196CC..Hα-helixtrans-64-46178.2-65.1169.6000111I402 W410 G425 V426 S431 S432 C435I402-I429 HydrophobicContact CG1-CG2 4.27Å; W410-I429 HydrophobicContact CH2-CB 4.33Å; W410-I429 HydrophobicContact CH2-CG2 3.69Å; W410-I429 HydrophobicContact CZ2-CB 4.22Å; W410-I429 HydrophobicContact CZ2-CD1 3.87Å; W410-I429 HydrophobicContact CZ2-CG2 3.82Å; G425-I429 WeakPolarHBondContact O-CG1 3.38Å; G425-I429 PolarHBondContact O-N 3.15Å; V426-I429 PolarHBondContact O-N 3.39Å; I429-S431 PolarHBondContact O-N 2.99Å; I429-S432 PolarHBondContact O-N 3.24Å; I429-S432 VanDerWaalsContact O-N 3.15Å; I429-C435 HydrophobicContact CG2-CB 4.03Å
430L92Very high87.6Confident1 Ų128.6 Ų28.61%0.00517%0.174CC..Hα-helixtrans-63.7-27.6178.8-67.5177.9000112.9I402 W410 V426 V427 S432 W436 Q481 I482 S485I402-L430 HydrophobicContact CD1-CD2 4.13Å; W410-L430 HydrophobicContact CH2-CD2 4.25Å; W410-L430 HydrophobicContact CZ3-CD2 3.78Å; W410-L430 HydrophobicContact CZ3-CG 4.38Å; V426-L430 HydrophobicContact CG1-CD1 3.83Å; V426-L430 HydrophobicContact CG1-CG 4.22Å; V426-L430 WeakPolarHBondContact O-CG 3.33Å; V426-L430 PolarHBondContact O-N 2.91Å; V427-L430 PolarHBondContact O-N 3.13Å; L430-S432 VanDerWaalsContact C-N 3.32Å; L430-W436 HydrophobicContact CD2-CZ2 4.07Å; L430-W436 PolarHBondContact O-NE1 3.43Å; L430-Q481 HydrophobicContact CD1-CB 4Å; L430-I482 HydrophobicContact CD1-CG1 3.8Å; L430-I482 HydrophobicContact CD2-CD1 4.36Å; L430-I482 HydrophobicContact CD2-CG1 3.83Å; L430-I482 HydrophobicContact CG-CG1 4.34Å; L430-S485 PolarHBondContact O-OG 3.17Å
431S93.3Very high88.8Confident19 Ų1926.3 Ų26.313%0.13315%0.153CC..THydrogen-bonded Turntrans-83.4-6178.6-55.30000113.9V427 Q428 I429 S485 L490V427-S431 VanDerWaalsContact O-CB 3.25Å; V427-S431 WeakPolarHBondContact O-CB 3.25Å; V427-S431 PolarHBondContact O-N 3.41Å; V427-S431 PolarHBondContact O-OG 3.34Å; Q428-S431 PolarHBondContact O-N 3.43Å; I429-S431 PolarHBondContact O-N 2.99Å; S431-S485 WeakPolarHBondContact CA-OG 3.31Å; S431-S485 WeakPolarHBondContact CB-OG 3.34Å; S431-S485 PolarHBondContact N-OG 3.04Å; S431-S485 VanDerWaalsContact N-OG 3.08Å; S431-S485 PolarHBondContact OG-OG 2.99Å; S431-L490 WeakPolarHBondContact O-CD1 3.43Å
432S94.8Very high89.8Confident15 Ų1521.7 Ų21.711%0.10513%0.127CC..  trans-94.2123.3-177.2175.80000113.1D155 Q428 I429 L430 A434 C435 W436D155-S432 WeakPolarHBondContact O-CB 3.5Å; D155-S432 PolarHBondContact O-OG 2.86Å; Q428-S432 PolarHBondContact O-N 3.34Å; I429-S432 PolarHBondContact O-N 3.24Å; I429-S432 VanDerWaalsContact O-N 3.15Å; L430-S432 VanDerWaalsContact C-N 3.32Å; S432-A434 PolarHBondContact O-N 3.34Å; S432-A434 PolarHBondContact OG-N 2.96Å; S432-A434 VanDerWaalsContact OG-N 3.13Å; S432-C435 PolarHBondContact O-N 3.3Å; S432-C435 PolarHBondContact OG-N 3.46Å; S432-W436 PolarHBondContact O-N 3.24Å
433A95.6Very high90.5Very high19 Ų1925.4 Ų25.416%0.15714%0.139CC..Hα-helixtrans-60.8-33.9170.400000112.4C435 W436 N437 L490 I506A433-C435 PolarHBondContact O-N 3.38Å; A433-W436 PolarHBondContact O-N 2.92Å; A433-N437 VanDerWaalsContact O-CB 3.23Å; A433-N437 WeakPolarHBondContact O-CB 3.49Å; A433-N437 PolarHBondContact O-N 3.49Å; A433-N437 PolarHBondContact O-ND2 3.22Å; A433-L490 HydrophobicContact CB-CD1 3.79Å; A433-I506 HydrophobicContact CB-CG1 4.41Å
434A95.6Very high90.8Very high2 Ų229.8 Ų29.82%0.01716%0.156CC..Hα-helixtrans-65.1-40.8-179.300000111.5G189 T399 S432 N437 G438G189-A434 WeakPolarHBondContact O-CA 3.44Å; T399-A434 HydrophobicContact CG2-CB 4.03Å; S432-A434 PolarHBondContact O-N 3.34Å; S432-A434 PolarHBondContact OG-N 2.96Å; S432-A434 VanDerWaalsContact OG-N 3.13Å; A434-N437 PolarHBondContact O-N 3.2Å; A434-G438 PolarHBondContact O-N 3.2Å
435C95.6Very high90.7Very high0 Ų032.3 Ų32.30%017%0.168CC..Hα-helixtrans-61.1-50.7175.8-66.40000111.2S400 I402 I429 S432 A433 N437 G438 S439S400-C435 WeakPolarHBondContact O-CA 3.44Å; S400-C435 VanDerWaalsContact O-CB 3.27Å; S400-C435 WeakPolarHBondContact O-CB 3.49Å; S400-C435 PolarHBondContact O-SG 3.45Å; I402-C435 HydrophobicContact CD1-CB 4.31Å; I402-C435 HydrophobicContact CG1-CB 4.45Å; I429-C435 HydrophobicContact CG2-CB 4.03Å; S432-C435 PolarHBondContact O-N 3.3Å; S432-C435 PolarHBondContact OG-N 3.46Å; A433-C435 PolarHBondContact O-N 3.38Å; C435-N437 PolarHBondContact O-N 3.35Å; C435-G438 PolarHBondContact O-N 3.14Å; C435-S439 WeakPolarHBondContact O-CB 3.13Å; C435-S439 PolarHBondContact O-N 2.63Å; C435-S439 VanDerWaalsContact O-N 3.14Å; C435-S439 PolarHBondContact O-OG 3.38Å
436W95.8Very high90.9Very high0 Ų032.7 Ų32.70%017%0.166CC..Hα-helixtrans-60.8-44.6176.4-70.8107.8000112.5I402 L430 S432 A433 G438 S439 F440 F467 I482 F486 I506 I509I402-W436 HydrophobicContact CD1-CD2 3.54Å; I402-W436 VanDerWaalsContact CD1-CE2 3.48Å; I402-W436 HydrophobicContact CD1-CE3 3.77Å; I402-W436 HydrophobicContact CD1-CG 4.09Å; I402-W436 HydrophobicContact CD1-CH2 4Å; I402-W436 HydrophobicContact CD1-CZ2 3.74Å; I402-W436 HydrophobicContact CD1-CZ3 4.01Å; I402-W436 HydrophobicContact CG2-CH2 4.43Å; I402-W436 HydrophobicContact CG2-CZ3 4.34Å; L430-W436 HydrophobicContact CD2-CZ2 4.07Å; L430-W436 PolarHBondContact O-NE1 3.43Å; S432-W436 PolarHBondContact O-N 3.24Å; A433-W436 PolarHBondContact O-N 2.92Å; W436-G438 VanDerWaalsContact C-N 3.3Å; W436-G438 PolarHBondContact O-N 3.29Å; W436-S439 PolarHBondContact O-N 2.92Å; W436-F440 AromaticContact CE3-CE2 3.73Å; W436-F440 HydrophobicContact CE3-CE2 3.73Å; W436-F440 HydrophobicContact CE3-CZ 4.09Å; W436-F440 HydrophobicContact CZ3-CE2 4.15Å; W436-F440 HydrophobicContact CZ3-CZ 4.06Å; W436-F467 HydrophobicContact CE3-CZ 4.45Å; W436-F467 AromaticContact CH2-CE1 3.76Å; W436-F467 HydrophobicContact CH2-CE1 3.76Å; W436-F467 HydrophobicContact CH2-CZ 4.3Å; W436-F467 AromaticContact CZ3-CE1 3.69Å; W436-F467 HydrophobicContact CZ3-CE1 3.69Å; W436-F467 AromaticContact CZ3-CZ 3.88Å; W436-F467 HydrophobicContact CZ3-CZ 3.88Å; W436-I482 HydrophobicContact CH2-CD1 4.33Å; W436-I482 HydrophobicContact CZ2-CG1 4.48Å; W436-I482 HydrophobicContact CZ2-CG2 4.42Å; W436-F486 AromaticContact CE2-CE1 3.65Å; W436-F486 AromaticContact CE2-CZ 3.81Å; W436-F486 HydrophobicContact CH2-CZ 4.14Å; W436-F486 AromaticContact CZ2-CE1 3.63Å; W436-F486 HydrophobicContact CZ2-CE1 3.63Å; W436-F486 AromaticContact CZ2-CZ 3.58Å; W436-F486 HydrophobicContact CZ2-CZ 3.58Å; W436-F486 AromaticContact NE1-CE1 3.56Å; W436-I506 HydrophobicContact CB-CD1 3.65Å; W436-I506 HydrophobicContact CG-CD1 4.14Å; W436-I509 HydrophobicContact CE3-CG2 4.5Å
437N95.9Very high91Very high0 Ų034.9 Ų34.90%018%0.176CC..Hα-helixtrans-64-31.1-179.7-72.2-20.3000113.4G189 P191 A433 A434 C435 L441 E502 A503 R505 I506G189-N437 PolarHBondContact O-ND2 3.2Å; P191-N437 HydrophobicContact CG-CB 4.43Å; A433-N437 VanDerWaalsContact O-CB 3.23Å; A433-N437 WeakPolarHBondContact O-CB 3.49Å; A433-N437 PolarHBondContact O-N 3.49Å; A433-N437 PolarHBondContact O-ND2 3.22Å; A434-N437 PolarHBondContact O-N 3.2Å; C435-N437 PolarHBondContact O-N 3.35Å; N437-L441 WeakPolarHBondContact O-CD2 3.34Å; N437-E502 PolarHBondContact ND2-O 3.3Å; N437-A503 WeakPolarHBondContact ND2-CA 3.49Å; N437-A503 PolarHBondContact ND2-O 3.3Å; N437-A503 VanDerWaalsContact ND2-O 3.08Å; N437-R505 HydrophobicContact CB-CB 4.35Å; N437-R505 WeakPolarHBondContact OD1-CB 3.43Å; N437-I506 WeakPolarHBondContact OD1-CA 3.37Å; N437-I506 WeakPolarHBondContact OD1-CB 3.45Å; N437-I506 PolarHBondContact OD1-N 2.8Å
438G93.9Very high91.1Very high0 Ų034 Ų340%017%0.169CC..Hα-helixtrans-84.7-18.1176.500000114.4L401 A434 C435 W436 L441L401-G438 VanDerWaalsContact CD2-O 3.31Å; L401-G438 WeakPolarHBondContact CD2-O 3.4Å; A434-G438 PolarHBondContact O-N 3.2Å; C435-G438 PolarHBondContact O-N 3.14Å; W436-G438 VanDerWaalsContact C-N 3.3Å; W436-G438 PolarHBondContact O-N 3.29Å; G438-L441 WeakPolarHBondContact O-CG 3.11Å
439S94.6Very high91.2Very high19 Ų1932.1 Ų32.113%0.13316%0.16CC..Hα-helixtrans-74.3-32.1-170.5-650000113.4I402 C435 W436I402-S439 WeakPolarHBondContact CB-OG 2.94Å; I402-S439 PolarHBondContact N-OG 3.18Å; I402-S439 WeakPolarHBondContact O-CB 3.43Å; C435-S439 WeakPolarHBondContact O-CB 3.13Å; C435-S439 PolarHBondContact O-N 2.63Å; C435-S439 VanDerWaalsContact O-N 3.14Å; C435-S439 PolarHBondContact O-OG 3.38Å; W436-S439 PolarHBondContact O-N 2.92Å
440F94.3Very high91.1Very high9 Ų936.2 Ų36.24%0.03918%0.177CC..THydrogen-bonded Turntrans-114.130.9-170.6-51.7-65.7000113.2W436 I458 D459 T463 L466 I509W436-F440 AromaticContact CE3-CE2 3.73Å; W436-F440 HydrophobicContact CE3-CE2 3.73Å; W436-F440 HydrophobicContact CE3-CZ 4.09Å; W436-F440 HydrophobicContact CZ3-CE2 4.15Å; W436-F440 HydrophobicContact CZ3-CZ 4.06Å; F440-I458 CarbonylContact O-C 3.3Å; F440-I458 WeakPolarHBondContact O-CA 3.46Å; F440-I458 WeakPolarHBondContact O-CB 3.44Å; F440-D459 PolarHBondContact O-N 2.95Å; F440-T463 WeakPolarHBondContact CB-OG1 3.48Å; F440-T463 WeakPolarHBondContact CD1-OG1 3.27Å; F440-T463 HydrophobicContact CD2-CG2 4.17Å; F440-T463 VanDerWaalsContact CD2-OG1 3.3Å; F440-T463 WeakPolarHBondContact CD2-OG1 3.29Å; F440-T463 HydrophobicContact CE2-CG2 3.88Å; F440-T463 WeakPolarHBondContact CG-OG1 3.41Å; F440-T463 HydrophobicContact CZ-CG2 4.08Å; F440-L466 HydrophobicContact CE1-CB 4.02Å; F440-L466 HydrophobicContact CE1-CD2 3.59Å; F440-L466 HydrophobicContact CE1-CG 4.42Å; F440-L466 HydrophobicContact CZ-CB 4.44Å; F440-L466 HydrophobicContact CZ-CD2 3.6Å; F440-I509 HydrophobicContact CD2-CD1 3.88Å; F440-I509 HydrophobicContact CD2-CG1 4.05Å; F440-I509 HydrophobicContact CD2-CG2 4.13Å; F440-I509 HydrophobicContact CE2-CG2 3.8Å
441L92.8Very high91.1Very high15 Ų1536.4 Ų36.48%0.07918%0.178CC..BIsolated β-bridgetrans-61.9137.1177.7-61.7178.4000111L207 N437 G438 K443 H448 R505L207-L441 HydrophobicContact CB-CD1 3.65Å; L207-L441 HydrophobicContact CD1-CD1 4.26Å; N437-L441 WeakPolarHBondContact O-CD2 3.34Å; G438-L441 WeakPolarHBondContact O-CG 3.11Å; L441-K443 PolarHBondContact O-N 3.01Å; L441-H448 HydrophobicContact CB-CB 3.89Å; L441-H448 HydrophobicContact CD2-CB 4.34Å; L441-R505 VanDerWaalsContact CD2-NH1 3.31Å
442E90.4Very high91.1Very high39 Ų3936.7 Ų36.718%0.18218%0.181CC..  trans-73.997.8175-17855.6-88.200109.6K444 E447 H448 G457E442-K444 WeakPolarHBondContact OE1-CB 3.47Å; E442-K444 WeakPolarHBondContact OE1-CD 3.2Å; E442-K444 VanDerWaalsContact OE1-CG 3.23Å; E442-K444 WeakPolarHBondContact OE1-CG 3.33Å; E442-K444 PolarHBondContact OE1-N 2.94Å; E442-E447 HydrophobicContact CB-CB 4.24Å; E442-E447 HydrophobicContact CG-CB 3.81Å; E442-E447 HydrophobicContact CG-CG 4.39Å; E442-E447 PolarHBondContact O-N 3.25Å; E442-H448 WeakPolarHBondContact O-CB 2.97Å; E442-H448 PolarHBondContact O-N 3.5Å; E442-H448 PolarHBondContact O-ND1 2.77Å; E442-H448 VanDerWaalsContact O-ND1 3.09Å; E442-G457 PolarHBondContact N-O 2.79Å
443K85.3Confident90.9Very high122 Ų12238.9 Ų38.953%0.5319%0.194SC..  trans-85.2-15.6-177.6-67179.6-175.3179.30112.3L441 I445 D446L441-K443 PolarHBondContact O-N 3.01Å; K443-I445 PolarHBondContact O-N 2.73Å; K443-D446 PolarHBondContact O-N 3.1Å
444K81.8Confident90.7Very high139 Ų13945 Ų4560%0.60422%0.217SC*.G310 helixtrans-62.4122.7174.7-64.6169.6-172.7158.50108.6E442 D446 E447E442-K444 WeakPolarHBondContact OE1-CB 3.47Å; E442-K444 WeakPolarHBondContact OE1-CD 3.2Å; E442-K444 VanDerWaalsContact OE1-CG 3.23Å; E442-K444 WeakPolarHBondContact OE1-CG 3.33Å; E442-K444 PolarHBondContact OE1-N 2.94Å; K444-D446 PolarHBondContact O-N 2.9Å; K444-E447 WeakPolarHBondContact O-CG 3.4Å; K444-E447 PolarHBondContact O-N 3.44Å
445I79.9Confident90.5Very high143 Ų14347.8 Ų47.873%0.73323%0.231SC*.G310 helixtrans5723.2178-40175000112.9K443 E447K443-I445 PolarHBondContact O-N 2.73Å; I445-E447 PolarHBondContact O-N 2.81Å
446D85.2Confident90.3Very high29 Ų2948.9 Ų48.916%0.15524%0.238CC..G310 helixtrans58.130.3179.8-69.4-31.8000114.3K243 K259 K443 K444 H448 F449K243-D446 IonicContact NZ-OD2 3.63Å; K259-D446 WeakPolarHBondContact CD-OD2 3.13Å; K259-D446 IonicContact NZ-OD1 2.76Å; K259-D446 PolarHBondContact NZ-OD1 3.12Å; K259-D446 IonicContact NZ-OD2 2.83Å; K259-D446 PolarHBondContact NZ-OD2 3.03Å; K443-D446 PolarHBondContact O-N 3.1Å; K444-D446 PolarHBondContact O-N 2.9Å; D446-H448 PolarHBondContact O-N 3.05Å; D446-H448 IonicContact OD1-CE1 2.81Å; D446-F449 HydrophobicContact CB-CD2 3.78Å; D446-F449 HydrophobicContact CB-CE2 4.25Å; D446-F449 PolarHBondContact O-N 3.46Å; D446-F449 VanDerWaalsContact O-N 3.11Å
447E86.5Confident90.1Very high52 Ų5249.1 Ų49.124%0.24324%0.241CC..G310 helixtrans-60.9-28.1-178.7-72.4-64.9137.600113E442 K444 I445 F449 K450E442-E447 HydrophobicContact CB-CB 4.24Å; E442-E447 HydrophobicContact CG-CB 3.81Å; E442-E447 HydrophobicContact CG-CG 4.39Å; E442-E447 PolarHBondContact O-N 3.25Å; K444-E447 WeakPolarHBondContact O-CG 3.4Å; K444-E447 PolarHBondContact O-N 3.44Å; I445-E447 PolarHBondContact O-N 2.81Å; E447-F449 PolarHBondContact O-N 2.89Å; E447-F449 VanDerWaalsContact O-N 3.15Å; E447-K450 VanDerWaalsContact CD-NZ 3.34Å; E447-K450 WeakPolarHBondContact O-CB 3.44Å; E447-K450 PolarHBondContact O-N 2.9Å; E447-K450 IonicContact OE1-NZ 3.04Å; E447-K450 PolarHBondContact OE1-NZ 3.48Å; E447-K450 WeakPolarHBondContact OE2-CD 3.45Å; E447-K450 IonicContact OE2-NZ 3.33Å; E447-K450 PolarHBondContact OE2-NZ 3.41Å
448H90Very high90.1Very high16 Ų1649.9 Ų49.97%0.07425%0.245CC..G310 helixtrans-55-30.7173.966.7-71.6000113.4L207 S208 L441 E442 D446 K450 T451L207-H448 PolarHBondContact O-CD2 3.43Å; S208-H448 WeakPolarHBondContact CB-O 3.21Å; L441-H448 HydrophobicContact CB-CB 3.89Å; L441-H448 HydrophobicContact CD2-CB 4.34Å; E442-H448 WeakPolarHBondContact O-CB 2.97Å; E442-H448 PolarHBondContact O-N 3.5Å; E442-H448 PolarHBondContact O-ND1 2.77Å; E442-H448 VanDerWaalsContact O-ND1 3.09Å; D446-H448 PolarHBondContact O-N 3.05Å; D446-H448 IonicContact OD1-CE1 2.81Å; H448-K450 PolarHBondContact O-N 3.5Å; H448-T451 WeakPolarHBondContact O-CB 3.45Å; H448-T451 PolarHBondContact O-N 2.64Å; H448-T451 PolarHBondContact O-OG1 3.2Å
449F91.4Very high90Very high16 Ų1650.8 Ų50.87%0.0725%0.249CC..G310 helixtrans-69.2-14.1174.4-71.5-82.4000114S208 K243 V245 K259 D446 E447 T451S208-F449 WeakPolarHBondContact O-CA 3.2Å; S208-F449 WeakPolarHBondContact O-CD1 3.21Å; K243-F449 HydrophobicContact CB-CD1 3.81Å; K243-F449 HydrophobicContact CB-CD2 4.4Å; K243-F449 HydrophobicContact CB-CE1 4Å; K243-F449 HydrophobicContact CB-CG 4.01Å; K243-F449 HydrophobicContact CB-CZ 4.35Å; K243-F449 HydrophobicContact CD-CB 4.48Å; K243-F449 HydrophobicContact CD-CD2 4.28Å; K243-F449 HydrophobicContact CD-CG 4.35Å; K243-F449 HydrophobicContact CG-CB 3.86Å; K243-F449 HydrophobicContact CG-CD1 4.07Å; K243-F449 HydrophobicContact CG-CD2 4.21Å; K243-F449 HydrophobicContact CG-CG 3.8Å; V245-F449 HydrophobicContact CG1-CE1 4.34Å; V245-F449 HydrophobicContact CG1-CZ 3.98Å; K259-F449 HydrophobicContact CD-CE2 4.26Å; D446-F449 HydrophobicContact CB-CD2 3.78Å; D446-F449 HydrophobicContact CB-CE2 4.25Å; D446-F449 PolarHBondContact O-N 3.46Å; D446-F449 VanDerWaalsContact O-N 3.11Å; E447-F449 PolarHBondContact O-N 2.89Å; E447-F449 VanDerWaalsContact O-N 3.15Å; F449-T451 VanDerWaalsContact C-N 3.27Å
450K89.5Confident89.9Confident105 Ų10551.2 Ų51.246%0.45725%0.25SS..G310 helixtrans-89.810.4175.9-60.5-177.9-169.9164.20113.1E447 H448 S452E447-K450 VanDerWaalsContact CD-NZ 3.34Å; E447-K450 WeakPolarHBondContact O-CB 3.44Å; E447-K450 PolarHBondContact O-N 2.9Å; E447-K450 IonicContact OE1-NZ 3.04Å; E447-K450 PolarHBondContact OE1-NZ 3.48Å; E447-K450 WeakPolarHBondContact OE2-CD 3.45Å; E447-K450 IonicContact OE2-NZ 3.33Å; E447-K450 PolarHBondContact OE2-NZ 3.41Å; H448-K450 PolarHBondContact O-N 3.5Å; K450-S452 PolarHBondContact O-N 3.39Å; K450-S452 PolarHBondContact O-OG 3.24Å
451T91.6Very high89.7Confident5 Ų555.2 Ų55.23%0.03127%0.272CS..  trans-53.8132-179.1-62.80000111R240 H448 F449 I455 V501 E502 R505R240-T451 VanDerWaalsContact CZ-O 3.28Å; R240-T451 PolarHBondContact NE-O 3.12Å; R240-T451 PolarHBondContact NH2-O 3.43Å; H448-T451 WeakPolarHBondContact O-CB 3.45Å; H448-T451 PolarHBondContact O-N 2.64Å; H448-T451 PolarHBondContact O-OG1 3.2Å; F449-T451 VanDerWaalsContact C-N 3.27Å; T451-I455 CarbonylContact C-O 3.52Å; T451-I455 WeakPolarHBondContact CA-O 3.43Å; T451-V501 HydrophobicContact CG2-CG2 4.01Å; T451-E502 HydrophobicContact CG2-CG 3.98Å; T451-R505 PolarHBondContact OG1-NH2 3.01Å
452S91.9Very high89.6Confident26 Ų2657.2 Ų57.218%0.18229%0.287CS..SBendtrans-162.4171.8-173.364.50000110.9K450 K454 I455 W547K450-S452 PolarHBondContact O-N 3.39Å; K450-S452 PolarHBondContact O-OG 3.24Å; S452-K454 PolarHBondContact O-N 2.95Å; S452-K454 PolarHBondContact OG-N 3.26Å; S452-I455 PolarHBondContact N-O 3.28Å; S452-I455 CarbonylContact O-C 3.19Å; S452-I455 PolarHBondContact O-N 2.92Å; S452-I455 VanDerWaalsContact O-N 3.14Å; S452-I455 PolarHBondContact OG-N 2.87Å; S452-I455 VanDerWaalsContact OG-N 3.09Å; S452-W547 PolarHBondContact O-NE1 2.87Å
453P91.6Very high89.7Confident60 Ų6055.3 Ų55.339%0.3928%0.278SS..SBendtrans-51.9-16.5168-33.239.6000115.6V501 V543 W547P453-V501 HydrophobicContact CG-CG1 4.01Å; P453-V543 HydrophobicContact CB-CG1 4.5Å; P453-V543 HydrophobicContact CB-CG2 3.93Å; P453-V543 HydrophobicContact CG-CG2 4.47Å; P453-W547 PolarHBondContact O-NE1 3.12Å
454K90.4Very high90Very high147 Ų14753.3 Ų53.364%0.63927%0.267SS*.SBendtrans-99.3-41.5176.4-63-177179.1-176.90111.8S452 W547 Q550S452-K454 PolarHBondContact O-N 2.95Å; S452-K454 PolarHBondContact OG-N 3.26Å; K454-W547 VanDerWaalsContact O-CD1 3.27Å; K454-Q550 PolarHBondContact O-NE2 3.17Å; K454-Q550 PolarHBondContact O-OE1 2.87Å
455I91.3Very high90.5Very high61 Ų6149.6 Ų49.631%0.31326%0.257SS..  trans-116.5119.9-172.4-59.6169000109.3T451 S452 G457T451-I455 CarbonylContact C-O 3.52Å; T451-I455 WeakPolarHBondContact CA-O 3.43Å; S452-I455 PolarHBondContact N-O 3.28Å; S452-I455 CarbonylContact O-C 3.19Å; S452-I455 PolarHBondContact O-N 2.92Å; S452-I455 VanDerWaalsContact O-N 3.14Å; S452-I455 PolarHBondContact OG-N 2.87Å; S452-I455 VanDerWaalsContact OG-N 3.09Å; I455-G457 VanDerWaalsContact C-N 3.34Å; I455-G457 PolarHBondContact O-N 2.93Å
456P92.7Very high91.1Very high23 Ų2343.3 Ų43.315%0.14922%0.224CC..  trans-73.5-23.5-178.928.3-34.4000113.7I458 R505 L508 W547P456-I458 HydrophobicContact CB-CG1 4.16Å; P456-I458 HydrophobicContact CG-CG1 4.35Å; P456-R505 PolarHBondContact O-NE 2.91Å; P456-L508 HydrophobicContact CB-CD1 3.77Å; P456-L508 HydrophobicContact CG-CD1 4.06Å; P456-W547 HydrophobicContact CB-CD2 3.88Å; P456-W547 HydrophobicContact CB-CE3 4.16Å; P456-W547 HydrophobicContact CB-CG 4.3Å; P456-W547 HydrophobicContact CB-CH2 4.17Å; P456-W547 HydrophobicContact CB-CZ2 3.96Å; P456-W547 HydrophobicContact CB-CZ3 4.29Å; P456-W547 HydrophobicContact CG-CG 4.48Å
457G92.2Very high91.5Very high5 Ų542 Ų425%0.05222%0.217CC..  trans7127.6177.100000114.7E442 I455E442-G457 PolarHBondContact N-O 2.79Å; I455-G457 VanDerWaalsContact C-N 3.34Å; I455-G457 PolarHBondContact O-N 2.93Å
458I94Very high91.7Very high17 Ų1744.3 Ų44.39%0.08723%0.228CC..BIsolated β-bridgetrans-121.5151.8179.863.6178.3000111.9F440 P456 L460 R505 L508 I509F440-I458 CarbonylContact O-C 3.3Å; F440-I458 WeakPolarHBondContact O-CA 3.46Å; F440-I458 WeakPolarHBondContact O-CB 3.44Å; P456-I458 HydrophobicContact CB-CG1 4.16Å; P456-I458 HydrophobicContact CG-CG1 4.35Å; I458-L460 HydrophobicContact CD1-CD2 3.68Å; I458-L460 HydrophobicContact CD1-CG 4.29Å; I458-L460 HydrophobicContact CG1-CD2 4.26Å; I458-L460 HydrophobicContact CG1-CG 4.36Å; I458-R505 HydrophobicContact CD1-CB 4.44Å; I458-R505 HydrophobicContact CG2-CB 4.09Å; I458-R505 HydrophobicContact CG2-CG 3.65Å; I458-L508 HydrophobicContact CD1-CB 3.88Å; I458-L508 HydrophobicContact CD1-CD1 3.99Å; I458-I509 HydrophobicContact CD1-CG1 4.26Å
459D92.9Very high91.6Very high18 Ų1848 Ų4810%0.09624%0.244CC..  trans-97.695.7171.3-178.1-2.2000110.6F440 N461 S462 T463F440-D459 PolarHBondContact O-N 2.95Å; D459-N461 PolarHBondContact O-N 3.44Å; D459-N461 WeakPolarHBondContact OD1-CA 3.32Å; D459-N461 WeakPolarHBondContact OD1-CB 3.45Å; D459-N461 PolarHBondContact OD1-N 2.92Å; D459-S462 VanDerWaalsContact CG-OG 3.32Å; D459-S462 PolarHBondContact O-N 3.05Å; D459-S462 PolarHBondContact OD1-N 3.09Å; D459-S462 WeakPolarHBondContact OD2-CB 3.49Å; D459-S462 PolarHBondContact OD2-OG 3.13Å; D459-T463 PolarHBondContact O-N 2.85Å; D459-T463 PolarHBondContact O-OG1 2.88Å
460L91.4Very high91.5Very high29 Ų2947.3 Ų47.315%0.15224%0.241CC..Hα-helixtrans-63.6-25.4177.6-68.8175.1000113.3I458 T463 R464 L508 V551 Y555I458-L460 HydrophobicContact CD1-CD2 3.68Å; I458-L460 HydrophobicContact CD1-CG 4.29Å; I458-L460 HydrophobicContact CG1-CD2 4.26Å; I458-L460 HydrophobicContact CG1-CG 4.36Å; L460-T463 WeakPolarHBondContact O-CB 3.31Å; L460-T463 PolarHBondContact O-N 3.43Å; L460-R464 PolarHBondContact O-N 2.95Å; L460-L508 HydrophobicContact CD2-CB 4.18Å; L460-V551 HydrophobicContact CD1-CG1 4.18Å; L460-Y555 HydrophobicContact CD1-CD2 4Å; L460-Y555 HydrophobicContact CD1-CE2 4.22Å; L460-Y555 HydrophobicContact CD1-CG 4.37Å; L460-Y555 HydrophobicContact CD2-CE2 4.31Å
461N91.6Very high91.4Very high92 Ų9245.8 Ų45.849%0.49224%0.236SC..Hα-helixtrans-70.8-41.6176-74.5-50.3000110.8D459 T463 R464 V465D459-N461 PolarHBondContact O-N 3.44Å; D459-N461 WeakPolarHBondContact OD1-CA 3.32Å; D459-N461 WeakPolarHBondContact OD1-CB 3.45Å; D459-N461 PolarHBondContact OD1-N 2.92Å; N461-T463 VanDerWaalsContact C-N 3.3Å; N461-T463 PolarHBondContact O-N 3.25Å; N461-R464 PolarHBondContact O-N 2.86Å; N461-R464 PolarHBondContact OD1-NH2 2.91Å; N461-R464 VanDerWaalsContact OD1-NH2 3.12Å; N461-V465 WeakPolarHBondContact O-CG2 3.48Å; N461-V465 PolarHBondContact O-N 3.44Å
462S90.9Very high91.2Very high57 Ų5749.6 Ų49.640%0.39926%0.256SS..Hα-helixtrans-61.3-39.8174.4-71.80000111.6D459 V465 L466D459-S462 VanDerWaalsContact CG-OG 3.32Å; D459-S462 PolarHBondContact O-N 3.05Å; D459-S462 PolarHBondContact OD1-N 3.09Å; D459-S462 WeakPolarHBondContact OD2-CB 3.49Å; D459-S462 PolarHBondContact OD2-OG 3.13Å; S462-V465 PolarHBondContact O-N 3.35Å; S462-L466 PolarHBondContact O-N 3.2Å
463T92.3Very high90.5Very high0 Ų052.9 Ų52.90%028%0.28CS..Hα-helixtrans-56.9-51.4172.1-56.10000112.1F440 D459 L460 N461 V465 L466 F467 I509 E512F440-T463 WeakPolarHBondContact CB-OG1 3.48Å; F440-T463 WeakPolarHBondContact CD1-OG1 3.27Å; F440-T463 HydrophobicContact CD2-CG2 4.17Å; F440-T463 VanDerWaalsContact CD2-OG1 3.3Å; F440-T463 WeakPolarHBondContact CD2-OG1 3.29Å; F440-T463 HydrophobicContact CE2-CG2 3.88Å; F440-T463 WeakPolarHBondContact CG-OG1 3.41Å; F440-T463 HydrophobicContact CZ-CG2 4.08Å; D459-T463 PolarHBondContact O-N 2.85Å; D459-T463 PolarHBondContact O-OG1 2.88Å; L460-T463 WeakPolarHBondContact O-CB 3.31Å; L460-T463 PolarHBondContact O-N 3.43Å; N461-T463 VanDerWaalsContact C-N 3.3Å; N461-T463 PolarHBondContact O-N 3.25Å; T463-V465 PolarHBondContact O-N 3.46Å; T463-L466 PolarHBondContact O-N 2.97Å; T463-F467 HydrophobicContact CG2-CD2 3.78Å; T463-F467 HydrophobicContact CG2-CE2 3.46Å; T463-F467 VanDerWaalsContact CG2-CE2 3.46Å; T463-F467 HydrophobicContact CG2-CZ 4.41Å; T463-F467 WeakPolarHBondContact O-CD2 3.43Å; T463-F467 PolarHBondContact O-N 3.43Å; T463-I509 HydrophobicContact CG2-CB 4.46Å; T463-I509 HydrophobicContact CG2-CG2 3.89Å; T463-E512 HydrophobicContact CG2-CB 4.04Å
464R91.3Very high89.9Confident79 Ų7955.1 Ų55.130%0.29829%0.285SS..Hα-helixtrans-60.6-46.7-179.8177.817160.594.9-0.4112.5L460 N461 L466 F467 E468 K558L460-R464 PolarHBondContact O-N 2.95Å; N461-R464 PolarHBondContact O-N 2.86Å; N461-R464 PolarHBondContact OD1-NH2 2.91Å; N461-R464 VanDerWaalsContact OD1-NH2 3.12Å; R464-L466 VanDerWaalsContact C-N 3.29Å; R464-L466 PolarHBondContact O-N 3.24Å; R464-F467 PolarHBondContact O-N 3.25Å; R464-E468 HydrophobicContact CG-CG 4.37Å; R464-E468 VanDerWaalsContact CG-OE1 3.24Å; R464-E468 WeakPolarHBondContact CG-OE1 3.45Å; R464-E468 IonicContact NH1-OE1 2.65Å; R464-E468 PolarHBondContact NH1-OE1 3.12Å; R464-E468 WeakPolarHBondContact O-CB 3.45Å; R464-E468 WeakPolarHBondContact O-CG 3.3Å; R464-E468 PolarHBondContact O-N 3.07Å; R464-K558 VanDerWaalsContact CD-NZ 3.33Å
465V92.2Very high89.5Confident62 Ų6249.6 Ų49.638%0.37626%0.261SS..Hα-helixtrans-61-40179.1170.40000111.2N461 S462 T463 K469N461-V465 WeakPolarHBondContact O-CG2 3.48Å; N461-V465 PolarHBondContact O-N 3.44Å; S462-V465 PolarHBondContact O-N 3.35Å; T463-V465 PolarHBondContact O-N 3.46Å; V465-K469 HydrophobicContact CG1-CD 4.32Å; V465-K469 VanDerWaalsContact O-CG 3.31Å; V465-K469 WeakPolarHBondContact O-CG 3.41Å; V465-K469 PolarHBondContact O-N 3.41Å; V465-K469 VanDerWaalsContact O-N 3.08Å
466L92.1Very high89.2Confident10 Ų1050 Ų505%0.05227%0.269CS..Hα-helixtrans-64.2-47.4176.8-167.176.4000111.4I402 I407 F440 S462 T463 R464 K469 L470I402-L466 HydrophobicContact CG2-CD2 4.15Å; I407-L466 HydrophobicContact CD1-CD1 3.63Å; I407-L466 HydrophobicContact CD1-CD2 4.26Å; I407-L466 HydrophobicContact CD1-CG 4.14Å; F440-L466 HydrophobicContact CE1-CB 4.02Å; F440-L466 HydrophobicContact CE1-CD2 3.59Å; F440-L466 HydrophobicContact CE1-CG 4.42Å; F440-L466 HydrophobicContact CZ-CB 4.44Å; F440-L466 HydrophobicContact CZ-CD2 3.6Å; S462-L466 PolarHBondContact O-N 3.2Å; T463-L466 PolarHBondContact O-N 2.97Å; R464-L466 VanDerWaalsContact C-N 3.29Å; R464-L466 PolarHBondContact O-N 3.24Å; L466-K469 WeakPolarHBondContact O-CB 3.39Å; L466-K469 PolarHBondContact O-N 3.31Å; L466-L470 HydrophobicContact CG-CD1 4.3Å; L466-L470 WeakPolarHBondContact O-CG 3.32Å; L466-L470 PolarHBondContact O-N 3.03Å
467F92.9Very high88.8Confident1 Ų154.9 Ų54.90%0.00429%0.291CS..Hα-helixtrans-64.4-41.1178.8-72.5-46000112.6W436 T463 R464 K469 L470 M471 I509 E512 F513 P514W436-F467 HydrophobicContact CE3-CZ 4.45Å; W436-F467 AromaticContact CH2-CE1 3.76Å; W436-F467 HydrophobicContact CH2-CE1 3.76Å; W436-F467 HydrophobicContact CH2-CZ 4.3Å; W436-F467 AromaticContact CZ3-CE1 3.69Å; W436-F467 HydrophobicContact CZ3-CE1 3.69Å; W436-F467 AromaticContact CZ3-CZ 3.88Å; W436-F467 HydrophobicContact CZ3-CZ 3.88Å; T463-F467 HydrophobicContact CG2-CD2 3.78Å; T463-F467 HydrophobicContact CG2-CE2 3.46Å; T463-F467 VanDerWaalsContact CG2-CE2 3.46Å; T463-F467 HydrophobicContact CG2-CZ 4.41Å; T463-F467 WeakPolarHBondContact O-CD2 3.43Å; T463-F467 PolarHBondContact O-N 3.43Å; R464-F467 PolarHBondContact O-N 3.25Å; F467-K469 VanDerWaalsContact C-N 3.3Å; F467-K469 PolarHBondContact O-N 3.01Å; F467-L470 HydrophobicContact CD1-CD1 4.15Å; F467-L470 PolarHBondContact O-N 3.36Å; F467-L470 VanDerWaalsContact O-N 3.14Å; F467-M471 WeakPolarHBondContact O-CG 3.5Å; F467-M471 PolarHBondContact O-N 3.44Å; F467-M471 VanDerWaalsContact O-N 3.16Å; F467-I509 HydrophobicContact CE2-CG2 4.28Å; F467-I509 HydrophobicContact CZ-CG2 4.26Å; F467-E512 HydrophobicContact CD2-CB 4.05Å; F467-E512 HydrophobicContact CE2-CB 4.24Å; F467-F513 HydrophobicContact CB-CD2 4.49Å; F467-F513 HydrophobicContact CD1-CB 4.44Å; F467-F513 AromaticContact CD1-CD2 3.53Å; F467-F513 HydrophobicContact CD1-CD2 3.53Å; F467-F513 HydrophobicContact CD1-CE2 4.23Å; F467-F513 HydrophobicContact CD1-CG 4.4Å; F467-F513 HydrophobicContact CD2-CB 4.21Å; F467-F513 HydrophobicContact CE1-CB 4.24Å; F467-F513 AromaticContact CE1-CD2 3.76Å; F467-F513 HydrophobicContact CE1-CD2 3.76Å; F467-F513 HydrophobicContact CE1-CG 4.3Å; F467-F513 HydrophobicContact CE2-CB 3.99Å; F467-F513 HydrophobicContact CG-CB 4.45Å; F467-F513 AromaticContact CG-CD2 4Å; F467-F513 HydrophobicContact CG-CD2 4Å; F467-F513 HydrophobicContact CZ-CB 4.01Å; F467-F513 HydrophobicContact CZ-CD2 4.39Å; F467-P514 HydrophobicContact CB-CG 4.34Å
468E90.9Very high88.6Confident101 Ų10154.9 Ų54.947%0.47229%0.29SS..Hα-helixtrans-59.2-40.2174.7-74.1172.8-171.100111.6R464 M471R464-E468 HydrophobicContact CG-CG 4.37Å; R464-E468 VanDerWaalsContact CG-OE1 3.24Å; R464-E468 WeakPolarHBondContact CG-OE1 3.45Å; R464-E468 IonicContact NH1-OE1 2.65Å; R464-E468 PolarHBondContact NH1-OE1 3.12Å; R464-E468 WeakPolarHBondContact O-CB 3.45Å; R464-E468 WeakPolarHBondContact O-CG 3.3Å; R464-E468 PolarHBondContact O-N 3.07Å; E468-M471 PolarHBondContact O-N 3.37Å
469K89.3Confident88.3Confident93 Ų9355 Ų5540%0.40429%0.291SS..Hα-helixtrans-66-37174.1-74172175.1178.60113.1D404 V465 L466 F467 M471 N472 H475D404-K469 VanDerWaalsContact CG-NZ 3.31Å; D404-K469 IonicContact OD1-NZ 3.71Å; D404-K469 PolarHBondContact OD1-NZ 3.18Å; D404-K469 VanDerWaalsContact OD1-NZ 3.1Å; D404-K469 IonicContact OD2-NZ 2.64Å; D404-K469 PolarHBondContact OD2-NZ 3.48Å; V465-K469 HydrophobicContact CG1-CD 4.32Å; V465-K469 VanDerWaalsContact O-CG 3.31Å; V465-K469 WeakPolarHBondContact O-CG 3.41Å; V465-K469 PolarHBondContact O-N 3.41Å; V465-K469 VanDerWaalsContact O-N 3.08Å; L466-K469 WeakPolarHBondContact O-CB 3.39Å; L466-K469 PolarHBondContact O-N 3.31Å; F467-K469 VanDerWaalsContact C-N 3.3Å; F467-K469 PolarHBondContact O-N 3.01Å; K469-M471 PolarHBondContact O-N 2.84Å; K469-N472 VanDerWaalsContact O-CB 3.3Å; K469-N472 WeakPolarHBondContact O-CB 3.37Å; K469-N472 PolarHBondContact O-N 2.93Å; K469-H475 PolarHBondContact O-ND1 2.71Å
470L88.6Confident88.1Confident2 Ų259 Ų591%0.0131%0.309CS..Hα-helixtrans-68.3-22.3178.4-75.7168.8000112.7I407 L466 F467 N472 H475 I478 I482I407-L470 HydrophobicContact CD1-CD1 4.47Å; I407-L470 HydrophobicContact CD1-CD2 3.94Å; I407-L470 HydrophobicContact CD1-CG 4.35Å; I407-L470 HydrophobicContact CG1-CD2 4.49Å; I407-L470 HydrophobicContact CG2-CD2 4.26Å; L466-L470 HydrophobicContact CG-CD1 4.3Å; L466-L470 WeakPolarHBondContact O-CG 3.32Å; L466-L470 PolarHBondContact O-N 3.03Å; F467-L470 HydrophobicContact CD1-CD1 4.15Å; F467-L470 PolarHBondContact O-N 3.36Å; F467-L470 VanDerWaalsContact O-N 3.14Å; L470-N472 PolarHBondContact O-N 3.28Å; L470-H475 HydrophobicContact CD2-CB 4.26Å; L470-I478 HydrophobicContact CD2-CG2 4.23Å; L470-I482 HydrophobicContact CD1-CD1 3.79Å; L470-I482 HydrophobicContact CD2-CD1 4.4Å
471M88.2Confident88Confident74 Ų7460 Ų6037%0.36531%0.313SS..THydrogen-bonded Turntrans-71.6-11173.8-64.9-51-58.400113.8F467 E468 K469 L479 P514 L515F467-M471 WeakPolarHBondContact O-CG 3.5Å; F467-M471 PolarHBondContact O-N 3.44Å; F467-M471 VanDerWaalsContact O-N 3.16Å; E468-M471 PolarHBondContact O-N 3.37Å; K469-M471 PolarHBondContact O-N 2.84Å; M471-L479 HydrophobicContact CE-CD2 4.01Å; M471-L479 HydrophobicContact SD-CD1 3.91Å; M471-L479 HydrophobicContact SD-CD2 3.93Å; M471-P514 HydrophobicContact CG-CB 4.3Å; M471-P514 HydrophobicContact CG-CG 4.05Å; M471-P514 HydrophobicContact SD-CB 4.35Å; M471-P514 HydrophobicContact SD-CG 4.46Å; M471-L515 HydrophobicContact CE-CD1 4.22Å; M471-L515 HydrophobicContact CE-CD2 3.75Å; M471-L515 HydrophobicContact CE-CG 3.91Å; M471-L515 HydrophobicContact SD-CD1 4.28Å; M471-L515 HydrophobicContact SD-CG 4.06Å
472N86.7Confident87.9Confident84 Ų8455.8 Ų55.845%0.44929%0.29SS..SBendtrans-69.2145.1178.3-160.7-3.9000111.2K469 L470 Q474 H475K469-N472 VanDerWaalsContact O-CB 3.3Å; K469-N472 WeakPolarHBondContact O-CB 3.37Å; K469-N472 PolarHBondContact O-N 2.93Å; L470-N472 PolarHBondContact O-N 3.28Å; N472-Q474 PolarHBondContact O-N 3.17Å; N472-H475 PolarHBondContact O-N 3.38Å
473S76.3Confident88Confident96 Ų9653.9 Ų53.967%0.67128%0.276SS*.G310 helixtrans-57.6-25-174.860.20000113.8H475 S476S473-H475 PolarHBondContact O-N 3.02Å; S473-S476 PolarHBondContact O-N 3.15Å; S473-S476 PolarHBondContact O-OG 3.08Å
474Q79.6Confident87.9Confident107 Ų10757.2 Ų57.250%0.529%0.294SS..G310 helixtrans-65.1-16.8176.2-62.9-168.24.700114.6N472N472-Q474 PolarHBondContact O-N 3.17Å
475H82.7Confident87.9Confident31 Ų3153.6 Ų53.614%0.14428%0.28CS..G310 helixtrans-114.814.6-177-57.2126.5000113.1K469 L470 N472 S473 M477 I478 L479K469-H475 PolarHBondContact O-ND1 2.71Å; L470-H475 HydrophobicContact CD2-CB 4.26Å; N472-H475 PolarHBondContact O-N 3.38Å; S473-H475 PolarHBondContact O-N 3.02Å; H475-M477 VanDerWaalsContact C-N 3.32Å; H475-M477 PolarHBondContact O-N 2.91Å; H475-I478 PolarHBondContact O-N 3.11Å; H475-L479 PolarHBondContact O-N 3.27Å
476S84.8Confident88Confident68 Ų6850.6 Ų50.648%0.47626%0.262SS..Hα-helixtrans-52.4-43.9-174.257.10000114.2S473 I478 L479 E480S473-S476 PolarHBondContact O-N 3.15Å; S473-S476 PolarHBondContact O-OG 3.08Å; S476-I478 PolarHBondContact O-N 3.13Å; S476-L479 PolarHBondContact O-N 3.14Å; S476-E480 PolarHBondContact O-N 3.21Å
477M84.1Confident88Confident126 Ų12653.9 Ų53.962%0.62128%0.277SS*.Hα-helixtrans-63.4-42.1178.3-68.1-69.216800112.3H475 E480 Q481H475-M477 VanDerWaalsContact C-N 3.32Å; H475-M477 PolarHBondContact O-N 2.91Å; M477-E480 PolarHBondContact O-N 3Å; M477-Q481 WeakPolarHBondContact O-CG 3.38Å; M477-Q481 PolarHBondContact O-N 3.11Å
478I86.7Confident87.9Confident5 Ų557.9 Ų57.93%0.02631%0.305CS..Hα-helixtrans-69.3-41.9178.5-62.9174.6000109.6I407 W410 R411 L414 L470 H475 S476 E480 Q481 I482I407-I478 HydrophobicContact CG2-CD1 3.96Å; W410-I478 HydrophobicContact CB-CD1 4.31Å; R411-I478 HydrophobicContact CB-CD1 4.2Å; L414-I478 HydrophobicContact CD1-CD1 4.45Å; L414-I478 HydrophobicContact CD1-CG1 3.77Å; L470-I478 HydrophobicContact CD2-CG2 4.23Å; H475-I478 PolarHBondContact O-N 3.11Å; S476-I478 PolarHBondContact O-N 3.13Å; I478-E480 VanDerWaalsContact C-N 3.31Å; I478-E480 PolarHBondContact O-N 3.2Å; I478-Q481 PolarHBondContact O-N 2.95Å; I478-I482 HydrophobicContact CG2-CD1 3.97Å; I478-I482 HydrophobicContact CG2-CG1 4.38Å; I478-I482 WeakPolarHBondContact O-CG1 3.39Å; I478-I482 PolarHBondContact O-N 3.34Å
479L89.3Confident87.8Confident21 Ų2154.8 Ų54.811%0.1130%0.295CS..Hα-helixtrans-59.8-40.6177.2-175.466.2000111.9M471 H475 S476 I482 L483 F513 L515M471-L479 HydrophobicContact CE-CD2 4.01Å; M471-L479 HydrophobicContact SD-CD1 3.91Å; M471-L479 HydrophobicContact SD-CD2 3.93Å; H475-L479 PolarHBondContact O-N 3.27Å; S476-L479 PolarHBondContact O-N 3.14Å; L479-I482 PolarHBondContact O-N 2.72Å; L479-L483 WeakPolarHBondContact O-CG 3.44Å; L479-L483 PolarHBondContact O-N 2.87Å; L479-F513 HydrophobicContact CD1-CE2 3.7Å; L479-F513 HydrophobicContact CD1-CZ 3.78Å; L479-L515 HydrophobicContact CD1-CD1 4.02Å; L479-L515 HydrophobicContact CD2-CD1 4.21Å; L479-L515 HydrophobicContact CG-CD1 4.18Å
480E88.5Confident88Confident102 Ų10250.6 Ų50.648%0.47728%0.277SS..Hα-helixtrans-63.3-42.4174.4-172.3178.9-178.400112.1S476 M477 I478 L483 N484S476-E480 PolarHBondContact O-N 3.21Å; M477-E480 PolarHBondContact O-N 3Å; I478-E480 VanDerWaalsContact C-N 3.31Å; I478-E480 PolarHBondContact O-N 3.2Å; E480-L483 PolarHBondContact O-N 3.29Å; E480-N484 PolarHBondContact O-N 3.1Å; E480-N484 PolarHBondContact O-ND2 2.8Å
481Q88.5Confident88.3Confident50 Ų5050.8 Ų50.823%0.23428%0.277CS..Hα-helixtrans-65.9-37.5175.2-63.4-51.8-4800112.4V427 L430 M477 I478 S485V427-Q481 HydrophobicContact CG2-CB 4.42Å; V427-Q481 HydrophobicContact CG2-CG 4.43Å; V427-Q481 VanDerWaalsContact CG2-OE1 3.29Å; L430-Q481 HydrophobicContact CD1-CB 4Å; M477-Q481 WeakPolarHBondContact O-CG 3.38Å; M477-Q481 PolarHBondContact O-N 3.11Å; I478-Q481 PolarHBondContact O-N 2.95Å; Q481-S485 WeakPolarHBondContact O-CB 3.35Å; Q481-S485 PolarHBondContact O-N 3.46Å
482I90.9Very high88.4Confident2 Ų250.7 Ų50.71%0.0128%0.282CS..Hα-helixtrans-60.9-46.4173.6-69.7170.4000110.2L430 W436 L470 I478 L479 S485 F486 F513L430-I482 HydrophobicContact CD1-CG1 3.8Å; L430-I482 HydrophobicContact CD2-CD1 4.36Å; L430-I482 HydrophobicContact CD2-CG1 3.83Å; L430-I482 HydrophobicContact CG-CG1 4.34Å; W436-I482 HydrophobicContact CH2-CD1 4.33Å; W436-I482 HydrophobicContact CZ2-CG1 4.48Å; W436-I482 HydrophobicContact CZ2-CG2 4.42Å; L470-I482 HydrophobicContact CD1-CD1 3.79Å; L470-I482 HydrophobicContact CD2-CD1 4.4Å; I478-I482 HydrophobicContact CG2-CD1 3.97Å; I478-I482 HydrophobicContact CG2-CG1 4.38Å; I478-I482 WeakPolarHBondContact O-CG1 3.39Å; I478-I482 PolarHBondContact O-N 3.34Å; L479-I482 PolarHBondContact O-N 2.72Å; I482-S485 WeakPolarHBondContact O-CB 3.49Å; I482-S485 PolarHBondContact O-N 3.22Å; I482-F486 HydrophobicContact CG2-CD1 4.2Å; I482-F486 HydrophobicContact CG2-CD2 4.05Å; I482-F486 HydrophobicContact CG2-CE1 3.89Å; I482-F486 HydrophobicContact CG2-CE2 3.72Å; I482-F486 HydrophobicContact CG2-CG 4.29Å; I482-F486 HydrophobicContact CG2-CZ 3.65Å; I482-F486 WeakPolarHBondContact O-CB 3.23Å; I482-F486 WeakPolarHBondContact O-CD1 3.41Å; I482-F486 WeakPolarHBondContact O-CG 3.27Å; I482-F486 PolarHBondContact O-N 3.42Å; I482-F513 HydrophobicContact CG2-CE1 4.48Å; I482-F513 HydrophobicContact CG2-CE2 4.3Å; I482-F513 HydrophobicContact CG2-CZ 4.01Å
483L91.6Very high88.6Confident18 Ų1851.9 Ų51.99%0.09429%0.285CS..Hα-helixtrans-59.1-52178.1-76.9165.8000111.9L479 E480 S485 F486 E487 F513 L515 Y521 L525L479-L483 WeakPolarHBondContact O-CG 3.44Å; L479-L483 PolarHBondContact O-N 2.87Å; E480-L483 PolarHBondContact O-N 3.29Å; L483-S485 VanDerWaalsContact C-N 3.25Å; L483-S485 PolarHBondContact O-N 3.42Å; L483-F486 PolarHBondContact O-N 3.39Å; L483-E487 WeakPolarHBondContact O-CB 3.11Å; L483-E487 PolarHBondContact O-N 3.49Å; L483-F513 HydrophobicContact CD2-CE1 3.73Å; L483-F513 HydrophobicContact CD2-CZ 4.03Å; L483-F513 HydrophobicContact CG-CE1 4.44Å; L483-F513 HydrophobicContact CG-CZ 4.3Å; L483-L515 HydrophobicContact CD1-CD1 3.66Å; L483-L515 HydrophobicContact CD2-CB 4.16Å; L483-L515 HydrophobicContact CD2-CD1 3.64Å; L483-L515 HydrophobicContact CG-CD1 3.9Å; L483-Y521 HydrophobicContact CD2-CD1 4.45Å; L483-Y521 HydrophobicContact CD2-CE1 4.23Å; L483-L525 HydrophobicContact CD2-CD1 3.85Å
484N90.9Very high89.3Confident70 Ų7047.8 Ų47.837%0.37426%0.256SS..Hα-helixtrans-60.2-39.4179.2-69.6-23.3000111.6E480 S488E480-N484 PolarHBondContact O-N 3.1Å; E480-N484 PolarHBondContact O-ND2 2.8Å; N484-S488 VanDerWaalsContact O-CB 3.26Å; N484-S488 WeakPolarHBondContact O-CB 3.19Å; N484-S488 PolarHBondContact O-N 3.36Å; N484-S488 PolarHBondContact O-OG 3.44Å
485S91.8Very high89.8Confident2 Ų245.2 Ų45.21%0.01425%0.249CC..Hα-helixtrans-65.9-43.7177.1176.30000112.5L430 S431 Q481 I482 L483 C489 L490L430-S485 PolarHBondContact O-OG 3.17Å; S431-S485 WeakPolarHBondContact CA-OG 3.31Å; S431-S485 WeakPolarHBondContact CB-OG 3.34Å; S431-S485 PolarHBondContact N-OG 3.04Å; S431-S485 VanDerWaalsContact N-OG 3.08Å; S431-S485 PolarHBondContact OG-OG 2.99Å; Q481-S485 WeakPolarHBondContact O-CB 3.35Å; Q481-S485 PolarHBondContact O-N 3.46Å; I482-S485 WeakPolarHBondContact O-CB 3.49Å; I482-S485 PolarHBondContact O-N 3.22Å; L483-S485 VanDerWaalsContact C-N 3.25Å; L483-S485 PolarHBondContact O-N 3.42Å; S485-C489 WeakPolarHBondContact O-CA 3.39Å; S485-C489 WeakPolarHBondContact O-CB 3.34Å; S485-C489 PolarHBondContact O-N 2.88Å; S485-L490 PolarHBondContact O-N 3.19Å
486F94.3Very high90.2Very high0 Ų045.8 Ų45.80%026%0.257CS..Iπ-helixtrans-65.5-42.5178-74.46.7000111.8W436 I482 L483 L490 I491 L510 F513 L525W436-F486 AromaticContact CE2-CE1 3.65Å; W436-F486 AromaticContact CE2-CZ 3.81Å; W436-F486 HydrophobicContact CH2-CZ 4.14Å; W436-F486 AromaticContact CZ2-CE1 3.63Å; W436-F486 HydrophobicContact CZ2-CE1 3.63Å; W436-F486 AromaticContact CZ2-CZ 3.58Å; W436-F486 HydrophobicContact CZ2-CZ 3.58Å; W436-F486 AromaticContact NE1-CE1 3.56Å; I482-F486 HydrophobicContact CG2-CD1 4.2Å; I482-F486 HydrophobicContact CG2-CD2 4.05Å; I482-F486 HydrophobicContact CG2-CE1 3.89Å; I482-F486 HydrophobicContact CG2-CE2 3.72Å; I482-F486 HydrophobicContact CG2-CG 4.29Å; I482-F486 HydrophobicContact CG2-CZ 3.65Å; I482-F486 WeakPolarHBondContact O-CB 3.23Å; I482-F486 WeakPolarHBondContact O-CD1 3.41Å; I482-F486 WeakPolarHBondContact O-CG 3.27Å; I482-F486 PolarHBondContact O-N 3.42Å; L483-F486 PolarHBondContact O-N 3.39Å; F486-L490 HydrophobicContact CD1-CB 4.26Å; F486-L490 HydrophobicContact CD1-CD2 3.51Å; F486-L490 HydrophobicContact CE1-CD2 3.45Å; F486-L490 VanDerWaalsContact CE1-CD2 3.45Å; F486-L490 HydrophobicContact CG-CD2 4.44Å; F486-L490 HydrophobicContact CZ-CD2 4.34Å; F486-I491 HydrophobicContact CB-CD1 4.4Å; F486-I491 WeakPolarHBondContact O-CB 3.24Å; F486-I491 WeakPolarHBondContact O-CG1 3.2Å; F486-I491 PolarHBondContact O-N 3.41Å; F486-L510 HydrophobicContact CD1-CD2 4.48Å; F486-L510 HydrophobicContact CD2-CD2 4.02Å; F486-L510 HydrophobicContact CE1-CD2 4.17Å; F486-L510 HydrophobicContact CE2-CD2 3.67Å; F486-L510 HydrophobicContact CG-CD2 4.41Å; F486-L510 HydrophobicContact CZ-CD2 3.74Å; F486-F513 AromaticContact CD2-CD1 3.78Å; F486-F513 HydrophobicContact CD2-CD1 3.78Å; F486-F513 AromaticContact CD2-CE1 3.96Å; F486-F513 HydrophobicContact CD2-CE1 3.96Å; F486-F513 HydrophobicContact CD2-CG 4.49Å; F486-F513 HydrophobicContact CE2-CB 4.32Å; F486-F513 AromaticContact CE2-CD1 3.72Å; F486-F513 HydrophobicContact CE2-CD1 3.72Å; F486-F513 HydrophobicContact CE2-CE1 4.11Å; F486-F513 AromaticContact CE2-CG 3.97Å; F486-F513 HydrophobicContact CE2-CG 3.97Å; F486-L525 HydrophobicContact CB-CD2 3.86Å
487E91.6Very high90.6Very high78 Ų7845.3 Ų45.336%0.36425%0.254SS..Iπ-helixtrans-70.8-48.1-178.9-175.3170.5173.500112.6L483 P492 T524 L525L483-E487 WeakPolarHBondContact O-CB 3.11Å; L483-E487 PolarHBondContact O-N 3.49Å; E487-P492 VanDerWaalsContact O-CG 3.31Å; E487-P492 WeakPolarHBondContact O-CG 3.4Å; E487-T524 WeakPolarHBondContact OE1-CB 3.08Å; E487-T524 VanDerWaalsContact OE1-CG2 3.32Å; E487-T524 WeakPolarHBondContact OE1-CG2 3.45Å; E487-L525 HydrophobicContact CB-CD2 3.91Å
488S89.8Confident91Very high85 Ų8540.2 Ų40.259%0.59423%0.23SC*.Iπ-helixtrans-93.4-25.2-169.6-57.90000114.1N484N484-S488 VanDerWaalsContact O-CB 3.26Å; N484-S488 WeakPolarHBondContact O-CB 3.19Å; N484-S488 PolarHBondContact O-N 3.36Å; N484-S488 PolarHBondContact O-OG 3.44Å
489C89.9Confident91Very high37 Ų3742.6 Ų42.625%0.2525%0.246CC..Iπ-helixtrans-122.6-64.3-170.4-62.30000112.4S485 Q493S485-C489 WeakPolarHBondContact O-CA 3.39Å; S485-C489 WeakPolarHBondContact O-CB 3.34Å; S485-C489 PolarHBondContact O-N 2.88Å; C489-Q493 VanDerWaalsContact O-CB 3.23Å; C489-Q493 WeakPolarHBondContact O-CB 3.3Å; C489-Q493 VanDerWaalsContact O-CD 3.23Å; C489-Q493 WeakPolarHBondContact O-CG 3.48Å; C489-Q493 PolarHBondContact O-N 3.35Å; C489-Q493 PolarHBondContact O-NE2 3.13Å
490L93.2Very high91.1Very high5 Ų542.8 Ų42.83%0.02625%0.247CC..Iπ-helixtrans-67.8-55.9-164.2-17664.6000112.8S431 A433 S485 F486 Q493 L494 I506 L510S431-L490 WeakPolarHBondContact O-CD1 3.43Å; A433-L490 HydrophobicContact CB-CD1 3.79Å; S485-L490 PolarHBondContact O-N 3.19Å; F486-L490 HydrophobicContact CD1-CB 4.26Å; F486-L490 HydrophobicContact CD1-CD2 3.51Å; F486-L490 HydrophobicContact CE1-CD2 3.45Å; F486-L490 VanDerWaalsContact CE1-CD2 3.45Å; F486-L490 HydrophobicContact CG-CD2 4.44Å; F486-L490 HydrophobicContact CZ-CD2 4.34Å; L490-Q493 PolarHBondContact O-N 2.53Å; L490-L494 WeakPolarHBondContact O-CG 3.5Å; L490-L494 PolarHBondContact O-N 2.78Å; L490-I506 HydrophobicContact CD2-CD1 4.23Å; L490-L510 HydrophobicContact CD2-CD2 3.94Å
491I94.1Very high91.4Very high5 Ų538.7 Ų38.73%0.02623%0.229CC..THydrogen-bonded Turntrans-64.1-45.8-177.1-64.2170.5000111.9F486 Q493 L494 L510 L525 P528 L529F486-I491 HydrophobicContact CB-CD1 4.4Å; F486-I491 WeakPolarHBondContact O-CB 3.24Å; F486-I491 WeakPolarHBondContact O-CG1 3.2Å; F486-I491 PolarHBondContact O-N 3.41Å; I491-Q493 VanDerWaalsContact C-N 3.26Å; I491-Q493 PolarHBondContact O-N 2.88Å; I491-L494 WeakPolarHBondContact O-CB 3.09Å; I491-L494 WeakPolarHBondContact O-CG 3.43Å; I491-L494 PolarHBondContact O-N 3.02Å; I491-L510 HydrophobicContact CG1-CD1 4.1Å; I491-L525 HydrophobicContact CD1-CB 4.38Å; I491-L525 HydrophobicContact CD1-CD2 3.84Å; I491-P528 HydrophobicContact CG2-CB 3.83Å; I491-L529 HydrophobicContact CD1-CB 4.43Å; I491-L529 HydrophobicContact CG2-CB 4.46Å
492P91.6Very high91.6Very high72 Ų7236.4 Ų36.447%0.46822%0.218SC..THydrogen-bonded Turntrans-61-31.9177.9-25.635.7000114.1E487E487-P492 VanDerWaalsContact O-CG 3.31Å; E487-P492 WeakPolarHBondContact O-CG 3.4Å
493Q89.8Confident91.8Very high110 Ų11036.7 Ų36.751%0.51422%0.221SC..THydrogen-bonded Turntrans-84.7-3.6-177.4-67.9173.227.400114C489 L490 I491 S495C489-Q493 VanDerWaalsContact O-CB 3.23Å; C489-Q493 WeakPolarHBondContact O-CB 3.3Å; C489-Q493 VanDerWaalsContact O-CD 3.23Å; C489-Q493 WeakPolarHBondContact O-CG 3.48Å; C489-Q493 PolarHBondContact O-N 3.35Å; C489-Q493 PolarHBondContact O-NE2 3.13Å; L490-Q493 PolarHBondContact O-N 2.53Å; I491-Q493 VanDerWaalsContact C-N 3.26Å; I491-Q493 PolarHBondContact O-N 2.88Å; Q493-S495 PolarHBondContact O-N 2.92Å; Q493-S495 VanDerWaalsContact O-N 3.16Å
494L92.8Very high92Very high10 Ų1036 Ų365%0.05222%0.217CC..  trans-61.7116.3179.2-69.6178.7000111.9L490 I491 I506 Y507 L510 L529 A532 R535L490-L494 WeakPolarHBondContact O-CG 3.5Å; L490-L494 PolarHBondContact O-N 2.78Å; I491-L494 WeakPolarHBondContact O-CB 3.09Å; I491-L494 WeakPolarHBondContact O-CG 3.43Å; I491-L494 PolarHBondContact O-N 3.02Å; L494-I506 HydrophobicContact CD2-CG1 4.27Å; L494-I506 HydrophobicContact CD2-CG2 3.66Å; L494-Y507 HydrophobicContact CB-CE1 4.4Å; L494-Y507 HydrophobicContact CD1-CD1 4.35Å; L494-Y507 HydrophobicContact CD1-CE1 3.74Å; L494-Y507 HydrophobicContact CG-CE1 4.5Å; L494-L510 HydrophobicContact CD1-CD1 4.15Å; L494-L529 HydrophobicContact CD1-CD1 4.13Å; L494-A532 HydrophobicContact CB-CB 4.23Å; L494-A532 HydrophobicContact CD1-CB 4.09Å; L494-R535 PolarHBondContact O-NH2 3.14Å
495S88.9Confident92.2Very high52 Ų5232.7 Ų32.736%0.36420%0.2SC..  trans-65.4144.2-178.2-178.50000112.9Q493 S497 Y507Q493-S495 PolarHBondContact O-N 2.92Å; Q493-S495 VanDerWaalsContact O-N 3.16Å; S495-S497 VanDerWaalsContact OG-C 3.28Å; S495-S497 PolarHBondContact OG-N 2.6Å; S495-S497 PolarHBondContact OG-O 2.77Å; S495-S497 VanDerWaalsContact OG-O 3.09Å; S495-Y507 PolarHBondContact O-OH 3.41Å; S495-Y507 VanDerWaalsContact O-OH 3.05Å
496S92.2Very high92.4Very high43 Ų4332.7 Ų32.730%0.30120%0.199SC..SBendtrans-68.6-26168.161.70000112.6R535 L536 D537S496-R535 VanDerWaalsContact CB-O 3.3Å; S496-R535 WeakPolarHBondContact CB-O 3.48Å; S496-L536 WeakPolarHBondContact O-CA 3.44Å; S496-D537 PolarHBondContact O-N 3.06Å
497S92.3Very high92.5Very high59 Ų5932.8 Ų32.841%0.41320%0.2SC..SBendtrans-12878.5179.3-140.40000109.4S495 D537S495-S497 VanDerWaalsContact OG-C 3.28Å; S495-S497 PolarHBondContact OG-N 2.6Å; S495-S497 PolarHBondContact OG-O 2.77Å; S495-S497 VanDerWaalsContact OG-O 3.09Å; S497-D537 WeakPolarHBondContact CB-OD2 3.49Å; S497-D537 PolarHBondContact OG-OD2 3.12Å
498P92.1Very high92.7Very high18 Ų1829 Ų2912%0.11718%0.182CC..  trans-58.1138.7174.6-2435.3000110.7D500 A503 M504 Y507 L536P498-D500 VanDerWaalsContact C-N 3.34Å; P498-D500 PolarHBondContact O-N 2.95Å; P498-A503 HydrophobicContact CB-CB 4.09Å; P498-M504 HydrophobicContact CB-CG 3.95Å; P498-M504 HydrophobicContact CB-SD 4.4Å; P498-M504 HydrophobicContact CG-CG 4.05Å; P498-M504 HydrophobicContact CG-SD 3.9Å; P498-Y507 HydrophobicContact CG-CE2 4.19Å; P498-L536 HydrophobicContact CG-CD2 4.01Å
499P87.8Confident93Very high56 Ų5625 Ų2536%0.36415%0.154SC..SBendtrans-69.3-28.3-170.424.2-33.1000114.4S186 E188 I190 A503S186-P499 WeakPolarHBondContact O-CB 3.33Å; E188-P499 VanDerWaalsContact O-CG 3.31Å; E188-P499 WeakPolarHBondContact O-CG 3.45Å; I190-P499 HydrophobicContact CD1-CG 4.2Å; I190-P499 HydrophobicContact CG1-CG 4.35Å; P499-A503 HydrophobicContact CG-CB 4.42Å
500D91.6Very high93.2Very high24 Ų2423.3 Ų23.313%0.12814%0.142CC..SBendtrans-146.7163.4175.2-175.9-96.2000110.2I190 F212 R240 P498 E502 A503I190-D500 HydrophobicContact CD1-CB 3.7Å; I190-D500 HydrophobicContact CG1-CB 4.31Å; F212-D500 HydrophobicContact CE1-CB 4.34Å; F212-D500 HydrophobicContact CZ-CB 4.11Å; R240-D500 IonicContact NH1-OD2 2.82Å; P498-D500 VanDerWaalsContact C-N 3.34Å; P498-D500 PolarHBondContact O-N 2.95Å; D500-E502 PolarHBondContact O-N 3.48Å; D500-E502 WeakPolarHBondContact OD1-CG 3.28Å; D500-E502 PolarHBondContact OD1-N 3.46Å; D500-A503 WeakPolarHBondContact O-CB 3.46Å; D500-A503 PolarHBondContact O-N 3.27Å; D500-A503 VanDerWaalsContact O-N 3.12Å
501V93.1Very high93.3Very high17 Ų1723.4 Ų23.410%0.10314%0.144CC..G310 helixtrans-57.3-30.7174-63.70000112.5T451 P453 A503 M504 V543 W547T451-V501 HydrophobicContact CG2-CG2 4.01Å; P453-V501 HydrophobicContact CG-CG1 4.01Å; V501-A503 VanDerWaalsContact C-N 3.25Å; V501-A503 PolarHBondContact O-N 3.06Å; V501-M504 VanDerWaalsContact O-CB 3.29Å; V501-M504 WeakPolarHBondContact O-CB 3.31Å; V501-M504 PolarHBondContact O-N 3.49Å; V501-V543 HydrophobicContact CG1-CG1 4.13Å; V501-W547 HydrophobicContact CB-CH2 4.33Å; V501-W547 HydrophobicContact CB-CZ2 4.09Å; V501-W547 VanDerWaalsContact O-CH2 3.27Å; V501-W547 WeakPolarHBondContact O-CH2 3.49Å
502E94.4Very high93.3Very high2 Ų223.8 Ų23.81%0.00915%0.145CC..G310 helixtrans-61-33.8176.6-70.2-163.7-126.100113.2I190 S206 S208 A210 N437 T451 D500 M504 R505I190-E502 HydrophobicContact CG2-CB 4.33Å; S206-E502 VanDerWaalsContact CB-OE1 3.28Å; S206-E502 WeakPolarHBondContact CB-OE1 3.45Å; S206-E502 PolarHBondContact OG-OE1 2.83Å; S206-E502 PolarHBondContact OG-OE2 3.09Å; S208-E502 VanDerWaalsContact CB-CD 3.5Å; S208-E502 WeakPolarHBondContact CB-OE1 3.43Å; S208-E502 VanDerWaalsContact CB-OE2 3.26Å; S208-E502 WeakPolarHBondContact CB-OE2 3.45Å; S208-E502 VanDerWaalsContact OG-CD 3.25Å; S208-E502 PolarHBondContact OG-OE2 2.94Å; A210-E502 VanDerWaalsContact CB-OE1 3.3Å; A210-E502 WeakPolarHBondContact CB-OE1 3.14Å; N437-E502 PolarHBondContact ND2-O 3.3Å; T451-E502 HydrophobicContact CG2-CG 3.98Å; D500-E502 PolarHBondContact O-N 3.48Å; D500-E502 WeakPolarHBondContact OD1-CG 3.28Å; D500-E502 PolarHBondContact OD1-N 3.46Å; E502-M504 PolarHBondContact O-N 3.07Å; E502-R505 WeakPolarHBondContact O-CD 3.31Å; E502-R505 IonicContact OE2-CZ 3.77Å; E502-R505 IonicContact OE2-NH1 2.73Å; E502-R505 PolarHBondContact OE2-NH1 3.26Å; E502-R505 IonicContact OE2-NH2 3.71Å
503A94.8Very high93.3Very high8 Ų820.4 Ų20.47%0.06612%0.123CC..G310 helixtrans-70-20.917700000112.6I190 N437 P498 P499 D500 V501 I506I190-A503 HydrophobicContact CG1-CB 4.23Å; N437-A503 WeakPolarHBondContact ND2-CA 3.49Å; N437-A503 PolarHBondContact ND2-O 3.3Å; N437-A503 VanDerWaalsContact ND2-O 3.08Å; P498-A503 HydrophobicContact CB-CB 4.09Å; P499-A503 HydrophobicContact CG-CB 4.42Å; D500-A503 WeakPolarHBondContact O-CB 3.46Å; D500-A503 PolarHBondContact O-N 3.27Å; D500-A503 VanDerWaalsContact O-N 3.12Å; V501-A503 VanDerWaalsContact C-N 3.25Å; V501-A503 PolarHBondContact O-N 3.06Å; A503-I506 WeakPolarHBondContact O-CG2 3.5Å
504M95.3Very high93.4Very high4 Ų417 Ų172%0.0211%0.11CC..G310 helixtrans-78.8-15-177.7-67.6-109-66.800114.4P498 V501 E502 I506 Y507 P540 V543 L544 W547P498-M504 HydrophobicContact CB-CG 3.95Å; P498-M504 HydrophobicContact CB-SD 4.4Å; P498-M504 HydrophobicContact CG-CG 4.05Å; P498-M504 HydrophobicContact CG-SD 3.9Å; V501-M504 VanDerWaalsContact O-CB 3.29Å; V501-M504 WeakPolarHBondContact O-CB 3.31Å; V501-M504 PolarHBondContact O-N 3.49Å; E502-M504 PolarHBondContact O-N 3.07Å; M504-I506 PolarHBondContact O-N 3.07Å; M504-Y507 HydrophobicContact CB-CD2 4.36Å; M504-Y507 WeakPolarHBondContact O-CD2 3.14Å; M504-Y507 PolarHBondContact O-N 3.49Å; M504-Y507 HydrophobicContact SD-CD2 4.24Å; M504-Y507 HydrophobicContact SD-CE2 4.26Å; M504-P540 HydrophobicContact CE-CB 4.14Å; M504-P540 WeakPolarHBondContact CE-O 3.3Å; M504-P540 HydrophobicContact SD-CB 3.65Å; M504-V543 HydrophobicContact CE-CB 3.69Å; M504-V543 HydrophobicContact CE-CG1 3.7Å; M504-L544 HydrophobicContact CE-CB 4.19Å; M504-W547 HydrophobicContact CB-CH2 3.73Å; M504-W547 HydrophobicContact CB-CZ3 3.55Å; M504-W547 HydrophobicContact CE-CZ3 4.48Å
505R95.7Very high93.3Very high0 Ų017.5 Ų17.50%011%0.113CC..G310 helixtrans-55.2-27.8-178.3-70.1165.4173.8154-5.3112.4S208 N437 L441 T451 P456 I458 E502 Y507 L508 I509 W547S208-R505 PolarHBondContact OG-NH1 2.95Å; S208-R505 PolarHBondContact OG-NH2 2.96Å; N437-R505 HydrophobicContact CB-CB 4.35Å; N437-R505 WeakPolarHBondContact OD1-CB 3.43Å; L441-R505 VanDerWaalsContact CD2-NH1 3.31Å; T451-R505 PolarHBondContact OG1-NH2 3.01Å; P456-R505 PolarHBondContact O-NE 2.91Å; I458-R505 HydrophobicContact CD1-CB 4.44Å; I458-R505 HydrophobicContact CG2-CB 4.09Å; I458-R505 HydrophobicContact CG2-CG 3.65Å; E502-R505 WeakPolarHBondContact O-CD 3.31Å; E502-R505 IonicContact OE2-CZ 3.77Å; E502-R505 IonicContact OE2-NH1 2.73Å; E502-R505 PolarHBondContact OE2-NH1 3.26Å; E502-R505 IonicContact OE2-NH2 3.71Å; R505-Y507 PolarHBondContact O-N 3.42Å; R505-L508 WeakPolarHBondContact O-CA 3.42Å; R505-L508 WeakPolarHBondContact O-CB 3.18Å; R505-L508 PolarHBondContact O-N 3.39Å; R505-I509 HydrophobicContact CB-CD1 4.19Å; R505-I509 WeakPolarHBondContact O-CG1 3.35Å; R505-I509 PolarHBondContact O-N 2.88Å; R505-W547 HydrophobicContact CG-CH2 4.47Å
506I96.1Very high93.4Very high1 Ų115.1 Ų15.11%0.00510%0.096CC..Hα-helixtrans-58.4-33.3179.9-163.957.7000112.5A433 W436 N437 L490 L494 A503 M504 L508 I509 L510A433-I506 HydrophobicContact CB-CG1 4.41Å; W436-I506 HydrophobicContact CB-CD1 3.65Å; W436-I506 HydrophobicContact CG-CD1 4.14Å; N437-I506 WeakPolarHBondContact OD1-CA 3.37Å; N437-I506 WeakPolarHBondContact OD1-CB 3.45Å; N437-I506 PolarHBondContact OD1-N 2.8Å; L490-I506 HydrophobicContact CD2-CD1 4.23Å; L494-I506 HydrophobicContact CD2-CG1 4.27Å; L494-I506 HydrophobicContact CD2-CG2 3.66Å; A503-I506 WeakPolarHBondContact O-CG2 3.5Å; M504-I506 PolarHBondContact O-N 3.07Å; I506-L508 PolarHBondContact O-N 3.08Å; I506-I509 HydrophobicContact CD1-CB 4.48Å; I506-I509 PolarHBondContact O-N 3.36Å; I506-L510 HydrophobicContact CD1-CD1 4.36Å; I506-L510 HydrophobicContact CD1-CD2 4.18Å; I506-L510 HydrophobicContact CD1-CG 3.93Å; I506-L510 HydrophobicContact CG1-CD1 3.88Å; I506-L510 HydrophobicContact CG1-CG 3.94Å; I506-L510 WeakPolarHBondContact O-CG 3.2Å; I506-L510 PolarHBondContact O-N 3.3Å
507Y95.8Very high93.2Very high2 Ų217.2 Ų17.21%0.00810%0.101CC..Hα-helixtrans-69.8-18.5176.8-62.8-72.4000113.3L494 S495 P498 M504 R505 P511 L529 A532 I533 L536L494-Y507 HydrophobicContact CB-CE1 4.4Å; L494-Y507 HydrophobicContact CD1-CD1 4.35Å; L494-Y507 HydrophobicContact CD1-CE1 3.74Å; L494-Y507 HydrophobicContact CG-CE1 4.5Å; S495-Y507 PolarHBondContact O-OH 3.41Å; S495-Y507 VanDerWaalsContact O-OH 3.05Å; P498-Y507 HydrophobicContact CG-CE2 4.19Å; M504-Y507 HydrophobicContact CB-CD2 4.36Å; M504-Y507 WeakPolarHBondContact O-CD2 3.14Å; M504-Y507 PolarHBondContact O-N 3.49Å; M504-Y507 HydrophobicContact SD-CD2 4.24Å; M504-Y507 HydrophobicContact SD-CE2 4.26Å; R505-Y507 PolarHBondContact O-N 3.42Å; Y507-P511 VanDerWaalsContact O-CD 3.29Å; Y507-P511 WeakPolarHBondContact O-CD 3.32Å; Y507-P511 WeakPolarHBondContact O-CG 3.46Å; Y507-L529 HydrophobicContact CD1-CD1 4.43Å; Y507-A532 HydrophobicContact CE1-CB 4.49Å; Y507-I533 HydrophobicContact CD1-CD1 4.45Å; Y507-I533 HydrophobicContact CD1-CG1 3.57Å; Y507-I533 HydrophobicContact CE1-CG1 4.06Å; Y507-I533 HydrophobicContact CG-CG1 4.48Å; Y507-L536 HydrophobicContact CD2-CD1 4.45Å; Y507-L536 HydrophobicContact CE1-CD1 4.48Å; Y507-L536 HydrophobicContact CE2-CD1 4.24Å; Y507-L536 HydrophobicContact CE2-CD2 3.93Å; Y507-L536 WeakPolarHBondContact OH-CD2 3.43Å
508L95.9Very high93.1Very high0 Ų017.5 Ų17.50%010%0.098CC..Hα-helixtrans-92.6-32.6171.6-62.7179.7000112.3P456 I458 L460 R505 I506 L544 W547 Y555P456-L508 HydrophobicContact CB-CD1 3.77Å; P456-L508 HydrophobicContact CG-CD1 4.06Å; I458-L508 HydrophobicContact CD1-CB 3.88Å; I458-L508 HydrophobicContact CD1-CD1 3.99Å; L460-L508 HydrophobicContact CD2-CB 4.18Å; R505-L508 WeakPolarHBondContact O-CA 3.42Å; R505-L508 WeakPolarHBondContact O-CB 3.18Å; R505-L508 PolarHBondContact O-N 3.39Å; I506-L508 PolarHBondContact O-N 3.08Å; L508-L544 HydrophobicContact CD2-CD1 3.9Å; L508-L544 HydrophobicContact CG-CD1 4.39Å; L508-W547 HydrophobicContact CD1-CB 4.22Å; L508-W547 HydrophobicContact CD1-CD2 4.22Å; L508-W547 HydrophobicContact CD1-CE3 3.64Å; L508-W547 HydrophobicContact CD1-CZ3 4.22Å; L508-W547 HydrophobicContact CG-CE3 4.13Å; L508-Y555 WeakPolarHBondContact CA-OH 3.42Å; L508-Y555 WeakPolarHBondContact O-CE2 3.39Å; L508-Y555 PolarHBondContact O-OH 3.15Å
509I95.6Very high92.8Very high0 Ų019.4 Ų19.40%011%0.112CC..Hα-helixtrans-72.6-49.6-178.4-68.4162.3000111.4W436 F440 I458 T463 F467 R505 I506 E512W436-I509 HydrophobicContact CE3-CG2 4.5Å; F440-I509 HydrophobicContact CD2-CD1 3.88Å; F440-I509 HydrophobicContact CD2-CG1 4.05Å; F440-I509 HydrophobicContact CD2-CG2 4.13Å; F440-I509 HydrophobicContact CE2-CG2 3.8Å; I458-I509 HydrophobicContact CD1-CG1 4.26Å; T463-I509 HydrophobicContact CG2-CB 4.46Å; T463-I509 HydrophobicContact CG2-CG2 3.89Å; F467-I509 HydrophobicContact CE2-CG2 4.28Å; F467-I509 HydrophobicContact CZ-CG2 4.26Å; R505-I509 HydrophobicContact CB-CD1 4.19Å; R505-I509 WeakPolarHBondContact O-CG1 3.35Å; R505-I509 PolarHBondContact O-N 2.88Å; I506-I509 HydrophobicContact CD1-CB 4.48Å; I506-I509 PolarHBondContact O-N 3.36Å; I509-E512 PolarHBondContact O-N 3.36Å; I509-E512 VanDerWaalsContact O-N 3.11Å
510L95.2Very high92.8Very high1 Ų123.5 Ų23.51%0.00512%0.124CC..G310 helixtrans-57.9-41.3-173.9-69.8174.5000113.9F486 L490 I491 L494 I506 E512 F513 L529F486-L510 HydrophobicContact CD1-CD2 4.48Å; F486-L510 HydrophobicContact CD2-CD2 4.02Å; F486-L510 HydrophobicContact CE1-CD2 4.17Å; F486-L510 HydrophobicContact CE2-CD2 3.67Å; F486-L510 HydrophobicContact CG-CD2 4.41Å; F486-L510 HydrophobicContact CZ-CD2 3.74Å; L490-L510 HydrophobicContact CD2-CD2 3.94Å; I491-L510 HydrophobicContact CG1-CD1 4.1Å; L494-L510 HydrophobicContact CD1-CD1 4.15Å; I506-L510 HydrophobicContact CD1-CD1 4.36Å; I506-L510 HydrophobicContact CD1-CD2 4.18Å; I506-L510 HydrophobicContact CD1-CG 3.93Å; I506-L510 HydrophobicContact CG1-CD1 3.88Å; I506-L510 HydrophobicContact CG1-CG 3.94Å; I506-L510 WeakPolarHBondContact O-CG 3.2Å; I506-L510 PolarHBondContact O-N 3.3Å; L510-E512 PolarHBondContact O-N 2.92Å; L510-F513 WeakPolarHBondContact O-CB 3.34Å; L510-F513 PolarHBondContact O-N 3.5Å; L510-L529 HydrophobicContact CB-CD1 4.41Å; L510-L529 HydrophobicContact CB-CD2 3.91Å; L510-L529 HydrophobicContact CD1-CD1 3.78Å
511P94.4Very high92.7Very high8 Ų824.3 Ų24.35%0.05213%0.126CC..G310 helixtrans-62.7-17.7177.4-25.635.5000116.1Y507 F513 L529 L559Y507-P511 VanDerWaalsContact O-CD 3.29Å; Y507-P511 WeakPolarHBondContact O-CD 3.32Å; Y507-P511 WeakPolarHBondContact O-CG 3.46Å; P511-F513 VanDerWaalsContact C-N 3.26Å; P511-L529 HydrophobicContact CG-CD2 4.22Å; P511-L559 HydrophobicContact CB-CD1 3.72Å; P511-L559 HydrophobicContact CG-CD1 3.96Å
512E93.4Very high92.6Very high13 Ų1324.7 Ų24.76%0.06113%0.125CC..G310 helixtrans-78.6-9.5173.1-80-70.3173.900112.9T463 F467 I509 L510 P514 Y555 K558T463-E512 HydrophobicContact CG2-CB 4.04Å; F467-E512 HydrophobicContact CD2-CB 4.05Å; F467-E512 HydrophobicContact CE2-CB 4.24Å; I509-E512 PolarHBondContact O-N 3.36Å; I509-E512 VanDerWaalsContact O-N 3.11Å; L510-E512 PolarHBondContact O-N 2.92Å; E512-P514 VanDerWaalsContact O-CD 3.22Å; E512-P514 WeakPolarHBondContact O-CD 3.17Å; E512-Y555 HydrophobicContact CG-CD2 4.04Å; E512-Y555 HydrophobicContact CG-CE2 3.85Å; E512-Y555 WeakPolarHBondContact OE1-CD2 3.48Å; E512-K558 IonicContact OE1-NZ 4Å; E512-K558 IonicContact OE2-NZ 3.31Å; E512-K558 PolarHBondContact OE2-NZ 3.37Å
513F93.6Very high92.3Very high0 Ų027 Ų270%014%0.137CC..  trans-72.1115.8178.7-178.7-129.7000110.6F467 L479 I482 L483 F486 L510 P511 L515 L516F467-F513 HydrophobicContact CB-CD2 4.49Å; F467-F513 HydrophobicContact CD1-CB 4.44Å; F467-F513 AromaticContact CD1-CD2 3.53Å; F467-F513 HydrophobicContact CD1-CD2 3.53Å; F467-F513 HydrophobicContact CD1-CE2 4.23Å; F467-F513 HydrophobicContact CD1-CG 4.4Å; F467-F513 HydrophobicContact CD2-CB 4.21Å; F467-F513 HydrophobicContact CE1-CB 4.24Å; F467-F513 AromaticContact CE1-CD2 3.76Å; F467-F513 HydrophobicContact CE1-CD2 3.76Å; F467-F513 HydrophobicContact CE1-CG 4.3Å; F467-F513 HydrophobicContact CE2-CB 3.99Å; F467-F513 HydrophobicContact CG-CB 4.45Å; F467-F513 AromaticContact CG-CD2 4Å; F467-F513 HydrophobicContact CG-CD2 4Å; F467-F513 HydrophobicContact CZ-CB 4.01Å; F467-F513 HydrophobicContact CZ-CD2 4.39Å; L479-F513 HydrophobicContact CD1-CE2 3.7Å; L479-F513 HydrophobicContact CD1-CZ 3.78Å; I482-F513 HydrophobicContact CG2-CE1 4.48Å; I482-F513 HydrophobicContact CG2-CE2 4.3Å; I482-F513 HydrophobicContact CG2-CZ 4.01Å; L483-F513 HydrophobicContact CD2-CE1 3.73Å; L483-F513 HydrophobicContact CD2-CZ 4.03Å; L483-F513 HydrophobicContact CG-CE1 4.44Å; L483-F513 HydrophobicContact CG-CZ 4.3Å; F486-F513 AromaticContact CD2-CD1 3.78Å; F486-F513 HydrophobicContact CD2-CD1 3.78Å; F486-F513 AromaticContact CD2-CE1 3.96Å; F486-F513 HydrophobicContact CD2-CE1 3.96Å; F486-F513 HydrophobicContact CD2-CG 4.49Å; F486-F513 HydrophobicContact CE2-CB 4.32Å; F486-F513 AromaticContact CE2-CD1 3.72Å; F486-F513 HydrophobicContact CE2-CD1 3.72Å; F486-F513 HydrophobicContact CE2-CE1 4.11Å; F486-F513 AromaticContact CE2-CG 3.97Å; F486-F513 HydrophobicContact CE2-CG 3.97Å; L510-F513 WeakPolarHBondContact O-CB 3.34Å; L510-F513 PolarHBondContact O-N 3.5Å; P511-F513 VanDerWaalsContact C-N 3.26Å; F513-L515 VanDerWaalsContact C-N 3.26Å; F513-L515 HydrophobicContact CD1-CB 4.31Å; F513-L515 HydrophobicContact CE1-CB 3.8Å; F513-L515 HydrophobicContact CE1-CD1 4.24Å; F513-L515 HydrophobicContact CE1-CG 4.44Å; F513-L515 HydrophobicContact CE2-CD1 4.47Å; F513-L515 HydrophobicContact CZ-CB 4.05Å; F513-L515 HydrophobicContact CZ-CD1 3.75Å; F513-L515 HydrophobicContact CZ-CG 4.19Å; F513-L515 PolarHBondContact O-N 3.34Å; F513-L515 VanDerWaalsContact O-N 3.11Å; F513-L516 HydrophobicContact CB-CD1 3.96Å; F513-L516 HydrophobicContact CD1-CD1 3.42Å; F513-L516 VanDerWaalsContact CD1-CD1 3.42Å; F513-L516 HydrophobicContact CE1-CD1 4.39Å; F513-L516 HydrophobicContact CG-CD1 4.14Å; F513-L516 PolarHBondContact O-N 2.96Å; F513-L516 VanDerWaalsContact O-N 3.09Å
514P91.5Very high92Very high38 Ų3828.7 Ų28.725%0.24715%0.147CC..G310 helixtrans-58.7-32-168.1-29.436.2000115F467 M471 E512 L516 Q517F467-P514 HydrophobicContact CB-CG 4.34Å; M471-P514 HydrophobicContact CG-CB 4.3Å; M471-P514 HydrophobicContact CG-CG 4.05Å; M471-P514 HydrophobicContact SD-CB 4.35Å; M471-P514 HydrophobicContact SD-CG 4.46Å; E512-P514 VanDerWaalsContact O-CD 3.22Å; E512-P514 WeakPolarHBondContact O-CD 3.17Å; P514-L516 PolarHBondContact O-N 3.33Å; P514-Q517 WeakPolarHBondContact O-CB 3.35Å; P514-Q517 PolarHBondContact O-N 3.35Å
515L90.6Very high91.8Very high22 Ų2228.5 Ų28.512%0.11515%0.146CC..G310 helixtrans-70.5-14.2-177.4-67.8174.1000113.8M471 L479 L483 F513 Q517 D518 Y521M471-L515 HydrophobicContact CE-CD1 4.22Å; M471-L515 HydrophobicContact CE-CD2 3.75Å; M471-L515 HydrophobicContact CE-CG 3.91Å; M471-L515 HydrophobicContact SD-CD1 4.28Å; M471-L515 HydrophobicContact SD-CG 4.06Å; L479-L515 HydrophobicContact CD1-CD1 4.02Å; L479-L515 HydrophobicContact CD2-CD1 4.21Å; L479-L515 HydrophobicContact CG-CD1 4.18Å; L483-L515 HydrophobicContact CD1-CD1 3.66Å; L483-L515 HydrophobicContact CD2-CB 4.16Å; L483-L515 HydrophobicContact CD2-CD1 3.64Å; L483-L515 HydrophobicContact CG-CD1 3.9Å; F513-L515 VanDerWaalsContact C-N 3.26Å; F513-L515 HydrophobicContact CD1-CB 4.31Å; F513-L515 HydrophobicContact CE1-CB 3.8Å; F513-L515 HydrophobicContact CE1-CD1 4.24Å; F513-L515 HydrophobicContact CE1-CG 4.44Å; F513-L515 HydrophobicContact CE2-CD1 4.47Å; F513-L515 HydrophobicContact CZ-CB 4.05Å; F513-L515 HydrophobicContact CZ-CD1 3.75Å; F513-L515 HydrophobicContact CZ-CG 4.19Å; F513-L515 PolarHBondContact O-N 3.34Å; F513-L515 VanDerWaalsContact O-N 3.11Å; L515-Q517 PolarHBondContact O-N 2.99Å; L515-D518 PolarHBondContact O-N 3.03Å; L515-Y521 HydrophobicContact CB-CD2 4.29Å; L515-Y521 HydrophobicContact CD2-CE2 4.25Å
516L90.7Very high91.8Very high1 Ų128.5 Ų28.51%0.00515%0.146CC..G310 helixtrans-64.6-25.3168.6-88.669.9000111.8F513 P514 D518 Y522 L525 T526 L529 L562F513-L516 HydrophobicContact CB-CD1 3.96Å; F513-L516 HydrophobicContact CD1-CD1 3.42Å; F513-L516 VanDerWaalsContact CD1-CD1 3.42Å; F513-L516 HydrophobicContact CE1-CD1 4.39Å; F513-L516 HydrophobicContact CG-CD1 4.14Å; F513-L516 PolarHBondContact O-N 2.96Å; F513-L516 VanDerWaalsContact O-N 3.09Å; P514-L516 PolarHBondContact O-N 3.33Å; L516-D518 VanDerWaalsContact C-N 3.32Å; L516-Y522 WeakPolarHBondContact O-CD1 3.09Å; L516-Y522 WeakPolarHBondContact O-CE1 3.25Å; L516-L525 HydrophobicContact CD1-CB 4.32Å; L516-L525 HydrophobicContact CD1-CD1 4.2Å; L516-L525 HydrophobicContact CG-CB 4.29Å; L516-T526 PolarHBondContact O-OG1 3.37Å; L516-L529 HydrophobicContact CD2-CD2 3.58Å; L516-L562 VanDerWaalsContact C-CD1 3.49Å; L516-L562 HydrophobicContact CB-CD1 4.09Å; L516-L562 HydrophobicContact CB-CD2 4.39Å; L516-L562 HydrophobicContact CD2-CD2 4.5Å; L516-L562 WeakPolarHBondContact O-CD1 3.25Å
517Q88.7Confident91.6Very high88 Ų8828.5 Ų28.541%0.41115%0.146SC..G310 helixtrans-80.2-15.1179.9-60.6-178.90.200112.7P514 L515 Y522 L562P514-Q517 WeakPolarHBondContact O-CB 3.35Å; P514-Q517 PolarHBondContact O-N 3.35Å; L515-Q517 PolarHBondContact O-N 2.99Å; Q517-Y522 VanDerWaalsContact O-CE1 3.3Å; Q517-Y522 WeakPolarHBondContact O-CE1 3.18Å; Q517-Y522 PolarHBondContact O-OH 3.16Å; Q517-L562 HydrophobicContact CB-CD1 4.5Å; Q517-L562 HydrophobicContact CG-CD1 4.08Å
518D89.2Confident91.5Very high65 Ų6530 Ų3035%0.34816%0.155SC..SBendtrans-79.2127.6177.8-177.2-8.3000111L515 L516 K520 Y521 Y522L515-D518 PolarHBondContact O-N 3.03Å; L516-D518 VanDerWaalsContact C-N 3.32Å; D518-K520 PolarHBondContact O-N 2.95Å; D518-K520 PolarHBondContact OD1-N 2.88Å; D518-Y521 HydrophobicContact CB-CD2 4.1Å; D518-Y521 PolarHBondContact O-N 3.17Å; D518-Y522 VanDerWaalsContact O-CD1 3.26Å; D518-Y522 WeakPolarHBondContact O-CD1 3.23Å; D518-Y522 WeakPolarHBondContact O-CE1 3.49Å
519S86.8Confident91.5Very high57 Ų5730 Ų3040%0.39916%0.155SC..G310 helixtrans-48.6-30.8175.863.80000114.8Y521S519-Y521 VanDerWaalsContact C-N 3.26Å; S519-Y521 PolarHBondContact O-N 3.05Å
520K87.6Confident91.5Very high142 Ų14230 Ų3062%0.61716%0.155SC*.G310 helixtrans-62.9-32.2178.8-173.7-178.2175.3-168.30112.7D518D518-K520 PolarHBondContact O-N 2.95Å; D518-K520 PolarHBondContact OD1-N 2.88Å
521Y89.5Confident91.5Very high42 Ų4233.2 Ų33.217%0.16517%0.171CC..G310 helixtrans-106.36.2-172.6-59.6-76.3000113.5L483 L515 D518 S519 I523 T524 L525 T526L483-Y521 HydrophobicContact CD2-CD1 4.45Å; L483-Y521 HydrophobicContact CD2-CE1 4.23Å; L515-Y521 HydrophobicContact CB-CD2 4.29Å; L515-Y521 HydrophobicContact CD2-CE2 4.25Å; D518-Y521 HydrophobicContact CB-CD2 4.1Å; D518-Y521 PolarHBondContact O-N 3.17Å; S519-Y521 VanDerWaalsContact C-N 3.26Å; S519-Y521 PolarHBondContact O-N 3.05Å; Y521-I523 VanDerWaalsContact C-N 3.31Å; Y521-I523 PolarHBondContact O-N 3.31Å; Y521-T524 PolarHBondContact O-N 2.9Å; Y521-L525 HydrophobicContact CD1-CD1 4.31Å; Y521-L525 HydrophobicContact CG-CD1 4.31Å; Y521-L525 PolarHBondContact O-N 3.14Å; Y521-T526 PolarHBondContact O-N 3.11Å
522Y90.6Very high91.5Very high24 Ų2433 Ų339%0.09417%0.171CC..Iπ-helixtrans-60.4-41-180-72.7-9.6000112.8L516 Q517 D518 T526 I527 L562 G565 A566 Y569L516-Y522 WeakPolarHBondContact O-CD1 3.09Å; L516-Y522 WeakPolarHBondContact O-CE1 3.25Å; Q517-Y522 VanDerWaalsContact O-CE1 3.3Å; Q517-Y522 WeakPolarHBondContact O-CE1 3.18Å; Q517-Y522 PolarHBondContact O-OH 3.16Å; D518-Y522 VanDerWaalsContact O-CD1 3.26Å; D518-Y522 WeakPolarHBondContact O-CD1 3.23Å; D518-Y522 WeakPolarHBondContact O-CE1 3.49Å; Y522-T526 HydrophobicContact CD1-CG2 4.44Å; Y522-T526 PolarHBondContact O-N 3.22Å; Y522-I527 WeakPolarHBondContact O-CB 3.45Å; Y522-I527 VanDerWaalsContact O-CG1 3.29Å; Y522-I527 WeakPolarHBondContact O-CG1 3.24Å; Y522-I527 PolarHBondContact O-N 2.63Å; Y522-L562 HydrophobicContact CE1-CD1 4.42Å; Y522-G565 VanDerWaalsContact CE2-C 3.42Å; Y522-G565 WeakPolarHBondContact CE2-O 3.19Å; Y522-A566 HydrophobicContact CD2-CB 4.24Å; Y522-A566 HydrophobicContact CG-CB 4.37Å; Y522-Y569 VanDerWaalsContact CD2-CB 3.48Å; Y522-Y569 AromaticContact CD2-CD1 3.94Å; Y522-Y569 HydrophobicContact CD2-CD1 3.94Å; Y522-Y569 HydrophobicContact CD2-CD2 4.29Å; Y522-Y569 AromaticContact CD2-CG 3.65Å; Y522-Y569 HydrophobicContact CD2-CG 3.65Å; Y522-Y569 HydrophobicContact CE2-CG 4.25Å
523I88.1Confident91.6Very high50 Ų5032.4 Ų32.426%0.25617%0.168SC..Iπ-helixtrans-73-36.9-178.6-55.5173.3000111.4Y521 P528 Y569 F577 Y586Y521-I523 VanDerWaalsContact C-N 3.31Å; Y521-I523 PolarHBondContact O-N 3.31Å; I523-P528 WeakPolarHBondContact O-CD 3.33Å; I523-P528 WeakPolarHBondContact O-CG 3.5Å; I523-Y569 HydrophobicContact CD1-CE1 4.07Å; I523-Y569 HydrophobicContact CG1-CE1 4.02Å; I523-F577 HydrophobicContact CD1-CE1 3.73Å; I523-F577 HydrophobicContact CD1-CZ 3.63Å; I523-F577 HydrophobicContact CG1-CZ 4.47Å; I523-Y586 HydrophobicContact CG2-CE2 4.1Å
524T88.4Confident91.7Very high45 Ų4535.4 Ų35.428%0.27618%0.183SC..Iπ-helixtrans-91.9-28.4-171.957.10000113.7E487 Y521 P528E487-T524 WeakPolarHBondContact OE1-CB 3.08Å; E487-T524 VanDerWaalsContact OE1-CG2 3.32Å; E487-T524 WeakPolarHBondContact OE1-CG2 3.45Å; Y521-T524 PolarHBondContact O-N 2.9Å; T524-P528 WeakPolarHBondContact O-CG 3.47Å
525L91.8Very high91.9Very high0 Ų039.8 Ų39.80%020%0.195CC..Iπ-helixtrans-118.7-58.9-177.7-62.4179.6000112.7L483 F486 E487 I491 L516 Y521 P528 L529L483-L525 HydrophobicContact CD2-CD1 3.85Å; F486-L525 HydrophobicContact CB-CD2 3.86Å; E487-L525 HydrophobicContact CB-CD2 3.91Å; I491-L525 HydrophobicContact CD1-CB 4.38Å; I491-L525 HydrophobicContact CD1-CD2 3.84Å; L516-L525 HydrophobicContact CD1-CB 4.32Å; L516-L525 HydrophobicContact CD1-CD1 4.2Å; L516-L525 HydrophobicContact CG-CB 4.29Å; Y521-L525 HydrophobicContact CD1-CD1 4.31Å; Y521-L525 HydrophobicContact CG-CD1 4.31Å; Y521-L525 PolarHBondContact O-N 3.14Å; L525-P528 WeakPolarHBondContact O-CD 3.41Å; L525-L529 WeakPolarHBondContact O-CB 3.47Å; L525-L529 PolarHBondContact O-N 3.09Å
526T93.7Very high92.1Very high0 Ų039.3 Ų39.30%019%0.193CC..Iπ-helixtrans-66.7-45.7-166.9-52.50000112.9L516 Y521 Y522 A530 L562 Y563 A566L516-T526 PolarHBondContact O-OG1 3.37Å; Y521-T526 PolarHBondContact O-N 3.11Å; Y522-T526 HydrophobicContact CD1-CG2 4.44Å; Y522-T526 PolarHBondContact O-N 3.22Å; T526-A530 PolarHBondContact O-N 3.37Å; T526-L562 HydrophobicContact CG2-CD1 3.69Å; T526-L562 HydrophobicContact CG2-CD2 4.18Å; T526-L562 HydrophobicContact CG2-CG 3.8Å; T526-Y563 HydrophobicContact CG2-CD1 4.06Å; T526-Y563 HydrophobicContact CG2-CE1 3.63Å; T526-A566 HydrophobicContact CG2-CB 4.39Å
527I92.9Very high92.3Very high1 Ų142.6 Ų42.61%0.00521%0.21CC..Hα-helixtrans-71.9-44.2178-62.7-62.7000111.8Y522 L529 A530 M531 A566 L570 Y586 A590Y522-I527 WeakPolarHBondContact O-CB 3.45Å; Y522-I527 VanDerWaalsContact O-CG1 3.29Å; Y522-I527 WeakPolarHBondContact O-CG1 3.24Å; Y522-I527 PolarHBondContact O-N 2.63Å; I527-L529 VanDerWaalsContact C-N 3.28Å; I527-L529 PolarHBondContact O-N 3.09Å; I527-A530 WeakPolarHBondContact O-CA 3.26Å; I527-A530 WeakPolarHBondContact O-CB 3.35Å; I527-A530 PolarHBondContact O-N 3.03Å; I527-M531 HydrophobicContact CG2-CE 4.05Å; I527-M531 HydrophobicContact CG2-CG 4.43Å; I527-M531 HydrophobicContact CG2-SD 4.41Å; I527-M531 WeakPolarHBondContact O-CG 3.49Å; I527-M531 PolarHBondContact O-N 3.35Å; I527-A566 HydrophobicContact CD1-CB 4.09Å; I527-L570 HydrophobicContact CD1-CD1 4.11Å; I527-Y586 HydrophobicContact CG2-CD1 3.6Å; I527-Y586 HydrophobicContact CG2-CE1 4.36Å; I527-Y586 HydrophobicContact CG2-CG 3.81Å; I527-A590 HydrophobicContact CD1-CB 3.76Å
528P93.9Very high92.6Very high32 Ų3243.3 Ų43.321%0.20822%0.221CC..Hα-helixtrans-55.3-39.8170.7-32.941.1000113.9I491 I523 T524 L525 M531 A532I491-P528 HydrophobicContact CG2-CB 3.83Å; I523-P528 WeakPolarHBondContact O-CD 3.33Å; I523-P528 WeakPolarHBondContact O-CG 3.5Å; T524-P528 WeakPolarHBondContact O-CG 3.47Å; L525-P528 WeakPolarHBondContact O-CD 3.41Å; P528-M531 HydrophobicContact CB-CE 4.35Å; P528-M531 HydrophobicContact CG-CE 4.2Å; P528-M531 PolarHBondContact O-N 3.34Å; P528-A532 WeakPolarHBondContact O-CB 3.38Å; P528-A532 PolarHBondContact O-N 3.06Å
529L95.8Very high92.8Very high0 Ų045.7 Ų45.70%023%0.233CC..Hα-helixtrans-63.2-43172.618060.4000111.7I491 L494 Y507 L510 P511 L516 L525 I527 M531 A532 I533I491-L529 HydrophobicContact CD1-CB 4.43Å; I491-L529 HydrophobicContact CG2-CB 4.46Å; L494-L529 HydrophobicContact CD1-CD1 4.13Å; Y507-L529 HydrophobicContact CD1-CD1 4.43Å; L510-L529 HydrophobicContact CB-CD1 4.41Å; L510-L529 HydrophobicContact CB-CD2 3.91Å; L510-L529 HydrophobicContact CD1-CD1 3.78Å; P511-L529 HydrophobicContact CG-CD2 4.22Å; L516-L529 HydrophobicContact CD2-CD2 3.58Å; L525-L529 WeakPolarHBondContact O-CB 3.47Å; L525-L529 PolarHBondContact O-N 3.09Å; I527-L529 VanDerWaalsContact C-N 3.28Å; I527-L529 PolarHBondContact O-N 3.09Å; L529-M531 VanDerWaalsContact C-N 3.34Å; L529-M531 PolarHBondContact O-N 3.47Å; L529-A532 PolarHBondContact O-N 3.2Å; L529-I533 HydrophobicContact CD1-CD1 4.28Å; L529-I533 HydrophobicContact CD1-CG1 4.45Å; L529-I533 HydrophobicContact CG-CD1 4.08Å; L529-I533 WeakPolarHBondContact O-CG1 3.46Å; L529-I533 PolarHBondContact O-N 3.46Å
530A95.5Very high93.2Very high0 Ų043.8 Ų43.80%022%0.22CC..Hα-helixtrans-60.5-44.1176.100000112.3T526 I527 A532 I533 L534 Y563 L593T526-A530 PolarHBondContact O-N 3.37Å; I527-A530 WeakPolarHBondContact O-CA 3.26Å; I527-A530 WeakPolarHBondContact O-CB 3.35Å; I527-A530 PolarHBondContact O-N 3.03Å; A530-A532 VanDerWaalsContact C-N 3.34Å; A530-A532 PolarHBondContact O-N 3.22Å; A530-I533 PolarHBondContact O-N 2.83Å; A530-L534 WeakPolarHBondContact O-CB 3.49Å; A530-L534 VanDerWaalsContact O-CG 3.28Å; A530-L534 WeakPolarHBondContact O-CG 3.39Å; A530-L534 PolarHBondContact O-N 3.25Å; A530-Y563 HydrophobicContact CB-CD1 4.41Å; A530-Y563 HydrophobicContact CB-CE1 3.71Å; A530-L593 HydrophobicContact CB-CB 4.41Å; A530-L593 HydrophobicContact CB-CD2 3.41Å; A530-L593 VanDerWaalsContact CB-CD2 3.41Å
531M94.1Very high93.6Very high69 Ų6938.2 Ų38.234%0.3420%0.198SC..Hα-helixtrans-63.2-40.3176.2-68.5-173.6-65.900111.7I527 P528 L529 L534 R535 Y586 A589I527-M531 HydrophobicContact CG2-CE 4.05Å; I527-M531 HydrophobicContact CG2-CG 4.43Å; I527-M531 HydrophobicContact CG2-SD 4.41Å; I527-M531 WeakPolarHBondContact O-CG 3.49Å; I527-M531 PolarHBondContact O-N 3.35Å; P528-M531 HydrophobicContact CB-CE 4.35Å; P528-M531 HydrophobicContact CG-CE 4.2Å; P528-M531 PolarHBondContact O-N 3.34Å; L529-M531 VanDerWaalsContact C-N 3.34Å; L529-M531 PolarHBondContact O-N 3.47Å; M531-L534 PolarHBondContact O-N 3.13Å; M531-R535 WeakPolarHBondContact O-CB 3.37Å; M531-R535 PolarHBondContact O-N 2.99Å; M531-Y586 HydrophobicContact CE-CD1 4.21Å; M531-Y586 HydrophobicContact CE-CE1 3.89Å; M531-Y586 HydrophobicContact SD-CD1 4.11Å; M531-Y586 HydrophobicContact SD-CE1 4.15Å; M531-A589 HydrophobicContact CG-CB 3.62Å
532A94.9Very high93.9Very high5 Ų542.3 Ų42.34%0.04122%0.217CC..Hα-helixtrans-61.9-43.7175.200000111.8L494 Y507 P528 L529 A530 R535L494-A532 HydrophobicContact CB-CB 4.23Å; L494-A532 HydrophobicContact CD1-CB 4.09Å; Y507-A532 HydrophobicContact CE1-CB 4.49Å; P528-A532 WeakPolarHBondContact O-CB 3.38Å; P528-A532 PolarHBondContact O-N 3.06Å; L529-A532 PolarHBondContact O-N 3.2Å; A530-A532 VanDerWaalsContact C-N 3.34Å; A530-A532 PolarHBondContact O-N 3.22Å; A532-R535 PolarHBondContact O-N 3.41Å
533I96.1Very high94.1Very high0 Ų042 Ų420%022%0.218CC..Hα-helixtrans-63.4-43.8175.7-68.2165.4000111.4Y507 L529 A530 R535 L536 L544 W548 L593Y507-I533 HydrophobicContact CD1-CD1 4.45Å; Y507-I533 HydrophobicContact CD1-CG1 3.57Å; Y507-I533 HydrophobicContact CE1-CG1 4.06Å; Y507-I533 HydrophobicContact CG-CG1 4.48Å; L529-I533 HydrophobicContact CD1-CD1 4.28Å; L529-I533 HydrophobicContact CD1-CG1 4.45Å; L529-I533 HydrophobicContact CG-CD1 4.08Å; L529-I533 WeakPolarHBondContact O-CG1 3.46Å; L529-I533 PolarHBondContact O-N 3.46Å; A530-I533 PolarHBondContact O-N 2.83Å; I533-R535 PolarHBondContact O-N 3.05Å; I533-L536 VanDerWaalsContact O-CB 3.27Å; I533-L536 WeakPolarHBondContact O-CB 3.35Å; I533-L536 WeakPolarHBondContact O-CG 3.34Å; I533-L536 PolarHBondContact O-N 3.42Å; I533-L544 HydrophobicContact CG2-CD2 3.78Å; I533-W548 HydrophobicContact CD1-CZ2 4.49Å; I533-W548 HydrophobicContact CG2-CH2 3.95Å; I533-L593 HydrophobicContact CB-CD1 4.45Å; I533-L593 HydrophobicContact CD1-CD2 4.35Å; I533-L593 HydrophobicContact CG2-CD1 3.81Å
534L94.9Very high94.5Very high62 Ų6239.7 Ų39.733%0.32521%0.206SC..Hα-helixtrans-70.6-21.1179.9-70173.4000113.2A530 M531 L536 A589 K592 L593A530-L534 WeakPolarHBondContact O-CB 3.49Å; A530-L534 VanDerWaalsContact O-CG 3.28Å; A530-L534 WeakPolarHBondContact O-CG 3.39Å; A530-L534 PolarHBondContact O-N 3.25Å; M531-L534 PolarHBondContact O-N 3.13Å; L534-L536 VanDerWaalsContact C-N 3.28Å; L534-A589 HydrophobicContact CD1-CB 4.12Å; L534-A589 VanDerWaalsContact CD1-O 3.27Å; L534-A589 WeakPolarHBondContact CD1-O 3.29Å; L534-K592 HydrophobicContact CD1-CB 3.79Å; L534-K592 HydrophobicContact CD2-CB 4.01Å; L534-L593 HydrophobicContact CD1-CB 4.5Å
535R95.3Very high94.8Very high131 Ų13138.8 Ų38.849%0.49420%0.199SC..THydrogen-bonded Turntrans-77.6-11.9174.3-170.7175.962.8-170.3-2.3112.9L494 S496 M531 A532 I533 D537L494-R535 PolarHBondContact O-NH2 3.14Å; S496-R535 VanDerWaalsContact CB-O 3.3Å; S496-R535 WeakPolarHBondContact CB-O 3.48Å; M531-R535 WeakPolarHBondContact O-CB 3.37Å; M531-R535 PolarHBondContact O-N 2.99Å; A532-R535 PolarHBondContact O-N 3.41Å; I533-R535 PolarHBondContact O-N 3.05Å; R535-D537 PolarHBondContact O-N 3.28Å
536L95.9Very high95Very high12 Ų1242 Ų426%0.06322%0.217CC..SBendtrans-59.2136.8-179.7-73174.9000112.2S496 P498 Y507 I533 L534 P540 L544S496-L536 WeakPolarHBondContact O-CA 3.44Å; P498-L536 HydrophobicContact CG-CD2 4.01Å; Y507-L536 HydrophobicContact CD2-CD1 4.45Å; Y507-L536 HydrophobicContact CE1-CD1 4.48Å; Y507-L536 HydrophobicContact CE2-CD1 4.24Å; Y507-L536 HydrophobicContact CE2-CD2 3.93Å; Y507-L536 WeakPolarHBondContact OH-CD2 3.43Å; I533-L536 VanDerWaalsContact O-CB 3.27Å; I533-L536 WeakPolarHBondContact O-CB 3.35Å; I533-L536 WeakPolarHBondContact O-CG 3.34Å; I533-L536 PolarHBondContact O-N 3.42Å; L534-L536 VanDerWaalsContact C-N 3.28Å; L536-P540 HydrophobicContact CB-CB 4.31Å; L536-P540 HydrophobicContact CD2-CB 4.06Å; L536-L544 HydrophobicContact CD1-CD2 4.03Å
537D95.6Very high95.1Very high70 Ų7042.1 Ų42.137%0.37422%0.217SC..  trans-60160.7173.5-69.7-17.5000111.4S496 S497 R535 N539 P540 S541S496-D537 PolarHBondContact O-N 3.06Å; S497-D537 WeakPolarHBondContact CB-OD2 3.49Å; S497-D537 PolarHBondContact OG-OD2 3.12Å; R535-D537 PolarHBondContact O-N 3.28Å; D537-N539 VanDerWaalsContact C-N 3.26Å; D537-N539 PolarHBondContact O-N 3.06Å; D537-N539 VanDerWaalsContact O-N 3.11Å; D537-P540 HydrophobicContact CB-CG 4.26Å; D537-P540 WeakPolarHBondContact O-CD 3.48Å; D537-S541 WeakPolarHBondContact O-CB 3.45Å; D537-S541 PolarHBondContact O-N 2.66Å
538T93.9Very high95.3Very high103 Ų10342.1 Ų42.163%0.63222%0.217SC*.Hα-helixtrans-53.7-37.6-174.157.40000114.3K542T538-K542 VanDerWaalsContact O-CG 3.25Å; T538-K542 WeakPolarHBondContact O-CG 3.37Å; T538-K542 PolarHBondContact O-N 3.14Å
539N94.3Very high95.3Very high114 Ų11441.6 Ų41.661%0.6121%0.214SC*.Hα-helixtrans-73.7-57.5-179.4-73.6-23.5000112.4D537 S541 K542 V543D537-N539 VanDerWaalsContact C-N 3.26Å; D537-N539 PolarHBondContact O-N 3.06Å; D537-N539 VanDerWaalsContact O-N 3.11Å; N539-S541 VanDerWaalsContact C-N 3.27Å; N539-S541 PolarHBondContact O-N 3.29Å; N539-K542 PolarHBondContact O-N 3.39Å; N539-K542 VanDerWaalsContact O-N 3.16Å; N539-V543 PolarHBondContact O-N 2.78Å; N539-V543 VanDerWaalsContact O-N 3.14Å
540P94.9Very high95.1Very high18 Ų1846.7 Ų46.712%0.11724%0.238CC..Hα-helixtrans-49.1-45.8169.8-30.535.2000113.3M504 L536 D537 K542 V543 L544M504-P540 HydrophobicContact CE-CB 4.14Å; M504-P540 WeakPolarHBondContact CE-O 3.3Å; M504-P540 HydrophobicContact SD-CB 3.65Å; L536-P540 HydrophobicContact CB-CB 4.31Å; L536-P540 HydrophobicContact CD2-CB 4.06Å; D537-P540 HydrophobicContact CB-CG 4.26Å; D537-P540 WeakPolarHBondContact O-CD 3.48Å; P540-K542 VanDerWaalsContact C-N 3.3Å; P540-K542 PolarHBondContact O-N 3.15Å; P540-V543 WeakPolarHBondContact O-CB 3.24Å; P540-V543 PolarHBondContact O-N 3.32Å; P540-L544 PolarHBondContact O-N 3.49Å
541S95.4Very high94.9Very high24 Ų2447.4 Ų47.417%0.16824%0.243CC..Hα-helixtrans-59.6-37.7-179.3-167.80000113.1D537 N539 D545 K596D537-S541 WeakPolarHBondContact O-CB 3.45Å; D537-S541 PolarHBondContact O-N 2.66Å; N539-S541 VanDerWaalsContact C-N 3.27Å; N539-S541 PolarHBondContact O-N 3.29Å; S541-D545 VanDerWaalsContact O-CG 3.3Å; S541-D545 PolarHBondContact O-N 3.44Å; S541-D545 VanDerWaalsContact O-N 3.13Å; S541-K596 PolarHBondContact O-NZ 3.43Å; S541-K596 PolarHBondContact OG-NZ 3.05Å
542K95.3Very high94.8Very high128 Ų12847.2 Ų47.256%0.55725%0.247SC*.Hα-helixtrans-70.3-36.2174-75.1171.3-175.9177.20113T538 N539 P540 L544 D545 N546T538-K542 VanDerWaalsContact O-CG 3.25Å; T538-K542 WeakPolarHBondContact O-CG 3.37Å; T538-K542 PolarHBondContact O-N 3.14Å; N539-K542 PolarHBondContact O-N 3.39Å; N539-K542 VanDerWaalsContact O-N 3.16Å; P540-K542 VanDerWaalsContact C-N 3.3Å; P540-K542 PolarHBondContact O-N 3.15Å; K542-L544 VanDerWaalsContact C-N 3.35Å; K542-D545 PolarHBondContact O-N 3.01Å; K542-N546 VanDerWaalsContact O-CG 3.25Å; K542-N546 PolarHBondContact O-N 2.79Å; K542-N546 PolarHBondContact O-ND2 3.06Å
543V95.8Very high94.7Very high19 Ų1950.4 Ų50.412%0.11527%0.267CS..Hα-helixtrans-63.6-44.5175.51720000110.1P453 V501 M504 N539 P540 D545 N546 W547P453-V543 HydrophobicContact CB-CG1 4.5Å; P453-V543 HydrophobicContact CB-CG2 3.93Å; P453-V543 HydrophobicContact CG-CG2 4.47Å; V501-V543 HydrophobicContact CG1-CG1 4.13Å; M504-V543 HydrophobicContact CE-CB 3.69Å; M504-V543 HydrophobicContact CE-CG1 3.7Å; N539-V543 PolarHBondContact O-N 2.78Å; N539-V543 VanDerWaalsContact O-N 3.14Å; P540-V543 WeakPolarHBondContact O-CB 3.24Å; P540-V543 PolarHBondContact O-N 3.32Å; V543-D545 VanDerWaalsContact C-N 3.35Å; V543-D545 PolarHBondContact O-N 2.73Å; V543-N546 WeakPolarHBondContact O-CB 3.35Å; V543-N546 PolarHBondContact O-N 3.18Å; V543-W547 HydrophobicContact CG1-CD2 4.02Å; V543-W547 HydrophobicContact CG1-CE3 4.45Å; V543-W547 HydrophobicContact CG1-CH2 4.37Å; V543-W547 HydrophobicContact CG1-CZ2 3.86Å; V543-W547 PolarHBondContact O-N 3.02Å
544L96.4Very high94.5Very high0 Ų058.4 Ų58.40%030%0.302CS..Hα-helixtrans-62.5-41.1176.8-172.959.8000111.9M504 L508 I533 L536 P540 K542 N546 W547 W548M504-L544 HydrophobicContact CE-CB 4.19Å; L508-L544 HydrophobicContact CD2-CD1 3.9Å; L508-L544 HydrophobicContact CG-CD1 4.39Å; I533-L544 HydrophobicContact CG2-CD2 3.78Å; L536-L544 HydrophobicContact CD1-CD2 4.03Å; P540-L544 PolarHBondContact O-N 3.49Å; K542-L544 VanDerWaalsContact C-N 3.35Å; L544-N546 VanDerWaalsContact C-N 3.32Å; L544-N546 PolarHBondContact O-N 2.87Å; L544-W547 HydrophobicContact CD1-CE3 4.38Å; L544-W547 PolarHBondContact O-N 3.03Å; L544-W548 HydrophobicContact CD1-CD2 4.36Å; L544-W548 HydrophobicContact CD1-CZ2 4.15Å; L544-W548 HydrophobicContact CD2-CH2 3.68Å; L544-W548 HydrophobicContact CD2-CZ2 3.62Å; L544-W548 HydrophobicContact CD2-CZ3 4.24Å; L544-W548 HydrophobicContact CG-CD2 4.01Å; L544-W548 HydrophobicContact CG-CE3 4.19Å; L544-W548 HydrophobicContact CG-CH2 4.01Å; L544-W548 HydrophobicContact CG-CZ2 3.79Å; L544-W548 HydrophobicContact CG-CZ3 4.21Å; L544-W548 PolarHBondContact O-N 2.78Å
545D95.4Very high94.5Very high26 Ų2655.7 Ų55.714%0.13929%0.288CS..Hα-helixtrans-58.9-42.3173.8-70.9-23.8000112.4S541 K542 V543 W547 W548 S549 K596 V600S541-D545 VanDerWaalsContact O-CG 3.3Å; S541-D545 PolarHBondContact O-N 3.44Å; S541-D545 VanDerWaalsContact O-N 3.13Å; K542-D545 PolarHBondContact O-N 3.01Å; V543-D545 VanDerWaalsContact C-N 3.35Å; V543-D545 PolarHBondContact O-N 2.73Å; D545-W547 VanDerWaalsContact C-N 3.33Å; D545-W548 PolarHBondContact O-N 2.78Å; D545-S549 WeakPolarHBondContact O-CB 3.47Å; D545-S549 PolarHBondContact O-N 2.69Å; D545-S549 PolarHBondContact O-OG 3.4Å; D545-K596 WeakPolarHBondContact OD1-CE 3.36Å; D545-K596 IonicContact OD1-NZ 2.77Å; D545-K596 PolarHBondContact OD1-NZ 2.71Å; D545-K596 IonicContact OD2-NZ 2.78Å; D545-K596 PolarHBondContact OD2-NZ 2.69Å; D545-V600 HydrophobicContact CB-CG2 3.99Å
546N95.5Very high94.5Very high69 Ų6949.4 Ų49.437%0.36926%0.264SS..Hα-helixtrans-67.6-33.5177.6-70-22000112.4K542 V543 L544 S549 Q550K542-N546 VanDerWaalsContact O-CG 3.25Å; K542-N546 PolarHBondContact O-N 2.79Å; K542-N546 PolarHBondContact O-ND2 3.06Å; V543-N546 WeakPolarHBondContact O-CB 3.35Å; V543-N546 PolarHBondContact O-N 3.18Å; L544-N546 VanDerWaalsContact C-N 3.32Å; L544-N546 PolarHBondContact O-N 2.87Å; N546-S549 WeakPolarHBondContact O-CB 3.2Å; N546-S549 PolarHBondContact O-N 3.41Å; N546-Q550 PolarHBondContact O-NE2 3.35Å
547W95.8Very high94.4Very high1 Ų152.8 Ų52.80%0.00428%0.28CS..Hα-helixtrans-72.4-45174.9-70.5-11.1000111.8S452 P453 K454 P456 V501 M504 R505 L508 V543 L544 D545 S549 Q550 V551S452-W547 PolarHBondContact O-NE1 2.87Å; P453-W547 PolarHBondContact O-NE1 3.12Å; K454-W547 VanDerWaalsContact O-CD1 3.27Å; P456-W547 HydrophobicContact CB-CD2 3.88Å; P456-W547 HydrophobicContact CB-CE3 4.16Å; P456-W547 HydrophobicContact CB-CG 4.3Å; P456-W547 HydrophobicContact CB-CH2 4.17Å; P456-W547 HydrophobicContact CB-CZ2 3.96Å; P456-W547 HydrophobicContact CB-CZ3 4.29Å; P456-W547 HydrophobicContact CG-CG 4.48Å; V501-W547 HydrophobicContact CB-CH2 4.33Å; V501-W547 HydrophobicContact CB-CZ2 4.09Å; V501-W547 VanDerWaalsContact O-CH2 3.27Å; V501-W547 WeakPolarHBondContact O-CH2 3.49Å; M504-W547 HydrophobicContact CB-CH2 3.73Å; M504-W547 HydrophobicContact CB-CZ3 3.55Å; M504-W547 HydrophobicContact CE-CZ3 4.48Å; R505-W547 HydrophobicContact CG-CH2 4.47Å; L508-W547 HydrophobicContact CD1-CB 4.22Å; L508-W547 HydrophobicContact CD1-CD2 4.22Å; L508-W547 HydrophobicContact CD1-CE3 3.64Å; L508-W547 HydrophobicContact CD1-CZ3 4.22Å; L508-W547 HydrophobicContact CG-CE3 4.13Å; V543-W547 HydrophobicContact CG1-CD2 4.02Å; V543-W547 HydrophobicContact CG1-CE3 4.45Å; V543-W547 HydrophobicContact CG1-CH2 4.37Å; V543-W547 HydrophobicContact CG1-CZ2 3.86Å; V543-W547 PolarHBondContact O-N 3.02Å; L544-W547 HydrophobicContact CD1-CE3 4.38Å; L544-W547 PolarHBondContact O-N 3.03Å; D545-W547 VanDerWaalsContact C-N 3.33Å; W547-S549 PolarHBondContact O-N 3.3Å; W547-Q550 WeakPolarHBondContact O-CA 3.35Å; W547-Q550 PolarHBondContact O-N 3.37Å; W547-V551 WeakPolarHBondContact O-CG1 3.41Å; W547-V551 PolarHBondContact O-N 3.01Å; W547-V551 VanDerWaalsContact O-N 3.1Å
548W95.9Very high94.3Very high1 Ų152.8 Ų52.80%0.00428%0.277CS..Hα-helixtrans-61.7-21172.5-73-26000113.6I533 L544 D545 Q550 V551 F556 L559 L593 K596 L597 V600 H606I533-W548 HydrophobicContact CD1-CZ2 4.49Å; I533-W548 HydrophobicContact CG2-CH2 3.95Å; L544-W548 HydrophobicContact CD1-CD2 4.36Å; L544-W548 HydrophobicContact CD1-CZ2 4.15Å; L544-W548 HydrophobicContact CD2-CH2 3.68Å; L544-W548 HydrophobicContact CD2-CZ2 3.62Å; L544-W548 HydrophobicContact CD2-CZ3 4.24Å; L544-W548 HydrophobicContact CG-CD2 4.01Å; L544-W548 HydrophobicContact CG-CE3 4.19Å; L544-W548 HydrophobicContact CG-CH2 4.01Å; L544-W548 HydrophobicContact CG-CZ2 3.79Å; L544-W548 HydrophobicContact CG-CZ3 4.21Å; L544-W548 PolarHBondContact O-N 2.78Å; D545-W548 PolarHBondContact O-N 2.78Å; W548-Q550 VanDerWaalsContact C-N 3.26Å; W548-V551 WeakPolarHBondContact O-CG2 3.46Å; W548-F556 HydrophobicContact CB-CE2 4.38Å; W548-L559 HydrophobicContact CD2-CD2 4.41Å; W548-L559 HydrophobicContact CZ2-CD2 3.96Å; W548-L593 HydrophobicContact CH2-CD1 3.84Å; W548-L593 HydrophobicContact CZ3-CD1 4.49Å; W548-K596 HydrophobicContact CH2-CD 4.41Å; W548-K596 HydrophobicContact CZ3-CD 3.82Å; W548-K596 HydrophobicContact CZ3-CG 4Å; W548-L597 HydrophobicContact CD2-CD2 3.94Å; W548-L597 HydrophobicContact CE3-CD2 3.75Å; W548-L597 HydrophobicContact CH2-CD2 4.09Å; W548-L597 HydrophobicContact CZ2-CD2 4.29Å; W548-L597 HydrophobicContact CZ3-CD2 3.81Å; W548-V600 HydrophobicContact CB-CG1 4Å; W548-V600 HydrophobicContact CE3-CG2 4.33Å; W548-H606 PolarHBondContact O-CD2 2.66Å; W548-H606 PolarHBondContact O-NE2 2.87Å
549S94.3Very high94.3Very high21 Ų2148 Ų4815%0.14725%0.248CC..THydrogen-bonded Turntrans-75.2-12.5171.2-59.60000113.3D545 N546 W547 H606D545-S549 WeakPolarHBondContact O-CB 3.47Å; D545-S549 PolarHBondContact O-N 2.69Å; D545-S549 PolarHBondContact O-OG 3.4Å; N546-S549 WeakPolarHBondContact O-CB 3.2Å; N546-S549 PolarHBondContact O-N 3.41Å; W547-S549 PolarHBondContact O-N 3.3Å; S549-H606 VanDerWaalsContact C-NE2 3.34Å; S549-H606 PolarHBondContact O-NE2 3.08Å
550Q91.1Very high94.4Very high108 Ų10842.6 Ų42.651%0.50522%0.219SC..THydrogen-bonded Turntrans-118.6-8.9-175.3-72.2173.162.600113.5K454 N546 W547 W548K454-Q550 PolarHBondContact O-NE2 3.17Å; K454-Q550 PolarHBondContact O-OE1 2.87Å; N546-Q550 PolarHBondContact O-NE2 3.35Å; W547-Q550 WeakPolarHBondContact O-CA 3.35Å; W547-Q550 PolarHBondContact O-N 3.37Å; W548-Q550 VanDerWaalsContact C-N 3.26Å
551V92.3Very high94.3Very high15 Ų1545.3 Ų45.39%0.09123%0.232CC..SBendtrans-67163.9175.7-61.80000111.3L460 W547 W548 Y555 F556 H606L460-V551 HydrophobicContact CD1-CG1 4.18Å; W547-V551 WeakPolarHBondContact O-CG1 3.41Å; W547-V551 PolarHBondContact O-N 3.01Å; W547-V551 VanDerWaalsContact O-N 3.1Å; W548-V551 WeakPolarHBondContact O-CG2 3.46Å; V551-Y555 HydrophobicContact CB-CD1 3.85Å; V551-Y555 HydrophobicContact CB-CG 4.35Å; V551-Y555 HydrophobicContact CG1-CD1 4Å; V551-Y555 HydrophobicContact CG1-CE1 4.22Å; V551-Y555 HydrophobicContact CG2-CD1 3.67Å; V551-Y555 HydrophobicContact CG2-CE1 4.39Å; V551-Y555 HydrophobicContact CG2-CG 4.48Å; V551-F556 HydrophobicContact CG2-CB 4.13Å; V551-F556 HydrophobicContact CG2-CD2 4.25Å; V551-H606 PolarHBondContact O-CE1 2.75Å
552C91.6Very high94.3Very high64 Ų6444.4 Ų44.443%0.43223%0.226SC..  trans-69.3146.9176.669.90000111.3K554 Y555 F556C552-K554 PolarHBondContact O-N 3.4Å; C552-K554 VanDerWaalsContact O-N 3.1Å; C552-Y555 WeakPolarHBondContact O-CB 3.24Å; C552-Y555 PolarHBondContact O-N 2.84Å; C552-Y555 VanDerWaalsContact SG-CB 3.54Å; C552-Y555 PolarHBondContact SG-N 3.05Å; C552-Y555 VanDerWaalsContact SG-N 3.41Å; C552-F556 PolarHBondContact O-N 3.26Å; C552-F556 VanDerWaalsContact O-N 3.14Å
553P93.1Very high94.3Very high72 Ų7238.3 Ų38.347%0.46820%0.199SC..Hα-helixtrans-53.4-34.3178-30.636.7000114F556 M557P553-F556 PolarHBondContact O-N 3.32Å; P553-M557 WeakPolarHBondContact O-CB 3.22Å; P553-M557 PolarHBondContact O-N 2.91Å
554K92.3Very high94.2Very high169 Ų16939 Ų3974%0.73520%0.201SC*.Hα-helixtrans-63.5-43.4177.5-65.8-175.6-179.9-179.70112.6C552 K558C552-K554 PolarHBondContact O-N 3.4Å; C552-K554 VanDerWaalsContact O-N 3.1Å; K554-K558 WeakPolarHBondContact O-CG 3.46Å; K554-K558 PolarHBondContact O-N 3.32Å; K554-K558 VanDerWaalsContact O-N 3.14Å
555Y93.9Very high93.9Very high4 Ų439.9 Ų39.92%0.01621%0.209CC..Hα-helixtrans-63.7-47.6175.6175-83.6000110.2L460 L508 E512 V551 C552 M557 K558 L559L460-Y555 HydrophobicContact CD1-CD2 4Å; L460-Y555 HydrophobicContact CD1-CE2 4.22Å; L460-Y555 HydrophobicContact CD1-CG 4.37Å; L460-Y555 HydrophobicContact CD2-CE2 4.31Å; L508-Y555 WeakPolarHBondContact CA-OH 3.42Å; L508-Y555 WeakPolarHBondContact O-CE2 3.39Å; L508-Y555 PolarHBondContact O-OH 3.15Å; E512-Y555 HydrophobicContact CG-CD2 4.04Å; E512-Y555 HydrophobicContact CG-CE2 3.85Å; E512-Y555 WeakPolarHBondContact OE1-CD2 3.48Å; V551-Y555 HydrophobicContact CB-CD1 3.85Å; V551-Y555 HydrophobicContact CB-CG 4.35Å; V551-Y555 HydrophobicContact CG1-CD1 4Å; V551-Y555 HydrophobicContact CG1-CE1 4.22Å; V551-Y555 HydrophobicContact CG2-CD1 3.67Å; V551-Y555 HydrophobicContact CG2-CE1 4.39Å; V551-Y555 HydrophobicContact CG2-CG 4.48Å; C552-Y555 WeakPolarHBondContact O-CB 3.24Å; C552-Y555 PolarHBondContact O-N 2.84Å; C552-Y555 VanDerWaalsContact SG-CB 3.54Å; C552-Y555 PolarHBondContact SG-N 3.05Å; C552-Y555 VanDerWaalsContact SG-N 3.41Å; Y555-M557 VanDerWaalsContact C-N 3.35Å; Y555-M557 PolarHBondContact O-N 3.21Å; Y555-K558 WeakPolarHBondContact O-CB 3.37Å; Y555-K558 PolarHBondContact O-N 2.96Å; Y555-L559 HydrophobicContact CE1-CD2 4.21Å; Y555-L559 PolarHBondContact O-N 3.37Å
556F95.3Very high93.7Very high0 Ų038.7 Ų38.70%020%0.203CC..Hα-helixtrans-60.1-44.8-179.3-166.3-90.5000111.8W548 V551 C552 P553 K558 L559 V560 L597 V600 N601 H606 V607 F612W548-F556 HydrophobicContact CB-CE2 4.38Å; V551-F556 HydrophobicContact CG2-CB 4.13Å; V551-F556 HydrophobicContact CG2-CD2 4.25Å; C552-F556 PolarHBondContact O-N 3.26Å; C552-F556 VanDerWaalsContact O-N 3.14Å; P553-F556 PolarHBondContact O-N 3.32Å; F556-K558 PolarHBondContact O-N 3.47Å; F556-L559 WeakPolarHBondContact O-CB 3.27Å; F556-L559 PolarHBondContact O-N 3.1Å; F556-V560 HydrophobicContact CD1-CG2 4.07Å; F556-V560 HydrophobicContact CE1-CG2 3.82Å; F556-V560 WeakPolarHBondContact O-CG2 3.43Å; F556-V560 PolarHBondContact O-N 3.04Å; F556-L597 HydrophobicContact CE2-CD2 4.16Å; F556-L597 HydrophobicContact CZ-CB 4.2Å; F556-L597 HydrophobicContact CZ-CD2 4.46Å; F556-L597 WeakPolarHBondContact CZ-O 3.45Å; F556-V600 HydrophobicContact CE2-CB 4.28Å; F556-V600 HydrophobicContact CE2-CG1 3.86Å; F556-V600 HydrophobicContact CZ-CB 4.45Å; F556-V600 HydrophobicContact CZ-CG1 4.36Å; F556-N601 HydrophobicContact CE1-CB 3.9Å; F556-N601 HydrophobicContact CZ-CB 3.93Å; F556-H606 HydrophobicContact CB-CB 4.13Å; F556-H606 HydrophobicContact CD1-CB 3.74Å; F556-H606 AromaticContact CD2-CD2 3.74Å; F556-H606 HydrophobicContact CE1-CB 4.29Å; F556-H606 HydrophobicContact CG-CB 3.89Å; F556-H606 AromaticContact CG-CD2 3.9Å; F556-V607 HydrophobicContact CD1-CG1 4.25Å; F556-V607 HydrophobicContact CD1-CG2 4.16Å; F556-V607 HydrophobicContact CE1-CG2 4.13Å; F556-F612 HydrophobicContact CE1-CZ 4.11Å
557M94.4Very high93.5Very high83 Ų8335.4 Ų35.441%0.40919%0.185SC..Hα-helixtrans-60.4-43.7175.9-174.6-174.2-112.800112.3P553 Y555 L559 V560 N561 V607 T611P553-M557 WeakPolarHBondContact O-CB 3.22Å; P553-M557 PolarHBondContact O-N 2.91Å; Y555-M557 VanDerWaalsContact C-N 3.35Å; Y555-M557 PolarHBondContact O-N 3.21Å; M557-L559 VanDerWaalsContact C-N 3.29Å; M557-L559 PolarHBondContact O-N 3.14Å; M557-V560 PolarHBondContact O-N 3.04Å; M557-N561 WeakPolarHBondContact O-CB 3.42Å; M557-N561 PolarHBondContact O-N 3.28Å; M557-N561 PolarHBondContact O-ND2 2.92Å; M557-V607 HydrophobicContact CB-CG1 3.9Å; M557-V607 HydrophobicContact CG-CG1 4.38Å; M557-T611 HydrophobicContact CE-CG2 4.22Å; M557-T611 HydrophobicContact CG-CG2 4.44Å
558K92.8Very high93.2Very high69 Ų6936.6 Ų36.630%0.319%0.192SC..Hα-helixtrans-58.8-42.3175-76178175.8-171.70111.7R464 E512 K554 Y555 F556 N561 L562R464-K558 VanDerWaalsContact CD-NZ 3.33Å; E512-K558 IonicContact OE1-NZ 4Å; E512-K558 IonicContact OE2-NZ 3.31Å; E512-K558 PolarHBondContact OE2-NZ 3.37Å; K554-K558 WeakPolarHBondContact O-CG 3.46Å; K554-K558 PolarHBondContact O-N 3.32Å; K554-K558 VanDerWaalsContact O-N 3.14Å; Y555-K558 WeakPolarHBondContact O-CB 3.37Å; Y555-K558 PolarHBondContact O-N 2.96Å; F556-K558 PolarHBondContact O-N 3.47Å; K558-N561 PolarHBondContact O-N 3.32Å; K558-L562 VanDerWaalsContact O-CB 3.31Å; K558-L562 WeakPolarHBondContact O-CB 3.18Å; K558-L562 PolarHBondContact O-N 2.88Å
559L94.6Very high92.8Very high3 Ų340.3 Ų40.32%0.01621%0.206CC..Hα-helixtrans-65.1-41.7179.9-16964.2000111.7P511 W548 Y555 F556 M557 L562 Y563 L597P511-L559 HydrophobicContact CB-CD1 3.72Å; P511-L559 HydrophobicContact CG-CD1 3.96Å; W548-L559 HydrophobicContact CD2-CD2 4.41Å; W548-L559 HydrophobicContact CZ2-CD2 3.96Å; Y555-L559 HydrophobicContact CE1-CD2 4.21Å; Y555-L559 PolarHBondContact O-N 3.37Å; F556-L559 WeakPolarHBondContact O-CB 3.27Å; F556-L559 PolarHBondContact O-N 3.1Å; M557-L559 VanDerWaalsContact C-N 3.29Å; M557-L559 PolarHBondContact O-N 3.14Å; L559-L562 HydrophobicContact CD1-CD2 4.45Å; L559-L562 PolarHBondContact O-N 3.17Å; L559-Y563 HydrophobicContact CD1-CD2 4.26Å; L559-Y563 HydrophobicContact CD1-CE2 3.63Å; L559-Y563 HydrophobicContact CG-CD2 4.45Å; L559-Y563 HydrophobicContact CG-CE2 4.22Å; L559-Y563 VanDerWaalsContact O-CD2 3.27Å; L559-Y563 WeakPolarHBondContact O-CD2 3.33Å; L559-Y563 PolarHBondContact O-N 3.16Å; L559-L597 HydrophobicContact CD2-CD1 4.14Å; L559-L597 HydrophobicContact CD2-CD2 3.49Å; L559-L597 VanDerWaalsContact CD2-CD2 3.49Å; L559-L597 HydrophobicContact CD2-CG 4.46Å; L559-L597 HydrophobicContact CG-CD1 3.84Å; L559-L597 HydrophobicContact CG-CD2 4.15Å
560V95.5Very high92.4Very high0 Ų039.4 Ų39.40%020%0.2CC..Hα-helixtrans-61.6-49.7172.8173.80000110.5F556 M557 L562 Y563 K564 L594 L597 F612F556-V560 HydrophobicContact CD1-CG2 4.07Å; F556-V560 HydrophobicContact CE1-CG2 3.82Å; F556-V560 WeakPolarHBondContact O-CG2 3.43Å; F556-V560 PolarHBondContact O-N 3.04Å; M557-V560 PolarHBondContact O-N 3.04Å; V560-L562 VanDerWaalsContact C-N 3.32Å; V560-L562 PolarHBondContact O-N 2.83Å; V560-Y563 PolarHBondContact O-N 3.28Å; V560-K564 HydrophobicContact CG1-CD 3.81Å; V560-K564 HydrophobicContact CG1-CG 4.24Å; V560-K564 VanDerWaalsContact O-CG 3.31Å; V560-K564 WeakPolarHBondContact O-CG 3.3Å; V560-K564 PolarHBondContact O-N 3.21Å; V560-L594 HydrophobicContact CG1-CD2 4.42Å; V560-L597 HydrophobicContact CG2-CB 4.44Å; V560-L597 HydrophobicContact CG2-CD1 4.24Å; V560-F612 HydrophobicContact CB-CE1 4.48Å; V560-F612 HydrophobicContact CG1-CD1 3.92Å; V560-F612 HydrophobicContact CG1-CE1 3.88Å; V560-F612 HydrophobicContact CG1-CG 4.34Å; V560-F612 HydrophobicContact CG1-CZ 4.25Å; V560-F612 HydrophobicContact CG2-CE1 3.73Å; V560-F612 HydrophobicContact CG2-CE2 4.38Å; V560-F612 HydrophobicContact CG2-CZ 3.61Å
561N94.2Very high92.1Very high76 Ų7634.8 Ų34.841%0.40618%0.179SC..Hα-helixtrans-62.6-36.3-179.9-73.8-23.4000113.2M557 K558 K564 G565M557-N561 WeakPolarHBondContact O-CB 3.42Å; M557-N561 PolarHBondContact O-N 3.28Å; M557-N561 PolarHBondContact O-ND2 2.92Å; K558-N561 PolarHBondContact O-N 3.32Å; N561-K564 PolarHBondContact O-N 3.41Å; N561-G565 PolarHBondContact O-N 3.11Å
562L94.5Very high91.7Very high5 Ų542 Ų423%0.02620%0.204CC..Hα-helixtrans-56.9-50.9175.8173.562.9000111.4L516 Q517 Y522 T526 K558 L559 V560 G565 A566L516-L562 VanDerWaalsContact C-CD1 3.49Å; L516-L562 HydrophobicContact CB-CD1 4.09Å; L516-L562 HydrophobicContact CB-CD2 4.39Å; L516-L562 HydrophobicContact CD2-CD2 4.5Å; L516-L562 WeakPolarHBondContact O-CD1 3.25Å; Q517-L562 HydrophobicContact CB-CD1 4.5Å; Q517-L562 HydrophobicContact CG-CD1 4.08Å; Y522-L562 HydrophobicContact CE1-CD1 4.42Å; T526-L562 HydrophobicContact CG2-CD1 3.69Å; T526-L562 HydrophobicContact CG2-CD2 4.18Å; T526-L562 HydrophobicContact CG2-CG 3.8Å; K558-L562 VanDerWaalsContact O-CB 3.31Å; K558-L562 WeakPolarHBondContact O-CB 3.18Å; K558-L562 PolarHBondContact O-N 2.88Å; L559-L562 HydrophobicContact CD1-CD2 4.45Å; L559-L562 PolarHBondContact O-N 3.17Å; V560-L562 VanDerWaalsContact C-N 3.32Å; V560-L562 PolarHBondContact O-N 2.83Å; L562-G565 PolarHBondContact O-N 3.45Å; L562-A566 PolarHBondContact O-N 3.38Å
563Y94.8Very high90.7Very high0 Ų039.5 Ų39.50%019%0.189CC..Hα-helixtrans-79.4-27-178.4-66.6-64.3000113.3T526 A530 L559 V560 A566 V567 L593 L597T526-Y563 HydrophobicContact CG2-CD1 4.06Å; T526-Y563 HydrophobicContact CG2-CE1 3.63Å; A530-Y563 HydrophobicContact CB-CD1 4.41Å; A530-Y563 HydrophobicContact CB-CE1 3.71Å; L559-Y563 HydrophobicContact CD1-CD2 4.26Å; L559-Y563 HydrophobicContact CD1-CE2 3.63Å; L559-Y563 HydrophobicContact CG-CD2 4.45Å; L559-Y563 HydrophobicContact CG-CE2 4.22Å; L559-Y563 VanDerWaalsContact O-CD2 3.27Å; L559-Y563 WeakPolarHBondContact O-CD2 3.33Å; L559-Y563 PolarHBondContact O-N 3.16Å; V560-Y563 PolarHBondContact O-N 3.28Å; Y563-A566 PolarHBondContact O-N 2.94Å; Y563-V567 WeakPolarHBondContact O-CG2 3.41Å; Y563-V567 PolarHBondContact O-N 3.49Å; Y563-L593 HydrophobicContact CD1-CD2 3.96Å; Y563-L593 HydrophobicContact CD2-CD2 3.73Å; Y563-L593 HydrophobicContact CD2-CG 4.09Å; Y563-L593 HydrophobicContact CE1-CD2 3.51Å; Y563-L593 HydrophobicContact CE2-CD2 3.21Å; Y563-L593 HydrophobicContact CE2-CG 3.96Å; Y563-L593 HydrophobicContact CG-CD2 4.07Å; Y563-L593 HydrophobicContact CG-CG 4.49Å; Y563-L593 WeakPolarHBondContact OH-CD2 3.43Å; Y563-L597 HydrophobicContact CD2-CD1 4.17Å
564K93.8Very high89.4Confident34 Ų3443 Ų4315%0.14819%0.192CC..Hα-helixtrans-59.8-47.5166.3-72.8176.969.6-177.50111.3V560 N561 A566 V567 L568 L594 T611 Y613 I614V560-K564 HydrophobicContact CG1-CD 3.81Å; V560-K564 HydrophobicContact CG1-CG 4.24Å; V560-K564 VanDerWaalsContact O-CG 3.31Å; V560-K564 WeakPolarHBondContact O-CG 3.3Å; V560-K564 PolarHBondContact O-N 3.21Å; N561-K564 PolarHBondContact O-N 3.41Å; K564-A566 VanDerWaalsContact C-N 3.31Å; K564-A566 PolarHBondContact O-N 3.08Å; K564-V567 PolarHBondContact O-N 2.92Å; K564-L568 PolarHBondContact O-N 2.96Å; K564-L594 HydrophobicContact CG-CD1 4.45Å; K564-L594 HydrophobicContact CG-CD2 4.19Å; K564-T611 WeakPolarHBondContact CD-O 3.46Å; K564-T611 WeakPolarHBondContact CE-O 3.49Å; K564-T611 PolarHBondContact NZ-O 3.18Å; K564-Y613 WeakPolarHBondContact CE-O 3.1Å; K564-Y613 PolarHBondContact NZ-O 3.41Å; K564-I614 HydrophobicContact CB-CD1 4.31Å; K564-I614 HydrophobicContact CB-CG1 4.44Å; K564-I614 HydrophobicContact CG-CD1 4.15Å; K564-I614 HydrophobicContact CG-CG1 4.12Å
565G91.2Very high87.6Confident18 Ų1845 Ų4519%0.18620%0.202CC..Hα-helixtrans-58.7-42.6175.500000112.2Y522 N561 L562 L568 Y569Y522-G565 VanDerWaalsContact CE2-C 3.42Å; Y522-G565 WeakPolarHBondContact CE2-O 3.19Å; N561-G565 PolarHBondContact O-N 3.11Å; L562-G565 PolarHBondContact O-N 3.45Å; G565-L568 PolarHBondContact O-N 3.21Å; G565-Y569 WeakPolarHBondContact O-CB 3.4Å; G565-Y569 PolarHBondContact O-N 3.28Å
566A91Very high85.7Confident0 Ų050.2 Ų50.20%023%0.234CC..Hα-helixtrans-62.2-43.3175.700000112.9Y522 T526 I527 L562 Y563 K564 Y569 L570Y522-A566 HydrophobicContact CD2-CB 4.24Å; Y522-A566 HydrophobicContact CG-CB 4.37Å; T526-A566 HydrophobicContact CG2-CB 4.39Å; I527-A566 HydrophobicContact CD1-CB 4.09Å; L562-A566 PolarHBondContact O-N 3.38Å; Y563-A566 PolarHBondContact O-N 2.94Å; K564-A566 VanDerWaalsContact C-N 3.31Å; K564-A566 PolarHBondContact O-N 3.08Å; A566-Y569 PolarHBondContact O-N 3.35Å; A566-L570 VanDerWaalsContact O-CG 3.29Å; A566-L570 WeakPolarHBondContact O-CG 3.3Å; A566-L570 PolarHBondContact O-N 3.11Å; A566-L570 VanDerWaalsContact O-N 3.07Å
567V90.9Very high83.8Confident0 Ų053.5 Ų53.50%025%0.248CC..Hα-helixtrans-61.3-46.9174.7171.70000110.9Y563 K564 Y569 L570 L571 A590 L591 L594 I614Y563-V567 WeakPolarHBondContact O-CG2 3.41Å; Y563-V567 PolarHBondContact O-N 3.49Å; K564-V567 PolarHBondContact O-N 2.92Å; V567-Y569 PolarHBondContact O-N 3.41Å; V567-L570 PolarHBondContact O-N 3.38Å; V567-L571 HydrophobicContact CG1-CD1 3.88Å; V567-L571 HydrophobicContact CG1-CG 4.31Å; V567-L571 WeakPolarHBondContact O-CG 3.3Å; V567-L571 PolarHBondContact O-N 2.93Å; V567-A590 HydrophobicContact CG2-CB 3.65Å; V567-L591 HydrophobicContact CG1-CD2 4.31Å; V567-L591 HydrophobicContact CG2-CD2 4.05Å; V567-L591 HydrophobicContact CG2-CG 4.28Å; V567-L594 HydrophobicContact CG2-CD1 3.84Å; V567-I614 HydrophobicContact CB-CD1 4.28Å; V567-I614 HydrophobicContact CG1-CD1 4.1Å
568L89.5Confident81.6Confident27 Ų2757.9 Ų57.914%0.14127%0.272CS..Hα-helixtrans-59.9-44178.5-79.2174.8000112.8K564 G565 L571 R572 I614 E616 L620K564-L568 PolarHBondContact O-N 2.96Å; G565-L568 PolarHBondContact O-N 3.21Å; L568-L571 PolarHBondContact O-N 3.17Å; L568-R572 WeakPolarHBondContact O-CG 3.42Å; L568-R572 PolarHBondContact O-N 3.19Å; L568-I614 HydrophobicContact CD1-CG2 4.06Å; L568-I614 HydrophobicContact CD2-CG2 3.31Å; L568-I614 HydrophobicContact CG-CG2 3.63Å; L568-E616 HydrophobicContact CD2-CB 3.78Å; L568-E616 HydrophobicContact CD2-CG 4.38Å; L568-L620 HydrophobicContact CD2-CD1 4.32Å
569Y88.3Confident79.8Confident78 Ų7859.2 Ų59.231%0.30628%0.282SS..Hα-helixtrans-61.4-45.2177.2175.3-94.8000111.8Y522 I523 G565 A566 V567 R572 G573Y522-Y569 VanDerWaalsContact CD2-CB 3.48Å; Y522-Y569 AromaticContact CD2-CD1 3.94Å; Y522-Y569 HydrophobicContact CD2-CD1 3.94Å; Y522-Y569 HydrophobicContact CD2-CD2 4.29Å; Y522-Y569 AromaticContact CD2-CG 3.65Å; Y522-Y569 HydrophobicContact CD2-CG 3.65Å; Y522-Y569 HydrophobicContact CE2-CG 4.25Å; I523-Y569 HydrophobicContact CD1-CE1 4.07Å; I523-Y569 HydrophobicContact CG1-CE1 4.02Å; G565-Y569 WeakPolarHBondContact O-CB 3.4Å; G565-Y569 PolarHBondContact O-N 3.28Å; A566-Y569 PolarHBondContact O-N 3.35Å; V567-Y569 PolarHBondContact O-N 3.41Å; Y569-R572 PolarHBondContact O-N 3.01Å; Y569-G573 PolarHBondContact O-N 3.27Å
570L85.8Confident78.1Confident2 Ų263.6 Ų63.61%0.0131%0.31CS..Hα-helixtrans-61.8-46.8176.1-69.2171.5000110.7I527 A566 V567 R572 G573 R574 F577 F583 I587I527-L570 HydrophobicContact CD1-CD1 4.11Å; A566-L570 VanDerWaalsContact O-CG 3.29Å; A566-L570 WeakPolarHBondContact O-CG 3.3Å; A566-L570 PolarHBondContact O-N 3.11Å; A566-L570 VanDerWaalsContact O-N 3.07Å; V567-L570 PolarHBondContact O-N 3.38Å; L570-R572 PolarHBondContact O-N 2.9Å; L570-G573 CarbonylContact O-C 3.55Å; L570-G573 PolarHBondContact O-N 3.14Å; L570-G573 VanDerWaalsContact O-N 3.08Å; L570-R574 PolarHBondContact O-N 2.97Å; L570-F577 HydrophobicContact CD2-CE2 4.41Å; L570-F577 HydrophobicContact CD2-CZ 4.49Å; L570-F583 HydrophobicContact CB-CE2 3.86Å; L570-F583 HydrophobicContact CB-CZ 4.35Å; L570-F583 HydrophobicContact CD2-CD2 4.43Å; L570-F583 HydrophobicContact CD2-CE2 4.31Å; L570-F583 WeakPolarHBondContact O-CE2 3.33Å; L570-F583 WeakPolarHBondContact O-CZ 3.27Å; L570-I587 HydrophobicContact CD1-CB 4.19Å
571L84.1Confident76.5Confident12 Ų1268.4 Ų68.46%0.06334%0.339CS..Hα-helixtrans-61.4-40.7179.2-70.6176.1000113V567 L568 G573 R574 I587 I617 L620 V621 L650V567-L571 HydrophobicContact CG1-CD1 3.88Å; V567-L571 HydrophobicContact CG1-CG 4.31Å; V567-L571 WeakPolarHBondContact O-CG 3.3Å; V567-L571 PolarHBondContact O-N 2.93Å; L568-L571 PolarHBondContact O-N 3.17Å; L571-G573 VanDerWaalsContact C-N 3.32Å; L571-G573 PolarHBondContact O-N 3.46Å; L571-R574 VanDerWaalsContact O-CB 3.32Å; L571-R574 WeakPolarHBondContact O-CB 3.48Å; L571-R574 PolarHBondContact O-N 3.38Å; L571-I587 HydrophobicContact CD2-CD1 3.53Å; L571-I587 HydrophobicContact CG-CD1 4.02Å; L571-I617 HydrophobicContact CD1-CD1 4.45Å; L571-I617 HydrophobicContact CD1-CG1 3.9Å; L571-L620 HydrophobicContact CB-CD1 4.12Å; L571-V621 HydrophobicContact CD2-CG2 4Å; L571-L650 HydrophobicContact CD1-CD1 4.44Å; L571-L650 HydrophobicContact CD2-CD1 4.34Å
572R83.3Confident75.2Confident167 Ų16768.5 Ų68.563%0.6334%0.34SS*.Hα-helixtrans-65.2-35.8173.4-71.4-179.9-178.3-175.92.4112.3L568 Y569 L570 R574 L620L568-R572 WeakPolarHBondContact O-CG 3.42Å; L568-R572 PolarHBondContact O-N 3.19Å; Y569-R572 PolarHBondContact O-N 3.01Å; L570-R572 PolarHBondContact O-N 2.9Å; R572-R574 VanDerWaalsContact C-N 3.27Å; R572-R574 PolarHBondContact O-N 3.16Å; R572-L620 HydrophobicContact CG-CD1 3.91Å; R572-L620 HydrophobicContact CG-CD2 4.1Å
573G70.9Confident74.2Confident10 Ų1069.2 Ų69.210%0.10334%0.342CS..G310 helixtrans-76.9-1.317900000115.5Y569 L570 L571 K575 T576 F577Y569-G573 PolarHBondContact O-N 3.27Å; L570-G573 CarbonylContact O-C 3.55Å; L570-G573 PolarHBondContact O-N 3.14Å; L570-G573 VanDerWaalsContact O-N 3.08Å; L571-G573 VanDerWaalsContact C-N 3.32Å; L571-G573 PolarHBondContact O-N 3.46Å; G573-K575 PolarHBondContact O-N 2.84Å; G573-T576 PolarHBondContact O-N 3.01Å; G573-T576 PolarHBondContact O-OG1 3.39Å; G573-T576 VanDerWaalsContact O-OG1 3.1Å; G573-F577 WeakPolarHBondContact O-CD2 3.48Å; G573-F577 PolarHBondContact O-N 3.26Å
574R65.8Low73.3Confident145 Ų14570.8 Ų70.855%0.54735%0.351SS..G310 helixtrans-54.4-24.8-175.5-167.3176.2-176.1-176.21.6114.1L570 L571 R572 F583L570-R574 PolarHBondContact O-N 2.97Å; L571-R574 VanDerWaalsContact O-CB 3.32Å; L571-R574 WeakPolarHBondContact O-CB 3.48Å; L571-R574 PolarHBondContact O-N 3.38Å; R572-R574 VanDerWaalsContact C-N 3.27Å; R572-R574 PolarHBondContact O-N 3.16Å; R574-F583 HydrophobicContact CB-CZ 4.25Å; R574-F583 HydrophobicContact CG-CE1 4.33Å; R574-F583 HydrophobicContact CG-CZ 4.29Å
575K54.8Low72.8Confident213 Ų21373.8 Ų73.893%0.92637%0.369SS*.G310 helixtrans-89.5-12178.3-66.7-177.8-179.6178.30114.6G573G573-K575 PolarHBondContact O-N 2.84Å
576T53.3Low72.6Confident112 Ų11275.2 Ų75.269%0.68737%0.369SS*.THydrogen-bonded Turntrans-109.3-18.3-169.13.10000114.1G573 L578G573-T576 PolarHBondContact O-N 3.01Å; G573-T576 PolarHBondContact O-OG1 3.39Å; G573-T576 VanDerWaalsContact O-OG1 3.1Å; T576-L578 PolarHBondContact O-N 3.39Å
577F56.1Low72.4Confident70 Ų7075.5 Ų75.531%0.30737%0.37SS..  trans-78.6113.6-179.6-75.4-75000111.9I523 L570 G573 I579 F583I523-F577 HydrophobicContact CD1-CE1 3.73Å; I523-F577 HydrophobicContact CD1-CZ 3.63Å; I523-F577 HydrophobicContact CG1-CZ 4.47Å; L570-F577 HydrophobicContact CD2-CE2 4.41Å; L570-F577 HydrophobicContact CD2-CZ 4.49Å; G573-F577 WeakPolarHBondContact O-CD2 3.48Å; G573-F577 PolarHBondContact O-N 3.26Å; F577-I579 PolarHBondContact O-N 3.48Å; F577-I579 VanDerWaalsContact O-N 3.14Å; F577-F583 AromaticContact CD2-CD2 3.72Å; F577-F583 HydrophobicContact CD2-CD2 3.72Å; F577-F583 HydrophobicContact CD2-CE2 4.18Å; F577-F583 HydrophobicContact CE2-CD2 4.15Å; F577-F583 HydrophobicContact CE2-CE2 4.4Å; F577-F583 HydrophobicContact CG-CD2 4.34Å
578L48.6Very low72.3Confident174 Ų17476.9 Ų76.991%0.91138%0.379SS*.SBendtrans-67.1-6.2178-77.4149.7000114.2T576T576-L578 PolarHBondContact O-N 3.39Å
579I55.5Low72.4Confident98 Ų9876 Ų7650%0.50338%0.375SS..  trans-134.797.5-177.2-52.5176000110.6F577 V581 L582F577-I579 PolarHBondContact O-N 3.48Å; F577-I579 VanDerWaalsContact O-N 3.14Å; I579-V581 VanDerWaalsContact C-N 3.3Å; I579-V581 PolarHBondContact O-N 2.81Å; I579-L582 HydrophobicContact CB-CD1 4.38Å; I579-L582 HydrophobicContact CD1-CD1 4.19Å; I579-L582 HydrophobicContact CG2-CD1 4.11Å; I579-L582 HydrophobicContact CG2-CG 4.18Å
580P59Low72.7Confident95 Ų9572.2 Ų72.262%0.61736%0.36SS*.Hα-helixtrans-60.4-28.5-176.6-27.535.6000115.8F583 N584P580-F583 WeakPolarHBondContact O-CB 3.46Å; P580-F583 PolarHBondContact O-N 3.11Å; P580-N584 PolarHBondContact O-N 3.22Å
581V61.2Low73Confident100 Ų10072.1 Ų72.161%0.60636%0.36SS*.Hα-helixtrans-71.2-41.6-175-178.60000112.4I579 F583 N584 N585I579-V581 VanDerWaalsContact C-N 3.3Å; I579-V581 PolarHBondContact O-N 2.81Å; V581-F583 VanDerWaalsContact C-N 3.29Å; V581-F583 PolarHBondContact O-N 3.43Å; V581-N584 PolarHBondContact O-N 3.01Å; V581-N585 PolarHBondContact O-N 3.25Å
582L65.9Low73.5Confident79 Ų7976.3 Ų76.341%0.41438%0.377SS..Hα-helixtrans-67.1-36.3178-70.8171.1000111.1I579 N585 Y586I579-L582 HydrophobicContact CB-CD1 4.38Å; I579-L582 HydrophobicContact CD1-CD1 4.19Å; I579-L582 HydrophobicContact CG2-CD1 4.11Å; I579-L582 HydrophobicContact CG2-CG 4.18Å; L582-N585 PolarHBondContact O-N 2.94Å; L582-Y586 HydrophobicContact CB-CE2 4.24Å; L582-Y586 WeakPolarHBondContact O-CD2 3Å; L582-Y586 PolarHBondContact O-N 3.13Å
583F74Confident74.1Confident20 Ų2068.4 Ų68.49%0.08835%0.347CS..Hα-helixtrans-57.8-51.8175.7-179.1-98.2000112.1L570 R574 F577 P580 V581 N585 Y586 I587L570-F583 HydrophobicContact CB-CE2 3.86Å; L570-F583 HydrophobicContact CB-CZ 4.35Å; L570-F583 HydrophobicContact CD2-CD2 4.43Å; L570-F583 HydrophobicContact CD2-CE2 4.31Å; L570-F583 WeakPolarHBondContact O-CE2 3.33Å; L570-F583 WeakPolarHBondContact O-CZ 3.27Å; R574-F583 HydrophobicContact CB-CZ 4.25Å; R574-F583 HydrophobicContact CG-CE1 4.33Å; R574-F583 HydrophobicContact CG-CZ 4.29Å; F577-F583 AromaticContact CD2-CD2 3.72Å; F577-F583 HydrophobicContact CD2-CD2 3.72Å; F577-F583 HydrophobicContact CD2-CE2 4.18Å; F577-F583 HydrophobicContact CE2-CD2 4.15Å; F577-F583 HydrophobicContact CE2-CE2 4.4Å; F577-F583 HydrophobicContact CG-CD2 4.34Å; P580-F583 WeakPolarHBondContact O-CB 3.46Å; P580-F583 PolarHBondContact O-N 3.11Å; V581-F583 VanDerWaalsContact C-N 3.29Å; V581-F583 PolarHBondContact O-N 3.43Å; F583-N585 VanDerWaalsContact C-N 3.31Å; F583-N585 PolarHBondContact O-N 2.68Å; F583-Y586 PolarHBondContact O-N 3.27Å; F583-Y586 VanDerWaalsContact O-N 3.16Å; F583-I587 HydrophobicContact CE1-CG2 4.36Å; F583-I587 HydrophobicContact CZ-CD1 4.35Å; F583-I587 WeakPolarHBondContact O-CG2 3.49Å; F583-I587 PolarHBondContact O-N 3.2Å
584N75.6Confident75.3Confident33 Ų3368 Ų6818%0.17634%0.343CS..Hα-helixtrans-59-41.3-180-75.4-8.6000112.1P580 V581 I587 T588 D646 V648P580-N584 PolarHBondContact O-N 3.22Å; V581-N584 PolarHBondContact O-N 3.01Å; N584-I587 WeakPolarHBondContact O-CG2 3.46Å; N584-T588 VanDerWaalsContact O-CB 3.3Å; N584-T588 WeakPolarHBondContact O-CB 3.22Å; N584-T588 PolarHBondContact O-N 3.27Å; N584-T588 PolarHBondContact O-OG1 3.49Å; N584-D646 PolarHBondContact ND2-O 3.12Å; N584-V648 HydrophobicContact CB-CG2 4.38Å
585N83.1Confident76.7Confident97 Ų9763.7 Ų63.752%0.51933%0.329SS..Hα-helixtrans-64.5-42.3176.9-73.2-9.4000112.1V581 L582 F583 T588 A589V581-N585 PolarHBondContact O-N 3.25Å; L582-N585 PolarHBondContact O-N 2.94Å; F583-N585 VanDerWaalsContact C-N 3.31Å; F583-N585 PolarHBondContact O-N 2.68Å; N585-T588 PolarHBondContact O-N 2.9Å; N585-A589 WeakPolarHBondContact O-CB 3.44Å; N585-A589 PolarHBondContact O-N 3.05Å
586Y87.4Confident78.6Confident48 Ų4854.8 Ų54.819%0.18829%0.29CS..Hα-helixtrans-68.5-45.1-179.6-65.7-15.7000112.8I523 I527 M531 L582 F583 T588 A589 A590I523-Y586 HydrophobicContact CG2-CE2 4.1Å; I527-Y586 HydrophobicContact CG2-CD1 3.6Å; I527-Y586 HydrophobicContact CG2-CE1 4.36Å; I527-Y586 HydrophobicContact CG2-CG 3.81Å; M531-Y586 HydrophobicContact CE-CD1 4.21Å; M531-Y586 HydrophobicContact CE-CE1 3.89Å; M531-Y586 HydrophobicContact SD-CD1 4.11Å; M531-Y586 HydrophobicContact SD-CE1 4.15Å; L582-Y586 HydrophobicContact CB-CE2 4.24Å; L582-Y586 WeakPolarHBondContact O-CD2 3Å; L582-Y586 PolarHBondContact O-N 3.13Å; F583-Y586 PolarHBondContact O-N 3.27Å; F583-Y586 VanDerWaalsContact O-N 3.16Å; Y586-T588 VanDerWaalsContact C-N 3.31Å; Y586-T588 PolarHBondContact O-N 2.9Å; Y586-A589 PolarHBondContact O-N 3.31Å; Y586-A590 PolarHBondContact O-N 3.22Å
587I87.8Confident80.6Confident6 Ų649.4 Ų49.43%0.03126%0.257CS..Hα-helixtrans-65.9-38.1176.9-168.1162.1000110.9L570 L571 F583 N584 A589 A590 L591 V648 L650L570-I587 HydrophobicContact CD1-CB 4.19Å; L571-I587 HydrophobicContact CD2-CD1 3.53Å; L571-I587 HydrophobicContact CG-CD1 4.02Å; F583-I587 HydrophobicContact CE1-CG2 4.36Å; F583-I587 HydrophobicContact CZ-CD1 4.35Å; F583-I587 WeakPolarHBondContact O-CG2 3.49Å; F583-I587 PolarHBondContact O-N 3.2Å; N584-I587 WeakPolarHBondContact O-CG2 3.46Å; I587-A589 VanDerWaalsContact C-N 3.33Å; I587-A589 PolarHBondContact O-N 3.42Å; I587-A590 PolarHBondContact O-N 2.74Å; I587-L591 HydrophobicContact CG1-CD1 3.85Å; I587-L591 HydrophobicContact CG1-CG 4.29Å; I587-L591 WeakPolarHBondContact O-CB 3.34Å; I587-L591 VanDerWaalsContact O-CG 3.29Å; I587-L591 WeakPolarHBondContact O-CG 3.46Å; I587-L591 PolarHBondContact O-N 2.81Å; I587-V648 HydrophobicContact CG2-CB 4.43Å; I587-V648 HydrophobicContact CG2-CG2 4.12Å; I587-L650 HydrophobicContact CD1-CD2 4.39Å
588T89.3Confident82.4Confident29 Ų2947.7 Ų47.718%0.17825%0.249CC..Hα-helixtrans-60.2-44.1174.1-58.10000111.3N584 N585 Y586 L591 K592 V648N584-T588 VanDerWaalsContact O-CB 3.3Å; N584-T588 WeakPolarHBondContact O-CB 3.22Å; N584-T588 PolarHBondContact O-N 3.27Å; N584-T588 PolarHBondContact O-OG1 3.49Å; N585-T588 PolarHBondContact O-N 2.9Å; Y586-T588 VanDerWaalsContact C-N 3.31Å; Y586-T588 PolarHBondContact O-N 2.9Å; T588-L591 PolarHBondContact O-N 2.64Å; T588-K592 HydrophobicContact CG2-CD 3.84Å; T588-K592 HydrophobicContact CG2-CG 4.14Å; T588-K592 WeakPolarHBondContact O-CB 3.47Å; T588-K592 WeakPolarHBondContact O-CG 3.39Å; T588-K592 PolarHBondContact O-N 2.84Å; T588-V648 WeakPolarHBondContact OG1-CG2 3.27Å
589A91.1Very high84.6Confident7 Ų744.7 Ų44.76%0.05823%0.229CC..Hα-helixtrans-63.3-44.7179.900000111.6M531 L534 N585 Y586 I587 L593M531-A589 HydrophobicContact CG-CB 3.62Å; L534-A589 HydrophobicContact CD1-CB 4.12Å; L534-A589 VanDerWaalsContact CD1-O 3.27Å; L534-A589 WeakPolarHBondContact CD1-O 3.29Å; N585-A589 WeakPolarHBondContact O-CB 3.44Å; N585-A589 PolarHBondContact O-N 3.05Å; Y586-A589 PolarHBondContact O-N 3.31Å; I587-A589 VanDerWaalsContact C-N 3.33Å; I587-A589 PolarHBondContact O-N 3.42Å; A589-L593 WeakPolarHBondContact O-CB 3.36Å; A589-L593 PolarHBondContact O-N 3.38Å; A589-L593 VanDerWaalsContact O-N 3.08Å
590A93.4Very high86.4Confident0 Ų040.1 Ų40.10%021%0.205CC..Hα-helixtrans-62.2-45.7176.600000112.1I527 V567 Y586 I587 L593 L594I527-A590 HydrophobicContact CD1-CB 3.76Å; V567-A590 HydrophobicContact CG2-CB 3.65Å; Y586-A590 PolarHBondContact O-N 3.22Å; I587-A590 PolarHBondContact O-N 2.74Å; A590-L593 PolarHBondContact O-N 3.21Å; A590-L594 PolarHBondContact O-N 3.05Å
591L93.5Very high88.1Confident0 Ų036 Ų360%018%0.178CC..Hα-helixtrans-66.5-44.5-179.8-71168.3000112.7V567 I587 T588 L593 L594 E595 V648 L650 Y653 I656V567-L591 HydrophobicContact CG1-CD2 4.31Å; V567-L591 HydrophobicContact CG2-CD2 4.05Å; V567-L591 HydrophobicContact CG2-CG 4.28Å; I587-L591 HydrophobicContact CG1-CD1 3.85Å; I587-L591 HydrophobicContact CG1-CG 4.29Å; I587-L591 WeakPolarHBondContact O-CB 3.34Å; I587-L591 VanDerWaalsContact O-CG 3.29Å; I587-L591 WeakPolarHBondContact O-CG 3.46Å; I587-L591 PolarHBondContact O-N 2.81Å; T588-L591 PolarHBondContact O-N 2.64Å; L591-L593 VanDerWaalsContact C-N 3.27Å; L591-L593 PolarHBondContact O-N 3.31Å; L591-L594 PolarHBondContact O-N 3.16Å; L591-E595 WeakPolarHBondContact O-CB 3.47Å; L591-E595 PolarHBondContact O-N 2.91Å; L591-V648 HydrophobicContact CD1-CG1 3.99Å; L591-L650 HydrophobicContact CD1-CD2 3.61Å; L591-L650 HydrophobicContact CD2-CD2 4.38Å; L591-Y653 HydrophobicContact CB-CD1 4.17Å; L591-Y653 HydrophobicContact CB-CD2 3.99Å; L591-Y653 HydrophobicContact CB-CE1 3.95Å; L591-Y653 HydrophobicContact CB-CE2 3.76Å; L591-Y653 HydrophobicContact CB-CG 4.19Å; L591-Y653 HydrophobicContact CD1-CD2 3.88Å; L591-Y653 HydrophobicContact CD1-CE2 3.82Å; L591-Y653 HydrophobicContact CD2-CD2 4.35Å; L591-Y653 HydrophobicContact CD2-CG 4.43Å; L591-Y653 HydrophobicContact CG-CD2 4.3Å; L591-Y653 HydrophobicContact CG-CE2 4.35Å; L591-I656 HydrophobicContact CD2-CD1 3.94Å; L591-I656 HydrophobicContact CD2-CG2 4.39Å
592K94.1Very high89.4Confident100 Ų10035.9 Ų35.944%0.43517%0.174SC..Hα-helixtrans-62.6-34.8175.9-76.7-175.2177.4176.60112.4L534 T588 E595 K596 Y653L534-K592 HydrophobicContact CD1-CB 3.79Å; L534-K592 HydrophobicContact CD2-CB 4.01Å; T588-K592 HydrophobicContact CG2-CD 3.84Å; T588-K592 HydrophobicContact CG2-CG 4.14Å; T588-K592 WeakPolarHBondContact O-CB 3.47Å; T588-K592 WeakPolarHBondContact O-CG 3.39Å; T588-K592 PolarHBondContact O-N 2.84Å; K592-E595 WeakPolarHBondContact O-CB 3.06Å; K592-E595 PolarHBondContact O-N 3.14Å; K592-K596 PolarHBondContact O-N 2.75Å; K592-Y653 HydrophobicContact CG-CE1 4.39Å; K592-Y653 WeakPolarHBondContact CG-OH 3.33Å
593L95.4Very high90.6Very high0 Ų039.2 Ų39.20%019%0.185CC..Hα-helixtrans-71.8-42.1176-173.757.7000111.7A530 I533 L534 W548 Y563 A589 A590 L591 E595 K596 L597A530-L593 HydrophobicContact CB-CB 4.41Å; A530-L593 HydrophobicContact CB-CD2 3.41Å; A530-L593 VanDerWaalsContact CB-CD2 3.41Å; I533-L593 HydrophobicContact CB-CD1 4.45Å; I533-L593 HydrophobicContact CD1-CD2 4.35Å; I533-L593 HydrophobicContact CG2-CD1 3.81Å; L534-L593 HydrophobicContact CD1-CB 4.5Å; W548-L593 HydrophobicContact CH2-CD1 3.84Å; W548-L593 HydrophobicContact CZ3-CD1 4.49Å; Y563-L593 HydrophobicContact CD1-CD2 3.96Å; Y563-L593 HydrophobicContact CD2-CD2 3.73Å; Y563-L593 HydrophobicContact CD2-CG 4.09Å; Y563-L593 HydrophobicContact CE1-CD2 3.51Å; Y563-L593 HydrophobicContact CE2-CD2 3.21Å; Y563-L593 HydrophobicContact CE2-CG 3.96Å; Y563-L593 HydrophobicContact CG-CD2 4.07Å; Y563-L593 HydrophobicContact CG-CG 4.49Å; Y563-L593 WeakPolarHBondContact OH-CD2 3.43Å; A589-L593 WeakPolarHBondContact O-CB 3.36Å; A589-L593 PolarHBondContact O-N 3.38Å; A589-L593 VanDerWaalsContact O-N 3.08Å; A590-L593 PolarHBondContact O-N 3.21Å; L591-L593 VanDerWaalsContact C-N 3.27Å; L591-L593 PolarHBondContact O-N 3.31Å; L593-E595 VanDerWaalsContact C-N 3.28Å; L593-E595 PolarHBondContact O-N 3.5Å; L593-K596 HydrophobicContact CD1-CD 4.47Å; L593-K596 WeakPolarHBondContact O-CB 3.23Å; L593-K596 PolarHBondContact O-N 3.05Å; L593-K596 VanDerWaalsContact O-N 3.16Å; L593-L597 WeakPolarHBondContact O-CG 3.49Å; L593-L597 PolarHBondContact O-N 2.95Å
594L95.7Very high91.2Very high1 Ų141.4 Ų41.41%0.00520%0.199CC..Hα-helixtrans-58.6-39.9170.2-78.1172.2000111.9V560 K564 V567 A590 L591 K596 L597 Y598 F655V560-L594 HydrophobicContact CG1-CD2 4.42Å; K564-L594 HydrophobicContact CG-CD1 4.45Å; K564-L594 HydrophobicContact CG-CD2 4.19Å; V567-L594 HydrophobicContact CG2-CD1 3.84Å; A590-L594 PolarHBondContact O-N 3.05Å; L591-L594 PolarHBondContact O-N 3.16Å; L594-K596 VanDerWaalsContact C-N 3.33Å; L594-K596 PolarHBondContact O-N 2.66Å; L594-L597 PolarHBondContact O-N 3.1Å; L594-Y598 WeakPolarHBondContact O-CB 3.15Å; L594-Y598 PolarHBondContact O-N 3.33Å; L594-F655 HydrophobicContact CB-CE2 3.91Å; L594-F655 HydrophobicContact CB-CZ 4.05Å
595E95.1Very high91.8Very high56 Ų5648 Ų4826%0.26223%0.227SC..Hα-helixtrans-62.1-40.8174.9-169.4-160.2166.900111.6L591 K592 L593 Y598 K599 Y653 F655L591-E595 WeakPolarHBondContact O-CB 3.47Å; L591-E595 PolarHBondContact O-N 2.91Å; K592-E595 WeakPolarHBondContact O-CB 3.06Å; K592-E595 PolarHBondContact O-N 3.14Å; L593-E595 VanDerWaalsContact C-N 3.28Å; L593-E595 PolarHBondContact O-N 3.5Å; E595-Y598 WeakPolarHBondContact O-CB 3.44Å; E595-Y598 PolarHBondContact O-N 2.85Å; E595-K599 WeakPolarHBondContact O-CG 3.36Å; E595-K599 PolarHBondContact O-N 3.39Å; E595-K599 VanDerWaalsContact OE1-CE 3.26Å; E595-K599 WeakPolarHBondContact OE1-CE 3.25Å; E595-K599 IonicContact OE1-NZ 3.75Å; E595-K599 PolarHBondContact OE1-NZ 3.28Å; E595-Y653 HydrophobicContact CB-CD1 4.07Å; E595-Y653 HydrophobicContact CB-CE1 4.12Å; E595-Y653 HydrophobicContact CG-CD1 4.34Å; E595-Y653 HydrophobicContact CG-CE1 4.47Å; E595-F655 HydrophobicContact CB-CE1 3.9Å; E595-F655 HydrophobicContact CB-CZ 3.98Å; E595-F655 HydrophobicContact CG-CE1 4.02Å
596K95.1Very high92.1Very high25 Ų2544.8 Ų44.811%0.10921%0.208CC..Hα-helixtrans-62.6-45174.9-170.2176.9172.959.10111.3S541 D545 W548 K592 L593 L594 K599 V600S541-K596 PolarHBondContact O-NZ 3.43Å; S541-K596 PolarHBondContact OG-NZ 3.05Å; D545-K596 WeakPolarHBondContact OD1-CE 3.36Å; D545-K596 IonicContact OD1-NZ 2.77Å; D545-K596 PolarHBondContact OD1-NZ 2.71Å; D545-K596 IonicContact OD2-NZ 2.78Å; D545-K596 PolarHBondContact OD2-NZ 2.69Å; W548-K596 HydrophobicContact CH2-CD 4.41Å; W548-K596 HydrophobicContact CZ3-CD 3.82Å; W548-K596 HydrophobicContact CZ3-CG 4Å; K592-K596 PolarHBondContact O-N 2.75Å; L593-K596 HydrophobicContact CD1-CD 4.47Å; L593-K596 WeakPolarHBondContact O-CB 3.23Å; L593-K596 PolarHBondContact O-N 3.05Å; L593-K596 VanDerWaalsContact O-N 3.16Å; L594-K596 VanDerWaalsContact C-N 3.33Å; L594-K596 PolarHBondContact O-N 2.66Å; K596-K599 PolarHBondContact O-N 3.33Å; K596-V600 WeakPolarHBondContact O-CG2 3.01Å; K596-V600 PolarHBondContact O-N 2.97Å; K596-V600 VanDerWaalsContact O-N 3.1Å
597L95.9Very high92.3Very high0 Ų043.2 Ų43.20%020%0.204CC..Hα-helixtrans-62.9-43.4174.6-64.3174000111.4W548 F556 L559 V560 Y563 L593 L594 K599 V600 N601 F612W548-L597 HydrophobicContact CD2-CD2 3.94Å; W548-L597 HydrophobicContact CE3-CD2 3.75Å; W548-L597 HydrophobicContact CH2-CD2 4.09Å; W548-L597 HydrophobicContact CZ2-CD2 4.29Å; W548-L597 HydrophobicContact CZ3-CD2 3.81Å; F556-L597 HydrophobicContact CE2-CD2 4.16Å; F556-L597 HydrophobicContact CZ-CB 4.2Å; F556-L597 HydrophobicContact CZ-CD2 4.46Å; F556-L597 WeakPolarHBondContact CZ-O 3.45Å; L559-L597 HydrophobicContact CD2-CD1 4.14Å; L559-L597 HydrophobicContact CD2-CD2 3.49Å; L559-L597 VanDerWaalsContact CD2-CD2 3.49Å; L559-L597 HydrophobicContact CD2-CG 4.46Å; L559-L597 HydrophobicContact CG-CD1 3.84Å; L559-L597 HydrophobicContact CG-CD2 4.15Å; V560-L597 HydrophobicContact CG2-CB 4.44Å; V560-L597 HydrophobicContact CG2-CD1 4.24Å; Y563-L597 HydrophobicContact CD2-CD1 4.17Å; L593-L597 WeakPolarHBondContact O-CG 3.49Å; L593-L597 PolarHBondContact O-N 2.95Å; L594-L597 PolarHBondContact O-N 3.1Å; L597-K599 VanDerWaalsContact C-N 3.33Å; L597-K599 PolarHBondContact O-N 2.92Å; L597-V600 WeakPolarHBondContact O-CB 3.37Å; L597-V600 PolarHBondContact O-N 3.28Å; L597-V600 VanDerWaalsContact O-N 3.08Å; L597-N601 PolarHBondContact O-N 3.34Å; L597-F612 HydrophobicContact CB-CE1 4.3Å
598Y94.3Very high92.3Very high34 Ų3449.8 Ų49.813%0.13323%0.234CC..Hα-helixtrans-56.1-47175.1171.7-109.2000111.5L594 E595 V600 N601 L602 Y609 F655L594-Y598 WeakPolarHBondContact O-CB 3.15Å; L594-Y598 PolarHBondContact O-N 3.33Å; E595-Y598 WeakPolarHBondContact O-CB 3.44Å; E595-Y598 PolarHBondContact O-N 2.85Å; Y598-V600 VanDerWaalsContact C-N 3.29Å; Y598-V600 PolarHBondContact O-N 3.08Å; Y598-N601 PolarHBondContact O-N 3.1Å; Y598-N601 VanDerWaalsContact O-N 3.1Å; Y598-L602 HydrophobicContact CD1-CD1 4.28Å; Y598-L602 HydrophobicContact CE1-CD1 3.68Å; Y598-L602 HydrophobicContact CE1-CG 4.21Å; Y598-L602 HydrophobicContact CE2-CD1 4.49Å; Y598-L602 HydrophobicContact CE2-CD2 4.05Å; Y598-L602 HydrophobicContact CE2-CG 4.15Å; Y598-L602 WeakPolarHBondContact O-CG 3.04Å; Y598-L602 PolarHBondContact O-N 3.4Å; Y598-Y609 AromaticContact CE2-CD2 3.75Å; Y598-Y609 HydrophobicContact CE2-CD2 3.75Å; Y598-Y609 AromaticContact CE2-CE2 3.47Å; Y598-Y609 HydrophobicContact CE2-CE2 3.47Å; Y598-Y609 VanDerWaalsContact CE2-CE2 3.47Å; Y598-Y609 AromaticContact CZ-CE2 3.94Å; Y598-F655 HydrophobicContact CD1-CB 4.35Å; Y598-F655 AromaticContact CD1-CD1 3.83Å; Y598-F655 HydrophobicContact CD1-CD1 3.83Å; Y598-F655 HydrophobicContact CD1-CE1 4.42Å; Y598-F655 HydrophobicContact CD1-CG 4.11Å; Y598-F655 HydrophobicContact CD2-CB 3.87Å; Y598-F655 HydrophobicContact CD2-CD2 4.46Å; Y598-F655 HydrophobicContact CD2-CG 4.06Å; Y598-F655 HydrophobicContact CE1-CB 4.32Å; Y598-F655 HydrophobicContact CE1-CD1 4.28Å; Y598-F655 HydrophobicContact CE2-CB 3.88Å; Y598-F655 HydrophobicContact CG-CB 4.12Å; Y598-F655 HydrophobicContact CG-CD1 4Å; Y598-F655 HydrophobicContact CG-CD2 4.29Å; Y598-F655 AromaticContact CG-CG 3.86Å; Y598-F655 HydrophobicContact CG-CG 3.86Å
599K93.9Very high92Very high111 Ų11150.2 Ų50.248%0.48323%0.233SC..Hα-helixtrans-60.8-33.4175.4-75.2169.2173.3167.70113.5E595 K596 L597E595-K599 WeakPolarHBondContact O-CG 3.36Å; E595-K599 PolarHBondContact O-N 3.39Å; E595-K599 VanDerWaalsContact OE1-CE 3.26Å; E595-K599 WeakPolarHBondContact OE1-CE 3.25Å; E595-K599 IonicContact OE1-NZ 3.75Å; E595-K599 PolarHBondContact OE1-NZ 3.28Å; K596-K599 PolarHBondContact O-N 3.33Å; L597-K599 VanDerWaalsContact C-N 3.33Å; L597-K599 PolarHBondContact O-N 2.92Å
600V94.3Very high91.8Very high1 Ų154.4 Ų54.41%0.00625%0.254CS..Hα-helixtrans-70.8-44172.5172.30000110.6D545 W548 F556 K596 L597 Y598 L602 K603 V604D545-V600 HydrophobicContact CB-CG2 3.99Å; W548-V600 HydrophobicContact CB-CG1 4Å; W548-V600 HydrophobicContact CE3-CG2 4.33Å; F556-V600 HydrophobicContact CE2-CB 4.28Å; F556-V600 HydrophobicContact CE2-CG1 3.86Å; F556-V600 HydrophobicContact CZ-CB 4.45Å; F556-V600 HydrophobicContact CZ-CG1 4.36Å; K596-V600 WeakPolarHBondContact O-CG2 3.01Å; K596-V600 PolarHBondContact O-N 2.97Å; K596-V600 VanDerWaalsContact O-N 3.1Å; L597-V600 WeakPolarHBondContact O-CB 3.37Å; L597-V600 PolarHBondContact O-N 3.28Å; L597-V600 VanDerWaalsContact O-N 3.08Å; Y598-V600 VanDerWaalsContact C-N 3.29Å; Y598-V600 PolarHBondContact O-N 3.08Å; V600-L602 VanDerWaalsContact C-N 3.28Å; V600-L602 PolarHBondContact O-N 3.4Å; V600-K603 WeakPolarHBondContact O-CB 3.25Å; V600-K603 PolarHBondContact O-N 3.03Å; V600-V604 PolarHBondContact O-N 3.19Å
601N94.1Very high91.6Very high8 Ų855.6 Ų55.64%0.04326%0.261CS..Hα-helixtrans-62.6-33.6179.3-16456.3000112.6F556 L597 Y598 K603 V604 K605 H606 V607 F612F556-N601 HydrophobicContact CE1-CB 3.9Å; F556-N601 HydrophobicContact CZ-CB 3.93Å; L597-N601 PolarHBondContact O-N 3.34Å; Y598-N601 PolarHBondContact O-N 3.1Å; Y598-N601 VanDerWaalsContact O-N 3.1Å; N601-K603 PolarHBondContact O-N 2.84Å; N601-K603 VanDerWaalsContact O-N 3.15Å; N601-V604 PolarHBondContact O-N 2.88Å; N601-K605 VanDerWaalsContact O-CA 3.24Å; N601-K605 WeakPolarHBondContact O-CA 3.39Å; N601-K605 PolarHBondContact O-N 3.24Å; N601-H606 PolarHBondContact OD1-N 3Å; N601-V607 PolarHBondContact ND2-O 3.47Å; N601-V607 PolarHBondContact OD1-N 2.89Å; N601-V607 PolarHBondContact OD1-O 2.83Å; N601-F612 HydrophobicContact CB-CE2 4Å; N601-F612 HydrophobicContact CB-CZ 4.02Å
602L89.6Confident91.5Very high99 Ų9955.6 Ų55.652%0.51826%0.262SS..Hα-helixtrans-58.5-25.2173.6-73.4178.3000113.5Y598 V600Y598-L602 HydrophobicContact CD1-CD1 4.28Å; Y598-L602 HydrophobicContact CE1-CD1 3.68Å; Y598-L602 HydrophobicContact CE1-CG 4.21Å; Y598-L602 HydrophobicContact CE2-CD1 4.49Å; Y598-L602 HydrophobicContact CE2-CD2 4.05Å; Y598-L602 HydrophobicContact CE2-CG 4.15Å; Y598-L602 WeakPolarHBondContact O-CG 3.04Å; Y598-L602 PolarHBondContact O-N 3.4Å; V600-L602 VanDerWaalsContact C-N 3.28Å; V600-L602 PolarHBondContact O-N 3.4Å
603K89.2Confident91.3Very high149 Ų14952.7 Ų52.765%0.64825%0.248SC*.Hα-helixtrans-87.4-41.4-179.1-63.3177.1-178.6175.20113.3V600 N601V600-K603 WeakPolarHBondContact O-CB 3.25Å; V600-K603 PolarHBondContact O-N 3.03Å; N601-K603 PolarHBondContact O-N 2.84Å; N601-K603 VanDerWaalsContact O-N 3.15Å
604V88Confident91Very high65 Ų6552.8 Ų52.839%0.39425%0.249SC..Hα-helixtrans-113.5-17.9-169.9-175.40000113.3V600 N601V600-V604 PolarHBondContact O-N 3.19Å; N601-V604 PolarHBondContact O-N 2.88Å
605K88.5Confident90.4Very high173 Ų17356.1 Ų56.175%0.75227%0.271SS*.  trans52.356.3-176.2-58.4-178.5-179.9-179.80112.3N601 V607N601-K605 VanDerWaalsContact O-CA 3.24Å; N601-K605 WeakPolarHBondContact O-CA 3.39Å; N601-K605 PolarHBondContact O-N 3.24Å; K605-V607 VanDerWaalsContact C-N 3.34Å
606H88.7Confident90Very high28 Ų2857 Ų5713%0.1328%0.275CS..  trans-65.3-37.3175.7-78.1-51.4000112.9W548 S549 V551 F556 N601W548-H606 PolarHBondContact O-CD2 2.66Å; W548-H606 PolarHBondContact O-NE2 2.87Å; S549-H606 VanDerWaalsContact C-NE2 3.34Å; S549-H606 PolarHBondContact O-NE2 3.08Å; V551-H606 PolarHBondContact O-CE1 2.75Å; F556-H606 HydrophobicContact CB-CB 4.13Å; F556-H606 HydrophobicContact CD1-CB 3.74Å; F556-H606 AromaticContact CD2-CD2 3.74Å; F556-H606 HydrophobicContact CE1-CB 4.29Å; F556-H606 HydrophobicContact CG-CB 3.89Å; F556-H606 AromaticContact CG-CD2 3.9Å; N601-H606 PolarHBondContact OD1-N 3Å
607V91.5Very high89.5Confident16 Ų1655.9 Ų55.910%0.09727%0.27CS..SBendtrans-132.5156.2178.2-62.30000110F556 M557 N601 K605 T611 F612F556-V607 HydrophobicContact CD1-CG1 4.25Å; F556-V607 HydrophobicContact CD1-CG2 4.16Å; F556-V607 HydrophobicContact CE1-CG2 4.13Å; M557-V607 HydrophobicContact CB-CG1 3.9Å; M557-V607 HydrophobicContact CG-CG1 4.38Å; N601-V607 PolarHBondContact ND2-O 3.47Å; N601-V607 PolarHBondContact OD1-N 2.89Å; N601-V607 PolarHBondContact OD1-O 2.83Å; K605-V607 VanDerWaalsContact C-N 3.34Å; V607-T611 HydrophobicContact CB-CG2 4.29Å; V607-T611 HydrophobicContact CG2-CG2 4.28Å; V607-F612 HydrophobicContact CG2-CD2 4.33Å; V607-F612 HydrophobicContact CG2-CE2 3.61Å; V607-F612 HydrophobicContact CG2-CZ 4.38Å
608E86.9Confident88.8Confident143 Ų14358.1 Ų58.167%0.66829%0.286SS*.  trans-62.5151.9172.8-68.1-58.6147.900111.2D610 T611E608-D610 VanDerWaalsContact C-N 3.28Å; E608-D610 WeakPolarHBondContact CB-OD1 3.45Å; E608-D610 PolarHBondContact O-N 3.36Å; E608-T611 VanDerWaalsContact O-CB 3.25Å; E608-T611 WeakPolarHBondContact O-CB 3.44Å; E608-T611 PolarHBondContact O-N 2.87Å; E608-T611 PolarHBondContact O-OG1 3.36Å
609Y84.6Confident88.2Confident39 Ų3961.4 Ų61.415%0.15331%0.313CS..G310 helixtrans-62.7-36-174.8175.5-92.9000112.5Y598 T611 F612 Y613 F655 K662 Q926 E929Y598-Y609 AromaticContact CE2-CD2 3.75Å; Y598-Y609 HydrophobicContact CE2-CD2 3.75Å; Y598-Y609 AromaticContact CE2-CE2 3.47Å; Y598-Y609 HydrophobicContact CE2-CE2 3.47Å; Y598-Y609 VanDerWaalsContact CE2-CE2 3.47Å; Y598-Y609 AromaticContact CZ-CE2 3.94Å; Y609-T611 PolarHBondContact O-N 3.29Å; Y609-F612 PolarHBondContact O-N 3.33Å; Y609-F612 VanDerWaalsContact O-N 3.13Å; Y609-Y613 AromaticContact CD1-CE1 3.73Å; Y609-Y613 HydrophobicContact CD1-CE1 3.73Å; Y609-Y613 AromaticContact CD1-CZ 3.69Å; Y609-Y613 WeakPolarHBondContact CD1-OH 3.31Å; Y609-Y613 HydrophobicContact CE1-CD1 4.43Å; Y609-Y613 AromaticContact CE1-CE1 3.27Å; Y609-Y613 HydrophobicContact CE1-CE1 3.27Å; Y609-Y613 AromaticContact CE1-CZ 3.55Å; Y609-Y613 WeakPolarHBondContact CE1-OH 3.45Å; Y609-F655 HydrophobicContact CE2-CB 4.26Å; Y609-K662 PolarHBondContact OH-NZ 3.41Å; Y609-Q926 HydrophobicContact CD1-CG 3.95Å; Y609-Q926 HydrophobicContact CD2-CG 4.26Å; Y609-Q926 HydrophobicContact CE1-CB 4.27Å; Y609-Q926 HydrophobicContact CE1-CG 3.28Å; Y609-Q926 HydrophobicContact CE2-CG 3.68Å; Y609-Q926 HydrophobicContact CG-CG 4.39Å; Y609-Q926 VanDerWaalsContact OH-CG 3.28Å; Y609-Q926 WeakPolarHBondContact OH-CG 3.38Å; Y609-E929 WeakPolarHBondContact CE1-OE1 3.32Å
610D85.2Confident87.6Confident94 Ų9459 Ų5950%0.50331%0.306SS..G310 helixtrans-61.6-22.6177.563.7-10.5000114E608 F612 Y613E608-D610 VanDerWaalsContact C-N 3.28Å; E608-D610 WeakPolarHBondContact CB-OD1 3.45Å; E608-D610 PolarHBondContact O-N 3.36Å; D610-F612 PolarHBondContact O-N 3.01Å; D610-F612 VanDerWaalsContact O-N 3.14Å; D610-Y613 HydrophobicContact CB-CD2 3.82Å; D610-Y613 HydrophobicContact CB-CE2 3.63Å; D610-Y613 WeakPolarHBondContact O-CB 3.36Å; D610-Y613 WeakPolarHBondContact O-CD2 3.43Å; D610-Y613 PolarHBondContact O-N 2.7Å
611T89.5Confident87Confident25 Ų2559.7 Ų59.715%0.15331%0.31CS..G310 helixtrans-62.7-22.3176.8-58.30000111.4M557 K564 V607 E608 Y609M557-T611 HydrophobicContact CE-CG2 4.22Å; M557-T611 HydrophobicContact CG-CG2 4.44Å; K564-T611 WeakPolarHBondContact CD-O 3.46Å; K564-T611 WeakPolarHBondContact CE-O 3.49Å; K564-T611 PolarHBondContact NZ-O 3.18Å; V607-T611 HydrophobicContact CB-CG2 4.29Å; V607-T611 HydrophobicContact CG2-CG2 4.28Å; E608-T611 VanDerWaalsContact O-CB 3.25Å; E608-T611 WeakPolarHBondContact O-CB 3.44Å; E608-T611 PolarHBondContact O-N 2.87Å; E608-T611 PolarHBondContact O-OG1 3.36Å; Y609-T611 PolarHBondContact O-N 3.29Å
612F91.3Very high86.4Confident1 Ų163 Ų630%0.00433%0.327CS..G310 helixtrans-82.5-14.8176.1-74.6-93.8000114.1F556 V560 L597 N601 V607 Y609 D610 F655F556-F612 HydrophobicContact CE1-CZ 4.11Å; V560-F612 HydrophobicContact CB-CE1 4.48Å; V560-F612 HydrophobicContact CG1-CD1 3.92Å; V560-F612 HydrophobicContact CG1-CE1 3.88Å; V560-F612 HydrophobicContact CG1-CG 4.34Å; V560-F612 HydrophobicContact CG1-CZ 4.25Å; V560-F612 HydrophobicContact CG2-CE1 3.73Å; V560-F612 HydrophobicContact CG2-CE2 4.38Å; V560-F612 HydrophobicContact CG2-CZ 3.61Å; L597-F612 HydrophobicContact CB-CE1 4.3Å; N601-F612 HydrophobicContact CB-CE2 4Å; N601-F612 HydrophobicContact CB-CZ 4.02Å; V607-F612 HydrophobicContact CG2-CD2 4.33Å; V607-F612 HydrophobicContact CG2-CE2 3.61Å; V607-F612 HydrophobicContact CG2-CZ 4.38Å; Y609-F612 PolarHBondContact O-N 3.33Å; Y609-F612 VanDerWaalsContact O-N 3.13Å; D610-F612 PolarHBondContact O-N 3.01Å; D610-F612 VanDerWaalsContact O-N 3.14Å; F612-F655 HydrophobicContact CB-CD2 4.1Å; F612-F655 HydrophobicContact CD1-CD2 4.03Å; F612-F655 HydrophobicContact CD1-CE2 4.28Å; F612-F655 HydrophobicContact CG-CD2 4.39Å
613Y90.9Very high86.2Confident38 Ų3858.5 Ų58.515%0.14930%0.304CS..  trans-64.3142.6-179.8-59.9-24.4000112.5K564 Y609 D610 F657 D658 E929K564-Y613 WeakPolarHBondContact CE-O 3.1Å; K564-Y613 PolarHBondContact NZ-O 3.41Å; Y609-Y613 AromaticContact CD1-CE1 3.73Å; Y609-Y613 HydrophobicContact CD1-CE1 3.73Å; Y609-Y613 AromaticContact CD1-CZ 3.69Å; Y609-Y613 WeakPolarHBondContact CD1-OH 3.31Å; Y609-Y613 HydrophobicContact CE1-CD1 4.43Å; Y609-Y613 AromaticContact CE1-CE1 3.27Å; Y609-Y613 HydrophobicContact CE1-CE1 3.27Å; Y609-Y613 AromaticContact CE1-CZ 3.55Å; Y609-Y613 WeakPolarHBondContact CE1-OH 3.45Å; D610-Y613 HydrophobicContact CB-CD2 3.82Å; D610-Y613 HydrophobicContact CB-CE2 3.63Å; D610-Y613 WeakPolarHBondContact O-CB 3.36Å; D610-Y613 WeakPolarHBondContact O-CD2 3.43Å; D610-Y613 PolarHBondContact O-N 2.7Å; Y613-F657 WeakPolarHBondContact CD1-O 3.47Å; Y613-F657 VanDerWaalsContact CE1-O 3.28Å; Y613-F657 WeakPolarHBondContact CE1-O 3.42Å; Y613-D658 HydrophobicContact CD2-CB 4.17Å; Y613-D658 HydrophobicContact CG-CB 4.27Å; Y613-E929 WeakPolarHBondContact CE1-OE1 3.49Å; Y613-E929 PolarHBondContact OH-OE1 3.26Å
614I88.4Confident85.8Confident2 Ų254.7 Ų54.71%0.0129%0.288CS..  trans-122.883.4174.1-52.6178.4000107.8K564 V567 L568 E616 I617 I656K564-I614 HydrophobicContact CB-CD1 4.31Å; K564-I614 HydrophobicContact CB-CG1 4.44Å; K564-I614 HydrophobicContact CG-CD1 4.15Å; K564-I614 HydrophobicContact CG-CG1 4.12Å; V567-I614 HydrophobicContact CB-CD1 4.28Å; V567-I614 HydrophobicContact CG1-CD1 4.1Å; L568-I614 HydrophobicContact CD1-CG2 4.06Å; L568-I614 HydrophobicContact CD2-CG2 3.31Å; L568-I614 HydrophobicContact CG-CG2 3.63Å; I614-E616 PolarHBondContact O-N 3.18Å; I614-E616 VanDerWaalsContact O-N 3.16Å; I614-I617 HydrophobicContact CB-CD1 3.67Å; I614-I617 HydrophobicContact CB-CG1 3.9Å; I614-I617 HydrophobicContact CD1-CD1 4.22Å; I614-I617 HydrophobicContact CG1-CD1 4.43Å; I614-I617 HydrophobicContact CG2-CD1 3.98Å; I614-I617 HydrophobicContact CG2-CG1 3.7Å; I614-I617 WeakPolarHBondContact O-CB 3.35Å; I614-I617 WeakPolarHBondContact O-CG1 3.42Å; I614-I617 PolarHBondContact O-N 2.86Å; I614-I617 VanDerWaalsContact O-N 3.14Å; I614-I656 HydrophobicContact CD1-CB 4.28Å; I614-I656 HydrophobicContact CD1-CG2 4.46Å; I614-I656 HydrophobicContact CG1-CB 4.43Å; I614-I656 PolarHBondContact N-O 3.22Å
615P83.9Confident85.6Confident72 Ų7257 Ų5747%0.46829%0.294SS..THydrogen-bonded Turntrans-58.6-29.9-174.1-24.534.8000113.7I617 S618P615-I617 PolarHBondContact O-N 3.47Å; P615-I617 VanDerWaalsContact O-N 3.16Å; P615-S618 PolarHBondContact O-N 2.92Å
616E85.3Confident85.4Confident75 Ų7549.7 Ų49.735%0.3526%0.264SS..THydrogen-bonded Turntrans-67.9-16-177.7-53.887.3158.700113L568 I614 S618 S619 L620L568-E616 HydrophobicContact CD2-CB 3.78Å; L568-E616 HydrophobicContact CD2-CG 4.38Å; I614-E616 PolarHBondContact O-N 3.18Å; I614-E616 VanDerWaalsContact O-N 3.16Å; E616-S618 PolarHBondContact O-N 3.43Å; E616-S619 PolarHBondContact O-N 3.01Å; E616-S619 VanDerWaalsContact O-N 3.09Å; E616-S619 PolarHBondContact O-OG 3.35Å; E616-L620 HydrophobicContact CB-CD1 4.42Å; E616-L620 WeakPolarHBondContact O-CG 3.33Å; E616-L620 PolarHBondContact O-N 3.22Å
617I84.7Confident85.1Confident1 Ų148.4 Ų48.41%0.00526%0.258CS..Hα-helixtrans-55.8-38.9175-67.5177.2000110.5L571 I614 P615 S619 L620 V621 L650 I656 F657L571-I617 HydrophobicContact CD1-CD1 4.45Å; L571-I617 HydrophobicContact CD1-CG1 3.9Å; I614-I617 HydrophobicContact CB-CD1 3.67Å; I614-I617 HydrophobicContact CB-CG1 3.9Å; I614-I617 HydrophobicContact CD1-CD1 4.22Å; I614-I617 HydrophobicContact CG1-CD1 4.43Å; I614-I617 HydrophobicContact CG2-CD1 3.98Å; I614-I617 HydrophobicContact CG2-CG1 3.7Å; I614-I617 WeakPolarHBondContact O-CB 3.35Å; I614-I617 WeakPolarHBondContact O-CG1 3.42Å; I614-I617 PolarHBondContact O-N 2.86Å; I614-I617 VanDerWaalsContact O-N 3.14Å; P615-I617 PolarHBondContact O-N 3.47Å; P615-I617 VanDerWaalsContact O-N 3.16Å; I617-S619 PolarHBondContact O-N 2.85Å; I617-S619 VanDerWaalsContact O-N 3.14Å; I617-L620 PolarHBondContact O-N 3.32Å; I617-L620 VanDerWaalsContact O-N 3.08Å; I617-V621 HydrophobicContact CG2-CB 4.26Å; I617-V621 HydrophobicContact CG2-CG2 4.37Å; I617-V621 PolarHBondContact O-N 3.14Å; I617-L650 HydrophobicContact CG2-CD1 3.97Å; I617-I656 HydrophobicContact CD1-CB 4.23Å; I617-I656 HydrophobicContact CD1-CD1 3.7Å; I617-I656 HydrophobicContact CD1-CG1 3.76Å; I617-F657 HydrophobicContact CG2-CD1 4.26Å; I617-F657 HydrophobicContact CG2-CE1 3.66Å
618S81.3Confident84.7Confident47 Ų4750.6 Ų50.633%0.32927%0.269SS..Hα-helixtrans-60.3-24.7-179.7-59.10000114.1P615 E616P615-S618 PolarHBondContact O-N 2.92Å; E616-S618 PolarHBondContact O-N 3.43Å
619S82.4Confident84.4Confident102 Ų10247.7 Ų47.771%0.71326%0.256SS*.Hα-helixtrans-96-22.6176.464.70000113.7E616 I617E616-S619 PolarHBondContact O-N 3.01Å; E616-S619 VanDerWaalsContact O-N 3.09Å; E616-S619 PolarHBondContact O-OG 3.35Å; I617-S619 PolarHBondContact O-N 2.85Å; I617-S619 VanDerWaalsContact O-N 3.14Å
620L81Confident84.4Confident62 Ų6246.5 Ų46.533%0.32525%0.251SS..Hα-helixtrans-95.6-25.2-174.5-66.4174.8000113.5L568 L571 R572 E616 I617L568-L620 HydrophobicContact CD2-CD1 4.32Å; L571-L620 HydrophobicContact CB-CD1 4.12Å; R572-L620 HydrophobicContact CG-CD1 3.91Å; R572-L620 HydrophobicContact CG-CD2 4.1Å; E616-L620 HydrophobicContact CB-CD1 4.42Å; E616-L620 WeakPolarHBondContact O-CG 3.33Å; E616-L620 PolarHBondContact O-N 3.22Å; I617-L620 PolarHBondContact O-N 3.32Å; I617-L620 VanDerWaalsContact O-N 3.08Å
621V81.8Confident84.2Confident15 Ų1545.1 Ų45.19%0.09124%0.241CC..SBendtrans-129.6138-174.7-176.90000109.7L571 I617 I623 D626 L650L571-V621 HydrophobicContact CD2-CG2 4Å; I617-V621 HydrophobicContact CG2-CB 4.26Å; I617-V621 HydrophobicContact CG2-CG2 4.37Å; I617-V621 PolarHBondContact O-N 3.14Å; V621-I623 PolarHBondContact O-N 3.36Å; V621-I623 VanDerWaalsContact O-N 3.08Å; V621-D626 HydrophobicContact CG1-CB 4.4Å; V621-L650 HydrophobicContact CB-CD1 4.39Å; V621-L650 HydrophobicContact CG1-CD1 4.24Å; V621-L650 HydrophobicContact CG2-CD1 3.91Å
622D82.6Confident83.6Confident78 Ų7847.3 Ų47.342%0.41725%0.252SS..  trans-73.7100.5168-166.5-17.4000109.8Q624 E625 D626D622-Q624 PolarHBondContact O-N 2.97Å; D622-Q624 WeakPolarHBondContact OD1-CB 3.39Å; D622-Q624 PolarHBondContact OD1-N 3.09Å; D622-E625 HydrophobicContact CB-CB 4.16Å; D622-E625 PolarHBondContact O-N 3.11Å; D622-D626 PolarHBondContact O-N 2.96Å; D622-D626 VanDerWaalsContact O-N 3.07Å
623I83.6Confident82.9Confident4 Ų454.1 Ų54.12%0.02128%0.283CS..Hα-helixtrans-58.8-33179.5-64.5163.2000111.6V621 Y627 A661 K664 M665V621-I623 PolarHBondContact O-N 3.36Å; V621-I623 VanDerWaalsContact O-N 3.08Å; I623-Y627 WeakPolarHBondContact O-CB 3.41Å; I623-Y627 PolarHBondContact O-N 3.32Å; I623-A661 HydrophobicContact CD1-CB 3.58Å; I623-K664 HydrophobicContact CB-CD 4.45Å; I623-K664 HydrophobicContact CD1-CD 4.49Å; I623-M665 HydrophobicContact CG2-CE 3.6Å; I623-M665 HydrophobicContact CG2-CG 3.4Å; I623-M665 VanDerWaalsContact CG2-CG 3.4Å; I623-M665 HydrophobicContact CG2-SD 4.4Å
624Q82.7Confident82Confident68 Ų6856.3 Ų56.332%0.31829%0.294SS..Hα-helixtrans-69-46.1-177.7-55.6-172.7-53.100110.1D622 Y627 L628 K664 T668D622-Q624 PolarHBondContact O-N 2.97Å; D622-Q624 WeakPolarHBondContact OD1-CB 3.39Å; D622-Q624 PolarHBondContact OD1-N 3.09Å; Q624-Y627 PolarHBondContact O-N 3.33Å; Q624-L628 VanDerWaalsContact O-CG 3.27Å; Q624-L628 WeakPolarHBondContact O-CG 3.42Å; Q624-L628 PolarHBondContact O-N 3.17Å; Q624-K664 HydrophobicContact CG-CD 4.37Å; Q624-K664 HydrophobicContact CG-CG 4.35Å; Q624-T668 HydrophobicContact CB-CG2 4.08Å; Q624-T668 HydrophobicContact CG-CG2 4.45Å; Q624-T668 WeakPolarHBondContact CG-OG1 3.11Å
625E82.3Confident80.9Confident113 Ų11359.1 Ų59.153%0.52832%0.318SS..Hα-helixtrans-64.7-44.1177.1-167.9179.9-172.700111.7D622 Y627 L628 M629D622-E625 HydrophobicContact CB-CB 4.16Å; D622-E625 PolarHBondContact O-N 3.11Å; E625-Y627 PolarHBondContact O-N 2.88Å; E625-L628 PolarHBondContact O-N 3.19Å; E625-M629 HydrophobicContact CG-CE 4.41Å; E625-M629 VanDerWaalsContact O-CG 3.27Å; E625-M629 WeakPolarHBondContact O-CG 3.21Å; E625-M629 PolarHBondContact O-N 3.07Å
626D83.9Confident79.9Confident21 Ų2158.7 Ų58.711%0.11233%0.327CS..Hα-helixtrans-62.3-40.9178.5-169.180.6000112.1V621 D622 M629 W630 T649 L650 C651V621-D626 HydrophobicContact CG1-CB 4.4Å; D622-D626 PolarHBondContact O-N 2.96Å; D622-D626 VanDerWaalsContact O-N 3.07Å; D626-M629 PolarHBondContact O-N 3.4Å; D626-W630 WeakPolarHBondContact O-CB 3.41Å; D626-W630 PolarHBondContact O-N 3.33Å; D626-T649 WeakPolarHBondContact OD1-CA 3.33Å; D626-L650 PolarHBondContact OD1-N 3.21Å; D626-L650 VanDerWaalsContact OD1-N 3.13Å; D626-L650 WeakPolarHBondContact OD2-CA 3.18Å; D626-L650 PolarHBondContact OD2-N 3.44Å; D626-C651 PolarHBondContact OD2-N 3.44Å; D626-C651 PolarHBondContact OD2-SG 3.25Å
627Y84.4Confident78.6Confident1 Ų161.6 Ų61.60%0.00434%0.342CS..Hα-helixtrans-62.6-46.7174.8177.9-102.8000112I623 Q624 E625 M629 W630 F631 M665 T668 D669 V921 L924I623-Y627 WeakPolarHBondContact O-CB 3.41Å; I623-Y627 PolarHBondContact O-N 3.32Å; Q624-Y627 PolarHBondContact O-N 3.33Å; E625-Y627 PolarHBondContact O-N 2.88Å; Y627-M629 VanDerWaalsContact C-N 3.32Å; Y627-M629 PolarHBondContact O-N 3.36Å; Y627-W630 HydrophobicContact CD2-CE3 4.11Å; Y627-W630 HydrophobicContact CD2-CZ3 4.44Å; Y627-W630 AromaticContact CE2-CE3 3.86Å; Y627-W630 HydrophobicContact CE2-CE3 3.86Å; Y627-W630 AromaticContact CE2-CZ3 3.78Å; Y627-W630 HydrophobicContact CE2-CZ3 3.78Å; Y627-W630 PolarHBondContact O-N 2.96Å; Y627-F631 WeakPolarHBondContact O-CB 3.24Å; Y627-F631 PolarHBondContact O-N 3.35Å; Y627-M665 HydrophobicContact CD2-CB 4.08Å; Y627-M665 HydrophobicContact CD2-CG 4.38Å; Y627-M665 HydrophobicContact CG-CB 4.33Å; Y627-T668 HydrophobicContact CD1-CG2 4.19Å; Y627-D669 HydrophobicContact CE1-CB 3.74Å; Y627-D669 WeakPolarHBondContact OH-CB 3.47Å; Y627-D669 PolarHBondContact OH-OD1 3.41Å; Y627-V921 HydrophobicContact CE2-CB 4.2Å; Y627-V921 HydrophobicContact CE2-CG2 3.98Å; Y627-L924 HydrophobicContact CE2-CD1 4.41Å
628L82.1Confident76.8Confident62 Ų6271.2 Ų71.233%0.32538%0.384SS..Hα-helixtrans-60.4-42.8177.9-70.7172.5000111.5Q624 E625 F631 L632 T668 L672Q624-L628 VanDerWaalsContact O-CG 3.27Å; Q624-L628 WeakPolarHBondContact O-CG 3.42Å; Q624-L628 PolarHBondContact O-N 3.17Å; E625-L628 PolarHBondContact O-N 3.19Å; L628-F631 PolarHBondContact O-N 2.91Å; L628-L632 WeakPolarHBondContact O-CB 3.49Å; L628-L632 VanDerWaalsContact O-CG 3.24Å; L628-L632 WeakPolarHBondContact O-CG 3.31Å; L628-L632 PolarHBondContact O-N 3.5Å; L628-T668 HydrophobicContact CD2-CG2 4.47Å; L628-T668 HydrophobicContact CG-CG2 4.4Å; L628-L672 HydrophobicContact CD2-CD1 4.44Å; L628-L672 HydrophobicContact CD2-CD2 3.91Å
629M79.9Confident75Confident81 Ų8173 Ų7340%0.39940%0.402SS..Hα-helixtrans-63.7-41.8176.4-68.6-64.4173.100111.9E625 D626 Y627 H633 T649E625-M629 HydrophobicContact CG-CE 4.41Å; E625-M629 VanDerWaalsContact O-CG 3.27Å; E625-M629 WeakPolarHBondContact O-CG 3.21Å; E625-M629 PolarHBondContact O-N 3.07Å; D626-M629 PolarHBondContact O-N 3.4Å; Y627-M629 VanDerWaalsContact C-N 3.32Å; Y627-M629 PolarHBondContact O-N 3.36Å; M629-H633 WeakPolarHBondContact O-CB 3.5Å; M629-H633 PolarHBondContact O-N 3.04Å; M629-T649 HydrophobicContact CB-CG2 4.04Å
630W85.1Confident72.9Confident14 Ų1479.1 Ų79.15%0.05341%0.409CS..Hα-helixtrans-63.8-45.5175.5175.688.3000112.4D626 Y627 H633 Q634 T649 C651 K920 L924D626-W630 WeakPolarHBondContact O-CB 3.41Å; D626-W630 PolarHBondContact O-N 3.33Å; Y627-W630 HydrophobicContact CD2-CE3 4.11Å; Y627-W630 HydrophobicContact CD2-CZ3 4.44Å; Y627-W630 AromaticContact CE2-CE3 3.86Å; Y627-W630 HydrophobicContact CE2-CE3 3.86Å; Y627-W630 AromaticContact CE2-CZ3 3.78Å; Y627-W630 HydrophobicContact CE2-CZ3 3.78Å; Y627-W630 PolarHBondContact O-N 2.96Å; W630-H633 PolarHBondContact O-N 3.48Å; W630-Q634 HydrophobicContact CD2-CG 4.37Å; W630-Q634 VanDerWaalsContact CE2-NE2 3.32Å; W630-Q634 HydrophobicContact CZ2-CG 4.35Å; W630-Q634 WeakPolarHBondContact O-CG 3.26Å; W630-Q634 PolarHBondContact O-N 3.43Å; W630-T649 HydrophobicContact CB-CG2 4.09Å; W630-C651 HydrophobicContact CB-CB 3.7Å; W630-C651 HydrophobicContact CD2-CB 4.04Å; W630-C651 HydrophobicContact CG-CB 3.59Å; W630-K920 HydrophobicContact CH2-CB 3.97Å; W630-L924 HydrophobicContact CH2-CD1 4.42Å; W630-L924 HydrophobicContact CH2-CD2 4.03Å; W630-L924 HydrophobicContact CZ2-CD2 3.97Å
631F80.4Confident70.9Confident65 Ų6582.7 Ų82.729%0.28544%0.436SS..Hα-helixtrans-61.2-46.5178.6-178.8-94.2000111.4Y627 L628 H633 Q634 A635 L672Y627-F631 WeakPolarHBondContact O-CB 3.24Å; Y627-F631 PolarHBondContact O-N 3.35Å; L628-F631 PolarHBondContact O-N 2.91Å; F631-H633 PolarHBondContact O-N 3.22Å; F631-Q634 PolarHBondContact O-N 2.99Å; F631-A635 WeakPolarHBondContact O-CB 3.36Å; F631-A635 PolarHBondContact O-N 3.03Å; F631-L672 HydrophobicContact CD1-CD2 4.23Å; F631-L672 HydrophobicContact CE1-CD2 4.21Å
632L77.7Confident68.7Low72 Ų7286.4 Ų86.438%0.37746%0.462SS..Hα-helixtrans-62.4-41.3176.7-71.7171.8000112.3L628 Q634 A635 G636 M637L628-L632 WeakPolarHBondContact O-CB 3.49Å; L628-L632 VanDerWaalsContact O-CG 3.24Å; L628-L632 WeakPolarHBondContact O-CG 3.31Å; L628-L632 PolarHBondContact O-N 3.5Å; L632-Q634 VanDerWaalsContact C-N 3.35Å; L632-A635 PolarHBondContact O-N 3.38Å; L632-G636 PolarHBondContact O-N 3.33Å; L632-M637 PolarHBondContact O-N 2.96Å
633H75.6Confident66.8Low143 Ų14391 Ų9166%0.66249%0.486SS*.Hα-helixtrans-63-41.5176.7-174.1-93.1000111.6M629 W630 F631 A635 G636M629-H633 WeakPolarHBondContact O-CB 3.5Å; M629-H633 PolarHBondContact O-N 3.04Å; W630-H633 PolarHBondContact O-N 3.48Å; F631-H633 PolarHBondContact O-N 3.22Å; H633-A635 VanDerWaalsContact C-N 3.33Å; H633-A635 PolarHBondContact O-N 3.5Å; H633-G636 PolarHBondContact O-N 3.18Å
634Q71.9Confident64.7Low84 Ų8496.6 Ų96.639%0.39351%0.514SS..Hα-helixtrans-67.5-30.4175.2-72.8-139.60.800113.8W630 F631 L632 G636W630-Q634 HydrophobicContact CD2-CG 4.37Å; W630-Q634 VanDerWaalsContact CE2-NE2 3.32Å; W630-Q634 HydrophobicContact CZ2-CG 4.35Å; W630-Q634 WeakPolarHBondContact O-CG 3.26Å; W630-Q634 PolarHBondContact O-N 3.43Å; F631-Q634 PolarHBondContact O-N 2.99Å; L632-Q634 VanDerWaalsContact C-N 3.35Å; Q634-G636 PolarHBondContact O-N 3.43Å
635A66.6Low62.8Low61 Ų61101.6 Ų101.650%0.50454%0.537SS..THydrogen-bonded Turntrans-780.6178.300000113.7F631 L632 H633 M637F631-A635 WeakPolarHBondContact O-CB 3.36Å; F631-A635 PolarHBondContact O-N 3.03Å; L632-A635 PolarHBondContact O-N 3.38Å; H633-A635 VanDerWaalsContact C-N 3.33Å; H633-A635 PolarHBondContact O-N 3.5Å; A635-M637 PolarHBondContact O-N 3.49Å
636G62Low61.2Low64 Ų64103 Ų10366%0.6655%0.548SS*.THydrogen-bonded Turntrans70.69179.800000114.3L632 H633 Q634 K638L632-G636 PolarHBondContact O-N 3.33Å; H633-G636 PolarHBondContact O-N 3.18Å; Q634-G636 PolarHBondContact O-N 3.43Å; G636-K638 PolarHBondContact O-N 3.47Å
637M57.8Low59.9Low135 Ų135104.8 Ų104.867%0.66556%0.56SS**  trans-83.498.9178.4-70.4-158.1158.400109.8L632 A635 A639L632-M637 PolarHBondContact O-N 2.96Å; A635-M637 PolarHBondContact O-N 3.49Å; M637-A639 PolarHBondContact O-N 2.86Å; M637-A639 VanDerWaalsContact O-N 3.08Å
638K47.2Very low59.1Low204 Ų204106.4 Ų106.489%0.88757%0.57SS**  trans-66107.7169.9-69.4-175.8179.5-178.10108.8G636G636-K638 PolarHBondContact O-N 3.47Å
639A44.5Very low58.9Low84 Ų84104.1 Ų104.169%0.69456%0.559SS**  trans-54.1146.7168.700000110.2M637M637-A639 PolarHBondContact O-N 2.86Å; M637-A639 VanDerWaalsContact O-N 3.08Å
640R38.4Very low59Low230 Ų230100.5 Ų100.587%0.86854%0.541SS*.  trans-52.3146.4177.3-86.1-179.4173.5173.7-1.3110.8S642R640-S642 PolarHBondContact O-N 3.34Å
641P38.9Very low59Low138 Ų138100 Ų10090%0.89654%0.539SS*.  trans-74.889-176.230.8-32.7000110.5
642S35.8Very low59.2Low92 Ų9299.7 Ų99.764%0.64355%0.546SS*.SBendtrans-122.392.7158.351.10000109R640 I644R640-S642 PolarHBondContact O-N 3.34Å; S642-I644 VanDerWaalsContact C-N 3.3Å; S642-I644 PolarHBondContact O-N 3.22Å
643I41.5Very low59.7Low176 Ų17697.1 Ų97.190%0.90353%0.531SS*.SBendtrans69.2-14.5155-54.4174000118.5
644I40.9Very low60.3Low120 Ų12091.9 Ų91.962%0.61551%0.51SS*.  trans-108.186.1-178.4-50.6-178.2000111S642 T647S642-I644 VanDerWaalsContact C-N 3.3Å; S642-I644 PolarHBondContact O-N 3.22Å; I644-T647 HydrophobicContact CG2-CG2 3.18Å; I644-T647 WeakPolarHBondContact CG2-OG1 3.46Å
645Q41.6Very low61.1Low173 Ų17388.3 Ų88.381%0.80849%0.493SS*.  trans-71.8133.6162.8-94.3173.7-38.800109.8T647Q645-T647 PolarHBondContact O-N 3.04Å
646D48.4Very low62.3Low142 Ų14285.4 Ų85.476%0.75947%0.469SS*.  trans40.455.8164.4-61.2-19.2000116.1N584 V648N584-D646 PolarHBondContact ND2-O 3.12Å; D646-V648 PolarHBondContact O-N 2.79Å
647T57.3Low63.6Low60 Ų6082.6 Ų82.637%0.36844%0.439SS..PPolyproline II helixtrans-71.1124165.735.60000110.4I644 Q645 T649I644-T647 HydrophobicContact CG2-CG2 3.18Å; I644-T647 WeakPolarHBondContact CG2-OG1 3.46Å; Q645-T647 PolarHBondContact O-N 3.04Å; T647-T649 PolarHBondContact O-N 3.21Å
648V66.9Low64.9Low34 Ų3477.2 Ų77.221%0.20641%0.413CS..PPolyproline II helixtrans-60.7119.2171.4-174.60000108.4N584 I587 T588 L591 D646 Y653N584-V648 HydrophobicContact CB-CG2 4.38Å; I587-V648 HydrophobicContact CG2-CB 4.43Å; I587-V648 HydrophobicContact CG2-CG2 4.12Å; T588-V648 WeakPolarHBondContact OG1-CG2 3.27Å; L591-V648 HydrophobicContact CD1-CG1 3.99Å; D646-V648 PolarHBondContact O-N 2.79Å; V648-Y653 HydrophobicContact CG1-CE2 4.24Å
649T78.3Confident66.7Low14 Ų1468.4 Ų68.49%0.08638%0.378CS..PPolyproline II helixtrans-86.8122.3172.750.80000109.1D626 M629 W630 T647 C651 S652D626-T649 WeakPolarHBondContact OD1-CA 3.33Å; M629-T649 HydrophobicContact CB-CG2 4.04Å; W630-T649 HydrophobicContact CB-CG2 4.09Å; T647-T649 PolarHBondContact O-N 3.21Å; T649-C651 PolarHBondContact O-N 2.99Å; T649-S652 VanDerWaalsContact O-CB 3.31Å; T649-S652 WeakPolarHBondContact O-CB 3.49Å; T649-S652 PolarHBondContact O-N 3.2Å; T649-S652 VanDerWaalsContact O-N 3.13Å; T649-S652 PolarHBondContact O-OG 3.14Å; T649-S652 PolarHBondContact OG1-OG 2.67Å
650L83.3Confident68.5Low6 Ų668.2 Ų68.23%0.03136%0.363CS..G310 helixtrans-64.4-31.2179.8-67.1-178.5000111L571 I587 L591 I617 V621 D626 S652 Y653 I656 F657L571-L650 HydrophobicContact CD1-CD1 4.44Å; L571-L650 HydrophobicContact CD2-CD1 4.34Å; I587-L650 HydrophobicContact CD1-CD2 4.39Å; L591-L650 HydrophobicContact CD1-CD2 3.61Å; L591-L650 HydrophobicContact CD2-CD2 4.38Å; I617-L650 HydrophobicContact CG2-CD1 3.97Å; V621-L650 HydrophobicContact CB-CD1 4.39Å; V621-L650 HydrophobicContact CG1-CD1 4.24Å; V621-L650 HydrophobicContact CG2-CD1 3.91Å; D626-L650 PolarHBondContact OD1-N 3.21Å; D626-L650 VanDerWaalsContact OD1-N 3.13Å; D626-L650 WeakPolarHBondContact OD2-CA 3.18Å; D626-L650 PolarHBondContact OD2-N 3.44Å; L650-S652 PolarHBondContact O-N 3.02Å; L650-Y653 PolarHBondContact O-N 2.93Å; L650-I656 HydrophobicContact CB-CD1 4.27Å; L650-I656 HydrophobicContact CD2-CD1 4.27Å; L650-F657 HydrophobicContact CB-CE2 4.16Å; L650-F657 HydrophobicContact CB-CZ 3.58Å; L650-F657 WeakPolarHBondContact O-CE2 3.44Å
651C83.5Confident70.8Confident2 Ų257.4 Ų57.41%0.01432%0.322CS..G310 helixtrans-55.9-17.1173.3-67.20000114.3D626 W630 T649 Y653D626-C651 PolarHBondContact OD2-N 3.44Å; D626-C651 PolarHBondContact OD2-SG 3.25Å; W630-C651 HydrophobicContact CB-CB 3.7Å; W630-C651 HydrophobicContact CD2-CB 4.04Å; W630-C651 HydrophobicContact CG-CB 3.59Å; T649-C651 PolarHBondContact O-N 2.99Å; C651-Y653 PolarHBondContact O-N 2.98Å
652S84.9Confident73.1Confident60 Ų6050.9 Ų50.942%0.4228%0.28SS..G310 helixtrans-68-12.5169.9-59.50000113.5T649 L650T649-S652 VanDerWaalsContact O-CB 3.31Å; T649-S652 WeakPolarHBondContact O-CB 3.49Å; T649-S652 PolarHBondContact O-N 3.2Å; T649-S652 VanDerWaalsContact O-N 3.13Å; T649-S652 PolarHBondContact O-OG 3.14Å; T649-S652 PolarHBondContact OG1-OG 2.67Å; L650-S652 PolarHBondContact O-N 3.02Å
653Y89.4Confident75.5Confident18 Ų1846.9 Ų46.97%0.07125%0.252CS..  trans-125.573-178.3-56.1-85.1000110.9L591 K592 E595 V648 L650 C651 F655 I656L591-Y653 HydrophobicContact CB-CD1 4.17Å; L591-Y653 HydrophobicContact CB-CD2 3.99Å; L591-Y653 HydrophobicContact CB-CE1 3.95Å; L591-Y653 HydrophobicContact CB-CE2 3.76Å; L591-Y653 HydrophobicContact CB-CG 4.19Å; L591-Y653 HydrophobicContact CD1-CD2 3.88Å; L591-Y653 HydrophobicContact CD1-CE2 3.82Å; L591-Y653 HydrophobicContact CD2-CD2 4.35Å; L591-Y653 HydrophobicContact CD2-CG 4.43Å; L591-Y653 HydrophobicContact CG-CD2 4.3Å; L591-Y653 HydrophobicContact CG-CE2 4.35Å; K592-Y653 HydrophobicContact CG-CE1 4.39Å; K592-Y653 WeakPolarHBondContact CG-OH 3.33Å; E595-Y653 HydrophobicContact CB-CD1 4.07Å; E595-Y653 HydrophobicContact CB-CE1 4.12Å; E595-Y653 HydrophobicContact CG-CD1 4.34Å; E595-Y653 HydrophobicContact CG-CE1 4.47Å; V648-Y653 HydrophobicContact CG1-CE2 4.24Å; L650-Y653 PolarHBondContact O-N 2.93Å; C651-Y653 PolarHBondContact O-N 2.98Å; Y653-F655 AromaticContact CD1-CE1 3.95Å; Y653-F655 HydrophobicContact CD1-CE1 3.95Å; Y653-F655 HydrophobicContact CD1-CZ 4.2Å; Y653-F655 HydrophobicContact CG-CE1 4.39Å; Y653-F655 PolarHBondContact O-N 3.31Å; Y653-I656 VanDerWaalsContact O-CG1 3.31Å; Y653-I656 WeakPolarHBondContact O-CG1 3.46Å; Y653-I656 PolarHBondContact O-N 3.36Å
654P87.2Confident77.6Confident33 Ų3341.8 Ų41.821%0.21422%0.223CC..G310 helixtrans-62.3-24.2-169.7-25.336.7000115.1I656 F657 K662 L924P654-I656 PolarHBondContact O-N 2.96Å; P654-F657 PolarHBondContact O-N 2.96Å; P654-K662 WeakPolarHBondContact O-CE 3.46Å; P654-K662 PolarHBondContact O-NZ 3.45Å; P654-K662 VanDerWaalsContact O-NZ 3.09Å; P654-L924 HydrophobicContact CB-CB 4Å; P654-L924 HydrophobicContact CB-CD2 4.23Å; P654-L924 WeakPolarHBondContact CB-O 3.28Å; P654-L924 HydrophobicContact CG-CB 4.22Å; P654-L924 HydrophobicContact CG-CD2 3.49Å; P654-L924 VanDerWaalsContact CG-CD2 3.49Å; P654-L924 HydrophobicContact CG-CG 4.42Å
655F89.3Confident79.8Confident8 Ų836.1 Ų36.14%0.03519%0.194CC..G310 helixtrans-69.1-13.4-176.764.6-94000114.1L594 E595 Y598 Y609 F612 Y653L594-F655 HydrophobicContact CB-CE2 3.91Å; L594-F655 HydrophobicContact CB-CZ 4.05Å; E595-F655 HydrophobicContact CB-CE1 3.9Å; E595-F655 HydrophobicContact CB-CZ 3.98Å; E595-F655 HydrophobicContact CG-CE1 4.02Å; Y598-F655 HydrophobicContact CD1-CB 4.35Å; Y598-F655 AromaticContact CD1-CD1 3.83Å; Y598-F655 HydrophobicContact CD1-CD1 3.83Å; Y598-F655 HydrophobicContact CD1-CE1 4.42Å; Y598-F655 HydrophobicContact CD1-CG 4.11Å; Y598-F655 HydrophobicContact CD2-CB 3.87Å; Y598-F655 HydrophobicContact CD2-CD2 4.46Å; Y598-F655 HydrophobicContact CD2-CG 4.06Å; Y598-F655 HydrophobicContact CE1-CB 4.32Å; Y598-F655 HydrophobicContact CE1-CD1 4.28Å; Y598-F655 HydrophobicContact CE2-CB 3.88Å; Y598-F655 HydrophobicContact CG-CB 4.12Å; Y598-F655 HydrophobicContact CG-CD1 4Å; Y598-F655 HydrophobicContact CG-CD2 4.29Å; Y598-F655 AromaticContact CG-CG 3.86Å; Y598-F655 HydrophobicContact CG-CG 3.86Å; Y609-F655 HydrophobicContact CE2-CB 4.26Å; F612-F655 HydrophobicContact CB-CD2 4.1Å; F612-F655 HydrophobicContact CD1-CD2 4.03Å; F612-F655 HydrophobicContact CD1-CE2 4.28Å; F612-F655 HydrophobicContact CG-CD2 4.39Å; Y653-F655 AromaticContact CD1-CE1 3.95Å; Y653-F655 HydrophobicContact CD1-CE1 3.95Å; Y653-F655 HydrophobicContact CD1-CZ 4.2Å; Y653-F655 HydrophobicContact CG-CE1 4.39Å; Y653-F655 PolarHBondContact O-N 3.31Å
656I90.6Very high82Confident1 Ų128.3 Ų28.31%0.00516%0.157CC..G310 helixtrans-84.9-17.6177.474.5-170000112.7L591 I614 I617 L650 Y653 P654L591-I656 HydrophobicContact CD2-CD1 3.94Å; L591-I656 HydrophobicContact CD2-CG2 4.39Å; I614-I656 HydrophobicContact CD1-CB 4.28Å; I614-I656 HydrophobicContact CD1-CG2 4.46Å; I614-I656 HydrophobicContact CG1-CB 4.43Å; I614-I656 PolarHBondContact N-O 3.22Å; I617-I656 HydrophobicContact CD1-CB 4.23Å; I617-I656 HydrophobicContact CD1-CD1 3.7Å; I617-I656 HydrophobicContact CD1-CG1 3.76Å; L650-I656 HydrophobicContact CB-CD1 4.27Å; L650-I656 HydrophobicContact CD2-CD1 4.27Å; Y653-I656 VanDerWaalsContact O-CG1 3.31Å; Y653-I656 WeakPolarHBondContact O-CG1 3.46Å; Y653-I656 PolarHBondContact O-N 3.36Å; P654-I656 PolarHBondContact O-N 2.96Å
657F89.8Confident83.8Confident5 Ų524 Ų242%0.02213%0.132CC..SBendtrans-90.7138.5-177.4-65.4-77.7000110.6Y613 I617 L650 P654 A661 K662 M665Y613-F657 WeakPolarHBondContact CD1-O 3.47Å; Y613-F657 VanDerWaalsContact CE1-O 3.28Å; Y613-F657 WeakPolarHBondContact CE1-O 3.42Å; I617-F657 HydrophobicContact CG2-CD1 4.26Å; I617-F657 HydrophobicContact CG2-CE1 3.66Å; L650-F657 HydrophobicContact CB-CE2 4.16Å; L650-F657 HydrophobicContact CB-CZ 3.58Å; L650-F657 WeakPolarHBondContact O-CE2 3.44Å; P654-F657 PolarHBondContact O-N 2.96Å; F657-A661 HydrophobicContact CB-CB 4.05Å; F657-A661 HydrophobicContact CD1-CB 3.77Å; F657-A661 HydrophobicContact CG-CB 4.34Å; F657-K662 HydrophobicContact CB-CG 3.87Å; F657-K662 VanDerWaalsContact O-CE 3.29Å; F657-K662 WeakPolarHBondContact O-CE 3.43Å; F657-M665 HydrophobicContact CB-CE 4.44Å; F657-M665 HydrophobicContact CD1-CE 3.55Å; F657-M665 HydrophobicContact CD2-CE 3.65Å; F657-M665 HydrophobicContact CE1-CE 3.45Å; F657-M665 VanDerWaalsContact CE1-CE 3.45Å; F657-M665 HydrophobicContact CE2-CE 3.57Å; F657-M665 HydrophobicContact CG-CE 3.62Å; F657-M665 HydrophobicContact CZ-CE 3.44Å; F657-M665 VanDerWaalsContact CZ-CE 3.44Å
658D86Confident85.1Confident22 Ų2221.5 Ų21.512%0.11812%0.118CC..  trans-75.1174168.461.922.1000111.4Y613 Q660 A661 K662Y613-D658 HydrophobicContact CD2-CB 4.17Å; Y613-D658 HydrophobicContact CG-CB 4.27Å; D658-Q660 PolarHBondContact O-N 3.18Å; D658-Q660 PolarHBondContact OD1-N 2.99Å; D658-A661 PolarHBondContact O-N 3.09Å; D658-A661 VanDerWaalsContact OD1-CB 3.25Å; D658-A661 WeakPolarHBondContact OD1-CB 3.28Å; D658-A661 PolarHBondContact OD1-N 3.24Å; D658-K662 WeakPolarHBondContact O-CG 3.49Å; D658-K662 PolarHBondContact O-N 3.36Å
659A83.7Confident86Confident19 Ų1920.2 Ų20.216%0.15711%0.11CC..Hα-helixtrans-64.8-29.1-178.500000112.8T663 E929 I992A659-T663 WeakPolarHBondContact O-CB 3.39Å; A659-T663 PolarHBondContact O-N 3.44Å; A659-T663 PolarHBondContact O-OG1 3.26Å; A659-E929 HydrophobicContact CB-CB 4.06Å; A659-E929 HydrophobicContact CB-CG 4.04Å; A659-I992 HydrophobicContact CB-CD1 3.46Å; A659-I992 VanDerWaalsContact CB-CD1 3.46Å; A659-I992 HydrophobicContact CB-CG1 4.33Å
660Q83.6Confident86.3Confident80 Ų8019.8 Ų19.837%0.37411%0.107SC..Hα-helixtrans-68.9-47178.3-68.3-176.5-6.100111.6D658 K662 T663 K664 I992 Y993D658-Q660 PolarHBondContact O-N 3.18Å; D658-Q660 PolarHBondContact OD1-N 2.99Å; Q660-K662 VanDerWaalsContact C-N 3.35Å; Q660-K662 PolarHBondContact O-N 2.8Å; Q660-T663 PolarHBondContact O-N 3.48Å; Q660-K664 PolarHBondContact O-N 2.99Å; Q660-I992 HydrophobicContact CG-CG1 4.37Å; Q660-I992 VanDerWaalsContact CG-O 3.32Å; Q660-I992 WeakPolarHBondContact CG-O 3.27Å; Q660-I992 PolarHBondContact NE2-O 2.76Å; Q660-Y993 HydrophobicContact CB-CD1 4.42Å; Q660-Y993 HydrophobicContact CB-CE1 4.41Å; Q660-Y993 HydrophobicContact CG-CD1 4.48Å
661A86.1Confident86.4Confident2 Ų224.3 Ų24.32%0.01713%0.128CC..Hα-helixtrans-60.9-44.4176.800000111.5I623 F657 D658 T663 K664 M665I623-A661 HydrophobicContact CD1-CB 3.58Å; F657-A661 HydrophobicContact CB-CB 4.05Å; F657-A661 HydrophobicContact CD1-CB 3.77Å; F657-A661 HydrophobicContact CG-CB 4.34Å; D658-A661 PolarHBondContact O-N 3.09Å; D658-A661 VanDerWaalsContact OD1-CB 3.25Å; D658-A661 WeakPolarHBondContact OD1-CB 3.28Å; D658-A661 PolarHBondContact OD1-N 3.24Å; A661-T663 PolarHBondContact O-N 3.16Å; A661-K664 WeakPolarHBondContact O-CB 3.31Å; A661-K664 PolarHBondContact O-N 3.38Å; A661-M665 WeakPolarHBondContact O-CG 3.42Å; A661-M665 PolarHBondContact O-N 3.32Å
662K88.2Confident86.3Confident1 Ų126.3 Ų26.30%0.00414%0.138CC..Hα-helixtrans-65.4-38.1177-66.5179.4-174.5-176.10112.5Y609 P654 F657 D658 Q660 K664 M665 L666 L924 F925 E929Y609-K662 PolarHBondContact OH-NZ 3.41Å; P654-K662 WeakPolarHBondContact O-CE 3.46Å; P654-K662 PolarHBondContact O-NZ 3.45Å; P654-K662 VanDerWaalsContact O-NZ 3.09Å; F657-K662 HydrophobicContact CB-CG 3.87Å; F657-K662 VanDerWaalsContact O-CE 3.29Å; F657-K662 WeakPolarHBondContact O-CE 3.43Å; D658-K662 WeakPolarHBondContact O-CG 3.49Å; D658-K662 PolarHBondContact O-N 3.36Å; Q660-K662 VanDerWaalsContact C-N 3.35Å; Q660-K662 PolarHBondContact O-N 2.8Å; K662-K664 VanDerWaalsContact C-N 3.27Å; K662-K664 PolarHBondContact O-N 3.38Å; K662-M665 WeakPolarHBondContact O-CB 3.36Å; K662-M665 PolarHBondContact O-N 2.83Å; K662-M665 VanDerWaalsContact O-N 3.09Å; K662-L666 PolarHBondContact O-N 3.25Å; K662-L924 VanDerWaalsContact CE-O 3.32Å; K662-L924 WeakPolarHBondContact CE-O 3.29Å; K662-L924 PolarHBondContact NZ-O 2.81Å; K662-F925 HydrophobicContact CB-CD1 4.01Å; K662-F925 HydrophobicContact CB-CE1 3.5Å; K662-F925 VanDerWaalsContact CB-CE1 3.5Å; K662-F925 HydrophobicContact CB-CE2 4.05Å; K662-F925 HydrophobicContact CB-CZ 3.54Å; K662-F925 HydrophobicContact CD-CD1 4.27Å; K662-F925 HydrophobicContact CD-CG 4.42Å; K662-F925 WeakPolarHBondContact O-CZ 3.22Å; K662-E929 VanDerWaalsContact CD-OE2 3.23Å; K662-E929 WeakPolarHBondContact CD-OE2 3.44Å; K662-E929 IonicContact NZ-OE1 2.7Å; K662-E929 PolarHBondContact NZ-OE1 3.49Å; K662-E929 IonicContact NZ-OE2 2.8Å; K662-E929 PolarHBondContact NZ-OE2 3Å
663T85.1Confident86.2Confident9 Ų925.7 Ų25.76%0.05513%0.129CC..Hα-helixtrans-59.6-41.8173.4-57.30000110.7A659 Q660 A661 M665 L666 Q667 M933 I992 Y993A659-T663 WeakPolarHBondContact O-CB 3.39Å; A659-T663 PolarHBondContact O-N 3.44Å; A659-T663 PolarHBondContact O-OG1 3.26Å; Q660-T663 PolarHBondContact O-N 3.48Å; A661-T663 PolarHBondContact O-N 3.16Å; T663-M665 VanDerWaalsContact C-N 3.32Å; T663-M665 PolarHBondContact O-N 2.98Å; T663-L666 PolarHBondContact O-N 2.91Å; T663-Q667 WeakPolarHBondContact O-CG 3.46Å; T663-Q667 PolarHBondContact O-N 3.46Å; T663-M933 HydrophobicContact CG2-CG 4.04Å; T663-M933 HydrophobicContact CG2-SD 4.2Å; T663-I992 HydrophobicContact CG2-CG2 3.9Å; T663-Y993 HydrophobicContact CG2-CE2 4.21Å
664K84.9Confident85.9Confident68 Ų6826.1 Ų26.130%0.29613%0.132SC..Hα-helixtrans-62-37.7174.4-164.7178-175.3-169.20112.4I623 Q624 Q660 A661 K662 T668 Y993I623-K664 HydrophobicContact CB-CD 4.45Å; I623-K664 HydrophobicContact CD1-CD 4.49Å; Q624-K664 HydrophobicContact CG-CD 4.37Å; Q624-K664 HydrophobicContact CG-CG 4.35Å; Q660-K664 PolarHBondContact O-N 2.99Å; A661-K664 WeakPolarHBondContact O-CB 3.31Å; A661-K664 PolarHBondContact O-N 3.38Å; K662-K664 VanDerWaalsContact C-N 3.27Å; K662-K664 PolarHBondContact O-N 3.38Å; K664-T668 WeakPolarHBondContact O-CB 3.42Å; K664-T668 PolarHBondContact O-N 2.88Å; K664-T668 PolarHBondContact O-OG1 3.07Å; K664-Y993 PolarHBondContact N-OH 3.08Å
665M87.8Confident85.7Confident2 Ų230 Ų301%0.0115%0.147CC..Hα-helixtrans-63.5-43.9173.9-61.9171.1-173.900111.6I623 Y627 F657 A661 K662 T663 T668 D669 V921 L924I623-M665 HydrophobicContact CG2-CE 3.6Å; I623-M665 HydrophobicContact CG2-CG 3.4Å; I623-M665 VanDerWaalsContact CG2-CG 3.4Å; I623-M665 HydrophobicContact CG2-SD 4.4Å; Y627-M665 HydrophobicContact CD2-CB 4.08Å; Y627-M665 HydrophobicContact CD2-CG 4.38Å; Y627-M665 HydrophobicContact CG-CB 4.33Å; F657-M665 HydrophobicContact CB-CE 4.44Å; F657-M665 HydrophobicContact CD1-CE 3.55Å; F657-M665 HydrophobicContact CD2-CE 3.65Å; F657-M665 HydrophobicContact CE1-CE 3.45Å; F657-M665 VanDerWaalsContact CE1-CE 3.45Å; F657-M665 HydrophobicContact CE2-CE 3.57Å; F657-M665 HydrophobicContact CG-CE 3.62Å; F657-M665 HydrophobicContact CZ-CE 3.44Å; F657-M665 VanDerWaalsContact CZ-CE 3.44Å; A661-M665 WeakPolarHBondContact O-CG 3.42Å; A661-M665 PolarHBondContact O-N 3.32Å; K662-M665 WeakPolarHBondContact O-CB 3.36Å; K662-M665 PolarHBondContact O-N 2.83Å; K662-M665 VanDerWaalsContact O-N 3.09Å; T663-M665 VanDerWaalsContact C-N 3.32Å; T663-M665 PolarHBondContact O-N 2.98Å; M665-T668 WeakPolarHBondContact O-CB 3.29Å; M665-T668 PolarHBondContact O-N 3.5Å; M665-D669 PolarHBondContact O-N 2.97Å; M665-V921 HydrophobicContact CB-CG2 4.37Å; M665-L924 HydrophobicContact SD-CD1 4.22Å
666L87.6Confident85.3Confident8 Ų833.9 Ų33.94%0.04217%0.171CC..Hα-helixtrans-64.8-41.7177.8-174.967000112.2K662 T663 T668 D669 A670 I799 V921 L922 F925 M933K662-L666 PolarHBondContact O-N 3.25Å; T663-L666 PolarHBondContact O-N 2.91Å; L666-T668 VanDerWaalsContact C-N 3.32Å; L666-T668 PolarHBondContact O-N 3.29Å; L666-D669 PolarHBondContact O-N 2.97Å; L666-A670 WeakPolarHBondContact O-CB 3.21Å; L666-A670 PolarHBondContact O-N 3.21Å; L666-I799 HydrophobicContact CD2-CG2 3.46Å; L666-I799 VanDerWaalsContact CD2-CG2 3.46Å; L666-V921 HydrophobicContact CB-CG2 4.28Å; L666-V921 HydrophobicContact CD1-CB 4.38Å; L666-V921 HydrophobicContact CD1-CG1 3.44Å; L666-V921 VanDerWaalsContact CD1-CG1 3.44Å; L666-V921 HydrophobicContact CD1-CG2 4.06Å; L666-L922 HydrophobicContact CD1-CD2 4.32Å; L666-F925 HydrophobicContact CB-CE2 4.14Å; L666-F925 HydrophobicContact CB-CZ 3.96Å; L666-F925 HydrophobicContact CD2-CZ 4.32Å; L666-M933 HydrophobicContact CD2-CE 3.63Å; L666-M933 HydrophobicContact CD2-SD 3.32Å; L666-M933 WeakPolarHBondContact CD2-SD 3.35Å
667Q86.1Confident84.9Confident51 Ų5134.1 Ų34.124%0.23817%0.173CC..Hα-helixtrans-60.3-43.8173.7-72.3178-23.900111.4T663 D669 A670 E671 S802 Y993T663-Q667 WeakPolarHBondContact O-CG 3.46Å; T663-Q667 PolarHBondContact O-N 3.46Å; Q667-D669 VanDerWaalsContact C-N 3.33Å; Q667-D669 PolarHBondContact O-N 2.77Å; Q667-A670 PolarHBondContact O-N 3.04Å; Q667-E671 WeakPolarHBondContact O-CB 3.48Å; Q667-E671 WeakPolarHBondContact O-CG 3.28Å; Q667-E671 PolarHBondContact O-N 2.92Å; Q667-S802 WeakPolarHBondContact CG-OG 3.21Å; Q667-S802 PolarHBondContact NE2-OG 3.45Å; Q667-Y993 PolarHBondContact OE1-OH 3.37Å
668T85.4Confident84.5Confident9 Ų935.3 Ų35.36%0.05518%0.181CC..Hα-helixtrans-62-41176.2-51.70000111.5Q624 Y627 L628 K664 M665 L666 L672Q624-T668 HydrophobicContact CB-CG2 4.08Å; Q624-T668 HydrophobicContact CG-CG2 4.45Å; Q624-T668 WeakPolarHBondContact CG-OG1 3.11Å; Y627-T668 HydrophobicContact CD1-CG2 4.19Å; L628-T668 HydrophobicContact CD2-CG2 4.47Å; L628-T668 HydrophobicContact CG-CG2 4.4Å; K664-T668 WeakPolarHBondContact O-CB 3.42Å; K664-T668 PolarHBondContact O-N 2.88Å; K664-T668 PolarHBondContact O-OG1 3.07Å; M665-T668 WeakPolarHBondContact O-CB 3.29Å; M665-T668 PolarHBondContact O-N 3.5Å; L666-T668 VanDerWaalsContact C-N 3.32Å; L666-T668 PolarHBondContact O-N 3.29Å; T668-L672 VanDerWaalsContact O-CB 3.3Å; T668-L672 WeakPolarHBondContact O-CB 3.36Å; T668-L672 PolarHBondContact O-N 3.14Å
669D86.1Confident84.2Confident7 Ų738.7 Ų38.74%0.03720%0.199CC..Hα-helixtrans-63.9-45.1174.6-169.268.8000111.8Y627 M665 L666 Q667 L672 Q673 V921Y627-D669 HydrophobicContact CE1-CB 3.74Å; Y627-D669 WeakPolarHBondContact OH-CB 3.47Å; Y627-D669 PolarHBondContact OH-OD1 3.41Å; M665-D669 PolarHBondContact O-N 2.97Å; L666-D669 PolarHBondContact O-N 2.97Å; Q667-D669 VanDerWaalsContact C-N 3.33Å; Q667-D669 PolarHBondContact O-N 2.77Å; D669-L672 PolarHBondContact O-N 3.02Å; D669-Q673 WeakPolarHBondContact O-CB 3.48Å; D669-Q673 WeakPolarHBondContact O-CG 3.42Å; D669-Q673 PolarHBondContact O-N 3.03Å; D669-V921 HydrophobicContact CB-CB 4.36Å; D669-V921 HydrophobicContact CB-CG1 4.13Å; D669-V921 HydrophobicContact CB-CG2 4.35Å
670A83.9Confident83.9Confident4 Ų439.5 Ų39.53%0.03321%0.209CC..Hα-helixtrans-60.3-48.3178.100000111.5L666 Q667 L672 Q673 M674 Y800L666-A670 WeakPolarHBondContact O-CB 3.21Å; L666-A670 PolarHBondContact O-N 3.21Å; Q667-A670 PolarHBondContact O-N 3.04Å; A670-L672 PolarHBondContact O-N 3.05Å; A670-Q673 PolarHBondContact O-N 2.93Å; A670-M674 WeakPolarHBondContact O-CB 3.38Å; A670-M674 WeakPolarHBondContact O-CG 3.27Å; A670-M674 PolarHBondContact O-N 3.35Å; A670-Y800 HydrophobicContact CB-CD1 4.18Å; A670-Y800 HydrophobicContact CB-CD2 3.57Å; A670-Y800 HydrophobicContact CB-CE1 4.15Å; A670-Y800 HydrophobicContact CB-CE2 3.56Å; A670-Y800 HydrophobicContact CB-CG 3.91Å
671E84.4Confident83.5Confident102 Ų10235.9 Ų35.948%0.47719%0.193SC..Hα-helixtrans-59.1-45.6175.4-74.2176-17300112Q667 M674 Q675Q667-E671 WeakPolarHBondContact O-CB 3.48Å; Q667-E671 WeakPolarHBondContact O-CG 3.28Å; Q667-E671 PolarHBondContact O-N 2.92Å; E671-M674 PolarHBondContact O-N 3.13Å; E671-Q675 WeakPolarHBondContact O-CG 3.38Å; E671-Q675 PolarHBondContact O-N 2.73Å
672L83.3Confident83.2Confident43 Ų4339 Ų3923%0.22521%0.209CC..Hα-helixtrans-60.3-48.7178.5176.565.8000111.3L628 F631 T668 D669 A670 Q675 V676L628-L672 HydrophobicContact CD2-CD1 4.44Å; L628-L672 HydrophobicContact CD2-CD2 3.91Å; F631-L672 HydrophobicContact CD1-CD2 4.23Å; F631-L672 HydrophobicContact CE1-CD2 4.21Å; T668-L672 VanDerWaalsContact O-CB 3.3Å; T668-L672 WeakPolarHBondContact O-CB 3.36Å; T668-L672 PolarHBondContact O-N 3.14Å; D669-L672 PolarHBondContact O-N 3.02Å; A670-L672 PolarHBondContact O-N 3.05Å; L672-Q675 PolarHBondContact O-N 3.2Å; L672-V676 WeakPolarHBondContact O-CG2 3.47Å; L672-V676 PolarHBondContact O-N 3.3Å
673Q82.4Confident82.7Confident47 Ų4745 Ų4522%0.2224%0.241CC..Hα-helixtrans-67.4-36.6179.9-69.5-74.2-27.400111.8D669 A670 V676 A677 Y800D669-Q673 WeakPolarHBondContact O-CB 3.48Å; D669-Q673 WeakPolarHBondContact O-CG 3.42Å; D669-Q673 PolarHBondContact O-N 3.03Å; A670-Q673 PolarHBondContact O-N 2.93Å; Q673-V676 PolarHBondContact O-N 3.36Å; Q673-A677 WeakPolarHBondContact O-CB 3.38Å; Q673-A677 PolarHBondContact O-N 3.49Å; Q673-Y800 WeakPolarHBondContact CB-OH 3.32Å
674M83.4Confident82.1Confident27 Ų2748.5 Ų48.513%0.13326%0.256CS..Hα-helixtrans-59.4-46.8170.5-75.6180-171.100111.1A670 E671 V676 A677 V678 K728 P730 Y800A670-M674 WeakPolarHBondContact O-CB 3.38Å; A670-M674 WeakPolarHBondContact O-CG 3.27Å; A670-M674 PolarHBondContact O-N 3.35Å; E671-M674 PolarHBondContact O-N 3.13Å; M674-V676 VanDerWaalsContact C-N 3.33Å; M674-V676 PolarHBondContact O-N 3.36Å; M674-A677 PolarHBondContact O-N 2.9Å; M674-V678 VanDerWaalsContact O-CG2 3.29Å; M674-V678 WeakPolarHBondContact O-CG2 3.39Å; M674-V678 PolarHBondContact O-N 3.45Å; M674-K728 VanDerWaalsContact CA-O 3.31Å; M674-K728 WeakPolarHBondContact CA-O 3.29Å; M674-K728 VanDerWaalsContact CG-O 3.23Å; M674-K728 WeakPolarHBondContact CG-O 3.22Å; M674-P730 HydrophobicContact CB-CG 4.27Å; M674-P730 HydrophobicContact CG-CG 4.41Å; M674-P730 HydrophobicContact SD-CB 4.41Å; M674-P730 HydrophobicContact SD-CG 4.18Å; M674-Y800 HydrophobicContact CE-CD1 3.3Å; M674-Y800 HydrophobicContact CE-CE1 3.68Å; M674-Y800 HydrophobicContact CE-CG 4.26Å; M674-Y800 WeakPolarHBondContact CE-O 3.34Å; M674-Y800 HydrophobicContact CG-CD1 4.31Å; M674-Y800 HydrophobicContact CG-CE1 3.69Å
675Q82.5Confident81.6Confident116 Ų11647 Ų4754%0.54225%0.252SS..Hα-helixtrans-62.3-40.2176.9-72.51781200112E671 L672 V678 N679E671-Q675 WeakPolarHBondContact O-CG 3.38Å; E671-Q675 PolarHBondContact O-N 2.73Å; L672-Q675 PolarHBondContact O-N 3.2Å; Q675-V678 PolarHBondContact O-N 2.94Å; Q675-N679 VanDerWaalsContact O-CB 3.28Å; Q675-N679 WeakPolarHBondContact O-CB 3.26Å; Q675-N679 PolarHBondContact O-N 3.38Å; Q675-N679 PolarHBondContact O-ND2 3.01Å
676V81.5Confident81.1Confident88 Ų8850.9 Ų50.953%0.53328%0.275SS..Hα-helixtrans-62.1-44174.8171.10000111L672 Q673 M674 N679 G680L672-V676 WeakPolarHBondContact O-CG2 3.47Å; L672-V676 PolarHBondContact O-N 3.3Å; Q673-V676 PolarHBondContact O-N 3.36Å; M674-V676 VanDerWaalsContact C-N 3.33Å; M674-V676 PolarHBondContact O-N 3.36Å; V676-N679 PolarHBondContact O-N 2.98Å; V676-G680 PolarHBondContact O-N 2.92Å
677A80.6Confident80.3Confident6 Ų656.5 Ų56.55%0.0530%0.3CS..Hα-helixtrans-65.5-41.8177.800000112.6Q673 M674 G680 A681 I725 K728 K729Q673-A677 WeakPolarHBondContact O-CB 3.38Å; Q673-A677 PolarHBondContact O-N 3.49Å; M674-A677 PolarHBondContact O-N 2.9Å; A677-G680 PolarHBondContact O-N 3Å; A677-A681 WeakPolarHBondContact O-CB 3.49Å; A677-A681 PolarHBondContact O-N 3Å; A677-I725 HydrophobicContact CB-CG2 4.34Å; A677-K728 HydrophobicContact CB-CB 4.39Å; A677-K729 HydrophobicContact CB-CG 4.03Å
678V81.2Confident79.4Confident31 Ų3155.3 Ų55.319%0.18829%0.294CS..Hα-helixtrans-63.4-47.8175170.70000110.8M674 Q675 G680 A681 N682 P700 P730M674-V678 VanDerWaalsContact O-CG2 3.29Å; M674-V678 WeakPolarHBondContact O-CG2 3.39Å; M674-V678 PolarHBondContact O-N 3.45Å; Q675-V678 PolarHBondContact O-N 2.94Å; V678-G680 VanDerWaalsContact C-N 3.32Å; V678-G680 PolarHBondContact O-N 3.27Å; V678-A681 PolarHBondContact O-N 3.24Å; V678-N682 WeakPolarHBondContact O-CB 3.35Å; V678-N682 VanDerWaalsContact O-CG 3.25Å; V678-N682 PolarHBondContact O-N 2.77Å; V678-N682 PolarHBondContact O-ND2 3.4Å; V678-P700 HydrophobicContact CG1-CB 4.21Å; V678-P700 WeakPolarHBondContact CG2-O 3.47Å; V678-P730 HydrophobicContact CG2-CG 4.11Å
679N79.6Confident78.6Confident93 Ų9361.3 Ų61.350%0.49733%0.325SS..Hα-helixtrans-63.2-39.1178-74.1-26.6000111.6Q675 V676 N682 L683Q675-N679 VanDerWaalsContact O-CB 3.28Å; Q675-N679 WeakPolarHBondContact O-CB 3.26Å; Q675-N679 PolarHBondContact O-N 3.38Å; Q675-N679 PolarHBondContact O-ND2 3.01Å; V676-N679 PolarHBondContact O-N 2.98Å; N679-N682 PolarHBondContact O-N 3.33Å; N679-L683 WeakPolarHBondContact O-CB 3.03Å; N679-L683 VanDerWaalsContact O-CG 3.31Å; N679-L683 WeakPolarHBondContact O-CG 3.41Å; N679-L683 PolarHBondContact O-N 3.09Å
680G77.9Confident77.9Confident35 Ų3567.5 Ų67.536%0.36136%0.358SS..Hα-helixtrans-61.1-4617300000112.6V676 A677 V678 L683 Q684V676-G680 PolarHBondContact O-N 2.92Å; A677-G680 PolarHBondContact O-N 3Å; V678-G680 VanDerWaalsContact C-N 3.32Å; V678-G680 PolarHBondContact O-N 3.27Å; G680-L683 PolarHBondContact O-N 3.27Å; G680-Q684 WeakPolarHBondContact O-CB 3.36Å; G680-Q684 PolarHBondContact O-N 3.33Å
681A75.6Confident77.3Confident5 Ų570.5 Ų70.54%0.04138%0.376CS..Hα-helixtrans-63.6-41.9175.700000112A677 V678 Q684 N685A677-A681 WeakPolarHBondContact O-CB 3.49Å; A677-A681 PolarHBondContact O-N 3Å; V678-A681 PolarHBondContact O-N 3.24Å; A681-Q684 PolarHBondContact O-N 3.36Å; A681-N685 WeakPolarHBondContact O-CB 3.44Å; A681-N685 PolarHBondContact O-N 2.77Å; A681-N685 PolarHBondContact O-ND2 2.92Å; A681-N685 PolarHBondContact O-OD1 3.07Å
682N80.2Confident75.9Confident67 Ų6773.2 Ų73.236%0.35839%0.393SS..Hα-helixtrans-64.6-44.3176.8-72.3-22.2000112V678 N679 Q684 N685 V686V678-N682 WeakPolarHBondContact O-CB 3.35Å; V678-N682 VanDerWaalsContact O-CG 3.25Å; V678-N682 PolarHBondContact O-N 2.77Å; V678-N682 PolarHBondContact O-ND2 3.4Å; N679-N682 PolarHBondContact O-N 3.33Å; N682-Q684 VanDerWaalsContact C-N 3.31Å; N682-Q684 PolarHBondContact O-N 3.43Å; N682-N685 PolarHBondContact O-N 3.23Å; N682-V686 VanDerWaalsContact O-CG2 3.31Å; N682-V686 WeakPolarHBondContact O-CG2 3.31Å; N682-V686 PolarHBondContact O-N 3.3Å
683L77.3Confident74.6Confident126 Ų12676.5 Ų76.566%0.6641%0.407SS*.Hα-helixtrans-61-42174.7-77.3169.7000111.5N679 G680 V686 F687N679-L683 WeakPolarHBondContact O-CB 3.03Å; N679-L683 VanDerWaalsContact O-CG 3.31Å; N679-L683 WeakPolarHBondContact O-CG 3.41Å; N679-L683 PolarHBondContact O-N 3.09Å; G680-L683 PolarHBondContact O-N 3.27Å; L683-V686 PolarHBondContact O-N 3.04Å; L683-F687 WeakPolarHBondContact O-CB 3.28Å; L683-F687 PolarHBondContact O-N 2.79Å
684Q71.8Confident73.2Confident83 Ų8378.7 Ų78.739%0.38843%0.425SS..Hα-helixtrans-66.5-39.6176.3-167.6164.312.900111.4G680 A681 N682 F687 M688G680-Q684 WeakPolarHBondContact O-CB 3.36Å; G680-Q684 PolarHBondContact O-N 3.33Å; A681-Q684 PolarHBondContact O-N 3.36Å; N682-Q684 VanDerWaalsContact C-N 3.31Å; N682-Q684 PolarHBondContact O-N 3.43Å; Q684-F687 WeakPolarHBondContact O-CB 3.16Å; Q684-F687 PolarHBondContact O-N 3.27Å; Q684-M688 HydrophobicContact CG-CG 4.47Å; Q684-M688 WeakPolarHBondContact O-CB 3.37Å; Q684-M688 VanDerWaalsContact O-CG 3.25Å; Q684-M688 WeakPolarHBondContact O-CG 3.42Å; Q684-M688 PolarHBondContact O-N 3.5Å
685N76.1Confident71.8Confident37 Ų3785.8 Ų85.820%0.19846%0.463CS..Hα-helixtrans-63.8-41.8174.6-71.5-18.5000112.1A681 N682 F687 M688 L689 A697 R698A681-N685 WeakPolarHBondContact O-CB 3.44Å; A681-N685 PolarHBondContact O-N 2.77Å; A681-N685 PolarHBondContact O-ND2 2.92Å; A681-N685 PolarHBondContact O-OD1 3.07Å; N682-N685 PolarHBondContact O-N 3.23Å; N685-F687 VanDerWaalsContact C-N 3.33Å; N685-M688 PolarHBondContact O-N 3.27Å; N685-L689 VanDerWaalsContact O-CB 3.32Å; N685-L689 WeakPolarHBondContact O-CB 3.45Å; N685-L689 PolarHBondContact O-N 3.42Å; N685-A697 WeakPolarHBondContact OD1-CA 3.33Å; N685-R698 PolarHBondContact ND2-O 3.07Å; N685-R698 PolarHBondContact OD1-N 2.72Å; N685-R698 PolarHBondContact OD1-O 3.14Å
686V75.8Confident70.6Confident84 Ų8485.3 Ų85.351%0.50946%0.464SS..Hα-helixtrans-61.8-43.2173.1171.10000110.3N682 L683 L689 L690N682-V686 VanDerWaalsContact O-CG2 3.31Å; N682-V686 WeakPolarHBondContact O-CG2 3.31Å; N682-V686 PolarHBondContact O-N 3.3Å; L683-V686 PolarHBondContact O-N 3.04Å; V686-L689 WeakPolarHBondContact O-CB 3.45Å; V686-L689 PolarHBondContact O-N 3.39Å; V686-L690 HydrophobicContact CG1-CD1 4.13Å; V686-L690 VanDerWaalsContact O-CG 3.26Å; V686-L690 WeakPolarHBondContact O-CG 3.32Å; V686-L690 PolarHBondContact O-N 3Å; V686-L690 VanDerWaalsContact O-N 3.12Å
687F70.9Confident69.5Low125 Ų12584.4 Ų84.455%0.54847%0.465SS..Hα-helixtrans-61.8-47.5175.3-176.5-95.6000112.1L683 Q684 N685 L689 L690 T691L683-F687 WeakPolarHBondContact O-CB 3.28Å; L683-F687 PolarHBondContact O-N 2.79Å; Q684-F687 WeakPolarHBondContact O-CB 3.16Å; Q684-F687 PolarHBondContact O-N 3.27Å; N685-F687 VanDerWaalsContact C-N 3.33Å; F687-L689 VanDerWaalsContact C-N 3.31Å; F687-L689 PolarHBondContact O-N 2.98Å; F687-L690 CarbonylContact O-C 3.55Å; F687-L690 WeakPolarHBondContact O-CA 3.3Å; F687-L690 WeakPolarHBondContact O-CB 3.2Å; F687-L690 PolarHBondContact O-N 3.2Å; F687-T691 HydrophobicContact CD1-CG2 4.16Å; F687-T691 HydrophobicContact CE1-CG2 3.73Å; F687-T691 HydrophobicContact CE2-CG2 4.13Å; F687-T691 HydrophobicContact CZ-CG2 3.72Å; F687-T691 WeakPolarHBondContact O-CG2 3.42Å; F687-T691 PolarHBondContact O-N 3.21Å; F687-T691 PolarHBondContact O-OG1 2.95Å
688M67.6Low68.9Low26 Ų2688.8 Ų88.813%0.12848%0.481CS..Hα-helixtrans-64.6-33.8178.7-67.8-58.4-75.500112.8Q684 N685 L690 T691 L692 E693 L696Q684-M688 HydrophobicContact CG-CG 4.47Å; Q684-M688 WeakPolarHBondContact O-CB 3.37Å; Q684-M688 VanDerWaalsContact O-CG 3.25Å; Q684-M688 WeakPolarHBondContact O-CG 3.42Å; Q684-M688 PolarHBondContact O-N 3.5Å; N685-M688 PolarHBondContact O-N 3.27Å; M688-L690 VanDerWaalsContact C-N 3.28Å; M688-L690 PolarHBondContact O-N 3.43Å; M688-T691 PolarHBondContact O-N 3.45Å; M688-L692 PolarHBondContact O-N 3.17Å; M688-E693 HydrophobicContact CE-CB 3.7Å; M688-E693 PolarHBondContact O-N 3.06Å; M688-L696 HydrophobicContact CE-CB 3.63Å; M688-L696 HydrophobicContact CE-CD1 3.74Å; M688-L696 HydrophobicContact CE-CG 4.31Å
689L69.1Low68.4Low135 Ų13590 Ų9071%0.70749%0.49SS*.Hα-helixtrans-63-36.3171.3-165.884.4000111.3N685 V686 F687N685-L689 VanDerWaalsContact O-CB 3.32Å; N685-L689 WeakPolarHBondContact O-CB 3.45Å; N685-L689 PolarHBondContact O-N 3.42Å; V686-L689 WeakPolarHBondContact O-CB 3.45Å; V686-L689 PolarHBondContact O-N 3.39Å; F687-L689 VanDerWaalsContact C-N 3.31Å; F687-L689 PolarHBondContact O-N 2.98Å
690L71.2Confident68.4Low137 Ų13787.4 Ų87.472%0.71748%0.479SS*.Hα-helixtrans-79.2-24.2177.9-66.8168.5000113.2V686 F687 M688V686-L690 HydrophobicContact CG1-CD1 4.13Å; V686-L690 VanDerWaalsContact O-CG 3.26Å; V686-L690 WeakPolarHBondContact O-CG 3.32Å; V686-L690 PolarHBondContact O-N 3Å; V686-L690 VanDerWaalsContact O-N 3.12Å; F687-L690 CarbonylContact O-C 3.55Å; F687-L690 WeakPolarHBondContact O-CA 3.3Å; F687-L690 WeakPolarHBondContact O-CB 3.2Å; F687-L690 PolarHBondContact O-N 3.2Å; M688-L690 VanDerWaalsContact C-N 3.28Å; M688-L690 PolarHBondContact O-N 3.43Å
691T71.3Confident68.5Low67 Ų6790.7 Ų90.741%0.41148%0.483SS..THydrogen-bonded Turntrans-102.313.4-17761.20000115.4F687 M688F687-T691 HydrophobicContact CD1-CG2 4.16Å; F687-T691 HydrophobicContact CE1-CG2 3.73Å; F687-T691 HydrophobicContact CE2-CG2 4.13Å; F687-T691 HydrophobicContact CZ-CG2 3.72Å; F687-T691 WeakPolarHBondContact O-CG2 3.42Å; F687-T691 PolarHBondContact O-N 3.21Å; F687-T691 PolarHBondContact O-OG1 2.95Å; M688-T691 PolarHBondContact O-N 3.45Å
692L54.7Low68.8Low159 Ų15990.5 Ų90.583%0.83248%0.482SS*.THydrogen-bonded Turntrans66.430.9171.9-69.5163.4000117M688M688-L692 PolarHBondContact O-N 3.17Å
693E56.5Low69Low112 Ų11289 Ų8952%0.52348%0.475SS..  trans-124.976.5166.7-76.5-172.8161.800111.9M688 L695 L696M688-E693 HydrophobicContact CE-CB 3.7Å; M688-E693 PolarHBondContact O-N 3.06Å; E693-L695 PolarHBondContact O-N 3.11Å; E693-L696 WeakPolarHBondContact OE2-CD1 3.38Å
694P53.1Low69.4Low93 Ų9383 Ų8360%0.60444%0.443SS*.G310 helixtrans-70.8-14.8-175.98.6-3.7000114.6L696P694-L696 VanDerWaalsContact C-N 3.28Å; P694-L696 PolarHBondContact O-N 3.11Å
695L53Low70Confident176 Ų17682.7 Ų82.792%0.92144%0.442SS*.G310 helixtrans-79-8.2-176.9-68.5166.2000113.8E693E693-L695 PolarHBondContact O-N 3.11Å
696L57.3Low70.5Confident107 Ų10781 Ų8156%0.5643%0.432SS*.G310 helixtrans-105.417.5-180-69.7173.9000113M688 E693 P694 R698M688-L696 HydrophobicContact CE-CB 3.63Å; M688-L696 HydrophobicContact CE-CD1 3.74Å; M688-L696 HydrophobicContact CE-CG 4.31Å; E693-L696 WeakPolarHBondContact OE2-CD1 3.38Å; P694-L696 VanDerWaalsContact C-N 3.28Å; P694-L696 PolarHBondContact O-N 3.11Å; L696-R698 PolarHBondContact O-N 2.86Å
697A59.3Low71Confident69 Ų6982.6 Ų82.657%0.5743%0.429SS*.PPolyproline II helixtrans-57.7125.517600000110.6N685N685-A697 WeakPolarHBondContact OD1-CA 3.33Å
698R66.6Low71.4Confident98 Ų9881.3 Ų81.337%0.3742%0.421SS..PPolyproline II helixtrans-85.8132.8178.6-74.6-178.4157.7-172.4-15.3110N685 L696N685-R698 PolarHBondContact ND2-O 3.07Å; N685-R698 PolarHBondContact OD1-N 2.72Å; N685-R698 PolarHBondContact OD1-O 3.14Å; L696-R698 PolarHBondContact O-N 2.86Å
699S71.8Confident72.1Confident55 Ų5588 Ų8839%0.38546%0.457SS..PPolyproline II helixtrans-60.5139.5172173.80000111F701 K729S699-F701 WeakPolarHBondContact CB-O 3.33Å; S699-F701 PolarHBondContact O-N 3.29Å; S699-F701 PolarHBondContact OG-N 3.43Å; S699-F701 PolarHBondContact OG-O 2.97Å; S699-K729 WeakPolarHBondContact O-CE 3.42Å; S699-K729 PolarHBondContact O-NZ 2.88Å
700P78.4Confident72.8Confident40 Ų4085 Ų8526%0.2644%0.442SS..SBendtrans-73.6-14.2170.429.6-31.4000112.5V678V678-P700 HydrophobicContact CG1-CB 4.21Å; V678-P700 WeakPolarHBondContact CG2-O 3.47Å
701F80.1Confident73.4Confident103 Ų10378.7 Ų78.745%0.45241%0.409SS..SBendtrans-107.5150.9176.1-61.2-84.9000111.3S699 V703 P730S699-F701 WeakPolarHBondContact CB-O 3.33Å; S699-F701 PolarHBondContact O-N 3.29Å; S699-F701 PolarHBondContact OG-N 3.43Å; S699-F701 PolarHBondContact OG-O 2.97Å; F701-V703 HydrophobicContact CB-CG2 4.02Å; F701-V703 PolarHBondContact O-N 3.25Å; F701-P730 WeakPolarHBondContact CA-O 2.95Å; F701-P730 HydrophobicContact CD1-CB 3.91Å; F701-P730 HydrophobicContact CE1-CB 4.17Å
702L83.8Confident73.9Confident2 Ų276 Ų761%0.0139%0.393CS..EExtended strand (participates in β ladder)trans-82.8104.4163.3177.866.9000107.7L704 H722 L727 K729 P730 L731 K732 L797L702-L704 HydrophobicContact CD1-CD2 4.4Å; L702-L704 HydrophobicContact CG-CD2 4.37Å; L702-H722 HydrophobicContact CD1-CB 4.2Å; L702-H722 WeakPolarHBondContact CD1-CD2 3.47Å; L702-L727 HydrophobicContact CD2-CD2 4.29Å; L702-K729 HydrophobicContact CB-CB 4.15Å; L702-P730 PolarHBondContact N-O 3.06Å; L702-L731 HydrophobicContact CB-CD1 4.49Å; L702-L731 HydrophobicContact CD2-CD1 3.9Å; L702-L731 HydrophobicContact CG-CD1 4.07Å; L702-K732 PolarHBondContact O-N 3.36Å; L702-L797 HydrophobicContact CD2-CD2 4.09Å
703V84.3Confident75.2Confident36 Ų3669.8 Ų69.822%0.21837%0.367CS..EExtended strand (participates in β ladder)trans-102.4120.2-176.3-174.50000109.1F701 K732 I734F701-V703 HydrophobicContact CB-CG2 4.02Å; F701-V703 PolarHBondContact O-N 3.25Å; V703-K732 WeakPolarHBondContact CA-O 3.34Å; V703-K732 HydrophobicContact CG2-CB 4.47Å; V703-I734 HydrophobicContact CG1-CD1 3.7Å; V703-I734 HydrophobicContact CG1-CG1 4.31Å
704L85.4Confident76.5Confident0 Ų064.5 Ų64.50%034%0.342CS..EExtended strand (participates in β ladder)trans-108.7119.1176.8-57.3-177.3000110L702 E718 L719 L731 K732 I734 F750L702-L704 HydrophobicContact CD1-CD2 4.4Å; L702-L704 HydrophobicContact CG-CD2 4.37Å; L704-E718 HydrophobicContact CD2-CB 3.78Å; L704-L719 HydrophobicContact CD1-CD2 4.02Å; L704-L719 HydrophobicContact CD2-CD2 4.1Å; L704-L731 HydrophobicContact CD1-CD1 3.6Å; L704-L731 HydrophobicContact CG-CD1 3.76Å; L704-K732 PolarHBondContact N-O 2.97Å; L704-I734 PolarHBondContact O-N 2.99Å; L704-F750 HydrophobicContact CD1-CE1 4.11Å; L704-F750 HydrophobicContact CD1-CZ 4.03Å
705H84.4Confident78Confident76 Ų7660.1 Ų60.135%0.35231%0.314SS..EExtended strand (participates in β ladder)trans-96.6115.5174-75.9-86.6000110D736H705-D736 IonicContact CG-OD1 3.86Å; H705-D736 IonicContact ND1-OD1 2.69Å; H705-D736 PolarHBondContact ND1-OD1 3.21Å
706V86.5Confident79.2Confident0 Ų053 Ų530%028%0.277CS..EExtended strand (participates in β ladder)trans-135.4145.9-174-66.50000112L711 D714 V733 I734 F735 D736 F750V706-L711 HydrophobicContact CB-CD1 4.07Å; V706-L711 HydrophobicContact CG2-CD1 4.09Å; V706-D714 HydrophobicContact CB-CB 4.42Å; V706-D714 HydrophobicContact CG1-CB 4.17Å; V706-V733 HydrophobicContact CG2-CG1 3.86Å; V706-I734 PolarHBondContact N-O 2.64Å; V706-F735 HydrophobicContact CG2-CD1 3.77Å; V706-F735 HydrophobicContact CG2-CE1 3.7Å; V706-F735 HydrophobicContact CG2-CG 4.45Å; V706-F735 HydrophobicContact CG2-CZ 4.32Å; V706-F735 VanDerWaalsContact O-CA 3.29Å; V706-F735 WeakPolarHBondContact O-CA 3.32Å; V706-D736 PolarHBondContact O-N 3.44Å; V706-F750 HydrophobicContact CG1-CE2 4.06Å; V706-F750 HydrophobicContact CG2-CD2 4.19Å; V706-F750 HydrophobicContact CG2-CE2 4.37Å
707R84.8Confident80.4Confident119 Ų11953 Ų5345%0.44927%0.269SS..  trans-106.3137.2173.2-66.5168.7-65.1177.6-1.8109.8N709 N710 L711 D714 D736R707-N709 VanDerWaalsContact C-N 3.25Å; R707-N709 PolarHBondContact O-N 3.18Å; R707-N710 CarbonylContact O-C 3.55Å; R707-N710 VanDerWaalsContact O-C 3.29Å; R707-N710 PolarHBondContact O-N 3.16Å; R707-L711 WeakPolarHBondContact O-CA 3.46Å; R707-L711 PolarHBondContact O-N 2.86Å; R707-L711 VanDerWaalsContact O-N 3.08Å; R707-D714 WeakPolarHBondContact CB-OD2 3.43Å; R707-D714 IonicContact CZ-OD1 3.53Å; R707-D714 IonicContact CZ-OD2 2.93Å; R707-D714 PolarHBondContact N-OD2 2.96Å; R707-D714 IonicContact NE-OD1 2.7Å; R707-D714 IonicContact NE-OD2 3.52Å; R707-D714 PolarHBondContact NE-OD2 3.09Å; R707-D714 IonicContact NH2-OD1 3.71Å; R707-D714 PolarHBondContact NH2-OD1 3.33Å; R707-D714 IonicContact NH2-OD2 3.81Å; R707-D714 PolarHBondContact NH2-OD2 3.02Å; R707-D736 HydrophobicContact CG-CB 3.96Å
708R81.3Confident81.5Confident97 Ų9751.2 Ų51.237%0.36625%0.249SC..G310 helixtrans-54.2-41.2178.5-68.1-172.7-179.3-87.8-4.9112.9N710 F735 E738 E749R708-N710 PolarHBondContact O-N 3.32Å; R708-F735 HydrophobicContact CG-CD1 3.78Å; R708-F735 HydrophobicContact CG-CE1 3.97Å; R708-E738 IonicContact CZ-OE1 3.97Å; R708-E738 IonicContact CZ-OE2 3.99Å; R708-E738 IonicContact NE-OE1 2.79Å; R708-E738 PolarHBondContact NE-OE1 2.95Å; R708-E738 IonicContact NE-OE2 3.66Å; R708-E738 IonicContact NH2-OE1 3.44Å; R708-E738 IonicContact NH2-OE2 3.26Å; R708-E738 PolarHBondContact NH2-OE2 3.02Å; R708-E749 IonicContact CZ-OE1 3.76Å; R708-E749 IonicContact NH1-OE1 3.65Å; R708-E749 PolarHBondContact NH1-OE1 3.27Å; R708-E749 IonicContact NH2-OE1 3Å; R708-E749 PolarHBondContact NH2-OE1 3.03Å; R708-E749 VanDerWaalsContact NH2-OE1 3.13Å; R708-E749 IonicContact NH2-OE2 2.72Å
709N81.9Confident82.3Confident168 Ų16846.8 Ų46.890%0.89823%0.233SC*.G310 helixtrans-73-11-177.6-60.4-10.6000114.2R707R707-N709 VanDerWaalsContact C-N 3.25Å; R707-N709 PolarHBondContact O-N 3.18Å
710N84.2Confident82.6Confident71 Ų7148 Ų4838%0.3824%0.241SC..G310 helixtrans-144.744.9-179.2-171.346.4000111.1R707 R708 V712 G713 D714R707-N710 CarbonylContact O-C 3.55Å; R707-N710 VanDerWaalsContact O-C 3.29Å; R707-N710 PolarHBondContact O-N 3.16Å; R708-N710 PolarHBondContact O-N 3.32Å; N710-V712 PolarHBondContact O-N 3.48Å; N710-G713 PolarHBondContact O-N 2.92Å; N710-D714 PolarHBondContact ND2-OD1 3.28Å; N710-D714 WeakPolarHBondContact O-CB 3.42Å; N710-D714 PolarHBondContact O-N 2.9Å
711L83.5Confident82.7Confident5 Ų551.6 Ų51.63%0.02626%0.257CS..Hα-helixtrans-57.9-50.5-171.3-177.762.1000112V706 R707 A715 F735 F750 L753 L754V706-L711 HydrophobicContact CB-CD1 4.07Å; V706-L711 HydrophobicContact CG2-CD1 4.09Å; R707-L711 WeakPolarHBondContact O-CA 3.46Å; R707-L711 PolarHBondContact O-N 2.86Å; R707-L711 VanDerWaalsContact O-N 3.08Å; L711-A715 WeakPolarHBondContact O-CB 3.47Å; L711-A715 PolarHBondContact O-N 2.76Å; L711-F735 HydrophobicContact CD1-CE1 4.07Å; L711-F750 HydrophobicContact CD1-CD2 3.79Å; L711-F750 HydrophobicContact CD1-CE2 3.87Å; L711-L753 HydrophobicContact CD2-CB 3.45Å; L711-L753 VanDerWaalsContact CD2-CB 3.45Å; L711-L753 HydrophobicContact CD2-CD1 4.45Å; L711-L754 HydrophobicContact CD2-CB 4.17Å; L711-L754 HydrophobicContact CG-CD1 4.32Å
712V81.3Confident82.6Confident11 Ų1148.9 Ų48.97%0.06725%0.246CC..Hα-helixtrans-61.1-52.5179.8172.60000111N710 D714 A715 L716 L754 E757 L758 W787N710-V712 PolarHBondContact O-N 3.48Å; V712-D714 PolarHBondContact O-N 3.09Å; V712-A715 PolarHBondContact O-N 3.48Å; V712-L716 HydrophobicContact CG1-CD1 3.69Å; V712-L716 HydrophobicContact CG1-CG 4.21Å; V712-L716 WeakPolarHBondContact O-CB 3.23Å; V712-L716 WeakPolarHBondContact O-CG 3.18Å; V712-L716 PolarHBondContact O-N 2.89Å; V712-L754 HydrophobicContact CB-CD1 4.49Å; V712-L754 HydrophobicContact CG2-CD1 3.95Å; V712-E757 HydrophobicContact CG2-CB 4.01Å; V712-E757 VanDerWaalsContact CG2-OE2 3.29Å; V712-E757 WeakPolarHBondContact CG2-OE2 3.31Å; V712-L758 HydrophobicContact CG1-CD2 3.91Å; V712-L758 HydrophobicContact CG2-CD2 4.23Å; V712-L758 HydrophobicContact CG2-CG 4.46Å; V712-W787 HydrophobicContact CG1-CE3 4.45Å; V712-W787 HydrophobicContact CG1-CH2 3.41Å; V712-W787 VanDerWaalsContact CG1-CH2 3.41Å; V712-W787 HydrophobicContact CG1-CZ3 3.37Å
713G81Confident82.2Confident28 Ų2850.7 Ų50.729%0.28926%0.258SS..Hα-helixtrans-62.3-40.8-176.300000113.6N710 R717N710-G713 PolarHBondContact O-N 2.92Å; G713-R717 PolarHBondContact O-N 3.28Å
714D85.3Confident81.8Confident0 Ų053.2 Ų53.20%027%0.271CS..Hα-helixtrans-71.5-42.4177.4-68.7-26.2000111.2V706 R707 N710 V712 L716 R717 E718V706-D714 HydrophobicContact CB-CB 4.42Å; V706-D714 HydrophobicContact CG1-CB 4.17Å; R707-D714 WeakPolarHBondContact CB-OD2 3.43Å; R707-D714 IonicContact CZ-OD1 3.53Å; R707-D714 IonicContact CZ-OD2 2.93Å; R707-D714 PolarHBondContact N-OD2 2.96Å; R707-D714 IonicContact NE-OD1 2.7Å; R707-D714 IonicContact NE-OD2 3.52Å; R707-D714 PolarHBondContact NE-OD2 3.09Å; R707-D714 IonicContact NH2-OD1 3.71Å; R707-D714 PolarHBondContact NH2-OD1 3.33Å; R707-D714 IonicContact NH2-OD2 3.81Å; R707-D714 PolarHBondContact NH2-OD2 3.02Å; N710-D714 PolarHBondContact ND2-OD1 3.28Å; N710-D714 WeakPolarHBondContact O-CB 3.42Å; N710-D714 PolarHBondContact O-N 2.9Å; V712-D714 PolarHBondContact O-N 3.09Å; D714-L716 PolarHBondContact O-N 3.25Å; D714-R717 PolarHBondContact O-N 2.9Å; D714-R717 IonicContact OD1-CZ 2.67Å; D714-R717 IonicContact OD1-NH1 3.01Å; D714-R717 PolarHBondContact OD1-NH1 2.98Å; D714-R717 IonicContact OD1-NH2 3.42Å; D714-E718 WeakPolarHBondContact O-CG 3.45Å; D714-E718 PolarHBondContact O-N 2.94Å
715A83.7Confident81.4Confident2 Ų258.2 Ų58.22%0.01730%0.296CS..Hα-helixtrans-61-42.5176.300000112.6L711 V712 R717 L719 F750 L754L711-A715 WeakPolarHBondContact O-CB 3.47Å; L711-A715 PolarHBondContact O-N 2.76Å; V712-A715 PolarHBondContact O-N 3.48Å; A715-R717 VanDerWaalsContact C-N 3.33Å; A715-R717 PolarHBondContact O-N 3.13Å; A715-L719 VanDerWaalsContact O-CB 3.29Å; A715-L719 WeakPolarHBondContact O-CB 3.21Å; A715-L719 VanDerWaalsContact O-CG 3.28Å; A715-L719 WeakPolarHBondContact O-CG 3.43Å; A715-L719 PolarHBondContact O-N 2.82Å; A715-F750 HydrophobicContact CB-CE2 4.1Å; A715-F750 HydrophobicContact CB-CZ 4.06Å; A715-L754 HydrophobicContact CB-CD1 4.04Å; A715-L754 HydrophobicContact CB-CD2 3.9Å
716L78.5Confident81.1Confident27 Ų2755.5 Ų55.514%0.14128%0.284CS..Hα-helixtrans-61.5-42.5176.7-66.7168.7000111.2V712 D714 S720 W787 L790V712-L716 HydrophobicContact CG1-CD1 3.69Å; V712-L716 HydrophobicContact CG1-CG 4.21Å; V712-L716 WeakPolarHBondContact O-CB 3.23Å; V712-L716 WeakPolarHBondContact O-CG 3.18Å; V712-L716 PolarHBondContact O-N 2.89Å; D714-L716 PolarHBondContact O-N 3.25Å; L716-S720 VanDerWaalsContact O-CB 3.24Å; L716-S720 WeakPolarHBondContact O-CB 3.27Å; L716-S720 PolarHBondContact O-N 3.09Å; L716-S720 PolarHBondContact O-OG 3.24Å; L716-W787 HydrophobicContact CD1-CD2 4.04Å; L716-W787 HydrophobicContact CD1-CE3 4.12Å; L716-W787 HydrophobicContact CD1-CH2 3.55Å; L716-W787 HydrophobicContact CD1-CZ2 3.43Å; L716-W787 VanDerWaalsContact CD1-CZ2 3.43Å; L716-W787 HydrophobicContact CD1-CZ3 3.9Å; L716-W787 HydrophobicContact CD2-CD2 4.42Å; L716-W787 HydrophobicContact CD2-CE3 4.44Å; L716-L790 HydrophobicContact CB-CD1 4.1Å; L716-L790 HydrophobicContact CD2-CB 3.66Å; L716-L790 HydrophobicContact CD2-CD1 3.21Å; L716-L790 HydrophobicContact CD2-CG 3.94Å; L716-L790 HydrophobicContact CG-CD1 4.2Å
717R82.4Confident81Confident107 Ų10755.6 Ų55.640%0.40429%0.285SS..Hα-helixtrans-63.2-55.1177.5-175-175.268.4-120.4-4.3110.9G713 D714 A715 L719 S720 I721G713-R717 PolarHBondContact O-N 3.28Å; D714-R717 PolarHBondContact O-N 2.9Å; D714-R717 IonicContact OD1-CZ 2.67Å; D714-R717 IonicContact OD1-NH1 3.01Å; D714-R717 PolarHBondContact OD1-NH1 2.98Å; D714-R717 IonicContact OD1-NH2 3.42Å; A715-R717 VanDerWaalsContact C-N 3.33Å; A715-R717 PolarHBondContact O-N 3.13Å; R717-L719 PolarHBondContact O-N 3.04Å; R717-S720 PolarHBondContact O-N 2.72Å; R717-S720 PolarHBondContact O-OG 2.98Å; R717-I721 HydrophobicContact CG-CD1 3.94Å; R717-I721 WeakPolarHBondContact O-CD1 3.26Å; R717-I721 VanDerWaalsContact O-CG1 3.3Å; R717-I721 WeakPolarHBondContact O-CG1 3.41Å; R717-I721 PolarHBondContact O-N 3.25Å
718E82.8Confident80.9Confident31 Ų3152.2 Ų52.215%0.14527%0.273CS..Hα-helixtrans-63.1-44.7-175.3-62.5-55.3132.300111.9L704 D714 S720 I721 H722L704-E718 HydrophobicContact CD2-CB 3.78Å; D714-E718 WeakPolarHBondContact O-CG 3.45Å; D714-E718 PolarHBondContact O-N 2.94Å; E718-S720 VanDerWaalsContact C-N 3.3Å; E718-S720 PolarHBondContact O-N 3.45Å; E718-I721 PolarHBondContact O-N 3.43Å; E718-H722 PolarHBondContact O-CD2 3.34Å
719L82.4Confident81Confident5 Ų547.9 Ų47.93%0.02626%0.257CS..Hα-helixtrans-68-27.6179.9-69173.9000113.3L704 A715 R717 L727 L790 I793 L797L704-L719 HydrophobicContact CD1-CD2 4.02Å; L704-L719 HydrophobicContact CD2-CD2 4.1Å; A715-L719 VanDerWaalsContact O-CB 3.29Å; A715-L719 WeakPolarHBondContact O-CB 3.21Å; A715-L719 VanDerWaalsContact O-CG 3.28Å; A715-L719 WeakPolarHBondContact O-CG 3.43Å; A715-L719 PolarHBondContact O-N 2.82Å; R717-L719 PolarHBondContact O-N 3.04Å; L719-L727 HydrophobicContact CD2-CD2 4.11Å; L719-L790 HydrophobicContact CB-CD2 3.66Å; L719-L790 HydrophobicContact CD1-CD2 4.5Å; L719-I793 HydrophobicContact CD1-CG2 4.39Å; L719-I793 HydrophobicContact CD2-CG2 4.19Å; L719-L797 HydrophobicContact CD2-CD1 3.7Å
720S79.3Confident81.1Confident81 Ų8141.5 Ų41.557%0.56623%0.225SC*.Hα-helixtrans-74.6-24.3177.472.80000114L716 R717 E718L716-S720 VanDerWaalsContact O-CB 3.24Å; L716-S720 WeakPolarHBondContact O-CB 3.27Å; L716-S720 PolarHBondContact O-N 3.09Å; L716-S720 PolarHBondContact O-OG 3.24Å; R717-S720 PolarHBondContact O-N 2.72Å; R717-S720 PolarHBondContact O-OG 2.98Å; E718-S720 VanDerWaalsContact C-N 3.3Å; E718-S720 PolarHBondContact O-N 3.45Å
721I79.1Confident81.1Confident114 Ų11438.9 Ų38.959%0.58521%0.211SC*.Hα-helixtrans-81.6-26.8-176.1-67.2163.1000111.4R717 E718R717-I721 HydrophobicContact CG-CD1 3.94Å; R717-I721 WeakPolarHBondContact O-CD1 3.26Å; R717-I721 VanDerWaalsContact O-CG1 3.3Å; R717-I721 WeakPolarHBondContact O-CG1 3.41Å; R717-I721 PolarHBondContact O-N 3.25Å; E718-I721 PolarHBondContact O-N 3.43Å
722H78.9Confident81.1Confident47 Ų4742.9 Ų42.922%0.21823%0.228CC..SBendtrans-81.6141.9-173.3-70.8-50.3000113.8L702 E718 D726 L727L702-H722 HydrophobicContact CD1-CB 4.2Å; L702-H722 WeakPolarHBondContact CD1-CD2 3.47Å; E718-H722 PolarHBondContact O-CD2 3.34Å; H722-D726 HydrophobicContact CB-CB 4.04Å; H722-L727 HydrophobicContact CB-CD2 4.13Å; H722-L727 HydrophobicContact CB-CG 4.49Å
723S76.3Confident81.3Confident40 Ų4042.6 Ų42.628%0.2823%0.226SC..  trans-77.7162.8175.974.30000112I725 D726 L727S723-I725 PolarHBondContact O-N 3.35Å; S723-I725 VanDerWaalsContact O-N 3.09Å; S723-D726 WeakPolarHBondContact CB-OD2 3.41Å; S723-D726 PolarHBondContact N-OD2 3.36Å; S723-D726 WeakPolarHBondContact O-CA 3.32Å; S723-D726 WeakPolarHBondContact O-CB 3.49Å; S723-D726 PolarHBondContact O-N 3.06Å; S723-D726 VanDerWaalsContact OG-CG 3.29Å; S723-D726 PolarHBondContact OG-OD2 3.35Å; S723-L727 PolarHBondContact O-N 3.41Å; S723-L727 VanDerWaalsContact O-N 3.09Å
724D75.7Confident81.4Confident89 Ų8943.7 Ų43.748%0.47623%0.225SC..THydrogen-bonded Turntrans-53.6-34-179.3-58.219.9000113K915D724-K915 HydrophobicContact CB-CG 4.42Å; D724-K915 VanDerWaalsContact CG-CE 3.43Å; D724-K915 WeakPolarHBondContact OD1-CE 3.23Å; D724-K915 IonicContact OD1-NZ 2.95Å; D724-K915 PolarHBondContact OD1-NZ 2.95Å
725I75.6Confident81.2Confident105 Ų10544 Ų4454%0.53823%0.226SC..THydrogen-bonded Turntrans-76.1-34.1178.6-58168.2000110.7A677 S723 K728A677-I725 HydrophobicContact CB-CG2 4.34Å; S723-I725 PolarHBondContact O-N 3.35Å; S723-I725 VanDerWaalsContact O-N 3.09Å; I725-K728 PolarHBondContact O-N 2.8Å
726D79.5Confident81Confident19 Ų1947.8 Ų47.810%0.10225%0.246CC..G310 helixtrans-69.9-35.3178.7-62.6-48.9000111.4H722 S723 K728 K729H722-D726 HydrophobicContact CB-CB 4.04Å; S723-D726 WeakPolarHBondContact CB-OD2 3.41Å; S723-D726 PolarHBondContact N-OD2 3.36Å; S723-D726 WeakPolarHBondContact O-CA 3.32Å; S723-D726 WeakPolarHBondContact O-CB 3.49Å; S723-D726 PolarHBondContact O-N 3.06Å; S723-D726 VanDerWaalsContact OG-CG 3.29Å; S723-D726 PolarHBondContact OG-OD2 3.35Å; D726-K728 PolarHBondContact O-N 2.99Å; D726-K729 WeakPolarHBondContact O-CB 3.44Å; D726-K729 PolarHBondContact O-N 2.87Å; D726-K729 VanDerWaalsContact O-N 3.09Å; D726-K729 VanDerWaalsContact OD1-CE 3.3Å; D726-K729 WeakPolarHBondContact OD1-CE 3.28Å; D726-K729 IonicContact OD1-NZ 3.84Å; D726-K729 PolarHBondContact OD1-NZ 3.35Å
727L82.9Confident80.7Confident1 Ų150.7 Ų50.71%0.00528%0.283CS..G310 helixtrans-64.5-17.6176.4-65.9176.6000113.8L702 L719 H722 S723 I793 L797 K915 V916L702-L727 HydrophobicContact CD2-CD2 4.29Å; L719-L727 HydrophobicContact CD2-CD2 4.11Å; H722-L727 HydrophobicContact CB-CD2 4.13Å; H722-L727 HydrophobicContact CB-CG 4.49Å; S723-L727 PolarHBondContact O-N 3.41Å; S723-L727 VanDerWaalsContact O-N 3.09Å; L727-I793 HydrophobicContact CD1-CD1 4.2Å; L727-I793 HydrophobicContact CD1-CG2 4.26Å; L727-I793 HydrophobicContact CD2-CG2 4.24Å; L727-L797 WeakPolarHBondContact O-CD2 3.22Å; L727-K915 HydrophobicContact CD1-CD 4.12Å; L727-K915 VanDerWaalsContact CD1-CE 3.44Å; L727-K915 HydrophobicContact CD1-CG 4.15Å; L727-V916 HydrophobicContact CB-CG2 4.12Å; L727-V916 HydrophobicContact CD1-CG2 4.16Å
728K83.3Confident80.4Confident48 Ų4849.6 Ų49.621%0.20928%0.282CS..G310 helixtrans-93.81.8176.9-64.4-173.2178.4-169.30113.4M674 A677 I725 D726 Y800 K915M674-K728 VanDerWaalsContact CA-O 3.31Å; M674-K728 WeakPolarHBondContact CA-O 3.29Å; M674-K728 VanDerWaalsContact CG-O 3.23Å; M674-K728 WeakPolarHBondContact CG-O 3.22Å; A677-K728 HydrophobicContact CB-CB 4.39Å; I725-K728 PolarHBondContact O-N 2.8Å; D726-K728 PolarHBondContact O-N 2.99Å; K728-Y800 HydrophobicContact CB-CE1 4.39Å; K728-K915 WeakPolarHBondContact CE-O 3.36Å
729K84.1Confident79.2Confident7 Ų758.2 Ų58.23%0.0332%0.322CS..SBendtrans-77157.6174.3-67.3173.1179.5173.70110.7A677 S699 L702 D726 L731A677-K729 HydrophobicContact CB-CG 4.03Å; S699-K729 WeakPolarHBondContact O-CE 3.42Å; S699-K729 PolarHBondContact O-NZ 2.88Å; L702-K729 HydrophobicContact CB-CB 4.15Å; D726-K729 WeakPolarHBondContact O-CB 3.44Å; D726-K729 PolarHBondContact O-N 2.87Å; D726-K729 VanDerWaalsContact O-N 3.09Å; D726-K729 VanDerWaalsContact OD1-CE 3.3Å; D726-K729 WeakPolarHBondContact OD1-CE 3.28Å; D726-K729 IonicContact OD1-NZ 3.84Å; D726-K729 PolarHBondContact OD1-NZ 3.35Å; K729-L731 PolarHBondContact O-N 3.35Å
730P82.6Confident78.2Confident33 Ų3360.7 Ų60.721%0.21434%0.344CS..PPolyproline II helixtrans-56.1129.9172.2-21.732.1000110.9M674 V678 F701 L702M674-P730 HydrophobicContact CB-CG 4.27Å; M674-P730 HydrophobicContact CG-CG 4.41Å; M674-P730 HydrophobicContact SD-CB 4.41Å; M674-P730 HydrophobicContact SD-CG 4.18Å; V678-P730 HydrophobicContact CG2-CG 4.11Å; F701-P730 WeakPolarHBondContact CA-O 2.95Å; F701-P730 HydrophobicContact CD1-CB 3.91Å; F701-P730 HydrophobicContact CE1-CB 4.17Å; L702-P730 PolarHBondContact N-O 3.06Å
731L85.6Confident77.2Confident16 Ų1662.9 Ų62.98%0.08435%0.354CS..EExtended strand (participates in β ladder)trans-79.6140.1-175.9177.463000110.8L702 L704 K729 V733 T747 F751L702-L731 HydrophobicContact CB-CD1 4.49Å; L702-L731 HydrophobicContact CD2-CD1 3.9Å; L702-L731 HydrophobicContact CG-CD1 4.07Å; L704-L731 HydrophobicContact CD1-CD1 3.6Å; L704-L731 HydrophobicContact CG-CD1 3.76Å; K729-L731 PolarHBondContact O-N 3.35Å; L731-V733 HydrophobicContact CD1-CG2 4.18Å; L731-V733 HydrophobicContact CD2-CG2 4.16Å; L731-V733 HydrophobicContact CG-CG2 4.06Å; L731-T747 HydrophobicContact CD2-CG2 3.72Å; L731-T747 HydrophobicContact CG-CG2 4.37Å; L731-F751 HydrophobicContact CD2-CE2 3.84Å; L731-F751 HydrophobicContact CD2-CZ 3.52Å
732K83.8Confident76.2Confident90 Ų9059 Ų5939%0.39133%0.334SS..EExtended strand (participates in β ladder)trans-135.8117.5170.8-175.1177-177.91800109.3L702 V703 L704 I734 D742L702-K732 PolarHBondContact O-N 3.36Å; V703-K732 WeakPolarHBondContact CA-O 3.34Å; V703-K732 HydrophobicContact CG2-CB 4.47Å; L704-K732 PolarHBondContact N-O 2.97Å; K732-I734 HydrophobicContact CG-CG1 4.5Å; K732-D742 WeakPolarHBondContact CA-OD2 3.39Å; K732-D742 HydrophobicContact CG-CB 4.28Å
733V84.1Confident75.1Confident4 Ų461 Ų612%0.02436%0.359CS..EExtended strand (participates in β ladder)trans-100.7133.5178.9-175.40000110.2V706 L731 D742 V746 F750V706-V733 HydrophobicContact CG2-CG1 3.86Å; L731-V733 HydrophobicContact CD1-CG2 4.18Å; L731-V733 HydrophobicContact CD2-CG2 4.16Å; L731-V733 HydrophobicContact CG-CG2 4.06Å; V733-D742 PolarHBondContact N-OD2 3.05Å; V733-V746 HydrophobicContact CB-CG1 4.22Å; V733-V746 HydrophobicContact CG1-CG1 4.32Å; V733-F750 HydrophobicContact CB-CB 4.46Å; V733-F750 HydrophobicContact CG1-CB 3.97Å; V733-F750 HydrophobicContact CG1-CD2 4.02Å; V733-F750 HydrophobicContact CG1-CG 4.01Å; V733-F750 HydrophobicContact CG2-CB 4.12Å; V733-F750 HydrophobicContact CG2-CD1 4Å; V733-F750 HydrophobicContact CG2-CG 4Å
734I82.8Confident74.5Confident51 Ų5161.1 Ų61.126%0.26237%0.366SS..EExtended strand (participates in β ladder)trans-125.3117.4178-57.5177.5000108.5V703 L704 V706 K732V703-I734 HydrophobicContact CG1-CD1 3.7Å; V703-I734 HydrophobicContact CG1-CG1 4.31Å; L704-I734 PolarHBondContact O-N 2.99Å; V706-I734 PolarHBondContact N-O 2.64Å; K732-I734 HydrophobicContact CG-CG1 4.5Å
735F82.7Confident74.2Confident7 Ų757.2 Ų57.23%0.03135%0.347CS..EExtended strand (participates in β ladder)trans-81.7117.5168-75.6-73.1000109.6V706 R708 L711 G737 E738 V746V706-F735 HydrophobicContact CG2-CD1 3.77Å; V706-F735 HydrophobicContact CG2-CE1 3.7Å; V706-F735 HydrophobicContact CG2-CG 4.45Å; V706-F735 HydrophobicContact CG2-CZ 4.32Å; V706-F735 VanDerWaalsContact O-CA 3.29Å; V706-F735 WeakPolarHBondContact O-CA 3.32Å; R708-F735 HydrophobicContact CG-CD1 3.78Å; R708-F735 HydrophobicContact CG-CE1 3.97Å; L711-F735 HydrophobicContact CD1-CE1 4.07Å; F735-G737 PolarHBondContact O-N 2.83Å; F735-E738 HydrophobicContact CB-CB 4.28Å; F735-E738 HydrophobicContact CB-CG 4.27Å; F735-E738 PolarHBondContact O-N 2.9Å; F735-E738 VanDerWaalsContact O-N 3.13Å; F735-V746 HydrophobicContact CD2-CG1 3.7Å; F735-V746 HydrophobicContact CE2-CG1 3.78Å
736D79.4Confident74.2Confident81 Ų8152.5 Ų52.543%0.43332%0.323SS..THydrogen-bonded Turntrans-63122-176-72.9-20.5000110.8H705 V706 R707H705-D736 IonicContact CG-OD1 3.86Å; H705-D736 IonicContact ND1-OD1 2.69Å; H705-D736 PolarHBondContact ND1-OD1 3.21Å; V706-D736 PolarHBondContact O-N 3.44Å; R707-D736 HydrophobicContact CG-CB 3.96Å
737G72.6Confident74.2Confident89 Ų8952 Ų5292%0.91832%0.32SS*.THydrogen-bonded Turntrans97.51.8-17800000115.3F735F735-G737 PolarHBondContact O-N 2.83Å
738E75.5Confident73.9Confident83 Ų8354 Ų5439%0.38833%0.329SS..  trans-114.2129.1178.8-64.4178.7-167.900111.7R708 F735 A740R708-E738 IonicContact CZ-OE1 3.97Å; R708-E738 IonicContact CZ-OE2 3.99Å; R708-E738 IonicContact NE-OE1 2.79Å; R708-E738 PolarHBondContact NE-OE1 2.95Å; R708-E738 IonicContact NE-OE2 3.66Å; R708-E738 IonicContact NH2-OE1 3.44Å; R708-E738 IonicContact NH2-OE2 3.26Å; R708-E738 PolarHBondContact NH2-OE2 3.02Å; F735-E738 HydrophobicContact CB-CB 4.28Å; F735-E738 HydrophobicContact CB-CG 4.27Å; F735-E738 PolarHBondContact O-N 2.9Å; F735-E738 VanDerWaalsContact O-N 3.13Å; E738-A740 VanDerWaalsContact C-N 3.31Å; E738-A740 PolarHBondContact O-N 3.43Å; E738-A740 VanDerWaalsContact O-N 3.1Å
739E57.1Low73.7Confident212 Ų21253.2 Ų53.299%0.99133%0.326SS*.  trans-83.772.7171.3-70.5-168.8170.700110.3
740A60.6Low73.7Confident57 Ų5752.9 Ų52.947%0.47133%0.325SS..  trans-110.8132.817500000111.4E738 V746E738-A740 VanDerWaalsContact C-N 3.31Å; E738-A740 PolarHBondContact O-N 3.43Å; E738-A740 VanDerWaalsContact O-N 3.1Å; A740-V746 HydrophobicContact CB-CG2 3.99Å
741V58.9Low73.8Confident128 Ų12851.3 Ų51.378%0.77632%0.315SS*.  trans-88.1112.7168.8-179.60000107.7A743V741-A743 PolarHBondContact O-N 3.17Å
742D57.6Low73.5Confident31 Ų3152.3 Ų52.317%0.16632%0.32CS..  trans-6895.4177.9-169.69.2000110.7K732 V733 G744 V746 T747K732-D742 WeakPolarHBondContact CA-OD2 3.39Å; K732-D742 HydrophobicContact CG-CB 4.28Å; V733-D742 PolarHBondContact N-OD2 3.05Å; D742-G744 PolarHBondContact OD1-N 3.11Å; D742-V746 HydrophobicContact CB-CB 4.43Å; D742-T747 PolarHBondContact OD1-OG1 3.45Å; D742-T747 PolarHBondContact OD2-OG1 2.95Å
743A57.3Low73.4Confident91 Ų9150.6 Ų50.675%0.75231%0.314SS*.SBendtrans-101.723.6169.700000111.6V741V741-A743 PolarHBondContact O-N 3.17Å
744G62.1Low73.4Confident41 Ų4150.5 Ų50.542%0.42331%0.314SS..SBendtrans102.3-25.4179.600000114.9D742 T747 K748D742-G744 PolarHBondContact OD1-N 3.11Å; G744-T747 PolarHBondContact O-N 3.36Å; G744-K748 PolarHBondContact O-N 3.44Å
745G69.7Low73.5Confident7 Ų748.2 Ų48.27%0.07230%0.302CS..Hα-helixtrans-65.5-41.1177.800000113.5K748 E749 C1018G745-K748 PolarHBondContact O-N 3.38Å; G745-E749 WeakPolarHBondContact O-CB 3.44Å; G745-E749 PolarHBondContact O-N 3.21Å; G745-C1018 WeakPolarHBondContact CA-O 3.18Å
746V76.9Confident73.5Confident7 Ų755.3 Ų55.34%0.04233%0.333CS..Hα-helixtrans-68.3-40.5178.4-177.10000110.6V733 F735 A740 D742 E749 F750V733-V746 HydrophobicContact CB-CG1 4.22Å; V733-V746 HydrophobicContact CG1-CG1 4.32Å; F735-V746 HydrophobicContact CD2-CG1 3.7Å; F735-V746 HydrophobicContact CE2-CG1 3.78Å; A740-V746 HydrophobicContact CB-CG2 3.99Å; D742-V746 HydrophobicContact CB-CB 4.43Å; V746-E749 WeakPolarHBondContact O-CB 3.29Å; V746-E749 PolarHBondContact O-N 3.18Å; V746-F750 WeakPolarHBondContact O-CB 3.42Å; V746-F750 PolarHBondContact O-N 3.24Å
747T79.3Confident73.7Confident8 Ų855.1 Ų55.15%0.04933%0.329CS..Hα-helixtrans-62.8-42.8174.1-70.70000112.3L731 D742 G744 F750 F751L731-T747 HydrophobicContact CD2-CG2 3.72Å; L731-T747 HydrophobicContact CG-CG2 4.37Å; D742-T747 PolarHBondContact OD1-OG1 3.45Å; D742-T747 PolarHBondContact OD2-OG1 2.95Å; G744-T747 PolarHBondContact O-N 3.36Å; T747-F750 WeakPolarHBondContact O-CB 3.37Å; T747-F750 PolarHBondContact O-N 2.95Å; T747-F751 HydrophobicContact CG2-CD2 3.98Å; T747-F751 HydrophobicContact CG2-CE2 3.5Å; T747-F751 VanDerWaalsContact CG2-CE2 3.5Å; T747-F751 HydrophobicContact CG2-CZ 4.48Å; T747-F751 WeakPolarHBondContact O-CD2 3Å; T747-F751 PolarHBondContact O-N 3.42Å
748K76.8Confident74.1Confident43 Ų4351 Ų5119%0.18729%0.287CS..Hα-helixtrans-60.5-45.8174.6-176.7-174.4177-156.70111.4G744 G745 F750 F751 L752 T803 T985 T1017 N1020G744-K748 PolarHBondContact O-N 3.44Å; G745-K748 PolarHBondContact O-N 3.38Å; K748-F750 PolarHBondContact O-N 3.41Å; K748-F751 PolarHBondContact O-N 3.46Å; K748-L752 HydrophobicContact CG-CD1 4.21Å; K748-L752 WeakPolarHBondContact O-CG 3.43Å; K748-L752 PolarHBondContact O-N 3.04Å; K748-L752 VanDerWaalsContact O-N 3.16Å; K748-T803 HydrophobicContact CG-CG2 4.19Å; K748-T985 PolarHBondContact NZ-O 3.4Å; K748-T985 VanDerWaalsContact NZ-O 3.09Å; K748-T1017 PolarHBondContact NZ-O 3.44Å; K748-N1020 PolarHBondContact NZ-OD1 2.87Å
749E78.4Confident74.5Confident31 Ų3147.8 Ų47.815%0.14527%0.272CS..Hα-helixtrans-59.3-46.1178-169.4179.1170.300112R708 G745 V746 F751 L752 L753 C1018R708-E749 IonicContact CZ-OE1 3.76Å; R708-E749 IonicContact NH1-OE1 3.65Å; R708-E749 PolarHBondContact NH1-OE1 3.27Å; R708-E749 IonicContact NH2-OE1 3Å; R708-E749 PolarHBondContact NH2-OE1 3.03Å; R708-E749 VanDerWaalsContact NH2-OE1 3.13Å; R708-E749 IonicContact NH2-OE2 2.72Å; G745-E749 WeakPolarHBondContact O-CB 3.44Å; G745-E749 PolarHBondContact O-N 3.21Å; V746-E749 WeakPolarHBondContact O-CB 3.29Å; V746-E749 PolarHBondContact O-N 3.18Å; E749-F751 PolarHBondContact O-N 2.94Å; E749-L752 PolarHBondContact O-N 2.87Å; E749-L753 HydrophobicContact CG-CD1 3.99Å; E749-L753 HydrophobicContact CG-CG 4.44Å; E749-L753 WeakPolarHBondContact O-CG 3.33Å; E749-L753 PolarHBondContact O-N 3.11Å; E749-C1018 VanDerWaalsContact CB-SG 3.59Å; E749-C1018 VanDerWaalsContact CD-SG 3.51Å; E749-C1018 PolarHBondContact OE2-SG 3.2Å
750F84.9Confident75.7Confident1 Ų140.6 Ų40.60%0.00424%0.24CC..Hα-helixtrans-54.3-49176.9169.7-102.6000112.5L704 V706 L711 A715 V733 V746 T747 K748 L754L704-F750 HydrophobicContact CD1-CE1 4.11Å; L704-F750 HydrophobicContact CD1-CZ 4.03Å; V706-F750 HydrophobicContact CG1-CE2 4.06Å; V706-F750 HydrophobicContact CG2-CD2 4.19Å; V706-F750 HydrophobicContact CG2-CE2 4.37Å; L711-F750 HydrophobicContact CD1-CD2 3.79Å; L711-F750 HydrophobicContact CD1-CE2 3.87Å; A715-F750 HydrophobicContact CB-CE2 4.1Å; A715-F750 HydrophobicContact CB-CZ 4.06Å; V733-F750 HydrophobicContact CB-CB 4.46Å; V733-F750 HydrophobicContact CG1-CB 3.97Å; V733-F750 HydrophobicContact CG1-CD2 4.02Å; V733-F750 HydrophobicContact CG1-CG 4.01Å; V733-F750 HydrophobicContact CG2-CB 4.12Å; V733-F750 HydrophobicContact CG2-CD1 4Å; V733-F750 HydrophobicContact CG2-CG 4Å; V746-F750 WeakPolarHBondContact O-CB 3.42Å; V746-F750 PolarHBondContact O-N 3.24Å; T747-F750 WeakPolarHBondContact O-CB 3.37Å; T747-F750 PolarHBondContact O-N 2.95Å; K748-F750 PolarHBondContact O-N 3.41Å; F750-L754 HydrophobicContact CE1-CD2 3.97Å; F750-L754 HydrophobicContact CE2-CD2 4Å; F750-L754 HydrophobicContact CZ-CD2 3.48Å; F750-L754 VanDerWaalsContact CZ-CD2 3.48Å; F750-L754 WeakPolarHBondContact O-CB 3.26Å; F750-L754 PolarHBondContact O-N 3.34Å
751F84.7Confident76.6Confident0 Ų040.8 Ų40.80%024%0.237CC..Hα-helixtrans-65.7-41.9-180-72.2-58.8000113L731 T747 K748 E749 L755 T794 L797 A798 T803 V805L731-F751 HydrophobicContact CD2-CE2 3.84Å; L731-F751 HydrophobicContact CD2-CZ 3.52Å; T747-F751 HydrophobicContact CG2-CD2 3.98Å; T747-F751 HydrophobicContact CG2-CE2 3.5Å; T747-F751 VanDerWaalsContact CG2-CE2 3.5Å; T747-F751 HydrophobicContact CG2-CZ 4.48Å; T747-F751 WeakPolarHBondContact O-CD2 3Å; T747-F751 PolarHBondContact O-N 3.42Å; K748-F751 PolarHBondContact O-N 3.46Å; E749-F751 PolarHBondContact O-N 2.94Å; F751-L755 WeakPolarHBondContact O-CB 3.35Å; F751-L755 WeakPolarHBondContact O-CG 3.32Å; F751-L755 PolarHBondContact O-N 3.46Å; F751-T794 HydrophobicContact CD1-CG2 3.78Å; F751-T794 HydrophobicContact CE1-CG2 4.04Å; F751-L797 HydrophobicContact CE1-CB 3.85Å; F751-L797 HydrophobicContact CZ-CB 3.74Å; F751-A798 HydrophobicContact CD1-CB 4.03Å; F751-A798 HydrophobicContact CD2-CB 4.38Å; F751-A798 HydrophobicContact CE1-CB 4.19Å; F751-A798 HydrophobicContact CG-CB 4.15Å; F751-A798 HydrophobicContact CZ-CB 4.43Å; F751-T803 HydrophobicContact CB-CG2 4.38Å; F751-T803 HydrophobicContact CD2-CG2 4.04Å; F751-V805 HydrophobicContact CB-CG2 4.43Å
752L78.7Confident77.5Confident37 Ų3741.6 Ų41.619%0.19424%0.235CC..Hα-helixtrans-63.8-43.9179.8-70.3174.7000111.7K748 E749 K756K748-L752 HydrophobicContact CG-CD1 4.21Å; K748-L752 WeakPolarHBondContact O-CG 3.43Å; K748-L752 PolarHBondContact O-N 3.04Å; K748-L752 VanDerWaalsContact O-N 3.16Å; E749-L752 PolarHBondContact O-N 2.87Å; L752-K756 WeakPolarHBondContact O-CB 3.47Å; L752-K756 PolarHBondContact O-N 3.03Å
753L81.3Confident78.5Confident53 Ų5344.9 Ų44.928%0.27725%0.246SC..Hα-helixtrans-69-48.7178.5-67.3176.3000111.5L711 E749 L755 K756 E757L711-L753 HydrophobicContact CD2-CB 3.45Å; L711-L753 VanDerWaalsContact CD2-CB 3.45Å; L711-L753 HydrophobicContact CD2-CD1 4.45Å; E749-L753 HydrophobicContact CG-CD1 3.99Å; E749-L753 HydrophobicContact CG-CG 4.44Å; E749-L753 WeakPolarHBondContact O-CG 3.33Å; E749-L753 PolarHBondContact O-N 3.11Å; L753-L755 PolarHBondContact O-N 3.22Å; L753-K756 PolarHBondContact O-N 2.98Å; L753-E757 PolarHBondContact O-N 3.37Å
754L84.8Confident79.6Confident2 Ų241.4 Ų41.41%0.0122%0.219CC..Hα-helixtrans-63.8-45.5-175.7-178.362.2000111.6L711 V712 A715 F750 E757 L758 T794L711-L754 HydrophobicContact CD2-CB 4.17Å; L711-L754 HydrophobicContact CG-CD1 4.32Å; V712-L754 HydrophobicContact CB-CD1 4.49Å; V712-L754 HydrophobicContact CG2-CD1 3.95Å; A715-L754 HydrophobicContact CB-CD1 4.04Å; A715-L754 HydrophobicContact CB-CD2 3.9Å; F750-L754 HydrophobicContact CE1-CD2 3.97Å; F750-L754 HydrophobicContact CE2-CD2 4Å; F750-L754 HydrophobicContact CZ-CD2 3.48Å; F750-L754 VanDerWaalsContact CZ-CD2 3.48Å; F750-L754 WeakPolarHBondContact O-CB 3.26Å; F750-L754 PolarHBondContact O-N 3.34Å; L754-E757 PolarHBondContact O-N 2.92Å; L754-L758 HydrophobicContact CD1-CD1 3.73Å; L754-L758 HydrophobicContact CD1-CG 4.02Å; L754-L758 HydrophobicContact CD2-CD1 4.33Å; L754-L758 HydrophobicContact CG-CD1 3.66Å; L754-L758 HydrophobicContact CG-CG 4.31Å; L754-L758 WeakPolarHBondContact O-CB 3.3Å; L754-L758 VanDerWaalsContact O-CG 3.22Å; L754-L758 WeakPolarHBondContact O-CG 3.44Å; L754-L758 PolarHBondContact O-N 3.5Å; L754-T794 HydrophobicContact CD2-CG2 3.71Å; L754-T794 HydrophobicContact CG-CG2 4.37Å
755L83.9Confident80.7Confident3 Ų339.5 Ų39.52%0.01620%0.199CC..Hα-helixtrans-73.7-31.7-178.6-69.5166.9000112.3F751 L753 E757 L759 I791 T794 V805F751-L755 WeakPolarHBondContact O-CB 3.35Å; F751-L755 WeakPolarHBondContact O-CG 3.32Å; F751-L755 PolarHBondContact O-N 3.46Å; L753-L755 PolarHBondContact O-N 3.22Å; L755-E757 VanDerWaalsContact C-N 3.34Å; L755-L759 HydrophobicContact CB-CD1 4.49Å; L755-L759 VanDerWaalsContact O-CB 3.26Å; L755-L759 WeakPolarHBondContact O-CB 3.16Å; L755-L759 WeakPolarHBondContact O-CG 3.43Å; L755-L759 PolarHBondContact O-N 3.22Å; L755-I791 HydrophobicContact CD2-CG2 4.42Å; L755-T794 HydrophobicContact CD1-CG2 4.06Å; L755-T794 HydrophobicContact CD2-CG2 3.8Å; L755-T794 HydrophobicContact CG-CG2 3.85Å; L755-V805 HydrophobicContact CB-CG1 4.18Å; L755-V805 HydrophobicContact CD1-CB 4.16Å; L755-V805 HydrophobicContact CD1-CG1 3.44Å; L755-V805 VanDerWaalsContact CD1-CG1 3.44Å; L755-V805 HydrophobicContact CD1-CG2 3.87Å; L755-V805 HydrophobicContact CG-CG1 4.42Å
756K82.2Confident81.6Confident156 Ų15639.4 Ų39.468%0.67820%0.197SC*.Hα-helixtrans-62.8-40.7171.8-176.4179-179.9-178.90112L752 L753L752-K756 WeakPolarHBondContact O-CB 3.47Å; L752-K756 PolarHBondContact O-N 3.03Å; L753-K756 PolarHBondContact O-N 2.98Å
757E83.4Confident82.1Confident77 Ų7741.9 Ų41.936%0.3621%0.212SC..Hα-helixtrans-71.4-48.6175.8-72-173.8176.400111.6V712 L753 L754 L755 L759 N760 Y763V712-E757 HydrophobicContact CG2-CB 4.01Å; V712-E757 VanDerWaalsContact CG2-OE2 3.29Å; V712-E757 WeakPolarHBondContact CG2-OE2 3.31Å; L753-E757 PolarHBondContact O-N 3.37Å; L754-E757 PolarHBondContact O-N 2.92Å; L755-E757 VanDerWaalsContact C-N 3.34Å; E757-L759 VanDerWaalsContact C-N 3.32Å; E757-L759 PolarHBondContact O-N 2.93Å; E757-N760 VanDerWaalsContact O-CB 3.23Å; E757-N760 WeakPolarHBondContact O-CB 3.15Å; E757-N760 PolarHBondContact O-N 3.46Å; E757-Y763 WeakPolarHBondContact O-CD2 3.44Å; E757-Y763 WeakPolarHBondContact O-CE2 3.31Å
758L83Confident82.5Confident3 Ų346.6 Ų46.62%0.01623%0.229CC..Hα-helixtrans-65.1-30.6-176.2-72.9174.3000114.1V712 L754 N760 W787 I791V712-L758 HydrophobicContact CG1-CD2 3.91Å; V712-L758 HydrophobicContact CG2-CD2 4.23Å; V712-L758 HydrophobicContact CG2-CG 4.46Å; L754-L758 HydrophobicContact CD1-CD1 3.73Å; L754-L758 HydrophobicContact CD1-CG 4.02Å; L754-L758 HydrophobicContact CD2-CD1 4.33Å; L754-L758 HydrophobicContact CG-CD1 3.66Å; L754-L758 HydrophobicContact CG-CG 4.31Å; L754-L758 WeakPolarHBondContact O-CB 3.3Å; L754-L758 VanDerWaalsContact O-CG 3.22Å; L754-L758 WeakPolarHBondContact O-CG 3.44Å; L754-L758 PolarHBondContact O-N 3.5Å; L758-N760 VanDerWaalsContact C-N 3.31Å; L758-W787 HydrophobicContact CD2-CE3 3.85Å; L758-W787 HydrophobicContact CD2-CZ3 3.77Å; L758-I791 HydrophobicContact CB-CD1 4.29Å; L758-I791 HydrophobicContact CB-CG1 4.11Å; L758-I791 HydrophobicContact CD1-CG1 3.91Å; L758-I791 HydrophobicContact CD2-CG1 4.43Å; L758-I791 HydrophobicContact CG-CG1 4.38Å
759L83.8Confident83Confident15 Ų1546.5 Ų46.58%0.07923%0.228CC..THydrogen-bonded Turntrans-89.42.1179.9-61.7174.5000113.1L755 E757 P761 F766 L775 I791 L807 F809L755-L759 HydrophobicContact CB-CD1 4.49Å; L755-L759 VanDerWaalsContact O-CB 3.26Å; L755-L759 WeakPolarHBondContact O-CB 3.16Å; L755-L759 WeakPolarHBondContact O-CG 3.43Å; L755-L759 PolarHBondContact O-N 3.22Å; E757-L759 VanDerWaalsContact C-N 3.32Å; E757-L759 PolarHBondContact O-N 2.93Å; L759-P761 WeakPolarHBondContact O-CD 3.1Å; L759-F766 HydrophobicContact CD2-CD2 3.99Å; L759-F766 HydrophobicContact CD2-CE2 3.51Å; L759-F766 HydrophobicContact CD2-CZ 3.91Å; L759-L775 HydrophobicContact CB-CD1 4.13Å; L759-I791 HydrophobicContact CD2-CG2 4.49Å; L759-L807 HydrophobicContact CD1-CD2 3.38Å; L759-F809 HydrophobicContact CD2-CE2 3.91Å; L759-F809 HydrophobicContact CD2-CZ 3.77Å
760N82.3Confident83.2Confident62 Ų6252.7 Ų52.733%0.33226%0.257SS..  trans-64.8123.5-179.9-168.8-34.1000110.2E757 L758 I762 Y763E757-N760 VanDerWaalsContact O-CB 3.23Å; E757-N760 WeakPolarHBondContact O-CB 3.15Å; E757-N760 PolarHBondContact O-N 3.46Å; L758-N760 VanDerWaalsContact C-N 3.31Å; N760-I762 PolarHBondContact O-N 3.36Å; N760-I762 WeakPolarHBondContact OD1-CB 3.43Å; N760-I762 WeakPolarHBondContact OD1-CD1 3.13Å; N760-I762 WeakPolarHBondContact OD1-CG1 3.32Å; N760-I762 PolarHBondContact OD1-N 3.43Å; N760-Y763 HydrophobicContact CB-CD2 4.07Å; N760-Y763 HydrophobicContact CB-CE2 4.24Å; N760-Y763 PolarHBondContact O-N 3.28Å; N760-Y763 VanDerWaalsContact O-N 3.11Å
761P78.4Confident83.1Confident61 Ų6157.9 Ų57.940%0.39629%0.285SS..G310 helixtrans-56.3-19.7179.9-2735.5000114.6L759 Y763 G764 L775L759-P761 WeakPolarHBondContact O-CD 3.1Å; P761-Y763 PolarHBondContact O-N 3.23Å; P761-G764 PolarHBondContact O-N 3.01Å; P761-L775 HydrophobicContact CG-CD2 4.06Å
762I78.3Confident83.1Confident145 Ų14559.1 Ų59.174%0.74429%0.294SS*.G310 helixtrans-56.2-33176.4-66.8170.1000112.1N760 G764N760-I762 PolarHBondContact O-N 3.36Å; N760-I762 WeakPolarHBondContact OD1-CB 3.43Å; N760-I762 WeakPolarHBondContact OD1-CD1 3.13Å; N760-I762 WeakPolarHBondContact OD1-CG1 3.32Å; N760-I762 PolarHBondContact OD1-N 3.43Å; I762-G764 PolarHBondContact O-N 3.13Å
763Y78.8Confident83.4Confident100 Ų10061.8 Ų61.839%0.39231%0.308SS..G310 helixtrans-73.5-9.7178.4-68.5-73.3000113.5E757 N760 P761 M765 V783E757-Y763 WeakPolarHBondContact O-CD2 3.44Å; E757-Y763 WeakPolarHBondContact O-CE2 3.31Å; N760-Y763 HydrophobicContact CB-CD2 4.07Å; N760-Y763 HydrophobicContact CB-CE2 4.24Å; N760-Y763 PolarHBondContact O-N 3.28Å; N760-Y763 VanDerWaalsContact O-N 3.11Å; P761-Y763 PolarHBondContact O-N 3.23Å; Y763-M765 PolarHBondContact O-N 3.21Å; Y763-V783 WeakPolarHBondContact O-CG2 3.25Å
764G79.6Confident83.7Confident18 Ų1860.6 Ų60.619%0.18630%0.302CS..SBendtrans68.113.4178.600000114.8P761 I762P761-G764 PolarHBondContact O-N 3.01Å; I762-G764 PolarHBondContact O-N 3.13Å
765M85.1Confident84Confident1 Ų161.1 Ų61.11%0.00531%0.305CS..SBendtrans-79.5-31.8176.4-64.3-177.866.700112.6Y763 S778 V783 W787 F788 I791Y763-M765 PolarHBondContact O-N 3.21Å; M765-S778 PolarHBondContact O-N 3.01Å; M765-V783 HydrophobicContact CG-CB 4.1Å; M765-V783 HydrophobicContact CG-CG1 4.32Å; M765-V783 HydrophobicContact CG-CG2 3.79Å; M765-V783 HydrophobicContact SD-CG1 4.13Å; M765-W787 HydrophobicContact CE-CB 3.65Å; M765-W787 HydrophobicContact SD-CB 4.15Å; M765-W787 HydrophobicContact SD-CE3 4.29Å; M765-F788 HydrophobicContact CB-CE1 3.95Å; M765-F788 HydrophobicContact CB-CZ 3.92Å; M765-F788 HydrophobicContact CE-CD1 3.58Å; M765-F788 HydrophobicContact CE-CD2 3.97Å; M765-F788 HydrophobicContact CE-CE1 3.55Å; M765-F788 HydrophobicContact CE-CE2 3.95Å; M765-F788 HydrophobicContact CE-CG 3.8Å; M765-F788 HydrophobicContact CE-CZ 3.76Å; M765-F788 HydrophobicContact CG-CE1 4.48Å; M765-F788 HydrophobicContact CG-CZ 4.15Å; M765-I791 HydrophobicContact CE-CD1 3.34Å; M765-I791 HydrophobicContact SD-CD1 4.11Å
766F89.1Confident84.4Confident4 Ų461 Ų612%0.01830%0.304CS..EExtended strand (participates in β ladder)trans-130.8138.2-178-55.2-78.2000110.9L759 L775 W776 F777 S778 F788 I791 F809L759-F766 HydrophobicContact CD2-CD2 3.99Å; L759-F766 HydrophobicContact CD2-CE2 3.51Å; L759-F766 HydrophobicContact CD2-CZ 3.91Å; F766-L775 HydrophobicContact CB-CB 4.31Å; F766-L775 HydrophobicContact CB-CD2 4.34Å; F766-W776 CarbonylContact C-O 3.57Å; F766-W776 WeakPolarHBondContact CA-O 3.42Å; F766-F777 HydrophobicContact CD1-CD1 4.31Å; F766-F777 HydrophobicContact CD1-CG 4.46Å; F766-F777 AromaticContact CE1-CD1 3.74Å; F766-F777 HydrophobicContact CE1-CD1 3.74Å; F766-F777 AromaticContact CE1-CE1 3.76Å; F766-F777 HydrophobicContact CE1-CE1 3.76Å; F766-F777 HydrophobicContact CE1-CG 4.24Å; F766-F777 HydrophobicContact CE1-CZ 4.27Å; F766-F777 HydrophobicContact CZ-CE1 4.43Å; F766-S778 WeakPolarHBondContact CA-OG 3.46Å; F766-S778 PolarHBondContact N-OG 3.16Å; F766-F788 HydrophobicContact CE1-CE1 4.42Å; F766-F788 HydrophobicContact CZ-CD1 4.43Å; F766-F788 HydrophobicContact CZ-CE1 4.3Å; F766-I791 HydrophobicContact CE2-CD1 3.84Å; F766-I791 HydrophobicContact CZ-CD1 3.99Å; F766-F809 AromaticContact CD1-CE1 3.61Å; F766-F809 HydrophobicContact CD1-CE1 3.61Å; F766-F809 AromaticContact CD1-CZ 3.78Å; F766-F809 HydrophobicContact CD1-CZ 3.78Å; F766-F809 AromaticContact CE1-CE1 3.63Å; F766-F809 HydrophobicContact CE1-CE1 3.63Å; F766-F809 AromaticContact CE1-CZ 3.46Å; F766-F809 HydrophobicContact CE1-CZ 3.46Å; F766-F809 VanDerWaalsContact CE1-CZ 3.46Å; F766-F809 HydrophobicContact CG-CE1 4.44Å; F766-F809 HydrophobicContact CG-CZ 4.44Å; F766-F809 HydrophobicContact CZ-CE1 4.49Å; F766-F809 AromaticContact CZ-CZ 3.88Å; F766-F809 HydrophobicContact CZ-CZ 3.88Å
767T87.8Confident84.8Confident59 Ų5953.7 Ų53.736%0.36227%0.272SS..EExtended strand (participates in β ladder)trans-89.5131173.3-55.70000109.5Y769 L775 W776 S778T767-Y769 HydrophobicContact CG2-CD2 4.46Å; T767-Y769 HydrophobicContact CG2-CE2 4.03Å; T767-L775 WeakPolarHBondContact O-CA 3.43Å; T767-W776 PolarHBondContact N-O 2.94Å; T767-W776 PolarHBondContact O-N 3.49Å; T767-S778 PolarHBondContact N-OG 3.04Å; T767-S778 VanDerWaalsContact N-OG 3.14Å; T767-S778 PolarHBondContact OG1-OG 3.35Å
768Y88Confident85Confident107 Ų10750.6 Ų50.642%0.4226%0.259SS..EExtended strand (participates in β ladder)trans-92.4124.6176.3178.8-106.7000111.3Q770 N773 L775Y768-Q770 HydrophobicContact CD1-CG 4.06Å; Y768-Q770 HydrophobicContact CE1-CG 3.93Å; Y768-N773 PolarHBondContact OH-OD1 3.3Å; Y768-L775 HydrophobicContact CD2-CD2 3.93Å; Y768-L775 HydrophobicContact CG-CD2 4.5Å
769Y86.7Confident84.8Confident42 Ų4252.6 Ų52.617%0.16527%0.27CS..EExtended strand (participates in β ladder)trans-97.4106.7178.5-73.2-104.2000109.5T767 D771 S772 N773 L774 W776 L830T767-Y769 HydrophobicContact CG2-CD2 4.46Å; T767-Y769 HydrophobicContact CG2-CE2 4.03Å; Y769-D771 VanDerWaalsContact C-N 3.28Å; Y769-D771 PolarHBondContact O-N 2.67Å; Y769-S772 WeakPolarHBondContact CB-OG 3.45Å; Y769-S772 PolarHBondContact O-N 3.35Å; Y769-N773 WeakPolarHBondContact O-CA 3.39Å; Y769-N773 PolarHBondContact O-N 3.28Å; Y769-L774 PolarHBondContact N-O 3.36Å; Y769-W776 HydrophobicContact CD2-CB 4.45Å; Y769-W776 HydrophobicContact CE2-CB 3.83Å; Y769-L830 HydrophobicContact CD1-CD1 4.38Å; Y769-L830 HydrophobicContact CD1-CG 4.36Å; Y769-L830 HydrophobicContact CD2-CD1 3.67Å; Y769-L830 HydrophobicContact CD2-CG 4.39Å; Y769-L830 HydrophobicContact CE1-CD1 4.49Å; Y769-L830 HydrophobicContact CE1-CG 4.2Å; Y769-L830 HydrophobicContact CE2-CD1 3.83Å; Y769-L830 HydrophobicContact CE2-CD2 4.42Å; Y769-L830 HydrophobicContact CE2-CG 4.26Å; Y769-L830 HydrophobicContact CG-CD1 3.97Å; Y769-L830 HydrophobicContact CG-CG 4.45Å
770Q82.7Confident84.3Confident161 Ų16154.4 Ų54.475%0.75228%0.281SS*.THydrogen-bonded Turntrans-62.5-33.2-175.9-66.1-175-18.400113.1Y768 S772Y768-Q770 HydrophobicContact CD1-CG 4.06Å; Y768-Q770 HydrophobicContact CE1-CG 3.93Å; Q770-S772 VanDerWaalsContact C-N 3.35Å; Q770-S772 PolarHBondContact O-N 2.91Å
771D82.3Confident84Confident110 Ų11052.2 Ų52.259%0.58827%0.271SS*.THydrogen-bonded Turntrans-68.5-32-178.6-71.6-6.6000113Y769 T833Y769-D771 VanDerWaalsContact C-N 3.28Å; Y769-D771 PolarHBondContact O-N 2.67Å; D771-T833 PolarHBondContact OD2-OG1 2.9Å; D771-T833 VanDerWaalsContact OD2-OG1 3.14Å
772S84.4Confident83.7Confident26 Ų2657.7 Ų57.718%0.18229%0.289CS..THydrogen-bonded Turntrans-112.9-10.9-17458.10000113.8Y769 Q770 L774 E829 L830Y769-S772 WeakPolarHBondContact CB-OG 3.45Å; Y769-S772 PolarHBondContact O-N 3.35Å; Q770-S772 VanDerWaalsContact C-N 3.35Å; Q770-S772 PolarHBondContact O-N 2.91Å; S772-L774 PolarHBondContact O-N 2.83Å; S772-E829 VanDerWaalsContact CB-O 3.24Å; S772-E829 WeakPolarHBondContact CB-O 3.32Å; S772-L830 WeakPolarHBondContact CB-O 3.41Å; S772-L830 PolarHBondContact OG-O 3.3Å
773N84.9Confident83.7Confident93 Ų9352.3 Ų52.350%0.49726%0.263SS..THydrogen-bonded Turntrans56.929.6-170-59.4-46.9000113.5Y768 Y769Y768-N773 PolarHBondContact OH-OD1 3.3Å; Y769-N773 WeakPolarHBondContact O-CA 3.39Å; Y769-N773 PolarHBondContact O-N 3.28Å
774L88.5Confident83.4Confident27 Ų2753.8 Ų53.814%0.14127%0.273CS..EExtended strand (participates in β ladder)trans-108.7156.1-178.8-63173.8000112.1Y769 S772 H808 P810 E829 L830Y769-L774 PolarHBondContact N-O 3.36Å; S772-L774 PolarHBondContact O-N 2.83Å; L774-H808 CarbonylContact C-O 3.55Å; L774-H808 WeakPolarHBondContact CA-O 3.29Å; L774-H808 WeakPolarHBondContact CD2-O 3.38Å; L774-P810 HydrophobicContact CD1-CB 4.07Å; L774-E829 HydrophobicContact CD1-CG 3.95Å; L774-L830 HydrophobicContact CB-CD1 4.34Å
775L90.6Very high83.2Confident14 Ų1457.3 Ų57.37%0.07329%0.285CS..EExtended strand (participates in β ladder)trans-103.3142.2173.2-63.6171.5000109.5L759 P761 F766 T767 Y768 H808 F809 P810L759-L775 HydrophobicContact CB-CD1 4.13Å; P761-L775 HydrophobicContact CG-CD2 4.06Å; F766-L775 HydrophobicContact CB-CB 4.31Å; F766-L775 HydrophobicContact CB-CD2 4.34Å; T767-L775 WeakPolarHBondContact O-CA 3.43Å; Y768-L775 HydrophobicContact CD2-CD2 3.93Å; Y768-L775 HydrophobicContact CG-CD2 4.5Å; L775-H808 HydrophobicContact CD1-CB 4.25Å; L775-H808 HydrophobicContact CG-CB 4.29Å; L775-H808 PolarHBondContact N-O 3.47Å; L775-F809 HydrophobicContact CB-CD1 4.27Å; L775-F809 HydrophobicContact CB-CE1 4.03Å; L775-F809 WeakPolarHBondContact O-CD1 3.5Å; L775-P810 VanDerWaalsContact O-CD 3.29Å; L775-P810 WeakPolarHBondContact O-CD 3.29Å
776W92.6Very high82.9Confident1 Ų161.9 Ų61.90%0.00431%0.309CS..EExtended strand (participates in β ladder)trans-140.5156168.5-169.8-114.9000110.5F766 T767 Y769 S778 P810 A812 L813 K816 L830 V897 F898 V902F766-W776 CarbonylContact C-O 3.57Å; F766-W776 WeakPolarHBondContact CA-O 3.42Å; T767-W776 PolarHBondContact N-O 2.94Å; T767-W776 PolarHBondContact O-N 3.49Å; Y769-W776 HydrophobicContact CD2-CB 4.45Å; Y769-W776 HydrophobicContact CE2-CB 3.83Å; W776-S778 PolarHBondContact O-N 2.96Å; W776-P810 HydrophobicContact CE3-CG 3.55Å; W776-P810 HydrophobicContact CZ3-CG 3.81Å; W776-A812 HydrophobicContact CH2-CB 4.25Å; W776-A812 HydrophobicContact CZ3-CB 4.25Å; W776-L813 HydrophobicContact CZ3-CB 4.12Å; W776-K816 HydrophobicContact CH2-CD 3.98Å; W776-K816 HydrophobicContact CZ2-CD 4.44Å; W776-L830 HydrophobicContact CB-CD1 3.83Å; W776-L830 HydrophobicContact CB-CD2 4.04Å; W776-L830 HydrophobicContact CD2-CD2 4.26Å; W776-L830 HydrophobicContact CG-CD1 4.44Å; W776-L830 HydrophobicContact CG-CD2 3.84Å; W776-V897 PolarHBondContact NE1-O 3.22Å; W776-F898 HydrophobicContact CD2-CD1 4.49Å; W776-F898 AromaticContact CE2-CD1 3.79Å; W776-F898 AromaticContact CH2-CD1 3.84Å; W776-F898 HydrophobicContact CH2-CD1 3.84Å; W776-F898 HydrophobicContact CH2-CE1 4.4Å; W776-F898 HydrophobicContact CZ2-CB 4.47Å; W776-F898 AromaticContact CZ2-CD1 3.47Å; W776-F898 HydrophobicContact CZ2-CD1 3.47Å; W776-F898 VanDerWaalsContact CZ2-CD1 3.47Å; W776-F898 HydrophobicContact CZ2-CE1 4.22Å; W776-F898 HydrophobicContact CZ2-CG 4.44Å; W776-F898 HydrophobicContact CZ3-CD1 4.48Å; W776-V902 HydrophobicContact CZ2-CG2 3.99Å
777F90.9Very high82.6Confident1 Ų164.6 Ų64.60%0.00432%0.319CS..EExtended strand (participates in β ladder)trans-56.7136177.7-61.2-93.8000110.5F766 F788 L813 V902 W905 Y906 F909F766-F777 HydrophobicContact CD1-CD1 4.31Å; F766-F777 HydrophobicContact CD1-CG 4.46Å; F766-F777 AromaticContact CE1-CD1 3.74Å; F766-F777 HydrophobicContact CE1-CD1 3.74Å; F766-F777 AromaticContact CE1-CE1 3.76Å; F766-F777 HydrophobicContact CE1-CE1 3.76Å; F766-F777 HydrophobicContact CE1-CG 4.24Å; F766-F777 HydrophobicContact CE1-CZ 4.27Å; F766-F777 HydrophobicContact CZ-CE1 4.43Å; F777-F788 AromaticContact CD1-CD1 3.94Å; F777-F788 HydrophobicContact CD1-CD1 3.94Å; F777-F788 AromaticContact CD1-CE1 3.77Å; F777-F788 HydrophobicContact CD1-CE1 3.77Å; F777-F788 AromaticContact CE1-CD1 3.88Å; F777-F788 HydrophobicContact CE1-CD1 3.88Å; F777-F788 HydrophobicContact CE1-CE1 4.18Å; F777-L813 HydrophobicContact CE2-CD1 3.93Å; F777-L813 HydrophobicContact CZ-CD1 4.27Å; F777-V902 HydrophobicContact CB-CB 3.86Å; F777-V902 HydrophobicContact CB-CG1 3.56Å; F777-V902 HydrophobicContact CG-CB 4.43Å; F777-W905 HydrophobicContact CD1-CB 3.94Å; F777-Y906 HydrophobicContact CE2-CD2 4.2Å; F777-Y906 HydrophobicContact CZ-CD2 4.35Å; F777-F909 HydrophobicContact CE1-CB 4Å; F777-F909 HydrophobicContact CE1-CG 4.27Å; F777-F909 HydrophobicContact CZ-CB 4.01Å; F777-F909 HydrophobicContact CZ-CD1 4.11Å; F777-F909 HydrophobicContact CZ-CD2 4.41Å; F777-F909 AromaticContact CZ-CG 3.92Å; F777-F909 HydrophobicContact CZ-CG 3.92Å
778S86.7Confident82.6Confident12 Ų1261.8 Ų61.88%0.08430%0.302CS..  trans-73.5140.9178.3-600000111.6M765 F766 T767 W776 T780M765-S778 PolarHBondContact O-N 3.01Å; F766-S778 WeakPolarHBondContact CA-OG 3.46Å; F766-S778 PolarHBondContact N-OG 3.16Å; T767-S778 PolarHBondContact N-OG 3.04Å; T767-S778 VanDerWaalsContact N-OG 3.14Å; T767-S778 PolarHBondContact OG1-OG 3.35Å; W776-S778 PolarHBondContact O-N 2.96Å; S778-T780 PolarHBondContact O-N 3.39Å
779D78.7Confident82.5Confident45 Ų4558.9 Ų58.924%0.24129%0.292CS..SBendtrans-60.8-33.1178.5-76.1-2.4000112S901D779-S901 WeakPolarHBondContact OD1-CB 3.35Å; D779-S901 PolarHBondContact OD1-OG 3.33Å
780T74.6Confident82.4Confident53 Ų5357.5 Ų57.533%0.32529%0.287SS..SBendtrans-131.4124.4176.754.60000109.4S778 Y864S778-T780 PolarHBondContact O-N 3.39Å; T780-Y864 WeakPolarHBondContact OG1-CE2 3.44Å
781C75.9Confident82.6Confident16 Ų1649.8 Ų49.811%0.10825%0.252CS..  trans-133.1139.4179.6-175.80000109.9V783 F788 W905C781-V783 VanDerWaalsContact SG-CB 3.6Å; C781-V783 PolarHBondContact SG-N 3.34Å; C781-V783 VanDerWaalsContact SG-N 3.38Å; C781-F788 HydrophobicContact CB-CE2 4.49Å; C781-F788 HydrophobicContact CB-CZ 4.34Å; C781-W905 HydrophobicContact CB-CH2 4.41Å; C781-W905 HydrophobicContact CB-CZ2 3.99Å
782F72.3Confident82.9Confident176 Ų17644.6 Ų44.677%0.77222%0.224SC*.  trans-99.20.6177.4-60.9-74.8000113.1Y864F782-Y864 HydrophobicContact CD2-CE2 4.26Å; F782-Y864 HydrophobicContact CE2-CD2 4.1Å; F782-Y864 HydrophobicContact CE2-CE1 4.37Å; F782-Y864 AromaticContact CE2-CE2 3.44Å; F782-Y864 HydrophobicContact CE2-CE2 3.44Å; F782-Y864 VanDerWaalsContact CE2-CE2 3.44Å; F782-Y864 AromaticContact CE2-CZ 3.61Å; F782-Y864 HydrophobicContact CZ-CE2 4.19Å
783V76.9Confident83.1Confident33 Ų3343.5 Ų43.520%0.222%0.216CC..SBendtrans-82.2145.3179.9-174.40000110.2Y763 M765 C781 W787Y763-V783 WeakPolarHBondContact O-CG2 3.25Å; M765-V783 HydrophobicContact CG-CB 4.1Å; M765-V783 HydrophobicContact CG-CG1 4.32Å; M765-V783 HydrophobicContact CG-CG2 3.79Å; M765-V783 HydrophobicContact SD-CG1 4.13Å; C781-V783 VanDerWaalsContact SG-CB 3.6Å; C781-V783 PolarHBondContact SG-N 3.34Å; C781-V783 VanDerWaalsContact SG-N 3.38Å; V783-W787 HydrophobicContact CG1-CB 3.72Å; V783-W787 HydrophobicContact CG1-CD2 3.9Å; V783-W787 HydrophobicContact CG1-CG 3.44Å; V783-W787 VanDerWaalsContact CG1-CG 3.44Å
784E74.2Confident83.2Confident130 Ų13039.2 Ų39.261%0.60719%0.193SC*.  trans-61.9146.9179.2-64.3-177.8175.700112.8N786 W787E784-N786 PolarHBondContact O-N 3.4Å; E784-W787 PolarHBondContact O-N 3.07Å; E784-W787 VanDerWaalsContact O-N 3.09Å
785H73.8Confident83.2Confident93 Ų9337.9 Ų37.943%0.43119%0.186SC..Hα-helixtrans-53.4-31.3-178.7-163.981.1000114.1W787 F788 E904 A908H785-W787 PolarHBondContact O-N 3.2Å; H785-F788 PolarHBondContact O-N 3.4Å; H785-E904 PolarHBondContact CE1-O 2.99Å; H785-E904 VanDerWaalsContact CE1-O 3.3Å; H785-A908 WeakPolarHBondContact NE2-CB 3.35Å
786N78.9Confident83Confident97 Ų9737.2 Ų37.252%0.51918%0.183SC..Hα-helixtrans-62.7-28.9-178.5-68.8-19.3000113.2E784 H789 L790E784-N786 PolarHBondContact O-N 3.4Å; N786-H789 PolarHBondContact O-N 2.71Å; N786-L790 HydrophobicContact CB-CD1 4.44Å; N786-L790 WeakPolarHBondContact O-CB 3.34Å; N786-L790 VanDerWaalsContact O-CD1 3.31Å; N786-L790 WeakPolarHBondContact O-CD1 3.23Å; N786-L790 VanDerWaalsContact O-CG 3.25Å; N786-L790 WeakPolarHBondContact O-CG 3.27Å; N786-L790 PolarHBondContact O-N 3.48Å
787W83.3Confident82.7Confident60 Ų6037.2 Ų37.223%0.22718%0.183CC..Hα-helixtrans-66.6-44.2-178.4-75.672.8000112V712 L716 L758 M765 V783 E784 H785 H789 L790 I791V712-W787 HydrophobicContact CG1-CE3 4.45Å; V712-W787 HydrophobicContact CG1-CH2 3.41Å; V712-W787 VanDerWaalsContact CG1-CH2 3.41Å; V712-W787 HydrophobicContact CG1-CZ3 3.37Å; L716-W787 HydrophobicContact CD1-CD2 4.04Å; L716-W787 HydrophobicContact CD1-CE3 4.12Å; L716-W787 HydrophobicContact CD1-CH2 3.55Å; L716-W787 HydrophobicContact CD1-CZ2 3.43Å; L716-W787 VanDerWaalsContact CD1-CZ2 3.43Å; L716-W787 HydrophobicContact CD1-CZ3 3.9Å; L716-W787 HydrophobicContact CD2-CD2 4.42Å; L716-W787 HydrophobicContact CD2-CE3 4.44Å; L758-W787 HydrophobicContact CD2-CE3 3.85Å; L758-W787 HydrophobicContact CD2-CZ3 3.77Å; M765-W787 HydrophobicContact CE-CB 3.65Å; M765-W787 HydrophobicContact SD-CB 4.15Å; M765-W787 HydrophobicContact SD-CE3 4.29Å; V783-W787 HydrophobicContact CG1-CB 3.72Å; V783-W787 HydrophobicContact CG1-CD2 3.9Å; V783-W787 HydrophobicContact CG1-CG 3.44Å; V783-W787 VanDerWaalsContact CG1-CG 3.44Å; E784-W787 PolarHBondContact O-N 3.07Å; E784-W787 VanDerWaalsContact O-N 3.09Å; H785-W787 PolarHBondContact O-N 3.2Å; W787-H789 VanDerWaalsContact C-N 3.32Å; W787-H789 PolarHBondContact O-N 2.96Å; W787-L790 PolarHBondContact O-N 3.18Å; W787-I791 VanDerWaalsContact O-CG1 3.31Å; W787-I791 WeakPolarHBondContact O-CG1 3.31Å; W787-I791 PolarHBondContact O-N 3.28Å
788F87.2Confident82.5Confident0 Ų037.2 Ų37.20%018%0.183CC..Hα-helixtrans-63.1-40.4175.9-68.4-77000111.7M765 F766 F777 C781 H785 L790 I791 G792 W905 A908 F909M765-F788 HydrophobicContact CB-CE1 3.95Å; M765-F788 HydrophobicContact CB-CZ 3.92Å; M765-F788 HydrophobicContact CE-CD1 3.58Å; M765-F788 HydrophobicContact CE-CD2 3.97Å; M765-F788 HydrophobicContact CE-CE1 3.55Å; M765-F788 HydrophobicContact CE-CE2 3.95Å; M765-F788 HydrophobicContact CE-CG 3.8Å; M765-F788 HydrophobicContact CE-CZ 3.76Å; M765-F788 HydrophobicContact CG-CE1 4.48Å; M765-F788 HydrophobicContact CG-CZ 4.15Å; F766-F788 HydrophobicContact CE1-CE1 4.42Å; F766-F788 HydrophobicContact CZ-CD1 4.43Å; F766-F788 HydrophobicContact CZ-CE1 4.3Å; F777-F788 AromaticContact CD1-CD1 3.94Å; F777-F788 HydrophobicContact CD1-CD1 3.94Å; F777-F788 AromaticContact CD1-CE1 3.77Å; F777-F788 HydrophobicContact CD1-CE1 3.77Å; F777-F788 AromaticContact CE1-CD1 3.88Å; F777-F788 HydrophobicContact CE1-CD1 3.88Å; F777-F788 HydrophobicContact CE1-CE1 4.18Å; C781-F788 HydrophobicContact CB-CE2 4.49Å; C781-F788 HydrophobicContact CB-CZ 4.34Å; H785-F788 PolarHBondContact O-N 3.4Å; F788-L790 VanDerWaalsContact C-N 3.32Å; F788-L790 PolarHBondContact O-N 3.49Å; F788-I791 PolarHBondContact O-N 2.81Å; F788-G792 PolarHBondContact O-N 2.99Å; F788-W905 HydrophobicContact CD1-CB 4.21Å; F788-W905 HydrophobicContact CD2-CB 4.28Å; F788-W905 HydrophobicContact CD2-CD2 4.37Å; F788-W905 AromaticContact CD2-CE3 3.69Å; F788-W905 HydrophobicContact CD2-CE3 3.69Å; F788-W905 HydrophobicContact CD2-CZ3 4.44Å; F788-W905 HydrophobicContact CE1-CB 4.11Å; F788-W905 HydrophobicContact CE2-CB 4.17Å; F788-W905 AromaticContact CE2-CD2 3.85Å; F788-W905 HydrophobicContact CE2-CD2 3.85Å; F788-W905 AromaticContact CE2-CE3 3.44Å; F788-W905 HydrophobicContact CE2-CE3 3.44Å; F788-W905 VanDerWaalsContact CE2-CE3 3.44Å; F788-W905 HydrophobicContact CE2-CG 4.16Å; F788-W905 HydrophobicContact CE2-CZ3 4.1Å; F788-W905 HydrophobicContact CG-CB 4.29Å; F788-W905 HydrophobicContact CZ-CB 4.07Å; F788-W905 HydrophobicContact CZ-CD2 4.25Å; F788-W905 HydrophobicContact CZ-CE3 4.28Å; F788-W905 HydrophobicContact CZ-CG 4.16Å; F788-A908 HydrophobicContact CB-CB 3.69Å; F788-F909 HydrophobicContact CB-CB 4.48Å; F788-F909 VanDerWaalsContact O-CA 3.3Å; F788-F909 WeakPolarHBondContact O-CA 3.42Å
789H86.9Confident82.3Confident46 Ų4637.3 Ų37.321%0.21318%0.182CC..Hα-helixtrans-60.1-42.7174.5-171.475.1000112.1N786 W787 G792 I793 A908 S911 G912N786-H789 PolarHBondContact O-N 2.71Å; W787-H789 VanDerWaalsContact C-N 3.32Å; W787-H789 PolarHBondContact O-N 2.96Å; H789-G792 WeakPolarHBondContact O-CA 3.49Å; H789-G792 PolarHBondContact O-N 3.16Å; H789-I793 PolarHBondContact O-N 2.96Å; H789-A908 WeakPolarHBondContact CA-O 3.49Å; H789-A908 PolarHBondContact ND1-O 3.09Å; H789-S911 PolarHBondContact ND1-OG 3.24Å; H789-G912 WeakPolarHBondContact CE1-CA 3.26Å; H789-G912 PolarHBondContact CE1-N 2.99Å; H789-G912 WeakPolarHBondContact ND1-CA 3.4Å; H789-G912 PolarHBondContact ND1-N 3.02Å; H789-G912 WeakPolarHBondContact O-CA 3.35Å
790L83.6Confident82.4Confident13 Ų1335.8 Ų35.87%0.06817%0.173CC..Hα-helixtrans-70.5-40.2-179.5-72.4158.7000112.3L716 L719 N786 W787 F788 G792 I793 T794L716-L790 HydrophobicContact CB-CD1 4.1Å; L716-L790 HydrophobicContact CD2-CB 3.66Å; L716-L790 HydrophobicContact CD2-CD1 3.21Å; L716-L790 HydrophobicContact CD2-CG 3.94Å; L716-L790 HydrophobicContact CG-CD1 4.2Å; L719-L790 HydrophobicContact CB-CD2 3.66Å; L719-L790 HydrophobicContact CD1-CD2 4.5Å; N786-L790 HydrophobicContact CB-CD1 4.44Å; N786-L790 WeakPolarHBondContact O-CB 3.34Å; N786-L790 VanDerWaalsContact O-CD1 3.31Å; N786-L790 WeakPolarHBondContact O-CD1 3.23Å; N786-L790 VanDerWaalsContact O-CG 3.25Å; N786-L790 WeakPolarHBondContact O-CG 3.27Å; N786-L790 PolarHBondContact O-N 3.48Å; W787-L790 PolarHBondContact O-N 3.18Å; F788-L790 VanDerWaalsContact C-N 3.32Å; F788-L790 PolarHBondContact O-N 3.49Å; L790-G792 PolarHBondContact O-N 3.42Å; L790-I793 HydrophobicContact CD2-CD1 4.28Å; L790-I793 PolarHBondContact O-N 3.32Å; L790-I793 VanDerWaalsContact O-N 3.11Å; L790-T794 PolarHBondContact O-N 2.81Å; L790-T794 PolarHBondContact O-OG1 2.95Å
791I87.8Confident82.7Confident0 Ų035.2 Ų35.20%017%0.168CC..Hα-helixtrans-57.4-42170.3-63168.6000110L755 L758 L759 M765 F766 W787 F788 T794 C795 F909L755-I791 HydrophobicContact CD2-CG2 4.42Å; L758-I791 HydrophobicContact CB-CD1 4.29Å; L758-I791 HydrophobicContact CB-CG1 4.11Å; L758-I791 HydrophobicContact CD1-CG1 3.91Å; L758-I791 HydrophobicContact CD2-CG1 4.43Å; L758-I791 HydrophobicContact CG-CG1 4.38Å; L759-I791 HydrophobicContact CD2-CG2 4.49Å; M765-I791 HydrophobicContact CE-CD1 3.34Å; M765-I791 HydrophobicContact SD-CD1 4.11Å; F766-I791 HydrophobicContact CE2-CD1 3.84Å; F766-I791 HydrophobicContact CZ-CD1 3.99Å; W787-I791 VanDerWaalsContact O-CG1 3.31Å; W787-I791 WeakPolarHBondContact O-CG1 3.31Å; W787-I791 PolarHBondContact O-N 3.28Å; F788-I791 PolarHBondContact O-N 2.81Å; I791-T794 PolarHBondContact O-N 3.07Å; I791-C795 WeakPolarHBondContact O-CB 3.31Å; I791-C795 PolarHBondContact O-N 2.86Å; I791-C795 PolarHBondContact O-SG 3.24Å; I791-C795 VanDerWaalsContact O-SG 3.35Å; I791-F909 HydrophobicContact CB-CD2 4.35Å; I791-F909 HydrophobicContact CG2-CD2 4.09Å; I791-F909 HydrophobicContact CG2-CE2 3.87Å
792G88.4Confident82.8Confident0 Ų037.7 Ų37.70%019%0.186CC..Hα-helixtrans-55.9-50.1173.300000112.6F788 H789 L790 C795 G796 F909 G912 F913F788-G792 PolarHBondContact O-N 2.99Å; H789-G792 WeakPolarHBondContact O-CA 3.49Å; H789-G792 PolarHBondContact O-N 3.16Å; L790-G792 PolarHBondContact O-N 3.42Å; G792-C795 WeakPolarHBondContact O-CB 3.24Å; G792-C795 PolarHBondContact O-N 3.14Å; G792-G796 PolarHBondContact O-N 3.44Å; G792-F909 WeakPolarHBondContact CA-O 3.14Å; G792-G912 VanDerWaalsContact C-C 3.49Å; G792-F913 VanDerWaalsContact O-CA 3.24Å; G792-F913 WeakPolarHBondContact O-CA 3.47Å; G792-F913 PolarHBondContact O-N 3.46Å
793I88.4Confident83Confident4 Ų430.2 Ų30.22%0.02116%0.155CC..Hα-helixtrans-59.6-46.9177-69.9171.8000110.9L719 L727 H789 L790 C795 G796 L797 G912 V916L719-I793 HydrophobicContact CD1-CG2 4.39Å; L719-I793 HydrophobicContact CD2-CG2 4.19Å; L727-I793 HydrophobicContact CD1-CD1 4.2Å; L727-I793 HydrophobicContact CD1-CG2 4.26Å; L727-I793 HydrophobicContact CD2-CG2 4.24Å; H789-I793 PolarHBondContact O-N 2.96Å; L790-I793 HydrophobicContact CD2-CD1 4.28Å; L790-I793 PolarHBondContact O-N 3.32Å; L790-I793 VanDerWaalsContact O-N 3.11Å; I793-C795 PolarHBondContact O-N 3.35Å; I793-G796 PolarHBondContact O-N 2.91Å; I793-L797 HydrophobicContact CG2-CD1 3.83Å; I793-L797 HydrophobicContact CG2-CG 4.27Å; I793-L797 WeakPolarHBondContact O-CB 3.05Å; I793-L797 WeakPolarHBondContact O-CG 3.36Å; I793-L797 PolarHBondContact O-N 3.27Å; I793-G912 WeakPolarHBondContact CG1-O 3.33Å; I793-V916 HydrophobicContact CB-CG2 4.45Å; I793-V916 HydrophobicContact CG2-CG2 3.97Å
794T87.9Confident83Confident2 Ų230.5 Ų30.51%0.01216%0.156CC..Hα-helixtrans-60.6-45.2179.4-56.10000111.3F751 L754 L755 L790 I791 G796 L797 A798F751-T794 HydrophobicContact CD1-CG2 3.78Å; F751-T794 HydrophobicContact CE1-CG2 4.04Å; L754-T794 HydrophobicContact CD2-CG2 3.71Å; L754-T794 HydrophobicContact CG-CG2 4.37Å; L755-T794 HydrophobicContact CD1-CG2 4.06Å; L755-T794 HydrophobicContact CD2-CG2 3.8Å; L755-T794 HydrophobicContact CG-CG2 3.85Å; L790-T794 PolarHBondContact O-N 2.81Å; L790-T794 PolarHBondContact O-OG1 2.95Å; I791-T794 PolarHBondContact O-N 3.07Å; T794-G796 PolarHBondContact O-N 2.71Å; T794-L797 PolarHBondContact O-N 3.07Å; T794-A798 PolarHBondContact O-N 3.27Å
795C87.8Confident83Confident0 Ų024.6 Ų24.60%013%0.129CC..Hα-helixtrans-59.8-42.8173.8-79.20000112.4I791 G792 I793 A798 I799 F913 M934I791-C795 WeakPolarHBondContact O-CB 3.31Å; I791-C795 PolarHBondContact O-N 2.86Å; I791-C795 PolarHBondContact O-SG 3.24Å; I791-C795 VanDerWaalsContact O-SG 3.35Å; G792-C795 WeakPolarHBondContact O-CB 3.24Å; G792-C795 PolarHBondContact O-N 3.14Å; I793-C795 PolarHBondContact O-N 3.35Å; C795-A798 PolarHBondContact O-N 2.96Å; C795-I799 PolarHBondContact O-N 2.79Å; C795-F913 HydrophobicContact CB-CD2 3.93Å; C795-F913 HydrophobicContact CB-CE2 4.31Å; C795-M934 HydrophobicContact CB-CE 3.44Å; C795-M934 VanDerWaalsContact CB-CE 3.44Å
796G86.6Confident83Confident0 Ų022.2 Ų22.20%012%0.12CC..Hα-helixtrans-64.9-43.917600000112.6G792 I793 T794 A798 I799 Y800G792-G796 PolarHBondContact O-N 3.44Å; I793-G796 PolarHBondContact O-N 2.91Å; T794-G796 PolarHBondContact O-N 2.71Å; G796-A798 VanDerWaalsContact C-N 3.34Å; G796-A798 PolarHBondContact O-N 2.97Å; G796-I799 PolarHBondContact O-N 2.88Å; G796-Y800 WeakPolarHBondContact O-CB 2.97Å; G796-Y800 PolarHBondContact O-N 3.18Å
797L86.6Confident83.1Confident1 Ų117.9 Ų17.91%0.00510%0.096CC..Hα-helixtrans-63.8-37.9177-75.3170.7000112.1L702 L719 L727 F751 I793 T794 Y800 N801 V916L702-L797 HydrophobicContact CD2-CD2 4.09Å; L719-L797 HydrophobicContact CD2-CD1 3.7Å; L727-L797 WeakPolarHBondContact O-CD2 3.22Å; F751-L797 HydrophobicContact CE1-CB 3.85Å; F751-L797 HydrophobicContact CZ-CB 3.74Å; I793-L797 HydrophobicContact CG2-CD1 3.83Å; I793-L797 HydrophobicContact CG2-CG 4.27Å; I793-L797 WeakPolarHBondContact O-CB 3.05Å; I793-L797 WeakPolarHBondContact O-CG 3.36Å; I793-L797 PolarHBondContact O-N 3.27Å; T794-L797 PolarHBondContact O-N 3.07Å; L797-Y800 PolarHBondContact O-N 2.89Å; L797-N801 WeakPolarHBondContact O-CB 3.13Å; L797-N801 PolarHBondContact O-N 3.43Å; L797-N801 PolarHBondContact O-ND2 3.47Å; L797-V916 HydrophobicContact CD2-CG1 3.71Å; L797-V916 HydrophobicContact CD2-CG2 4.44Å; L797-V916 HydrophobicContact CG-CG1 3.96Å; L797-V916 HydrophobicContact CG-CG2 4.21Å
798A85.2Confident83.1Confident1 Ų118.9 Ų18.91%0.00810%0.103CC..Hα-helixtrans-59.9-47.6176.600000111.4F751 T794 C795 G796 Y800 N801 S802 T803 V805F751-A798 HydrophobicContact CD1-CB 4.03Å; F751-A798 HydrophobicContact CD2-CB 4.38Å; F751-A798 HydrophobicContact CE1-CB 4.19Å; F751-A798 HydrophobicContact CG-CB 4.15Å; F751-A798 HydrophobicContact CZ-CB 4.43Å; T794-A798 PolarHBondContact O-N 3.27Å; C795-A798 PolarHBondContact O-N 2.96Å; G796-A798 VanDerWaalsContact C-N 3.34Å; G796-A798 PolarHBondContact O-N 2.97Å; A798-Y800 PolarHBondContact O-N 3.46Å; A798-N801 CarbonylContact O-C 3.6Å; A798-N801 PolarHBondContact O-N 3.13Å; A798-S802 PolarHBondContact O-N 3.11Å; A798-T803 PolarHBondContact O-N 3.5Å; A798-V805 HydrophobicContact CB-CG2 3.71Å
799I82.7Confident83.2Confident14 Ų1419.1 Ų19.17%0.07210%0.104CC..Hα-helixtrans-62.5-45.2176.4-64.2173.4000110.9L666 C795 G796 N801 S802 F913 M933 M934L666-I799 HydrophobicContact CD2-CG2 3.46Å; L666-I799 VanDerWaalsContact CD2-CG2 3.46Å; C795-I799 PolarHBondContact O-N 2.79Å; G796-I799 PolarHBondContact O-N 2.88Å; I799-N801 PolarHBondContact O-N 3.35Å; I799-S802 PolarHBondContact O-N 3.22Å; I799-F913 HydrophobicContact CD1-CE2 3.54Å; I799-F913 HydrophobicContact CD1-CZ 3.52Å; I799-M933 HydrophobicContact CG2-CE 4.1Å; I799-M933 HydrophobicContact CG2-SD 4.3Å; I799-M934 HydrophobicContact CD1-CB 4.46Å; I799-M934 HydrophobicContact CD1-CE 4.04Å; I799-M934 HydrophobicContact CD1-CG 4.06Å; I799-M934 HydrophobicContact CD1-SD 3.93Å; I799-M934 HydrophobicContact CG1-CE 4.32Å; I799-M934 HydrophobicContact CG1-CG 4.09Å; I799-M934 HydrophobicContact CG1-SD 4.5Å
800Y81.6Confident83.4Confident12 Ų1216.9 Ų16.95%0.0479%0.094CC..Hα-helixtrans-64.3-28.3-177.1-146.1-112.9000113.3A670 Q673 M674 K728 G796 L797 A798 V916A670-Y800 HydrophobicContact CB-CD1 4.18Å; A670-Y800 HydrophobicContact CB-CD2 3.57Å; A670-Y800 HydrophobicContact CB-CE1 4.15Å; A670-Y800 HydrophobicContact CB-CE2 3.56Å; A670-Y800 HydrophobicContact CB-CG 3.91Å; Q673-Y800 WeakPolarHBondContact CB-OH 3.32Å; M674-Y800 HydrophobicContact CE-CD1 3.3Å; M674-Y800 HydrophobicContact CE-CE1 3.68Å; M674-Y800 HydrophobicContact CE-CG 4.26Å; M674-Y800 WeakPolarHBondContact CE-O 3.34Å; M674-Y800 HydrophobicContact CG-CD1 4.31Å; M674-Y800 HydrophobicContact CG-CE1 3.69Å; K728-Y800 HydrophobicContact CB-CE1 4.39Å; G796-Y800 WeakPolarHBondContact O-CB 2.97Å; G796-Y800 PolarHBondContact O-N 3.18Å; L797-Y800 PolarHBondContact O-N 2.89Å; A798-Y800 PolarHBondContact O-N 3.46Å; Y800-V916 HydrophobicContact CG-CG1 4.31Å
801N80.2Confident83.8Confident41 Ų4117.7 Ų17.722%0.21910%0.098CC..THydrogen-bonded Turntrans-97.519174.1-66.8-83.2000112.5L797 A798 I799 T803L797-N801 WeakPolarHBondContact O-CB 3.13Å; L797-N801 PolarHBondContact O-N 3.43Å; L797-N801 PolarHBondContact O-ND2 3.47Å; A798-N801 CarbonylContact O-C 3.6Å; A798-N801 PolarHBondContact O-N 3.13Å; I799-N801 PolarHBondContact O-N 3.35Å; N801-T803 PolarHBondContact O-N 3.35Å; N801-T803 VanDerWaalsContact O-N 3.12Å; N801-T803 PolarHBondContact O-OG1 3.46Å
802S78.6Confident84Confident68 Ų6817.7 Ų17.748%0.47610%0.098SC..THydrogen-bonded Turntrans52.733.2178.4-610000114.7Q667 A798 I799Q667-S802 WeakPolarHBondContact CG-OG 3.21Å; Q667-S802 PolarHBondContact NE2-OG 3.45Å; A798-S802 PolarHBondContact O-N 3.11Å; I799-S802 PolarHBondContact O-N 3.22Å
803T77.6Confident84.2Confident20 Ų2017.8 Ų17.812%0.12310%0.099CC..  trans-98119.7178.7-58.60000110K748 F751 A798 N801 V805K748-T803 HydrophobicContact CG-CG2 4.19Å; F751-T803 HydrophobicContact CB-CG2 4.38Å; F751-T803 HydrophobicContact CD2-CG2 4.04Å; A798-T803 PolarHBondContact O-N 3.5Å; N801-T803 PolarHBondContact O-N 3.35Å; N801-T803 VanDerWaalsContact O-N 3.12Å; N801-T803 PolarHBondContact O-OG1 3.46Å; T803-V805 HydrophobicContact CG2-CG2 4.41Å
804V75Confident84.4Confident39 Ų3917.6 Ų17.624%0.23610%0.098CC..  trans-74.5131173.5-178.30000109V935 P991V804-V935 WeakPolarHBondContact CG1-O 3.38Å; V804-P991 HydrophobicContact CG2-CB 4.38Å
805V75.5Confident84.6Confident5 Ų519.4 Ų19.43%0.0311%0.105CC..  trans-127.8132.2178.8-177.20000109.3F751 L755 A798 T803 L807 M934 V935F751-V805 HydrophobicContact CB-CG2 4.43Å; L755-V805 HydrophobicContact CB-CG1 4.18Å; L755-V805 HydrophobicContact CD1-CB 4.16Å; L755-V805 HydrophobicContact CD1-CG1 3.44Å; L755-V805 VanDerWaalsContact CD1-CG1 3.44Å; L755-V805 HydrophobicContact CD1-CG2 3.87Å; L755-V805 HydrophobicContact CG-CG1 4.42Å; A798-V805 HydrophobicContact CB-CG2 3.71Å; T803-V805 HydrophobicContact CG2-CG2 4.41Å; V805-L807 HydrophobicContact CG1-CD2 4.02Å; V805-L807 HydrophobicContact CG1-CG 4.18Å; V805-L807 PolarHBondContact O-N 2.95Å; V805-M934 PolarHBondContact N-O 3.07Å; V805-V935 WeakPolarHBondContact O-CA 3.32Å
806D72.9Confident84.8Confident44 Ų4419.9 Ų19.924%0.23511%0.107CC..  trans-75.194.7176.2-170.119.5000112.1H808D806-H808 VanDerWaalsContact CG-CE1 3.48Å; D806-H808 IonicContact OD1-CE1 3.1Å; D806-H808 IonicContact OD2-CE1 2.73Å; D806-H808 PolarHBondContact OD2-CE1 3.19Å; D806-H808 IonicContact OD2-NE2 2.97Å
807L81.4Confident85Confident5 Ų520.3 Ų20.33%0.02611%0.11CC..  trans-104.7118.1177.5-66.6-174.7000111.2L759 V805 F809 M934 V935L759-L807 HydrophobicContact CD1-CD2 3.38Å; V805-L807 HydrophobicContact CG1-CD2 4.02Å; V805-L807 HydrophobicContact CG1-CG 4.18Å; V805-L807 PolarHBondContact O-N 2.95Å; L807-F809 HydrophobicContact CB-CD2 4.08Å; L807-F809 HydrophobicContact CD1-CD2 4.46Å; L807-F809 HydrophobicContact CD2-CE2 4.45Å; L807-F809 PolarHBondContact O-N 2.94Å; L807-M934 HydrophobicContact CD1-CE 3.16Å; L807-M934 HydrophobicContact CD1-CG 4.1Å; L807-M934 HydrophobicContact CD1-SD 3.5Å; L807-M934 VanDerWaalsContact CD1-SD 3.5Å; L807-M934 HydrophobicContact CG-CE 4.41Å; L807-V935 HydrophobicContact CB-CG2 4.18Å
808H83.2Confident85.1Confident82 Ų8221.6 Ų21.638%0.3812%0.116SC..  trans-84.641.5-177.4-65.178.5000112.7L774 L775 D806L774-H808 CarbonylContact C-O 3.55Å; L774-H808 WeakPolarHBondContact CA-O 3.29Å; L774-H808 WeakPolarHBondContact CD2-O 3.38Å; L775-H808 HydrophobicContact CD1-CB 4.25Å; L775-H808 HydrophobicContact CG-CB 4.29Å; L775-H808 PolarHBondContact N-O 3.47Å; D806-H808 VanDerWaalsContact CG-CE1 3.48Å; D806-H808 IonicContact OD1-CE1 3.1Å; D806-H808 IonicContact OD2-CE1 2.73Å; D806-H808 PolarHBondContact OD2-CE1 3.19Å; D806-H808 IonicContact OD2-NE2 2.97Å
809F89.9Confident85.3Confident4 Ų428.9 Ų28.92%0.01816%0.155CC..  trans-97.9147.4179-71.3-69000112.3L759 F766 L775 L807 L813L759-F809 HydrophobicContact CD2-CE2 3.91Å; L759-F809 HydrophobicContact CD2-CZ 3.77Å; F766-F809 AromaticContact CD1-CE1 3.61Å; F766-F809 HydrophobicContact CD1-CE1 3.61Å; F766-F809 AromaticContact CD1-CZ 3.78Å; F766-F809 HydrophobicContact CD1-CZ 3.78Å; F766-F809 AromaticContact CE1-CE1 3.63Å; F766-F809 HydrophobicContact CE1-CE1 3.63Å; F766-F809 AromaticContact CE1-CZ 3.46Å; F766-F809 HydrophobicContact CE1-CZ 3.46Å; F766-F809 VanDerWaalsContact CE1-CZ 3.46Å; F766-F809 HydrophobicContact CG-CE1 4.44Å; F766-F809 HydrophobicContact CG-CZ 4.44Å; F766-F809 HydrophobicContact CZ-CE1 4.49Å; F766-F809 AromaticContact CZ-CZ 3.88Å; F766-F809 HydrophobicContact CZ-CZ 3.88Å; L775-F809 HydrophobicContact CB-CD1 4.27Å; L775-F809 HydrophobicContact CB-CE1 4.03Å; L775-F809 WeakPolarHBondContact O-CD1 3.5Å; L807-F809 HydrophobicContact CB-CD2 4.08Å; L807-F809 HydrophobicContact CD1-CD2 4.46Å; L807-F809 HydrophobicContact CD2-CE2 4.45Å; L807-F809 PolarHBondContact O-N 2.94Å; F809-L813 HydrophobicContact CB-CB 4.09Å; F809-L813 HydrophobicContact CB-CD2 3.57Å; F809-L813 HydrophobicContact CB-CG 4.48Å; F809-L813 HydrophobicContact CD1-CD2 4.15Å; F809-L813 HydrophobicContact CD2-CD2 3.5Å; F809-L813 HydrophobicContact CE2-CD2 4.23Å; F809-L813 HydrophobicContact CG-CD2 3.48Å; F809-L813 VanDerWaalsContact CG-CD2 3.48Å
810P91.6Very high85.6Confident0 Ų031.2 Ų31.20%017%0.17CC..  trans-66.3164.4174.329.9-37.4000112.1L774 L775 W776 A812 L813 L830L774-P810 HydrophobicContact CD1-CB 4.07Å; L775-P810 VanDerWaalsContact O-CD 3.29Å; L775-P810 WeakPolarHBondContact O-CD 3.29Å; W776-P810 HydrophobicContact CE3-CG 3.55Å; W776-P810 HydrophobicContact CZ3-CG 3.81Å; P810-A812 HydrophobicContact CB-CB 4.37Å; P810-A812 HydrophobicContact CG-CB 4.15Å; P810-A812 PolarHBondContact O-N 2.97Å; P810-L813 PolarHBondContact O-N 2.89Å; P810-L813 VanDerWaalsContact O-N 3.09Å; P810-L830 HydrophobicContact CB-CB 4.43Å; P810-L830 HydrophobicContact CG-CD1 4.21Å
811L90.7Very high86Confident30 Ų3039.9 Ų39.916%0.15721%0.208CC..Hα-helixtrans-56.2-26.4175.1-169.564.6000112.5L813 Y814 K815 E829 P927 R931L811-L813 PolarHBondContact O-N 3.35Å; L811-Y814 PolarHBondContact O-N 3.1Å; L811-K815 PolarHBondContact O-N 3.4Å; L811-E829 WeakPolarHBondContact CB-OE2 3.45Å; L811-E829 PolarHBondContact N-OE2 3.23Å; L811-P927 HydrophobicContact CD1-CB 3.91Å; L811-P927 HydrophobicContact CG-CB 4.28Å; L811-R931 HydrophobicContact CD1-CB 4.48Å
812A93.1Very high86.6Confident0 Ų039.1 Ų39.10%021%0.205CC..Hα-helixtrans-51.6-38.417500000113.5W776 P810 K815 K816 P822 D826 F898W776-A812 HydrophobicContact CH2-CB 4.25Å; W776-A812 HydrophobicContact CZ3-CB 4.25Å; P810-A812 HydrophobicContact CB-CB 4.37Å; P810-A812 HydrophobicContact CG-CB 4.15Å; P810-A812 PolarHBondContact O-N 2.97Å; A812-K815 PolarHBondContact O-N 3.27Å; A812-K816 VanDerWaalsContact O-CG 3.31Å; A812-K816 WeakPolarHBondContact O-CG 3.29Å; A812-K816 PolarHBondContact O-N 3.43Å; A812-P822 HydrophobicContact CB-CB 4.17Å; A812-P822 HydrophobicContact CB-CG 4.14Å; A812-D826 HydrophobicContact CB-CB 4.1Å; A812-F898 HydrophobicContact CB-CD1 3.6Å; A812-F898 HydrophobicContact CB-CE1 3.35Å; A812-F898 HydrophobicContact CB-CG 4.35Å; A812-F898 HydrophobicContact CB-CZ 3.92Å
813L92.8Very high87.2Confident1 Ų137.3 Ų37.31%0.00520%0.197CC..Hα-helixtrans-61.1-50.2179.4178.262.4000110.9W776 F777 F809 P810 L811 K815 K816 L817 Y906 F909W776-L813 HydrophobicContact CZ3-CB 4.12Å; F777-L813 HydrophobicContact CE2-CD1 3.93Å; F777-L813 HydrophobicContact CZ-CD1 4.27Å; F809-L813 HydrophobicContact CB-CB 4.09Å; F809-L813 HydrophobicContact CB-CD2 3.57Å; F809-L813 HydrophobicContact CB-CG 4.48Å; F809-L813 HydrophobicContact CD1-CD2 4.15Å; F809-L813 HydrophobicContact CD2-CD2 3.5Å; F809-L813 HydrophobicContact CE2-CD2 4.23Å; F809-L813 HydrophobicContact CG-CD2 3.48Å; F809-L813 VanDerWaalsContact CG-CD2 3.48Å; P810-L813 PolarHBondContact O-N 2.89Å; P810-L813 VanDerWaalsContact O-N 3.09Å; L811-L813 PolarHBondContact O-N 3.35Å; L813-K815 VanDerWaalsContact C-N 3.34Å; L813-K816 PolarHBondContact O-N 2.83Å; L813-L817 HydrophobicContact CG-CD1 4.42Å; L813-L817 PolarHBondContact O-N 2.89Å; L813-Y906 HydrophobicContact CD1-CD2 4.35Å; L813-Y906 HydrophobicContact CD1-CE2 4.09Å; L813-F909 HydrophobicContact CD1-CD1 4.21Å; L813-F909 HydrophobicContact CD1-CE1 3.78Å; L813-F909 HydrophobicContact CD1-CZ 4.49Å; L813-F909 HydrophobicContact CD2-CE1 4.31Å; L813-F909 HydrophobicContact CD2-CZ 4.28Å; L813-F909 HydrophobicContact CG-CE1 4.43Å
814Y91.6Very high87.8Confident0 Ų037.4 Ų37.40%020%0.197CC..Hα-helixtrans-68.5-34.7-177.8-54.9-79.8000111.8L811 L817 L818 P927 L930 R931 M934 V935L811-Y814 PolarHBondContact O-N 3.1Å; Y814-L817 PolarHBondContact O-N 3.4Å; Y814-L818 WeakPolarHBondContact O-CG 3.37Å; Y814-L818 PolarHBondContact O-N 2.91Å; Y814-L818 VanDerWaalsContact O-N 3.17Å; Y814-P927 WeakPolarHBondContact CB-O 3.3Å; Y814-L930 HydrophobicContact CD1-CB 4.44Å; Y814-L930 HydrophobicContact CD1-CD2 4.1Å; Y814-L930 HydrophobicContact CD1-CG 3.88Å; Y814-R931 HydrophobicContact CD1-CB 4.16Å; Y814-R931 HydrophobicContact CD2-CB 3.67Å; Y814-R931 HydrophobicContact CD2-CG 3.94Å; Y814-R931 HydrophobicContact CE1-CB 4.15Å; Y814-R931 HydrophobicContact CE1-CG 4.46Å; Y814-R931 HydrophobicContact CE2-CB 3.68Å; Y814-R931 HydrophobicContact CE2-CG 3.47Å; Y814-R931 VanDerWaalsContact CE2-CG 3.47Å; Y814-R931 HydrophobicContact CG-CB 3.9Å; Y814-M934 HydrophobicContact CE1-CB 4.29Å; Y814-M934 HydrophobicContact CE1-SD 3.82Å; Y814-V935 VanDerWaalsContact OH-CG2 3.27Å; Y814-V935 WeakPolarHBondContact OH-CG2 3.49Å
815K92Very high88.6Confident40 Ų4041.3 Ų41.317%0.17421%0.213CC..Hα-helixtrans-57.7-50.9169.3-79.3-180177.1174.40111L811 A812 L813 L817 L818 N819 V820 D826 P927L811-K815 PolarHBondContact O-N 3.4Å; A812-K815 PolarHBondContact O-N 3.27Å; L813-K815 VanDerWaalsContact C-N 3.34Å; K815-L817 PolarHBondContact O-N 3.41Å; K815-L818 CarbonylContact O-C 3.3Å; K815-L818 PolarHBondContact O-N 3.43Å; K815-L818 VanDerWaalsContact O-N 3.14Å; K815-N819 PolarHBondContact O-N 2.89Å; K815-V820 CarbonylContact C-O 3.55Å; K815-V820 HydrophobicContact CB-CB 4.04Å; K815-V820 HydrophobicContact CB-CG1 4.33Å; K815-V820 WeakPolarHBondContact CB-O 3.4Å; K815-V820 HydrophobicContact CD-CG1 4.38Å; K815-V820 HydrophobicContact CG-CB 4.24Å; K815-V820 HydrophobicContact CG-CG1 4.13Å; K815-V820 WeakPolarHBondContact O-CA 3.17Å; K815-V820 WeakPolarHBondContact O-CB 3.33Å; K815-V820 PolarHBondContact O-N 3.12Å; K815-V820 VanDerWaalsContact O-O 3.11Å; K815-D826 WeakPolarHBondContact CD-OD1 3.42Å; K815-D826 WeakPolarHBondContact CD-OD2 3.35Å; K815-D826 WeakPolarHBondContact CE-OD1 3.41Å; K815-D826 IonicContact NZ-OD1 3.77Å; K815-D826 PolarHBondContact NZ-OD1 3.44Å; K815-D826 IonicContact NZ-OD2 3.58Å; K815-D826 PolarHBondContact NZ-OD2 2.67Å; K815-P927 HydrophobicContact CB-CB 4.45Å; K815-P927 HydrophobicContact CB-CG 4.34Å; K815-P927 HydrophobicContact CG-CB 3.6Å; K815-P927 HydrophobicContact CG-CG 3.54Å
816K92Very high89.4Confident10 Ų1041.2 Ų41.24%0.04321%0.212CC..Hα-helixtrans-61.9-42.4179.7-66.2170.864.275.40111.9W776 A812 L813 L818 N819 P822 F898 Y906W776-K816 HydrophobicContact CH2-CD 3.98Å; W776-K816 HydrophobicContact CZ2-CD 4.44Å; A812-K816 VanDerWaalsContact O-CG 3.31Å; A812-K816 WeakPolarHBondContact O-CG 3.29Å; A812-K816 PolarHBondContact O-N 3.43Å; L813-K816 PolarHBondContact O-N 2.83Å; K816-L818 PolarHBondContact O-N 3.33Å; K816-N819 PolarHBondContact O-N 3.39Å; K816-P822 HydrophobicContact CD-CG 4.27Å; K816-P822 HydrophobicContact CG-CG 3.79Å; K816-F898 VanDerWaalsContact CE-O 3.3Å; K816-F898 WeakPolarHBondContact CE-O 3.2Å; K816-F898 PolarHBondContact NZ-O 3.15Å; K816-Y906 HydrophobicContact CB-CE1 4.07Å; K816-Y906 HydrophobicContact CB-CE2 3.63Å; K816-Y906 VanDerWaalsContact CB-OH 3.24Å; K816-Y906 WeakPolarHBondContact CB-OH 3.35Å; K816-Y906 HydrophobicContact CD-CD2 4.21Å; K816-Y906 HydrophobicContact CD-CE2 4.1Å; K816-Y906 VanDerWaalsContact CE-CE2 3.48Å; K816-Y906 PolarHBondContact O-OH 3.48Å
817L90.3Very high90.3Very high9 Ų939.2 Ų39.25%0.04720%0.201CC..Hα-helixtrans-58.9-31.7176.6-73.3173.8000113L813 Y814 K815 Y906 F909 F913 L930L813-L817 HydrophobicContact CG-CD1 4.42Å; L813-L817 PolarHBondContact O-N 2.89Å; Y814-L817 PolarHBondContact O-N 3.4Å; K815-L817 PolarHBondContact O-N 3.41Å; L817-Y906 WeakPolarHBondContact CA-OH 3.3Å; L817-Y906 PolarHBondContact N-OH 3.4Å; L817-Y906 VanDerWaalsContact N-OH 3.12Å; L817-F909 HydrophobicContact CD1-CE1 4.39Å; L817-F909 HydrophobicContact CD2-CE1 4.19Å; L817-F913 HydrophobicContact CD1-CD1 4.26Å; L817-F913 HydrophobicContact CD1-CE1 4.1Å; L817-F913 HydrophobicContact CD1-CE2 4.37Å; L817-F913 HydrophobicContact CD1-CG 4.47Å; L817-F913 HydrophobicContact CD1-CZ 4.15Å; L817-F913 HydrophobicContact CD2-CB 4.29Å; L817-F913 HydrophobicContact CD2-CD1 3.77Å; L817-F913 HydrophobicContact CD2-CE1 4.32Å; L817-F913 HydrophobicContact CD2-CG 4.05Å; L817-L930 HydrophobicContact CB-CD2 4.34Å
818L89.6Confident90.8Very high28 Ų2841.2 Ų41.215%0.14721%0.21CC..THydrogen-bonded Turntrans-94.314.1176.6-62.7175.9000113.4Y814 K815 K816 V820 L922 F925 Q926 P927 L930Y814-L818 WeakPolarHBondContact O-CG 3.37Å; Y814-L818 PolarHBondContact O-N 2.91Å; Y814-L818 VanDerWaalsContact O-N 3.17Å; K815-L818 CarbonylContact O-C 3.3Å; K815-L818 PolarHBondContact O-N 3.43Å; K815-L818 VanDerWaalsContact O-N 3.14Å; K816-L818 PolarHBondContact O-N 3.33Å; L818-V820 HydrophobicContact CB-CG2 4.34Å; L818-V820 PolarHBondContact O-N 2.83Å; L818-L922 HydrophobicContact CD2-CB 4.29Å; L818-L922 WeakPolarHBondContact CD2-O 3.46Å; L818-F925 HydrophobicContact CD1-CB 4.48Å; L818-F925 WeakPolarHBondContact CD1-O 2.85Å; L818-Q926 VanDerWaalsContact CD1-C 3.48Å; L818-P927 HydrophobicContact CD1-CB 4.45Å; L818-P927 HydrophobicContact CD1-CG 4.07Å; L818-L930 HydrophobicContact CD1-CB 4.29Å; L818-L930 HydrophobicContact CD1-CD2 4Å; L818-L930 HydrophobicContact CD2-CD2 4.04Å; L818-L930 HydrophobicContact CG-CD2 3.82Å
819N88.6Confident91.2Very high155 Ų15540.3 Ų40.383%0.82921%0.206SC*.THydrogen-bonded Turntrans57.825.9-176.6-63.5-47.5000114.8K815 K816K815-N819 PolarHBondContact O-N 2.89Å; K816-N819 PolarHBondContact O-N 3.39Å
820V89.3Confident91.3Very high62 Ų6240.1 Ų40.138%0.37621%0.205SC..PPolyproline II helixtrans-92.9131.8171.7-178.20000109.2K815 L818 P822 P927K815-V820 CarbonylContact C-O 3.55Å; K815-V820 HydrophobicContact CB-CB 4.04Å; K815-V820 HydrophobicContact CB-CG1 4.33Å; K815-V820 WeakPolarHBondContact CB-O 3.4Å; K815-V820 HydrophobicContact CD-CG1 4.38Å; K815-V820 HydrophobicContact CG-CB 4.24Å; K815-V820 HydrophobicContact CG-CG1 4.13Å; K815-V820 WeakPolarHBondContact O-CA 3.17Å; K815-V820 WeakPolarHBondContact O-CB 3.33Å; K815-V820 PolarHBondContact O-N 3.12Å; K815-V820 VanDerWaalsContact O-O 3.11Å; L818-V820 HydrophobicContact CB-CG2 4.34Å; L818-V820 PolarHBondContact O-N 2.83Å; V820-P822 WeakPolarHBondContact O-CD 3.15Å; V820-P927 HydrophobicContact CG2-CG 4.36Å
821K90Very high91.3Very high194 Ų19440.6 Ų40.684%0.84321%0.208SC*.PPolyproline II helixtrans-73.3129.5178.5-66.1-172.9179.6-175.70111
822P92.9Very high91.3Very high25 Ų2540.7 Ų40.716%0.16221%0.21CC..PPolyproline II helixtrans-63.8149.2168.7-22.936.1000111.9A812 K816 V820 D826 F898A812-P822 HydrophobicContact CB-CB 4.17Å; A812-P822 HydrophobicContact CB-CG 4.14Å; K816-P822 HydrophobicContact CD-CG 4.27Å; K816-P822 HydrophobicContact CG-CG 3.79Å; V820-P822 WeakPolarHBondContact O-CD 3.15Å; P822-D826 VanDerWaalsContact CA-OD2 3.27Å; P822-D826 WeakPolarHBondContact CA-OD2 3.19Å; P822-D826 HydrophobicContact CB-CB 4.2Å; P822-F898 HydrophobicContact CB-CB 4.06Å; P822-F898 HydrophobicContact CB-CD2 3.67Å; P822-F898 HydrophobicContact CB-CE2 4.22Å; P822-F898 HydrophobicContact CB-CG 3.85Å; P822-F898 HydrophobicContact CG-CB 3.97Å; P822-F898 HydrophobicContact CG-CD2 4.47Å; P822-F898 HydrophobicContact CG-CG 4.16Å
823G91.2Very high91.1Very high30 Ų3044 Ų4431%0.30923%0.231SC..  trans-126.3-171.717900000112.7E825 D826 L827G823-E825 VanDerWaalsContact C-N 3.28Å; G823-E825 PolarHBondContact O-N 3.43Å; G823-D826 PolarHBondContact N-OD2 3.44Å; G823-D826 WeakPolarHBondContact O-CB 3.09Å; G823-D826 PolarHBondContact O-N 3.44Å; G823-L827 PolarHBondContact O-N 3.28Å
824L91.3Very high91Very high23 Ų2346.3 Ų46.312%0.1224%0.242CC..Hα-helixtrans-59.5-35.7-178.7-179.261.3000113.3D826 L827 K828 L838 Q839 L842 V890 V894L824-D826 PolarHBondContact O-N 2.87Å; L824-L827 HydrophobicContact CD1-CD2 4.47Å; L824-L827 WeakPolarHBondContact O-CB 3.38Å; L824-L827 PolarHBondContact O-N 3.04Å; L824-L827 VanDerWaalsContact O-N 3.11Å; L824-K828 PolarHBondContact O-N 2.66Å; L824-L838 HydrophobicContact CD1-CB 3.86Å; L824-L838 HydrophobicContact CD1-CD1 4.25Å; L824-Q839 HydrophobicContact CD2-CB 4.26Å; L824-Q839 VanDerWaalsContact CD2-OE1 3.27Å; L824-L842 HydrophobicContact CD2-CD1 3.87Å; L824-V890 HydrophobicContact CB-CG1 4.48Å; L824-V890 HydrophobicContact CD1-CG1 3.98Å; L824-V890 HydrophobicContact CD2-CG1 4.17Å; L824-V890 HydrophobicContact CG-CG1 4.44Å; L824-V894 HydrophobicContact CD1-CG2 4.4Å
825E90Very high91Very high120 Ų12046.3 Ų46.356%0.56124%0.242SC*.Hα-helixtrans-61.7-33.1176-63.3-53.7127.800112.7G823 L827 K828 E829G823-E825 VanDerWaalsContact C-N 3.28Å; G823-E825 PolarHBondContact O-N 3.43Å; E825-L827 VanDerWaalsContact C-N 3.33Å; E825-K828 PolarHBondContact O-N 3.24Å; E825-K828 IonicContact OE1-NZ 3.35Å; E825-K828 PolarHBondContact OE1-NZ 3.01Å; E825-K828 IonicContact OE2-NZ 3.85Å; E825-E829 PolarHBondContact O-N 3.48Å
826D92.4Very high91Very high4 Ų451.4 Ų51.42%0.02126%0.26CS..Hα-helixtrans-71.7-32.2176.6-58.6-64.4000111.5A812 K815 P822 G823 L824 E829 L830 F898A812-D826 HydrophobicContact CB-CB 4.1Å; K815-D826 WeakPolarHBondContact CD-OD1 3.42Å; K815-D826 WeakPolarHBondContact CD-OD2 3.35Å; K815-D826 WeakPolarHBondContact CE-OD1 3.41Å; K815-D826 IonicContact NZ-OD1 3.77Å; K815-D826 PolarHBondContact NZ-OD1 3.44Å; K815-D826 IonicContact NZ-OD2 3.58Å; K815-D826 PolarHBondContact NZ-OD2 2.67Å; P822-D826 VanDerWaalsContact CA-OD2 3.27Å; P822-D826 WeakPolarHBondContact CA-OD2 3.19Å; P822-D826 HydrophobicContact CB-CB 4.2Å; G823-D826 PolarHBondContact N-OD2 3.44Å; G823-D826 WeakPolarHBondContact O-CB 3.09Å; G823-D826 PolarHBondContact O-N 3.44Å; L824-D826 PolarHBondContact O-N 2.87Å; D826-E829 PolarHBondContact O-N 3.35Å; D826-L830 PolarHBondContact O-N 2.97Å; D826-L830 VanDerWaalsContact O-N 3.08Å; D826-F898 HydrophobicContact CB-CE2 4Å; D826-F898 HydrophobicContact CB-CZ 4Å
827L92.2Very high90.9Very high1 Ų154 Ų541%0.00528%0.279CS..Hα-helixtrans-70.2-36.6173.5-172.463.5000111.2G823 L824 E825 E829 L830 S831 L838 Y893 V894 V897 F898G823-L827 PolarHBondContact O-N 3.28Å; L824-L827 HydrophobicContact CD1-CD2 4.47Å; L824-L827 WeakPolarHBondContact O-CB 3.38Å; L824-L827 PolarHBondContact O-N 3.04Å; L824-L827 VanDerWaalsContact O-N 3.11Å; E825-L827 VanDerWaalsContact C-N 3.33Å; L827-E829 VanDerWaalsContact C-N 3.25Å; L827-E829 PolarHBondContact O-N 3.21Å; L827-L830 PolarHBondContact O-N 3.28Å; L827-S831 CarbonylContact O-C 3.18Å; L827-S831 VanDerWaalsContact O-C 3.32Å; L827-S831 WeakPolarHBondContact O-CA 3.41Å; L827-S831 PolarHBondContact O-N 3.39Å; L827-S831 VanDerWaalsContact O-O 3.08Å; L827-L838 HydrophobicContact CD2-CD1 3.61Å; L827-Y893 HydrophobicContact CD2-CD1 3.97Å; L827-Y893 HydrophobicContact CD2-CE1 3.99Å; L827-V894 HydrophobicContact CD2-CG2 4.17Å; L827-V897 HydrophobicContact CD1-CG1 4.1Å; L827-F898 HydrophobicContact CB-CE2 3.98Å; L827-F898 HydrophobicContact CB-CZ 4.39Å; L827-F898 HydrophobicContact CD1-CE2 4.31Å; L827-F898 HydrophobicContact CD1-CZ 4.38Å
828K91.9Very high91.1Very high47 Ų4754.2 Ų54.220%0.20428%0.28CS..Hα-helixtrans-62.5-32.8173.2-69.8174.2-174.4166.10112.2L824 E825 P832L824-K828 PolarHBondContact O-N 2.66Å; E825-K828 PolarHBondContact O-N 3.24Å; E825-K828 IonicContact OE1-NZ 3.35Å; E825-K828 PolarHBondContact OE1-NZ 3.01Å; E825-K828 IonicContact OE2-NZ 3.85Å; K828-P832 WeakPolarHBondContact O-CA 3.36Å; K828-P832 WeakPolarHBondContact O-CG 3.35Å
829E92.1Very high91.2Very high64 Ų6455.1 Ų55.130%0.29928%0.284SS..Hα-helixtrans-70.7-46.6173.4-174.5-179-148.900111.4S772 L774 L811 E825 D826 L827 R931S772-E829 VanDerWaalsContact CB-O 3.24Å; S772-E829 WeakPolarHBondContact CB-O 3.32Å; L774-E829 HydrophobicContact CD1-CG 3.95Å; L811-E829 WeakPolarHBondContact CB-OE2 3.45Å; L811-E829 PolarHBondContact N-OE2 3.23Å; E825-E829 PolarHBondContact O-N 3.48Å; D826-E829 PolarHBondContact O-N 3.35Å; L827-E829 VanDerWaalsContact C-N 3.25Å; L827-E829 PolarHBondContact O-N 3.21Å; E829-R931 IonicContact OE1-CZ 3.78Å; E829-R931 IonicContact OE1-NH1 3.86Å; E829-R931 PolarHBondContact OE1-NH1 3.18Å; E829-R931 IonicContact OE2-NH1 3.59Å
830L91.9Very high91.3Very high0 Ų053.9 Ų53.90%027%0.273CS..Hα-helixtrans-70.5-52-178.2178.361.9000112.9Y769 S772 L774 W776 P810 D826 L827 V897 F898Y769-L830 HydrophobicContact CD1-CD1 4.38Å; Y769-L830 HydrophobicContact CD1-CG 4.36Å; Y769-L830 HydrophobicContact CD2-CD1 3.67Å; Y769-L830 HydrophobicContact CD2-CG 4.39Å; Y769-L830 HydrophobicContact CE1-CD1 4.49Å; Y769-L830 HydrophobicContact CE1-CG 4.2Å; Y769-L830 HydrophobicContact CE2-CD1 3.83Å; Y769-L830 HydrophobicContact CE2-CD2 4.42Å; Y769-L830 HydrophobicContact CE2-CG 4.26Å; Y769-L830 HydrophobicContact CG-CD1 3.97Å; Y769-L830 HydrophobicContact CG-CG 4.45Å; S772-L830 WeakPolarHBondContact CB-O 3.41Å; S772-L830 PolarHBondContact OG-O 3.3Å; L774-L830 HydrophobicContact CB-CD1 4.34Å; W776-L830 HydrophobicContact CB-CD1 3.83Å; W776-L830 HydrophobicContact CB-CD2 4.04Å; W776-L830 HydrophobicContact CD2-CD2 4.26Å; W776-L830 HydrophobicContact CG-CD1 4.44Å; W776-L830 HydrophobicContact CG-CD2 3.84Å; P810-L830 HydrophobicContact CB-CB 4.43Å; P810-L830 HydrophobicContact CG-CD1 4.21Å; D826-L830 PolarHBondContact O-N 2.97Å; D826-L830 VanDerWaalsContact O-N 3.08Å; L827-L830 PolarHBondContact O-N 3.28Å; L830-V897 HydrophobicContact CD2-CG1 4.28Å; L830-F898 HydrophobicContact CB-CZ 4.3Å; L830-F898 HydrophobicContact CD2-CE1 3.75Å; L830-F898 HydrophobicContact CD2-CZ 4.07Å
831S91.8Very high91.4Very high10 Ų1051 Ų517%0.0726%0.256CS..  trans-131.688.3179.7-175.80000109.4L827 T833 E834 G835L827-S831 CarbonylContact O-C 3.18Å; L827-S831 VanDerWaalsContact O-C 3.32Å; L827-S831 WeakPolarHBondContact O-CA 3.41Å; L827-S831 PolarHBondContact O-N 3.39Å; L827-S831 VanDerWaalsContact O-O 3.08Å; S831-T833 PolarHBondContact O-N 2.92Å; S831-T833 VanDerWaalsContact O-N 3.14Å; S831-E834 PolarHBondContact O-N 3.47Å; S831-E834 WeakPolarHBondContact OG-CG 3.3Å; S831-G835 PolarHBondContact O-N 2.61Å
832P90.8Very high91.5Very high31 Ų3143 Ų4320%0.20122%0.222CC..Hα-helixtrans-58.4-29.8-175.4-25.332.8000114K828 R836K828-P832 WeakPolarHBondContact O-CA 3.36Å; K828-P832 WeakPolarHBondContact O-CG 3.35Å; P832-R836 WeakPolarHBondContact O-CB 3.07Å; P832-R836 VanDerWaalsContact O-CG 3.24Å; P832-R836 WeakPolarHBondContact O-CG 3.46Å; P832-R836 PolarHBondContact O-N 3.41Å; P832-R836 PolarHBondContact O-NE 3.43Å
833T89.3Confident91.4Very high71 Ų7147 Ų4744%0.43624%0.242SC..Hα-helixtrans-73.4-52.9179.5-53.60000110.5D771 S831 G835 R836 S837D771-T833 PolarHBondContact OD2-OG1 2.9Å; D771-T833 VanDerWaalsContact OD2-OG1 3.14Å; S831-T833 PolarHBondContact O-N 2.92Å; S831-T833 VanDerWaalsContact O-N 3.14Å; T833-G835 PolarHBondContact O-N 3.32Å; T833-R836 PolarHBondContact O-N 3.39Å; T833-S837 PolarHBondContact O-N 3.34Å; T833-S837 VanDerWaalsContact O-N 3.15Å; T833-S837 PolarHBondContact O-OG 2.84Å
834E89.7Confident91.3Very high49 Ų4948.2 Ų48.223%0.22924%0.238CC..Hα-helixtrans-60.1-45.3177.1-69.1-175.6-157.500111.6S831 R836 S837 L838 R861 Y893S831-E834 PolarHBondContact O-N 3.47Å; S831-E834 WeakPolarHBondContact OG-CG 3.3Å; E834-R836 PolarHBondContact O-N 2.83Å; E834-S837 PolarHBondContact O-N 3.18Å; E834-L838 WeakPolarHBondContact O-CG 3.28Å; E834-L838 PolarHBondContact O-N 3.35Å; E834-L838 VanDerWaalsContact O-N 3.12Å; E834-R861 IonicContact OE1-CZ 3.49Å; E834-R861 IonicContact OE1-NH1 3.75Å; E834-R861 PolarHBondContact OE1-NH1 3.29Å; E834-R861 IonicContact OE1-NH2 3.28Å; E834-R861 IonicContact OE2-CZ 3.8Å; E834-R861 IonicContact OE2-NH1 3.82Å; E834-R861 IonicContact OE2-NH2 2.64Å; E834-R861 PolarHBondContact OE2-NH2 2.97Å; E834-Y893 PolarHBondContact OE2-OH 3.45Å
835G90.9Very high91Very high0 Ų052.8 Ų52.80%027%0.269CS..Hα-helixtrans-64.8-35-17900000113.9S831 T833 Q839S831-G835 PolarHBondContact O-N 2.61Å; T833-G835 PolarHBondContact O-N 3.32Å; G835-Q839 PolarHBondContact O-N 3.41Å; G835-Q839 VanDerWaalsContact O-N 3.17Å
836R92.3Very high90.6Very high147 Ų14748 Ų4856%0.55525%0.251SS*.Hα-helixtrans-71-41.7175.3-79.8-178.2-74.5170.7-2.8111.9P832 T833 E834 L838 Q839 E840P832-R836 WeakPolarHBondContact O-CB 3.07Å; P832-R836 VanDerWaalsContact O-CG 3.24Å; P832-R836 WeakPolarHBondContact O-CG 3.46Å; P832-R836 PolarHBondContact O-N 3.41Å; P832-R836 PolarHBondContact O-NE 3.43Å; T833-R836 PolarHBondContact O-N 3.39Å; E834-R836 PolarHBondContact O-N 2.83Å; R836-L838 VanDerWaalsContact C-N 3.33Å; R836-L838 PolarHBondContact O-N 3.24Å; R836-Q839 WeakPolarHBondContact O-CB 3.45Å; R836-Q839 PolarHBondContact O-N 3.23Å; R836-Q839 VanDerWaalsContact O-N 3.13Å; R836-E840 WeakPolarHBondContact O-CG 3.47Å; R836-E840 PolarHBondContact O-N 3.42Å
837S91.4Very high90Very high64 Ų6454.3 Ų54.345%0.44828%0.28SS..Hα-helixtrans-62.4-38.5176.9-60.90000112.8T833 E834 E840 L841T833-S837 PolarHBondContact O-N 3.34Å; T833-S837 VanDerWaalsContact O-N 3.15Å; T833-S837 PolarHBondContact O-OG 2.84Å; E834-S837 PolarHBondContact O-N 3.18Å; S837-E840 PolarHBondContact O-N 2.95Å; S837-L841 PolarHBondContact O-N 3.35Å; S837-L841 VanDerWaalsContact O-N 3.13Å
838L92.6Very high89.7Confident14 Ų1457.6 Ų57.67%0.07330%0.298CS..Hα-helixtrans-69.6-33.1174.3-67.2178.2000112.5L824 L827 E834 R836 L841 L842 F889 V890 Y893L824-L838 HydrophobicContact CD1-CB 3.86Å; L824-L838 HydrophobicContact CD1-CD1 4.25Å; L827-L838 HydrophobicContact CD2-CD1 3.61Å; E834-L838 WeakPolarHBondContact O-CG 3.28Å; E834-L838 PolarHBondContact O-N 3.35Å; E834-L838 VanDerWaalsContact O-N 3.12Å; R836-L838 VanDerWaalsContact C-N 3.33Å; R836-L838 PolarHBondContact O-N 3.24Å; L838-L841 WeakPolarHBondContact O-CB 3.2Å; L838-L841 PolarHBondContact O-N 3.49Å; L838-L842 PolarHBondContact O-N 3.33Å; L838-F889 HydrophobicContact CD2-CD1 4.43Å; L838-F889 HydrophobicContact CD2-CE1 3.86Å; L838-V890 HydrophobicContact CB-CG1 4.39Å; L838-V890 HydrophobicContact CB-CG2 4.17Å; L838-V890 HydrophobicContact CD2-CG2 4.29Å; L838-Y893 HydrophobicContact CD1-CD1 3.7Å; L838-Y893 HydrophobicContact CD1-CD2 4.32Å; L838-Y893 HydrophobicContact CD1-CE1 4.12Å; L838-Y893 HydrophobicContact CD1-CG 3.83Å; L838-Y893 HydrophobicContact CD2-CD2 4.38Å
839Q92.9Very high89.3Confident47 Ų4755.4 Ų55.422%0.2229%0.288CS..Hα-helixtrans-65.7-42.6172.5-175.165.459.700111.3L824 G835 R836 L841 L842 D843L824-Q839 HydrophobicContact CD2-CB 4.26Å; L824-Q839 VanDerWaalsContact CD2-OE1 3.27Å; G835-Q839 PolarHBondContact O-N 3.41Å; G835-Q839 VanDerWaalsContact O-N 3.17Å; R836-Q839 WeakPolarHBondContact O-CB 3.45Å; R836-Q839 PolarHBondContact O-N 3.23Å; R836-Q839 VanDerWaalsContact O-N 3.13Å; Q839-L841 VanDerWaalsContact C-N 3.26Å; Q839-L841 PolarHBondContact O-N 3.01Å; Q839-L842 WeakPolarHBondContact O-CB 3.16Å; Q839-L842 PolarHBondContact O-N 3.49Å; Q839-L842 VanDerWaalsContact O-N 3.07Å; Q839-D843 WeakPolarHBondContact CG-OD2 3.24Å; Q839-D843 VanDerWaalsContact NE2-CG 3.32Å; Q839-D843 PolarHBondContact NE2-OD1 3.35Å; Q839-D843 VanDerWaalsContact NE2-OD1 3.08Å; Q839-D843 PolarHBondContact NE2-OD2 3.2Å; Q839-D843 PolarHBondContact O-N 3.38Å
840E91.2Very high89Confident128 Ų12856.8 Ų56.860%0.59830%0.295SS*.Hα-helixtrans-60.6-35175.8-72.8172.2-177.500112.3R836 S837 D843 Y844R836-E840 WeakPolarHBondContact O-CG 3.47Å; R836-E840 PolarHBondContact O-N 3.42Å; S837-E840 PolarHBondContact O-N 2.95Å; E840-D843 PolarHBondContact O-N 3.49Å; E840-Y844 WeakPolarHBondContact O-CB 3.24Å; E840-Y844 PolarHBondContact O-N 3.49Å
841L91.3Very high88.7Confident3 Ų364.5 Ų64.52%0.01633%0.331CS..Hα-helixtrans-63.5-40172.7178.665.9000112.5S837 L838 Q839 V849 F853 L855 V881 R886 F889 V890S837-L841 PolarHBondContact O-N 3.35Å; S837-L841 VanDerWaalsContact O-N 3.13Å; L838-L841 WeakPolarHBondContact O-CB 3.2Å; L838-L841 PolarHBondContact O-N 3.49Å; Q839-L841 VanDerWaalsContact C-N 3.26Å; Q839-L841 PolarHBondContact O-N 3.01Å; L841-V849 HydrophobicContact CD1-CG1 3.99Å; L841-F853 HydrophobicContact CD1-CB 4.39Å; L841-F853 HydrophobicContact CD1-CD1 4.03Å; L841-F853 HydrophobicContact CD1-CD2 3.71Å; L841-F853 HydrophobicContact CD1-CE1 4.2Å; L841-F853 HydrophobicContact CD1-CE2 3.9Å; L841-F853 HydrophobicContact CD1-CG 3.78Å; L841-F853 HydrophobicContact CD1-CZ 4.13Å; L841-L855 HydrophobicContact CD2-CD1 4.24Å; L841-V881 HydrophobicContact CD2-CG1 4.36Å; L841-R886 HydrophobicContact CG-CB 4.45Å; L841-R886 PolarHBondContact O-NH1 2.87Å; L841-F889 HydrophobicContact CD2-CD1 3.74Å; L841-F889 HydrophobicContact CD2-CE1 4.06Å; L841-V890 HydrophobicContact CD2-CG2 4.39Å
842L90.6Very high88.4Confident25 Ų2567.2 Ų67.213%0.13135%0.347CS..Hα-helixtrans-70.7-38176.9-65.2178.2000112.1L824 L838 Q839 Y844 R886 Q887 V890L824-L842 HydrophobicContact CD2-CD1 3.87Å; L838-L842 PolarHBondContact O-N 3.33Å; Q839-L842 WeakPolarHBondContact O-CB 3.16Å; Q839-L842 PolarHBondContact O-N 3.49Å; Q839-L842 VanDerWaalsContact O-N 3.07Å; L842-Y844 VanDerWaalsContact C-N 3.32Å; L842-R886 HydrophobicContact CD2-CG 4.15Å; L842-R886 PolarHBondContact O-NH1 3.32Å; L842-R886 VanDerWaalsContact O-NH1 3.1Å; L842-R886 PolarHBondContact O-NH2 3.27Å; L842-Q887 HydrophobicContact CD2-CB 4.45Å; L842-V890 HydrophobicContact CD1-CB 4.48Å; L842-V890 HydrophobicContact CD1-CG1 4.24Å; L842-V890 HydrophobicContact CD1-CG2 4.24Å; L842-V890 HydrophobicContact CD2-CB 4.36Å; L842-V890 HydrophobicContact CD2-CG2 3.82Å; L842-V890 HydrophobicContact CG-CG2 3.92Å
843D91Very high88.2Confident108 Ų10869 Ų6958%0.57835%0.352SS*.Hα-helixtrans-84.6-7.5-176.3-64.5-22.3000113Q839 E840 P845Q839-D843 WeakPolarHBondContact CG-OD2 3.24Å; Q839-D843 VanDerWaalsContact NE2-CG 3.32Å; Q839-D843 PolarHBondContact NE2-OD1 3.35Å; Q839-D843 VanDerWaalsContact NE2-OD1 3.08Å; Q839-D843 PolarHBondContact NE2-OD2 3.2Å; Q839-D843 PolarHBondContact O-N 3.38Å; E840-D843 PolarHBondContact O-N 3.49Å; D843-P845 WeakPolarHBondContact O-CD 3.44Å
844Y90.4Very high88.1Confident57 Ų5770.3 Ų70.322%0.22436%0.363CS..  trans-59.4122.6178.9-173.1-101.4000111.4E840 L842 G846 D848 V849 T852 F853 R886E840-Y844 WeakPolarHBondContact O-CB 3.24Å; E840-Y844 PolarHBondContact O-N 3.49Å; L842-Y844 VanDerWaalsContact C-N 3.32Å; Y844-G846 WeakPolarHBondContact CD1-O 3.26Å; Y844-D848 PolarHBondContact OH-OD1 2.9Å; Y844-D848 VanDerWaalsContact OH-OD1 3.05Å; Y844-D848 PolarHBondContact OH-OD2 3.28Å; Y844-V849 HydrophobicContact CD1-CG2 3.81Å; Y844-V849 HydrophobicContact CE1-CG2 4.27Å; Y844-T852 HydrophobicContact CE2-CG2 4.18Å; Y844-T852 PolarHBondContact OH-OG1 3.49Å; Y844-T852 VanDerWaalsContact OH-OG1 3.14Å; Y844-F853 AromaticContact CD1-CE2 3.9Å; Y844-F853 HydrophobicContact CD1-CE2 3.9Å; Y844-F853 AromaticContact CD2-CE2 3.78Å; Y844-F853 HydrophobicContact CD2-CE2 3.78Å; Y844-F853 AromaticContact CD2-CZ 3.83Å; Y844-F853 HydrophobicContact CD2-CZ 3.83Å; Y844-F853 HydrophobicContact CE1-CE2 4.26Å; Y844-F853 HydrophobicContact CE2-CE2 4.16Å; Y844-F853 HydrophobicContact CE2-CZ 4.39Å; Y844-F853 AromaticContact CG-CE2 3.63Å; Y844-F853 HydrophobicContact CG-CE2 3.63Å; Y844-F853 AromaticContact CG-CZ 3.98Å; Y844-F853 HydrophobicContact CG-CZ 3.98Å; Y844-R886 PolarHBondContact O-NH1 2.82Å
845P83.3Confident88.1Confident119 Ų11971 Ų7177%0.77337%0.368SS*.  trans-88.5-14.1-17433.5-35.4000114.4D843D843-P845 WeakPolarHBondContact O-CD 3.44Å
846G82.6Confident88.1Confident18 Ų1873.8 Ų73.819%0.18638%0.383CS..  trans-73.8152.9-178.500000113.2Y844 D848Y844-G846 WeakPolarHBondContact CD1-O 3.26Å; G846-D848 VanDerWaalsContact C-N 3.32Å
847E79.7Confident88.1Confident137 Ų13767 Ų6764%0.6436%0.357SS*.SBendtrans-81.6-14.7175.1-57.5-63.7147.600112.3V849 K883E847-V849 VanDerWaalsContact C-N 3.27Å; E847-V849 PolarHBondContact O-N 3.11Å; E847-K883 IonicContact OE1-NZ 3.96Å; E847-K883 PolarHBondContact OE1-NZ 3.09Å; E847-K883 WeakPolarHBondContact OE2-CD 3.18Å; E847-K883 IonicContact OE2-NZ 3.37Å; E847-K883 PolarHBondContact OE2-NZ 2.71Å
848D85.9Confident88.1Confident70 Ų7065.1 Ų65.137%0.37434%0.343SS..  trans-87.937.8-175.659.1-40.4000113.2Y844 G846 E850 E851 T852Y844-D848 PolarHBondContact OH-OD1 2.9Å; Y844-D848 VanDerWaalsContact OH-OD1 3.05Å; Y844-D848 PolarHBondContact OH-OD2 3.28Å; G846-D848 VanDerWaalsContact C-N 3.32Å; D848-E850 VanDerWaalsContact C-N 3.3Å; D848-E850 PolarHBondContact O-N 2.89Å; D848-E851 PolarHBondContact O-N 3.47Å; D848-T852 VanDerWaalsContact O-CB 3.26Å; D848-T852 WeakPolarHBondContact O-CB 3.39Å; D848-T852 PolarHBondContact O-N 3.48Å; D848-T852 PolarHBondContact O-OG1 2.95Å; D848-T852 VanDerWaalsContact O-OG1 3.06Å; D848-T852 PolarHBondContact OD2-OG1 2.95Å; D848-T852 VanDerWaalsContact OD2-OG1 3.1Å
849V84.4Confident88Confident1 Ų165 Ų651%0.00634%0.343CS..Hα-helixtrans-58.1-41.9-179.8177.90000111.5L841 Y844 E847 F853 K883L841-V849 HydrophobicContact CD1-CG1 3.99Å; Y844-V849 HydrophobicContact CD1-CG2 3.81Å; Y844-V849 HydrophobicContact CE1-CG2 4.27Å; E847-V849 VanDerWaalsContact C-N 3.27Å; E847-V849 PolarHBondContact O-N 3.11Å; V849-F853 HydrophobicContact CG1-CD2 4Å; V849-F853 WeakPolarHBondContact O-CD2 3.19Å; V849-F853 PolarHBondContact O-N 3.02Å; V849-K883 HydrophobicContact CG2-CB 4.27Å
850E85.4Confident87.6Confident93 Ų9367.1 Ų67.144%0.43536%0.362SS..Hα-helixtrans-64.5-44.9-179.7-71.4-173.6148.700112D848 C854 T880 V881 C882D848-E850 VanDerWaalsContact C-N 3.3Å; D848-E850 PolarHBondContact O-N 2.89Å; E850-C854 VanDerWaalsContact O-CA 3.27Å; E850-C854 WeakPolarHBondContact O-CA 2.91Å; E850-C854 PolarHBondContact O-N 2.96Å; E850-C854 PolarHBondContact O-SG 3.13Å; E850-T880 WeakPolarHBondContact OE1-CB 3.29Å; E850-T880 PolarHBondContact OE1-OG1 3.27Å; E850-V881 WeakPolarHBondContact CG-O 3.28Å; E850-C882 HydrophobicContact CG-CB 3.75Å; E850-C882 WeakPolarHBondContact OE1-CB 3.45Å
851E85.2Confident87.2Confident163 Ų16362.6 Ų62.676%0.76234%0.339SS*.Hα-helixtrans-73.4-37.5-179-63.2-176.6-178.400111.9D848 C854D848-E851 PolarHBondContact O-N 3.47Å; E851-C854 PolarHBondContact O-SG 3.3Å
852T85.3Confident86.6Confident67 Ų6769.2 Ų69.241%0.41137%0.37SS..Hα-helixtrans-72.7-47.3-177.4-680000112.2Y844 D848Y844-T852 HydrophobicContact CE2-CG2 4.18Å; Y844-T852 PolarHBondContact OH-OG1 3.49Å; Y844-T852 VanDerWaalsContact OH-OG1 3.14Å; D848-T852 VanDerWaalsContact O-CB 3.26Å; D848-T852 WeakPolarHBondContact O-CB 3.39Å; D848-T852 PolarHBondContact O-N 3.48Å; D848-T852 PolarHBondContact O-OG1 2.95Å; D848-T852 VanDerWaalsContact O-OG1 3.06Å; D848-T852 PolarHBondContact OD2-OG1 2.95Å; D848-T852 VanDerWaalsContact OD2-OG1 3.1Å
853F86.3Confident85.6Confident67 Ų6769 Ų6929%0.29437%0.37SS..Hα-helixtrans-98.4-26.1-172.4-65.1-86000112.9L841 Y844 V849 L855L841-F853 HydrophobicContact CD1-CB 4.39Å; L841-F853 HydrophobicContact CD1-CD1 4.03Å; L841-F853 HydrophobicContact CD1-CD2 3.71Å; L841-F853 HydrophobicContact CD1-CE1 4.2Å; L841-F853 HydrophobicContact CD1-CE2 3.9Å; L841-F853 HydrophobicContact CD1-CG 3.78Å; L841-F853 HydrophobicContact CD1-CZ 4.13Å; Y844-F853 AromaticContact CD1-CE2 3.9Å; Y844-F853 HydrophobicContact CD1-CE2 3.9Å; Y844-F853 AromaticContact CD2-CE2 3.78Å; Y844-F853 HydrophobicContact CD2-CE2 3.78Å; Y844-F853 AromaticContact CD2-CZ 3.83Å; Y844-F853 HydrophobicContact CD2-CZ 3.83Å; Y844-F853 HydrophobicContact CE1-CE2 4.26Å; Y844-F853 HydrophobicContact CE2-CE2 4.16Å; Y844-F853 HydrophobicContact CE2-CZ 4.39Å; Y844-F853 AromaticContact CG-CE2 3.63Å; Y844-F853 HydrophobicContact CG-CE2 3.63Å; Y844-F853 AromaticContact CG-CZ 3.98Å; Y844-F853 HydrophobicContact CG-CZ 3.98Å; V849-F853 HydrophobicContact CG1-CD2 4Å; V849-F853 WeakPolarHBondContact O-CD2 3.19Å; V849-F853 PolarHBondContact O-N 3.02Å; F853-L855 HydrophobicContact CB-CD1 4.07Å; F853-L855 HydrophobicContact CB-CG 4Å; F853-L855 WeakPolarHBondContact O-CG 3.38Å; F853-L855 PolarHBondContact O-N 3.16Å; F853-L855 VanDerWaalsContact O-N 3.15Å
854C87.1Confident84.5Confident100 Ų10071 Ų7168%0.67637%0.371SS*.  trans48.541178.8-71.50000113.2E850 E851E850-C854 VanDerWaalsContact O-CA 3.27Å; E850-C854 WeakPolarHBondContact O-CA 2.91Å; E850-C854 PolarHBondContact O-N 2.96Å; E850-C854 PolarHBondContact O-SG 3.13Å; E851-C854 PolarHBondContact O-SG 3.3Å
855L89.9Confident83.5Confident64 Ų6471.1 Ų71.134%0.33539%0.389SS..  trans-97144.4-178.8-63.8174.9000111.2L841 F853 V881 F889L841-L855 HydrophobicContact CD2-CD1 4.24Å; F853-L855 HydrophobicContact CB-CD1 4.07Å; F853-L855 HydrophobicContact CB-CG 4Å; F853-L855 WeakPolarHBondContact O-CG 3.38Å; F853-L855 PolarHBondContact O-N 3.16Å; F853-L855 VanDerWaalsContact O-N 3.15Å; L855-V881 HydrophobicContact CB-CB 4.03Å; L855-V881 HydrophobicContact CB-CG2 3.81Å; L855-V881 WeakPolarHBondContact O-CG2 2.89Å; L855-V881 PolarHBondContact O-N 2.85Å; L855-F889 HydrophobicContact CD1-CE1 4.2Å; L855-F889 HydrophobicContact CD1-CZ 4.36Å
856N91.3Very high83.2Confident58 Ų5869.5 Ų69.531%0.3138%0.377SS..BIsolated β-bridgetrans-114.4171.9165.1-64.10.8000108.9T858 D877 V879 F889N856-T858 PolarHBondContact O-N 3.12Å; N856-D877 PolarHBondContact ND2-O 3.16Å; N856-V879 WeakPolarHBondContact CA-O 3.29Å; N856-V879 WeakPolarHBondContact CB-O 3.16Å; N856-F889 VanDerWaalsContact O-CE2 3.29Å; N856-F889 WeakPolarHBondContact O-CE2 3.24Å
857F92.6Very high83.2Confident4 Ų474.3 Ų74.32%0.01840%0.397CS..SBendtrans-74.349.9177-80-113.4000113.1L872 I873 G876 V879 V881 N885 E888 F889 A892F857-L872 PolarHBondContact O-N 3.09Å; F857-I873 HydrophobicContact CB-CD1 3.94Å; F857-I873 HydrophobicContact CB-CG1 3.76Å; F857-I873 HydrophobicContact CD1-CD1 3.56Å; F857-I873 HydrophobicContact CD1-CG1 3.89Å; F857-I873 HydrophobicContact CD1-CG2 3.99Å; F857-I873 HydrophobicContact CD2-CD1 4.41Å; F857-I873 HydrophobicContact CE1-CD1 4.09Å; F857-I873 HydrophobicContact CG-CD1 3.73Å; F857-I873 HydrophobicContact CG-CG1 4.05Å; F857-G876 PolarHBondContact N-O 3.22Å; F857-V879 HydrophobicContact CD2-CB 3.96Å; F857-V879 HydrophobicContact CD2-CG1 3.62Å; F857-V879 HydrophobicContact CE2-CG1 3.74Å; F857-V879 HydrophobicContact CG-CG1 4.45Å; F857-V879 PolarHBondContact N-O 3.08Å; F857-V879 VanDerWaalsContact N-O 3.15Å; F857-V881 HydrophobicContact CD2-CG2 3.95Å; F857-V881 HydrophobicContact CE2-CG2 3.93Å; F857-N885 HydrophobicContact CZ-CB 4.33Å; F857-E888 HydrophobicContact CE1-CB 4.36Å; F857-E888 HydrophobicContact CZ-CB 4.32Å; F857-F889 HydrophobicContact CD1-CB 4.46Å; F857-F889 HydrophobicContact CD1-CD2 4.09Å; F857-F889 HydrophobicContact CD2-CD2 4.16Å; F857-F889 VanDerWaalsContact CE1-CA 3.45Å; F857-F889 HydrophobicContact CE1-CB 3.89Å; F857-F889 HydrophobicContact CE1-CD2 4.35Å; F857-F889 HydrophobicContact CE2-CB 4.13Å; F857-F889 HydrophobicContact CE2-CD2 4.4Å; F857-F889 HydrophobicContact CG-CD2 4.01Å; F857-F889 HydrophobicContact CZ-CB 3.7Å; F857-A892 HydrophobicContact CD1-CB 4.48Å
858T91.3Very high83.4Confident25 Ų2571.6 Ų71.615%0.15338%0.384CS..EExtended strand (participates in β ladder)trans-137.2148.4177.565.30000110.6N856 Q869 K870 K871 D877N856-T858 PolarHBondContact O-N 3.12Å; T858-Q869 HydrophobicContact CG2-CG 4.5Å; T858-Q869 PolarHBondContact OG1-NE2 3.49Å; T858-K870 CarbonylContact C-O 3.57Å; T858-K870 WeakPolarHBondContact CA-O 3.46Å; T858-K871 HydrophobicContact CG2-CG 4.2Å; T858-D877 HydrophobicContact CG2-CB 4.18Å
859I89.6Confident83.4Confident11 Ų1174.4 Ų74.46%0.05640%0.395CS..EExtended strand (participates in β ladder)trans-126.1151.8176.365.1169.9000110.3R861 Q869 K870 L872 Y893 Y896I859-R861 HydrophobicContact CD1-CG 4.02Å; I859-R861 HydrophobicContact CG1-CG 4.47Å; I859-Q869 CarbonylContact O-C 3.45Å; I859-Q869 WeakPolarHBondContact O-CA 3.14Å; I859-K870 HydrophobicContact CG1-CB 3.98Å; I859-K870 PolarHBondContact N-O 3.05Å; I859-K870 PolarHBondContact O-N 3.09Å; I859-L872 HydrophobicContact CD1-CD2 4.05Å; I859-L872 HydrophobicContact CG1-CD2 4.09Å; I859-L872 HydrophobicContact CG2-CD1 3.88Å; I859-L872 HydrophobicContact CG2-CD2 3.86Å; I859-L872 HydrophobicContact CG2-CG 4Å; I859-Y893 HydrophobicContact CB-CE2 4.3Å; I859-Y893 HydrophobicContact CG2-CD2 3.5Å; I859-Y893 VanDerWaalsContact CG2-CD2 3.5Å; I859-Y893 HydrophobicContact CG2-CE2 3.39Å; I859-Y896 HydrophobicContact CD1-CD1 3.45Å; I859-Y896 VanDerWaalsContact CD1-CD1 3.45Å; I859-Y896 HydrophobicContact CD1-CE1 3.52Å; I859-Y896 HydrophobicContact CD1-CG 4.15Å
860C85.9Confident83.6Confident92 Ų9277.5 Ų77.562%0.62241%0.409SS*.EExtended strand (participates in β ladder)trans-98.9123.5172.1-650000108.9I867 E868C860-I867 HydrophobicContact CB-CG2 3.95Å; C860-E868 WeakPolarHBondContact CA-O 3.47Å
861R82.4Confident83.9Confident33 Ų3378.5 Ų78.513%0.12541%0.411CS..EExtended strand (participates in β ladder)trans-119.5132.6173.2-75.5-70.8-177-156.8-4.5109.1E834 I859 E868 Y893E834-R861 IonicContact OE1-CZ 3.49Å; E834-R861 IonicContact OE1-NH1 3.75Å; E834-R861 PolarHBondContact OE1-NH1 3.29Å; E834-R861 IonicContact OE1-NH2 3.28Å; E834-R861 IonicContact OE2-CZ 3.8Å; E834-R861 IonicContact OE2-NH1 3.82Å; E834-R861 IonicContact OE2-NH2 2.64Å; E834-R861 PolarHBondContact OE2-NH2 2.97Å; I859-R861 HydrophobicContact CD1-CG 4.02Å; I859-R861 HydrophobicContact CG1-CG 4.47Å; R861-E868 PolarHBondContact N-O 3.29Å; R861-E868 PolarHBondContact O-N 3.41Å; R861-Y893 PolarHBondContact NH2-OH 3.4Å
862E78.5Confident84.1Confident141 Ų14171.3 Ų71.366%0.65938%0.378SS*.EExtended strand (participates in β ladder)trans-89.8124.1173.7-171.6179.1173.500109.1V866 I867E862-V866 WeakPolarHBondContact CA-O 3.35Å; E862-I867 HydrophobicContact CB-CG1 4.49Å; E862-I867 HydrophobicContact CG-CG1 4.42Å
863S69.4Low84.3Confident20 Ų2070.7 Ų70.714%0.1437%0.372CS..EExtended strand (participates in β ladder)trans-128.6113.7175.2-59.10000108.7G865 V866S863-G865 VanDerWaalsContact C-N 3.27Å; S863-G865 PolarHBondContact O-N 3.32Å; S863-V866 PolarHBondContact N-O 3.19Å; S863-V866 PolarHBondContact O-N 3.05Å
864Y68.6Low84.3Confident152 Ų15273.9 Ų73.960%0.59640%0.399SS*.THydrogen-bonded Turntrans51.939.2-179.2-57.2-80000114.5T780 F782 V866T780-Y864 WeakPolarHBondContact OG1-CE2 3.44Å; F782-Y864 HydrophobicContact CD2-CE2 4.26Å; F782-Y864 HydrophobicContact CE2-CD2 4.1Å; F782-Y864 HydrophobicContact CE2-CE1 4.37Å; F782-Y864 AromaticContact CE2-CE2 3.44Å; F782-Y864 HydrophobicContact CE2-CE2 3.44Å; F782-Y864 VanDerWaalsContact CE2-CE2 3.44Å; F782-Y864 AromaticContact CE2-CZ 3.61Å; F782-Y864 HydrophobicContact CZ-CE2 4.19Å; Y864-V866 VanDerWaalsContact C-N 3.35Å
865G68.6Low84.3Confident58 Ų5870.7 Ų70.760%0.59838%0.383SS*.THydrogen-bonded Turntrans83.63.9179.300000115.1S863S863-G865 VanDerWaalsContact C-N 3.27Å; S863-G865 PolarHBondContact O-N 3.32Å
866V76.9Confident84.1Confident85 Ų8567.7 Ų67.752%0.51537%0.368SS..EExtended strand (participates in β ladder)trans-106.6123.8172.6-176.60000109.1E862 S863 Y864 E868E862-V866 WeakPolarHBondContact CA-O 3.35Å; S863-V866 PolarHBondContact N-O 3.19Å; S863-V866 PolarHBondContact O-N 3.05Å; Y864-V866 VanDerWaalsContact C-N 3.35Å; V866-E868 HydrophobicContact CG1-CG 4.24Å
867I82.8Confident83.9Confident119 Ų11967.6 Ų67.661%0.6137%0.367SS*.EExtended strand (participates in β ladder)trans-85.8112174.4-58.4174.3000108.3C860 E862C860-I867 HydrophobicContact CB-CG2 3.95Å; E862-I867 HydrophobicContact CB-CG1 4.49Å; E862-I867 HydrophobicContact CG-CG1 4.42Å
868E84.4Confident83.6Confident81 Ų8174.1 Ų74.138%0.37940%0.402SS..EExtended strand (participates in β ladder)trans-104134.2174.6-67.7-168167.600111.1C860 R861 V866 K870C860-E868 WeakPolarHBondContact CA-O 3.47Å; R861-E868 PolarHBondContact N-O 3.29Å; R861-E868 PolarHBondContact O-N 3.41Å; V866-E868 HydrophobicContact CG1-CG 4.24Å; E868-K870 WeakPolarHBondContact OE2-CE 3.48Å; E868-K870 IonicContact OE2-NZ 3.65Å; E868-K870 PolarHBondContact OE2-NZ 3.14Å
869Q86.1Confident83.6Confident128 Ų12875.3 Ų75.360%0.59841%0.409SS*.EExtended strand (participates in β ladder)trans-87.1116.9171.7-168.3179.210.100109.7T858 I859T858-Q869 HydrophobicContact CG2-CG 4.5Å; T858-Q869 PolarHBondContact OG1-NE2 3.49Å; I859-Q869 CarbonylContact O-C 3.45Å; I859-Q869 WeakPolarHBondContact O-CA 3.14Å
870K87.9Confident83.6Confident67 Ų6778 Ų7829%0.29143%0.426SS..EExtended strand (participates in β ladder)trans-104.9132.2-179.6-60.8-73.5-178.2-173.60109.7T858 I859 E868 Y896T858-K870 CarbonylContact C-O 3.57Å; T858-K870 WeakPolarHBondContact CA-O 3.46Å; I859-K870 HydrophobicContact CG1-CB 3.98Å; I859-K870 PolarHBondContact N-O 3.05Å; I859-K870 PolarHBondContact O-N 3.09Å; E868-K870 WeakPolarHBondContact OE2-CE 3.48Å; E868-K870 IonicContact OE2-NZ 3.65Å; E868-K870 PolarHBondContact OE2-NZ 3.14Å; K870-Y896 HydrophobicContact CB-CE2 4.08Å; K870-Y896 HydrophobicContact CG-CE2 4.45Å; K870-Y896 WeakPolarHBondContact CG-OH 3.4Å
871K90.9Very high83.8Confident113 Ų11373.7 Ų73.749%0.49140%0.397SS..EExtended strand (participates in β ladder)trans-85.9126.2177.3-56.2-174.3-179.7-164.30109.3T858 D877T858-K871 HydrophobicContact CG2-CG 4.2Å; K871-D877 WeakPolarHBondContact CE-OD1 3.47Å; K871-D877 IonicContact NZ-OD1 3.82Å; K871-D877 PolarHBondContact NZ-OD1 2.87Å; K871-D877 IonicContact NZ-OD2 2.71Å; K871-D877 PolarHBondContact NZ-OD2 3.39Å
872L90Very high84.1Confident12 Ų1273.6 Ų73.66%0.06340%0.401CS..SBendtrans-76.2-32.7179.8-62.9179.9000112.1F857 I859 F889 A892 Y893 Y896F857-L872 PolarHBondContact O-N 3.09Å; I859-L872 HydrophobicContact CD1-CD2 4.05Å; I859-L872 HydrophobicContact CG1-CD2 4.09Å; I859-L872 HydrophobicContact CG2-CD1 3.88Å; I859-L872 HydrophobicContact CG2-CD2 3.86Å; I859-L872 HydrophobicContact CG2-CG 4Å; L872-F889 HydrophobicContact CD1-CD2 3.95Å; L872-F889 HydrophobicContact CD1-CE2 3.62Å; L872-F889 HydrophobicContact CD1-CZ 4.29Å; L872-A892 HydrophobicContact CB-CB 4.06Å; L872-A892 HydrophobicContact CD1-CB 4.45Å; L872-Y893 HydrophobicContact CD1-CD2 4.36Å; L872-Y896 HydrophobicContact CD2-CD2 4.28Å; L872-Y896 HydrophobicContact CD2-CG 3.88Å
873I89.1Confident84.4Confident54 Ų5470.6 Ų70.628%0.27739%0.386SS..SBendtrans-130.2159.5175.565.1176.8000110.3F857 G875 G876 V879 A892F857-I873 HydrophobicContact CB-CD1 3.94Å; F857-I873 HydrophobicContact CB-CG1 3.76Å; F857-I873 HydrophobicContact CD1-CD1 3.56Å; F857-I873 HydrophobicContact CD1-CG1 3.89Å; F857-I873 HydrophobicContact CD1-CG2 3.99Å; F857-I873 HydrophobicContact CD2-CD1 4.41Å; F857-I873 HydrophobicContact CE1-CD1 4.09Å; F857-I873 HydrophobicContact CG-CD1 3.73Å; F857-I873 HydrophobicContact CG-CG1 4.05Å; I873-G875 PolarHBondContact O-N 3.27Å; I873-G876 PolarHBondContact O-N 3.26Å; I873-V879 HydrophobicContact CD1-CB 4.42Å; I873-V879 HydrophobicContact CD1-CG1 4.5Å; I873-V879 HydrophobicContact CD1-CG2 4.2Å; I873-A892 HydrophobicContact CG2-CB 4.24Å
874P87.1Confident85.3Confident135 Ų13576.9 Ų76.988%0.87742%0.418SS*.THydrogen-bonded Turntrans-56.8120.7173.6-23.334.3000111.2G876P874-G876 VanDerWaalsContact C-N 3.31Å; P874-G876 PolarHBondContact O-N 3.08Å
875G86.4Confident86.4Confident33 Ų3370.8 Ų70.834%0.3440%0.396SS..THydrogen-bonded Turntrans73.516.6-177.600000115.3I873 D877 N878I873-G875 PolarHBondContact O-N 3.27Å; G875-D877 WeakPolarHBondContact CA-OD1 3.43Å; G875-D877 PolarHBondContact O-N 2.93Å; G875-N878 PolarHBondContact O-N 3.44Å
876G85.8Confident87.4Confident0 Ų070.4 Ų70.40%038%0.376CS..G310 helixtrans-60.8-14.1-176.500000115.8F857 I873 P874 N878 V879F857-G876 PolarHBondContact N-O 3.22Å; I873-G876 PolarHBondContact O-N 3.26Å; P874-G876 VanDerWaalsContact C-N 3.31Å; P874-G876 PolarHBondContact O-N 3.08Å; G876-N878 PolarHBondContact O-N 3.39Å; G876-V879 PolarHBondContact O-N 3.49Å
877D88Confident88.2Confident56 Ų5670.9 Ų70.930%0.29937%0.373SS..G310 helixtrans-62.2-26.7170.345.9-41.2000113.5N856 T858 K871 G875N856-D877 PolarHBondContact ND2-O 3.16Å; T858-D877 HydrophobicContact CG2-CB 4.18Å; K871-D877 WeakPolarHBondContact CE-OD1 3.47Å; K871-D877 IonicContact NZ-OD1 3.82Å; K871-D877 PolarHBondContact NZ-OD1 2.87Å; K871-D877 IonicContact NZ-OD2 2.71Å; K871-D877 PolarHBondContact NZ-OD2 3.39Å; G875-D877 WeakPolarHBondContact CA-OD1 3.43Å; G875-D877 PolarHBondContact O-N 2.93Å
878N86.8Confident88.6Confident141 Ų14171.3 Ų71.375%0.75437%0.372SS*.G310 helixtrans-101.91-179.7-62-40000113.7G875 G876G875-N878 PolarHBondContact O-N 3.44Å; G876-N878 PolarHBondContact O-N 3.39Å
879V90.1Very high89.1Confident51 Ų5167.7 Ų67.731%0.30936%0.355SS..  trans-107111.4-178-175.30000108.7N856 F857 I873 G876N856-V879 WeakPolarHBondContact CA-O 3.29Å; N856-V879 WeakPolarHBondContact CB-O 3.16Å; F857-V879 HydrophobicContact CD2-CB 3.96Å; F857-V879 HydrophobicContact CD2-CG1 3.62Å; F857-V879 HydrophobicContact CE2-CG1 3.74Å; F857-V879 HydrophobicContact CG-CG1 4.45Å; F857-V879 PolarHBondContact N-O 3.08Å; F857-V879 VanDerWaalsContact N-O 3.15Å; I873-V879 HydrophobicContact CD1-CB 4.42Å; I873-V879 HydrophobicContact CD1-CG1 4.5Å; I873-V879 HydrophobicContact CD1-CG2 4.2Å; G876-V879 PolarHBondContact O-N 3.49Å
880T89.9Confident89.4Confident66 Ų6661.6 Ų61.641%0.40533%0.327SS..BIsolated β-bridgetrans-76.9145.5174.749.40000110.8E850 N885E850-T880 WeakPolarHBondContact OE1-CB 3.29Å; E850-T880 PolarHBondContact OE1-OG1 3.27Å; T880-N885 PolarHBondContact O-ND2 2.99Å
881V90Very high89.7Confident2 Ų262.7 Ų62.71%0.01234%0.336CS..  trans-85114.3175.7-177.70000109.2L841 E850 L855 F857 N885 R886 F889L841-V881 HydrophobicContact CD2-CG1 4.36Å; E850-V881 WeakPolarHBondContact CG-O 3.28Å; L855-V881 HydrophobicContact CB-CB 4.03Å; L855-V881 HydrophobicContact CB-CG2 3.81Å; L855-V881 WeakPolarHBondContact O-CG2 2.89Å; L855-V881 PolarHBondContact O-N 2.85Å; F857-V881 HydrophobicContact CD2-CG2 3.95Å; F857-V881 HydrophobicContact CE2-CG2 3.93Å; V881-N885 WeakPolarHBondContact CA-OD1 3.38Å; V881-R886 HydrophobicContact CG1-CB 4.18Å; V881-F889 HydrophobicContact CG1-CB 4.11Å; V881-F889 HydrophobicContact CG1-CG 4.25Å; V881-F889 HydrophobicContact CG2-CB 4.02Å; V881-F889 HydrophobicContact CG2-CD1 4.34Å; V881-F889 HydrophobicContact CG2-CD2 3.47Å; V881-F889 VanDerWaalsContact CG2-CD2 3.47Å; V881-F889 HydrophobicContact CG2-CE2 3.98Å; V881-F889 HydrophobicContact CG2-CG 3.67Å
882C88.3Confident89.8Confident31 Ų3158 Ų5821%0.20932%0.318CS..  trans-118.4178179.174.80000111.2E850 D884 N885 R886E850-C882 HydrophobicContact CG-CB 3.75Å; E850-C882 WeakPolarHBondContact OE1-CB 3.45Å; C882-D884 VanDerWaalsContact C-N 3.27Å; C882-D884 PolarHBondContact O-N 3.29Å; C882-N885 PolarHBondContact N-OD1 3.2Å; C882-N885 PolarHBondContact O-N 2.77Å; C882-N885 PolarHBondContact O-OD1 2.95Å; C882-N885 VanDerWaalsContact O-OD1 3.11Å; C882-N885 VanDerWaalsContact SG-CG 3.54Å; C882-R886 WeakPolarHBondContact O-CB 3.32Å; C882-R886 PolarHBondContact O-N 2.73Å
883K86.1Confident89.9Confident78 Ų7858.7 Ų58.734%0.33932%0.32SS..THydrogen-bonded Turntrans-59.7-35.3-178.2-173.8177.5171.4-171.20113.7E847 V849 R886E847-K883 IonicContact OE1-NZ 3.96Å; E847-K883 PolarHBondContact OE1-NZ 3.09Å; E847-K883 WeakPolarHBondContact OE2-CD 3.18Å; E847-K883 IonicContact OE2-NZ 3.37Å; E847-K883 PolarHBondContact OE2-NZ 2.71Å; V849-K883 HydrophobicContact CG2-CB 4.27Å; K883-R886 WeakPolarHBondContact O-CG 3.48Å
884D88Confident90.2Very high152 Ų15256.4 Ų56.481%0.81331%0.309SS*.THydrogen-bonded Turntrans-78.1-29.3-177.1-66.2-30.3000112.6C882C882-D884 VanDerWaalsContact C-N 3.27Å; C882-D884 PolarHBondContact O-N 3.29Å
885N90.9Very high90.5Very high24 Ų2453.8 Ų53.813%0.12829%0.287CS..THydrogen-bonded Turntrans-109.4-0.4-174.473.913000114.6F857 T880 V881 C882 Q887 E888 F889F857-N885 HydrophobicContact CZ-CB 4.33Å; T880-N885 PolarHBondContact O-ND2 2.99Å; V881-N885 WeakPolarHBondContact CA-OD1 3.38Å; C882-N885 PolarHBondContact N-OD1 3.2Å; C882-N885 PolarHBondContact O-N 2.77Å; C882-N885 PolarHBondContact O-OD1 2.95Å; C882-N885 VanDerWaalsContact O-OD1 3.11Å; C882-N885 VanDerWaalsContact SG-CG 3.54Å; N885-Q887 VanDerWaalsContact C-N 3.26Å; N885-Q887 PolarHBondContact O-N 2.82Å; N885-E888 WeakPolarHBondContact O-CA 3.45Å; N885-E888 WeakPolarHBondContact O-CB 3.43Å; N885-E888 PolarHBondContact O-N 3.41Å; N885-F889 PolarHBondContact O-N 3.45Å
886R90.6Very high90.7Very high51 Ų5153 Ų5319%0.19227%0.274CS..Hα-helixtrans-56.9-33.8179.665.2-174.8178.7170.82114.3L841 L842 Y844 V881 C882 K883 F889 V890L841-R886 HydrophobicContact CG-CB 4.45Å; L841-R886 PolarHBondContact O-NH1 2.87Å; L842-R886 HydrophobicContact CD2-CG 4.15Å; L842-R886 PolarHBondContact O-NH1 3.32Å; L842-R886 VanDerWaalsContact O-NH1 3.1Å; L842-R886 PolarHBondContact O-NH2 3.27Å; Y844-R886 PolarHBondContact O-NH1 2.82Å; V881-R886 HydrophobicContact CG1-CB 4.18Å; C882-R886 WeakPolarHBondContact O-CB 3.32Å; C882-R886 PolarHBondContact O-N 2.73Å; K883-R886 WeakPolarHBondContact O-CG 3.48Å; R886-F889 PolarHBondContact O-N 3.08Å; R886-V890 WeakPolarHBondContact O-CG2 3.45Å; R886-V890 PolarHBondContact O-N 3.21Å; R886-V890 VanDerWaalsContact O-N 3.1Å
887Q92.5Very high91Very high95 Ų9553.2 Ų53.244%0.44428%0.275SS..Hα-helixtrans-66.3-42.3174.5-174.663.752.100110.9L842 N885 F889 V890 D891L842-Q887 HydrophobicContact CD2-CB 4.45Å; N885-Q887 VanDerWaalsContact C-N 3.26Å; N885-Q887 PolarHBondContact O-N 2.82Å; Q887-F889 VanDerWaalsContact C-N 3.31Å; Q887-F889 PolarHBondContact O-N 3.44Å; Q887-V890 PolarHBondContact O-N 2.8Å; Q887-D891 PolarHBondContact NE2-OD1 3.19Å; Q887-D891 WeakPolarHBondContact O-CB 3.36Å; Q887-D891 PolarHBondContact O-N 3Å
888E92.8Very high91.2Very high127 Ų12750.7 Ų50.759%0.59326%0.262SS*.Hα-helixtrans-64.6-36.7177-58.1-177.4-178.200111.6F857 N885 A892F857-E888 HydrophobicContact CE1-CB 4.36Å; F857-E888 HydrophobicContact CZ-CB 4.32Å; N885-E888 WeakPolarHBondContact O-CA 3.45Å; N885-E888 WeakPolarHBondContact O-CB 3.43Å; N885-E888 PolarHBondContact O-N 3.41Å; E888-A892 WeakPolarHBondContact O-CB 3.38Å; E888-A892 PolarHBondContact O-N 3.18Å
889F93.5Very high91.4Very high6 Ų647.4 Ų47.43%0.02624%0.242CC..Hα-helixtrans-62-48.9173.9175.9-99.6000111.8L838 L841 L855 N856 F857 L872 V881 N885 R886 Q887 A892 Y893L838-F889 HydrophobicContact CD2-CD1 4.43Å; L838-F889 HydrophobicContact CD2-CE1 3.86Å; L841-F889 HydrophobicContact CD2-CD1 3.74Å; L841-F889 HydrophobicContact CD2-CE1 4.06Å; L855-F889 HydrophobicContact CD1-CE1 4.2Å; L855-F889 HydrophobicContact CD1-CZ 4.36Å; N856-F889 VanDerWaalsContact O-CE2 3.29Å; N856-F889 WeakPolarHBondContact O-CE2 3.24Å; F857-F889 HydrophobicContact CD1-CB 4.46Å; F857-F889 HydrophobicContact CD1-CD2 4.09Å; F857-F889 HydrophobicContact CD2-CD2 4.16Å; F857-F889 VanDerWaalsContact CE1-CA 3.45Å; F857-F889 HydrophobicContact CE1-CB 3.89Å; F857-F889 HydrophobicContact CE1-CD2 4.35Å; F857-F889 HydrophobicContact CE2-CB 4.13Å; F857-F889 HydrophobicContact CE2-CD2 4.4Å; F857-F889 HydrophobicContact CG-CD2 4.01Å; F857-F889 HydrophobicContact CZ-CB 3.7Å; L872-F889 HydrophobicContact CD1-CD2 3.95Å; L872-F889 HydrophobicContact CD1-CE2 3.62Å; L872-F889 HydrophobicContact CD1-CZ 4.29Å; V881-F889 HydrophobicContact CG1-CB 4.11Å; V881-F889 HydrophobicContact CG1-CG 4.25Å; V881-F889 HydrophobicContact CG2-CB 4.02Å; V881-F889 HydrophobicContact CG2-CD1 4.34Å; V881-F889 HydrophobicContact CG2-CD2 3.47Å; V881-F889 VanDerWaalsContact CG2-CD2 3.47Å; V881-F889 HydrophobicContact CG2-CE2 3.98Å; V881-F889 HydrophobicContact CG2-CG 3.67Å; N885-F889 PolarHBondContact O-N 3.45Å; R886-F889 PolarHBondContact O-N 3.08Å; Q887-F889 VanDerWaalsContact C-N 3.31Å; Q887-F889 PolarHBondContact O-N 3.44Å; F889-A892 PolarHBondContact O-N 3.32Å; F889-Y893 HydrophobicContact CZ-CD2 4.33Å; F889-Y893 WeakPolarHBondContact O-CB 3.38Å; F889-Y893 PolarHBondContact O-N 2.92Å
890V93.8Very high91.4Very high0 Ų049 Ų490%025%0.248CC..Hα-helixtrans-62.6-44.5178.2173.90000111L824 L838 L841 L842 R886 Q887 A892 Y893 V894L824-V890 HydrophobicContact CB-CG1 4.48Å; L824-V890 HydrophobicContact CD1-CG1 3.98Å; L824-V890 HydrophobicContact CD2-CG1 4.17Å; L824-V890 HydrophobicContact CG-CG1 4.44Å; L838-V890 HydrophobicContact CB-CG1 4.39Å; L838-V890 HydrophobicContact CB-CG2 4.17Å; L838-V890 HydrophobicContact CD2-CG2 4.29Å; L841-V890 HydrophobicContact CD2-CG2 4.39Å; L842-V890 HydrophobicContact CD1-CB 4.48Å; L842-V890 HydrophobicContact CD1-CG1 4.24Å; L842-V890 HydrophobicContact CD1-CG2 4.24Å; L842-V890 HydrophobicContact CD2-CB 4.36Å; L842-V890 HydrophobicContact CD2-CG2 3.82Å; L842-V890 HydrophobicContact CG-CG2 3.92Å; R886-V890 WeakPolarHBondContact O-CG2 3.45Å; R886-V890 PolarHBondContact O-N 3.21Å; R886-V890 VanDerWaalsContact O-N 3.1Å; Q887-V890 PolarHBondContact O-N 2.8Å; V890-A892 VanDerWaalsContact C-N 3.33Å; V890-A892 PolarHBondContact O-N 3.48Å; V890-Y893 PolarHBondContact O-N 2.92Å; V890-V894 HydrophobicContact CG1-CG2 4.4Å; V890-V894 WeakPolarHBondContact O-CG2 3.36Å; V890-V894 PolarHBondContact O-N 2.84Å
891D93.1Very high91.3Very high89 Ų8946.6 Ų46.648%0.47623%0.234SC..Hα-helixtrans-62.8-40.2177.7-69.2-14.1000111.5Q887 N895Q887-D891 PolarHBondContact NE2-OD1 3.19Å; Q887-D891 WeakPolarHBondContact O-CB 3.36Å; Q887-D891 PolarHBondContact O-N 3Å; D891-N895 WeakPolarHBondContact O-CB 3.43Å; D891-N895 PolarHBondContact O-N 2.71Å
892A92.5Very high91.3Very high14 Ų1446.5 Ų46.512%0.11623%0.233CC..Hα-helixtrans-67.2-38.217600000112.3F857 L872 I873 E888 F889 V890 Y896F857-A892 HydrophobicContact CD1-CB 4.48Å; L872-A892 HydrophobicContact CB-CB 4.06Å; L872-A892 HydrophobicContact CD1-CB 4.45Å; I873-A892 HydrophobicContact CG2-CB 4.24Å; E888-A892 WeakPolarHBondContact O-CB 3.38Å; E888-A892 PolarHBondContact O-N 3.18Å; F889-A892 PolarHBondContact O-N 3.32Å; V890-A892 VanDerWaalsContact C-N 3.33Å; V890-A892 PolarHBondContact O-N 3.48Å; A892-Y896 WeakPolarHBondContact O-CB 3.4Å; A892-Y896 PolarHBondContact O-N 3.11Å
893Y93.7Very high91.4Very high28 Ų2849.5 Ų49.511%0.1124%0.244CC..Hα-helixtrans-63-51.3175.2-167.3-68.2000111L827 E834 L838 I859 R861 L872 F889 V890 N895 Y896 V897L827-Y893 HydrophobicContact CD2-CD1 3.97Å; L827-Y893 HydrophobicContact CD2-CE1 3.99Å; E834-Y893 PolarHBondContact OE2-OH 3.45Å; L838-Y893 HydrophobicContact CD1-CD1 3.7Å; L838-Y893 HydrophobicContact CD1-CD2 4.32Å; L838-Y893 HydrophobicContact CD1-CE1 4.12Å; L838-Y893 HydrophobicContact CD1-CG 3.83Å; L838-Y893 HydrophobicContact CD2-CD2 4.38Å; I859-Y893 HydrophobicContact CB-CE2 4.3Å; I859-Y893 HydrophobicContact CG2-CD2 3.5Å; I859-Y893 VanDerWaalsContact CG2-CD2 3.5Å; I859-Y893 HydrophobicContact CG2-CE2 3.39Å; R861-Y893 PolarHBondContact NH2-OH 3.4Å; L872-Y893 HydrophobicContact CD1-CD2 4.36Å; F889-Y893 HydrophobicContact CZ-CD2 4.33Å; F889-Y893 WeakPolarHBondContact O-CB 3.38Å; F889-Y893 PolarHBondContact O-N 2.92Å; V890-Y893 PolarHBondContact O-N 2.92Å; Y893-N895 VanDerWaalsContact C-N 3.32Å; Y893-N895 PolarHBondContact O-N 3.4Å; Y893-Y896 WeakPolarHBondContact O-CB 3.32Å; Y893-Y896 PolarHBondContact O-N 3.39Å; Y893-Y896 VanDerWaalsContact O-N 3.13Å; Y893-V897 HydrophobicContact CD1-CG2 3.97Å; Y893-V897 HydrophobicContact CE1-CG2 3.75Å; Y893-V897 PolarHBondContact O-N 2.97Å; Y893-V897 VanDerWaalsContact O-N 3.09Å
894V93.8Very high91.5Very high6 Ų651.9 Ų51.94%0.03626%0.256CS..Hα-helixtrans-60.8-43178.4172.60000110.5L824 L827 V890 Y896 V897 F898L824-V894 HydrophobicContact CD1-CG2 4.4Å; L827-V894 HydrophobicContact CD2-CG2 4.17Å; V890-V894 HydrophobicContact CG1-CG2 4.4Å; V890-V894 WeakPolarHBondContact O-CG2 3.36Å; V890-V894 PolarHBondContact O-N 2.84Å; V894-Y896 VanDerWaalsContact C-N 3.33Å; V894-Y896 PolarHBondContact O-N 3.29Å; V894-V897 PolarHBondContact O-N 2.67Å; V894-F898 HydrophobicContact CG1-CD2 3.8Å; V894-F898 HydrophobicContact CG1-CE2 4.21Å; V894-F898 WeakPolarHBondContact O-CD2 3.25Å; V894-F898 PolarHBondContact O-N 3.04Å
895N93.3Very high91.5Very high79 Ų7946.5 Ų46.542%0.42222%0.224SC..Hα-helixtrans-63.8-37.2175.7-176.160.9000112D891 Y893 Q899 I900D891-N895 WeakPolarHBondContact O-CB 3.43Å; D891-N895 PolarHBondContact O-N 2.71Å; Y893-N895 VanDerWaalsContact C-N 3.32Å; Y893-N895 PolarHBondContact O-N 3.4Å; N895-Q899 WeakPolarHBondContact O-CA 3.1Å; N895-Q899 WeakPolarHBondContact O-CB 3.4Å; N895-Q899 PolarHBondContact O-N 2.8Å; N895-Q899 WeakPolarHBondContact OD1-CB 3.41Å; N895-I900 PolarHBondContact O-N 2.93Å
896Y92.1Very high91.5Very high17 Ų1746.3 Ų46.37%0.06722%0.222CC..Iπ-helixtrans-60.9-53.5175.1176.5-87.3000111.3I859 K870 L872 A892 Y893 V894 F898 I900 S901I859-Y896 HydrophobicContact CD1-CD1 3.45Å; I859-Y896 VanDerWaalsContact CD1-CD1 3.45Å; I859-Y896 HydrophobicContact CD1-CE1 3.52Å; I859-Y896 HydrophobicContact CD1-CG 4.15Å; K870-Y896 HydrophobicContact CB-CE2 4.08Å; K870-Y896 HydrophobicContact CG-CE2 4.45Å; K870-Y896 WeakPolarHBondContact CG-OH 3.4Å; L872-Y896 HydrophobicContact CD2-CD2 4.28Å; L872-Y896 HydrophobicContact CD2-CG 3.88Å; A892-Y896 WeakPolarHBondContact O-CB 3.4Å; A892-Y896 PolarHBondContact O-N 3.11Å; Y893-Y896 WeakPolarHBondContact O-CB 3.32Å; Y893-Y896 PolarHBondContact O-N 3.39Å; Y893-Y896 VanDerWaalsContact O-N 3.13Å; V894-Y896 VanDerWaalsContact C-N 3.33Å; V894-Y896 PolarHBondContact O-N 3.29Å; Y896-F898 PolarHBondContact O-N 3.43Å; Y896-I900 HydrophobicContact CD2-CB 4.1Å; Y896-I900 HydrophobicContact CD2-CG2 4.16Å; Y896-I900 HydrophobicContact CE2-CG2 4.43Å; Y896-I900 PolarHBondContact O-N 3.29Å; Y896-S901 PolarHBondContact O-N 3.03Å; Y896-S901 PolarHBondContact O-OG 3.37Å
897V91.2Very high91.6Very high5 Ų546.8 Ų46.83%0.0323%0.231CC..Iπ-helixtrans-62.9-43.3-175.3173.80000112.7W776 L827 L830 Y893 V894 S901W776-V897 PolarHBondContact NE1-O 3.22Å; L827-V897 HydrophobicContact CD1-CG1 4.1Å; L830-V897 HydrophobicContact CD2-CG1 4.28Å; Y893-V897 HydrophobicContact CD1-CG2 3.97Å; Y893-V897 HydrophobicContact CE1-CG2 3.75Å; Y893-V897 PolarHBondContact O-N 2.97Å; Y893-V897 VanDerWaalsContact O-N 3.09Å; V894-V897 PolarHBondContact O-N 2.67Å; V897-S901 PolarHBondContact O-OG 3.16Å
898F92.6Very high91.4Very high2 Ų242.2 Ų42.21%0.00921%0.21CC..Iπ-helixtrans-96.3-18.8-173.5-68.7-61.1000114.4W776 A812 K816 P822 D826 L827 L830 V894 Y896 V902W776-F898 HydrophobicContact CD2-CD1 4.49Å; W776-F898 AromaticContact CE2-CD1 3.79Å; W776-F898 AromaticContact CH2-CD1 3.84Å; W776-F898 HydrophobicContact CH2-CD1 3.84Å; W776-F898 HydrophobicContact CH2-CE1 4.4Å; W776-F898 HydrophobicContact CZ2-CB 4.47Å; W776-F898 AromaticContact CZ2-CD1 3.47Å; W776-F898 HydrophobicContact CZ2-CD1 3.47Å; W776-F898 VanDerWaalsContact CZ2-CD1 3.47Å; W776-F898 HydrophobicContact CZ2-CE1 4.22Å; W776-F898 HydrophobicContact CZ2-CG 4.44Å; W776-F898 HydrophobicContact CZ3-CD1 4.48Å; A812-F898 HydrophobicContact CB-CD1 3.6Å; A812-F898 HydrophobicContact CB-CE1 3.35Å; A812-F898 HydrophobicContact CB-CG 4.35Å; A812-F898 HydrophobicContact CB-CZ 3.92Å; K816-F898 VanDerWaalsContact CE-O 3.3Å; K816-F898 WeakPolarHBondContact CE-O 3.2Å; K816-F898 PolarHBondContact NZ-O 3.15Å; P822-F898 HydrophobicContact CB-CB 4.06Å; P822-F898 HydrophobicContact CB-CD2 3.67Å; P822-F898 HydrophobicContact CB-CE2 4.22Å; P822-F898 HydrophobicContact CB-CG 3.85Å; P822-F898 HydrophobicContact CG-CB 3.97Å; P822-F898 HydrophobicContact CG-CD2 4.47Å; P822-F898 HydrophobicContact CG-CG 4.16Å; D826-F898 HydrophobicContact CB-CE2 4Å; D826-F898 HydrophobicContact CB-CZ 4Å; L827-F898 HydrophobicContact CB-CE2 3.98Å; L827-F898 HydrophobicContact CB-CZ 4.39Å; L827-F898 HydrophobicContact CD1-CE2 4.31Å; L827-F898 HydrophobicContact CD1-CZ 4.38Å; L830-F898 HydrophobicContact CB-CZ 4.3Å; L830-F898 HydrophobicContact CD2-CE1 3.75Å; L830-F898 HydrophobicContact CD2-CZ 4.07Å; V894-F898 HydrophobicContact CG1-CD2 3.8Å; V894-F898 HydrophobicContact CG1-CE2 4.21Å; V894-F898 WeakPolarHBondContact O-CD2 3.25Å; V894-F898 PolarHBondContact O-N 3.04Å; Y896-F898 PolarHBondContact O-N 3.43Å; F898-V902 WeakPolarHBondContact O-CG2 3.28Å
899Q90.2Very high91.4Very high72 Ų7236.3 Ų36.334%0.33618%0.182SC..Iπ-helixtrans-122.3-54.7-175.3-174.866.821.300113.1N895 H903N895-Q899 WeakPolarHBondContact O-CA 3.1Å; N895-Q899 WeakPolarHBondContact O-CB 3.4Å; N895-Q899 PolarHBondContact O-N 2.8Å; N895-Q899 WeakPolarHBondContact OD1-CB 3.41Å; Q899-H903 PolarHBondContact NE2-ND1 3.24Å; Q899-H903 WeakPolarHBondContact O-CA 3.38Å; Q899-H903 VanDerWaalsContact O-CB 3.25Å; Q899-H903 WeakPolarHBondContact O-CB 3.46Å; Q899-H903 PolarHBondContact O-N 2.71Å
900I90Very high91.3Very high85 Ų8536.8 Ų36.844%0.43619%0.186SC..Iπ-helixtrans-74.4-50.7-170.6-57.4175.7000111.1N895 Y896 V902N895-I900 PolarHBondContact O-N 2.93Å; Y896-I900 HydrophobicContact CD2-CB 4.1Å; Y896-I900 HydrophobicContact CD2-CG2 4.16Å; Y896-I900 HydrophobicContact CE2-CG2 4.43Å; Y896-I900 PolarHBondContact O-N 3.29Å; I900-V902 PolarHBondContact O-N 3.37Å
901S89.3Confident91.1Very high16 Ų1639.3 Ų39.311%0.11220%0.203CC..THydrogen-bonded Turntrans-68.6-24.9-172.372.90000113.4D779 Y896 V897D779-S901 WeakPolarHBondContact OD1-CB 3.35Å; D779-S901 PolarHBondContact OD1-OG 3.33Å; Y896-S901 PolarHBondContact O-N 3.03Å; Y896-S901 PolarHBondContact O-OG 3.37Å; V897-S901 PolarHBondContact O-OG 3.16Å
902V89.8Confident90.8Very high0 Ų035 Ų350%018%0.181CC..THydrogen-bonded Turntrans-115.39.7-174.4-57.20000113.4W776 F777 F898 I900 E904 W905 Y906W776-V902 HydrophobicContact CZ2-CG2 3.99Å; F777-V902 HydrophobicContact CB-CB 3.86Å; F777-V902 HydrophobicContact CB-CG1 3.56Å; F777-V902 HydrophobicContact CG-CB 4.43Å; F898-V902 WeakPolarHBondContact O-CG2 3.28Å; I900-V902 PolarHBondContact O-N 3.37Å; V902-E904 PolarHBondContact O-N 3.09Å; V902-W905 PolarHBondContact O-N 3.46Å; V902-Y906 WeakPolarHBondContact O-CB 3.19Å; V902-Y906 PolarHBondContact O-N 3.27Å
903H89.3Confident90.7Very high94 Ų9434.4 Ų34.444%0.43518%0.175SC..Hα-helixtrans-53.5-53.7-168.9-172.957.3000112.7Q899 W905 Y906 T907Q899-H903 PolarHBondContact NE2-ND1 3.24Å; Q899-H903 WeakPolarHBondContact O-CA 3.38Å; Q899-H903 VanDerWaalsContact O-CB 3.25Å; Q899-H903 WeakPolarHBondContact O-CB 3.46Å; Q899-H903 PolarHBondContact O-N 2.71Å; H903-W905 PolarHBondContact O-N 3.35Å; H903-Y906 PolarHBondContact O-N 2.75Å; H903-T907 WeakPolarHBondContact O-CB 3.02Å; H903-T907 PolarHBondContact O-N 3.29Å; H903-T907 PolarHBondContact O-OG1 3.29Å
904E88.1Confident90.4Very high128 Ų12836.8 Ų36.860%0.59819%0.189SC*.Hα-helixtrans-63-45.8-175.8-61.7-173.4165.200111.8H785 V902 T907 A908H785-E904 PolarHBondContact CE1-O 2.99Å; H785-E904 VanDerWaalsContact CE1-O 3.3Å; V902-E904 PolarHBondContact O-N 3.09Å; E904-T907 PolarHBondContact O-N 3.23Å; E904-A908 PolarHBondContact O-N 3.39Å
905W89.1Confident90Very high38 Ų3839.2 Ų39.214%0.14420%0.199CC..Hα-helixtrans-67.6-43.2-179-43.6129.6000112F777 C781 F788 V902 H903 A908 F909F777-W905 HydrophobicContact CD1-CB 3.94Å; C781-W905 HydrophobicContact CB-CH2 4.41Å; C781-W905 HydrophobicContact CB-CZ2 3.99Å; F788-W905 HydrophobicContact CD1-CB 4.21Å; F788-W905 HydrophobicContact CD2-CB 4.28Å; F788-W905 HydrophobicContact CD2-CD2 4.37Å; F788-W905 AromaticContact CD2-CE3 3.69Å; F788-W905 HydrophobicContact CD2-CE3 3.69Å; F788-W905 HydrophobicContact CD2-CZ3 4.44Å; F788-W905 HydrophobicContact CE1-CB 4.11Å; F788-W905 HydrophobicContact CE2-CB 4.17Å; F788-W905 AromaticContact CE2-CD2 3.85Å; F788-W905 HydrophobicContact CE2-CD2 3.85Å; F788-W905 AromaticContact CE2-CE3 3.44Å; F788-W905 HydrophobicContact CE2-CE3 3.44Å; F788-W905 VanDerWaalsContact CE2-CE3 3.44Å; F788-W905 HydrophobicContact CE2-CG 4.16Å; F788-W905 HydrophobicContact CE2-CZ3 4.1Å; F788-W905 HydrophobicContact CG-CB 4.29Å; F788-W905 HydrophobicContact CZ-CB 4.07Å; F788-W905 HydrophobicContact CZ-CD2 4.25Å; F788-W905 HydrophobicContact CZ-CE3 4.28Å; F788-W905 HydrophobicContact CZ-CG 4.16Å; V902-W905 PolarHBondContact O-N 3.46Å; H903-W905 PolarHBondContact O-N 3.35Å; W905-A908 WeakPolarHBondContact O-CB 3.46Å; W905-A908 PolarHBondContact O-N 3.35Å; W905-F909 PolarHBondContact O-N 3.47Å
906Y91.3Very high89.5Confident20 Ų2035.4 Ų35.48%0.07818%0.179CC..Hα-helixtrans-64.5-42.5177.5173.1-98.5000111.4F777 L813 K816 L817 V902 H903 A908 F909 S910F777-Y906 HydrophobicContact CE2-CD2 4.2Å; F777-Y906 HydrophobicContact CZ-CD2 4.35Å; L813-Y906 HydrophobicContact CD1-CD2 4.35Å; L813-Y906 HydrophobicContact CD1-CE2 4.09Å; K816-Y906 HydrophobicContact CB-CE1 4.07Å; K816-Y906 HydrophobicContact CB-CE2 3.63Å; K816-Y906 VanDerWaalsContact CB-OH 3.24Å; K816-Y906 WeakPolarHBondContact CB-OH 3.35Å; K816-Y906 HydrophobicContact CD-CD2 4.21Å; K816-Y906 HydrophobicContact CD-CE2 4.1Å; K816-Y906 VanDerWaalsContact CE-CE2 3.48Å; K816-Y906 PolarHBondContact O-OH 3.48Å; L817-Y906 WeakPolarHBondContact CA-OH 3.3Å; L817-Y906 PolarHBondContact N-OH 3.4Å; L817-Y906 VanDerWaalsContact N-OH 3.12Å; V902-Y906 WeakPolarHBondContact O-CB 3.19Å; V902-Y906 PolarHBondContact O-N 3.27Å; H903-Y906 PolarHBondContact O-N 2.75Å; Y906-A908 VanDerWaalsContact C-N 3.31Å; Y906-A908 PolarHBondContact O-N 3.07Å; Y906-F909 PolarHBondContact O-N 3.02Å; Y906-S910 WeakPolarHBondContact O-CB 3.36Å; Y906-S910 PolarHBondContact O-N 3.08Å; Y906-S910 PolarHBondContact O-OG 2.97Å
907T90.9Very high88.8Confident61 Ų6134.8 Ų34.837%0.37418%0.177SC..Hα-helixtrans-63.3-37.6178.5-66.30000112H903 E904 S910 S911H903-T907 WeakPolarHBondContact O-CB 3.02Å; H903-T907 PolarHBondContact O-N 3.29Å; H903-T907 PolarHBondContact O-OG1 3.29Å; E904-T907 PolarHBondContact O-N 3.23Å; T907-S910 WeakPolarHBondContact CA-OG 3.42Å; T907-S910 PolarHBondContact O-OG 3.47Å; T907-S911 VanDerWaalsContact O-CB 3.28Å; T907-S911 WeakPolarHBondContact O-CB 3.49Å; T907-S911 PolarHBondContact O-N 3.23Å; T907-S911 PolarHBondContact O-OG 3.23Å
908A89.9Confident87.8Confident0 Ų035.4 Ų35.40%019%0.185CC..Hα-helixtrans-60.1-52.8171.900000111.1H785 F788 H789 E904 W905 Y906 S910 S911 G912H785-A908 WeakPolarHBondContact NE2-CB 3.35Å; F788-A908 HydrophobicContact CB-CB 3.69Å; H789-A908 WeakPolarHBondContact CA-O 3.49Å; H789-A908 PolarHBondContact ND1-O 3.09Å; E904-A908 PolarHBondContact O-N 3.39Å; W905-A908 WeakPolarHBondContact O-CB 3.46Å; W905-A908 PolarHBondContact O-N 3.35Å; Y906-A908 VanDerWaalsContact C-N 3.31Å; Y906-A908 PolarHBondContact O-N 3.07Å; A908-S910 PolarHBondContact O-N 3.18Å; A908-S911 PolarHBondContact O-N 2.89Å; A908-S911 PolarHBondContact O-OG 3.35Å; A908-G912 PolarHBondContact O-N 3.18Å; A908-G912 VanDerWaalsContact O-N 3.14Å
909F91.5Very high87.1Confident2 Ų237.4 Ų37.41%0.00921%0.206CC..Hα-helixtrans-59.3-48.6178.7174.3-89.7000112.5F777 F788 I791 G792 L813 L817 W905 Y906 S911 G912 F913F777-F909 HydrophobicContact CE1-CB 4Å; F777-F909 HydrophobicContact CE1-CG 4.27Å; F777-F909 HydrophobicContact CZ-CB 4.01Å; F777-F909 HydrophobicContact CZ-CD1 4.11Å; F777-F909 HydrophobicContact CZ-CD2 4.41Å; F777-F909 AromaticContact CZ-CG 3.92Å; F777-F909 HydrophobicContact CZ-CG 3.92Å; F788-F909 HydrophobicContact CB-CB 4.48Å; F788-F909 VanDerWaalsContact O-CA 3.3Å; F788-F909 WeakPolarHBondContact O-CA 3.42Å; I791-F909 HydrophobicContact CB-CD2 4.35Å; I791-F909 HydrophobicContact CG2-CD2 4.09Å; I791-F909 HydrophobicContact CG2-CE2 3.87Å; G792-F909 WeakPolarHBondContact CA-O 3.14Å; L813-F909 HydrophobicContact CD1-CD1 4.21Å; L813-F909 HydrophobicContact CD1-CE1 3.78Å; L813-F909 HydrophobicContact CD1-CZ 4.49Å; L813-F909 HydrophobicContact CD2-CE1 4.31Å; L813-F909 HydrophobicContact CD2-CZ 4.28Å; L813-F909 HydrophobicContact CG-CE1 4.43Å; L817-F909 HydrophobicContact CD1-CE1 4.39Å; L817-F909 HydrophobicContact CD2-CE1 4.19Å; W905-F909 PolarHBondContact O-N 3.47Å; Y906-F909 PolarHBondContact O-N 3.02Å; F909-S911 PolarHBondContact O-N 2.81Å; F909-G912 PolarHBondContact O-N 2.95Å; F909-F913 WeakPolarHBondContact O-CB 3.34Å; F909-F913 PolarHBondContact O-N 2.96Å
910S91.4Very high86.6Confident17 Ų1738.8 Ų38.812%0.11921%0.211CC..Hα-helixtrans-65.7-38.5-177.7690000111.9Y906 T907 A908 F913 L914Y906-S910 WeakPolarHBondContact O-CB 3.36Å; Y906-S910 PolarHBondContact O-N 3.08Å; Y906-S910 PolarHBondContact O-OG 2.97Å; T907-S910 WeakPolarHBondContact CA-OG 3.42Å; T907-S910 PolarHBondContact O-OG 3.47Å; A908-S910 PolarHBondContact O-N 3.18Å; S910-F913 PolarHBondContact O-N 2.84Å; S910-L914 WeakPolarHBondContact O-CB 3.49Å; S910-L914 VanDerWaalsContact O-CG 3.27Å; S910-L914 WeakPolarHBondContact O-CG 3.48Å; S910-L914 PolarHBondContact O-N 3.47Å
911S89.7Confident86.3Confident52 Ų5234.9 Ų34.936%0.36419%0.191SC..Hα-helixtrans-65.3-38.6176.563.60000112.1H789 T907 A908 F909 K915H789-S911 PolarHBondContact ND1-OG 3.24Å; T907-S911 VanDerWaalsContact O-CB 3.28Å; T907-S911 WeakPolarHBondContact O-CB 3.49Å; T907-S911 PolarHBondContact O-N 3.23Å; T907-S911 PolarHBondContact O-OG 3.23Å; A908-S911 PolarHBondContact O-N 2.89Å; A908-S911 PolarHBondContact O-OG 3.35Å; F909-S911 PolarHBondContact O-N 2.81Å; S911-K915 WeakPolarHBondContact O-CB 3.2Å; S911-K915 PolarHBondContact O-N 3.3Å
912G87.9Confident86.1Confident0 Ų034.5 Ų34.50%019%0.188CC..Hα-helixtrans-67.3-42.4174.900000112.5H789 G792 I793 A908 F909 K915H789-G912 WeakPolarHBondContact CE1-CA 3.26Å; H789-G912 PolarHBondContact CE1-N 2.99Å; H789-G912 WeakPolarHBondContact ND1-CA 3.4Å; H789-G912 PolarHBondContact ND1-N 3.02Å; H789-G912 WeakPolarHBondContact O-CA 3.35Å; G792-G912 VanDerWaalsContact C-C 3.49Å; I793-G912 WeakPolarHBondContact CG1-O 3.33Å; A908-G912 PolarHBondContact O-N 3.18Å; A908-G912 VanDerWaalsContact O-N 3.14Å; F909-G912 PolarHBondContact O-N 2.95Å; G912-K915 WeakPolarHBondContact O-CB 3.44Å; G912-K915 PolarHBondContact O-N 2.84Å
913F89.3Confident85.9Confident1 Ų141.8 Ų41.80%0.00422%0.222CC..Hα-helixtrans-61.9-52.8177.4-177.1-88.9000112.4G792 C795 I799 L817 F909 S910 K915 V916 C917 L922 M934G792-F913 VanDerWaalsContact O-CA 3.24Å; G792-F913 WeakPolarHBondContact O-CA 3.47Å; G792-F913 PolarHBondContact O-N 3.46Å; C795-F913 HydrophobicContact CB-CD2 3.93Å; C795-F913 HydrophobicContact CB-CE2 4.31Å; I799-F913 HydrophobicContact CD1-CE2 3.54Å; I799-F913 HydrophobicContact CD1-CZ 3.52Å; L817-F913 HydrophobicContact CD1-CD1 4.26Å; L817-F913 HydrophobicContact CD1-CE1 4.1Å; L817-F913 HydrophobicContact CD1-CE2 4.37Å; L817-F913 HydrophobicContact CD1-CG 4.47Å; L817-F913 HydrophobicContact CD1-CZ 4.15Å; L817-F913 HydrophobicContact CD2-CB 4.29Å; L817-F913 HydrophobicContact CD2-CD1 3.77Å; L817-F913 HydrophobicContact CD2-CE1 4.32Å; L817-F913 HydrophobicContact CD2-CG 4.05Å; F909-F913 WeakPolarHBondContact O-CB 3.34Å; F909-F913 PolarHBondContact O-N 2.96Å; S910-F913 PolarHBondContact O-N 2.84Å; F913-K915 PolarHBondContact O-N 3.21Å; F913-V916 PolarHBondContact O-N 3.41Å; F913-C917 HydrophobicContact CE1-CB 4.2Å; F913-C917 HydrophobicContact CZ-CB 4.23Å; F913-C917 PolarHBondContact O-N 3.38Å; F913-L922 HydrophobicContact CE1-CD1 4.09Å; F913-M934 HydrophobicContact CE2-CE 4.21Å
914L87.9Confident85.8Confident77 Ų7737.9 Ų37.940%0.40320%0.204SC..Hα-helixtrans-69.4-16.2-177.6-66.8172.5000113.4S910 V916 G918 L922S910-L914 WeakPolarHBondContact O-CB 3.49Å; S910-L914 VanDerWaalsContact O-CG 3.27Å; S910-L914 WeakPolarHBondContact O-CG 3.48Å; S910-L914 PolarHBondContact O-N 3.47Å; L914-V916 VanDerWaalsContact C-N 3.34Å; L914-G918 VanDerWaalsContact O-CA 3.23Å; L914-G918 WeakPolarHBondContact O-CA 3.3Å; L914-G918 PolarHBondContact O-N 2.91Å; L914-L922 HydrophobicContact CD2-CD1 4.05Å
915K85.5Confident85.8Confident57 Ų5732.1 Ų32.125%0.24818%0.177CC..Hα-helixtrans-67.6-35.9174.6-178.8166.3165.61510111.9D724 L727 K728 S911 G912 F913D724-K915 HydrophobicContact CB-CG 4.42Å; D724-K915 VanDerWaalsContact CG-CE 3.43Å; D724-K915 WeakPolarHBondContact OD1-CE 3.23Å; D724-K915 IonicContact OD1-NZ 2.95Å; D724-K915 PolarHBondContact OD1-NZ 2.95Å; L727-K915 HydrophobicContact CD1-CD 4.12Å; L727-K915 VanDerWaalsContact CD1-CE 3.44Å; L727-K915 HydrophobicContact CD1-CG 4.15Å; K728-K915 WeakPolarHBondContact CE-O 3.36Å; S911-K915 WeakPolarHBondContact O-CB 3.2Å; S911-K915 PolarHBondContact O-N 3.3Å; G912-K915 WeakPolarHBondContact O-CB 3.44Å; G912-K915 PolarHBondContact O-N 2.84Å; F913-K915 PolarHBondContact O-N 3.21Å
916V81.6Confident85.7Confident0 Ų032.7 Ų32.70%018%0.181CC..Hα-helixtrans-97.4-61.5179.4-174.70000110.5L727 I793 L797 Y800 F913 L914 G918L727-V916 HydrophobicContact CB-CG2 4.12Å; L727-V916 HydrophobicContact CD1-CG2 4.16Å; I793-V916 HydrophobicContact CB-CG2 4.45Å; I793-V916 HydrophobicContact CG2-CG2 3.97Å; L797-V916 HydrophobicContact CD2-CG1 3.71Å; L797-V916 HydrophobicContact CD2-CG2 4.44Å; L797-V916 HydrophobicContact CG-CG1 3.96Å; L797-V916 HydrophobicContact CG-CG2 4.21Å; Y800-V916 HydrophobicContact CG-CG1 4.31Å; F913-V916 PolarHBondContact O-N 3.41Å; L914-V916 VanDerWaalsContact C-N 3.34Å; V916-G918 PolarHBondContact O-N 3.41Å
917C77.4Confident85.6Confident3 Ų332.2 Ų32.22%0.0218%0.18CC..SBendtrans-97.574.6178.6-166.50000108.1F913 L922F913-C917 HydrophobicContact CE1-CB 4.2Å; F913-C917 HydrophobicContact CZ-CB 4.23Å; F913-C917 PolarHBondContact O-N 3.38Å; C917-L922 WeakPolarHBondContact O-CD1 3.41Å
918G71.3Confident85.4Confident18 Ų1832 Ų3219%0.18618%0.182CC..  trans-133.8151.3177.900000111.3L914 V916L914-G918 VanDerWaalsContact O-CA 3.23Å; L914-G918 WeakPolarHBondContact O-CA 3.3Å; L914-G918 PolarHBondContact O-N 2.91Å; V916-G918 PolarHBondContact O-N 3.41Å
919G77.8Confident85.3Confident45 Ų4532.1 Ų32.146%0.46418%0.182SC..SBendtrans140.6178.218000000112.3V921 L922G919-V921 PolarHBondContact O-N 2.97Å; G919-L922 PolarHBondContact O-N 3.2Å
920K79.6Confident85.1Confident101 Ų10132.1 Ų32.144%0.43918%0.182SC..THydrogen-bonded Turntrans-69.7-18.3-176.9-62.8-172.8175.2176.10113.6W630 L922 E923W630-K920 HydrophobicContact CH2-CB 3.97Å; K920-L922 VanDerWaalsContact C-N 3.28Å; K920-L922 PolarHBondContact O-N 2.8Å; K920-E923 WeakPolarHBondContact O-CB 3.48Å; K920-E923 PolarHBondContact O-N 3.04Å
921V84.5Confident84.9Confident2 Ų235.1 Ų35.11%0.01219%0.191CC..THydrogen-bonded Turntrans-64.1-3317764.80000112.2Y627 M665 L666 D669 G919 E923 L924 F925Y627-V921 HydrophobicContact CE2-CB 4.2Å; Y627-V921 HydrophobicContact CE2-CG2 3.98Å; M665-V921 HydrophobicContact CB-CG2 4.37Å; L666-V921 HydrophobicContact CB-CG2 4.28Å; L666-V921 HydrophobicContact CD1-CB 4.38Å; L666-V921 HydrophobicContact CD1-CG1 3.44Å; L666-V921 VanDerWaalsContact CD1-CG1 3.44Å; L666-V921 HydrophobicContact CD1-CG2 4.06Å; D669-V921 HydrophobicContact CB-CB 4.36Å; D669-V921 HydrophobicContact CB-CG1 4.13Å; D669-V921 HydrophobicContact CB-CG2 4.35Å; G919-V921 PolarHBondContact O-N 2.97Å; V921-E923 VanDerWaalsContact C-N 3.31Å; V921-E923 PolarHBondContact O-N 3.26Å; V921-L924 HydrophobicContact CG2-CD1 4.3Å; V921-L924 VanDerWaalsContact O-CB 3.29Å; V921-L924 WeakPolarHBondContact O-CB 3.41Å; V921-L924 WeakPolarHBondContact O-CG 3.38Å; V921-L924 PolarHBondContact O-N 3.22Å; V921-F925 HydrophobicContact CG2-CE2 4.46Å; V921-F925 VanDerWaalsContact O-CD2 3.32Å; V921-F925 WeakPolarHBondContact O-CD2 3.34Å
922L84.9Confident84.5Confident8 Ų834 Ų344%0.04219%0.185CC..G310 helixtrans-67.9-31.8176-74.1-174.7000112.5L666 L818 F913 L914 C917 G919 K920 L924 F925 L930L666-L922 HydrophobicContact CD1-CD2 4.32Å; L818-L922 HydrophobicContact CD2-CB 4.29Å; L818-L922 WeakPolarHBondContact CD2-O 3.46Å; F913-L922 HydrophobicContact CE1-CD1 4.09Å; L914-L922 HydrophobicContact CD2-CD1 4.05Å; C917-L922 WeakPolarHBondContact O-CD1 3.41Å; G919-L922 PolarHBondContact O-N 3.2Å; K920-L922 VanDerWaalsContact C-N 3.28Å; K920-L922 PolarHBondContact O-N 2.8Å; L922-L924 PolarHBondContact O-N 3.31Å; L922-L924 VanDerWaalsContact O-N 3.11Å; L922-F925 PolarHBondContact O-N 3.08Å; L922-L930 HydrophobicContact CD2-CD1 4.24Å
923E84.3Confident84.3Confident154 Ų15434.9 Ų34.972%0.7219%0.189SC*.G310 helixtrans-63.9-15.2176.4-57.7177.3-179.200112.5K920 V921K920-E923 WeakPolarHBondContact O-CB 3.48Å; K920-E923 PolarHBondContact O-N 3.04Å; V921-E923 VanDerWaalsContact C-N 3.31Å; V921-E923 PolarHBondContact O-N 3.26Å
924L87.1Confident83.8Confident12 Ų1235.1 Ų35.16%0.06319%0.19CC..G310 helixtrans-79.5-18.2176.7-48.1178.8000112.6Y627 W630 P654 K662 M665 V921 L922Y627-L924 HydrophobicContact CE2-CD1 4.41Å; W630-L924 HydrophobicContact CH2-CD1 4.42Å; W630-L924 HydrophobicContact CH2-CD2 4.03Å; W630-L924 HydrophobicContact CZ2-CD2 3.97Å; P654-L924 HydrophobicContact CB-CB 4Å; P654-L924 HydrophobicContact CB-CD2 4.23Å; P654-L924 WeakPolarHBondContact CB-O 3.28Å; P654-L924 HydrophobicContact CG-CB 4.22Å; P654-L924 HydrophobicContact CG-CD2 3.49Å; P654-L924 VanDerWaalsContact CG-CD2 3.49Å; P654-L924 HydrophobicContact CG-CG 4.42Å; K662-L924 VanDerWaalsContact CE-O 3.32Å; K662-L924 WeakPolarHBondContact CE-O 3.29Å; K662-L924 PolarHBondContact NZ-O 2.81Å; M665-L924 HydrophobicContact SD-CD1 4.22Å; V921-L924 HydrophobicContact CG2-CD1 4.3Å; V921-L924 VanDerWaalsContact O-CB 3.29Å; V921-L924 WeakPolarHBondContact O-CB 3.41Å; V921-L924 WeakPolarHBondContact O-CG 3.38Å; V921-L924 PolarHBondContact O-N 3.22Å; L922-L924 PolarHBondContact O-N 3.31Å; L922-L924 VanDerWaalsContact O-N 3.11Å
925F87.9Confident83.4Confident7 Ų732.2 Ų32.23%0.03118%0.175CC..  trans-89.6151-176.4-72.9-102.3000112.5K662 L666 L818 V921 L922 E929 L930 M933K662-F925 HydrophobicContact CB-CD1 4.01Å; K662-F925 HydrophobicContact CB-CE1 3.5Å; K662-F925 VanDerWaalsContact CB-CE1 3.5Å; K662-F925 HydrophobicContact CB-CE2 4.05Å; K662-F925 HydrophobicContact CB-CZ 3.54Å; K662-F925 HydrophobicContact CD-CD1 4.27Å; K662-F925 HydrophobicContact CD-CG 4.42Å; K662-F925 WeakPolarHBondContact O-CZ 3.22Å; L666-F925 HydrophobicContact CB-CE2 4.14Å; L666-F925 HydrophobicContact CB-CZ 3.96Å; L666-F925 HydrophobicContact CD2-CZ 4.32Å; L818-F925 HydrophobicContact CD1-CB 4.48Å; L818-F925 WeakPolarHBondContact CD1-O 2.85Å; V921-F925 HydrophobicContact CG2-CE2 4.46Å; V921-F925 VanDerWaalsContact O-CD2 3.32Å; V921-F925 WeakPolarHBondContact O-CD2 3.34Å; L922-F925 PolarHBondContact O-N 3.08Å; F925-E929 WeakPolarHBondContact CA-OE2 3.35Å; F925-E929 HydrophobicContact CD1-CB 3.99Å; F925-L930 HydrophobicContact CB-CB 4.48Å; F925-M933 HydrophobicContact CE1-CE 4.2Å; F925-M933 HydrophobicContact CE1-SD 3.99Å; F925-M933 HydrophobicContact CZ-CE 4.44Å; F925-M933 HydrophobicContact CZ-SD 4.07Å
926Q87.5Confident82.9Confident50 Ų5030 Ų3023%0.23417%0.169CC..  trans-89.9157.7160.9-67.4-59.6-42.800111Y609 L818 S928 E929 L930Y609-Q926 HydrophobicContact CD1-CG 3.95Å; Y609-Q926 HydrophobicContact CD2-CG 4.26Å; Y609-Q926 HydrophobicContact CE1-CB 4.27Å; Y609-Q926 HydrophobicContact CE1-CG 3.28Å; Y609-Q926 HydrophobicContact CE2-CG 3.68Å; Y609-Q926 HydrophobicContact CG-CG 4.39Å; Y609-Q926 VanDerWaalsContact OH-CG 3.28Å; Y609-Q926 WeakPolarHBondContact OH-CG 3.38Å; L818-Q926 VanDerWaalsContact CD1-C 3.48Å; Q926-S928 VanDerWaalsContact C-N 3.27Å; Q926-S928 PolarHBondContact O-N 3.28Å; Q926-E929 HydrophobicContact CB-CB 4.49Å; Q926-E929 HydrophobicContact CB-CG 4.04Å; Q926-E929 PolarHBondContact N-OE2 2.99Å; Q926-E929 WeakPolarHBondContact O-CB 3.27Å; Q926-E929 PolarHBondContact O-N 3.25Å; Q926-E929 VanDerWaalsContact O-N 3.09Å; Q926-L930 PolarHBondContact O-N 2.91Å
927P89.1Confident82.4Confident9 Ų932.2 Ų32.26%0.05818%0.181CC..Hα-helixtrans-54.9-39.2178.2-26.834.1000114.2L811 Y814 K815 L818 V820 R931L811-P927 HydrophobicContact CD1-CB 3.91Å; L811-P927 HydrophobicContact CG-CB 4.28Å; Y814-P927 WeakPolarHBondContact CB-O 3.3Å; K815-P927 HydrophobicContact CB-CB 4.45Å; K815-P927 HydrophobicContact CB-CG 4.34Å; K815-P927 HydrophobicContact CG-CB 3.6Å; K815-P927 HydrophobicContact CG-CG 3.54Å; L818-P927 HydrophobicContact CD1-CB 4.45Å; L818-P927 HydrophobicContact CD1-CG 4.07Å; V820-P927 HydrophobicContact CG2-CG 4.36Å; P927-R931 WeakPolarHBondContact O-CB 3.16Å; P927-R931 PolarHBondContact O-N 3.37Å
928S87.3Confident82.1Confident57 Ų5734.8 Ų34.840%0.39920%0.198SC..Hα-helixtrans-70.1-37178.849.70000112.5Q926 A932Q926-S928 VanDerWaalsContact C-N 3.27Å; Q926-S928 PolarHBondContact O-N 3.28Å; S928-A932 VanDerWaalsContact O-CB 3.32Å; S928-A932 WeakPolarHBondContact O-CB 3.38Å; S928-A932 PolarHBondContact O-N 2.89Å
929E88Confident82.3Confident3 Ų339.3 Ų39.31%0.01422%0.219CC..Hα-helixtrans-68-44.2175.7-60.2168.6161.700110.7Y609 Y613 A659 K662 F925 Q926 R931 A932 M933Y609-E929 WeakPolarHBondContact CE1-OE1 3.32Å; Y613-E929 WeakPolarHBondContact CE1-OE1 3.49Å; Y613-E929 PolarHBondContact OH-OE1 3.26Å; A659-E929 HydrophobicContact CB-CB 4.06Å; A659-E929 HydrophobicContact CB-CG 4.04Å; K662-E929 VanDerWaalsContact CD-OE2 3.23Å; K662-E929 WeakPolarHBondContact CD-OE2 3.44Å; K662-E929 IonicContact NZ-OE1 2.7Å; K662-E929 PolarHBondContact NZ-OE1 3.49Å; K662-E929 IonicContact NZ-OE2 2.8Å; K662-E929 PolarHBondContact NZ-OE2 3Å; F925-E929 WeakPolarHBondContact CA-OE2 3.35Å; F925-E929 HydrophobicContact CD1-CB 3.99Å; Q926-E929 HydrophobicContact CB-CB 4.49Å; Q926-E929 HydrophobicContact CB-CG 4.04Å; Q926-E929 PolarHBondContact N-OE2 2.99Å; Q926-E929 WeakPolarHBondContact O-CB 3.27Å; Q926-E929 PolarHBondContact O-N 3.25Å; Q926-E929 VanDerWaalsContact O-N 3.09Å; E929-R931 VanDerWaalsContact C-N 3.35Å; E929-R931 PolarHBondContact O-N 3.05Å; E929-A932 PolarHBondContact O-N 2.85Å; E929-M933 WeakPolarHBondContact O-CB 3.47Å; E929-M933 PolarHBondContact O-N 3.45Å
930L87.4Confident82.5Confident1 Ų139.1 Ų39.11%0.00520%0.204CC..Hα-helixtrans-61.4-42.9176.8-179.760.7000111.3Y814 L817 L818 L922 F925 Q926 M933 M934Y814-L930 HydrophobicContact CD1-CB 4.44Å; Y814-L930 HydrophobicContact CD1-CD2 4.1Å; Y814-L930 HydrophobicContact CD1-CG 3.88Å; L817-L930 HydrophobicContact CB-CD2 4.34Å; L818-L930 HydrophobicContact CD1-CB 4.29Å; L818-L930 HydrophobicContact CD1-CD2 4Å; L818-L930 HydrophobicContact CD2-CD2 4.04Å; L818-L930 HydrophobicContact CG-CD2 3.82Å; L922-L930 HydrophobicContact CD2-CD1 4.24Å; F925-L930 HydrophobicContact CB-CB 4.48Å; Q926-L930 PolarHBondContact O-N 2.91Å; L930-M933 HydrophobicContact CD1-CE 3.29Å; L930-M933 PolarHBondContact O-N 2.71Å; L930-M934 WeakPolarHBondContact O-CB 3.18Å; L930-M934 PolarHBondContact O-N 3.3Å; L930-M934 VanDerWaalsContact O-N 3.09Å
931R86.6Confident82.7Confident81 Ų8137.6 Ų37.631%0.30620%0.201SC..Hα-helixtrans-60.9-50.8173-177.417574.4177.73.7111.7L811 Y814 E829 P927 E929 M933 M934 V935L811-R931 HydrophobicContact CD1-CB 4.48Å; Y814-R931 HydrophobicContact CD1-CB 4.16Å; Y814-R931 HydrophobicContact CD2-CB 3.67Å; Y814-R931 HydrophobicContact CD2-CG 3.94Å; Y814-R931 HydrophobicContact CE1-CB 4.15Å; Y814-R931 HydrophobicContact CE1-CG 4.46Å; Y814-R931 HydrophobicContact CE2-CB 3.68Å; Y814-R931 HydrophobicContact CE2-CG 3.47Å; Y814-R931 VanDerWaalsContact CE2-CG 3.47Å; Y814-R931 HydrophobicContact CG-CB 3.9Å; E829-R931 IonicContact OE1-CZ 3.78Å; E829-R931 IonicContact OE1-NH1 3.86Å; E829-R931 PolarHBondContact OE1-NH1 3.18Å; E829-R931 IonicContact OE2-NH1 3.59Å; P927-R931 WeakPolarHBondContact O-CB 3.16Å; P927-R931 PolarHBondContact O-N 3.37Å; E929-R931 VanDerWaalsContact C-N 3.35Å; E929-R931 PolarHBondContact O-N 3.05Å; R931-M933 PolarHBondContact O-N 3.45Å; R931-M934 PolarHBondContact O-N 3.47Å; R931-M934 VanDerWaalsContact O-N 3.16Å; R931-V935 HydrophobicContact CG-CG2 4.1Å; R931-V935 WeakPolarHBondContact O-CB 3.48Å; R931-V935 PolarHBondContact O-N 2.99Å
932A81.5Confident82.8Confident28 Ų2838.7 Ų38.723%0.23121%0.205CC..Hα-helixtrans-62.1-32.7-178.200000112.6S928 E929 G936 I992S928-A932 VanDerWaalsContact O-CB 3.32Å; S928-A932 WeakPolarHBondContact O-CB 3.38Å; S928-A932 PolarHBondContact O-N 2.89Å; E929-A932 PolarHBondContact O-N 2.85Å; A932-G936 CarbonylContact O-C 3.54Å; A932-G936 VanDerWaalsContact O-C 3.3Å; A932-G936 WeakPolarHBondContact O-CA 3.5Å; A932-G936 PolarHBondContact O-N 3.35Å; A932-I992 HydrophobicContact CB-CD1 4.35Å
933M82.8Confident82.8Confident18 Ų1845 Ų459%0.08923%0.234CC..Hα-helixtrans-69.2-44.3173.8176.6-170.953.200112T663 L666 I799 F925 E929 L930 R931 I992T663-M933 HydrophobicContact CG2-CG 4.04Å; T663-M933 HydrophobicContact CG2-SD 4.2Å; L666-M933 HydrophobicContact CD2-CE 3.63Å; L666-M933 HydrophobicContact CD2-SD 3.32Å; L666-M933 WeakPolarHBondContact CD2-SD 3.35Å; I799-M933 HydrophobicContact CG2-CE 4.1Å; I799-M933 HydrophobicContact CG2-SD 4.3Å; F925-M933 HydrophobicContact CE1-CE 4.2Å; F925-M933 HydrophobicContact CE1-SD 3.99Å; F925-M933 HydrophobicContact CZ-CE 4.44Å; F925-M933 HydrophobicContact CZ-SD 4.07Å; E929-M933 WeakPolarHBondContact O-CB 3.47Å; E929-M933 PolarHBondContact O-N 3.45Å; L930-M933 HydrophobicContact CD1-CE 3.29Å; L930-M933 PolarHBondContact O-N 2.71Å; R931-M933 PolarHBondContact O-N 3.45Å; M933-I992 HydrophobicContact CB-CD1 4.13Å
934M79.5Confident82.8Confident7 Ų740.4 Ų40.43%0.03421%0.213CC..Hα-helixtrans-75.3-44.1-175-165.7174-167.500112.5C795 I799 V805 L807 Y814 F913 L930 R931C795-M934 HydrophobicContact CB-CE 3.44Å; C795-M934 VanDerWaalsContact CB-CE 3.44Å; I799-M934 HydrophobicContact CD1-CB 4.46Å; I799-M934 HydrophobicContact CD1-CE 4.04Å; I799-M934 HydrophobicContact CD1-CG 4.06Å; I799-M934 HydrophobicContact CD1-SD 3.93Å; I799-M934 HydrophobicContact CG1-CE 4.32Å; I799-M934 HydrophobicContact CG1-CG 4.09Å; I799-M934 HydrophobicContact CG1-SD 4.5Å; V805-M934 PolarHBondContact N-O 3.07Å; L807-M934 HydrophobicContact CD1-CE 3.16Å; L807-M934 HydrophobicContact CD1-CG 4.1Å; L807-M934 HydrophobicContact CD1-SD 3.5Å; L807-M934 VanDerWaalsContact CD1-SD 3.5Å; L807-M934 HydrophobicContact CG-CE 4.41Å; Y814-M934 HydrophobicContact CE1-CB 4.29Å; Y814-M934 HydrophobicContact CE1-SD 3.82Å; F913-M934 HydrophobicContact CE2-CE 4.21Å; L930-M934 WeakPolarHBondContact O-CB 3.18Å; L930-M934 PolarHBondContact O-N 3.3Å; L930-M934 VanDerWaalsContact O-N 3.09Å; R931-M934 PolarHBondContact O-N 3.47Å; R931-M934 VanDerWaalsContact O-N 3.16Å
935V78.9Confident82.6Confident15 Ų1539.9 Ų39.99%0.09121%0.21CC..Hα-helixtrans-91.1-23.4-175.2-176.40000112.2V804 V805 L807 Y814 R931 R989V804-V935 WeakPolarHBondContact CG1-O 3.38Å; V805-V935 WeakPolarHBondContact O-CA 3.32Å; L807-V935 HydrophobicContact CB-CG2 4.18Å; Y814-V935 VanDerWaalsContact OH-CG2 3.27Å; Y814-V935 WeakPolarHBondContact OH-CG2 3.49Å; R931-V935 HydrophobicContact CG-CG2 4.1Å; R931-V935 WeakPolarHBondContact O-CB 3.48Å; R931-V935 PolarHBondContact O-N 2.99Å; V935-R989 HydrophobicContact CG1-CG 4.33Å; V935-R989 WeakPolarHBondContact O-CB 3.43Å; V935-R989 WeakPolarHBondContact O-CG 3.38Å
936G75.5Confident82.7Confident10 Ų1042.9 Ų42.910%0.10322%0.224CC..  trans90.3180-171.500000112.9A932 I990A932-G936 CarbonylContact O-C 3.54Å; A932-G936 VanDerWaalsContact O-C 3.3Å; A932-G936 WeakPolarHBondContact O-CA 3.5Å; A932-G936 PolarHBondContact O-N 3.35Å; G936-I990 CarbonylContact C-O 3.29Å; G936-I990 WeakPolarHBondContact CA-O 3.43Å
937N72.5Confident82.6Confident48 Ų4848.5 Ų48.526%0.25725%0.25SS..BIsolated β-bridgetrans-106.2163.9-178.3-162.4-6.1000111.1N939 I990N937-N939 PolarHBondContact ND2-ND2 3.23Å; N937-N939 PolarHBondContact OD1-N 3.4Å; N937-I990 HydrophobicContact CB-CD1 4.44Å; N937-I990 HydrophobicContact CB-CG1 3.94Å; N937-I990 PolarHBondContact N-O 3.44Å; N937-I990 VanDerWaalsContact O-CG1 3.3Å; N937-I990 WeakPolarHBondContact O-CG1 3.47Å; N937-I990 PolarHBondContact O-N 2.79Å
938S71.1Confident82.4Confident56 Ų5650.1 Ų50.139%0.39226%0.26SS..  trans-115.915.1175.359.90000113.4Y940S938-Y940 WeakPolarHBondContact O-CD2 3.34Å; S938-Y940 WeakPolarHBondContact O-CE2 3.27Å; S938-Y940 PolarHBondContact O-N 3.25Å
939N75.3Confident82.4Confident114 Ų11448 Ų4861%0.6125%0.245SC*.  trans-86.782.7178.2-70.6-11.3000110.3N937 N941 I990N937-N939 PolarHBondContact ND2-ND2 3.23Å; N937-N939 PolarHBondContact OD1-N 3.4Å; N939-N941 PolarHBondContact O-N 3.37Å; N939-I990 WeakPolarHBondContact O-CD1 3.48Å
940Y81.9Confident82.5Confident40 Ų4051.1 Ų51.116%0.15726%0.262CS..  trans-76.8121.6-174.8-50.4-76.1000112.6S938 W942 L974 K978 L981 D988 I990S938-Y940 WeakPolarHBondContact O-CD2 3.34Å; S938-Y940 WeakPolarHBondContact O-CE2 3.27Å; S938-Y940 PolarHBondContact O-N 3.25Å; Y940-W942 VanDerWaalsContact CB-CE2 3.47Å; Y940-W942 AromaticContact CD1-CH2 3.74Å; Y940-W942 HydrophobicContact CD1-CH2 3.74Å; Y940-W942 AromaticContact CD1-CZ2 3.61Å; Y940-W942 HydrophobicContact CD1-CZ2 3.61Å; Y940-W942 HydrophobicContact CD2-CZ2 4.18Å; Y940-W942 HydrophobicContact CE1-CH2 4.33Å; Y940-W942 HydrophobicContact CE1-CZ2 4.37Å; Y940-W942 AromaticContact CG-CE2 3.99Å; Y940-W942 HydrophobicContact CG-CH2 4.13Å; Y940-W942 AromaticContact CG-CZ2 3.5Å; Y940-W942 HydrophobicContact CG-CZ2 3.5Å; Y940-L974 HydrophobicContact CD2-CD1 3.97Å; Y940-L974 HydrophobicContact CE2-CD1 4.44Å; Y940-K978 HydrophobicContact CE2-CG 4.23Å; Y940-L981 HydrophobicContact CD1-CD2 4.28Å; Y940-L981 HydrophobicContact CE1-CD2 3.85Å; Y940-D988 WeakPolarHBondContact CE1-O 3.49Å; Y940-D988 PolarHBondContact OH-O 2.96Å; Y940-I990 HydrophobicContact CD1-CG2 3.94Å; Y940-I990 HydrophobicContact CE1-CG2 4.06Å
941N83.4Confident82.6Confident69 Ų6953.2 Ų53.237%0.36927%0.27SS..  trans-112.893.1165.8-173.5-3.7000109.6N939 E943 E944 L945 M995N939-N941 PolarHBondContact O-N 3.37Å; N941-E943 VanDerWaalsContact C-N 3.31Å; N941-E943 PolarHBondContact O-N 3.49Å; N941-E943 PolarHBondContact OD1-N 3.39Å; N941-E944 HydrophobicContact CB-CB 4.1Å; N941-E944 PolarHBondContact ND2-OE2 3.03Å; N941-E944 PolarHBondContact O-N 3.4Å; N941-L945 PolarHBondContact O-N 2.99Å; N941-M995 HydrophobicContact CB-CB 4.42Å; N941-M995 WeakPolarHBondContact O-CB 3.29Å; N941-M995 VanDerWaalsContact O-CG 3.3Å; N941-M995 WeakPolarHBondContact O-CG 3.48Å
942W86.1Confident82.6Confident26 Ų2654.3 Ų54.310%0.09828%0.277CS..Hα-helixtrans-72.8-21.8-173.4-56.4106.7000113.7Y940 L945 E946 F969 L974 K977 L981 M995Y940-W942 VanDerWaalsContact CB-CE2 3.47Å; Y940-W942 AromaticContact CD1-CH2 3.74Å; Y940-W942 HydrophobicContact CD1-CH2 3.74Å; Y940-W942 AromaticContact CD1-CZ2 3.61Å; Y940-W942 HydrophobicContact CD1-CZ2 3.61Å; Y940-W942 HydrophobicContact CD2-CZ2 4.18Å; Y940-W942 HydrophobicContact CE1-CH2 4.33Å; Y940-W942 HydrophobicContact CE1-CZ2 4.37Å; Y940-W942 AromaticContact CG-CE2 3.99Å; Y940-W942 HydrophobicContact CG-CH2 4.13Å; Y940-W942 AromaticContact CG-CZ2 3.5Å; Y940-W942 HydrophobicContact CG-CZ2 3.5Å; W942-L945 HydrophobicContact CE3-CD2 4.11Å; W942-L945 HydrophobicContact CZ3-CD2 4.39Å; W942-L945 WeakPolarHBondContact O-CB 3.49Å; W942-E946 PolarHBondContact O-N 2.99Å; W942-F969 HydrophobicContact CB-CE1 4.24Å; W942-F969 HydrophobicContact CD2-CE1 4.17Å; W942-F969 HydrophobicContact CD2-CZ 4.13Å; W942-F969 AromaticContact CE3-CE1 3.7Å; W942-F969 HydrophobicContact CE3-CE1 3.7Å; W942-F969 AromaticContact CE3-CZ 3.43Å; W942-F969 HydrophobicContact CE3-CZ 3.43Å; W942-F969 VanDerWaalsContact CE3-CZ 3.43Å; W942-F969 HydrophobicContact CG-CE1 4.43Å; W942-F969 HydrophobicContact CZ3-CE1 4.43Å; W942-F969 AromaticContact CZ3-CZ 3.71Å; W942-F969 HydrophobicContact CZ3-CZ 3.71Å; W942-L974 HydrophobicContact CZ2-CD1 4.13Å; W942-K977 HydrophobicContact CD2-CB 4.34Å; W942-K977 HydrophobicContact CD2-CD 4.01Å; W942-K977 HydrophobicContact CG-CD 4.08Å; W942-K977 HydrophobicContact CH2-CB 3.72Å; W942-K977 HydrophobicContact CZ2-CB 3.49Å; W942-K977 VanDerWaalsContact CZ2-CB 3.49Å; W942-K977 HydrophobicContact CZ2-CD 4.37Å; W942-K977 HydrophobicContact CZ3-CB 4.24Å; W942-L981 HydrophobicContact CH2-CB 4.43Å; W942-L981 HydrophobicContact CH2-CD2 4.41Å; W942-M995 HydrophobicContact CE3-CE 3.67Å; W942-M995 HydrophobicContact CH2-CE 4.29Å; W942-M995 HydrophobicContact CZ3-CE 3.42Å; W942-M995 VanDerWaalsContact CZ3-CE 3.42Å
943E84.9Confident82.6Confident139 Ų13956 Ų5665%0.6530%0.298SS*.Hα-helixtrans-69.8-43175.1-64.3-178.3173.500110.4N941 L945 E946 E947N941-E943 VanDerWaalsContact C-N 3.31Å; N941-E943 PolarHBondContact O-N 3.49Å; N941-E943 PolarHBondContact OD1-N 3.39Å; E943-L945 VanDerWaalsContact C-N 3.26Å; E943-L945 PolarHBondContact O-N 3Å; E943-E946 WeakPolarHBondContact O-CB 3.15Å; E943-E946 PolarHBondContact O-N 3.3Å; E943-E946 VanDerWaalsContact O-N 3.08Å; E943-E947 PolarHBondContact O-N 3.38Å; E943-E947 VanDerWaalsContact O-N 3.11Å
944E83.6Confident82.5Confident59 Ų5960.3 Ų60.328%0.27632%0.321SS..Hα-helixtrans-64.9-29.2177.1-171.7177-167.800112.7N941 T948 M995 A996N941-E944 HydrophobicContact CB-CB 4.1Å; N941-E944 PolarHBondContact ND2-OE2 3.03Å; N941-E944 PolarHBondContact O-N 3.4Å; E944-T948 WeakPolarHBondContact O-CG2 3.45Å; E944-T948 PolarHBondContact O-N 3.14Å; E944-T948 PolarHBondContact O-OG1 2.7Å; E944-M995 HydrophobicContact CB-CB 4.48Å; E944-A996 HydrophobicContact CG-CB 3.58Å; E944-A996 WeakPolarHBondContact OE1-CB 3.46Å
945L84.9Confident82.9Confident0 Ų060.5 Ų60.50%032%0.321CS..Hα-helixtrans-64.6-41171.4-174.766.8000112.1N941 W942 E943 T948 A949 W966 F969 M995 L998 I1000N941-L945 PolarHBondContact O-N 2.99Å; W942-L945 HydrophobicContact CE3-CD2 4.11Å; W942-L945 HydrophobicContact CZ3-CD2 4.39Å; W942-L945 WeakPolarHBondContact O-CB 3.49Å; E943-L945 VanDerWaalsContact C-N 3.26Å; E943-L945 PolarHBondContact O-N 3Å; L945-T948 PolarHBondContact O-OG1 3.13Å; L945-A949 PolarHBondContact O-N 3.02Å; L945-W966 HydrophobicContact CD2-CH2 4.13Å; L945-W966 HydrophobicContact CD2-CZ3 4.32Å; L945-W966 HydrophobicContact CG-CH2 4.08Å; L945-F969 HydrophobicContact CD2-CE1 4.41Å; L945-F969 HydrophobicContact CD2-CZ 4.39Å; L945-M995 HydrophobicContact CB-CE 4.03Å; L945-M995 HydrophobicContact CB-CG 3.69Å; L945-M995 HydrophobicContact CD1-CE 3.74Å; L945-M995 HydrophobicContact CD1-CG 4.08Å; L945-M995 HydrophobicContact CD1-SD 4.48Å; L945-M995 HydrophobicContact CD2-CE 3.58Å; L945-M995 HydrophobicContact CG-CE 3.95Å; L945-M995 HydrophobicContact CG-CG 4.41Å; L945-L998 HydrophobicContact CD1-CD2 3.8Å; L945-I1000 HydrophobicContact CD1-CD1 4.21Å; L945-I1000 HydrophobicContact CD1-CG1 4.26Å; L945-I1000 HydrophobicContact CD1-CG2 3.78Å; L945-I1000 HydrophobicContact CD2-CD1 4.32Å; L945-I1000 HydrophobicContact CG-CD1 4.08Å
946E88.3Confident83.3Confident71 Ų7162.2 Ų62.233%0.33233%0.334SS..Hα-helixtrans-68.5-42.7179.4176.1173.5179.900111.4W942 E943 T948 A949 W966 H970W942-E946 PolarHBondContact O-N 2.99Å; E943-E946 WeakPolarHBondContact O-CB 3.15Å; E943-E946 PolarHBondContact O-N 3.3Å; E943-E946 VanDerWaalsContact O-N 3.08Å; E946-T948 PolarHBondContact O-N 3.34Å; E946-A949 PolarHBondContact O-N 2.98Å; E946-W966 HydrophobicContact CB-CD2 3.92Å; E946-W966 HydrophobicContact CB-CE3 3.85Å; E946-W966 HydrophobicContact CB-CH2 3.96Å; E946-W966 HydrophobicContact CB-CZ2 4.02Å; E946-W966 HydrophobicContact CB-CZ3 3.88Å; E946-W966 HydrophobicContact CG-CD2 3.64Å; E946-W966 HydrophobicContact CG-CE3 4.08Å; E946-W966 HydrophobicContact CG-CG 3.88Å; E946-W966 HydrophobicContact CG-CZ2 4.18Å; E946-H970 IonicContact OE2-CD2 3.13Å; E946-H970 PolarHBondContact OE2-CD2 3.08Å; E946-H970 IonicContact OE2-CE1 3.79Å; E946-H970 IonicContact OE2-NE2 3.44Å; E946-H970 PolarHBondContact OE2-NE2 3.24Å
947E86Confident83.8Confident168 Ų16864.8 Ų64.879%0.78535%0.354SS*.Hα-helixtrans-62.7-30.4179.1-70.1-172.9165.500113E943E943-E947 PolarHBondContact O-N 3.38Å; E943-E947 VanDerWaalsContact O-N 3.11Å
948T84.8Confident84.5Confident42 Ų4267.4 Ų67.426%0.25837%0.372SS..THydrogen-bonded Turntrans-96.9-2-176.654.80000114.2E944 L945 E946 A996E944-T948 WeakPolarHBondContact O-CG2 3.45Å; E944-T948 PolarHBondContact O-N 3.14Å; E944-T948 PolarHBondContact O-OG1 2.7Å; L945-T948 PolarHBondContact O-OG1 3.13Å; E946-T948 PolarHBondContact O-N 3.34Å; T948-A996 HydrophobicContact CG2-CB 3.9Å
949A87.8Confident85.4Confident12 Ų1266.8 Ų66.810%0.09936%0.363CS..  trans-68.2132.7-18000000112.6L945 E946 Y951 W966 I1000L945-A949 PolarHBondContact O-N 3.02Å; E946-A949 PolarHBondContact O-N 2.98Å; A949-Y951 HydrophobicContact CB-CE2 4.35Å; A949-Y951 VanDerWaalsContact O-CE2 3.31Å; A949-Y951 WeakPolarHBondContact O-CE2 3.49Å; A949-W966 HydrophobicContact CB-CZ2 3.76Å; A949-I1000 HydrophobicContact CB-CD1 3.94Å; A949-I1000 HydrophobicContact CB-CG1 3.63Å
950I88.9Confident85.9Confident69 Ų6965.7 Ų65.735%0.35436%0.362SS..EExtended strand (participates in β ladder)trans-100.6131.4178.8-58.9174.7000109.2Q999 I1000 V1001 I1002I950-Q999 HydrophobicContact CD1-CB 4.5Å; I950-I1000 PolarHBondContact N-O 3.35Å; I950-V1001 HydrophobicContact CB-CG2 4.37Å; I950-V1001 CarbonylContact O-C 3.49Å; I950-V1001 VanDerWaalsContact O-CA 3.25Å; I950-V1001 WeakPolarHBondContact O-CA 3.25Å; I950-I1002 PolarHBondContact O-N 3.01Å
951Y90.5Very high86.1Confident45 Ų4564.1 Ų64.118%0.17636%0.357CS..EExtended strand (participates in β ladder)trans-106133.9-179.9-53.1-83.4000110.7A949 Y955 A957 V962 W966 I1002A949-Y951 HydrophobicContact CB-CE2 4.35Å; A949-Y951 VanDerWaalsContact O-CE2 3.31Å; A949-Y951 WeakPolarHBondContact O-CE2 3.49Å; Y951-Y955 VanDerWaalsContact CB-O 3.25Å; Y951-Y955 WeakPolarHBondContact CB-O 3.45Å; Y951-A957 HydrophobicContact CD2-CB 4.3Å; Y951-A957 HydrophobicContact CE2-CB 3.79Å; Y951-V962 HydrophobicContact CD1-CG1 4.03Å; Y951-V962 HydrophobicContact CD1-CG2 4Å; Y951-V962 HydrophobicContact CE1-CB 4.33Å; Y951-V962 HydrophobicContact CE1-CG1 3.29Å; Y951-V962 HydrophobicContact CE1-CG2 4.06Å; Y951-W966 AromaticContact CZ-NE1 3.93Å; Y951-W966 PolarHBondContact OH-NE1 2.8Å; Y951-I1002 WeakPolarHBondContact CA-O 3.31Å; Y951-I1002 HydrophobicContact CD1-CB 4.02Å; Y951-I1002 HydrophobicContact CE1-CB 4.29Å; Y951-I1002 HydrophobicContact CE1-CD1 4.03Å
952K85.9Confident86.3Confident104 Ų10460.9 Ų60.945%0.45234%0.339SS..EExtended strand (participates in β ladder)trans-126155.9179-69.4-172.8-174.7173.70111.7V1001 I1002 Q1003 S1004K952-V1001 HydrophobicContact CB-CG1 4.37Å; K952-V1001 HydrophobicContact CD-CG1 3.63Å; K952-V1001 HydrophobicContact CG-CG1 3.81Å; K952-I1002 PolarHBondContact N-O 3.21Å; K952-Q1003 HydrophobicContact CB-CB 4.33Å; K952-Q1003 HydrophobicContact CB-CG 4.36Å; K952-Q1003 WeakPolarHBondContact O-CA 3.39Å; K952-S1004 PolarHBondContact O-N 3.28Å
953G82.7Confident86.5Confident65 Ų6564.8 Ų64.867%0.6736%0.357SS*.THydrogen-bonded Turntrans77.9-129.9-175.700000111.5Y955G953-Y955 VanDerWaalsContact C-N 3.31Å
954D80.7Confident86.7Confident108 Ų10860 Ų6058%0.57834%0.335SS*.THydrogen-bonded Turntrans-86-1.5-179.3-64.3-28000113.4H959 S1004 K1026D954-H959 PolarHBondContact O-CD2 2.97Å; D954-S1004 PolarHBondContact N-OG 2.95Å; D954-K1026 IonicContact OD2-NZ 2.66Å; D954-K1026 PolarHBondContact OD2-NZ 3.1Å
955Y88.1Confident87.1Confident10 Ų1057.1 Ų57.14%0.03932%0.322CS..  trans-89.6141.9-177.1-70.7-23.1000113.3Y951 G953 H959 V962 I1002 L1024 P1025 K1026Y951-Y955 VanDerWaalsContact CB-O 3.25Å; Y951-Y955 WeakPolarHBondContact CB-O 3.45Å; G953-Y955 VanDerWaalsContact C-N 3.31Å; Y955-H959 HydrophobicContact CD1-CB 4.34Å; Y955-H959 AromaticContact CD1-CD2 3.92Å; Y955-H959 AromaticContact CD1-CE1 3.84Å; Y955-H959 AromaticContact CD1-CG 3.71Å; Y955-H959 AromaticContact CD1-ND1 3.64Å; Y955-H959 AromaticContact CE1-CE1 3.57Å; Y955-H959 AromaticContact CE1-ND1 3.64Å; Y955-V962 HydrophobicContact CD1-CG2 4.15Å; Y955-V962 HydrophobicContact CD2-CG2 4.25Å; Y955-V962 HydrophobicContact CG-CG2 3.88Å; Y955-I1002 HydrophobicContact CD2-CG2 4.05Å; Y955-I1002 HydrophobicContact CE2-CG2 4.39Å; Y955-L1024 HydrophobicContact CE2-CB 3.94Å; Y955-L1024 HydrophobicContact CE2-CD2 4.19Å; Y955-L1024 HydrophobicContact CE2-CG 4.29Å; Y955-L1024 VanDerWaalsContact CE2-O 3.31Å; Y955-L1024 WeakPolarHBondContact CE2-O 3.28Å; Y955-L1024 PolarHBondContact OH-O 3.06Å; Y955-P1025 VanDerWaalsContact OH-C 3.24Å; Y955-P1025 PolarHBondContact OH-O 3.13Å; Y955-P1025 VanDerWaalsContact OH-O 3.13Å; Y955-K1026 HydrophobicContact CE1-CG 4.02Å; Y955-K1026 WeakPolarHBondContact OH-CA 3.32Å; Y955-K1026 PolarHBondContact OH-N 3.2Å
956S87.2Confident87.4Confident52 Ų5257.3 Ų57.336%0.36432%0.323SS..  trans-138.8164.1170.369.10000108.5T958 H959S956-T958 PolarHBondContact O-N 3.46Å; S956-T958 PolarHBondContact OG-N 3.1Å; S956-T958 PolarHBondContact OG-OG1 3.38Å; S956-H959 VanDerWaalsContact O-CB 3.29Å; S956-H959 WeakPolarHBondContact O-CB 3.49Å; S956-H959 PolarHBondContact O-N 2.91Å; S956-H959 PolarHBondContact OG-N 3.15Å
957A85.3Confident87.5Confident63 Ų6358.5 Ų58.552%0.52133%0.329SS..THydrogen-bonded Turntrans-55.3-22.7176.700000113.4Y951Y951-A957 HydrophobicContact CD2-CB 4.3Å; Y951-A957 HydrophobicContact CE2-CB 3.79Å
958T87.1Confident87.7Confident104 Ų10450.6 Ų50.664%0.63829%0.291SS*.THydrogen-bonded Turntrans-94.5-5.7179.2560000114.3S956S956-T958 PolarHBondContact O-N 3.46Å; S956-T958 PolarHBondContact OG-N 3.1Å; S956-T958 PolarHBondContact OG-OG1 3.38Å
959H89.4Confident88Confident43 Ų4348.6 Ų48.620%0.19928%0.279CS..  trans-64136.2-176.7-171.9-79.2000111.3D954 Y955 S956 T961 V962 K963D954-H959 PolarHBondContact O-CD2 2.97Å; Y955-H959 HydrophobicContact CD1-CB 4.34Å; Y955-H959 AromaticContact CD1-CD2 3.92Å; Y955-H959 AromaticContact CD1-CE1 3.84Å; Y955-H959 AromaticContact CD1-CG 3.71Å; Y955-H959 AromaticContact CD1-ND1 3.64Å; Y955-H959 AromaticContact CE1-CE1 3.57Å; Y955-H959 AromaticContact CE1-ND1 3.64Å; S956-H959 VanDerWaalsContact O-CB 3.29Å; S956-H959 WeakPolarHBondContact O-CB 3.49Å; S956-H959 PolarHBondContact O-N 2.91Å; S956-H959 PolarHBondContact OG-N 3.15Å; H959-T961 PolarHBondContact CE1-OG1 3.4Å; H959-T961 PolarHBondContact ND1-N 3Å; H959-T961 PolarHBondContact O-N 3.38Å; H959-V962 HydrophobicContact CB-CB 4.29Å; H959-V962 HydrophobicContact CB-CG2 4.11Å; H959-V962 WeakPolarHBondContact O-CB 3.13Å; H959-V962 PolarHBondContact O-N 3.16Å; H959-K963 PolarHBondContact O-N 2.8Å; H959-K963 VanDerWaalsContact O-N 3.09Å
960P85.8Confident88.1Confident90 Ų9051 Ų5158%0.58429%0.288SS*.Hα-helixtrans-52.3-48.1-176.3-28.834.9000114.3V962 K963 L964P960-V962 VanDerWaalsContact C-N 3.31Å; P960-V962 PolarHBondContact O-N 3.24Å; P960-K963 PolarHBondContact O-N 3.2Å; P960-L964 VanDerWaalsContact O-CG 3.3Å; P960-L964 WeakPolarHBondContact O-CG 3.35Å; P960-L964 PolarHBondContact O-N 3.13Å
961T86.6Confident88.1Confident8 Ų854 Ų545%0.04930%0.301CS..Hα-helixtrans-62.8-32.9178-46.30000113.4H959 F965 L1024 Y1027 L1033H959-T961 PolarHBondContact CE1-OG1 3.4Å; H959-T961 PolarHBondContact ND1-N 3Å; H959-T961 PolarHBondContact O-N 3.38Å; T961-F965 WeakPolarHBondContact O-CB 3.5Å; T961-F965 PolarHBondContact O-N 3.17Å; T961-L1024 HydrophobicContact CG2-CD2 4.32Å; T961-Y1027 HydrophobicContact CG2-CD2 4.44Å; T961-Y1027 PolarHBondContact OG1-O 3.35Å; T961-L1033 HydrophobicContact CG2-CD1 4.25Å
962V88.8Confident88.1Confident1 Ų152.7 Ų52.71%0.00630%0.296CS..Hα-helixtrans-72-40.5178.2168.90000110.8Y951 Y955 H959 P960 F965 W966Y951-V962 HydrophobicContact CD1-CG1 4.03Å; Y951-V962 HydrophobicContact CD1-CG2 4Å; Y951-V962 HydrophobicContact CE1-CB 4.33Å; Y951-V962 HydrophobicContact CE1-CG1 3.29Å; Y951-V962 HydrophobicContact CE1-CG2 4.06Å; Y955-V962 HydrophobicContact CD1-CG2 4.15Å; Y955-V962 HydrophobicContact CD2-CG2 4.25Å; Y955-V962 HydrophobicContact CG-CG2 3.88Å; H959-V962 HydrophobicContact CB-CB 4.29Å; H959-V962 HydrophobicContact CB-CG2 4.11Å; H959-V962 WeakPolarHBondContact O-CB 3.13Å; H959-V962 PolarHBondContact O-N 3.16Å; P960-V962 VanDerWaalsContact C-N 3.31Å; P960-V962 PolarHBondContact O-N 3.24Å; V962-F965 WeakPolarHBondContact O-CB 3.42Å; V962-F965 PolarHBondContact O-N 2.98Å; V962-W966 PolarHBondContact O-N 3.42Å
963K89.2Confident88.3Confident107 Ų10751.6 Ų51.647%0.46530%0.299SS..Hα-helixtrans-62.1-46.1172.9-67.8-173.9177.3-173.50111.6H959 P960 F965 W966 E967H959-K963 PolarHBondContact O-N 2.8Å; H959-K963 VanDerWaalsContact O-N 3.09Å; P960-K963 PolarHBondContact O-N 3.2Å; K963-F965 PolarHBondContact O-N 3.09Å; K963-W966 PolarHBondContact O-N 3.03Å; K963-E967 WeakPolarHBondContact O-CB 3.32Å; K963-E967 VanDerWaalsContact O-CG 3.31Å; K963-E967 WeakPolarHBondContact O-CG 3.26Å; K963-E967 PolarHBondContact O-N 3.28Å
964L89.4Confident88.4Confident38 Ų3852.4 Ų52.420%0.19929%0.288CS..Hα-helixtrans-59.1-37.8175.2-68.7175000111.8P960 T968 K1030 L1033P960-L964 VanDerWaalsContact O-CG 3.3Å; P960-L964 WeakPolarHBondContact O-CG 3.35Å; P960-L964 PolarHBondContact O-N 3.13Å; L964-T968 VanDerWaalsContact O-CB 3.26Å; L964-T968 WeakPolarHBondContact O-CB 3.35Å; L964-T968 PolarHBondContact O-N 3.34Å; L964-T968 PolarHBondContact O-OG1 3.3Å; L964-K1030 HydrophobicContact CD2-CB 3.97Å; L964-K1030 HydrophobicContact CD2-CG 4.39Å; L964-L1033 HydrophobicContact CB-CD1 4.09Å
965F91.5Very high88.6Confident0 Ų052.8 Ų52.80%029%0.286CS..Hα-helixtrans-62-53.9175169.4-95.6000111.8T961 V962 K963 T968 F969 F980 I1002 L1022 L1024 L1033 L1037T961-F965 WeakPolarHBondContact O-CB 3.5Å; T961-F965 PolarHBondContact O-N 3.17Å; V962-F965 WeakPolarHBondContact O-CB 3.42Å; V962-F965 PolarHBondContact O-N 2.98Å; K963-F965 PolarHBondContact O-N 3.09Å; F965-T968 PolarHBondContact O-N 3.36Å; F965-F969 WeakPolarHBondContact O-CB 3.22Å; F965-F969 PolarHBondContact O-N 2.69Å; F965-F980 AromaticContact CE2-CE2 3.99Å; F965-F980 HydrophobicContact CE2-CE2 3.99Å; F965-F980 HydrophobicContact CE2-CZ 4.24Å; F965-F980 HydrophobicContact CZ-CE1 4.45Å; F965-F980 AromaticContact CZ-CE2 3.85Å; F965-F980 HydrophobicContact CZ-CE2 3.85Å; F965-F980 AromaticContact CZ-CZ 3.62Å; F965-F980 HydrophobicContact CZ-CZ 3.62Å; F965-I1002 HydrophobicContact CD1-CD1 4Å; F965-I1002 HydrophobicContact CE1-CD1 3.71Å; F965-I1002 HydrophobicContact CZ-CD1 4.36Å; F965-L1022 HydrophobicContact CE2-CD2 3.78Å; F965-L1022 HydrophobicContact CZ-CD2 3.96Å; F965-L1024 HydrophobicContact CB-CD2 4.08Å; F965-L1024 HydrophobicContact CD2-CD1 4.37Å; F965-L1024 HydrophobicContact CD2-CD2 4.27Å; F965-L1024 HydrophobicContact CG-CD2 4.23Å; F965-L1033 HydrophobicContact CB-CD1 4.02Å; F965-L1033 HydrophobicContact CD2-CD2 4.44Å; F965-L1037 HydrophobicContact CD2-CD2 4.17Å; F965-L1037 HydrophobicContact CE2-CD1 4.47Å; F965-L1037 HydrophobicContact CE2-CD2 3.93Å
966W92.3Very high88.3Confident4 Ų455 Ų552%0.01530%0.296CS..Hα-helixtrans-66.3-39.2-178.3-73.8118.8000113L945 E946 A949 Y951 V962 K963 T968 F969 H970 I1000 I1002L945-W966 HydrophobicContact CD2-CH2 4.13Å; L945-W966 HydrophobicContact CD2-CZ3 4.32Å; L945-W966 HydrophobicContact CG-CH2 4.08Å; E946-W966 HydrophobicContact CB-CD2 3.92Å; E946-W966 HydrophobicContact CB-CE3 3.85Å; E946-W966 HydrophobicContact CB-CH2 3.96Å; E946-W966 HydrophobicContact CB-CZ2 4.02Å; E946-W966 HydrophobicContact CB-CZ3 3.88Å; E946-W966 HydrophobicContact CG-CD2 3.64Å; E946-W966 HydrophobicContact CG-CE3 4.08Å; E946-W966 HydrophobicContact CG-CG 3.88Å; E946-W966 HydrophobicContact CG-CZ2 4.18Å; A949-W966 HydrophobicContact CB-CZ2 3.76Å; Y951-W966 AromaticContact CZ-NE1 3.93Å; Y951-W966 PolarHBondContact OH-NE1 2.8Å; V962-W966 PolarHBondContact O-N 3.42Å; K963-W966 PolarHBondContact O-N 3.03Å; W966-T968 VanDerWaalsContact C-N 3.32Å; W966-T968 PolarHBondContact O-N 2.77Å; W966-F969 HydrophobicContact CE3-CB 4.36Å; W966-F969 AromaticContact CE3-CD1 3.78Å; W966-F969 HydrophobicContact CE3-CD1 3.78Å; W966-F969 HydrophobicContact CE3-CG 4.33Å; W966-F969 AromaticContact CZ3-CD1 3.67Å; W966-F969 HydrophobicContact CZ3-CD1 3.67Å; W966-F969 AromaticContact CZ3-CE1 3.98Å; W966-F969 HydrophobicContact CZ3-CE1 3.98Å; W966-F969 HydrophobicContact CZ3-CG 4.36Å; W966-F969 PolarHBondContact O-N 2.86Å; W966-H970 WeakPolarHBondContact O-CB 3.42Å; W966-H970 PolarHBondContact O-CD2 3.33Å; W966-H970 PolarHBondContact O-N 2.94Å; W966-I1000 HydrophobicContact CH2-CD1 3.67Å; W966-I1000 HydrophobicContact CZ2-CD1 3.86Å; W966-I1002 HydrophobicContact CZ2-CD1 4.15Å
967E89.8Confident88.4Confident96 Ų9653.6 Ų53.645%0.44928%0.284SS..Hα-helixtrans-58.2-45.4171.9-73.9176.3-16500111.6K963 E971 K1030K963-E967 WeakPolarHBondContact O-CB 3.32Å; K963-E967 VanDerWaalsContact O-CG 3.31Å; K963-E967 WeakPolarHBondContact O-CG 3.26Å; K963-E967 PolarHBondContact O-N 3.28Å; E967-E971 WeakPolarHBondContact O-CG 3.38Å; E967-E971 PolarHBondContact O-N 3.09Å; E967-K1030 IonicContact OE2-NZ 3.48Å
968T90Very high88.3Confident1 Ų152.8 Ų52.81%0.00627%0.268CS..Hα-helixtrans-66.5-41.8177.7-58.90000111.7L964 F965 W966 E971 F972 K1030 L1033L964-T968 VanDerWaalsContact O-CB 3.26Å; L964-T968 WeakPolarHBondContact O-CB 3.35Å; L964-T968 PolarHBondContact O-N 3.34Å; L964-T968 PolarHBondContact O-OG1 3.3Å; F965-T968 PolarHBondContact O-N 3.36Å; W966-T968 VanDerWaalsContact C-N 3.32Å; W966-T968 PolarHBondContact O-N 2.77Å; T968-E971 PolarHBondContact O-N 3.29Å; T968-F972 HydrophobicContact CG2-CE1 4.11Å; T968-F972 HydrophobicContact CG2-CZ 4.02Å; T968-F972 PolarHBondContact O-N 3.3Å; T968-K1030 WeakPolarHBondContact OG1-CG 3.45Å; T968-L1033 HydrophobicContact CG2-CD2 3.91Å
969F90.6Very high88.1Confident0 Ų051.3 Ų51.30%025%0.253CS..Hα-helixtrans-64.7-44.2179.5179-102.3000111.6W942 L945 F965 W966 E971 F972 K977 F980W942-F969 HydrophobicContact CB-CE1 4.24Å; W942-F969 HydrophobicContact CD2-CE1 4.17Å; W942-F969 HydrophobicContact CD2-CZ 4.13Å; W942-F969 AromaticContact CE3-CE1 3.7Å; W942-F969 HydrophobicContact CE3-CE1 3.7Å; W942-F969 AromaticContact CE3-CZ 3.43Å; W942-F969 HydrophobicContact CE3-CZ 3.43Å; W942-F969 VanDerWaalsContact CE3-CZ 3.43Å; W942-F969 HydrophobicContact CG-CE1 4.43Å; W942-F969 HydrophobicContact CZ3-CE1 4.43Å; W942-F969 AromaticContact CZ3-CZ 3.71Å; W942-F969 HydrophobicContact CZ3-CZ 3.71Å; L945-F969 HydrophobicContact CD2-CE1 4.41Å; L945-F969 HydrophobicContact CD2-CZ 4.39Å; F965-F969 WeakPolarHBondContact O-CB 3.22Å; F965-F969 PolarHBondContact O-N 2.69Å; W966-F969 HydrophobicContact CE3-CB 4.36Å; W966-F969 AromaticContact CE3-CD1 3.78Å; W966-F969 HydrophobicContact CE3-CD1 3.78Å; W966-F969 HydrophobicContact CE3-CG 4.33Å; W966-F969 AromaticContact CZ3-CD1 3.67Å; W966-F969 HydrophobicContact CZ3-CD1 3.67Å; W966-F969 AromaticContact CZ3-CE1 3.98Å; W966-F969 HydrophobicContact CZ3-CE1 3.98Å; W966-F969 HydrophobicContact CZ3-CG 4.36Å; W966-F969 PolarHBondContact O-N 2.86Å; F969-E971 VanDerWaalsContact C-N 3.29Å; F969-E971 PolarHBondContact O-N 3.27Å; F969-F972 WeakPolarHBondContact O-CB 3.31Å; F969-F972 PolarHBondContact O-N 3.04Å; F969-F972 VanDerWaalsContact O-N 3.12Å; F969-K977 HydrophobicContact CE2-CB 4.29Å; F969-K977 HydrophobicContact CE2-CG 4.08Å; F969-K977 HydrophobicContact CZ-CB 4.19Å; F969-K977 HydrophobicContact CZ-CD 4.43Å; F969-K977 HydrophobicContact CZ-CG 4.04Å; F969-K977 WeakPolarHBondContact O-CE 3.3Å; F969-F980 HydrophobicContact CD2-CD1 4.05Å; F969-F980 HydrophobicContact CD2-CE1 4.43Å; F969-F980 HydrophobicContact CD2-CG 4.11Å; F969-F980 HydrophobicContact CE2-CB 3.88Å; F969-F980 AromaticContact CE2-CD1 3.3Å; F969-F980 HydrophobicContact CE2-CD1 3.3Å; F969-F980 HydrophobicContact CE2-CD2 4.45Å; F969-F980 AromaticContact CE2-CE1 3.93Å; F969-F980 HydrophobicContact CE2-CE1 3.93Å; F969-F980 AromaticContact CE2-CG 3.61Å; F969-F980 HydrophobicContact CE2-CG 3.61Å; F969-F980 AromaticContact CZ-CD1 3.95Å; F969-F980 HydrophobicContact CZ-CD1 3.95Å; F969-F980 HydrophobicContact CZ-CE1 4.42Å
970H90.4Very high88Confident63 Ų6349.3 Ų49.329%0.29224%0.244SC..Hα-helixtrans-66.2-31179.5-77.9-54.7000113.1E946 W966 F972 K977E946-H970 IonicContact OE2-CD2 3.13Å; E946-H970 PolarHBondContact OE2-CD2 3.08Å; E946-H970 IonicContact OE2-CE1 3.79Å; E946-H970 IonicContact OE2-NE2 3.44Å; E946-H970 PolarHBondContact OE2-NE2 3.24Å; W966-H970 WeakPolarHBondContact O-CB 3.42Å; W966-H970 PolarHBondContact O-CD2 3.33Å; W966-H970 PolarHBondContact O-N 2.94Å; H970-F972 VanDerWaalsContact C-N 3.28Å; H970-F972 PolarHBondContact O-N 3.1Å; H970-K977 PolarHBondContact O-NZ 3.44Å
971E89.8Confident87.9Confident133 Ų13345 Ų4562%0.62122%0.216SC*.Hα-helixtrans-70.2-17.2173.5-77174-177.100114E967 T968 F969 K1030E967-E971 WeakPolarHBondContact O-CG 3.38Å; E967-E971 PolarHBondContact O-N 3.09Å; T968-E971 PolarHBondContact O-N 3.29Å; F969-E971 VanDerWaalsContact C-N 3.29Å; F969-E971 PolarHBondContact O-N 3.27Å; E971-K1030 IonicContact OE1-NZ 2.79Å; E971-K1030 PolarHBondContact OE1-NZ 3.32Å; E971-K1030 WeakPolarHBondContact OE2-CE 3.38Å; E971-K1030 IonicContact OE2-NZ 2.64Å; E971-K1030 PolarHBondContact OE2-NZ 2.69Å
972F89.9Confident87.6Confident17 Ų1746.9 Ų46.98%0.07523%0.225CC..SBendtrans-68.6144.6179.6-76.4-16.8000113.4T968 F969 H970 K976 K977 L1037 L1041T968-F972 HydrophobicContact CG2-CE1 4.11Å; T968-F972 HydrophobicContact CG2-CZ 4.02Å; T968-F972 PolarHBondContact O-N 3.3Å; F969-F972 WeakPolarHBondContact O-CB 3.31Å; F969-F972 PolarHBondContact O-N 3.04Å; F969-F972 VanDerWaalsContact O-N 3.12Å; H970-F972 VanDerWaalsContact C-N 3.28Å; H970-F972 PolarHBondContact O-N 3.1Å; F972-K976 HydrophobicContact CB-CB 3.94Å; F972-K976 HydrophobicContact CD1-CD 4.06Å; F972-K976 HydrophobicContact CD2-CB 4.17Å; F972-K976 HydrophobicContact CE1-CD 4.29Å; F972-K976 HydrophobicContact CG-CB 4.07Å; F972-K976 HydrophobicContact CG-CD 4.21Å; F972-K977 HydrophobicContact CB-CG 4.02Å; F972-K977 WeakPolarHBondContact O-CE 3.41Å; F972-L1037 HydrophobicContact CE2-CD2 3.7Å; F972-L1037 HydrophobicContact CE2-CG 4.08Å; F972-L1037 HydrophobicContact CZ-CD2 4.12Å; F972-L1037 HydrophobicContact CZ-CG 4.37Å; F972-L1041 HydrophobicContact CD2-CD1 4.44Å; F972-L1041 HydrophobicContact CE2-CD1 3.91Å
973P89.1Confident87.2Confident80 Ų8048.2 Ų48.252%0.51923%0.231SC..  trans-65.1156.7169.729.2-35.1000110.8E975 K976 K977P973-E975 PolarHBondContact O-N 2.62Å; P973-E975 VanDerWaalsContact O-N 3.11Å; P973-K976 HydrophobicContact CG-CB 4.12Å; P973-K976 HydrophobicContact CG-CD 4.3Å; P973-K976 HydrophobicContact CG-CG 4.09Å; P973-K976 PolarHBondContact O-N 3.09Å; P973-K977 PolarHBondContact O-N 2.93Å; P973-K977 VanDerWaalsContact O-N 3.1Å
974L85.3Confident86.9Confident83 Ų8343.2 Ų43.244%0.43521%0.209SC..Hα-helixtrans-51.1-40.6-176.7-178.863.4000113Y940 W942 K976 K977 K978Y940-L974 HydrophobicContact CD2-CD1 3.97Å; Y940-L974 HydrophobicContact CE2-CD1 4.44Å; W942-L974 HydrophobicContact CZ2-CD1 4.13Å; L974-K976 PolarHBondContact O-N 3.23Å; L974-K977 PolarHBondContact O-N 3Å; L974-K978 WeakPolarHBondContact O-CG 3.28Å; L974-K978 PolarHBondContact O-N 3.33Å
975E84.3Confident86.1Confident115 Ų11541.7 Ų41.754%0.53720%0.202SC..Hα-helixtrans-62.7-38.5179.1-64.4-53.8126.200112.8P973 K978 K979P973-E975 PolarHBondContact O-N 2.62Å; P973-E975 VanDerWaalsContact O-N 3.11Å; E975-K978 IonicContact OE1-NZ 3.75Å; E975-K978 PolarHBondContact OE1-NZ 2.82Å; E975-K979 WeakPolarHBondContact O-CG 3.35Å; E975-K979 PolarHBondContact O-N 2.67Å
976K83.4Confident85.1Confident56 Ų5643.1 Ų43.124%0.24322%0.216CC..Hα-helixtrans-71.7-34.4174-81.2-166.8173.2-172.30112.2F972 P973 L974 K979 F980 T1038F972-K976 HydrophobicContact CB-CB 3.94Å; F972-K976 HydrophobicContact CD1-CD 4.06Å; F972-K976 HydrophobicContact CD2-CB 4.17Å; F972-K976 HydrophobicContact CE1-CD 4.29Å; F972-K976 HydrophobicContact CG-CB 4.07Å; F972-K976 HydrophobicContact CG-CD 4.21Å; P973-K976 HydrophobicContact CG-CB 4.12Å; P973-K976 HydrophobicContact CG-CD 4.3Å; P973-K976 HydrophobicContact CG-CG 4.09Å; P973-K976 PolarHBondContact O-N 3.09Å; L974-K976 PolarHBondContact O-N 3.23Å; K976-K979 PolarHBondContact O-N 2.91Å; K976-F980 PolarHBondContact O-N 3.3Å; K976-T1038 PolarHBondContact NZ-OG1 2.92Å
977K87.5Confident84.1Confident24 Ų2443.5 Ų43.510%0.10422%0.219CC..Hα-helixtrans-65.8-39.5174.7-65.9-179.1171.7170.40111.7W942 F969 H970 F972 P973 L974 F980 L981W942-K977 HydrophobicContact CD2-CB 4.34Å; W942-K977 HydrophobicContact CD2-CD 4.01Å; W942-K977 HydrophobicContact CG-CD 4.08Å; W942-K977 HydrophobicContact CH2-CB 3.72Å; W942-K977 HydrophobicContact CZ2-CB 3.49Å; W942-K977 VanDerWaalsContact CZ2-CB 3.49Å; W942-K977 HydrophobicContact CZ2-CD 4.37Å; W942-K977 HydrophobicContact CZ3-CB 4.24Å; F969-K977 HydrophobicContact CE2-CB 4.29Å; F969-K977 HydrophobicContact CE2-CG 4.08Å; F969-K977 HydrophobicContact CZ-CB 4.19Å; F969-K977 HydrophobicContact CZ-CD 4.43Å; F969-K977 HydrophobicContact CZ-CG 4.04Å; F969-K977 WeakPolarHBondContact O-CE 3.3Å; H970-K977 PolarHBondContact O-NZ 3.44Å; F972-K977 HydrophobicContact CB-CG 4.02Å; F972-K977 WeakPolarHBondContact O-CE 3.41Å; P973-K977 PolarHBondContact O-N 2.93Å; P973-K977 VanDerWaalsContact O-N 3.1Å; L974-K977 PolarHBondContact O-N 3Å; K977-F980 WeakPolarHBondContact O-CB 3.47Å; K977-F980 PolarHBondContact O-N 3.26Å; K977-L981 PolarHBondContact O-N 2.92Å
978K84.2Confident83.3Confident45 Ų4540.6 Ų40.620%0.19621%0.207CC..Hα-helixtrans-62.7-45.7171-71.8176.2-175.9165.70112.1Y940 L974 E975 F980 L981 L982 D988Y940-K978 HydrophobicContact CE2-CG 4.23Å; L974-K978 WeakPolarHBondContact O-CG 3.28Å; L974-K978 PolarHBondContact O-N 3.33Å; E975-K978 IonicContact OE1-NZ 3.75Å; E975-K978 PolarHBondContact OE1-NZ 2.82Å; K978-F980 VanDerWaalsContact C-N 3.26Å; K978-F980 PolarHBondContact O-N 2.94Å; K978-L981 WeakPolarHBondContact O-CB 3.33Å; K978-L981 PolarHBondContact O-N 3.48Å; K978-L981 VanDerWaalsContact O-N 3.13Å; K978-L982 WeakPolarHBondContact O-CB 3.24Å; K978-L982 PolarHBondContact O-N 3.36Å; K978-D988 HydrophobicContact CB-CB 4.26Å
979K83.4Confident82.5Confident74 Ų7444.4 Ų44.432%0.32222%0.221SC..Hα-helixtrans-58.2-38.5173.1-74.4-171.2-177.1-165.70112.2E975 K976 L982 F983 D1042E975-K979 WeakPolarHBondContact O-CG 3.35Å; E975-K979 PolarHBondContact O-N 2.67Å; K976-K979 PolarHBondContact O-N 2.91Å; K979-L982 PolarHBondContact O-N 2.99Å; K979-F983 VanDerWaalsContact O-CB 3.24Å; K979-F983 WeakPolarHBondContact O-CB 3.3Å; K979-F983 PolarHBondContact O-N 3.01Å; K979-D1042 IonicContact NZ-OD1 3.37Å; K979-D1042 PolarHBondContact NZ-OD1 3.42Å
980F86.3Confident81.8Confident0 Ų044.5 Ų44.50%022%0.222CC..Hα-helixtrans-64.3-43.4174.1175.3-92.8000112.6F965 F969 K976 K977 K978 L982 F983 L984 L1022 L1037 L1041F965-F980 AromaticContact CE2-CE2 3.99Å; F965-F980 HydrophobicContact CE2-CE2 3.99Å; F965-F980 HydrophobicContact CE2-CZ 4.24Å; F965-F980 HydrophobicContact CZ-CE1 4.45Å; F965-F980 AromaticContact CZ-CE2 3.85Å; F965-F980 HydrophobicContact CZ-CE2 3.85Å; F965-F980 AromaticContact CZ-CZ 3.62Å; F965-F980 HydrophobicContact CZ-CZ 3.62Å; F969-F980 HydrophobicContact CD2-CD1 4.05Å; F969-F980 HydrophobicContact CD2-CE1 4.43Å; F969-F980 HydrophobicContact CD2-CG 4.11Å; F969-F980 HydrophobicContact CE2-CB 3.88Å; F969-F980 AromaticContact CE2-CD1 3.3Å; F969-F980 HydrophobicContact CE2-CD1 3.3Å; F969-F980 HydrophobicContact CE2-CD2 4.45Å; F969-F980 AromaticContact CE2-CE1 3.93Å; F969-F980 HydrophobicContact CE2-CE1 3.93Å; F969-F980 AromaticContact CE2-CG 3.61Å; F969-F980 HydrophobicContact CE2-CG 3.61Å; F969-F980 AromaticContact CZ-CD1 3.95Å; F969-F980 HydrophobicContact CZ-CD1 3.95Å; F969-F980 HydrophobicContact CZ-CE1 4.42Å; K976-F980 PolarHBondContact O-N 3.3Å; K977-F980 WeakPolarHBondContact O-CB 3.47Å; K977-F980 PolarHBondContact O-N 3.26Å; K978-F980 VanDerWaalsContact C-N 3.26Å; K978-F980 PolarHBondContact O-N 2.94Å; F980-L982 VanDerWaalsContact C-N 3.31Å; F980-L982 PolarHBondContact O-N 2.96Å; F980-F983 WeakPolarHBondContact O-CB 3.46Å; F980-F983 PolarHBondContact O-N 3.03Å; F980-L984 HydrophobicContact CE1-CB 4.47Å; F980-L984 HydrophobicContact CE1-CD2 3.87Å; F980-L984 HydrophobicContact CZ-CB 4.49Å; F980-L984 HydrophobicContact CZ-CD2 3.89Å; F980-L984 WeakPolarHBondContact O-CB 3.29Å; F980-L984 PolarHBondContact O-N 2.9Å; F980-L1022 HydrophobicContact CE2-CD2 4.08Å; F980-L1022 HydrophobicContact CZ-CD2 4.18Å; F980-L1037 HydrophobicContact CD2-CD1 4.26Å; F980-L1037 HydrophobicContact CE2-CD1 4.33Å; F980-L1041 VanDerWaalsContact CA-CD2 3.45Å; F980-L1041 HydrophobicContact CB-CD1 3.96Å; F980-L1041 HydrophobicContact CB-CD2 3.92Å; F980-L1041 HydrophobicContact CD2-CD2 4.08Å; F980-L1041 HydrophobicContact CG-CD2 4.48Å
981L83.8Confident80.9Confident1 Ų143 Ų431%0.00522%0.217CC..Hα-helixtrans-62.1-42.4176.2-166.664.3000111.3Y940 W942 K977 K978 L984 T985 S987 I990 M995 L998Y940-L981 HydrophobicContact CD1-CD2 4.28Å; Y940-L981 HydrophobicContact CE1-CD2 3.85Å; W942-L981 HydrophobicContact CH2-CB 4.43Å; W942-L981 HydrophobicContact CH2-CD2 4.41Å; K977-L981 PolarHBondContact O-N 2.92Å; K978-L981 WeakPolarHBondContact O-CB 3.33Å; K978-L981 PolarHBondContact O-N 3.48Å; K978-L981 VanDerWaalsContact O-N 3.13Å; L981-L984 PolarHBondContact O-N 2.98Å; L981-T985 HydrophobicContact CD1-CG2 3.84Å; L981-T985 HydrophobicContact CG-CG2 4.45Å; L981-T985 WeakPolarHBondContact O-CB 3.3Å; L981-T985 PolarHBondContact O-N 2.85Å; L981-T985 PolarHBondContact O-OG1 3.48Å; L981-S987 CarbonylContact C-O 3.51Å; L981-I990 HydrophobicContact CD2-CG2 3.75Å; L981-M995 HydrophobicContact CD1-CE 3.8Å; L981-M995 HydrophobicContact CD2-CE 4.39Å; L981-L998 HydrophobicContact CD1-CD2 3.55Å
982L79.6Confident80Confident46 Ų4637.3 Ų37.324%0.24119%0.191CC..Hα-helixtrans-62.4-44.8174.5-176.561000111.8K978 K979 F980 L984 G986 S987 D988 Y1044K978-L982 WeakPolarHBondContact O-CB 3.24Å; K978-L982 PolarHBondContact O-N 3.36Å; K979-L982 PolarHBondContact O-N 2.99Å; F980-L982 VanDerWaalsContact C-N 3.31Å; F980-L982 PolarHBondContact O-N 2.96Å; L982-L984 VanDerWaalsContact C-N 3.33Å; L982-L984 PolarHBondContact O-N 3.37Å; L982-G986 VanDerWaalsContact O-CA 3.28Å; L982-G986 WeakPolarHBondContact O-CA 3.32Å; L982-G986 PolarHBondContact O-N 3.05Å; L982-S987 WeakPolarHBondContact CA-O 3.29Å; L982-S987 PolarHBondContact N-O 3Å; L982-D988 HydrophobicContact CB-CB 4.44Å; L982-Y1044 HydrophobicContact CD2-CE2 3.51Å; L982-Y1044 WeakPolarHBondContact CD2-OH 3.47Å; L982-Y1044 HydrophobicContact CG-CE2 3.8Å
983F82.3Confident79.1Confident30 Ų3040.4 Ų40.413%0.13220%0.203CC..Hα-helixtrans-60-40.8175.1174.3-110.8000112.3K979 F980 P1013 A1015 T1017 L1022 A1040 L1041K979-F983 VanDerWaalsContact O-CB 3.24Å; K979-F983 WeakPolarHBondContact O-CB 3.3Å; K979-F983 PolarHBondContact O-N 3.01Å; F980-F983 WeakPolarHBondContact O-CB 3.46Å; F980-F983 PolarHBondContact O-N 3.03Å; F983-P1013 WeakPolarHBondContact CZ-O 3.31Å; F983-A1015 HydrophobicContact CD1-CB 3.86Å; F983-A1015 HydrophobicContact CD2-CB 4.39Å; F983-A1015 HydrophobicContact CE1-CB 3.57Å; F983-A1015 HydrophobicContact CE2-CB 4.14Å; F983-A1015 HydrophobicContact CG-CB 4.27Å; F983-A1015 HydrophobicContact CZ-CB 3.73Å; F983-A1015 WeakPolarHBondContact O-CB 3.23Å; F983-T1017 WeakPolarHBondContact O-CG2 3.04Å; F983-L1022 HydrophobicContact CE1-CD1 3.85Å; F983-A1040 HydrophobicContact CZ-CB 4.23Å; F983-L1041 HydrophobicContact CB-CD2 3.58Å; F983-L1041 HydrophobicContact CD1-CD2 3.8Å; F983-L1041 HydrophobicContact CG-CD2 3.75Å
984L81.6Confident78.2Confident1 Ų137.3 Ų37.31%0.00519%0.186CC..Hα-helixtrans-86.2-32.9-175.1-175.861.6000114.1F980 L981 L982 I1000 A1015 T1017 L1022F980-L984 HydrophobicContact CE1-CB 4.47Å; F980-L984 HydrophobicContact CE1-CD2 3.87Å; F980-L984 HydrophobicContact CZ-CB 4.49Å; F980-L984 HydrophobicContact CZ-CD2 3.89Å; F980-L984 WeakPolarHBondContact O-CB 3.29Å; F980-L984 PolarHBondContact O-N 2.9Å; L981-L984 PolarHBondContact O-N 2.98Å; L982-L984 VanDerWaalsContact C-N 3.33Å; L982-L984 PolarHBondContact O-N 3.37Å; L984-I1000 HydrophobicContact CD2-CB 3.89Å; L984-I1000 HydrophobicContact CD2-CD1 4.43Å; L984-I1000 HydrophobicContact CD2-CG2 3.45Å; L984-I1000 VanDerWaalsContact CD2-CG2 3.45Å; L984-A1015 HydrophobicContact CD1-CB 4.16Å; L984-T1017 VanDerWaalsContact O-CA 3.26Å; L984-T1017 WeakPolarHBondContact O-CA 3.35Å; L984-L1022 HydrophobicContact CD1-CB 3.87Å
985T73.6Confident77.9Confident7 Ų733.4 Ų33.44%0.04317%0.165CC..Hα-helixtrans-119.3-13.4-168.173.10000113.7K748 L981 S987 L998K748-T985 PolarHBondContact NZ-O 3.4Å; K748-T985 VanDerWaalsContact NZ-O 3.09Å; L981-T985 HydrophobicContact CD1-CG2 3.84Å; L981-T985 HydrophobicContact CG-CG2 4.45Å; L981-T985 WeakPolarHBondContact O-CB 3.3Å; L981-T985 PolarHBondContact O-N 2.85Å; L981-T985 PolarHBondContact O-OG1 3.48Å; T985-S987 VanDerWaalsContact C-N 3.3Å; T985-S987 PolarHBondContact OG1-N 2.7Å; T985-S987 PolarHBondContact OG1-O 3.28Å; T985-L998 HydrophobicContact CG2-CD1 3.88Å; T985-L998 HydrophobicContact CG2-CD2 3.88Å; T985-L998 HydrophobicContact CG2-CG 4.33Å
986G70.1Confident77.3Confident29 Ų2929.5 Ų29.530%0.29915%0.153SC..SBendtrans82.70.9-172.800000114.2L982L982-G986 VanDerWaalsContact O-CA 3.28Å; L982-G986 WeakPolarHBondContact O-CA 3.32Å; L982-G986 PolarHBondContact O-N 3.05Å
987S71.6Confident76.9Confident12 Ų1229.3 Ų29.38%0.08416%0.158CC..  trans-142.3150.4175.1-176.70000110.6L981 L982 T985 R989L981-S987 CarbonylContact C-O 3.51Å; L982-S987 WeakPolarHBondContact CA-O 3.29Å; L982-S987 PolarHBondContact N-O 3Å; T985-S987 VanDerWaalsContact C-N 3.3Å; T985-S987 PolarHBondContact OG1-N 2.7Å; T985-S987 PolarHBondContact OG1-O 3.28Å; S987-R989 VanDerWaalsContact C-N 3.26Å; S987-R989 WeakPolarHBondContact OG-CB 3.44Å; S987-R989 PolarHBondContact OG-N 3.05Å; S987-R989 VanDerWaalsContact OG-N 3.07Å
988D71.7Confident76.4Confident35 Ų3528.7 Ų28.719%0.18716%0.156CC..SBendtrans-88.36.2168.577.3-25.1000112.5Y940 K978 L982Y940-D988 WeakPolarHBondContact CE1-O 3.49Å; Y940-D988 PolarHBondContact OH-O 2.96Å; K978-D988 HydrophobicContact CB-CB 4.26Å; L982-D988 HydrophobicContact CB-CB 4.44Å
989R74.1Confident76Confident82 Ų8232.3 Ų32.331%0.30917%0.174SC..  trans-103.2152.3179.4-52.9-57.4-178176.31.2111.3V935 S987V935-R989 HydrophobicContact CG1-CG 4.33Å; V935-R989 WeakPolarHBondContact O-CB 3.43Å; V935-R989 WeakPolarHBondContact O-CG 3.38Å; S987-R989 VanDerWaalsContact C-N 3.26Å; S987-R989 WeakPolarHBondContact OG-CB 3.44Å; S987-R989 PolarHBondContact OG-N 3.05Å; S987-R989 VanDerWaalsContact OG-N 3.07Å
990I75.4Confident76.2Confident1 Ų128.8 Ų28.81%0.00516%0.159CC..BIsolated β-bridgetrans-105.4151.1179.565.5165.3000110.3G936 N937 N939 Y940 L981 M995G936-I990 CarbonylContact C-O 3.29Å; G936-I990 WeakPolarHBondContact CA-O 3.43Å; N937-I990 HydrophobicContact CB-CD1 4.44Å; N937-I990 HydrophobicContact CB-CG1 3.94Å; N937-I990 PolarHBondContact N-O 3.44Å; N937-I990 VanDerWaalsContact O-CG1 3.3Å; N937-I990 WeakPolarHBondContact O-CG1 3.47Å; N937-I990 PolarHBondContact O-N 2.79Å; N939-I990 WeakPolarHBondContact O-CD1 3.48Å; Y940-I990 HydrophobicContact CD1-CG2 3.94Å; Y940-I990 HydrophobicContact CE1-CG2 4.06Å; L981-I990 HydrophobicContact CD2-CG2 3.75Å; I990-M995 HydrophobicContact CB-SD 4.17Å; I990-M995 HydrophobicContact CG2-CE 4.24Å; I990-M995 HydrophobicContact CG2-SD 3.28Å; I990-M995 WeakPolarHBondContact CG2-SD 3.49Å
991P72.1Confident76.2Confident31 Ų3129.6 Ų29.620%0.20116%0.163CC..  trans-59156.1172.9-19.631.1000111.9V804 Y993 G994 S997 L998V804-P991 HydrophobicContact CG2-CB 4.38Å; P991-Y993 PolarHBondContact O-N 3.33Å; P991-Y993 VanDerWaalsContact O-N 3.11Å; P991-G994 PolarHBondContact O-N 2.88Å; P991-S997 WeakPolarHBondContact CB-OG 3.49Å; P991-L998 HydrophobicContact CG-CD1 4.4Å
992I70.8Confident76.5Confident14 Ų1429.5 Ų29.57%0.07216%0.163CC..THydrogen-bonded Turntrans-62.4-24.6-174.5-157.3165.3000113.7A659 Q660 T663 A932 M933 G994A659-I992 HydrophobicContact CB-CD1 3.46Å; A659-I992 VanDerWaalsContact CB-CD1 3.46Å; A659-I992 HydrophobicContact CB-CG1 4.33Å; Q660-I992 HydrophobicContact CG-CG1 4.37Å; Q660-I992 VanDerWaalsContact CG-O 3.32Å; Q660-I992 WeakPolarHBondContact CG-O 3.27Å; Q660-I992 PolarHBondContact NE2-O 2.76Å; T663-I992 HydrophobicContact CG2-CG2 3.9Å; A932-I992 HydrophobicContact CB-CD1 4.35Å; M933-I992 HydrophobicContact CB-CD1 4.13Å; I992-G994 PolarHBondContact O-N 2.93Å
993Y70.3Confident77Confident82 Ų8230.7 Ų30.732%0.32217%0.167SC..THydrogen-bonded Turntrans-72.6-0.2175.6-62.7-68.2000114Q660 T663 K664 Q667 P991Q660-Y993 HydrophobicContact CB-CD1 4.42Å; Q660-Y993 HydrophobicContact CB-CE1 4.41Å; Q660-Y993 HydrophobicContact CG-CD1 4.48Å; T663-Y993 HydrophobicContact CG2-CE2 4.21Å; K664-Y993 PolarHBondContact N-OH 3.08Å; Q667-Y993 PolarHBondContact OE1-OH 3.37Å; P991-Y993 PolarHBondContact O-N 3.33Å; P991-Y993 VanDerWaalsContact O-N 3.11Å
994G71.8Confident77.2Confident15 Ų1530.1 Ų30.116%0.15517%0.167CC..  trans91.2-178.1178.800000113P991 I992 A996 S997P991-G994 PolarHBondContact O-N 2.88Å; I992-G994 PolarHBondContact O-N 2.93Å; G994-A996 VanDerWaalsContact C-N 3.33Å; G994-A996 PolarHBondContact O-N 2.83Å; G994-S997 PolarHBondContact O-N 2.85Å; G994-S997 PolarHBondContact O-OG 3.01Å
995M78.1Confident77.1Confident1 Ų131.8 Ų31.81%0.00518%0.177CC..G310 helixtrans-68.3-31.4-171.1-156.969.5169.700112.6N941 W942 E944 L945 L981 I990 S997 L998N941-M995 HydrophobicContact CB-CB 4.42Å; N941-M995 WeakPolarHBondContact O-CB 3.29Å; N941-M995 VanDerWaalsContact O-CG 3.3Å; N941-M995 WeakPolarHBondContact O-CG 3.48Å; W942-M995 HydrophobicContact CE3-CE 3.67Å; W942-M995 HydrophobicContact CH2-CE 4.29Å; W942-M995 HydrophobicContact CZ3-CE 3.42Å; W942-M995 VanDerWaalsContact CZ3-CE 3.42Å; E944-M995 HydrophobicContact CB-CB 4.48Å; L945-M995 HydrophobicContact CB-CE 4.03Å; L945-M995 HydrophobicContact CB-CG 3.69Å; L945-M995 HydrophobicContact CD1-CE 3.74Å; L945-M995 HydrophobicContact CD1-CG 4.08Å; L945-M995 HydrophobicContact CD1-SD 4.48Å; L945-M995 HydrophobicContact CD2-CE 3.58Å; L945-M995 HydrophobicContact CG-CE 3.95Å; L945-M995 HydrophobicContact CG-CG 4.41Å; L981-M995 HydrophobicContact CD1-CE 3.8Å; L981-M995 HydrophobicContact CD2-CE 4.39Å; I990-M995 HydrophobicContact CB-SD 4.17Å; I990-M995 HydrophobicContact CG2-CE 4.24Å; I990-M995 HydrophobicContact CG2-SD 3.28Å; I990-M995 WeakPolarHBondContact CG2-SD 3.49Å; M995-S997 PolarHBondContact O-N 3.3Å; M995-L998 HydrophobicContact CE-CD2 4.23Å; M995-L998 WeakPolarHBondContact O-CB 3.39Å; M995-L998 PolarHBondContact O-N 2.91Å
996A72.3Confident76.7Confident33 Ų3336.9 Ų36.927%0.27322%0.22SC..G310 helixtrans-60.2-27.217700000114.2E944 T948 G994 L998E944-A996 HydrophobicContact CG-CB 3.58Å; E944-A996 WeakPolarHBondContact OE1-CB 3.46Å; T948-A996 HydrophobicContact CG2-CB 3.9Å; G994-A996 VanDerWaalsContact C-N 3.33Å; G994-A996 PolarHBondContact O-N 2.83Å; A996-L998 PolarHBondContact O-N 3.38Å
997S74.3Confident76.4Confident52 Ų5237.9 Ų37.936%0.36422%0.222SC..G310 helixtrans-72.6-18.6177.969.50000112.6P991 G994 M995 Q999P991-S997 WeakPolarHBondContact CB-OG 3.49Å; G994-S997 PolarHBondContact O-N 2.85Å; G994-S997 PolarHBondContact O-OG 3.01Å; M995-S997 PolarHBondContact O-N 3.3Å; S997-Q999 PolarHBondContact O-N 2.9Å; S997-Q999 VanDerWaalsContact O-N 3.16Å
998L76.6Confident76.2Confident12 Ų1238.9 Ų38.96%0.06324%0.235CC..  trans-85.583.3177.6-168.291000109.9L945 L981 T985 P991 M995 A996 I1000L945-L998 HydrophobicContact CD1-CD2 3.8Å; L981-L998 HydrophobicContact CD1-CD2 3.55Å; T985-L998 HydrophobicContact CG2-CD1 3.88Å; T985-L998 HydrophobicContact CG2-CD2 3.88Å; T985-L998 HydrophobicContact CG2-CG 4.33Å; P991-L998 HydrophobicContact CG-CD1 4.4Å; M995-L998 HydrophobicContact CE-CD2 4.23Å; M995-L998 WeakPolarHBondContact O-CB 3.39Å; M995-L998 PolarHBondContact O-N 2.91Å; A996-L998 PolarHBondContact O-N 3.38Å; L998-I1000 HydrophobicContact CD2-CG2 3.9Å; L998-I1000 HydrophobicContact CG-CG2 4.29Å; L998-I1000 PolarHBondContact O-N 3.13Å; L998-I1000 VanDerWaalsContact O-N 3.09Å
999Q77.2Confident76.3Confident120 Ų12040.9 Ų40.956%0.56124%0.243SC*.  trans-69.9107.7174.1-68.3-175.1-3.600110.2I950 S997I950-Q999 HydrophobicContact CD1-CB 4.5Å; S997-Q999 PolarHBondContact O-N 2.9Å; S997-Q999 VanDerWaalsContact O-N 3.16Å
1000I86.6Confident76.3Confident1 Ų143.5 Ų43.51%0.00526%0.259CS..  trans-91.8144.3172.166.7166.5000110.1L945 A949 I950 W966 L984 L998 I1002 N1020L945-I1000 HydrophobicContact CD1-CD1 4.21Å; L945-I1000 HydrophobicContact CD1-CG1 4.26Å; L945-I1000 HydrophobicContact CD1-CG2 3.78Å; L945-I1000 HydrophobicContact CD2-CD1 4.32Å; L945-I1000 HydrophobicContact CG-CD1 4.08Å; A949-I1000 HydrophobicContact CB-CD1 3.94Å; A949-I1000 HydrophobicContact CB-CG1 3.63Å; I950-I1000 PolarHBondContact N-O 3.35Å; W966-I1000 HydrophobicContact CH2-CD1 3.67Å; W966-I1000 HydrophobicContact CZ2-CD1 3.86Å; L984-I1000 HydrophobicContact CD2-CB 3.89Å; L984-I1000 HydrophobicContact CD2-CD1 4.43Å; L984-I1000 HydrophobicContact CD2-CG2 3.45Å; L984-I1000 VanDerWaalsContact CD2-CG2 3.45Å; L998-I1000 HydrophobicContact CD2-CG2 3.9Å; L998-I1000 HydrophobicContact CG-CG2 4.29Å; L998-I1000 PolarHBondContact O-N 3.13Å; L998-I1000 VanDerWaalsContact O-N 3.09Å; I1000-I1002 HydrophobicContact CD1-CD1 4.38Å; I1000-N1020 WeakPolarHBondContact CA-O 3.4Å
1001V86.7Confident76.5Confident16 Ų1649.5 Ų49.510%0.09728%0.282CS..EExtended strand (participates in β ladder)trans-115.9121.3178.1-177.10000109.1I950 K952 N1020 L1021 L1022I950-V1001 HydrophobicContact CB-CG2 4.37Å; I950-V1001 CarbonylContact O-C 3.49Å; I950-V1001 VanDerWaalsContact O-CA 3.25Å; I950-V1001 WeakPolarHBondContact O-CA 3.25Å; K952-V1001 HydrophobicContact CB-CG1 4.37Å; K952-V1001 HydrophobicContact CD-CG1 3.63Å; K952-V1001 HydrophobicContact CG-CG1 3.81Å; V1001-N1020 PolarHBondContact N-O 3.46Å; V1001-L1021 HydrophobicContact CB-CB 4.3Å; V1001-L1021 HydrophobicContact CB-CD1 4.29Å; V1001-L1021 HydrophobicContact CB-CG 4.19Å; V1001-L1021 HydrophobicContact CG1-CD1 3.96Å; V1001-L1021 HydrophobicContact CG1-CG 4.22Å; V1001-L1021 CarbonylContact O-C 3.49Å; V1001-L1021 VanDerWaalsContact O-CA 3.29Å; V1001-L1021 WeakPolarHBondContact O-CA 3.48Å; V1001-L1022 PolarHBondContact O-N 2.89Å
1002I89.7Confident77.1Confident0 Ų051 Ų510%029%0.288CS..EExtended strand (participates in β ladder)trans-106.7118.2175.3-54.9-178.7000108.9I950 Y951 K952 Y955 F965 W966 I1000 L1022 L1024I950-I1002 PolarHBondContact O-N 3.01Å; Y951-I1002 WeakPolarHBondContact CA-O 3.31Å; Y951-I1002 HydrophobicContact CD1-CB 4.02Å; Y951-I1002 HydrophobicContact CE1-CB 4.29Å; Y951-I1002 HydrophobicContact CE1-CD1 4.03Å; K952-I1002 PolarHBondContact N-O 3.21Å; Y955-I1002 HydrophobicContact CD2-CG2 4.05Å; Y955-I1002 HydrophobicContact CE2-CG2 4.39Å; F965-I1002 HydrophobicContact CD1-CD1 4Å; F965-I1002 HydrophobicContact CE1-CD1 3.71Å; F965-I1002 HydrophobicContact CZ-CD1 4.36Å; W966-I1002 HydrophobicContact CZ2-CD1 4.15Å; I1000-I1002 HydrophobicContact CD1-CD1 4.38Å; I1002-L1022 WeakPolarHBondContact CA-O 3.41Å; I1002-L1022 HydrophobicContact CG1-CB 4.44Å; I1002-L1024 HydrophobicContact CG2-CB 3.96Å; I1002-L1024 HydrophobicContact CG2-CD2 3.99Å
1003Q89.4Confident77.8Confident71 Ų7150.6 Ų50.633%0.33229%0.286SS..EExtended strand (participates in β ladder)trans-115.1139.6-176.6-179.5171.1-42.700111.1K952 L1021 L1022 L1024K952-Q1003 HydrophobicContact CB-CB 4.33Å; K952-Q1003 HydrophobicContact CB-CG 4.36Å; K952-Q1003 WeakPolarHBondContact O-CA 3.39Å; Q1003-L1021 HydrophobicContact CB-CD2 4.33Å; Q1003-L1022 PolarHBondContact N-O 3.21Å; Q1003-L1024 PolarHBondContact O-N 2.8Å
1004S86.1Confident78.5Confident17 Ų1750.3 Ų50.312%0.11929%0.293CS..EExtended strand (participates in β ladder)trans-77.4130.5174.363.90000111.8K952 D954K952-S1004 PolarHBondContact O-N 3.28Å; D954-S1004 PolarHBondContact N-OG 2.95Å
1005T80.8Confident79Confident37 Ų3750.2 Ų50.223%0.22729%0.291CS..EExtended strand (participates in β ladder)trans-98.6146.2172.1-35.60000111.1S1007 L1024T1005-S1007 WeakPolarHBondContact CG2-OG 3.5Å; T1005-S1007 PolarHBondContact O-N 3.48Å; T1005-L1024 PolarHBondContact N-O 3.26Å
1006A65.1Low79Confident114 Ų11453.7 Ų53.794%0.94231%0.307SS*.SBendtrans-78.20.6176.500000114.1
1007S63.4Low79Confident49 Ų4952.6 Ų52.634%0.34330%0.297SS..SBendtrans-76.4153.7-178.2-480000112.1T1005T1005-S1007 WeakPolarHBondContact CG2-OG 3.5Å; T1005-S1007 PolarHBondContact O-N 3.48Å
1008G67.2Low78.6Confident34 Ų3451 Ų5135%0.35129%0.286SS..  trans-67.3171.4179.900000114.6E1010 Y1011G1008-E1010 PolarHBondContact O-N 2.69Å; G1008-Y1011 WeakPolarHBondContact O-CD2 3.31Å; G1008-Y1011 PolarHBondContact O-N 3.13Å
1009E74.9Confident78.3Confident76 Ų7656.9 Ų56.936%0.35531%0.308SS..THydrogen-bonded Turntrans-65.7-7.4-178.9-60-171.2178.300114.7K1026 Y1027 S1028E1009-K1026 WeakPolarHBondContact CG-O 3.25Å; E1009-Y1027 HydrophobicContact CB-CD1 4.3Å; E1009-Y1027 WeakPolarHBondContact O-CE1 3.25Å; E1009-S1028 VanDerWaalsContact CD-OG 3.27Å; E1009-S1028 WeakPolarHBondContact OE1-CB 3.47Å; E1009-S1028 PolarHBondContact OE1-N 2.99Å; E1009-S1028 VanDerWaalsContact OE1-N 3.1Å; E1009-S1028 PolarHBondContact OE1-OG 2.99Å; E1009-S1028 VanDerWaalsContact OE1-OG 3.13Å; E1009-S1028 PolarHBondContact OE2-OG 3.49Å
1010E73.8Confident78.5Confident137 Ų13752.4 Ų52.464%0.6429%0.288SS*.THydrogen-bonded Turntrans-81.2-15.7179.159.3-156.3165.500114G1008G1008-E1010 PolarHBondContact O-N 2.69Å
1011Y79.8Confident78.4Confident128 Ų12853.4 Ų53.450%0.50229%0.293SS..SBendtrans-84.3147.7-179.8-67.4-93.6000111.8G1008 Y1027G1008-Y1011 WeakPolarHBondContact O-CD2 3.31Å; G1008-Y1011 PolarHBondContact O-N 3.13Å; Y1011-Y1027 PolarHBondContact O-OH 3.44Å
1012L84.1Confident78.5Confident63 Ų6352.7 Ų52.733%0.3329%0.289SS..PPolyproline II helixtrans-78.7151.8173.2-65.9174000110.5R1036 Q1039L1012-R1036 HydrophobicContact CD2-CB 4.21Å; L1012-R1036 WeakPolarHBondContact CD2-O 3.48Å; L1012-Q1039 HydrophobicContact CD2-CB 4.02Å; L1012-Q1039 HydrophobicContact CD2-CG 4.04Å
1013P85.6Confident78.4Confident4 Ų454.1 Ų54.13%0.02630%0.296CS..PPolyproline II helixtrans-63.4141.6167.828.2-32.7000109.9F983 L1022 D1023 L1024 Y1027 L1037 A1040F983-P1013 WeakPolarHBondContact CZ-O 3.31Å; P1013-L1022 HydrophobicContact CB-CD1 4.17Å; P1013-D1023 WeakPolarHBondContact CA-O 3.49Å; P1013-L1024 HydrophobicContact CB-CD1 4.21Å; P1013-Y1027 WeakPolarHBondContact CD-OH 3.29Å; P1013-L1037 HydrophobicContact CG-CD1 3.91Å; P1013-A1040 HydrophobicContact CG-CB 3.76Å
1014V84.3Confident78.3Confident76 Ų7650.8 Ų50.846%0.46128%0.281SS..EExtended strand (participates in β ladder)trans-119.8134.8-178.4-179.90000109.1D1023V1014-D1023 HydrophobicContact CB-CB 4.32Å; V1014-D1023 PolarHBondContact N-O 2.96Å; V1014-D1023 PolarHBondContact O-N 3.44Å
1015A82.4Confident78.4Confident13 Ų1350.1 Ų50.111%0.10728%0.276CS..EExtended strand (participates in β ladder)trans-108.8137.2177.400000111.6F983 L984 L1021 L1022F983-A1015 HydrophobicContact CD1-CB 3.86Å; F983-A1015 HydrophobicContact CD2-CB 4.39Å; F983-A1015 HydrophobicContact CE1-CB 3.57Å; F983-A1015 HydrophobicContact CE2-CB 4.14Å; F983-A1015 HydrophobicContact CG-CB 4.27Å; F983-A1015 HydrophobicContact CZ-CB 3.73Å; F983-A1015 WeakPolarHBondContact O-CB 3.23Å; L984-A1015 HydrophobicContact CD1-CB 4.16Å; A1015-L1021 CarbonylContact C-O 3.53Å; A1015-L1021 WeakPolarHBondContact CA-O 3.37Å; A1015-L1022 HydrophobicContact CB-CD1 4.46Å
1016H79.8Confident78.7Confident74 Ų7452.4 Ų52.434%0.34328%0.283SS..EExtended strand (participates in β ladder)trans-107.992.3169.3-57.2-92.1000108.4C1018 Y1019 N1020 L1021 D1023H1016-C1018 PolarHBondContact O-N 2.88Å; H1016-C1018 VanDerWaalsContact O-N 3.15Å; H1016-Y1019 PolarHBondContact O-N 3.39Å; H1016-N1020 PolarHBondContact O-N 3.49Å; H1016-N1020 VanDerWaalsContact O-N 3.13Å; H1016-L1021 HydrophobicContact CB-CB 4.33Å; H1016-L1021 PolarHBondContact N-O 3.45Å; H1016-L1021 PolarHBondContact O-N 2.82Å; H1016-D1023 IonicContact CD2-OD2 3.51Å; H1016-D1023 PolarHBondContact CD2-OD2 3.24Å; H1016-D1023 IonicContact CE1-OD2 3.42Å; H1016-D1023 IonicContact NE2-OD2 3.79Å; H1016-D1023 PolarHBondContact NE2-OD2 2.95Å
1017T70.8Confident79.6Confident11 Ų1147.3 Ų47.37%0.06724%0.239CC..THydrogen-bonded Turntrans-63.2-23.2-170.767.60000114.7K748 F983 L984 Y1019 N1020 F1047K748-T1017 PolarHBondContact NZ-O 3.44Å; F983-T1017 WeakPolarHBondContact O-CG2 3.04Å; L984-T1017 VanDerWaalsContact O-CA 3.26Å; L984-T1017 WeakPolarHBondContact O-CA 3.35Å; T1017-Y1019 PolarHBondContact O-N 3.43Å; T1017-N1020 PolarHBondContact O-OD1 3.37Å; T1017-F1047 HydrophobicContact CG2-CE2 3.91Å; T1017-F1047 HydrophobicContact CG2-CZ 3.8Å; T1017-F1047 WeakPolarHBondContact OG1-CE2 3.26Å; T1017-F1047 WeakPolarHBondContact OG1-CZ 3.32Å
1018C66.1Low80.5Confident19 Ų1948.7 Ų48.713%0.12825%0.249CC..THydrogen-bonded Turntrans-67.4-26.8176.9-48.10000112.3G745 E749 H1016G745-C1018 WeakPolarHBondContact CA-O 3.18Å; E749-C1018 VanDerWaalsContact CB-SG 3.59Å; E749-C1018 VanDerWaalsContact CD-SG 3.51Å; E749-C1018 PolarHBondContact OE2-SG 3.2Å; H1016-C1018 PolarHBondContact O-N 2.88Å; H1016-C1018 VanDerWaalsContact O-N 3.15Å
1019Y71.2Confident81.4Confident134 Ų13448.6 Ų48.653%0.52524%0.243SC..THydrogen-bonded Turntrans-116.94.9-178.3-62.2-75.3000113.2H1016 T1017 L1021H1016-Y1019 PolarHBondContact O-N 3.39Å; T1017-Y1019 PolarHBondContact O-N 3.43Å; Y1019-L1021 PolarHBondContact O-N 2.85Å
1020N81.6Confident81.9Confident27 Ų2747 Ų4714%0.14424%0.235CC..THydrogen-bonded Turntrans47.738.7-170-52.6-30000111.7K748 I1000 V1001 H1016 T1017K748-N1020 PolarHBondContact NZ-OD1 2.87Å; I1000-N1020 WeakPolarHBondContact CA-O 3.4Å; V1001-N1020 PolarHBondContact N-O 3.46Å; H1016-N1020 PolarHBondContact O-N 3.49Å; H1016-N1020 VanDerWaalsContact O-N 3.13Å; T1017-N1020 PolarHBondContact O-OD1 3.37Å
1021L84.6Confident82.4Confident22 Ų2247 Ų4712%0.11524%0.235CC..EExtended strand (participates in β ladder)trans-103.9129.4-172.2-175.2150.1000110.3V1001 Q1003 A1015 H1016 Y1019 D1023V1001-L1021 HydrophobicContact CB-CB 4.3Å; V1001-L1021 HydrophobicContact CB-CD1 4.29Å; V1001-L1021 HydrophobicContact CB-CG 4.19Å; V1001-L1021 HydrophobicContact CG1-CD1 3.96Å; V1001-L1021 HydrophobicContact CG1-CG 4.22Å; V1001-L1021 CarbonylContact O-C 3.49Å; V1001-L1021 VanDerWaalsContact O-CA 3.29Å; V1001-L1021 WeakPolarHBondContact O-CA 3.48Å; Q1003-L1021 HydrophobicContact CB-CD2 4.33Å; A1015-L1021 CarbonylContact C-O 3.53Å; A1015-L1021 WeakPolarHBondContact CA-O 3.37Å; H1016-L1021 HydrophobicContact CB-CB 4.33Å; H1016-L1021 PolarHBondContact N-O 3.45Å; H1016-L1021 PolarHBondContact O-N 2.82Å; Y1019-L1021 PolarHBondContact O-N 2.85Å; L1021-D1023 WeakPolarHBondContact CD2-OD1 3.48Å
1022L88.5Confident82.6Confident1 Ų143.8 Ų43.81%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-108.6111.1175.1-174.769000109.5F965 F980 F983 L984 V1001 I1002 Q1003 P1013 A1015 L1024F965-L1022 HydrophobicContact CE2-CD2 3.78Å; F965-L1022 HydrophobicContact CZ-CD2 3.96Å; F980-L1022 HydrophobicContact CE2-CD2 4.08Å; F980-L1022 HydrophobicContact CZ-CD2 4.18Å; F983-L1022 HydrophobicContact CE1-CD1 3.85Å; L984-L1022 HydrophobicContact CD1-CB 3.87Å; V1001-L1022 PolarHBondContact O-N 2.89Å; I1002-L1022 WeakPolarHBondContact CA-O 3.41Å; I1002-L1022 HydrophobicContact CG1-CB 4.44Å; Q1003-L1022 PolarHBondContact N-O 3.21Å; P1013-L1022 HydrophobicContact CB-CD1 4.17Å; A1015-L1022 HydrophobicContact CB-CD1 4.46Å; L1022-L1024 HydrophobicContact CG-CB 4.48Å; L1022-L1024 PolarHBondContact O-N 2.88Å
1023D87.2Confident82.8Confident29 Ų2940.8 Ų40.816%0.15521%0.21CC..EExtended strand (participates in β ladder)trans-77.9106.3166-79.6-35.2000108.4P1013 V1014 H1016 L1021P1013-D1023 WeakPolarHBondContact CA-O 3.49Å; V1014-D1023 HydrophobicContact CB-CB 4.32Å; V1014-D1023 PolarHBondContact N-O 2.96Å; V1014-D1023 PolarHBondContact O-N 3.44Å; H1016-D1023 IonicContact CD2-OD2 3.51Å; H1016-D1023 PolarHBondContact CD2-OD2 3.24Å; H1016-D1023 IonicContact CE1-OD2 3.42Å; H1016-D1023 IonicContact NE2-OD2 3.79Å; H1016-D1023 PolarHBondContact NE2-OD2 2.95Å; L1021-D1023 WeakPolarHBondContact CD2-OD1 3.48Å
1024L87.9Confident82.8Confident1 Ų142.4 Ų42.41%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-109.3118.1-176.6-176.772.6000109.4Y955 T961 F965 I1002 Q1003 T1005 P1013 L1022 Y1027Y955-L1024 HydrophobicContact CE2-CB 3.94Å; Y955-L1024 HydrophobicContact CE2-CD2 4.19Å; Y955-L1024 HydrophobicContact CE2-CG 4.29Å; Y955-L1024 VanDerWaalsContact CE2-O 3.31Å; Y955-L1024 WeakPolarHBondContact CE2-O 3.28Å; Y955-L1024 PolarHBondContact OH-O 3.06Å; T961-L1024 HydrophobicContact CG2-CD2 4.32Å; F965-L1024 HydrophobicContact CB-CD2 4.08Å; F965-L1024 HydrophobicContact CD2-CD1 4.37Å; F965-L1024 HydrophobicContact CD2-CD2 4.27Å; F965-L1024 HydrophobicContact CG-CD2 4.23Å; I1002-L1024 HydrophobicContact CG2-CB 3.96Å; I1002-L1024 HydrophobicContact CG2-CD2 3.99Å; Q1003-L1024 PolarHBondContact O-N 2.8Å; T1005-L1024 PolarHBondContact N-O 3.26Å; P1013-L1024 HydrophobicContact CB-CD1 4.21Å; L1022-L1024 HydrophobicContact CG-CB 4.48Å; L1022-L1024 PolarHBondContact O-N 2.88Å; L1024-Y1027 HydrophobicContact CD1-CD2 4.35Å; L1024-Y1027 HydrophobicContact CD1-CE2 3.86Å
1025P87.7Confident82.9Confident3 Ų341.6 Ų41.62%0.01922%0.223CC..EExtended strand (participates in β ladder)trans-66.8154.3171.5-23.935000112.9Y955 Y1027Y955-P1025 VanDerWaalsContact OH-C 3.24Å; Y955-P1025 PolarHBondContact OH-O 3.13Å; Y955-P1025 VanDerWaalsContact OH-O 3.13Å; P1025-Y1027 HydrophobicContact CB-CE1 4.12Å; P1025-Y1027 HydrophobicContact CB-CE2 4.19Å; P1025-Y1027 WeakPolarHBondContact CD-OH 3.48Å; P1025-Y1027 HydrophobicContact CG-CE2 4.41Å; P1025-Y1027 WeakPolarHBondContact CG-OH 3.36Å; P1025-Y1027 VanDerWaalsContact O-CD2 3.22Å; P1025-Y1027 WeakPolarHBondContact O-CD2 3.41Å; P1025-Y1027 PolarHBondContact O-N 2.91Å
1026K86.1Confident83Confident86 Ų8644.8 Ų44.837%0.37423%0.232SC..  trans-76.889178.4-66.9-179.4-176.8176.10111D954 Y955 E1009D954-K1026 IonicContact OD2-NZ 2.66Å; D954-K1026 PolarHBondContact OD2-NZ 3.1Å; Y955-K1026 HydrophobicContact CE1-CG 4.02Å; Y955-K1026 WeakPolarHBondContact OH-CA 3.32Å; Y955-K1026 PolarHBondContact OH-N 3.2Å; E1009-K1026 WeakPolarHBondContact CG-O 3.25Å
1027Y85Confident83.3Confident7 Ų741.3 Ų41.33%0.02722%0.216CC..  trans-79.7141.2175.9-57.5-67.1000113T961 E1009 Y1011 P1013 L1024 P1025 I1032 L1033 R1036T961-Y1027 HydrophobicContact CG2-CD2 4.44Å; T961-Y1027 PolarHBondContact OG1-O 3.35Å; E1009-Y1027 HydrophobicContact CB-CD1 4.3Å; E1009-Y1027 WeakPolarHBondContact O-CE1 3.25Å; Y1011-Y1027 PolarHBondContact O-OH 3.44Å; P1013-Y1027 WeakPolarHBondContact CD-OH 3.29Å; L1024-Y1027 HydrophobicContact CD1-CD2 4.35Å; L1024-Y1027 HydrophobicContact CD1-CE2 3.86Å; P1025-Y1027 HydrophobicContact CB-CE1 4.12Å; P1025-Y1027 HydrophobicContact CB-CE2 4.19Å; P1025-Y1027 WeakPolarHBondContact CD-OH 3.48Å; P1025-Y1027 HydrophobicContact CG-CE2 4.41Å; P1025-Y1027 WeakPolarHBondContact CG-OH 3.36Å; P1025-Y1027 VanDerWaalsContact O-CD2 3.22Å; P1025-Y1027 WeakPolarHBondContact O-CD2 3.41Å; P1025-Y1027 PolarHBondContact O-N 2.91Å; Y1027-I1032 HydrophobicContact CD1-CG2 3.82Å; Y1027-I1032 HydrophobicContact CE1-CG2 4.42Å; Y1027-L1033 HydrophobicContact CD2-CB 3.99Å; Y1027-L1033 HydrophobicContact CD2-CD1 3.94Å; Y1027-L1033 HydrophobicContact CD2-CG 3.8Å; Y1027-L1033 HydrophobicContact CE2-CG 4.37Å; Y1027-L1033 HydrophobicContact CG-CB 4.2Å; Y1027-L1033 HydrophobicContact CG-CG 4.5Å; Y1027-R1036 HydrophobicContact CE1-CB 4.24Å; Y1027-R1036 HydrophobicContact CE1-CG 4.04Å
1028S81.6Confident84Confident78 Ų7842 Ų4255%0.54522%0.22SC..SBendtrans-82.1-27179.153.80000114.9E1009E1009-S1028 VanDerWaalsContact CD-OG 3.27Å; E1009-S1028 WeakPolarHBondContact OE1-CB 3.47Å; E1009-S1028 PolarHBondContact OE1-N 2.99Å; E1009-S1028 VanDerWaalsContact OE1-N 3.1Å; E1009-S1028 PolarHBondContact OE1-OG 2.99Å; E1009-S1028 VanDerWaalsContact OE1-OG 3.13Å; E1009-S1028 PolarHBondContact OE2-OG 3.49Å
1029S85.9Confident84.9Confident31 Ų3145 Ų4522%0.21723%0.232CC..SBendtrans-137155.6-176.8106.30000113.2E1031 I1032 L1033S1029-E1031 VanDerWaalsContact C-N 3.34Å; S1029-E1031 WeakPolarHBondContact CB-OE2 3.48Å; S1029-E1031 PolarHBondContact OG-N 3.37Å; S1029-E1031 PolarHBondContact OG-OE2 3.5Å; S1029-I1032 PolarHBondContact OG-N 3.16Å; S1029-L1033 PolarHBondContact O-N 3.23Å; S1029-L1033 VanDerWaalsContact O-N 3.16Å
1030K85.8Confident85.5Confident44 Ų4439 Ų3919%0.19121%0.21CC..Hα-helixtrans-63.9-38.8178.4-166.5175.5173.6172.70112.1L964 E967 T968 E971 L1033 S1034L964-K1030 HydrophobicContact CD2-CB 3.97Å; L964-K1030 HydrophobicContact CD2-CG 4.39Å; E967-K1030 IonicContact OE2-NZ 3.48Å; T968-K1030 WeakPolarHBondContact OG1-CG 3.45Å; E971-K1030 IonicContact OE1-NZ 2.79Å; E971-K1030 PolarHBondContact OE1-NZ 3.32Å; E971-K1030 WeakPolarHBondContact OE2-CE 3.38Å; E971-K1030 IonicContact OE2-NZ 2.64Å; E971-K1030 PolarHBondContact OE2-NZ 2.69Å; K1030-L1033 PolarHBondContact O-N 3.43Å; K1030-S1034 VanDerWaalsContact O-CB 3.29Å; K1030-S1034 WeakPolarHBondContact O-CB 3.46Å; K1030-S1034 PolarHBondContact O-N 3.26Å
1031E84.4Confident85.7Confident137 Ų13737.8 Ų37.864%0.6420%0.203SC*.Hα-helixtrans-65.9-41.8-177.9-5872.5-15700110.9S1029 A1035S1029-E1031 VanDerWaalsContact C-N 3.34Å; S1029-E1031 WeakPolarHBondContact CB-OE2 3.48Å; S1029-E1031 PolarHBondContact OG-N 3.37Å; S1029-E1031 PolarHBondContact OG-OE2 3.5Å; E1031-A1035 VanDerWaalsContact O-CB 3.28Å; E1031-A1035 WeakPolarHBondContact O-CB 3.42Å; E1031-A1035 PolarHBondContact O-N 2.79Å
1032I84.8Confident85.5Confident60 Ų6040.3 Ų40.331%0.30822%0.217SC..Hα-helixtrans-65.2-47.8175.9-62.3170.5000109.7Y1027 S1029 S1034 A1035 R1036Y1027-I1032 HydrophobicContact CD1-CG2 3.82Å; Y1027-I1032 HydrophobicContact CE1-CG2 4.42Å; S1029-I1032 PolarHBondContact OG-N 3.16Å; I1032-S1034 PolarHBondContact O-N 2.81Å; I1032-A1035 PolarHBondContact O-N 3.49Å; I1032-R1036 HydrophobicContact CG2-CG 4.18Å; I1032-R1036 WeakPolarHBondContact O-CB 3.46Å; I1032-R1036 WeakPolarHBondContact O-CG 3.4Å; I1032-R1036 PolarHBondContact O-N 3.44Å
1033L87Confident84.8Confident0 Ų045.8 Ų45.80%025%0.247CC..Hα-helixtrans-58.8-47.6177.9-171.2156.3000111.4T961 L964 F965 T968 Y1027 S1029 K1030 R1036 L1037T961-L1033 HydrophobicContact CG2-CD1 4.25Å; L964-L1033 HydrophobicContact CB-CD1 4.09Å; F965-L1033 HydrophobicContact CB-CD1 4.02Å; F965-L1033 HydrophobicContact CD2-CD2 4.44Å; T968-L1033 HydrophobicContact CG2-CD2 3.91Å; Y1027-L1033 HydrophobicContact CD2-CB 3.99Å; Y1027-L1033 HydrophobicContact CD2-CD1 3.94Å; Y1027-L1033 HydrophobicContact CD2-CG 3.8Å; Y1027-L1033 HydrophobicContact CE2-CG 4.37Å; Y1027-L1033 HydrophobicContact CG-CB 4.2Å; Y1027-L1033 HydrophobicContact CG-CG 4.5Å; S1029-L1033 PolarHBondContact O-N 3.23Å; S1029-L1033 VanDerWaalsContact O-N 3.16Å; K1030-L1033 PolarHBondContact O-N 3.43Å; L1033-R1036 PolarHBondContact O-N 2.82Å; L1033-L1037 HydrophobicContact CD2-CB 4.45Å; L1033-L1037 HydrophobicContact CD2-CD2 4.25Å; L1033-L1037 WeakPolarHBondContact O-CB 3.31Å; L1033-L1037 PolarHBondContact O-N 3.25Å
1034S86.7Confident83.8Confident37 Ų3748.8 Ų48.826%0.25926%0.256SS..Hα-helixtrans-63.5-42.4-179.8-174.40000112.8K1030 I1032 T1038K1030-S1034 VanDerWaalsContact O-CB 3.29Å; K1030-S1034 WeakPolarHBondContact O-CB 3.46Å; K1030-S1034 PolarHBondContact O-N 3.26Å; I1032-S1034 PolarHBondContact O-N 2.81Å; S1034-T1038 WeakPolarHBondContact O-CB 3.39Å; S1034-T1038 PolarHBondContact O-N 3.33Å; S1034-T1038 PolarHBondContact O-OG1 3.46Å
1035A85.4Confident82.1Confident60 Ų6057.4 Ų57.450%0.49630%0.297SS..Hα-helixtrans-65.4-45.6176.600000111.6E1031 I1032 Q1039E1031-A1035 VanDerWaalsContact O-CB 3.28Å; E1031-A1035 WeakPolarHBondContact O-CB 3.42Å; E1031-A1035 PolarHBondContact O-N 2.79Å; I1032-A1035 PolarHBondContact O-N 3.49Å; A1035-Q1039 VanDerWaalsContact O-CB 3.26Å; A1035-Q1039 WeakPolarHBondContact O-CB 3.31Å; A1035-Q1039 PolarHBondContact O-N 3.4Å
1036R85.9Confident79.9Confident79 Ų7959.6 Ų59.630%0.29832%0.32SS..Hα-helixtrans-70-41.7-179.9-66.6-61.9-175.5-170.66.9112.5L1012 Y1027 I1032 L1033 Q1039 A1040L1012-R1036 HydrophobicContact CD2-CB 4.21Å; L1012-R1036 WeakPolarHBondContact CD2-O 3.48Å; Y1027-R1036 HydrophobicContact CE1-CB 4.24Å; Y1027-R1036 HydrophobicContact CE1-CG 4.04Å; I1032-R1036 HydrophobicContact CG2-CG 4.18Å; I1032-R1036 WeakPolarHBondContact O-CB 3.46Å; I1032-R1036 WeakPolarHBondContact O-CG 3.4Å; I1032-R1036 PolarHBondContact O-N 3.44Å; L1033-R1036 PolarHBondContact O-N 2.82Å; R1036-Q1039 VanDerWaalsContact NH1-OE1 3.1Å; R1036-Q1039 PolarHBondContact O-N 2.86Å; R1036-A1040 PolarHBondContact O-N 2.79Å
1037L85.7Confident78Confident2 Ų262.1 Ų62.11%0.0133%0.331CS..Hα-helixtrans-64.6-45.9175.1-174.462.1000110.5F965 F972 F980 P1013 L1033 Q1039 A1040 L1041F965-L1037 HydrophobicContact CD2-CD2 4.17Å; F965-L1037 HydrophobicContact CE2-CD1 4.47Å; F965-L1037 HydrophobicContact CE2-CD2 3.93Å; F972-L1037 HydrophobicContact CE2-CD2 3.7Å; F972-L1037 HydrophobicContact CE2-CG 4.08Å; F972-L1037 HydrophobicContact CZ-CD2 4.12Å; F972-L1037 HydrophobicContact CZ-CG 4.37Å; F980-L1037 HydrophobicContact CD2-CD1 4.26Å; F980-L1037 HydrophobicContact CE2-CD1 4.33Å; P1013-L1037 HydrophobicContact CG-CD1 3.91Å; L1033-L1037 HydrophobicContact CD2-CB 4.45Å; L1033-L1037 HydrophobicContact CD2-CD2 4.25Å; L1033-L1037 WeakPolarHBondContact O-CB 3.31Å; L1033-L1037 PolarHBondContact O-N 3.25Å; L1037-Q1039 VanDerWaalsContact C-N 3.32Å; L1037-Q1039 PolarHBondContact O-N 2.87Å; L1037-A1040 PolarHBondContact O-N 3.37Å; L1037-L1041 HydrophobicContact CG-CD1 4.3Å; L1037-L1041 VanDerWaalsContact O-CG 3.24Å; L1037-L1041 WeakPolarHBondContact O-CG 3.49Å; L1037-L1041 PolarHBondContact O-N 3.24Å
1038T85.6Confident75.3Confident24 Ų2466.4 Ų66.415%0.14736%0.362CS..Hα-helixtrans-58.7-44.3173.9-64.80000111.4K976 S1034 A1040 L1041 D1042K976-T1038 PolarHBondContact NZ-OG1 2.92Å; S1034-T1038 WeakPolarHBondContact O-CB 3.39Å; S1034-T1038 PolarHBondContact O-N 3.33Å; S1034-T1038 PolarHBondContact O-OG1 3.46Å; T1038-A1040 VanDerWaalsContact C-N 3.32Å; T1038-A1040 PolarHBondContact O-N 3.33Å; T1038-L1041 PolarHBondContact O-N 2.96Å; T1038-D1042 VanDerWaalsContact CG2-OD2 3.32Å; T1038-D1042 WeakPolarHBondContact CG2-OD2 3.41Å; T1038-D1042 PolarHBondContact O-N 3.37Å
1039Q84.6Confident72.8Confident83 Ų8371.1 Ų71.139%0.38838%0.38SS..Hα-helixtrans-61.6-38.8177.9-174178.29.500112.3L1012 A1035 R1036 L1037 N1043L1012-Q1039 HydrophobicContact CD2-CB 4.02Å; L1012-Q1039 HydrophobicContact CD2-CG 4.04Å; A1035-Q1039 VanDerWaalsContact O-CB 3.26Å; A1035-Q1039 WeakPolarHBondContact O-CB 3.31Å; A1035-Q1039 PolarHBondContact O-N 3.4Å; R1036-Q1039 VanDerWaalsContact NH1-OE1 3.1Å; R1036-Q1039 PolarHBondContact O-N 2.86Å; L1037-Q1039 VanDerWaalsContact C-N 3.32Å; L1037-Q1039 PolarHBondContact O-N 2.87Å; Q1039-N1043 PolarHBondContact O-N 3.49Å; Q1039-N1043 PolarHBondContact O-ND2 3.12Å
1040A84.1Confident70Confident8 Ų877.7 Ų77.77%0.06644%0.436CS..Hα-helixtrans-66.6-42.2174.200000111.9F983 P1013 R1036 L1037 T1038 D1042 N1043 Y1044F983-A1040 HydrophobicContact CZ-CB 4.23Å; P1013-A1040 HydrophobicContact CG-CB 3.76Å; R1036-A1040 PolarHBondContact O-N 2.79Å; L1037-A1040 PolarHBondContact O-N 3.37Å; T1038-A1040 VanDerWaalsContact C-N 3.32Å; T1038-A1040 PolarHBondContact O-N 3.33Å; A1040-D1042 PolarHBondContact O-N 3.25Å; A1040-N1043 PolarHBondContact O-N 3Å; A1040-Y1044 PolarHBondContact O-N 3.39Å
1041L84.4Confident69.2Low1 Ų179.4 Ų79.41%0.00545%0.448CS..Hα-helixtrans-71.4-24.6-179.6-65.8-177.9000114.5F972 F980 F983 L1037 T1038 Y1044F972-L1041 HydrophobicContact CD2-CD1 4.44Å; F972-L1041 HydrophobicContact CE2-CD1 3.91Å; F980-L1041 VanDerWaalsContact CA-CD2 3.45Å; F980-L1041 HydrophobicContact CB-CD1 3.96Å; F980-L1041 HydrophobicContact CB-CD2 3.92Å; F980-L1041 HydrophobicContact CD2-CD2 4.08Å; F980-L1041 HydrophobicContact CG-CD2 4.48Å; F983-L1041 HydrophobicContact CB-CD2 3.58Å; F983-L1041 HydrophobicContact CD1-CD2 3.8Å; F983-L1041 HydrophobicContact CG-CD2 3.75Å; L1037-L1041 HydrophobicContact CG-CD1 4.3Å; L1037-L1041 VanDerWaalsContact O-CG 3.24Å; L1037-L1041 WeakPolarHBondContact O-CG 3.49Å; L1037-L1041 PolarHBondContact O-N 3.24Å; T1038-L1041 PolarHBondContact O-N 2.96Å; L1041-Y1044 WeakPolarHBondContact O-CD1 3.44Å
1042D80.2Confident68.4Low76 Ų7676.3 Ų76.341%0.40644%0.438SS..Hα-helixtrans-91.4-16.6179.1-72.9-33.6000112.9K979 T1038 A1040K979-D1042 IonicContact NZ-OD1 3.37Å; K979-D1042 PolarHBondContact NZ-OD1 3.42Å; T1038-D1042 VanDerWaalsContact CG2-OD2 3.32Å; T1038-D1042 WeakPolarHBondContact CG2-OD2 3.41Å; T1038-D1042 PolarHBondContact O-N 3.37Å; A1040-D1042 PolarHBondContact O-N 3.25Å
1043N73.9Confident67.5Low116 Ų11677.2 Ų77.262%0.6245%0.445SS*.SBendtrans-11525-179.2-61.2-66.9000113.5Q1039 A1040 E1045Q1039-N1043 PolarHBondContact O-N 3.49Å; Q1039-N1043 PolarHBondContact O-ND2 3.12Å; A1040-N1043 PolarHBondContact O-N 3Å; N1043-E1045 PolarHBondContact O-N 3.43Å
1044Y66.5Low66.3Low91 Ų9181.8 Ų81.836%0.35747%0.472SS..  trans-78.711.9-171.978.1-75.4000115.6L982 A1040 L1041 G1046L982-Y1044 HydrophobicContact CD2-CE2 3.51Å; L982-Y1044 WeakPolarHBondContact CD2-OH 3.47Å; L982-Y1044 HydrophobicContact CG-CE2 3.8Å; A1040-Y1044 PolarHBondContact O-N 3.39Å; L1041-Y1044 WeakPolarHBondContact O-CD1 3.44Å; Y1044-G1046 VanDerWaalsContact C-N 3.32Å; Y1044-G1046 PolarHBondContact O-N 2.89Å
1045E51.9Low65Low183 Ų18384.6 Ų84.686%0.85549%0.485SS*.  trans-60.589-176.5-77.3-169.1166.400112.4N1043N1043-E1045 PolarHBondContact O-N 3.43Å
1046G43.3Very low63.7Low49 Ų4986.2 Ų86.251%0.50548%0.484SS..SBendtrans81.3146163.400000115.6Y1044 S1048Y1044-G1046 VanDerWaalsContact C-N 3.32Å; Y1044-G1046 PolarHBondContact O-N 2.89Å; G1046-S1048 PolarHBondContact O-N 3.38Å
1047F44.7Very low62.1Low138 Ų13886.7 Ų86.761%0.60550%0.497SS*.  trans-57.683.4162.1-78.9-92.9000110.4T1017T1017-F1047 HydrophobicContact CG2-CE2 3.91Å; T1017-F1047 HydrophobicContact CG2-CZ 3.8Å; T1017-F1047 WeakPolarHBondContact OG1-CE2 3.26Å; T1017-F1047 WeakPolarHBondContact OG1-CZ 3.32Å
1048S29.4Very low60.3Low97 Ų9793.2 Ų93.268%0.67854%0.535SS*.  trans-121.886.2161.462.40000107.8G1046 A1050G1046-S1048 PolarHBondContact O-N 3.38Å; S1048-A1050 VanDerWaalsContact C-N 3.33Å; S1048-A1050 PolarHBondContact O-N 2.89Å
1049L29.3Very low58.2Low178 Ų17899 Ų9993%0.93257%0.567SS**  trans-63.1109.5141-80.4157.9000104.7
1050A25.7Very low55.8Low168 Ų168100.5 Ų100.5100%1.38858%0.584SS**  trans-58.90163.700000110.3S1048S1048-A1050 VanDerWaalsContact C-N 3.33Å; S1048-A1050 PolarHBondContact O-N 2.89Å

Retrieved 1,050 of 1,050 residues in 1723.6 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).