A0A087WX41_HUMAN Loading...

Clathrin heavy chain like 1

AlphaFold DB , UniProt , Accession A0A087WX41, Species HUMAN (Homo sapiens, Human), Gene CLTCL1, Length 1,260 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35.7Very low78.7Confident243 Ų24396 Ų96100%1.19749%0.488SS*.  0119.70-72179.3-175.700106.7Q3M1-Q3 PolarHBondContact O-N 3.3Å; M1-Q3 VanDerWaalsContact O-N 3.12Å
2A37.9Very low79.9Confident107 Ų10794 Ų9488%0.88448%0.475SS*.  trans-62.9115.4-179.700000108.7I4A2-I4 PolarHBondContact O-N 2.81Å
3Q65.7Low81Confident151 Ų15188.6 Ų88.671%0.70645%0.447SS*.  trans-66.4121.9-179.7-156.2169.96.900107.6M1 L5M1-Q3 PolarHBondContact O-N 3.3Å; M1-Q3 VanDerWaalsContact O-N 3.12Å; Q3-L5 PolarHBondContact O-N 3.11Å
4I79.9Confident82Confident84 Ų8484.7 Ų84.743%0.43143%0.426SS..  trans-58.3128.7176.7-61.9169.6000107.3A2 N333 Y337A2-I4 PolarHBondContact O-N 2.81Å; I4-N333 HydrophobicContact CG2-CB 3.63Å; I4-Y337 WeakPolarHBondContact O-CD2 3.49Å; I4-Y337 VanDerWaalsContact O-CE2 3.31Å; I4-Y337 WeakPolarHBondContact O-CE2 3.27Å
5L87.3Confident82.9Confident79 Ų7979.1 Ų79.141%0.41440%0.398SS..  trans-105.6140177.8-74.4162.9000109.7Q3 V7 N333Q3-L5 PolarHBondContact O-N 3.11Å; L5-V7 PolarHBondContact O-N 3.39Å; L5-N333 WeakPolarHBondContact O-CB 3.45Å
6P89.9Confident83.6Confident0 Ų079.4 Ų79.40%040%0.397CS..SBendtrans-80.9-1.6178.833.7-33.8000112.6I293 C294 E330 I334 Y337P6-I293 HydrophobicContact CB-CG2 4.35Å; P6-I293 HydrophobicContact CG-CG2 4.37Å; P6-C294 HydrophobicContact CG-CB 3.57Å; P6-E330 PolarHBondContact O-N 3.34Å; P6-I334 HydrophobicContact CB-CB 4.34Å; P6-I334 HydrophobicContact CB-CG1 4.2Å; P6-Y337 HydrophobicContact CB-CD1 3.73Å; P6-Y337 HydrophobicContact CB-CD2 4.42Å; P6-Y337 HydrophobicContact CB-CE1 4.34Å; P6-Y337 HydrophobicContact CB-CG 3.78Å; P6-Y337 HydrophobicContact CG-CD1 3.64Å; P6-Y337 HydrophobicContact CG-CD2 4.2Å; P6-Y337 HydrophobicContact CG-CE1 3.73Å; P6-Y337 HydrophobicContact CG-CE2 4.24Å; P6-Y337 HydrophobicContact CG-CG 3.88Å
7V93.1Very high84.2Confident17 Ų1782.8 Ų82.810%0.10342%0.417CS..EExtended strand (participates in β ladder)trans-126.7145.1-176-66.10000110.6L5 L284 V327 C328L5-V7 PolarHBondContact O-N 3.39Å; V7-L284 HydrophobicContact CG1-CD1 3.3Å; V7-V327 HydrophobicContact CB-CG1 3.95Å; V7-V327 HydrophobicContact CG1-CG1 4.14Å; V7-C328 CarbonylContact C-O 3.58Å; V7-C328 VanDerWaalsContact CA-O 3.22Å; V7-C328 WeakPolarHBondContact CA-O 3.4Å
8R93.4Very high84.6Confident103 Ų10379.7 Ų79.739%0.38940%0.402SS..EExtended strand (participates in β ladder)trans-99.3121.2167.1-171-176-61.6175.20.5108.1Q10 V327 C328 E330R8-Q10 HydrophobicContact CG-CG 4.19Å; R8-V327 WeakPolarHBondContact O-CA 3.26Å; R8-C328 PolarHBondContact N-O 3.49Å; R8-C328 PolarHBondContact O-N 2.81Å; R8-E330 IonicContact CZ-OE1 2.74Å; R8-E330 IonicContact CZ-OE2 2.76Å; R8-E330 VanDerWaalsContact CZ-OE2 3.29Å; R8-E330 IonicContact NE-OE1 3.75Å; R8-E330 IonicContact NE-OE2 2.99Å; R8-E330 PolarHBondContact NE-OE2 3.23Å; R8-E330 VanDerWaalsContact NH2-CD 3.28Å; R8-E330 IonicContact NH2-OE1 2.74Å; R8-E330 PolarHBondContact NH2-OE1 3.35Å; R8-E330 IonicContact NH2-OE2 3.63Å; R8-E330 PolarHBondContact NH2-OE2 3.15Å
9F93.8Very high85Confident95 Ų9578.3 Ų78.342%0.41741%0.41SS..EExtended strand (participates in β ladder)trans-105.7130.1175.4173.1-108.9000109I298 L325 V327F9-I298 HydrophobicContact CD2-CB 4.25Å; F9-I298 HydrophobicContact CD2-CG2 4.26Å; F9-I298 HydrophobicContact CE2-CB 3.93Å; F9-I298 HydrophobicContact CE2-CG2 4.44Å; F9-L325 HydrophobicContact CE2-CB 4.07Å; F9-L325 HydrophobicContact CE2-CD1 4.17Å; F9-L325 HydrophobicContact CE2-CD2 4.04Å; F9-L325 HydrophobicContact CE2-CG 4.31Å; F9-L325 HydrophobicContact CZ-CD1 4.2Å; F9-L325 HydrophobicContact CZ-CD2 3.71Å; F9-L325 HydrophobicContact CZ-CG 4.37Å; F9-V327 HydrophobicContact CD2-CG2 3.89Å
10Q93.7Very high85.4Confident80 Ų8074.6 Ų74.637%0.37439%0.39SS..EExtended strand (participates in β ladder)trans-135.1134.9-179.9-65.1-176.9-19.100110.5R8 L325 S326R8-Q10 HydrophobicContact CG-CG 4.19Å; Q10-L325 WeakPolarHBondContact O-CA 3.49Å; Q10-S326 PolarHBondContact N-O 2.95Å; Q10-S326 PolarHBondContact O-N 3.24Å
11E95Very high85.8Confident97 Ų9775 Ų7545%0.45339%0.392SS..EExtended strand (participates in β ladder)trans-96.7118.2164.1-179.4170.9-178.200107.4Q323 L325E11-Q323 PolarHBondContact OE1-NE2 2.9Å; E11-Q323 PolarHBondContact OE2-NE2 2.89Å; E11-L325 HydrophobicContact CB-CD2 3.92Å; E11-L325 HydrophobicContact CG-CD2 3.99Å
12H93.9Very high88.5Confident72 Ų7267 Ų6733%0.33336%0.359SS..EExtended strand (participates in β ladder)trans-77-51.3-177.5-70.7-81.8000111.2V324 S326H12-V324 HydrophobicContact CB-CB 4.34Å; H12-V324 HydrophobicContact CB-CG1 4.3Å; H12-V324 PolarHBondContact N-O 2.75Å; H12-S326 WeakPolarHBondContact NE2-CB 3.27Å; H12-S326 PolarHBondContact NE2-OG 2.86Å
13F94.2Very high91Very high24 Ų2465.7 Ų65.711%0.10535%0.348CS..EExtended strand (participates in β ladder)trans-169.2172.4176.555-90.5000110L15 L18 I38 I53 M55 P58 V324F13-L15 HydrophobicContact CE2-CD2 3.89Å; F13-L18 HydrophobicContact CD2-CD1 3.86Å; F13-L18 HydrophobicContact CE2-CD1 3.76Å; F13-I38 HydrophobicContact CZ-CD1 4.16Å; F13-I53 HydrophobicContact CE2-CG2 4.34Å; F13-I53 HydrophobicContact CZ-CG2 4.05Å; F13-M55 HydrophobicContact CE1-CE 3.65Å; F13-M55 HydrophobicContact CE1-SD 3.72Å; F13-M55 HydrophobicContact CZ-CE 4.08Å; F13-M55 HydrophobicContact CZ-SD 3.58Å; F13-M55 VanDerWaalsContact CZ-SD 3.58Å; F13-P58 HydrophobicContact CD1-CB 3.8Å; F13-P58 HydrophobicContact CD1-CG 4.09Å; F13-P58 HydrophobicContact CE1-CB 3.45Å; F13-P58 VanDerWaalsContact CE1-CB 3.45Å; F13-P58 HydrophobicContact CE1-CG 4.05Å; F13-P58 HydrophobicContact CE2-CB 4.33Å; F13-P58 HydrophobicContact CG-CB 4.39Å; F13-P58 HydrophobicContact CZ-CB 3.74Å; F13-V324 HydrophobicContact CD2-CG2 4.03Å; F13-V324 HydrophobicContact CE1-CG2 4.46Å; F13-V324 HydrophobicContact CE2-CG2 3.66Å; F13-V324 HydrophobicContact CZ-CB 4.46Å; F13-V324 HydrophobicContact CZ-CG2 3.89Å; F13-V324 PolarHBondContact O-N 2.89Å
14Q95.1Very high92.3Very high34 Ų3459.7 Ų59.716%0.15932%0.321CS..EExtended strand (participates in β ladder)trans-109.7121.7179.2174.564.6-29.700109.9Q16 N17 K321 G322 Q323Q14-Q16 HydrophobicContact CG-CB 4.16Å; Q14-Q16 PolarHBondContact O-N 3.19Å; Q14-N17 WeakPolarHBondContact O-CB 3.27Å; Q14-N17 PolarHBondContact O-N 3.38Å; Q14-K321 PolarHBondContact NE2-O 2.72Å; Q14-K321 PolarHBondContact OE1-O 3.44Å; Q14-G322 PolarHBondContact OE1-O 2.96Å; Q14-Q323 VanDerWaalsContact OE1-CA 3.25Å; Q14-Q323 VanDerWaalsContact OE1-CG 3.31Å
15L95.3Very high93.1Very high0 Ų056.1 Ų56.10%030%0.302CS..G310 helixtrans-60.1-32.3-176.5-71.7171.2000113.1F13 N17 L18 I20 I25 L30 I38 I53 V318 G322 V324F13-L15 HydrophobicContact CE2-CD2 3.89Å; L15-N17 PolarHBondContact O-N 3.31Å; L15-L18 WeakPolarHBondContact O-CB 3.4Å; L15-L18 PolarHBondContact O-N 3.19Å; L15-I20 HydrophobicContact CB-CB 4.28Å; L15-I20 HydrophobicContact CB-CG1 4.35Å; L15-I20 WeakPolarHBondContact O-CB 3.15Å; L15-I20 WeakPolarHBondContact O-CG1 3.25Å; L15-I20 PolarHBondContact O-N 2.98Å; L15-I25 HydrophobicContact CB-CD1 4.15Å; L15-L30 HydrophobicContact CD1-CD1 3.53Å; L15-I38 HydrophobicContact CD2-CD1 4.36Å; L15-I53 HydrophobicContact CD2-CD1 3.25Å; L15-V318 HydrophobicContact CD1-CG1 3.59Å; L15-G322 WeakPolarHBondContact CB-O 3.3Å; L15-G322 VanDerWaalsContact CG-O 3.24Å; L15-G322 WeakPolarHBondContact CG-O 3.49Å; L15-G322 PolarHBondContact N-O 2.94Å; L15-V324 HydrophobicContact CD2-CG2 4.38Å; L15-V324 HydrophobicContact CG-CG2 4.13Å
16Q93.4Very high93.3Very high84 Ų8453.1 Ų53.139%0.39329%0.291SS..G310 helixtrans-62.2-31177.4-59.3-174.824.100112.3Q14 L18 G19 I25 K321Q14-Q16 HydrophobicContact CG-CB 4.16Å; Q14-Q16 PolarHBondContact O-N 3.19Å; Q16-L18 PolarHBondContact O-N 3.25Å; Q16-G19 PolarHBondContact O-N 3.43Å; Q16-G19 VanDerWaalsContact O-N 3.09Å; Q16-I25 HydrophobicContact CG-CD1 4.22Å; Q16-K321 PolarHBondContact NE2-O 3.04Å
17N93.8Very high93.3Very high138 Ų13857.5 Ų57.574%0.73831%0.31SS*.G310 helixtrans-69.1-19178-63.6-2.2000112.2Q14 L15 G19Q14-N17 WeakPolarHBondContact O-CB 3.27Å; Q14-N17 PolarHBondContact O-N 3.38Å; L15-N17 PolarHBondContact O-N 3.31Å; N17-G19 VanDerWaalsContact C-N 3.29Å
18L92.5Very high93.2Very high27 Ų2760.9 Ų60.914%0.14133%0.334CS..G310 helixtrans-90.99.3175.8-57.8174.3000112.5F13 L15 Q16 I20 I53 P58 M59 R63F13-L18 HydrophobicContact CD2-CD1 3.86Å; F13-L18 HydrophobicContact CE2-CD1 3.76Å; L15-L18 WeakPolarHBondContact O-CB 3.4Å; L15-L18 PolarHBondContact O-N 3.19Å; Q16-L18 PolarHBondContact O-N 3.25Å; L18-I20 HydrophobicContact CB-CG1 4.45Å; L18-I53 HydrophobicContact CD1-CD1 3.86Å; L18-I53 HydrophobicContact CD1-CG2 4.31Å; L18-P58 WeakPolarHBondContact CD1-O 3.14Å; L18-P58 VanDerWaalsContact CD2-O 3.29Å; L18-P58 WeakPolarHBondContact CD2-O 3.26Å; L18-M59 HydrophobicContact CD2-SD 4.28Å; L18-R63 PolarHBondContact O-NH2 2.56Å; L18-R63 VanDerWaalsContact O-NH2 3.1Å
19G90.9Very high93.2Very high53 Ų5357.1 Ų57.155%0.54632%0.323SS..THydrogen-bonded Turntrans72.428.5-178.500000113.5Q16 N17 R63Q16-G19 PolarHBondContact O-N 3.43Å; Q16-G19 VanDerWaalsContact O-N 3.09Å; N17-G19 VanDerWaalsContact C-N 3.29Å; G19-R63 PolarHBondContact O-NH2 3.31Å; G19-R63 VanDerWaalsContact O-NH2 3.11Å
20I94Very high93.3Very high4 Ų452.7 Ų52.72%0.02130%0.303CS..  trans-83.5129.5171.7-57.6-58.8000109.1L15 L18 I25 I40 T51L15-I20 HydrophobicContact CB-CB 4.28Å; L15-I20 HydrophobicContact CB-CG1 4.35Å; L15-I20 WeakPolarHBondContact O-CB 3.15Å; L15-I20 WeakPolarHBondContact O-CG1 3.25Å; L15-I20 PolarHBondContact O-N 2.98Å; L18-I20 HydrophobicContact CB-CG1 4.45Å; I20-I25 HydrophobicContact CG2-CD1 4.3Å; I20-I25 HydrophobicContact CG2-CG1 3.98Å; I20-I40 HydrophobicContact CD1-CD1 4.3Å; I20-I40 HydrophobicContact CG2-CG2 4.21Å; I20-T51 HydrophobicContact CD1-CG2 3.72Å
21N92.8Very high93.5Very high82 Ų8249.9 Ų49.944%0.43929%0.292SS..  trans-70.2130179.4-176.3-25.1000109.9A23 N24 E42N21-A23 PolarHBondContact O-N 3.37Å; N21-A23 VanDerWaalsContact O-N 3.1Å; N21-A23 WeakPolarHBondContact OD1-CB 3.5Å; N21-A23 PolarHBondContact OD1-N 2.98Å; N21-N24 WeakPolarHBondContact O-CB 3.42Å; N21-N24 PolarHBondContact O-N 3.16Å; N21-E42 PolarHBondContact N-OE1 3.38Å
22P92.3Very high93.5Very high76 Ų7645.3 Ų45.349%0.49427%0.271SS..G310 helixtrans-55.9-28.3178.722.6-35.2000113.9N24 I25P22-N24 PolarHBondContact O-N 3.4Å; P22-I25 PolarHBondContact O-N 2.87Å; P22-I25 VanDerWaalsContact O-N 3.15Å
23A91.8Very high93.6Very high79 Ų7943.2 Ų43.265%0.65326%0.261SS*.G310 helixtrans-63.9-26175.300000113.2N21 I25N21-A23 PolarHBondContact O-N 3.37Å; N21-A23 VanDerWaalsContact O-N 3.1Å; N21-A23 WeakPolarHBondContact OD1-CB 3.5Å; N21-A23 PolarHBondContact OD1-N 2.98Å; A23-I25 VanDerWaalsContact C-N 3.34Å
24N93.2Very high93.7Very high25 Ų2542.4 Ų42.413%0.13426%0.258CS..G310 helixtrans-88.3-2.1179-58-27.6000112.4N21 P22 G26 T29 I40 E42N21-N24 WeakPolarHBondContact O-CB 3.42Å; N21-N24 PolarHBondContact O-N 3.16Å; P22-N24 PolarHBondContact O-N 3.4Å; N24-G26 PolarHBondContact O-N 2.7Å; N24-G26 VanDerWaalsContact O-N 3.16Å; N24-T29 WeakPolarHBondContact O-CB 3.42Å; N24-T29 PolarHBondContact O-OG1 3.46Å; N24-I40 HydrophobicContact CB-CG2 3.9Å; N24-E42 HydrophobicContact CB-CG 4.24Å; N24-E42 VanDerWaalsContact ND2-CB 3.35Å; N24-E42 WeakPolarHBondContact ND2-CB 3.47Å; N24-E42 VanDerWaalsContact ND2-CG 3.26Å; N24-E42 WeakPolarHBondContact ND2-CG 3.4Å; N24-E42 PolarHBondContact ND2-OE1 3.23Å; N24-E42 VanDerWaalsContact ND2-OE1 3.08Å
25I94.8Very high93.7Very high9 Ų941.2 Ų41.25%0.04625%0.253CS..  trans-90.576.5179.6-51.9-178.6000109L15 Q16 I20 P22 A23 L30 F304 V318 N319L15-I25 HydrophobicContact CB-CD1 4.15Å; Q16-I25 HydrophobicContact CG-CD1 4.22Å; I20-I25 HydrophobicContact CG2-CD1 4.3Å; I20-I25 HydrophobicContact CG2-CG1 3.98Å; P22-I25 PolarHBondContact O-N 2.87Å; P22-I25 VanDerWaalsContact O-N 3.15Å; A23-I25 VanDerWaalsContact C-N 3.34Å; I25-L30 HydrophobicContact CG2-CD1 4.4Å; I25-F304 HydrophobicContact CG2-CE1 3.97Å; I25-F304 HydrophobicContact CG2-CZ 4.07Å; I25-V318 HydrophobicContact CG2-CG1 4.4Å; I25-N319 WeakPolarHBondContact CG2-O 3.34Å
26G93.1Very high93.7Very high17 Ų1745.8 Ų45.818%0.17527%0.273CS..SBendtrans-155.7165.9-179.300000112.5N24 S28 T29 L30N24-G26 PolarHBondContact O-N 2.7Å; N24-G26 VanDerWaalsContact O-N 3.16Å; G26-S28 PolarHBondContact O-N 2.87Å; G26-T29 PolarHBondContact O-N 3.49Å; G26-T29 VanDerWaalsContact O-N 3.13Å; G26-T29 PolarHBondContact O-OG1 2.82Å; G26-L30 WeakPolarHBondContact O-CB 3.4Å; G26-L30 PolarHBondContact O-N 3.36Å
27F90.1Very high93.8Very high92 Ų9242.3 Ų42.340%0.40426%0.256SS..THydrogen-bonded Turntrans-59.3-30.3-175.1-176.5-98.7000113.8F110 F304F27-F110 HydrophobicContact CZ-CE2 4.35Å; F27-F304 HydrophobicContact CB-CD2 4.02Å; F27-F304 HydrophobicContact CD2-CD2 4.47Å
28S90.2Very high94Very high87 Ų8735.8 Ų35.861%0.60822%0.221SC*.THydrogen-bonded Turntrans-77.8-27.2179.249.80000113.8G26 R41G26-S28 PolarHBondContact O-N 2.87Å; S28-R41 PolarHBondContact O-NH2 3.42Å
29T93.8Very high94.2Very high24 Ų2434.5 Ų34.515%0.14722%0.215CC..THydrogen-bonded Turntrans-113.2-25-169.543.50000113N24 G26 I40 R41N24-T29 WeakPolarHBondContact O-CB 3.42Å; N24-T29 PolarHBondContact O-OG1 3.46Å; G26-T29 PolarHBondContact O-N 3.49Å; G26-T29 VanDerWaalsContact O-N 3.13Å; G26-T29 PolarHBondContact O-OG1 2.82Å; T29-I40 CarbonylContact O-C 3.48Å; T29-I40 WeakPolarHBondContact O-CA 3.29Å; T29-R41 PolarHBondContact O-N 3.38Å
30L96.6Very high94.5Very high2 Ų232 Ų321%0.0119%0.189CC..EExtended strand (participates in β ladder)trans-115.8127.4-179.7-174156000110.7L15 I25 G26 I38 C39 I40 F304 V305 V318L15-L30 HydrophobicContact CD1-CD1 3.53Å; I25-L30 HydrophobicContact CG2-CD1 4.4Å; G26-L30 WeakPolarHBondContact O-CB 3.4Å; G26-L30 PolarHBondContact O-N 3.36Å; L30-I38 HydrophobicContact CD1-CG2 3.99Å; L30-I38 HydrophobicContact CD2-CG2 3.92Å; L30-I38 HydrophobicContact CG-CG2 3.89Å; L30-C39 CarbonylContact C-O 3.53Å; L30-C39 WeakPolarHBondContact CA-O 3.23Å; L30-I40 HydrophobicContact CB-CG1 4.43Å; L30-I40 HydrophobicContact CD1-CG1 3.79Å; L30-I40 HydrophobicContact CG-CG1 3.94Å; L30-F304 HydrophobicContact CB-CE2 4.16Å; L30-F304 HydrophobicContact CB-CZ 4.2Å; L30-F304 HydrophobicContact CD1-CZ 4.37Å; L30-F304 HydrophobicContact CD2-CE2 3.93Å; L30-F304 HydrophobicContact CD2-CZ 4.03Å; L30-F304 HydrophobicContact CG-CZ 4.43Å; L30-V305 HydrophobicContact CD2-CG1 3.62Å; L30-V318 HydrophobicContact CD1-CG1 4.19Å; L30-V318 HydrophobicContact CD2-CB 4.35Å; L30-V318 HydrophobicContact CD2-CG1 4.49Å; L30-V318 HydrophobicContact CD2-CG2 4.33Å
31T96.5Very high94.5Very high21 Ų2134.5 Ų34.513%0.12920%0.198CC..EExtended strand (participates in β ladder)trans-122.9146.9177.466.10000110.8C39 A71 I72T31-C39 PolarHBondContact N-O 2.83Å; T31-C39 PolarHBondContact O-N 3.48Å; T31-C39 WeakPolarHBondContact OG1-CB 3.35Å; T31-A71 WeakPolarHBondContact CG2-O 3.31Å; T31-A71 PolarHBondContact OG1-O 3.48Å; T31-I72 HydrophobicContact CG2-CG2 3.86Å
32M96.3Very high94.5Very high2 Ų231.2 Ų31.21%0.0118%0.18CC..  trans-146.495.3178.2-172179.271.900108.2S34 I38 V305 A307 I316 V318M32-S34 VanDerWaalsContact CG-O 3.26Å; M32-S34 WeakPolarHBondContact CG-O 3.39Å; M32-I38 HydrophobicContact CG-CG1 4.21Å; M32-I38 HydrophobicContact SD-CD1 4.44Å; M32-I38 HydrophobicContact SD-CG1 4.09Å; M32-V305 HydrophobicContact CB-CG1 4.08Å; M32-V305 HydrophobicContact CB-CG2 3.76Å; M32-V305 HydrophobicContact CE-CG1 4.47Å; M32-A307 HydrophobicContact CE-CB 3.91Å; M32-A307 HydrophobicContact CG-CB 4.42Å; M32-I316 HydrophobicContact CE-CG2 4.2Å; M32-I316 WeakPolarHBondContact CE-O 3.34Å; M32-V318 HydrophobicContact SD-CG2 4.01Å
33E95.3Very high94.3Very high28 Ų2833.3 Ų33.313%0.13118%0.182CC..SBendtrans-84.2-27.2-174.6-67.2-62122.200112.5I72 M73 K112 W113E33-I72 HydrophobicContact CG-CB 4.02Å; E33-I72 HydrophobicContact CG-CG2 4.37Å; E33-M73 WeakPolarHBondContact CB-O 3.22Å; E33-M73 WeakPolarHBondContact CG-O 3.38Å; E33-K112 VanDerWaalsContact CD-NZ 3.28Å; E33-K112 IonicContact OE1-NZ 2.68Å; E33-K112 PolarHBondContact OE1-NZ 2.93Å; E33-K112 WeakPolarHBondContact OE2-CG 3.49Å; E33-K112 IonicContact OE2-NZ 2.76Å; E33-K112 PolarHBondContact OE2-NZ 3.31Å; E33-W113 PolarHBondContact OE2-N 3.45Å; E33-W113 VanDerWaalsContact OE2-N 3.13Å
34S95.7Very high94Very high6 Ų633.6 Ų33.64%0.04218%0.175CC..SBendtrans-145.7179.2175.368.90000110.6M32 K36 P75M32-S34 VanDerWaalsContact CG-O 3.26Å; M32-S34 WeakPolarHBondContact CG-O 3.39Å; S34-K36 PolarHBondContact O-N 2.82Å; S34-K36 WeakPolarHBondContact OG-CB 3.21Å; S34-K36 PolarHBondContact OG-N 2.88Å; S34-P75 WeakPolarHBondContact CB-O 3.18Å; S34-P75 PolarHBondContact OG-O 2.87Å
35D94.8Very high93.6Very high10 Ų1035.5 Ų35.55%0.05320%0.2CC..SBendtrans-77.510.9170.965.4-8.8000113.8M55 H309 K310 P311 I316D35-M55 VanDerWaalsContact O-CB 3.26Å; D35-M55 WeakPolarHBondContact O-CB 3.24Å; D35-M55 VanDerWaalsContact O-CG 3.3Å; D35-M55 WeakPolarHBondContact O-CG 3.46Å; D35-H309 WeakPolarHBondContact OD2-CA 3.33Å; D35-H309 IonicContact OD2-CE1 2.74Å; D35-H309 IonicContact OD2-CG 2.75Å; D35-H309 IonicContact OD2-ND1 2.85Å; D35-H309 PolarHBondContact OD2-ND1 2.99Å; D35-K310 PolarHBondContact OD2-N 3.5Å; D35-P311 WeakPolarHBondContact OD2-CD 3.5Å; D35-I316 HydrophobicContact CB-CG2 3.84Å
36K95.9Very high93.2Very high96 Ų9642.9 Ų42.942%0.41724%0.235SC..SBendtrans-98.8-37.8-178.5-59.4-59.8-176.5179.10113.8S34 M55S34-K36 PolarHBondContact O-N 2.82Å; S34-K36 WeakPolarHBondContact OG-CB 3.21Å; S34-K36 PolarHBondContact OG-N 2.88Å; K36-M55 WeakPolarHBondContact O-CB 3.2Å; K36-M55 WeakPolarHBondContact O-CG 3.39Å; K36-M55 PolarHBondContact O-N 3.27Å
37F96.3Very high93Very high11 Ų1148 Ų485%0.04825%0.254CS..EExtended strand (participates in β ladder)trans-136.8138.8-174.6-55.1-71.7000111.8I52 I53 D54 M73 N74 S77 K78F37-I52 HydrophobicContact CD1-CG2 4.27Å; F37-I53 WeakPolarHBondContact CA-O 3.28Å; F37-D54 HydrophobicContact CD1-CB 4.29Å; F37-D54 HydrophobicContact CE1-CB 4.18Å; F37-M73 HydrophobicContact CB-CB 3.79Å; F37-M73 HydrophobicContact CB-CE 4.39Å; F37-M73 HydrophobicContact CB-CG 3.96Å; F37-M73 HydrophobicContact CD1-CE 3.98Å; F37-M73 HydrophobicContact CD2-CB 4.18Å; F37-M73 HydrophobicContact CD2-CE 3.86Å; F37-M73 HydrophobicContact CE1-CE 4.22Å; F37-M73 HydrophobicContact CE2-CE 4.09Å; F37-M73 HydrophobicContact CG-CB 4.22Å; F37-M73 HydrophobicContact CG-CE 3.8Å; F37-M73 HydrophobicContact CG-CG 4.38Å; F37-M73 HydrophobicContact CZ-CE 4.28Å; F37-N74 WeakPolarHBondContact CD2-O 3.26Å; F37-S77 WeakPolarHBondContact CE2-O 3.23Å; F37-K78 HydrophobicContact CE1-CG 4.45Å; F37-K78 HydrophobicContact CZ-CG 4.1Å
38I97.2Very high93.1Very high0 Ų045.4 Ų45.40%025%0.25CC..EExtended strand (participates in β ladder)trans-109.6125.7162.3-56.1174.7000107.1F13 L15 L30 M32 I40 I53 M55 V318 V324F13-I38 HydrophobicContact CZ-CD1 4.16Å; L15-I38 HydrophobicContact CD2-CD1 4.36Å; L30-I38 HydrophobicContact CD1-CG2 3.99Å; L30-I38 HydrophobicContact CD2-CG2 3.92Å; L30-I38 HydrophobicContact CG-CG2 3.89Å; M32-I38 HydrophobicContact CG-CG1 4.21Å; M32-I38 HydrophobicContact SD-CD1 4.44Å; M32-I38 HydrophobicContact SD-CG1 4.09Å; I38-I40 HydrophobicContact CB-CD1 4.46Å; I38-I40 HydrophobicContact CG2-CD1 3.73Å; I38-I40 HydrophobicContact CG2-CG1 4.18Å; I38-I53 HydrophobicContact CB-CB 4.23Å; I38-I53 PolarHBondContact N-O 3.38Å; I38-I53 PolarHBondContact O-N 3.49Å; I38-M55 HydrophobicContact CD1-SD 3.73Å; I38-M55 HydrophobicContact CG1-SD 3.96Å; I38-V318 HydrophobicContact CD1-CG2 4.1Å; I38-V324 HydrophobicContact CD1-CG1 4.24Å; I38-V324 HydrophobicContact CD1-CG2 3.75Å
39C96.8Very high93.2Very high1 Ų142.7 Ų42.71%0.00723%0.227CC..EExtended strand (participates in β ladder)trans-114124.8-179.9-178.20000109.1L30 T31 V50 M73L30-C39 CarbonylContact C-O 3.53Å; L30-C39 WeakPolarHBondContact CA-O 3.23Å; T31-C39 PolarHBondContact N-O 2.83Å; T31-C39 PolarHBondContact O-N 3.48Å; T31-C39 WeakPolarHBondContact OG1-CB 3.35Å; C39-V50 WeakPolarHBondContact SG-CG1 3.27Å; C39-M73 HydrophobicContact CB-CG 3.88Å
40I96.5Very high93.3Very high0 Ų041.6 Ų41.60%022%0.221CC..EExtended strand (participates in β ladder)trans-123.4129.9-178-49.891.3000108.9I20 N24 T29 L30 I38 E42 V50 T51 I53I20-I40 HydrophobicContact CD1-CD1 4.3Å; I20-I40 HydrophobicContact CG2-CG2 4.21Å; N24-I40 HydrophobicContact CB-CG2 3.9Å; T29-I40 CarbonylContact O-C 3.48Å; T29-I40 WeakPolarHBondContact O-CA 3.29Å; L30-I40 HydrophobicContact CB-CG1 4.43Å; L30-I40 HydrophobicContact CD1-CG1 3.79Å; L30-I40 HydrophobicContact CG-CG1 3.94Å; I38-I40 HydrophobicContact CB-CD1 4.46Å; I38-I40 HydrophobicContact CG2-CD1 3.73Å; I38-I40 HydrophobicContact CG2-CG1 4.18Å; I40-E42 HydrophobicContact CB-CG 4.37Å; I40-E42 HydrophobicContact CG2-CG 3.73Å; I40-V50 CarbonylContact O-C 3.59Å; I40-V50 WeakPolarHBondContact O-CA 3.31Å; I40-T51 PolarHBondContact N-O 3.38Å; I40-T51 PolarHBondContact O-N 3.13Å; I40-I53 HydrophobicContact CD1-CD1 3.59Å; I40-I53 HydrophobicContact CD1-CG1 3.92Å
41R95.1Very high93.2Very high57 Ų5741.5 Ų41.522%0.21522%0.22CC..EExtended strand (participates in β ladder)trans-91.6126.1168.6-57.5-172-58.4110.85109S28 T29 V50 A68 E69 A71S28-R41 PolarHBondContact O-NH2 3.42Å; T29-R41 PolarHBondContact O-N 3.38Å; R41-V50 HydrophobicContact CG-CG2 4.34Å; R41-A68 PolarHBondContact NH1-O 3.5Å; R41-E69 PolarHBondContact NE-O 3.47Å; R41-E69 PolarHBondContact NH1-O 2.82Å; R41-E69 PolarHBondContact NH2-O 3.01Å; R41-A71 HydrophobicContact CG-CB 4.15Å
42E91.7Very high93.2Very high12 Ų1240.7 Ų40.76%0.05622%0.215CC..EExtended strand (participates in β ladder)trans-131.4151-177.2-52.6-160.9107.200110.3N21 N24 I40 Q49 T51 R63N21-E42 PolarHBondContact N-OE1 3.38Å; N24-E42 HydrophobicContact CB-CG 4.24Å; N24-E42 VanDerWaalsContact ND2-CB 3.35Å; N24-E42 WeakPolarHBondContact ND2-CB 3.47Å; N24-E42 VanDerWaalsContact ND2-CG 3.26Å; N24-E42 WeakPolarHBondContact ND2-CG 3.4Å; N24-E42 PolarHBondContact ND2-OE1 3.23Å; N24-E42 VanDerWaalsContact ND2-OE1 3.08Å; I40-E42 HydrophobicContact CB-CG 4.37Å; I40-E42 HydrophobicContact CG2-CG 3.73Å; E42-Q49 HydrophobicContact CB-CG 4.14Å; E42-Q49 PolarHBondContact N-O 3.44Å; E42-Q49 PolarHBondContact O-N 3.44Å; E42-T51 PolarHBondContact OE2-OG1 2.87Å; E42-R63 IonicContact OE2-CZ 2.78Å; E42-R63 IonicContact OE2-NH1 3.97Å; E42-R63 PolarHBondContact OE2-NH1 3.39Å
43K88.9Confident93.2Very high121 Ų12140.6 Ų40.653%0.52622%0.215SC..EExtended strand (participates in β ladder)trans-113.1113.8167.1-163.9-178.7174.6-173.30107.7G45 E46K43-G45 WeakPolarHBondContact CE-O 3.41Å; K43-E46 WeakPolarHBondContact CE-O 3.47Å; K43-E46 WeakPolarHBondContact CE-OE2 3.19Å; K43-E46 IonicContact NZ-OE1 3.2Å; K43-E46 IonicContact NZ-OE2 3.3Å; K43-E46 PolarHBondContact NZ-OE2 2.82Å
44V86.1Confident93.2Very high84 Ų8440.7 Ų40.751%0.50922%0.216SC..EExtended strand (participates in β ladder)trans-107108.2177.3176.20000107.7E46 Q47 Q49V44-E46 PolarHBondContact O-N 2.83Å; V44-Q47 PolarHBondContact N-O 3.47Å; V44-Q47 PolarHBondContact O-N 3.27Å; V44-Q49 HydrophobicContact CG2-CG 4.4Å
45G84.9Confident93.1Very high65 Ų6542.2 Ų42.267%0.6722%0.223SC*.THydrogen-bonded Turntrans63.6-125.9-166.500000110.8K43K43-G45 WeakPolarHBondContact CE-O 3.41Å
46E84.9Confident92.9Very high165 Ų16546.6 Ų46.677%0.77125%0.254SS*.THydrogen-bonded Turntrans-90.3-10.7174.6-73.6-57146.100114K43 V44K43-E46 WeakPolarHBondContact CE-O 3.47Å; K43-E46 WeakPolarHBondContact CE-OE2 3.19Å; K43-E46 IonicContact NZ-OE1 3.2Å; K43-E46 IonicContact NZ-OE2 3.3Å; K43-E46 PolarHBondContact NZ-OE2 2.82Å; V44-E46 PolarHBondContact O-N 2.83Å
47Q88.4Confident92.7Very high124 Ų12446.1 Ų46.158%0.57926%0.256SS*.EExtended strand (participates in β ladder)trans-90.8124.2-173.8-164.6169.612.500111.8V44 P65V44-Q47 PolarHBondContact N-O 3.47Å; V44-Q47 PolarHBondContact O-N 3.27Å; Q47-P65 VanDerWaalsContact NE2-CB 3.31Å
48A92.3Very high92.5Very high38 Ų3846.9 Ų46.931%0.31426%0.263SS..EExtended strand (participates in β ladder)trans-76133.6169.600000110.3
49Q93.4Very high92.2Very high30 Ų3053.7 Ų53.714%0.1430%0.296CS..EExtended strand (participates in β ladder)trans-141.2159177.967.7175.211.500112E42 V44 R64E42-Q49 HydrophobicContact CB-CG 4.14Å; E42-Q49 PolarHBondContact N-O 3.44Å; E42-Q49 PolarHBondContact O-N 3.44Å; V44-Q49 HydrophobicContact CG2-CG 4.4Å; Q49-R64 CarbonylContact C-O 3.54Å; Q49-R64 VanDerWaalsContact CA-O 3.26Å; Q49-R64 WeakPolarHBondContact CA-O 3.12Å; Q49-R64 VanDerWaalsContact CB-O 3.3Å; Q49-R64 WeakPolarHBondContact CB-O 3.38Å
50V95.3Very high91.9Very high1 Ų156.3 Ų56.31%0.00632%0.318CS..EExtended strand (participates in β ladder)trans-114.5122.4172.8178.70000108C39 I40 R41 I52 R64 I66 A71 I80C39-V50 WeakPolarHBondContact SG-CG1 3.27Å; I40-V50 CarbonylContact O-C 3.59Å; I40-V50 WeakPolarHBondContact O-CA 3.31Å; R41-V50 HydrophobicContact CG-CG2 4.34Å; V50-I52 HydrophobicContact CG1-CD1 4.43Å; V50-I52 HydrophobicContact CG1-CG1 4.01Å; V50-R64 PolarHBondContact N-O 2.81Å; V50-R64 PolarHBondContact O-N 3.18Å; V50-I66 HydrophobicContact CB-CB 4.27Å; V50-I66 HydrophobicContact CB-CD1 4.44Å; V50-I66 HydrophobicContact CG2-CB 3.79Å; V50-I66 HydrophobicContact CG2-CG2 4.02Å; V50-A71 HydrophobicContact CG1-CB 4.27Å; V50-A71 HydrophobicContact CG2-CB 4.22Å; V50-I80 HydrophobicContact CG1-CD1 4.08Å
51T95.3Very high91.7Very high0 Ų058 Ų580%033%0.328CS..EExtended strand (participates in β ladder)trans-101.3123.7175.6-56.10000108.8I20 I40 E42 P61 I62 R63I20-T51 HydrophobicContact CD1-CG2 3.72Å; I40-T51 PolarHBondContact N-O 3.38Å; I40-T51 PolarHBondContact O-N 3.13Å; E42-T51 PolarHBondContact OE2-OG1 2.87Å; T51-P61 HydrophobicContact CG2-CB 3.94Å; T51-I62 CarbonylContact C-O 3.54Å; T51-I62 WeakPolarHBondContact CA-O 3.42Å; T51-R63 HydrophobicContact CG2-CG 3.9Å; T51-R63 PolarHBondContact OG1-NH1 3.17Å
52I96.4Very high91.6Very high4 Ų458.2 Ų58.22%0.02133%0.334CS..EExtended strand (participates in β ladder)trans-117.1123.1-177.7-57.3167.6000108.1F37 V50 I62 M73 I80 I93F37-I52 HydrophobicContact CD1-CG2 4.27Å; V50-I52 HydrophobicContact CG1-CD1 4.43Å; V50-I52 HydrophobicContact CG1-CG1 4.01Å; I52-I62 PolarHBondContact N-O 2.88Å; I52-I62 PolarHBondContact O-N 3.34Å; I52-M73 HydrophobicContact CD1-SD 3.86Å; I52-M73 HydrophobicContact CG1-SD 4.37Å; I52-M73 HydrophobicContact CG2-CE 4.1Å; I52-M73 HydrophobicContact CG2-CG 4.21Å; I52-M73 HydrophobicContact CG2-SD 4.14Å; I52-I80 HydrophobicContact CD1-CD1 4.02Å; I52-I93 HydrophobicContact CD1-CD1 3.08Å
53I96.3Very high91.7Very high0 Ų062 Ų620%035%0.347CS..EExtended strand (participates in β ladder)trans-106.3114.9178.2-53175.3000107F13 L15 L18 F37 I38 I40 P58 P61F13-I53 HydrophobicContact CE2-CG2 4.34Å; F13-I53 HydrophobicContact CZ-CG2 4.05Å; L15-I53 HydrophobicContact CD2-CD1 3.25Å; L18-I53 HydrophobicContact CD1-CD1 3.86Å; L18-I53 HydrophobicContact CD1-CG2 4.31Å; F37-I53 WeakPolarHBondContact CA-O 3.28Å; I38-I53 HydrophobicContact CB-CB 4.23Å; I38-I53 PolarHBondContact N-O 3.38Å; I38-I53 PolarHBondContact O-N 3.49Å; I40-I53 HydrophobicContact CD1-CD1 3.59Å; I40-I53 HydrophobicContact CD1-CG1 3.92Å; I53-P58 HydrophobicContact CG2-CB 4.14Å; I53-P61 HydrophobicContact CG1-CB 4.16Å
54D95Very high91.8Very high30 Ų3060.6 Ų60.616%0.1634%0.339CS..EExtended strand (participates in β ladder)trans-80.4122.7170.4-167.4-35.5000108.5F37 S56 D57 P58F37-D54 HydrophobicContact CD1-CB 4.29Å; F37-D54 HydrophobicContact CE1-CB 4.18Å; D54-S56 PolarHBondContact O-N 3.3Å; D54-S56 WeakPolarHBondContact OD1-CB 3.47Å; D54-S56 PolarHBondContact OD1-N 2.93Å; D54-S56 PolarHBondContact OD1-OG 3.32Å; D54-D57 CarbonylContact O-C 3.54Å; D54-D57 PolarHBondContact O-N 3.36Å; D54-D57 VanDerWaalsContact O-N 3.11Å; D54-P58 WeakPolarHBondContact O-CA 3.24Å; D54-P58 VanDerWaalsContact O-N 3.11Å
55M92.8Very high92Very high37 Ų3760.8 Ų60.818%0.18234%0.342CS..THydrogen-bonded Turntrans-70-14.1-177.9-66.1-65-63.300112.7F13 D35 K36 I38 I316 V324F13-M55 HydrophobicContact CE1-CE 3.65Å; F13-M55 HydrophobicContact CE1-SD 3.72Å; F13-M55 HydrophobicContact CZ-CE 4.08Å; F13-M55 HydrophobicContact CZ-SD 3.58Å; F13-M55 VanDerWaalsContact CZ-SD 3.58Å; D35-M55 VanDerWaalsContact O-CB 3.26Å; D35-M55 WeakPolarHBondContact O-CB 3.24Å; D35-M55 VanDerWaalsContact O-CG 3.3Å; D35-M55 WeakPolarHBondContact O-CG 3.46Å; K36-M55 WeakPolarHBondContact O-CB 3.2Å; K36-M55 WeakPolarHBondContact O-CG 3.39Å; K36-M55 PolarHBondContact O-N 3.27Å; I38-M55 HydrophobicContact CD1-SD 3.73Å; I38-M55 HydrophobicContact CG1-SD 3.96Å; M55-I316 HydrophobicContact CE-CD1 3.88Å; M55-V324 HydrophobicContact CE-CG1 4Å
56S90.8Very high92.3Very high103 Ų10359.4 Ų59.472%0.7232%0.318SS*.THydrogen-bonded Turntrans-76.7-30.3170.765.90000112.9D54D54-S56 PolarHBondContact O-N 3.3Å; D54-S56 WeakPolarHBondContact OD1-CB 3.47Å; D54-S56 PolarHBondContact OD1-N 2.93Å; D54-S56 PolarHBondContact OD1-OG 3.32Å
57D92.6Very high92.6Very high86 Ų8656.5 Ų56.546%0.4632%0.316SS..EExtended strand (participates in β ladder)trans-138.476.6174.1-175.112.7000110.9D54 M59 A60D54-D57 CarbonylContact O-C 3.54Å; D54-D57 PolarHBondContact O-N 3.36Å; D54-D57 VanDerWaalsContact O-N 3.11Å; D57-M59 PolarHBondContact O-N 3.19Å; D57-A60 PolarHBondContact O-N 3.4Å
58P90.9Very high92.7Very high27 Ų2751.4 Ų51.418%0.17530%0.295CS..EExtended strand (participates in β ladder)trans-71.2-14.3-172.928.1-35.1000113.3F13 L18 I53 D54 A60F13-P58 HydrophobicContact CD1-CB 3.8Å; F13-P58 HydrophobicContact CD1-CG 4.09Å; F13-P58 HydrophobicContact CE1-CB 3.45Å; F13-P58 VanDerWaalsContact CE1-CB 3.45Å; F13-P58 HydrophobicContact CE1-CG 4.05Å; F13-P58 HydrophobicContact CE2-CB 4.33Å; F13-P58 HydrophobicContact CG-CB 4.39Å; F13-P58 HydrophobicContact CZ-CB 3.74Å; L18-P58 WeakPolarHBondContact CD1-O 3.14Å; L18-P58 VanDerWaalsContact CD2-O 3.29Å; L18-P58 WeakPolarHBondContact CD2-O 3.26Å; I53-P58 HydrophobicContact CG2-CB 4.14Å; D54-P58 WeakPolarHBondContact O-CA 3.24Å; D54-P58 VanDerWaalsContact O-N 3.11Å; P58-A60 VanDerWaalsContact C-N 3.34Å
59M91.3Very high92.6Very high142 Ų14254.2 Ų54.270%0.730%0.302SS*.EExtended strand (participates in β ladder)trans-79.9-16.9-176-65.5-62.9160.700113L18 D57 P61L18-M59 HydrophobicContact CD2-SD 4.28Å; D57-M59 PolarHBondContact O-N 3.19Å; M59-P61 VanDerWaalsContact C-CD 3.44Å; M59-P61 WeakPolarHBondContact O-CD 3.48Å
60A91.3Very high92.7Very high57 Ų5753.9 Ų53.947%0.47130%0.303SS..EExtended strand (participates in β ladder)trans-116.272-179.200000112.2D57 P58 I62D57-A60 PolarHBondContact O-N 3.4Å; P58-A60 VanDerWaalsContact C-N 3.34Å; A60-I62 PolarHBondContact O-N 2.5Å
61P92.6Very high92.7Very high34 Ų3453.9 Ų53.922%0.22130%0.303CS..EExtended strand (participates in β ladder)trans-65.9133.4179.928.2-35.3000111.9T51 I53 M59T51-P61 HydrophobicContact CG2-CB 3.94Å; I53-P61 HydrophobicContact CG1-CB 4.16Å; M59-P61 VanDerWaalsContact C-CD 3.44Å; M59-P61 WeakPolarHBondContact O-CD 3.48Å
62I92.4Very high92.8Very high63 Ų6354 Ų5432%0.32330%0.304SS..EExtended strand (participates in β ladder)trans-88113.4179.4-55.2171.6000108.7T51 I52 A60 R64T51-I62 CarbonylContact C-O 3.54Å; T51-I62 WeakPolarHBondContact CA-O 3.42Å; I52-I62 PolarHBondContact N-O 2.88Å; I52-I62 PolarHBondContact O-N 3.34Å; A60-I62 PolarHBondContact O-N 2.5Å; I62-R64 HydrophobicContact CG2-CG 4.16Å
63R93.1Very high92.8Very high91 Ų9154 Ų5434%0.34330%0.304SS..EExtended strand (participates in β ladder)trans-101.5124.1177.8-62.1176.9179.8-94.16110.1L18 G19 E42 T51L18-R63 PolarHBondContact O-NH2 2.56Å; L18-R63 VanDerWaalsContact O-NH2 3.1Å; G19-R63 PolarHBondContact O-NH2 3.31Å; G19-R63 VanDerWaalsContact O-NH2 3.11Å; E42-R63 IonicContact OE2-CZ 2.78Å; E42-R63 IonicContact OE2-NH1 3.97Å; E42-R63 PolarHBondContact OE2-NH1 3.39Å; T51-R63 HydrophobicContact CG2-CG 3.9Å; T51-R63 PolarHBondContact OG1-NH1 3.17Å
64R90.9Very high92.8Very high91 Ų9154 Ų5434%0.34330%0.304SS..EExtended strand (participates in β ladder)trans-125.6132.6-179.5-65.5-65.8-170.1175.2-1.6110.8Q49 V50 I62 I66Q49-R64 CarbonylContact C-O 3.54Å; Q49-R64 VanDerWaalsContact CA-O 3.26Å; Q49-R64 WeakPolarHBondContact CA-O 3.12Å; Q49-R64 VanDerWaalsContact CB-O 3.3Å; Q49-R64 WeakPolarHBondContact CB-O 3.38Å; V50-R64 PolarHBondContact N-O 2.81Å; V50-R64 PolarHBondContact O-N 3.18Å; I62-R64 HydrophobicContact CG2-CG 4.16Å; R64-I66 VanDerWaalsContact C-N 3.27Å; R64-I66 HydrophobicContact CB-CD1 3.71Å; R64-I66 HydrophobicContact CB-CG1 3.91Å; R64-I66 PolarHBondContact O-N 3.38Å
65P91.5Very high92.8Very high89 Ų8953.3 Ų53.358%0.57830%0.301SS*.  trans-75.179.4178.232-35000110.5Q47Q47-P65 VanDerWaalsContact NE2-CB 3.31Å
66I90.8Very high92.8Very high35 Ų3554.1 Ų54.118%0.17931%0.313CS..  trans-115.8121.5-178.6-62.8171.3000108.1V50 R64 A68 L82V50-I66 HydrophobicContact CB-CB 4.27Å; V50-I66 HydrophobicContact CB-CD1 4.44Å; V50-I66 HydrophobicContact CG2-CB 3.79Å; V50-I66 HydrophobicContact CG2-CG2 4.02Å; R64-I66 VanDerWaalsContact C-N 3.27Å; R64-I66 HydrophobicContact CB-CD1 3.71Å; R64-I66 HydrophobicContact CB-CG1 3.91Å; R64-I66 PolarHBondContact O-N 3.38Å; I66-A68 HydrophobicContact CG2-CB 4.24Å; I66-L82 HydrophobicContact CD1-CD1 4.47Å; I66-L82 HydrophobicContact CG2-CD1 3.67Å; I66-L82 HydrophobicContact CG2-CD2 3.84Å; I66-L82 HydrophobicContact CG2-CG 4.37Å
67S90.6Very high92.9Very high104 Ų10451 Ų5173%0.72729%0.292SS*.  trans-90.6107.6172.1-168.10000109.5
68A90.9Very high93Very high17 Ų1750.9 Ų50.914%0.1429%0.287CS..  trans-148.6144.6177.900000111.4R41 I66 S70 L82R41-A68 PolarHBondContact NH1-O 3.5Å; I66-A68 HydrophobicContact CG2-CB 4.24Å; A68-S70 VanDerWaalsContact C-N 3.35Å; A68-L82 HydrophobicContact CB-CB 4.31Å; A68-L82 HydrophobicContact CB-CD2 4.11Å
69E91.4Very high93.2Very high98 Ų9850 Ų5046%0.45828%0.281SS..SBendtrans-73-29.7174.2-71.5172.8-166.800112.1R41 K83 G85R41-E69 PolarHBondContact NE-O 3.47Å; R41-E69 PolarHBondContact NH1-O 2.82Å; R41-E69 PolarHBondContact NH2-O 3.01Å; E69-K83 PolarHBondContact N-O 3.2Å; E69-K83 WeakPolarHBondContact OE2-CE 3.32Å; E69-K83 IonicContact OE2-NZ 2.98Å; E69-G85 VanDerWaalsContact CD-N 3.33Å; E69-G85 WeakPolarHBondContact OE1-CA 3.41Å; E69-G85 PolarHBondContact OE1-N 3.13Å; E69-G85 VanDerWaalsContact OE1-N 3.15Å; E69-G85 PolarHBondContact OE2-N 3.12Å
70S94.6Very high93.4Very high23 Ų2343.2 Ų43.216%0.16125%0.248CC..EExtended strand (participates in β ladder)trans-148.3147.7173.3-174.40000110.5A68 K83 W111A68-S70 VanDerWaalsContact C-N 3.35Å; S70-K83 PolarHBondContact N-O 3.35Å; S70-K83 PolarHBondContact O-N 2.96Å; S70-W111 PolarHBondContact OG-NE1 3.27Å
71A95.8Very high93.7Very high1 Ų140.5 Ų40.51%0.00823%0.225CC..EExtended strand (participates in β ladder)trans-141.4126178.100000109.5T31 R41 V50 I80 A81 L82T31-A71 WeakPolarHBondContact CG2-O 3.31Å; T31-A71 PolarHBondContact OG1-O 3.48Å; R41-A71 HydrophobicContact CG-CB 4.15Å; V50-A71 HydrophobicContact CG1-CB 4.27Å; V50-A71 HydrophobicContact CG2-CB 4.22Å; A71-I80 HydrophobicContact CB-CD1 4.15Å; A71-A81 WeakPolarHBondContact CA-O 3.09Å; A71-L82 HydrophobicContact CB-CD2 3.72Å
72I96.8Very high93.8Very high3 Ų339.6 Ų39.62%0.01522%0.219CC..EExtended strand (participates in β ladder)trans-130.4125.4177.855.3175.8000110.2T31 E33 A81 W111 W113 V119T31-I72 HydrophobicContact CG2-CG2 3.86Å; E33-I72 HydrophobicContact CG-CB 4.02Å; E33-I72 HydrophobicContact CG-CG2 4.37Å; I72-A81 HydrophobicContact CD1-CB 4.47Å; I72-A81 HydrophobicContact CG1-CB 3.88Å; I72-A81 PolarHBondContact N-O 3.45Å; I72-A81 PolarHBondContact O-N 2.88Å; I72-W111 HydrophobicContact CD1-CD2 3.64Å; I72-W111 HydrophobicContact CD1-CE3 3.96Å; I72-W111 HydrophobicContact CD1-CG 3.91Å; I72-W111 HydrophobicContact CD1-CZ2 4.33Å; I72-W111 HydrophobicContact CD1-CZ3 4.43Å; I72-W111 HydrophobicContact CG1-CD2 4.23Å; I72-W111 HydrophobicContact CG1-CE3 4.49Å; I72-W111 HydrophobicContact CG1-CH2 4.26Å; I72-W111 HydrophobicContact CG1-CZ2 3.98Å; I72-W113 PolarHBondContact O-NE1 2.72Å; I72-V119 HydrophobicContact CD1-CG1 4.21Å
73M96.8Very high94Very high4 Ų437.4 Ų37.42%0.0221%0.207CC..EExtended strand (participates in β ladder)trans-77.8147.7177.4-77.1-66.3-6600111E33 F37 C39 I52 I80 I93 W113E33-M73 WeakPolarHBondContact CB-O 3.22Å; E33-M73 WeakPolarHBondContact CG-O 3.38Å; F37-M73 HydrophobicContact CB-CB 3.79Å; F37-M73 HydrophobicContact CB-CE 4.39Å; F37-M73 HydrophobicContact CB-CG 3.96Å; F37-M73 HydrophobicContact CD1-CE 3.98Å; F37-M73 HydrophobicContact CD2-CB 4.18Å; F37-M73 HydrophobicContact CD2-CE 3.86Å; F37-M73 HydrophobicContact CE1-CE 4.22Å; F37-M73 HydrophobicContact CE2-CE 4.09Å; F37-M73 HydrophobicContact CG-CB 4.22Å; F37-M73 HydrophobicContact CG-CE 3.8Å; F37-M73 HydrophobicContact CG-CG 4.38Å; F37-M73 HydrophobicContact CZ-CE 4.28Å; C39-M73 HydrophobicContact CB-CG 3.88Å; I52-M73 HydrophobicContact CD1-SD 3.86Å; I52-M73 HydrophobicContact CG1-SD 4.37Å; I52-M73 HydrophobicContact CG2-CE 4.1Å; I52-M73 HydrophobicContact CG2-CG 4.21Å; I52-M73 HydrophobicContact CG2-SD 4.14Å; M73-I80 HydrophobicContact SD-CB 3.72Å; M73-I80 HydrophobicContact SD-CD1 3.89Å; M73-I80 HydrophobicContact SD-CG1 3.88Å; M73-I93 HydrophobicContact CE-CD1 4.31Å; M73-I93 HydrophobicContact SD-CD1 3.81Å; M73-W113 PolarHBondContact O-NE1 3.3Å
74N96.9Very high93.9Very high0 Ų035.5 Ų35.50%021%0.21CC..  trans-61.4146.4172.5-175.4-84000110.9F37 A76 S77 V79 W113 V116F37-N74 WeakPolarHBondContact CD2-O 3.26Å; N74-A76 PolarHBondContact O-N 3.47Å; N74-A76 VanDerWaalsContact O-N 3.1Å; N74-A76 PolarHBondContact OD1-N 3.09Å; N74-S77 WeakPolarHBondContact CB-O 3.28Å; N74-S77 PolarHBondContact OD1-N 3.39Å; N74-S77 PolarHBondContact OD1-OG 3.2Å; N74-S77 VanDerWaalsContact OD1-OG 3.06Å; N74-V79 HydrophobicContact CB-CB 4Å; N74-V79 VanDerWaalsContact CB-O 3.24Å; N74-V79 WeakPolarHBondContact CB-O 3.2Å; N74-V79 PolarHBondContact N-O 3.39Å; N74-W113 HydrophobicContact CB-CH2 4.46Å; N74-W113 HydrophobicContact CB-CZ2 4.16Å; N74-W113 WeakPolarHBondContact ND2-CH2 3.39Å; N74-W113 WeakPolarHBondContact ND2-CZ3 3.41Å; N74-V116 PolarHBondContact ND2-O 3.01Å
75P94.3Very high93.8Very high14 Ų1432.3 Ų32.39%0.09121%0.206CC..SBendtrans-62-19.6-178-26.836.5000115.3S34 W113S34-P75 WeakPolarHBondContact CB-O 3.18Å; S34-P75 PolarHBondContact OG-O 2.87Å; P75-W113 HydrophobicContact CG-CB 3.58Å; P75-W113 HydrophobicContact CG-CG 4.21Å
76A92.9Very high93.9Very high54 Ų5433.2 Ų33.245%0.44620%0.2SC..SBendtrans-135.8-44.8-176.900000114.1N74 V116N74-A76 PolarHBondContact O-N 3.47Å; N74-A76 VanDerWaalsContact O-N 3.1Å; N74-A76 PolarHBondContact OD1-N 3.09Å; A76-V116 HydrophobicContact CB-CG1 4.13Å; A76-V116 HydrophobicContact CB-CG2 4.16Å
77S93.6Very high94Very high38 Ų3833.7 Ų33.727%0.26621%0.205SC..SBendtrans-91.1165-174.462.50000112.8F37 N74 V79F37-S77 WeakPolarHBondContact CE2-O 3.23Å; N74-S77 WeakPolarHBondContact CB-O 3.28Å; N74-S77 PolarHBondContact OD1-N 3.39Å; N74-S77 PolarHBondContact OD1-OG 3.2Å; N74-S77 VanDerWaalsContact OD1-OG 3.06Å; S77-V79 PolarHBondContact O-N 3.33Å; S77-V79 WeakPolarHBondContact OG-CG2 3.03Å
78K93.7Very high94.2Very high83 Ų8328.8 Ų28.836%0.36117%0.171SC..SBendtrans-79.447174.3-66.5-178.5-178.5171.20112.3F37 I93 E94F37-K78 HydrophobicContact CE1-CG 4.45Å; F37-K78 HydrophobicContact CZ-CG 4.1Å; K78-I93 WeakPolarHBondContact O-CB 3.44Å; K78-I93 PolarHBondContact O-N 3.34Å; K78-E94 IonicContact NZ-OE1 2.74Å
79V95.5Very high94.4Very high8 Ų831.1 Ų31.15%0.04818%0.179CC..EExtended strand (participates in β ladder)trans-108.8137.6176.9176.20000108.5N74 S77 I90 M99 W113N74-V79 HydrophobicContact CB-CB 4Å; N74-V79 VanDerWaalsContact CB-O 3.24Å; N74-V79 WeakPolarHBondContact CB-O 3.2Å; N74-V79 PolarHBondContact N-O 3.39Å; S77-V79 PolarHBondContact O-N 3.33Å; S77-V79 WeakPolarHBondContact OG-CG2 3.03Å; V79-I90 HydrophobicContact CG1-CG2 3.41Å; V79-I90 VanDerWaalsContact CG1-CG2 3.41Å; V79-M99 HydrophobicContact CG1-SD 3.96Å; V79-M99 HydrophobicContact CG2-SD 3.87Å; V79-W113 HydrophobicContact CG1-CH2 4.42Å; V79-W113 HydrophobicContact CG1-CZ2 4.46Å
80I96.2Very high94.6Very high0 Ų026.5 Ų26.50%016%0.157CC..EExtended strand (participates in β ladder)trans-122.2137.7179.5-166.7165.7000110.3V50 I52 A71 M73 L82 I90 F91 I93V50-I80 HydrophobicContact CG1-CD1 4.08Å; I52-I80 HydrophobicContact CD1-CD1 4.02Å; A71-I80 HydrophobicContact CB-CD1 4.15Å; M73-I80 HydrophobicContact SD-CB 3.72Å; M73-I80 HydrophobicContact SD-CD1 3.89Å; M73-I80 HydrophobicContact SD-CG1 3.88Å; I80-L82 HydrophobicContact CD1-CD2 3.88Å; I80-L82 HydrophobicContact CG1-CD2 3.97Å; I80-L82 HydrophobicContact CG1-CG 4.42Å; I80-L82 HydrophobicContact CG2-CD1 4.44Å; I80-L82 HydrophobicContact CG2-CD2 4.46Å; I80-L82 HydrophobicContact CG2-CG 4.25Å; I80-I90 WeakPolarHBondContact O-CA 3.29Å; I80-F91 HydrophobicContact CG2-CB 3.9Å; I80-F91 HydrophobicContact CG2-CD1 4.31Å; I80-F91 PolarHBondContact N-O 3.28Å; I80-F91 PolarHBondContact O-N 3.48Å; I80-I93 HydrophobicContact CB-CD1 3.83Å; I80-I93 HydrophobicContact CB-CG1 4.1Å; I80-I93 HydrophobicContact CD1-CD1 4.19Å; I80-I93 HydrophobicContact CG2-CD1 3.74Å; I80-I93 HydrophobicContact CG2-CG1 3.62Å
81A96.3Very high94.6Very high0 Ų027.9 Ų27.90%016%0.161CC..EExtended strand (participates in β ladder)trans-100.4128.3167.400000109.2A71 I72 Q89 I90 W111 W113A71-A81 WeakPolarHBondContact CA-O 3.09Å; I72-A81 HydrophobicContact CD1-CB 4.47Å; I72-A81 HydrophobicContact CG1-CB 3.88Å; I72-A81 PolarHBondContact N-O 3.45Å; I72-A81 PolarHBondContact O-N 2.88Å; A81-Q89 CarbonylContact C-O 3.04Å; A81-Q89 VanDerWaalsContact CA-O 3.3Å; A81-Q89 WeakPolarHBondContact CA-O 3.18Å; A81-I90 HydrophobicContact CB-CG1 4.39Å; A81-W111 HydrophobicContact CB-CE3 4.46Å; A81-W111 HydrophobicContact CB-CH2 3.67Å; A81-W111 HydrophobicContact CB-CZ3 3.57Å; A81-W111 WeakPolarHBondContact O-CH2 3.24Å; A81-W113 HydrophobicContact CB-CZ2 4.11Å
82L95.6Very high94.4Very high16 Ų1629.1 Ų29.18%0.08417%0.167CC..EExtended strand (participates in β ladder)trans-116.5134-179-58.5171.5000110.7I66 A68 A71 I80 L88 Q89 F91I66-L82 HydrophobicContact CD1-CD1 4.47Å; I66-L82 HydrophobicContact CG2-CD1 3.67Å; I66-L82 HydrophobicContact CG2-CD2 3.84Å; I66-L82 HydrophobicContact CG2-CG 4.37Å; A68-L82 HydrophobicContact CB-CB 4.31Å; A68-L82 HydrophobicContact CB-CD2 4.11Å; A71-L82 HydrophobicContact CB-CD2 3.72Å; I80-L82 HydrophobicContact CD1-CD2 3.88Å; I80-L82 HydrophobicContact CG1-CD2 3.97Å; I80-L82 HydrophobicContact CG1-CG 4.42Å; I80-L82 HydrophobicContact CG2-CD1 4.44Å; I80-L82 HydrophobicContact CG2-CD2 4.46Å; I80-L82 HydrophobicContact CG2-CG 4.25Å; L82-L88 WeakPolarHBondContact O-CA 3.22Å; L82-Q89 PolarHBondContact N-O 2.93Å; L82-Q89 PolarHBondContact O-N 3Å; L82-F91 HydrophobicContact CD1-CB 4.47Å
83K95.3Very high94.1Very high17 Ų1729.7 Ų29.77%0.07417%0.17CC..EExtended strand (participates in β ladder)trans-109.7126.9173.4177.4-169.2167.4-166.50109E69 S70 G85 L88 E107 V108 W111E69-K83 PolarHBondContact N-O 3.2Å; E69-K83 WeakPolarHBondContact OE2-CE 3.32Å; E69-K83 IonicContact OE2-NZ 2.98Å; S70-K83 PolarHBondContact N-O 3.35Å; S70-K83 PolarHBondContact O-N 2.96Å; K83-G85 WeakPolarHBondContact CE-O 3.18Å; K83-G85 WeakPolarHBondContact CG-O 3.27Å; K83-L88 HydrophobicContact CB-CD2 3.97Å; K83-L88 HydrophobicContact CG-CD2 3.9Å; K83-E107 IonicContact NZ-OE1 2.68Å; K83-E107 PolarHBondContact NZ-OE1 3.16Å; K83-V108 WeakPolarHBondContact CE-O 3.2Å; K83-V108 PolarHBondContact NZ-O 3.22Å; K83-W111 HydrophobicContact CB-CH2 3.86Å; K83-W111 HydrophobicContact CB-CZ2 3.66Å
84A91.6Very high93.7Very high50 Ų5036.1 Ų36.141%0.41320%0.2SC..EExtended strand (participates in β ladder)trans-12999.9170.100000108.7K86 T87A84-K86 PolarHBondContact O-N 3.1Å; A84-T87 PolarHBondContact N-O 2.89Å; A84-T87 PolarHBondContact O-N 3.19Å
85G89.5Confident93.2Very high24 Ų2442.8 Ų42.825%0.24723%0.233CC..THydrogen-bonded Turntrans55.8-120.3-169.800000111.8E69 K83E69-G85 VanDerWaalsContact CD-N 3.33Å; E69-G85 WeakPolarHBondContact OE1-CA 3.41Å; E69-G85 PolarHBondContact OE1-N 3.13Å; E69-G85 VanDerWaalsContact OE1-N 3.15Å; E69-G85 PolarHBondContact OE2-N 3.12Å; K83-G85 WeakPolarHBondContact CE-O 3.18Å; K83-G85 WeakPolarHBondContact CG-O 3.27Å
86K92.3Very high93Very high108 Ų10849 Ų4947%0.4726%0.258SS..THydrogen-bonded Turntrans-85.9-9.2177.7-64-173.2179.2-169.20114.1A84 T103 M104 A105A84-K86 PolarHBondContact O-N 3.1Å; K86-T103 HydrophobicContact CB-CG2 4.24Å; K86-T103 WeakPolarHBondContact O-CA 3.23Å; K86-M104 PolarHBondContact O-N 3.48Å; K86-A105 PolarHBondContact NZ-O 3.37Å
87T93.8Very high92.9Very high46 Ų4648.5 Ų48.528%0.28225%0.252SS..EExtended strand (participates in β ladder)trans-93.6122.2-177.9-55.40000110.5A84 Q89 T103A84-T87 PolarHBondContact N-O 2.89Å; A84-T87 PolarHBondContact O-N 3.19Å; T87-Q89 HydrophobicContact CG2-CG 4.28Å; T87-T103 PolarHBondContact OG1-OG1 3.19Å
88L95.6Very high92.9Very high0 Ų052.8 Ų52.80%027%0.266CS..EExtended strand (participates in β ladder)trans-103.2138.3175.6-53.5173.1000109.2L82 K83 A101 H102 M104 V108 W111 L121 W130L82-L88 WeakPolarHBondContact O-CA 3.22Å; K83-L88 HydrophobicContact CB-CD2 3.97Å; K83-L88 HydrophobicContact CG-CD2 3.9Å; L88-A101 CarbonylContact O-C 3.2Å; L88-A101 VanDerWaalsContact O-CA 3.22Å; L88-A101 WeakPolarHBondContact O-CA 3.44Å; L88-H102 PolarHBondContact N-O 3.4Å; L88-H102 PolarHBondContact O-N 3.38Å; L88-M104 HydrophobicContact CD1-CG 3.73Å; L88-M104 HydrophobicContact CD1-SD 4.4Å; L88-M104 HydrophobicContact CG-CG 4.33Å; L88-V108 HydrophobicContact CD1-CG2 4.11Å; L88-V108 HydrophobicContact CD2-CG2 4.32Å; L88-W111 HydrophobicContact CD2-CE3 4.18Å; L88-W111 HydrophobicContact CD2-CH2 4.49Å; L88-W111 HydrophobicContact CD2-CZ3 3.95Å; L88-L121 HydrophobicContact CD1-CD1 3.47Å; L88-L121 VanDerWaalsContact CD1-CD1 3.47Å; L88-L121 HydrophobicContact CD1-CD2 3.71Å; L88-L121 HydrophobicContact CD1-CG 4.21Å; L88-W130 HydrophobicContact CB-CE3 4.49Å; L88-W130 HydrophobicContact CB-CH2 4.06Å; L88-W130 HydrophobicContact CB-CZ3 3.64Å; L88-W130 HydrophobicContact CD1-CE3 4.4Å; L88-W130 HydrophobicContact CD1-CZ3 4.32Å
89Q94.3Very high92.7Very high67 Ų6752.7 Ų52.731%0.31327%0.267SS..EExtended strand (participates in β ladder)trans-134132.7179-59.7-176.71.800109.9A81 L82 T87 K100 A101A81-Q89 CarbonylContact C-O 3.04Å; A81-Q89 VanDerWaalsContact CA-O 3.3Å; A81-Q89 WeakPolarHBondContact CA-O 3.18Å; L82-Q89 PolarHBondContact N-O 2.93Å; L82-Q89 PolarHBondContact O-N 3Å; T87-Q89 HydrophobicContact CG2-CG 4.28Å; Q89-K100 CarbonylContact C-O 3.6Å; Q89-K100 WeakPolarHBondContact CA-O 3.47Å; Q89-A101 HydrophobicContact CG-CB 4.17Å
90I95.1Very high92.6Very high0 Ų053.3 Ų53.30%027%0.269CS..EExtended strand (participates in β ladder)trans-102.5122.9167.7-60.6176.3000106.6V79 I80 A81 M99 K100 W130 M132V79-I90 HydrophobicContact CG1-CG2 3.41Å; V79-I90 VanDerWaalsContact CG1-CG2 3.41Å; I80-I90 WeakPolarHBondContact O-CA 3.29Å; A81-I90 HydrophobicContact CB-CG1 4.39Å; I90-M99 HydrophobicContact CB-CB 4.5Å; I90-M99 HydrophobicContact CG2-CB 4.18Å; I90-M99 HydrophobicContact CG2-SD 4.24Å; I90-M99 WeakPolarHBondContact O-CA 3.49Å; I90-M99 WeakPolarHBondContact O-CB 3.34Å; I90-M99 PolarHBondContact O-N 3.2Å; I90-K100 HydrophobicContact CB-CB 4.34Å; I90-K100 PolarHBondContact N-O 2.82Å; I90-K100 PolarHBondContact O-N 3.26Å; I90-K100 VanDerWaalsContact O-N 3.14Å; I90-W130 HydrophobicContact CD1-CD2 4.17Å; I90-W130 HydrophobicContact CD1-CE3 3.89Å; I90-W130 HydrophobicContact CD1-CH2 3.95Å; I90-W130 HydrophobicContact CD1-CZ2 4.21Å; I90-W130 HydrophobicContact CD1-CZ3 3.77Å; I90-W130 HydrophobicContact CG1-CE3 4.24Å; I90-W130 HydrophobicContact CG1-CH2 3.77Å; I90-W130 HydrophobicContact CG1-CZ2 4.46Å; I90-W130 HydrophobicContact CG1-CZ3 3.63Å; I90-M132 HydrophobicContact CD1-CB 3.9Å; I90-M132 HydrophobicContact CG2-CB 4.46Å
91F94.1Very high92.5Very high53 Ų5355.8 Ų55.823%0.23229%0.29CS..EExtended strand (participates in β ladder)trans-126.3133.1-172.1-170.8-90000110I80 L82 I93 K96 K98I80-F91 HydrophobicContact CG2-CB 3.9Å; I80-F91 HydrophobicContact CG2-CD1 4.31Å; I80-F91 PolarHBondContact N-O 3.28Å; I80-F91 PolarHBondContact O-N 3.48Å; L82-F91 HydrophobicContact CD1-CB 4.47Å; F91-I93 HydrophobicContact CD1-CG1 4.42Å; F91-K96 HydrophobicContact CZ-CB 4.34Å; F91-K96 VanDerWaalsContact CZ-O 3.29Å; F91-K96 WeakPolarHBondContact CZ-O 3.07Å; F91-K98 HydrophobicContact CD2-CB 4.17Å
92N93.3Very high92.5Very high27 Ų2757.8 Ų57.814%0.14430%0.299CS..EExtended strand (participates in β ladder)trans-86.9116.2173.3-172.9-34.1000108.9E94 M95 K96 S97 M99N92-E94 PolarHBondContact OD1-N 3.33Å; N92-M95 HydrophobicContact CB-CB 4.26Å; N92-M95 PolarHBondContact OD1-N 2.89Å; N92-M95 VanDerWaalsContact OD1-N 3.13Å; N92-K96 VanDerWaalsContact O-CA 3.3Å; N92-K96 WeakPolarHBondContact O-CA 3.48Å; N92-K96 PolarHBondContact O-N 3.49Å; N92-S97 PolarHBondContact N-O 3.19Å; N92-S97 PolarHBondContact O-N 3.07Å; N92-M99 HydrophobicContact CB-CG 3.91Å; N92-M99 HydrophobicContact CB-SD 3.92Å
93I89.9Confident92.5Very high15 Ų1561.2 Ų61.28%0.07732%0.321CS..THydrogen-bonded Turntrans-72.2-33-175.6-64-166.2000112I52 M73 K78 I80 F91I52-I93 HydrophobicContact CD1-CD1 3.08Å; M73-I93 HydrophobicContact CE-CD1 4.31Å; M73-I93 HydrophobicContact SD-CD1 3.81Å; K78-I93 WeakPolarHBondContact O-CB 3.44Å; K78-I93 PolarHBondContact O-N 3.34Å; I80-I93 HydrophobicContact CB-CD1 3.83Å; I80-I93 HydrophobicContact CB-CG1 4.1Å; I80-I93 HydrophobicContact CD1-CD1 4.19Å; I80-I93 HydrophobicContact CG2-CD1 3.74Å; I80-I93 HydrophobicContact CG2-CG1 3.62Å; F91-I93 HydrophobicContact CD1-CG1 4.42Å
94E87.8Confident92.4Very high139 Ų13961 Ų6165%0.6532%0.32SS*.THydrogen-bonded Turntrans-75.6-47.3-176-168.5155.5-132.300110.8K78 N92 K96K78-E94 IonicContact NZ-OE1 2.74Å; N92-E94 PolarHBondContact OD1-N 3.33Å; E94-K96 VanDerWaalsContact C-N 3.28Å; E94-K96 PolarHBondContact O-N 2.87Å
95M87.7Confident92.4Very high140 Ų14063 Ų6369%0.6934%0.336SS*.THydrogen-bonded Turntrans-79.7-9.5176.6-62.1-177.172.800113.7N92 S97N92-M95 HydrophobicContact CB-CB 4.26Å; N92-M95 PolarHBondContact OD1-N 2.89Å; N92-M95 VanDerWaalsContact OD1-N 3.13Å; M95-S97 WeakPolarHBondContact CB-OG 3.03Å; M95-S97 PolarHBondContact O-N 2.99Å
96K89.4Confident92.5Very high143 Ų14365.1 Ų65.162%0.62234%0.34SS*.THydrogen-bonded Turntrans52.631.9-173.3-54.5177.2-174.9169.80113.4F91 N92 E94F91-K96 HydrophobicContact CZ-CB 4.34Å; F91-K96 VanDerWaalsContact CZ-O 3.29Å; F91-K96 WeakPolarHBondContact CZ-O 3.07Å; N92-K96 VanDerWaalsContact O-CA 3.3Å; N92-K96 WeakPolarHBondContact O-CA 3.48Å; N92-K96 PolarHBondContact O-N 3.49Å; E94-K96 VanDerWaalsContact C-N 3.28Å; E94-K96 PolarHBondContact O-N 2.87Å
97S91.6Very high92.5Very high45 Ų4564.7 Ų64.732%0.31534%0.34SS..EExtended strand (participates in β ladder)trans-117.2143.6-176.461.50000111.2N92 M95 M99N92-S97 PolarHBondContact N-O 3.19Å; N92-S97 PolarHBondContact O-N 3.07Å; M95-S97 WeakPolarHBondContact CB-OG 3.03Å; M95-S97 PolarHBondContact O-N 2.99Å; S97-M99 PolarHBondContact O-N 3.34Å
98K91.7Very high92.5Very high128 Ų12862.7 Ų62.756%0.55733%0.328SS*.EExtended strand (participates in β ladder)trans-75.9119.6172.2-174.4-178.872.1-177.50108.3F91 A101F91-K98 HydrophobicContact CD2-CB 4.17Å; K98-A101 HydrophobicContact CD-CB 4.14Å
99M91.2Very high92.5Very high81 Ų8166.2 Ų66.240%0.39935%0.345SS..EExtended strand (participates in β ladder)trans-81.5-52.3178.1-62.2-176.867.900110.9V79 I90 N92 S97V79-M99 HydrophobicContact CG1-SD 3.96Å; V79-M99 HydrophobicContact CG2-SD 3.87Å; I90-M99 HydrophobicContact CB-CB 4.5Å; I90-M99 HydrophobicContact CG2-CB 4.18Å; I90-M99 HydrophobicContact CG2-SD 4.24Å; I90-M99 WeakPolarHBondContact O-CA 3.49Å; I90-M99 WeakPolarHBondContact O-CB 3.34Å; I90-M99 PolarHBondContact O-N 3.2Å; N92-M99 HydrophobicContact CB-CG 3.91Å; N92-M99 HydrophobicContact CB-SD 3.92Å; S97-M99 PolarHBondContact O-N 3.34Å
100K93.4Very high92.5Very high20 Ų2064.3 Ų64.39%0.08734%0.336CS..EExtended strand (participates in β ladder)trans-144153.3-178.8-65.2-178.173.5164.80111.1Q89 I90 W130 S131 M132 E133 G134 S136Q89-K100 CarbonylContact C-O 3.6Å; Q89-K100 WeakPolarHBondContact CA-O 3.47Å; I90-K100 HydrophobicContact CB-CB 4.34Å; I90-K100 PolarHBondContact N-O 2.82Å; I90-K100 PolarHBondContact O-N 3.26Å; I90-K100 VanDerWaalsContact O-N 3.14Å; K100-W130 HydrophobicContact CB-CH2 4.28Å; K100-W130 HydrophobicContact CB-CZ2 3.73Å; K100-S131 PolarHBondContact NZ-O 2.78Å; K100-M132 WeakPolarHBondContact CD-O 3.08Å; K100-E133 PolarHBondContact NZ-O 3.27Å; K100-G134 VanDerWaalsContact CD-O 3.29Å; K100-G134 WeakPolarHBondContact CD-O 3.42Å; K100-G134 WeakPolarHBondContact CE-O 3.23Å; K100-G134 PolarHBondContact NZ-O 2.96Å; K100-S136 WeakPolarHBondContact CE-O 3.34Å; K100-S136 PolarHBondContact NZ-O 2.74Å; K100-S136 PolarHBondContact NZ-OG 3.19Å
101A94.3Very high92.6Very high52 Ų5265 Ų6543%0.4334%0.339SS..EExtended strand (participates in β ladder)trans-140.2146.2168.900000110L88 Q89 K98L88-A101 CarbonylContact O-C 3.2Å; L88-A101 VanDerWaalsContact O-CA 3.22Å; L88-A101 WeakPolarHBondContact O-CA 3.44Å; Q89-A101 HydrophobicContact CG-CB 4.17Å; K98-A101 HydrophobicContact CD-CB 4.14Å
102H94.7Very high92.7Very high43 Ų4363.8 Ų63.820%0.19933%0.334CS..EExtended strand (participates in β ladder)trans-149.2135.7175.6-173.877.4000110L88 W130 P138L88-H102 PolarHBondContact N-O 3.4Å; L88-H102 PolarHBondContact O-N 3.38Å; H102-W130 HydrophobicContact CB-CH2 4.13Å; H102-W130 HydrophobicContact CB-CZ2 3.75Å; H102-P138 HydrophobicContact CB-CG 4.41Å; H102-P138 VanDerWaalsContact CD2-CG 3.44Å; H102-P138 WeakPolarHBondContact CD2-CG 3.41Å
103T95.3Very high92.8Very high88 Ų8862.9 Ų62.954%0.5433%0.328SS..EExtended strand (participates in β ladder)trans-103115.4174.9-59.40000108.7K86 T87K86-T103 HydrophobicContact CB-CG2 4.24Å; K86-T103 WeakPolarHBondContact O-CA 3.23Å; T87-T103 PolarHBondContact OG1-OG1 3.19Å
104M94.1Very high92.9Very high12 Ų1263.7 Ų63.76%0.05933%0.333CS..  trans-76.8148179.6-67.2-72.7-63.700110.9K86 L88 E106 V108 L121 T123 Y128 P138K86-M104 PolarHBondContact O-N 3.48Å; L88-M104 HydrophobicContact CD1-CG 3.73Å; L88-M104 HydrophobicContact CD1-SD 4.4Å; L88-M104 HydrophobicContact CG-CG 4.33Å; M104-E106 WeakPolarHBondContact CB-O 3.31Å; M104-V108 HydrophobicContact CB-CG2 4.42Å; M104-V108 HydrophobicContact CE-CG2 4.35Å; M104-V108 HydrophobicContact CG-CG2 3.81Å; M104-L121 HydrophobicContact SD-CD1 4.02Å; M104-T123 HydrophobicContact CE-CG2 3.69Å; M104-Y128 HydrophobicContact CE-CD2 3.97Å; M104-Y128 HydrophobicContact CE-CE2 4.02Å; M104-Y128 HydrophobicContact CE-CG 4.32Å; M104-P138 HydrophobicContact SD-CB 4.3Å; M104-P138 HydrophobicContact SD-CG 4.09Å
105A91.6Very high93.2Very high91 Ų9158.3 Ų58.375%0.75231%0.311SS*.SBendtrans-67.7-45.7173.700000111.6K86K86-A105 PolarHBondContact NZ-O 3.37Å
106E91.7Very high93.4Very high69 Ų6955 Ų5532%0.32230%0.299SS..SBendtrans-98.9157.2174.4-67.1-179.9-172.200111.3M104 T123 T125M104-E106 WeakPolarHBondContact CB-O 3.31Å; E106-T123 HydrophobicContact CB-CG2 4.05Å; E106-T123 WeakPolarHBondContact OE2-CB 3.5Å; E106-T123 PolarHBondContact OE2-OG1 3.1Å; E106-T125 VanDerWaalsContact CD-OG1 3.23Å; E106-T125 WeakPolarHBondContact OE1-CG2 3.21Å; E106-T125 PolarHBondContact OE1-OG1 3.21Å; E106-T125 PolarHBondContact OE2-OG1 2.94Å
107E91.6Very high93.6Very high100 Ų10050.5 Ų50.547%0.46728%0.281SS..  trans-72.1135.8175-158.7-170.9151.300111.3K83 I109K83-E107 IonicContact NZ-OE1 2.68Å; K83-E107 PolarHBondContact NZ-OE1 3.16Å; E107-I109 PolarHBondContact O-N 3.28Å
108V95.1Very high93.8Very high4 Ų449 Ų492%0.02427%0.27CS..  trans-80.1109.6173.2179.70000109.2K83 L88 M104 F110 W111 L121 V122K83-V108 WeakPolarHBondContact CE-O 3.2Å; K83-V108 PolarHBondContact NZ-O 3.22Å; L88-V108 HydrophobicContact CD1-CG2 4.11Å; L88-V108 HydrophobicContact CD2-CG2 4.32Å; M104-V108 HydrophobicContact CB-CG2 4.42Å; M104-V108 HydrophobicContact CE-CG2 4.35Å; M104-V108 HydrophobicContact CG-CG2 3.81Å; V108-F110 WeakPolarHBondContact CG1-O 3.17Å; V108-W111 HydrophobicContact CG1-CB 3.94Å; V108-W111 HydrophobicContact CG1-CG 4.39Å; V108-L121 HydrophobicContact CG1-CB 4.24Å; V108-L121 HydrophobicContact CG1-CD2 4.45Å; V108-L121 HydrophobicContact CG2-CB 4.29Å; V108-V122 CarbonylContact C-O 3.52Å
109I94.1Very high94Very high73 Ų7342.9 Ų42.937%0.37424%0.244SC..  trans-82.1-25.9-179.263.1156.1000112.7E107 V122 E124 V153E107-I109 PolarHBondContact O-N 3.28Å; I109-V122 HydrophobicContact CG1-CG1 4.31Å; I109-V122 VanDerWaalsContact CG1-O 3.28Å; I109-V122 WeakPolarHBondContact CG1-O 3.28Å; I109-V122 PolarHBondContact N-O 3.49Å; I109-E124 HydrophobicContact CG2-CG 4.08Å; I109-V153 HydrophobicContact CD1-CB 4.45Å; I109-V153 HydrophobicContact CD1-CG2 3.73Å
110F95.3Very high94.3Very high28 Ų2839 Ų3912%0.12323%0.225CC..EExtended strand (participates in β ladder)trans-151.7147.6178179.1-89.9000109.9F27 V108 K112 V122 V153F27-F110 HydrophobicContact CZ-CE2 4.35Å; V108-F110 WeakPolarHBondContact CG1-O 3.17Å; F110-K112 HydrophobicContact CE1-CB 3.83Å; F110-K112 HydrophobicContact CZ-CB 4.09Å; F110-K112 HydrophobicContact CZ-CD 4.5Å; F110-V122 HydrophobicContact CB-CB 4.16Å; F110-V122 HydrophobicContact CB-CG2 4.49Å; F110-V122 HydrophobicContact CD1-CG2 3.98Å; F110-V122 PolarHBondContact N-O 3.06Å; F110-V122 WeakPolarHBondContact O-CA 3.41Å; F110-V122 WeakPolarHBondContact O-CB 3.38Å; F110-V122 PolarHBondContact O-N 3.03Å; F110-V153 HydrophobicContact CB-CB 3.81Å; F110-V153 HydrophobicContact CB-CG1 3.6Å; F110-V153 HydrophobicContact CD1-CG1 3.66Å; F110-V153 HydrophobicContact CD2-CG1 4.05Å; F110-V153 HydrophobicContact CE1-CG1 4.37Å; F110-V153 HydrophobicContact CG-CB 4.13Å; F110-V153 HydrophobicContact CG-CG1 3.48Å; F110-V153 VanDerWaalsContact CG-CG1 3.48Å
111W96.4Very high94.4Very high14 Ų1438.1 Ų38.15%0.05322%0.221CC..EExtended strand (participates in β ladder)trans-156.8152.7177.463-23.1000110.9S70 I72 A81 K83 L88 V108 V119 A120 L121S70-W111 PolarHBondContact OG-NE1 3.27Å; I72-W111 HydrophobicContact CD1-CD2 3.64Å; I72-W111 HydrophobicContact CD1-CE3 3.96Å; I72-W111 HydrophobicContact CD1-CG 3.91Å; I72-W111 HydrophobicContact CD1-CZ2 4.33Å; I72-W111 HydrophobicContact CD1-CZ3 4.43Å; I72-W111 HydrophobicContact CG1-CD2 4.23Å; I72-W111 HydrophobicContact CG1-CE3 4.49Å; I72-W111 HydrophobicContact CG1-CH2 4.26Å; I72-W111 HydrophobicContact CG1-CZ2 3.98Å; A81-W111 HydrophobicContact CB-CE3 4.46Å; A81-W111 HydrophobicContact CB-CH2 3.67Å; A81-W111 HydrophobicContact CB-CZ3 3.57Å; A81-W111 WeakPolarHBondContact O-CH2 3.24Å; K83-W111 HydrophobicContact CB-CH2 3.86Å; K83-W111 HydrophobicContact CB-CZ2 3.66Å; L88-W111 HydrophobicContact CD2-CE3 4.18Å; L88-W111 HydrophobicContact CD2-CH2 4.49Å; L88-W111 HydrophobicContact CD2-CZ3 3.95Å; V108-W111 HydrophobicContact CG1-CB 3.94Å; V108-W111 HydrophobicContact CG1-CG 4.39Å; W111-V119 HydrophobicContact CE3-CG1 4Å; W111-A120 CarbonylContact C-O 3.6Å; W111-A120 WeakPolarHBondContact CA-O 3.46Å; W111-A120 VanDerWaalsContact CB-O 3.24Å; W111-A120 WeakPolarHBondContact CB-O 3.22Å; W111-L121 HydrophobicContact CB-CD2 3.97Å; W111-L121 HydrophobicContact CE3-CD2 3.83Å
112K95.8Very high94.6Very high28 Ų2835.6 Ų35.612%0.12220%0.201CC..EExtended strand (participates in β ladder)trans-156.7146.9-173.9-165.2179.3170.2510110.8E33 F110 V114 A120E33-K112 VanDerWaalsContact CD-NZ 3.28Å; E33-K112 IonicContact OE1-NZ 2.68Å; E33-K112 PolarHBondContact OE1-NZ 2.93Å; E33-K112 WeakPolarHBondContact OE2-CG 3.49Å; E33-K112 IonicContact OE2-NZ 2.76Å; E33-K112 PolarHBondContact OE2-NZ 3.31Å; F110-K112 HydrophobicContact CE1-CB 3.83Å; F110-K112 HydrophobicContact CZ-CB 4.09Å; F110-K112 HydrophobicContact CZ-CD 4.5Å; K112-V114 PolarHBondContact O-N 3.25Å; K112-A120 PolarHBondContact N-O 3.38Å; K112-A120 PolarHBondContact O-N 3.34Å
113W96.1Very high94.6Very high8 Ų833.6 Ų33.63%0.0319%0.191CC..EExtended strand (participates in β ladder)trans-72.7123.6165.8-71.792.3000109.9E33 I72 M73 N74 P75 V79 A81 V119 M132E33-W113 PolarHBondContact OE2-N 3.45Å; E33-W113 VanDerWaalsContact OE2-N 3.13Å; I72-W113 PolarHBondContact O-NE1 2.72Å; M73-W113 PolarHBondContact O-NE1 3.3Å; N74-W113 HydrophobicContact CB-CH2 4.46Å; N74-W113 HydrophobicContact CB-CZ2 4.16Å; N74-W113 WeakPolarHBondContact ND2-CH2 3.39Å; N74-W113 WeakPolarHBondContact ND2-CZ3 3.41Å; P75-W113 HydrophobicContact CG-CB 3.58Å; P75-W113 HydrophobicContact CG-CG 4.21Å; V79-W113 HydrophobicContact CG1-CH2 4.42Å; V79-W113 HydrophobicContact CG1-CZ2 4.46Å; A81-W113 HydrophobicContact CB-CZ2 4.11Å; W113-V119 HydrophobicContact CD2-CG2 3.64Å; W113-V119 HydrophobicContact CE3-CG2 3.57Å; W113-V119 HydrophobicContact CG-CG2 4.43Å; W113-V119 HydrophobicContact CH2-CG2 3.61Å; W113-V119 HydrophobicContact CZ2-CG2 3.68Å; W113-V119 HydrophobicContact CZ3-CG2 3.56Å; W113-M132 HydrophobicContact CH2-CB 4.18Å; W113-M132 HydrophobicContact CH2-SD 3.9Å; W113-M132 HydrophobicContact CZ3-CB 4.34Å; W113-M132 HydrophobicContact CZ3-SD 3.89Å
114V93.3Very high94.4Very high31 Ų3136.2 Ų36.219%0.18820%0.197CC..SBendtrans-95.4-28.9177.1-64.20000111.8K112 T118 A120 Y156 T158K112-V114 PolarHBondContact O-N 3.25Å; V114-T118 HydrophobicContact CG2-CG2 3.72Å; V114-T118 WeakPolarHBondContact CG2-O 3.36Å; V114-T118 PolarHBondContact N-O 2.89Å; V114-A120 HydrophobicContact CG1-CB 3.55Å; V114-Y156 HydrophobicContact CG1-CD1 3.54Å; V114-Y156 HydrophobicContact CG1-CE1 3.55Å; V114-T158 HydrophobicContact CB-CG2 4.27Å; V114-T158 HydrophobicContact CG1-CG2 4.17Å
115S92.4Very high94.3Very high27 Ų2738.7 Ų38.719%0.18921%0.213CC..SBendtrans-141.2-178.3175.169.10000109.4N117 T118S115-N117 PolarHBondContact O-N 2.98Å; S115-N117 PolarHBondContact OG-N 3.33Å; S115-N117 PolarHBondContact OG-OD1 3.06Å; S115-T118 PolarHBondContact N-O 2.97Å; S115-T118 VanDerWaalsContact OG-CB 3.3Å; S115-T118 WeakPolarHBondContact OG-CB 3.08Å; S115-T118 PolarHBondContact OG-N 3.15Å; S115-T118 PolarHBondContact OG-OG1 3.4Å
116V92.8Very high94.5Very high69 Ų6934.4 Ų34.442%0.41818%0.177SC..SBendtrans-65.3-20.2173.4-177.60000111.7N74 A76 M132N74-V116 PolarHBondContact ND2-O 3.01Å; A76-V116 HydrophobicContact CB-CG1 4.13Å; A76-V116 HydrophobicContact CB-CG2 4.16Å; V116-M132 WeakPolarHBondContact O-CE 3.31Å
117N93.1Very high94.8Very high49 Ų4931.1 Ų31.126%0.26216%0.162SC..SBendtrans-1240.4-174.862.7-6.1000114.8S115 S131 M132 E133S115-N117 PolarHBondContact O-N 2.98Å; S115-N117 PolarHBondContact OG-N 3.33Å; S115-N117 PolarHBondContact OG-OD1 3.06Å; N117-S131 CarbonylContact O-C 3.59Å; N117-S131 VanDerWaalsContact O-CA 3.32Å; N117-S131 WeakPolarHBondContact O-CA 3.21Å; N117-S131 PolarHBondContact O-OG 3.27Å; N117-M132 HydrophobicContact CB-CE 3.89Å; N117-M132 HydrophobicContact CB-CG 4.08Å; N117-M132 HydrophobicContact CB-SD 4.47Å; N117-M132 PolarHBondContact O-N 3.11Å; N117-E133 HydrophobicContact CB-CG 4.38Å; N117-E133 VanDerWaalsContact CB-OE1 3.3Å; N117-E133 WeakPolarHBondContact CB-OE1 3.24Å; N117-E133 PolarHBondContact ND2-OE1 2.78Å
118T95.1Very high95.1Very high13 Ų1328.6 Ų28.68%0.0815%0.149CC..EExtended strand (participates in β ladder)trans-131.9131.1-175.6-51.80000111.6V114 S115 H129 W130V114-T118 HydrophobicContact CG2-CG2 3.72Å; V114-T118 WeakPolarHBondContact CG2-O 3.36Å; V114-T118 PolarHBondContact N-O 2.89Å; S115-T118 PolarHBondContact N-O 2.97Å; S115-T118 VanDerWaalsContact OG-CB 3.3Å; S115-T118 WeakPolarHBondContact OG-CB 3.08Å; S115-T118 PolarHBondContact OG-N 3.15Å; S115-T118 PolarHBondContact OG-OG1 3.4Å; T118-H129 HydrophobicContact CG2-CB 3.82Å; T118-W130 WeakPolarHBondContact CA-O 3.07Å
119V96.4Very high95.2Very high0 Ų028.8 Ų28.80%015%0.149CC..EExtended strand (participates in β ladder)trans-103.9125.4172.7-173.60000108.5I72 W111 W113 L121 W130I72-V119 HydrophobicContact CD1-CG1 4.21Å; W111-V119 HydrophobicContact CE3-CG1 4Å; W113-V119 HydrophobicContact CD2-CG2 3.64Å; W113-V119 HydrophobicContact CE3-CG2 3.57Å; W113-V119 HydrophobicContact CG-CG2 4.43Å; W113-V119 HydrophobicContact CH2-CG2 3.61Å; W113-V119 HydrophobicContact CZ2-CG2 3.68Å; W113-V119 HydrophobicContact CZ3-CG2 3.56Å; V119-L121 HydrophobicContact CG1-CD2 3.81Å; V119-W130 PolarHBondContact N-O 3.07Å; V119-W130 PolarHBondContact O-N 3.12Å
120A97.1Very high95.3Very high1 Ų125.4 Ų25.41%0.00813%0.132CC..EExtended strand (participates in β ladder)trans-84.6133.8167.800000110.2W111 K112 V114 Y128 Y156W111-A120 CarbonylContact C-O 3.6Å; W111-A120 WeakPolarHBondContact CA-O 3.46Å; W111-A120 VanDerWaalsContact CB-O 3.24Å; W111-A120 WeakPolarHBondContact CB-O 3.22Å; K112-A120 PolarHBondContact N-O 3.38Å; K112-A120 PolarHBondContact O-N 3.34Å; V114-A120 HydrophobicContact CG1-CB 3.55Å; A120-Y128 CarbonylContact C-O 3.5Å; A120-Y128 VanDerWaalsContact CA-O 3.31Å; A120-Y128 WeakPolarHBondContact CA-O 3.24Å; A120-Y156 HydrophobicContact CB-CD1 3.38Å; A120-Y156 HydrophobicContact CB-CE1 3.52Å; A120-Y156 HydrophobicContact CB-CG 4.16Å
121L96.9Very high95.3Very high0 Ų025.1 Ų25.10%013%0.133CC..EExtended strand (participates in β ladder)trans-117.9131.4177.8-47172.4000108.3L88 M104 V108 W111 V119 V127 Y128 W130 P138L88-L121 HydrophobicContact CD1-CD1 3.47Å; L88-L121 VanDerWaalsContact CD1-CD1 3.47Å; L88-L121 HydrophobicContact CD1-CD2 3.71Å; L88-L121 HydrophobicContact CD1-CG 4.21Å; M104-L121 HydrophobicContact SD-CD1 4.02Å; V108-L121 HydrophobicContact CG1-CB 4.24Å; V108-L121 HydrophobicContact CG1-CD2 4.45Å; V108-L121 HydrophobicContact CG2-CB 4.29Å; W111-L121 HydrophobicContact CB-CD2 3.97Å; W111-L121 HydrophobicContact CE3-CD2 3.83Å; V119-L121 HydrophobicContact CG1-CD2 3.81Å; L121-V127 CarbonylContact O-C 3.59Å; L121-V127 WeakPolarHBondContact O-CA 3.1Å; L121-Y128 PolarHBondContact N-O 3.06Å; L121-Y128 PolarHBondContact O-N 3.17Å; L121-W130 HydrophobicContact CD1-CB 4.03Å; L121-W130 HydrophobicContact CD1-CE3 4.47Å; L121-W130 HydrophobicContact CG-CB 4.44Å; L121-P138 HydrophobicContact CD1-CB 3.88Å; L121-P138 HydrophobicContact CD1-CG 3.87Å
122V97Very high95Very high0 Ų025.9 Ų25.90%014%0.138CC..EExtended strand (participates in β ladder)trans-119.4117.4179.6-1760000107.9V108 I109 F110 V127 V153 L167V108-V122 CarbonylContact C-O 3.52Å; I109-V122 HydrophobicContact CG1-CG1 4.31Å; I109-V122 VanDerWaalsContact CG1-O 3.28Å; I109-V122 WeakPolarHBondContact CG1-O 3.28Å; I109-V122 PolarHBondContact N-O 3.49Å; F110-V122 HydrophobicContact CB-CB 4.16Å; F110-V122 HydrophobicContact CB-CG2 4.49Å; F110-V122 HydrophobicContact CD1-CG2 3.98Å; F110-V122 PolarHBondContact N-O 3.06Å; F110-V122 WeakPolarHBondContact O-CA 3.41Å; F110-V122 WeakPolarHBondContact O-CB 3.38Å; F110-V122 PolarHBondContact O-N 3.03Å; V122-V127 HydrophobicContact CG1-CG2 4.22Å; V122-V127 HydrophobicContact CG2-CG1 4.29Å; V122-V127 HydrophobicContact CG2-CG2 4.16Å; V122-V153 HydrophobicContact CG1-CG2 4.22Å; V122-L167 HydrophobicContact CG1-CD1 4.03Å; V122-L167 HydrophobicContact CG1-CD2 4.14Å; V122-L167 HydrophobicContact CG2-CD1 3.83Å
123T95Very high94.7Very high0 Ų029.8 Ų29.80%016%0.156CC..  trans-95.9-175.9171.772.40000110M104 E106 T125 A126 Y128 R144M104-T123 HydrophobicContact CE-CG2 3.69Å; E106-T123 HydrophobicContact CB-CG2 4.05Å; E106-T123 WeakPolarHBondContact OE2-CB 3.5Å; E106-T123 PolarHBondContact OE2-OG1 3.1Å; T123-T125 PolarHBondContact O-N 3.25Å; T123-T125 PolarHBondContact OG1-N 3.31Å; T123-T125 PolarHBondContact OG1-OG1 3.09Å; T123-A126 PolarHBondContact N-O 2.69Å; T123-A126 PolarHBondContact OG1-N 3.34Å; T123-A126 VanDerWaalsContact OG1-N 3.07Å; T123-A126 PolarHBondContact OG1-O 2.93Å; T123-Y128 HydrophobicContact CG2-CD2 4.22Å; T123-Y128 HydrophobicContact CG2-CE2 3.83Å; T123-R144 WeakPolarHBondContact O-CD 3.47Å; T123-R144 PolarHBondContact O-NH1 2.75Å
124E91.1Very high94.2Very high144 Ų14432.1 Ų32.167%0.67318%0.183SC*.SBendtrans-64.1-32.3173.9-67.4-164.7160.900112.6I109 R144I109-E124 HydrophobicContact CG2-CG 4.08Å; E124-R144 WeakPolarHBondContact O-CD 3.42Å; E124-R144 PolarHBondContact O-NH1 3.1Å
125T93.2Very high93.9Very high64 Ų6438.2 Ų38.239%0.39322%0.215SC..SBendtrans-105.2-30.2-17363.60000114.2E106 T123 R144E106-T125 VanDerWaalsContact CD-OG1 3.23Å; E106-T125 WeakPolarHBondContact OE1-CG2 3.21Å; E106-T125 PolarHBondContact OE1-OG1 3.21Å; E106-T125 PolarHBondContact OE2-OG1 2.94Å; T123-T125 PolarHBondContact O-N 3.25Å; T123-T125 PolarHBondContact OG1-N 3.31Å; T123-T125 PolarHBondContact OG1-OG1 3.09Å; T125-R144 WeakPolarHBondContact O-CB 3.26Å; T125-R144 PolarHBondContact O-N 3.08Å
126A95.9Very high93.7Very high0 Ų039 Ų390%022%0.22CC..EExtended strand (participates in β ladder)trans-148.3168-170.200000114.4T123 Y128 K140T123-A126 PolarHBondContact N-O 2.69Å; T123-A126 PolarHBondContact OG1-N 3.34Å; T123-A126 VanDerWaalsContact OG1-N 3.07Å; T123-A126 PolarHBondContact OG1-O 2.93Å; A126-Y128 HydrophobicContact CB-CD2 4.47Å; A126-Y128 HydrophobicContact CB-CE2 3.66Å; A126-K140 HydrophobicContact CB-CD 4.27Å; A126-K140 HydrophobicContact CB-CG 4.28Å
127V97.3Very high93.8Very high0 Ų042.2 Ų42.20%023%0.23CC..EExtended strand (participates in β ladder)trans-115.2135173-177.40000109.9L121 V122 M141 F142 R144 Y156 L167L121-V127 CarbonylContact O-C 3.59Å; L121-V127 WeakPolarHBondContact O-CA 3.1Å; V122-V127 HydrophobicContact CG1-CG2 4.22Å; V122-V127 HydrophobicContact CG2-CG1 4.29Å; V122-V127 HydrophobicContact CG2-CG2 4.16Å; V127-M141 PolarHBondContact O-N 3.44Å; V127-F142 HydrophobicContact CB-CD1 4.28Å; V127-F142 HydrophobicContact CB-CE1 3.88Å; V127-F142 HydrophobicContact CB-CE2 4.19Å; V127-F142 HydrophobicContact CB-CZ 3.85Å; V127-F142 HydrophobicContact CG1-CE1 4.08Å; V127-F142 HydrophobicContact CG1-CZ 4.25Å; V127-F142 HydrophobicContact CG2-CD2 4.36Å; V127-F142 HydrophobicContact CG2-CE1 4.13Å; V127-F142 HydrophobicContact CG2-CE2 3.68Å; V127-F142 HydrophobicContact CG2-CZ 3.56Å; V127-F142 PolarHBondContact N-O 3Å; V127-F142 PolarHBondContact O-N 2.88Å; V127-R144 HydrophobicContact CG2-CG 4.35Å; V127-Y156 HydrophobicContact CG1-CD2 4.21Å; V127-Y156 HydrophobicContact CG1-CE2 3.63Å; V127-L167 HydrophobicContact CG2-CD2 3.92Å
128Y97.3Very high93.9Very high47 Ų4740.8 Ų40.818%0.18422%0.224CC..EExtended strand (participates in β ladder)trans-125150.9-178.3-56.8-105.2000111M104 A120 L121 T123 A126 P138 M139 K140M104-Y128 HydrophobicContact CE-CD2 3.97Å; M104-Y128 HydrophobicContact CE-CE2 4.02Å; M104-Y128 HydrophobicContact CE-CG 4.32Å; A120-Y128 CarbonylContact C-O 3.5Å; A120-Y128 VanDerWaalsContact CA-O 3.31Å; A120-Y128 WeakPolarHBondContact CA-O 3.24Å; L121-Y128 PolarHBondContact N-O 3.06Å; L121-Y128 PolarHBondContact O-N 3.17Å; T123-Y128 HydrophobicContact CG2-CD2 4.22Å; T123-Y128 HydrophobicContact CG2-CE2 3.83Å; A126-Y128 HydrophobicContact CB-CD2 4.47Å; A126-Y128 HydrophobicContact CB-CE2 3.66Å; Y128-P138 HydrophobicContact CD1-CB 4.41Å; Y128-M139 CarbonylContact C-O 3.5Å; Y128-M139 WeakPolarHBondContact CA-O 3.46Å; Y128-K140 VanDerWaalsContact CD1-CA 3.46Å; Y128-K140 HydrophobicContact CD1-CB 3.75Å; Y128-K140 HydrophobicContact CD1-CG 4.37Å; Y128-K140 HydrophobicContact CE1-CB 3.59Å; Y128-K140 HydrophobicContact CE1-CD 4.45Å; Y128-K140 HydrophobicContact CE1-CG 4.01Å
129H97.1Very high93.9Very high8 Ų845.6 Ų45.64%0.03725%0.247CC..EExtended strand (participates in β ladder)trans-111.8126.9167.8-76.9-174.1000109.7T118 M139 M141 Y156T118-H129 HydrophobicContact CG2-CB 3.82Å; H129-M139 PolarHBondContact N-O 2.96Å; H129-M139 PolarHBondContact O-N 2.91Å; H129-M141 HydrophobicContact CB-CG 3.97Å; H129-M141 HydrophobicContact CB-SD 3.95Å; H129-Y156 AromaticContact NE2-CE1 3.55Å; H129-Y156 AromaticContact NE2-CZ 3.57Å; H129-Y156 PolarHBondContact NE2-OH 2.93Å
130W96.6Very high93.9Very high3 Ų350.6 Ų50.61%0.01127%0.268CS..EExtended strand (participates in β ladder)trans-118.3112.5178.9-172.932.3000109.8L88 I90 K100 H102 T118 V119 L121 S136 P138L88-W130 HydrophobicContact CB-CE3 4.49Å; L88-W130 HydrophobicContact CB-CH2 4.06Å; L88-W130 HydrophobicContact CB-CZ3 3.64Å; L88-W130 HydrophobicContact CD1-CE3 4.4Å; L88-W130 HydrophobicContact CD1-CZ3 4.32Å; I90-W130 HydrophobicContact CD1-CD2 4.17Å; I90-W130 HydrophobicContact CD1-CE3 3.89Å; I90-W130 HydrophobicContact CD1-CH2 3.95Å; I90-W130 HydrophobicContact CD1-CZ2 4.21Å; I90-W130 HydrophobicContact CD1-CZ3 3.77Å; I90-W130 HydrophobicContact CG1-CE3 4.24Å; I90-W130 HydrophobicContact CG1-CH2 3.77Å; I90-W130 HydrophobicContact CG1-CZ2 4.46Å; I90-W130 HydrophobicContact CG1-CZ3 3.63Å; K100-W130 HydrophobicContact CB-CH2 4.28Å; K100-W130 HydrophobicContact CB-CZ2 3.73Å; H102-W130 HydrophobicContact CB-CH2 4.13Å; H102-W130 HydrophobicContact CB-CZ2 3.75Å; T118-W130 WeakPolarHBondContact CA-O 3.07Å; V119-W130 PolarHBondContact N-O 3.07Å; V119-W130 PolarHBondContact O-N 3.12Å; L121-W130 HydrophobicContact CD1-CB 4.03Å; L121-W130 HydrophobicContact CD1-CE3 4.47Å; L121-W130 HydrophobicContact CG-CB 4.44Å; W130-S136 PolarHBondContact NE1-O 3.48Å; W130-P138 HydrophobicContact CB-CB 4.1Å; W130-P138 HydrophobicContact CB-CG 3.99Å; W130-P138 HydrophobicContact CD2-CG 4.15Å; W130-P138 HydrophobicContact CG-CB 4.32Å; W130-P138 HydrophobicContact CG-CG 3.71Å
131S94.8Very high93.8Very high21 Ų2152.8 Ų52.815%0.14728%0.279CS..EExtended strand (participates in β ladder)trans-76.2139.9175.8-178.90000110.6K100 N117 E133K100-S131 PolarHBondContact NZ-O 2.78Å; N117-S131 CarbonylContact O-C 3.59Å; N117-S131 VanDerWaalsContact O-CA 3.32Å; N117-S131 WeakPolarHBondContact O-CA 3.21Å; N117-S131 PolarHBondContact O-OG 3.27Å; S131-E133 PolarHBondContact OG-N 3.48Å; S131-E133 VanDerWaalsContact OG-N 3.15Å
132M91.2Very high93.8Very high31 Ų3153.1 Ų53.115%0.15328%0.28CS..SBendtrans-76.7-12.9171.679.7-179.6-174.800112.5I90 K100 W113 V116 N117I90-M132 HydrophobicContact CD1-CB 3.9Å; I90-M132 HydrophobicContact CG2-CB 4.46Å; K100-M132 WeakPolarHBondContact CD-O 3.08Å; W113-M132 HydrophobicContact CH2-CB 4.18Å; W113-M132 HydrophobicContact CH2-SD 3.9Å; W113-M132 HydrophobicContact CZ3-CB 4.34Å; W113-M132 HydrophobicContact CZ3-SD 3.89Å; V116-M132 WeakPolarHBondContact O-CE 3.31Å; N117-M132 HydrophobicContact CB-CE 3.89Å; N117-M132 HydrophobicContact CB-CG 4.08Å; N117-M132 HydrophobicContact CB-SD 4.47Å; N117-M132 PolarHBondContact O-N 3.11Å
133E88.6Confident93.8Very high109 Ų10957.3 Ų57.351%0.50930%0.303SS..SBendtrans-91.2142.2-179.7-66.2171.1-154.400111.8K100 N117 S131 S136K100-E133 PolarHBondContact NZ-O 3.27Å; N117-E133 HydrophobicContact CB-CG 4.38Å; N117-E133 VanDerWaalsContact CB-OE1 3.3Å; N117-E133 WeakPolarHBondContact CB-OE1 3.24Å; N117-E133 PolarHBondContact ND2-OE1 2.78Å; S131-E133 PolarHBondContact OG-N 3.48Å; S131-E133 VanDerWaalsContact OG-N 3.15Å; E133-S136 PolarHBondContact O-OG 3.28Å; E133-S136 VanDerWaalsContact O-OG 3.05Å
134G86.1Confident93.9Very high57 Ų5758.7 Ų58.759%0.58831%0.308SS*.THydrogen-bonded Turntrans57.1-163.9-179.700000114.3K100 S136K100-G134 VanDerWaalsContact CD-O 3.29Å; K100-G134 WeakPolarHBondContact CD-O 3.42Å; K100-G134 WeakPolarHBondContact CE-O 3.23Å; K100-G134 PolarHBondContact NZ-O 2.96Å; G134-S136 VanDerWaalsContact C-N 3.29Å; G134-S136 PolarHBondContact O-N 3.41Å
135D85.9Confident94.1Very high160 Ų16054.6 Ų54.686%0.85629%0.289SS*.THydrogen-bonded Turntrans-92.218.8-179.3-65.6-40.9000113.9Q137D135-Q137 PolarHBondContact O-N 2.67Å
136S90.1Very high94.1Very high42 Ų4257 Ų5729%0.29430%0.304SS..PPolyproline II helixtrans-59.2130.7-179.4580000112.6K100 W130 E133 G134K100-S136 WeakPolarHBondContact CE-O 3.34Å; K100-S136 PolarHBondContact NZ-O 2.74Å; K100-S136 PolarHBondContact NZ-OG 3.19Å; W130-S136 PolarHBondContact NE1-O 3.48Å; E133-S136 PolarHBondContact O-OG 3.28Å; E133-S136 VanDerWaalsContact O-OG 3.05Å; G134-S136 VanDerWaalsContact C-N 3.29Å; G134-S136 PolarHBondContact O-N 3.41Å
137Q93.1Very high93.9Very high137 Ų13759.3 Ų59.364%0.6432%0.32SS*.PPolyproline II helixtrans-82.6161.8173-63.5-175.10.500110.7D135 M139D135-Q137 PolarHBondContact O-N 2.67Å; Q137-M139 PolarHBondContact O-N 2.75Å
138P95.6Very high93.7Very high19 Ų1959.3 Ų59.312%0.12332%0.32CS..PPolyproline II helixtrans-55.7119.9173.6-25.234.8000112.3H102 M104 L121 Y128 W130H102-P138 HydrophobicContact CB-CG 4.41Å; H102-P138 VanDerWaalsContact CD2-CG 3.44Å; H102-P138 WeakPolarHBondContact CD2-CG 3.41Å; M104-P138 HydrophobicContact SD-CB 4.3Å; M104-P138 HydrophobicContact SD-CG 4.09Å; L121-P138 HydrophobicContact CD1-CB 3.88Å; L121-P138 HydrophobicContact CD1-CG 3.87Å; Y128-P138 HydrophobicContact CD1-CB 4.41Å; W130-P138 HydrophobicContact CB-CB 4.1Å; W130-P138 HydrophobicContact CB-CG 3.99Å; W130-P138 HydrophobicContact CD2-CG 4.15Å; W130-P138 HydrophobicContact CG-CB 4.32Å; W130-P138 HydrophobicContact CG-CG 3.71Å
139M94.8Very high93.3Very high114 Ų11462.2 Ų62.256%0.56234%0.342SS*.EExtended strand (participates in β ladder)trans-93.2127179.6-67.2-177.2-70.300110.2Y128 H129 Q137 M141Y128-M139 CarbonylContact C-O 3.5Å; Y128-M139 WeakPolarHBondContact CA-O 3.46Å; H129-M139 PolarHBondContact N-O 2.96Å; H129-M139 PolarHBondContact O-N 2.91Å; Q137-M139 PolarHBondContact O-N 2.75Å; M139-M141 PolarHBondContact O-N 2.81Å
140K96.9Very high92.9Very high106 Ų10665.6 Ų65.646%0.46138%0.379SS..EExtended strand (participates in β ladder)trans-67.4126.8176-173.1177.6173.3-179.90110.1A126 Y128 D143A126-K140 HydrophobicContact CB-CD 4.27Å; A126-K140 HydrophobicContact CB-CG 4.28Å; Y128-K140 VanDerWaalsContact CD1-CA 3.46Å; Y128-K140 HydrophobicContact CD1-CB 3.75Å; Y128-K140 HydrophobicContact CD1-CG 4.37Å; Y128-K140 HydrophobicContact CE1-CB 3.59Å; Y128-K140 HydrophobicContact CE1-CD 4.45Å; Y128-K140 HydrophobicContact CE1-CG 4.01Å; K140-D143 WeakPolarHBondContact CE-OD1 3Å; K140-D143 VanDerWaalsContact NZ-CG 3.25Å; K140-D143 IonicContact NZ-OD1 2.73Å; K140-D143 PolarHBondContact NZ-OD1 3.4Å; K140-D143 IonicContact NZ-OD2 3.98Å; K140-D143 PolarHBondContact NZ-OD2 3.36Å; K140-D143 VanDerWaalsContact NZ-OD2 3.16Å
141M96.2Very high92.7Very high46 Ų4666 Ų6623%0.22738%0.383CS..EExtended strand (participates in β ladder)trans-95.2-51.3178.6-59.1-54.2-70.100111.6V127 H129 M139 L165 Y184 V186V127-M141 PolarHBondContact O-N 3.44Å; H129-M141 HydrophobicContact CB-CG 3.97Å; H129-M141 HydrophobicContact CB-SD 3.95Å; M139-M141 PolarHBondContact O-N 2.81Å; M141-L165 HydrophobicContact CB-CD1 3.8Å; M141-L165 HydrophobicContact CE-CD1 3.83Å; M141-L165 HydrophobicContact CG-CD1 4.22Å; M141-Y184 PolarHBondContact O-OH 2.78Å; M141-V186 HydrophobicContact CE-CG2 4.42Å
142F96.9Very high92.7Very high7 Ų770.7 Ų70.73%0.03140%0.402CS..EExtended strand (participates in β ladder)trans-160.3161178.761.7-87.9000112V127 Y156 L165 L167 Q182 Y184V127-F142 HydrophobicContact CB-CD1 4.28Å; V127-F142 HydrophobicContact CB-CE1 3.88Å; V127-F142 HydrophobicContact CB-CE2 4.19Å; V127-F142 HydrophobicContact CB-CZ 3.85Å; V127-F142 HydrophobicContact CG1-CE1 4.08Å; V127-F142 HydrophobicContact CG1-CZ 4.25Å; V127-F142 HydrophobicContact CG2-CD2 4.36Å; V127-F142 HydrophobicContact CG2-CE1 4.13Å; V127-F142 HydrophobicContact CG2-CE2 3.68Å; V127-F142 HydrophobicContact CG2-CZ 3.56Å; V127-F142 PolarHBondContact N-O 3Å; V127-F142 PolarHBondContact O-N 2.88Å; F142-Y156 HydrophobicContact CE1-CE2 4.01Å; F142-Y156 AromaticContact CZ-CE2 3.99Å; F142-Y156 HydrophobicContact CZ-CE2 3.99Å; F142-L165 HydrophobicContact CD1-CB 4.34Å; F142-L165 HydrophobicContact CD1-CD1 3.83Å; F142-L165 HydrophobicContact CE1-CB 3.68Å; F142-L165 HydrophobicContact CE1-CD1 3.81Å; F142-L165 HydrophobicContact CE1-CG 4.4Å; F142-L165 HydrophobicContact CZ-CB 4.48Å; F142-L167 HydrophobicContact CZ-CB 4.26Å; F142-Q182 VanDerWaalsContact CD2-NE2 3.28Å; F142-Q182 HydrophobicContact CE2-CG 4.17Å; F142-Y184 HydrophobicContact CB-CD1 3.99Å; F142-Y184 HydrophobicContact CB-CD2 3.7Å; F142-Y184 HydrophobicContact CB-CE1 3.96Å; F142-Y184 HydrophobicContact CB-CE2 3.66Å; F142-Y184 HydrophobicContact CB-CG 3.84Å; F142-Y184 AromaticContact CD1-CD1 3.61Å; F142-Y184 HydrophobicContact CD1-CD1 3.61Å; F142-Y184 HydrophobicContact CD1-CD2 4.48Å; F142-Y184 HydrophobicContact CD1-CE1 4.17Å; F142-Y184 AromaticContact CD1-CG 3.76Å; F142-Y184 HydrophobicContact CD1-CG 3.76Å; F142-Y184 HydrophobicContact CD2-CG 4.44Å; F142-Y184 HydrophobicContact CE1-CD1 4.37Å; F142-Y184 HydrophobicContact CE1-CG 4.43Å; F142-Y184 AromaticContact CG-CD1 3.99Å; F142-Y184 HydrophobicContact CG-CD1 3.99Å; F142-Y184 HydrophobicContact CG-CD2 4.06Å; F142-Y184 HydrophobicContact CG-CE1 4.42Å; F142-Y184 HydrophobicContact CG-CE2 4.48Å; F142-Y184 AromaticContact CG-CG 3.76Å; F142-Y184 HydrophobicContact CG-CG 3.76Å
143D96.4Very high92.8Very high88 Ų8869.7 Ų69.747%0.47140%0.398SS..EExtended strand (participates in β ladder)trans-82.3140.6173.5-72.1-61.7000111.8K140 H145 Q182K140-D143 WeakPolarHBondContact CE-OD1 3Å; K140-D143 VanDerWaalsContact NZ-CG 3.25Å; K140-D143 IonicContact NZ-OD1 2.73Å; K140-D143 PolarHBondContact NZ-OD1 3.4Å; K140-D143 IonicContact NZ-OD2 3.98Å; K140-D143 PolarHBondContact NZ-OD2 3.36Å; K140-D143 VanDerWaalsContact NZ-OD2 3.16Å; D143-H145 PolarHBondContact O-N 3.39Å; D143-Q182 PolarHBondContact O-NE2 3.31Å
144R95.8Very high93Very high30 Ų3066.1 Ų66.111%0.11338%0.382CS..PPolyproline II helixtrans-65.5129.5176.5-73.9-178.160.4-175.1-1.2110.1T123 E124 T125 V127 L148 L167T123-R144 WeakPolarHBondContact O-CD 3.47Å; T123-R144 PolarHBondContact O-NH1 2.75Å; E124-R144 WeakPolarHBondContact O-CD 3.42Å; E124-R144 PolarHBondContact O-NH1 3.1Å; T125-R144 WeakPolarHBondContact O-CB 3.26Å; T125-R144 PolarHBondContact O-N 3.08Å; V127-R144 HydrophobicContact CG2-CG 4.35Å; R144-L148 PolarHBondContact NH2-O 2.87Å; R144-L167 HydrophobicContact CG-CD2 3.86Å
145H95.8Very high93.4Very high58 Ų5865.2 Ų65.227%0.26936%0.362SS..PPolyproline II helixtrans-69.6147.9179.1-169.5-91.9000110.7D143 S147 L148 Q182D143-H145 PolarHBondContact O-N 3.39Å; H145-S147 WeakPolarHBondContact ND1-CB 3.34Å; H145-S147 PolarHBondContact ND1-N 2.8Å; H145-S147 PolarHBondContact ND1-OG 3.41Å; H145-S147 PolarHBondContact O-N 3Å; H145-S147 VanDerWaalsContact O-N 3.09Å; H145-L148 PolarHBondContact O-N 3.06Å; H145-Q182 HydrophobicContact CB-CB 4.48Å; H145-Q182 HydrophobicContact CB-CG 4.06Å
146T93.1Very high93.9Very high114 Ų11457.7 Ų57.770%0.69932%0.322SS*.G310 helixtrans-56.7-29.5-177.552.70000113.3L148 V149T146-L148 PolarHBondContact O-N 3.48Å; T146-V149 WeakPolarHBondContact O-CB 3.37Å; T146-V149 WeakPolarHBondContact O-CG2 3.4Å; T146-V149 PolarHBondContact O-N 2.93Å
147S92.1Very high94.1Very high49 Ų4957.3 Ų57.334%0.34331%0.314SS..G310 helixtrans-66.1-16175.962.10000114.6H145H145-S147 WeakPolarHBondContact ND1-CB 3.34Å; H145-S147 PolarHBondContact ND1-N 2.8Å; H145-S147 PolarHBondContact ND1-OG 3.41Å; H145-S147 PolarHBondContact O-N 3Å; H145-S147 VanDerWaalsContact O-N 3.09Å
148L92.9Very high94.3Very high0 Ų052 Ų520%029%0.291CS..G310 helixtrans-101.73177.7-82.676.5000112.7R144 H145 T146 C151 L167 A180 Q182R144-L148 PolarHBondContact NH2-O 2.87Å; H145-L148 PolarHBondContact O-N 3.06Å; T146-L148 PolarHBondContact O-N 3.48Å; L148-C151 WeakPolarHBondContact O-CB 3.49Å; L148-C151 PolarHBondContact O-N 3.38Å; L148-L167 HydrophobicContact CD2-CB 4.08Å; L148-L167 HydrophobicContact CD2-CD2 3.56Å; L148-L167 HydrophobicContact CD2-CG 3.59Å; L148-A180 HydrophobicContact CD1-CB 4.13Å; L148-A180 HydrophobicContact CG-CB 4.28Å; L148-Q182 HydrophobicContact CD1-CB 3.94Å; L148-Q182 HydrophobicContact CD2-CB 4.2Å
149V90.1Very high94.2Very high108 Ų10851.4 Ų51.466%0.65529%0.287SS*.THydrogen-bonded Turntrans-66.2133.7175.4176.60000109.1T146 C151T146-V149 WeakPolarHBondContact O-CB 3.37Å; T146-V149 WeakPolarHBondContact O-CG2 3.4Å; T146-V149 PolarHBondContact O-N 2.93Å; V149-C151 PolarHBondContact O-N 3.46Å
150G87.6Confident94Very high79 Ų7953 Ų5381%0.81429%0.293SS*.THydrogen-bonded Turntrans70.41.9-176.600000115.4
151C92.9Very high93.6Very high12 Ų1254.8 Ų54.88%0.08130%0.298CS..  trans-82.4140.4174.3-66.90000111.3L148 V149 V153L148-C151 WeakPolarHBondContact O-CB 3.49Å; L148-C151 PolarHBondContact O-N 3.38Å; V149-C151 PolarHBondContact O-N 3.46Å; C151-V153 PolarHBondContact O-N 2.91Å
152Q93.6Very high93.5Very high119 Ų11955.6 Ų55.656%0.55630%0.301SS*.EExtended strand (participates in β ladder)trans-73.2114.4167.3-177.6179.99.700108.7I154 G169 I170Q152-I154 PolarHBondContact O-N 3.31Å; Q152-G169 CarbonylContact O-C 3.55Å; Q152-G169 WeakPolarHBondContact O-CA 3.43Å; Q152-I170 HydrophobicContact CB-CG1 4.35Å; Q152-I170 PolarHBondContact N-O 3.02Å; Q152-I170 PolarHBondContact O-N 3.43Å
153V95Very high93.4Very high10 Ų1059.2 Ų59.26%0.06132%0.316CS..EExtended strand (participates in β ladder)trans-69.3125.2175.9179.90000109.2I109 F110 V122 C151 L167I109-V153 HydrophobicContact CD1-CB 4.45Å; I109-V153 HydrophobicContact CD1-CG2 3.73Å; F110-V153 HydrophobicContact CB-CB 3.81Å; F110-V153 HydrophobicContact CB-CG1 3.6Å; F110-V153 HydrophobicContact CD1-CG1 3.66Å; F110-V153 HydrophobicContact CD2-CG1 4.05Å; F110-V153 HydrophobicContact CE1-CG1 4.37Å; F110-V153 HydrophobicContact CG-CB 4.13Å; F110-V153 HydrophobicContact CG-CG1 3.48Å; F110-V153 VanDerWaalsContact CG-CG1 3.48Å; V122-V153 HydrophobicContact CG1-CG2 4.22Å; C151-V153 PolarHBondContact O-N 2.91Å; V153-L167 HydrophobicContact CG1-CD1 3.59Å; V153-L167 HydrophobicContact CG2-CD1 4.41Å
154I92.8Very high93.4Very high34 Ų3456.7 Ų56.717%0.17430%0.3CS..EExtended strand (participates in β ladder)trans-110.5-27.3-178.953.9162.8000112.8Q152 V168 I170Q152-I154 PolarHBondContact O-N 3.31Å; I154-V168 HydrophobicContact CD1-CG1 3.79Å; I154-V168 HydrophobicContact CG1-CB 4.21Å; I154-V168 HydrophobicContact CG1-CG1 3.79Å; I154-V168 WeakPolarHBondContact CG1-O 3.26Å; I154-V168 PolarHBondContact N-O 3.05Å; I154-I170 HydrophobicContact CD1-CG2 3.7Å; I154-I170 HydrophobicContact CG1-CG2 4.31Å; I154-I170 HydrophobicContact CG2-CD1 3.68Å; I154-I170 HydrophobicContact CG2-CG1 3.69Å
155H93.7Very high93.4Very high37 Ų3755.2 Ų55.217%0.17130%0.295CS..EExtended strand (participates in β ladder)trans-157.3150.6-177-148.3-59.8000111.9R157 V168H155-R157 WeakPolarHBondContact CE1-CG 3.34Å; H155-R157 PolarHBondContact CE1-NE 2.95Å; H155-R157 VanDerWaalsContact ND1-CG 3.34Å; H155-R157 WeakPolarHBondContact ND1-CG 3.31Å; H155-R157 PolarHBondContact NE2-NE 3.37Å; H155-R157 PolarHBondContact NE2-NH2 3.03Å; H155-V168 HydrophobicContact CB-CB 4.26Å; H155-V168 PolarHBondContact N-O 3.29Å; H155-V168 PolarHBondContact O-N 3.48Å
156Y96.4Very high93.5Very high2 Ų252.5 Ų52.51%0.00828%0.282CS..EExtended strand (participates in β ladder)trans-128.9136.9165.4-178.7-96.6000109.4V114 A120 V127 H129 F142 T158 L165 L166 L167V114-Y156 HydrophobicContact CG1-CD1 3.54Å; V114-Y156 HydrophobicContact CG1-CE1 3.55Å; A120-Y156 HydrophobicContact CB-CD1 3.38Å; A120-Y156 HydrophobicContact CB-CE1 3.52Å; A120-Y156 HydrophobicContact CB-CG 4.16Å; V127-Y156 HydrophobicContact CG1-CD2 4.21Å; V127-Y156 HydrophobicContact CG1-CE2 3.63Å; H129-Y156 AromaticContact NE2-CE1 3.55Å; H129-Y156 AromaticContact NE2-CZ 3.57Å; H129-Y156 PolarHBondContact NE2-OH 2.93Å; F142-Y156 HydrophobicContact CE1-CE2 4.01Å; F142-Y156 AromaticContact CZ-CE2 3.99Å; F142-Y156 HydrophobicContact CZ-CE2 3.99Å; Y156-T158 HydrophobicContact CE1-CG2 3.68Å; Y156-L165 HydrophobicContact CE2-CB 4.42Å; Y156-L165 WeakPolarHBondContact OH-CB 3.23Å; Y156-L165 WeakPolarHBondContact OH-CD1 3.39Å; Y156-L165 WeakPolarHBondContact OH-CD2 3.25Å; Y156-L166 CarbonylContact C-O 3.56Å; Y156-L166 VanDerWaalsContact CA-O 3.31Å; Y156-L166 WeakPolarHBondContact CA-O 3.39Å; Y156-L166 VanDerWaalsContact CD2-O 3.25Å; Y156-L166 WeakPolarHBondContact CD2-O 3.42Å; Y156-L167 HydrophobicContact CD2-CB 4.23Å; Y156-L167 HydrophobicContact CD2-CD1 4Å
157R95.2Very high93.7Very high34 Ų3447 Ų4713%0.12825%0.249CC..EExtended strand (participates in β ladder)trans-138.2156.5179.4-69.3-162.2177.6-143.80.4111.7H155 L166 A199 F201 M264 Q265H155-R157 WeakPolarHBondContact CE1-CG 3.34Å; H155-R157 PolarHBondContact CE1-NE 2.95Å; H155-R157 VanDerWaalsContact ND1-CG 3.34Å; H155-R157 WeakPolarHBondContact ND1-CG 3.31Å; H155-R157 PolarHBondContact NE2-NE 3.37Å; H155-R157 PolarHBondContact NE2-NH2 3.03Å; R157-L166 HydrophobicContact CB-CB 4.43Å; R157-L166 PolarHBondContact N-O 2.87Å; R157-L166 PolarHBondContact O-N 3.16Å; R157-A199 VanDerWaalsContact CD-O 3.29Å; R157-A199 WeakPolarHBondContact CD-O 3.41Å; R157-A199 PolarHBondContact NE-O 2.6Å; R157-F201 HydrophobicContact CB-CD2 4.37Å; R157-F201 HydrophobicContact CB-CE2 4.34Å; R157-M264 VanDerWaalsContact CZ-O 3.27Å; R157-M264 PolarHBondContact NH1-O 2.84Å; R157-M264 PolarHBondContact NH2-O 3.43Å; R157-Q265 VanDerWaalsContact NH2-CD 3.34Å
158T95.9Very high93.9Very high27 Ų2744.9 Ų44.917%0.16623%0.234CC..EExtended strand (participates in β ladder)trans-129.3160.2170.168.10000109.6V114 Y156 W164 L165 F201V114-T158 HydrophobicContact CB-CG2 4.27Å; V114-T158 HydrophobicContact CG1-CG2 4.17Å; Y156-T158 HydrophobicContact CE1-CG2 3.68Å; T158-W164 VanDerWaalsContact CA-O 3.27Å; T158-W164 WeakPolarHBondContact CA-O 3.3Å; T158-L165 HydrophobicContact CG2-CD2 3.48Å; T158-L165 VanDerWaalsContact CG2-CD2 3.48Å; T158-F201 WeakPolarHBondContact O-CD2 3.48Å
159D94.4Very high94Very high6 Ų644.9 Ų44.93%0.03223%0.234CC..  trans-70.2174.4159.770.2-48.5000110.8Y161 Q162 K163 W164 F201 T214D159-Y161 VanDerWaalsContact C-N 3.26Å; D159-Y161 PolarHBondContact O-N 3.37Å; D159-Y161 PolarHBondContact OD2-N 3.21Å; D159-Q162 PolarHBondContact O-N 2.95Å; D159-Q162 VanDerWaalsContact OD1-C 3.27Å; D159-Q162 WeakPolarHBondContact OD1-CA 3.29Å; D159-Q162 PolarHBondContact OD1-N 3.4Å; D159-Q162 VanDerWaalsContact OD1-N 3.08Å; D159-K163 PolarHBondContact OD1-N 3Å; D159-K163 PolarHBondContact OD2-N 3.43Å; D159-W164 HydrophobicContact CB-CB 4.29Å; D159-W164 PolarHBondContact N-O 3.49Å; D159-W164 VanDerWaalsContact N-O 3.14Å; D159-W164 PolarHBondContact OD1-N 2.92Å; D159-F201 HydrophobicContact CB-CB 4.22Å; D159-F201 HydrophobicContact CB-CD1 4.23Å; D159-F201 HydrophobicContact CB-CG 4.08Å; D159-T214 HydrophobicContact CB-CG2 4.06Å
160E89.6Confident94.2Very high148 Ų14841 Ų4169%0.69221%0.209SC*.THydrogen-bonded Turntrans-62.2-34.3-178.7-171.7169.7172.100112.3
161Y90.1Very high94.5Very high143 Ų14338.5 Ų38.556%0.56118%0.179SC*.THydrogen-bonded Turntrans-92.21.4-179.5-53.6-68.7000113.9D159 K163D159-Y161 VanDerWaalsContact C-N 3.26Å; D159-Y161 PolarHBondContact O-N 3.37Å; D159-Y161 PolarHBondContact OD2-N 3.21Å; Y161-K163 PolarHBondContact O-N 3.46Å
162Q92.6Very high94.5Very high62 Ų6242.4 Ų42.429%0.2921%0.212SC..SBendtrans53.530.9-176.2-53.2-179.48.800113.8D159D159-Q162 PolarHBondContact O-N 2.95Å; D159-Q162 VanDerWaalsContact OD1-C 3.27Å; D159-Q162 WeakPolarHBondContact OD1-CA 3.29Å; D159-Q162 PolarHBondContact OD1-N 3.4Å; D159-Q162 VanDerWaalsContact OD1-N 3.08Å
163K94.4Very high94.1Very high83 Ų8341.7 Ų41.736%0.36121%0.208SC..  trans-88.9-23.6174.6-65.8-56.1-164.7166.20113D159 Y161 V186 D187D159-K163 PolarHBondContact OD1-N 3Å; D159-K163 PolarHBondContact OD2-N 3.43Å; Y161-K163 PolarHBondContact O-N 3.46Å; K163-V186 WeakPolarHBondContact O-CB 3.2Å; K163-V186 WeakPolarHBondContact O-CG2 3.22Å; K163-V186 PolarHBondContact O-N 2.57Å; K163-D187 WeakPolarHBondContact CD-OD1 3.35Å; K163-D187 WeakPolarHBondContact CE-OD1 3.5Å; K163-D187 IonicContact NZ-OD1 3.55Å; K163-D187 PolarHBondContact NZ-OD1 3.3Å; K163-D187 IonicContact NZ-OD2 3.8Å
164W96.4Very high93.5Very high35 Ų3550.6 Ų50.613%0.13325%0.25CC..EExtended strand (participates in β ladder)trans-120.5122.8177.6-68.595.7000109.6T158 D159 L183 Y184 F201 V233 G234T158-W164 VanDerWaalsContact CA-O 3.27Å; T158-W164 WeakPolarHBondContact CA-O 3.3Å; D159-W164 HydrophobicContact CB-CB 4.29Å; D159-W164 PolarHBondContact N-O 3.49Å; D159-W164 VanDerWaalsContact N-O 3.14Å; D159-W164 PolarHBondContact OD1-N 2.92Å; W164-L183 HydrophobicContact CE3-CD1 3.9Å; W164-L183 HydrophobicContact CE3-CD2 4.19Å; W164-L183 HydrophobicContact CE3-CG 3.91Å; W164-L183 HydrophobicContact CZ3-CD2 4.14Å; W164-L183 HydrophobicContact CZ3-CG 4.13Å; W164-Y184 WeakPolarHBondContact CA-O 3.34Å; W164-F201 HydrophobicContact CB-CE1 3.75Å; W164-F201 HydrophobicContact CB-CZ 3.82Å; W164-F201 HydrophobicContact CG-CE1 4.49Å; W164-V233 HydrophobicContact CD2-CB 3.99Å; W164-V233 HydrophobicContact CD2-CG2 4.08Å; W164-V233 HydrophobicContact CE3-CB 4.39Å; W164-V233 HydrophobicContact CG-CB 4.47Å; W164-V233 HydrophobicContact CG-CG2 4.03Å; W164-V233 HydrophobicContact CH2-CB 4.27Å; W164-V233 HydrophobicContact CZ2-CB 3.88Å; W164-G234 VanDerWaalsContact CZ2-N 3.34Å
165L97.4Very high93Very high0 Ų057 Ų570%028%0.284CS..EExtended strand (participates in β ladder)trans-116.5134.4-176.5-51.4-177000108.8M141 F142 Y156 T158 L183 Y184 V186M141-L165 HydrophobicContact CB-CD1 3.8Å; M141-L165 HydrophobicContact CE-CD1 3.83Å; M141-L165 HydrophobicContact CG-CD1 4.22Å; F142-L165 HydrophobicContact CD1-CB 4.34Å; F142-L165 HydrophobicContact CD1-CD1 3.83Å; F142-L165 HydrophobicContact CE1-CB 3.68Å; F142-L165 HydrophobicContact CE1-CD1 3.81Å; F142-L165 HydrophobicContact CE1-CG 4.4Å; F142-L165 HydrophobicContact CZ-CB 4.48Å; Y156-L165 HydrophobicContact CE2-CB 4.42Å; Y156-L165 WeakPolarHBondContact OH-CB 3.23Å; Y156-L165 WeakPolarHBondContact OH-CD1 3.39Å; Y156-L165 WeakPolarHBondContact OH-CD2 3.25Å; T158-L165 HydrophobicContact CG2-CD2 3.48Å; T158-L165 VanDerWaalsContact CG2-CD2 3.48Å; L165-L183 CarbonylContact O-C 3.55Å; L165-Y184 HydrophobicContact CB-CD1 4.32Å; L165-Y184 HydrophobicContact CD1-CD1 3.87Å; L165-Y184 HydrophobicContact CD1-CE1 4.36Å; L165-Y184 HydrophobicContact CG-CD1 4.23Å; L165-Y184 PolarHBondContact N-O 3.46Å; L165-Y184 PolarHBondContact O-N 3.46Å; L165-V186 HydrophobicContact CD1-CG2 3.75Å; L165-V186 HydrophobicContact CD2-CG2 4.33Å; L165-V186 HydrophobicContact CG-CG2 3.82Å
166L97.7Very high92.6Very high0 Ų058.5 Ų58.50%029%0.288CS..EExtended strand (participates in β ladder)trans-128.1120.9-177.6-175.480.5000110.5Y156 R157 V168 M181 Q182 L183 A199 F201 F216Y156-L166 CarbonylContact C-O 3.56Å; Y156-L166 VanDerWaalsContact CA-O 3.31Å; Y156-L166 WeakPolarHBondContact CA-O 3.39Å; Y156-L166 VanDerWaalsContact CD2-O 3.25Å; Y156-L166 WeakPolarHBondContact CD2-O 3.42Å; R157-L166 HydrophobicContact CB-CB 4.43Å; R157-L166 PolarHBondContact N-O 2.87Å; R157-L166 PolarHBondContact O-N 3.16Å; L166-V168 HydrophobicContact CD2-CG2 3.72Å; L166-V168 HydrophobicContact CG-CG2 3.97Å; L166-M181 HydrophobicContact CD1-CB 4.07Å; L166-M181 HydrophobicContact CD1-SD 4.41Å; L166-M181 HydrophobicContact CD2-SD 4.41Å; L166-Q182 WeakPolarHBondContact CA-O 3.43Å; L166-L183 HydrophobicContact CD1-CB 4.06Å; L166-L183 HydrophobicContact CD1-CD1 4.1Å; L166-A199 HydrophobicContact CD2-CB 3.5Å; L166-A199 VanDerWaalsContact CD2-CB 3.5Å; L166-F201 HydrophobicContact CB-CE2 3.84Å; L166-F201 HydrophobicContact CB-CZ 4.08Å; L166-F216 HydrophobicContact CD1-CE2 3.8Å; L166-F216 HydrophobicContact CD1-CZ 3.7Å; L166-F216 HydrophobicContact CD2-CE2 3.72Å; L166-F216 HydrophobicContact CD2-CZ 4.25Å; L166-F216 HydrophobicContact CG-CE2 4.32Å
167L97.4Very high92.3Very high0 Ų060.3 Ų60.30%030%0.299CS..EExtended strand (participates in β ladder)trans-104.5132.6168.6-175.764.5000109.7V122 V127 F142 R144 L148 V153 Y156 M181 Q182V122-L167 HydrophobicContact CG1-CD1 4.03Å; V122-L167 HydrophobicContact CG1-CD2 4.14Å; V122-L167 HydrophobicContact CG2-CD1 3.83Å; V127-L167 HydrophobicContact CG2-CD2 3.92Å; F142-L167 HydrophobicContact CZ-CB 4.26Å; R144-L167 HydrophobicContact CG-CD2 3.86Å; L148-L167 HydrophobicContact CD2-CB 4.08Å; L148-L167 HydrophobicContact CD2-CD2 3.56Å; L148-L167 HydrophobicContact CD2-CG 3.59Å; V153-L167 HydrophobicContact CG1-CD1 3.59Å; V153-L167 HydrophobicContact CG2-CD1 4.41Å; Y156-L167 HydrophobicContact CD2-CB 4.23Å; Y156-L167 HydrophobicContact CD2-CD1 4Å; L167-M181 CarbonylContact O-C 3.6Å; L167-M181 WeakPolarHBondContact O-CA 3.42Å; L167-Q182 HydrophobicContact CB-CB 4.41Å; L167-Q182 PolarHBondContact N-O 3.39Å; L167-Q182 PolarHBondContact O-N 3.28Å
168V96.4Very high92.2Very high4 Ų459.9 Ų59.92%0.02430%0.3CS..EExtended strand (participates in β ladder)trans-123.2123.8-179.2-1740000109.6I154 H155 L166 M181I154-V168 HydrophobicContact CD1-CG1 3.79Å; I154-V168 HydrophobicContact CG1-CB 4.21Å; I154-V168 HydrophobicContact CG1-CG1 3.79Å; I154-V168 WeakPolarHBondContact CG1-O 3.26Å; I154-V168 PolarHBondContact N-O 3.05Å; H155-V168 HydrophobicContact CB-CB 4.26Å; H155-V168 PolarHBondContact N-O 3.29Å; H155-V168 PolarHBondContact O-N 3.48Å; L166-V168 HydrophobicContact CD2-CG2 3.72Å; L166-V168 HydrophobicContact CG-CG2 3.97Å; V168-M181 HydrophobicContact CB-CG 4.36Å; V168-M181 HydrophobicContact CG1-CG 4.02Å; V168-M181 HydrophobicContact CG2-CG 3.95Å; V168-M181 HydrophobicContact CG2-SD 4.11Å
169G95.1Very high92.1Very high0 Ų058.6 Ų58.60%029%0.292CS..EExtended strand (participates in β ladder)trans-126.5158.3172.800000112Q152 A180Q152-G169 CarbonylContact O-C 3.55Å; Q152-G169 WeakPolarHBondContact O-CA 3.43Å; G169-A180 PolarHBondContact N-O 3.12Å; G169-A180 PolarHBondContact O-N 2.8Å; G169-A180 VanDerWaalsContact O-O 3.14Å
170I94.1Very high92.1Very high27 Ų2759 Ų5914%0.13830%0.296CS..EExtended strand (participates in β ladder)trans-126.5148.5174.259.3174.8000110.7Q152 I154 V177 V178Q152-I170 HydrophobicContact CB-CG1 4.35Å; Q152-I170 PolarHBondContact N-O 3.02Å; Q152-I170 PolarHBondContact O-N 3.43Å; I154-I170 HydrophobicContact CD1-CG2 3.7Å; I154-I170 HydrophobicContact CG1-CG2 4.31Å; I154-I170 HydrophobicContact CG2-CD1 3.68Å; I154-I170 HydrophobicContact CG2-CG1 3.69Å; I170-V177 HydrophobicContact CB-CG1 3.68Å; I170-V177 HydrophobicContact CD1-CG1 3.99Å; I170-V177 HydrophobicContact CG1-CG1 4.32Å; I170-V177 HydrophobicContact CG2-CG1 3.95Å; I170-V178 CarbonylContact C-O 3.58Å; I170-V178 VanDerWaalsContact CA-O 3.3Å; I170-V178 WeakPolarHBondContact CA-O 3.46Å
171S93.5Very high92.5Very high25 Ų2551.9 Ų51.918%0.17526%0.263CS..EExtended strand (participates in β ladder)trans-137.7151.4172.161.40000110.4Q173 V177 V178S171-Q173 PolarHBondContact OG-NE2 3.24Å; S171-V177 WeakPolarHBondContact O-CA 3.28Å; S171-V178 PolarHBondContact N-O 3.45Å; S171-V178 PolarHBondContact O-N 2.77Å
172A91.7Very high92.8Very high94 Ų9445.1 Ų45.178%0.77724%0.237SC*.EExtended strand (participates in β ladder)trans-86.1114.3173.700000109.1R176A172-R176 CarbonylContact C-O 3.57Å; A172-R176 WeakPolarHBondContact CA-O 3.44Å
173Q86.3Confident93.1Very high104 Ų10442.4 Ų42.449%0.48622%0.224SC..EExtended strand (participates in β ladder)trans-130.1128.8176.1-58.6-175.6-0.200109S171 N175 R176 V178S171-Q173 PolarHBondContact OG-NE2 3.24Å; Q173-N175 PolarHBondContact O-N 3.15Å; Q173-R176 PolarHBondContact N-O 3.3Å; Q173-R176 WeakPolarHBondContact O-CB 3.46Å; Q173-R176 PolarHBondContact O-N 3Å; Q173-V178 HydrophobicContact CB-CG2 3.86Å; Q173-V178 HydrophobicContact CG-CB 4.48Å; Q173-V178 HydrophobicContact CG-CG2 4.2Å
174Q81.6Confident93.2Very high198 Ų19839.6 Ų39.693%0.92521%0.212SC*.THydrogen-bonded Turntrans49.550.1175.8-58.3179.7-7.800113.7R176Q174-R176 PolarHBondContact O-N 3.44Å; Q174-R176 VanDerWaalsContact O-N 3.15Å
175N82.3Confident93.2Very high168 Ų16838.1 Ų38.190%0.89821%0.207SC*.THydrogen-bonded Turntrans60.316.4-177.4-64.3-24.9000115.7Q173Q173-N175 PolarHBondContact O-N 3.15Å
176R85.6Confident93.1Very high69 Ų6940 Ų4026%0.2622%0.218SC..EExtended strand (participates in β ladder)trans-125.5150.6176.9-171.2-164.1-176.212115.1110.6A172 Q173 Q174 R221 N222 P223A172-R176 CarbonylContact C-O 3.57Å; A172-R176 WeakPolarHBondContact CA-O 3.44Å; Q173-R176 PolarHBondContact N-O 3.3Å; Q173-R176 WeakPolarHBondContact O-CB 3.46Å; Q173-R176 PolarHBondContact O-N 3Å; Q174-R176 PolarHBondContact O-N 3.44Å; Q174-R176 VanDerWaalsContact O-N 3.15Å; R176-R221 PolarHBondContact NE-O 3.11Å; R176-R221 VanDerWaalsContact NH2-CG 3.27Å; R176-R221 PolarHBondContact NH2-O 2.86Å; R176-N222 PolarHBondContact NH1-O 2.68Å; R176-N222 VanDerWaalsContact NH1-O 3.13Å; R176-N222 VanDerWaalsContact NH2-CA 3.34Å; R176-N222 VanDerWaalsContact NH2-N 3.14Å; R176-N222 PolarHBondContact NH2-O 3.07Å; R176-P223 VanDerWaalsContact NH1-CA 3.27Å
177V91.5Very high92.9Very high39 Ų3944.9 Ų44.924%0.23624%0.244CC..EExtended strand (participates in β ladder)trans-83.3115.2167-175.80000108.9I170 S171 H197 F260I170-V177 HydrophobicContact CB-CG1 3.68Å; I170-V177 HydrophobicContact CD1-CG1 3.99Å; I170-V177 HydrophobicContact CG1-CG1 4.32Å; I170-V177 HydrophobicContact CG2-CG1 3.95Å; S171-V177 WeakPolarHBondContact O-CA 3.28Å; V177-H197 PolarHBondContact O-NE2 3.23Å; V177-F260 HydrophobicContact CB-CD1 4.24Å; V177-F260 HydrophobicContact CB-CE1 3.93Å; V177-F260 HydrophobicContact CB-CE2 4.38Å; V177-F260 HydrophobicContact CB-CZ 4.01Å; V177-F260 HydrophobicContact CG1-CE1 4.42Å; V177-F260 HydrophobicContact CG1-CE2 4.06Å; V177-F260 HydrophobicContact CG1-CZ 3.99Å; V177-F260 HydrophobicContact CG2-CD1 4.37Å; V177-F260 HydrophobicContact CG2-CE1 3.67Å; V177-F260 HydrophobicContact CG2-CZ 3.86Å
178V92.3Very high92.7Very high25 Ų2551.6 Ų51.615%0.15227%0.269CS..EExtended strand (participates in β ladder)trans-96.6129.9173.2178.40000108.4I170 S171 Q173 E195I170-V178 CarbonylContact C-O 3.58Å; I170-V178 VanDerWaalsContact CA-O 3.3Å; I170-V178 WeakPolarHBondContact CA-O 3.46Å; S171-V178 PolarHBondContact N-O 3.45Å; S171-V178 PolarHBondContact O-N 2.77Å; Q173-V178 HydrophobicContact CB-CG2 3.86Å; Q173-V178 HydrophobicContact CG-CB 4.48Å; Q173-V178 HydrophobicContact CG-CG2 4.2Å; V178-E195 HydrophobicContact CG1-CG 4.44Å
179G93.4Very high92.6Very high0 Ų059.2 Ų59.20%030%0.302CS..EExtended strand (participates in β ladder)trans-98.1124.7177.900000111.2E195 G196G179-E195 CarbonylContact O-C 3.57Å; G179-E195 WeakPolarHBondContact O-CA 3.24Å; G179-E195 WeakPolarHBondContact O-CG 3.31Å; G179-G196 CarbonylContact C-O 3.52Å; G179-G196 WeakPolarHBondContact CA-O 3.32Å; G179-G196 PolarHBondContact O-N 3.32Å
180A95.7Very high92.5Very high14 Ų1463.3 Ų63.312%0.11633%0.327CS..EExtended strand (participates in β ladder)trans-115.5123.2177.300000109.5L148 G169L148-A180 HydrophobicContact CD1-CB 4.13Å; L148-A180 HydrophobicContact CG-CB 4.28Å; G169-A180 PolarHBondContact N-O 3.12Å; G169-A180 PolarHBondContact O-N 2.8Å; G169-A180 VanDerWaalsContact O-O 3.14Å
181M96.8Very high92.6Very high0 Ų064.1 Ų64.10%034%0.335CS..EExtended strand (participates in β ladder)trans-116.6147.4177.9-54.2-173.2-56.900111L166 L167 V168 P193 I194 G196 A199 F216 F218L166-M181 HydrophobicContact CD1-CB 4.07Å; L166-M181 HydrophobicContact CD1-SD 4.41Å; L166-M181 HydrophobicContact CD2-SD 4.41Å; L167-M181 CarbonylContact O-C 3.6Å; L167-M181 WeakPolarHBondContact O-CA 3.42Å; V168-M181 HydrophobicContact CB-CG 4.36Å; V168-M181 HydrophobicContact CG1-CG 4.02Å; V168-M181 HydrophobicContact CG2-CG 3.95Å; V168-M181 HydrophobicContact CG2-SD 4.11Å; M181-P193 CarbonylContact O-C 3.55Å; M181-P193 WeakPolarHBondContact O-CA 3.31Å; M181-I194 WeakPolarHBondContact CA-O 3.47Å; M181-I194 HydrophobicContact CB-CB 4.35Å; M181-I194 WeakPolarHBondContact CB-O 2.94Å; M181-I194 HydrophobicContact CE-CB 3.84Å; M181-I194 HydrophobicContact CE-CG2 3.51Å; M181-I194 PolarHBondContact N-O 3.09Å; M181-I194 PolarHBondContact O-N 2.85Å; M181-G196 WeakPolarHBondContact CG-O 3.18Å; M181-A199 HydrophobicContact SD-CB 3.87Å; M181-F216 HydrophobicContact CE-CZ 3.97Å; M181-F218 HydrophobicContact CE-CB 3.73Å; M181-F218 HydrophobicContact CE-CD1 4.47Å; M181-F218 HydrophobicContact CE-CD2 3.64Å; M181-F218 HydrophobicContact CE-CE2 4.32Å; M181-F218 HydrophobicContact CE-CG 3.71Å; M181-F218 HydrophobicContact SD-CB 4.29Å
182Q97.2Very high92.6Very high1 Ų168.5 Ų68.51%0.00535%0.353CS..EExtended strand (participates in β ladder)trans-120.2110.7170.2177.5178.60.500108.2F142 D143 H145 L148 L166 L167 S191F142-Q182 VanDerWaalsContact CD2-NE2 3.28Å; F142-Q182 HydrophobicContact CE2-CG 4.17Å; D143-Q182 PolarHBondContact O-NE2 3.31Å; H145-Q182 HydrophobicContact CB-CB 4.48Å; H145-Q182 HydrophobicContact CB-CG 4.06Å; L148-Q182 HydrophobicContact CD1-CB 3.94Å; L148-Q182 HydrophobicContact CD2-CB 4.2Å; L166-Q182 WeakPolarHBondContact CA-O 3.43Å; L167-Q182 HydrophobicContact CB-CB 4.41Å; L167-Q182 PolarHBondContact N-O 3.39Å; L167-Q182 PolarHBondContact O-N 3.28Å; Q182-S191 PolarHBondContact NE2-OG 2.93Å
183L97.5Very high92.8Very high4 Ų467 Ų672%0.02134%0.335CS..EExtended strand (participates in β ladder)trans-94.8114.5173.5-179.966.4000108.9W164 L165 L166 S191 Q192 I194 F201 F216 V233W164-L183 HydrophobicContact CE3-CD1 3.9Å; W164-L183 HydrophobicContact CE3-CD2 4.19Å; W164-L183 HydrophobicContact CE3-CG 3.91Å; W164-L183 HydrophobicContact CZ3-CD2 4.14Å; W164-L183 HydrophobicContact CZ3-CG 4.13Å; L165-L183 CarbonylContact O-C 3.55Å; L166-L183 HydrophobicContact CD1-CB 4.06Å; L166-L183 HydrophobicContact CD1-CD1 4.1Å; L183-S191 CarbonylContact O-C 3.52Å; L183-S191 WeakPolarHBondContact O-CA 3.24Å; L183-Q192 PolarHBondContact N-O 2.82Å; L183-Q192 PolarHBondContact O-N 3.21Å; L183-I194 HydrophobicContact CB-CD1 3.9Å; L183-I194 HydrophobicContact CD2-CD1 4.01Å; L183-F201 HydrophobicContact CD1-CE1 4.06Å; L183-F201 HydrophobicContact CD1-CZ 3.64Å; L183-F216 HydrophobicContact CD2-CD1 4.05Å; L183-F216 HydrophobicContact CD2-CE1 4.15Å; L183-V233 HydrophobicContact CD2-CG1 4.27Å
184Y97.5Very high93.3Very high25 Ų2563.3 Ų63.310%0.09832%0.318CS..EExtended strand (participates in β ladder)trans-110.3133.8-179.4177-100.3000111M141 F142 W164 L165 V186 V190 S191M141-Y184 PolarHBondContact O-OH 2.78Å; F142-Y184 HydrophobicContact CB-CD1 3.99Å; F142-Y184 HydrophobicContact CB-CD2 3.7Å; F142-Y184 HydrophobicContact CB-CE1 3.96Å; F142-Y184 HydrophobicContact CB-CE2 3.66Å; F142-Y184 HydrophobicContact CB-CG 3.84Å; F142-Y184 AromaticContact CD1-CD1 3.61Å; F142-Y184 HydrophobicContact CD1-CD1 3.61Å; F142-Y184 HydrophobicContact CD1-CD2 4.48Å; F142-Y184 HydrophobicContact CD1-CE1 4.17Å; F142-Y184 AromaticContact CD1-CG 3.76Å; F142-Y184 HydrophobicContact CD1-CG 3.76Å; F142-Y184 HydrophobicContact CD2-CG 4.44Å; F142-Y184 HydrophobicContact CE1-CD1 4.37Å; F142-Y184 HydrophobicContact CE1-CG 4.43Å; F142-Y184 AromaticContact CG-CD1 3.99Å; F142-Y184 HydrophobicContact CG-CD1 3.99Å; F142-Y184 HydrophobicContact CG-CD2 4.06Å; F142-Y184 HydrophobicContact CG-CE1 4.42Å; F142-Y184 HydrophobicContact CG-CE2 4.48Å; F142-Y184 AromaticContact CG-CG 3.76Å; F142-Y184 HydrophobicContact CG-CG 3.76Å; W164-Y184 WeakPolarHBondContact CA-O 3.34Å; L165-Y184 HydrophobicContact CB-CD1 4.32Å; L165-Y184 HydrophobicContact CD1-CD1 3.87Å; L165-Y184 HydrophobicContact CD1-CE1 4.36Å; L165-Y184 HydrophobicContact CG-CD1 4.23Å; L165-Y184 PolarHBondContact N-O 3.46Å; L165-Y184 PolarHBondContact O-N 3.46Å; Y184-V186 HydrophobicContact CD1-CG2 4.21Å; Y184-V186 HydrophobicContact CE1-CB 4.46Å; Y184-V186 HydrophobicContact CE1-CG2 4.03Å; Y184-V190 WeakPolarHBondContact CA-O 3.39Å; Y184-V190 WeakPolarHBondContact CD2-O 3.33Å; Y184-S191 WeakPolarHBondContact CD2-OG 3.28Å
185S96.9Very high93.9Very high4 Ų457.6 Ų57.63%0.02829%0.292CS..EExtended strand (participates in β ladder)trans-99.6119.3172.4-177.30000109.7R188 K189 V190S185-R188 PolarHBondContact OG-N 3.16Å; S185-K189 VanDerWaalsContact O-CA 3.25Å; S185-K189 WeakPolarHBondContact O-CA 3.24Å; S185-K189 PolarHBondContact O-N 2.91Å; S185-V190 PolarHBondContact N-O 3.38Å; S185-V190 PolarHBondContact O-N 3.1Å
186V94.9Very high94.4Very high38 Ų3849.6 Ų49.623%0.2325%0.249CC..THydrogen-bonded Turntrans-65.7-44179.2177.80000111M141 K163 L165 Y184 K189M141-V186 HydrophobicContact CE-CG2 4.42Å; K163-V186 WeakPolarHBondContact O-CB 3.2Å; K163-V186 WeakPolarHBondContact O-CG2 3.22Å; K163-V186 PolarHBondContact O-N 2.57Å; L165-V186 HydrophobicContact CD1-CG2 3.75Å; L165-V186 HydrophobicContact CD2-CG2 4.33Å; L165-V186 HydrophobicContact CG-CG2 3.82Å; Y184-V186 HydrophobicContact CD1-CG2 4.21Å; Y184-V186 HydrophobicContact CE1-CB 4.46Å; Y184-V186 HydrophobicContact CE1-CG2 4.03Å; V186-K189 WeakPolarHBondContact O-CG 3.47Å; V186-K189 PolarHBondContact O-N 3.25Å
187D92.9Very high94.9Very high104 Ų10446.5 Ų46.556%0.55624%0.237SC*.THydrogen-bonded Turntrans-69.4-38.9-177.1-65.3-29.7000112.2K163K163-D187 WeakPolarHBondContact CD-OD1 3.35Å; K163-D187 WeakPolarHBondContact CE-OD1 3.5Å; K163-D187 IonicContact NZ-OD1 3.55Å; K163-D187 PolarHBondContact NZ-OD1 3.3Å; K163-D187 IonicContact NZ-OD2 3.8Å
188R93.1Very high95.1Very high141 Ų14144.9 Ų44.953%0.53223%0.228SC..THydrogen-bonded Turntrans-89.4-11.3179.8-58.4-176-178.7179.23.1113.5S185 V190S185-R188 PolarHBondContact OG-N 3.16Å; R188-V190 HydrophobicContact CB-CG2 3.52Å; R188-V190 PolarHBondContact O-N 2.67Å
189K93.9Very high95.3Very high164 Ų16444 Ų4471%0.71322%0.223SC*.THydrogen-bonded Turntrans52.236-175.8-58.1-176.8178.8-177.60114.4S185 V186S185-K189 VanDerWaalsContact O-CA 3.25Å; S185-K189 WeakPolarHBondContact O-CA 3.24Å; S185-K189 PolarHBondContact O-N 2.91Å; V186-K189 WeakPolarHBondContact O-CG 3.47Å; V186-K189 PolarHBondContact O-N 3.25Å
190V94.5Very high95.4Very high85 Ų8544 Ų4452%0.51522%0.224SC..EExtended strand (participates in β ladder)trans-123.5143.1-179.6-82.90000111.7Y184 S185 R188Y184-V190 WeakPolarHBondContact CA-O 3.39Å; Y184-V190 WeakPolarHBondContact CD2-O 3.33Å; S185-V190 PolarHBondContact N-O 3.38Å; S185-V190 PolarHBondContact O-N 3.1Å; R188-V190 HydrophobicContact CB-CG2 3.52Å; R188-V190 PolarHBondContact O-N 2.67Å
191S94.9Very high95.4Very high45 Ų4544.6 Ų44.632%0.31522%0.224SC..EExtended strand (participates in β ladder)trans-104.1140.8174.1-670000110.8Q182 L183 Y184Q182-S191 PolarHBondContact NE2-OG 2.93Å; L183-S191 CarbonylContact O-C 3.52Å; L183-S191 WeakPolarHBondContact O-CA 3.24Å; Y184-S191 WeakPolarHBondContact CD2-OG 3.28Å
192Q95.1Very high95.3Very high116 Ų11645 Ų4554%0.54223%0.227SC..EExtended strand (participates in β ladder)trans-120.4121170.5-173.817510.400109.7L183 I194L183-Q192 PolarHBondContact N-O 2.82Å; L183-Q192 PolarHBondContact O-N 3.21Å; Q192-I194 HydrophobicContact CG-CG1 4.18Å
193P96Very high95.1Very high63 Ų6347 Ų4741%0.40924%0.236SC..EExtended strand (participates in β ladder)trans-75.1134.317130.9-33.6000110.3M181M181-P193 CarbonylContact O-C 3.55Å; M181-P193 WeakPolarHBondContact O-CA 3.31Å
194I95.4Very high94.8Very high26 Ų2647.3 Ų47.313%0.13324%0.238CC..EExtended strand (participates in β ladder)trans-136.1134.5-179.2-55.1176.1000108.3M181 L183 Q192 G196 F216 F218M181-I194 WeakPolarHBondContact CA-O 3.47Å; M181-I194 HydrophobicContact CB-CB 4.35Å; M181-I194 WeakPolarHBondContact CB-O 2.94Å; M181-I194 HydrophobicContact CE-CB 3.84Å; M181-I194 HydrophobicContact CE-CG2 3.51Å; M181-I194 PolarHBondContact N-O 3.09Å; M181-I194 PolarHBondContact O-N 2.85Å; L183-I194 HydrophobicContact CB-CD1 3.9Å; L183-I194 HydrophobicContact CD2-CD1 4.01Å; Q192-I194 HydrophobicContact CG-CG1 4.18Å; I194-G196 PolarHBondContact O-N 3.21Å; I194-F216 HydrophobicContact CD1-CE1 3.77Å; I194-F216 HydrophobicContact CD1-CZ 4.45Å; I194-F218 HydrophobicContact CG2-CD2 4.16Å; I194-F218 HydrophobicContact CG2-CE1 4.21Å; I194-F218 HydrophobicContact CG2-CE2 3.61Å; I194-F218 HydrophobicContact CG2-CZ 3.64Å
195E94.1Very high94.4Very high79 Ų7952.5 Ų52.537%0.36926%0.261SS..EExtended strand (participates in β ladder)trans-77.8119.8170-163.4-176.3177.700109.4V178 G179 V220 N222V178-E195 HydrophobicContact CG1-CG 4.44Å; G179-E195 CarbonylContact O-C 3.57Å; G179-E195 WeakPolarHBondContact O-CA 3.24Å; G179-E195 WeakPolarHBondContact O-CG 3.31Å; E195-V220 HydrophobicContact CG-CG2 4.05Å; E195-N222 VanDerWaalsContact CD-OD1 3.3Å; E195-N222 PolarHBondContact OE1-OD1 3.26Å; E195-N222 PolarHBondContact OE2-ND2 3.14Å
196G93.9Very high93.7Very high0 Ų054.1 Ų54.10%027%0.268CS..  trans-169.4142.6-176.100000113G179 M181 I194G179-G196 CarbonylContact C-O 3.52Å; G179-G196 WeakPolarHBondContact CA-O 3.32Å; G179-G196 PolarHBondContact O-N 3.32Å; M181-G196 WeakPolarHBondContact CG-O 3.18Å; I194-G196 PolarHBondContact O-N 3.21Å
197H94.6Very high92.9Very high3 Ų360.3 Ų60.31%0.01430%0.295CS..SBendtrans-96.4-41.4-178.8-66.684000112.5V177 A219 V220 R221 F260 P261V177-H197 PolarHBondContact O-NE2 3.23Å; H197-A219 PolarHBondContact N-O 3.22Å; H197-V220 WeakPolarHBondContact ND1-CA 3.21Å; H197-V220 WeakPolarHBondContact ND1-CG2 3.45Å; H197-R221 PolarHBondContact CE1-N 3.05Å; H197-R221 PolarHBondContact CE1-O 2.99Å; H197-R221 PolarHBondContact ND1-N 3.28Å; H197-F260 AromaticContact CD2-CD2 3.62Å; H197-P261 HydrophobicContact CB-CB 4.12Å; H197-P261 HydrophobicContact CB-CG 4.38Å; H197-P261 WeakPolarHBondContact CB-O 3.4Å
198A95.9Very high92Very high6 Ų659.1 Ų59.15%0.0531%0.307CS..EExtended strand (participates in β ladder)trans-142143.3-178.500000110.2F218 A219 P261 M264 L275A198-F218 CarbonylContact O-C 3.58Å; A198-F218 WeakPolarHBondContact O-CA 3.3Å; A198-A219 PolarHBondContact N-O 2.91Å; A198-A219 PolarHBondContact O-N 3.31Å; A198-P261 HydrophobicContact CB-CB 4.02Å; A198-M264 HydrophobicContact CB-CB 4.05Å; A198-L275 HydrophobicContact CB-CD1 4.35Å
199A96.5Very high91.6Very high5 Ų552.9 Ų52.94%0.04128%0.284CS..EExtended strand (participates in β ladder)trans-152.7160.5-176.400000112.3R157 L166 M181 F216 C217 F218R157-A199 VanDerWaalsContact CD-O 3.29Å; R157-A199 WeakPolarHBondContact CD-O 3.41Å; R157-A199 PolarHBondContact NE-O 2.6Å; L166-A199 HydrophobicContact CD2-CB 3.5Å; L166-A199 VanDerWaalsContact CD2-CB 3.5Å; M181-A199 HydrophobicContact SD-CB 3.87Å; A199-F216 HydrophobicContact CB-CE2 3.77Å; A199-F216 HydrophobicContact CB-CZ 4.16Å; A199-C217 CarbonylContact C-O 3.54Å; A199-C217 WeakPolarHBondContact CA-O 3.39Å; A199-C217 VanDerWaalsContact CB-O 3.29Å; A199-C217 WeakPolarHBondContact CB-O 3.41Å; A199-F218 HydrophobicContact CB-CB 3.65Å
200A96.3Very high91.1Very high1 Ų148.7 Ų48.71%0.00828%0.28CS..EExtended strand (participates in β ladder)trans-153.3151.8176.300000110.8C217 M264 I266A200-C217 PolarHBondContact N-O 3.24Å; A200-C217 PolarHBondContact O-N 2.89Å; A200-M264 HydrophobicContact CB-CB 4.44Å; A200-M264 HydrophobicContact CB-CG 4.01Å; A200-M264 HydrophobicContact CB-SD 4.08Å; A200-I266 HydrophobicContact CB-CD1 3.68Å; A200-I266 HydrophobicContact CB-CG1 3.77Å
201F96Very high90.7Very high26 Ų2651 Ų5111%0.11428%0.284CS..EExtended strand (participates in β ladder)trans-97.6151169.1-66-80.1000110.2R157 T158 D159 W164 L166 L183 L215 F216 V233R157-F201 HydrophobicContact CB-CD2 4.37Å; R157-F201 HydrophobicContact CB-CE2 4.34Å; T158-F201 WeakPolarHBondContact O-CD2 3.48Å; D159-F201 HydrophobicContact CB-CB 4.22Å; D159-F201 HydrophobicContact CB-CD1 4.23Å; D159-F201 HydrophobicContact CB-CG 4.08Å; W164-F201 HydrophobicContact CB-CE1 3.75Å; W164-F201 HydrophobicContact CB-CZ 3.82Å; W164-F201 HydrophobicContact CG-CE1 4.49Å; L166-F201 HydrophobicContact CB-CE2 3.84Å; L166-F201 HydrophobicContact CB-CZ 4.08Å; L183-F201 HydrophobicContact CD1-CE1 4.06Å; L183-F201 HydrophobicContact CD1-CZ 3.64Å; F201-L215 CarbonylContact C-O 3.49Å; F201-L215 VanDerWaalsContact CA-O 3.28Å; F201-L215 WeakPolarHBondContact CA-O 3.33Å; F201-F216 HydrophobicContact CD1-CB 4.08Å; F201-F216 AromaticContact CD1-CD2 3.94Å; F201-F216 HydrophobicContact CD1-CD2 3.94Å; F201-F216 HydrophobicContact CD1-CG 4.47Å; F201-F216 HydrophobicContact CE1-CB 3.91Å; F201-F216 AromaticContact CE1-CD2 3.51Å; F201-F216 HydrophobicContact CE1-CD2 3.51Å; F201-F216 HydrophobicContact CE1-CE2 4.39Å; F201-F216 HydrophobicContact CE1-CG 4.01Å; F201-F216 HydrophobicContact CE2-CD2 4.48Å; F201-F216 AromaticContact CZ-CD2 3.82Å; F201-F216 HydrophobicContact CZ-CD2 3.82Å; F201-F216 HydrophobicContact CZ-CE2 4.27Å; F201-V233 HydrophobicContact CE1-CG2 4.37Å
202A94.6Very high90.4Very high9 Ų951.7 Ų51.77%0.07429%0.287CS..EExtended strand (participates in β ladder)trans-148.6141.8171.500000111.9L215 I266 L287A202-L215 PolarHBondContact N-O 3.5Å; A202-L215 PolarHBondContact O-N 3.3Å; A202-I266 HydrophobicContact CB-CB 4.14Å; A202-I266 HydrophobicContact CB-CD1 3.46Å; A202-I266 VanDerWaalsContact CB-CD1 3.46Å; A202-I266 HydrophobicContact CB-CG1 4.36Å; A202-I266 HydrophobicContact CB-CG2 3.7Å; A202-L287 HydrophobicContact CB-CD2 4Å
203E92.6Very high90.2Very high42 Ų4246.3 Ų46.320%0.19626%0.262CS..EExtended strand (participates in β ladder)trans-84.5121.8165.2-67.6-56.8137.900109.2P212 T214E203-P212 HydrophobicContact CB-CB 4.29Å; E203-T214 VanDerWaalsContact OE1-CB 3.29Å; E203-T214 WeakPolarHBondContact OE1-CB 3.23Å; E203-T214 VanDerWaalsContact OE1-CG2 3.31Å; E203-T214 WeakPolarHBondContact OE1-CG2 3.34Å; E203-T214 PolarHBondContact OE1-OG1 3.28Å; E203-T214 PolarHBondContact OE2-OG1 2.88Å
204F90.8Very high90.1Very high12 Ų1244.3 Ų44.35%0.05325%0.249CC..EExtended strand (participates in β ladder)trans-131.9119.6-177.1-173.4-100.3000111.5M206 A213 L215 F243 L287 E288F204-M206 HydrophobicContact CD1-CG 4.02Å; F204-M206 HydrophobicContact CE1-CG 4.1Å; F204-M206 PolarHBondContact O-N 2.76Å; F204-A213 PolarHBondContact N-O 2.74Å; F204-A213 PolarHBondContact O-N 2.85Å; F204-L215 HydrophobicContact CB-CD1 3.5Å; F204-L215 HydrophobicContact CB-CG 3.95Å; F204-L215 HydrophobicContact CD1-CD1 4.15Å; F204-L215 HydrophobicContact CG-CD1 3.96Å; F204-F243 HydrophobicContact CD1-CE2 4.44Å; F204-L287 HydrophobicContact CB-CD2 4.17Å; F204-L287 HydrophobicContact CD2-CD2 3.63Å; F204-L287 HydrophobicContact CD2-CG 4.21Å; F204-L287 HydrophobicContact CE2-CD2 4.36Å; F204-L287 HydrophobicContact CG-CD2 4.15Å; F204-E288 HydrophobicContact CE1-CB 4.09Å; F204-E288 HydrophobicContact CE1-CG 3.94Å; F204-E288 HydrophobicContact CE2-CB 4.47Å; F204-E288 HydrophobicContact CZ-CB 3.69Å; F204-E288 HydrophobicContact CZ-CG 3.89Å
205K88.6Confident90.1Very high133 Ų13343.1 Ų43.158%0.57824%0.243SC*.  trans-87.3107.6174.4-171.6177.8-179.5177.40110N209 P212K205-N209 WeakPolarHBondContact CE-O 3.25Å; K205-P212 HydrophobicContact CB-CB 4.48Å
206M83.2Confident90.2Very high38 Ų3839.3 Ų39.319%0.18723%0.225CC..  trans-66.6151.6173.3-64.5178.365.100111.7F204 G208 N209 F243F204-M206 HydrophobicContact CD1-CG 4.02Å; F204-M206 HydrophobicContact CE1-CG 4.1Å; F204-M206 PolarHBondContact O-N 2.76Å; M206-G208 PolarHBondContact O-N 2.71Å; M206-N209 HydrophobicContact CB-CB 4.23Å; M206-N209 PolarHBondContact O-N 3.03Å; M206-N209 VanDerWaalsContact O-N 3.09Å; M206-F243 HydrophobicContact CE-CD2 4.32Å; M206-F243 HydrophobicContact CG-CD2 4.05Å; M206-F243 VanDerWaalsContact SD-CA 3.57Å; M206-F243 HydrophobicContact SD-CB 3.8Å; M206-F243 HydrophobicContact SD-CD2 3.7Å; M206-F243 HydrophobicContact SD-CG 4.21Å
207E77.4Confident90.4Very high168 Ų16839.3 Ų39.379%0.78523%0.225SC*.THydrogen-bonded Turntrans-59.2124.3173.7-167.5174.8-178.900110.2
208G75.4Confident90.5Very high79 Ų7940 Ų4081%0.81423%0.228SC*.THydrogen-bonded Turntrans87.4-11-177.300000115.9M206M206-G208 PolarHBondContact O-N 2.71Å
209N84.9Confident90.6Very high10 Ų1039.7 Ų39.75%0.05323%0.225CC..  trans-82.6144.8175.1-80.60.8000111.8K205 M206 N240 Q241K205-N209 WeakPolarHBondContact CE-O 3.25Å; M206-N209 HydrophobicContact CB-CB 4.23Å; M206-N209 PolarHBondContact O-N 3.03Å; M206-N209 VanDerWaalsContact O-N 3.09Å; N209-N240 HydrophobicContact CB-CB 4.41Å; N209-Q241 PolarHBondContact ND2-O 2.95Å; N209-Q241 PolarHBondContact OD1-N 3.48Å
210A82.4Confident90.5Very high77 Ų7739.8 Ų39.864%0.63623%0.225SC*.SBendtrans-78.3-44.5178.100000111.7N240A210-N240 PolarHBondContact N-OD1 3.39Å; A210-N240 VanDerWaalsContact N-OD1 3.09Å
211K85.9Confident90.3Very high134 Ų13441.6 Ų41.658%0.58323%0.232SC*.SBendtrans-109153.6-178.9-66.2-172.2-178.8-178.70111.8A237 N240K211-A237 HydrophobicContact CB-CB 4.16Å; K211-A237 HydrophobicContact CD-CB 3.91Å; K211-N240 PolarHBondContact N-OD1 2.87Å; K211-N240 PolarHBondContact O-ND2 2.89Å
212P88.3Confident89.9Confident58 Ų5842 Ų4238%0.37724%0.236SC..  trans-65.3153171.429.5-34.3000111.3E203 K205E203-P212 HydrophobicContact CB-CB 4.29Å; K205-P212 HydrophobicContact CB-CB 4.48Å
213A90.9Very high89.1Confident3 Ų347.1 Ų47.13%0.02527%0.268CS..EExtended strand (participates in β ladder)trans-103.2137170.600000109.5F204 L215 E232F204-A213 PolarHBondContact N-O 2.74Å; F204-A213 PolarHBondContact O-N 2.85Å; A213-L215 HydrophobicContact CB-CD2 4.36Å; A213-L215 PolarHBondContact O-N 2.9Å; A213-E232 HydrophobicContact CB-CG 4.28Å; A213-E232 WeakPolarHBondContact CB-OE1 3.46Å
214T94.3Very high88.4Confident22 Ų2250.8 Ų50.814%0.13529%0.293CS..EExtended strand (participates in β ladder)trans-79.2109.7173.8-51.20000109.3D159 E203 E232 V233D159-T214 HydrophobicContact CB-CG2 4.06Å; E203-T214 VanDerWaalsContact OE1-CB 3.29Å; E203-T214 WeakPolarHBondContact OE1-CB 3.23Å; E203-T214 VanDerWaalsContact OE1-CG2 3.31Å; E203-T214 WeakPolarHBondContact OE1-CG2 3.34Å; E203-T214 PolarHBondContact OE1-OG1 3.28Å; E203-T214 PolarHBondContact OE2-OG1 2.88Å; T214-E232 WeakPolarHBondContact O-CA 3.18Å; T214-V233 HydrophobicContact CG2-CG2 3.77Å; T214-V233 WeakPolarHBondContact O-CG2 3.08Å; T214-V233 PolarHBondContact O-N 3.1Å
215L95.5Very high88.2Confident0 Ų051.6 Ų51.60%031%0.305CS..EExtended strand (participates in β ladder)trans-97.3135177.9-56.3-173.6000110.9F201 A202 F204 A213 I230 I231 E232 F243 L287F201-L215 CarbonylContact C-O 3.49Å; F201-L215 VanDerWaalsContact CA-O 3.28Å; F201-L215 WeakPolarHBondContact CA-O 3.33Å; A202-L215 PolarHBondContact N-O 3.5Å; A202-L215 PolarHBondContact O-N 3.3Å; F204-L215 HydrophobicContact CB-CD1 3.5Å; F204-L215 HydrophobicContact CB-CG 3.95Å; F204-L215 HydrophobicContact CD1-CD1 4.15Å; F204-L215 HydrophobicContact CG-CD1 3.96Å; A213-L215 HydrophobicContact CB-CD2 4.36Å; A213-L215 PolarHBondContact O-N 2.9Å; L215-I230 HydrophobicContact CD1-CG2 4.09Å; L215-I231 CarbonylContact C-O 3.56Å; L215-I231 WeakPolarHBondContact CA-O 3.47Å; L215-E232 HydrophobicContact CD2-CB 3.91Å; L215-F243 HydrophobicContact CD1-CD2 4.14Å; L215-F243 HydrophobicContact CD1-CE2 3.92Å; L215-F243 HydrophobicContact CD1-CZ 4.18Å; L215-F243 HydrophobicContact CD2-CB 3.88Å; L215-F243 HydrophobicContact CD2-CD1 3.97Å; L215-F243 HydrophobicContact CD2-CD2 3.89Å; L215-F243 HydrophobicContact CD2-CE1 4.49Å; L215-F243 HydrophobicContact CD2-CE2 4.43Å; L215-F243 HydrophobicContact CD2-CG 3.64Å; L215-L287 HydrophobicContact CD1-CD1 4.13Å; L215-L287 HydrophobicContact CD1-CD2 4.44Å; L215-L287 HydrophobicContact CD1-CG 4.08Å
216F97.1Very high88.3Confident0 Ų045.6 Ų45.60%028%0.28CS..EExtended strand (participates in β ladder)trans-104.2115.8166.9175.6-122000109.3L166 M181 L183 I194 A199 F201 F218 I231 V233L166-F216 HydrophobicContact CD1-CE2 3.8Å; L166-F216 HydrophobicContact CD1-CZ 3.7Å; L166-F216 HydrophobicContact CD2-CE2 3.72Å; L166-F216 HydrophobicContact CD2-CZ 4.25Å; L166-F216 HydrophobicContact CG-CE2 4.32Å; M181-F216 HydrophobicContact CE-CZ 3.97Å; L183-F216 HydrophobicContact CD2-CD1 4.05Å; L183-F216 HydrophobicContact CD2-CE1 4.15Å; I194-F216 HydrophobicContact CD1-CE1 3.77Å; I194-F216 HydrophobicContact CD1-CZ 4.45Å; A199-F216 HydrophobicContact CB-CE2 3.77Å; A199-F216 HydrophobicContact CB-CZ 4.16Å; F201-F216 HydrophobicContact CD1-CB 4.08Å; F201-F216 AromaticContact CD1-CD2 3.94Å; F201-F216 HydrophobicContact CD1-CD2 3.94Å; F201-F216 HydrophobicContact CD1-CG 4.47Å; F201-F216 HydrophobicContact CE1-CB 3.91Å; F201-F216 AromaticContact CE1-CD2 3.51Å; F201-F216 HydrophobicContact CE1-CD2 3.51Å; F201-F216 HydrophobicContact CE1-CE2 4.39Å; F201-F216 HydrophobicContact CE1-CG 4.01Å; F201-F216 HydrophobicContact CE2-CD2 4.48Å; F201-F216 AromaticContact CZ-CD2 3.82Å; F201-F216 HydrophobicContact CZ-CD2 3.82Å; F201-F216 HydrophobicContact CZ-CE2 4.27Å; F216-F218 AromaticContact CD1-CD1 3.81Å; F216-F218 HydrophobicContact CD1-CD1 3.81Å; F216-F218 HydrophobicContact CD1-CE1 4.29Å; F216-F218 HydrophobicContact CE1-CB 4.24Å; F216-F218 AromaticContact CE1-CD1 3.3Å; F216-F218 HydrophobicContact CE1-CD1 3.3Å; F216-F218 AromaticContact CE1-CE1 3.86Å; F216-F218 HydrophobicContact CE1-CE1 3.86Å; F216-F218 HydrophobicContact CE1-CG 4.03Å; F216-F218 HydrophobicContact CE2-CB 4.47Å; F216-F218 HydrophobicContact CZ-CB 3.93Å; F216-F218 AromaticContact CZ-CD1 3.88Å; F216-F218 HydrophobicContact CZ-CD1 3.88Å; F216-F218 HydrophobicContact CZ-CG 4.17Å; F216-I231 HydrophobicContact CB-CG1 4.05Å; F216-I231 HydrophobicContact CD1-CD1 3.93Å; F216-I231 HydrophobicContact CD1-CG1 3.96Å; F216-I231 PolarHBondContact N-O 3.39Å; F216-I231 WeakPolarHBondContact O-CG1 3.41Å; F216-I231 PolarHBondContact O-N 3.22Å; F216-V233 HydrophobicContact CB-CG1 3.51Å; F216-V233 HydrophobicContact CB-CG2 4.22Å; F216-V233 HydrophobicContact CG-CG1 4.35Å
217C97.3Very high88.9Confident0 Ų047.4 Ų47.40%029%0.287CS..EExtended strand (participates in β ladder)trans-108131.5177.3-570000109.5A199 A200 H229 M264 I266 I273 L287A199-C217 CarbonylContact C-O 3.54Å; A199-C217 WeakPolarHBondContact CA-O 3.39Å; A199-C217 VanDerWaalsContact CB-O 3.29Å; A199-C217 WeakPolarHBondContact CB-O 3.41Å; A200-C217 PolarHBondContact N-O 3.24Å; A200-C217 PolarHBondContact O-N 2.89Å; C217-H229 CarbonylContact C-O 3.6Å; C217-H229 VanDerWaalsContact CA-O 3.23Å; C217-H229 WeakPolarHBondContact CA-O 3.23Å; C217-M264 HydrophobicContact CB-SD 3.8Å; C217-I266 HydrophobicContact CB-CD1 4.06Å; C217-I273 HydrophobicContact CB-CD1 4.29Å; C217-L287 WeakPolarHBondContact SG-CD1 3.42Å
218F97.1Very high89.8Confident17 Ų1739.4 Ų39.48%0.07525%0.25CC..EExtended strand (participates in β ladder)trans-144.4144.6173.270.7-85000112.3M181 I194 A198 A199 F216 H229M181-F218 HydrophobicContact CE-CB 3.73Å; M181-F218 HydrophobicContact CE-CD1 4.47Å; M181-F218 HydrophobicContact CE-CD2 3.64Å; M181-F218 HydrophobicContact CE-CE2 4.32Å; M181-F218 HydrophobicContact CE-CG 3.71Å; M181-F218 HydrophobicContact SD-CB 4.29Å; I194-F218 HydrophobicContact CG2-CD2 4.16Å; I194-F218 HydrophobicContact CG2-CE1 4.21Å; I194-F218 HydrophobicContact CG2-CE2 3.61Å; I194-F218 HydrophobicContact CG2-CZ 3.64Å; A198-F218 CarbonylContact O-C 3.58Å; A198-F218 WeakPolarHBondContact O-CA 3.3Å; A199-F218 HydrophobicContact CB-CB 3.65Å; F216-F218 AromaticContact CD1-CD1 3.81Å; F216-F218 HydrophobicContact CD1-CD1 3.81Å; F216-F218 HydrophobicContact CD1-CE1 4.29Å; F216-F218 HydrophobicContact CE1-CB 4.24Å; F216-F218 AromaticContact CE1-CD1 3.3Å; F216-F218 HydrophobicContact CE1-CD1 3.3Å; F216-F218 AromaticContact CE1-CE1 3.86Å; F216-F218 HydrophobicContact CE1-CE1 3.86Å; F216-F218 HydrophobicContact CE1-CG 4.03Å; F216-F218 HydrophobicContact CE2-CB 4.47Å; F216-F218 HydrophobicContact CZ-CB 3.93Å; F216-F218 AromaticContact CZ-CD1 3.88Å; F216-F218 HydrophobicContact CZ-CD1 3.88Å; F216-F218 HydrophobicContact CZ-CG 4.17Å; F218-H229 HydrophobicContact CD1-CB 3.73Å; F218-H229 HydrophobicContact CD2-CB 4.38Å; F218-H229 HydrophobicContact CE1-CB 3.34Å; F218-H229 AromaticContact CE1-CG 3.94Å; F218-H229 HydrophobicContact CE2-CB 4.06Å; F218-H229 AromaticContact CE2-CD2 3.36Å; F218-H229 WeakPolarHBondContact CE2-CD2 3.5Å; F218-H229 AromaticContact CE2-CG 3.97Å; F218-H229 HydrophobicContact CG-CB 4.24Å; F218-H229 HydrophobicContact CZ-CB 3.53Å; F218-H229 AromaticContact CZ-CD2 3.39Å; F218-H229 WeakPolarHBondContact CZ-CD2 3.41Å; F218-H229 AromaticContact CZ-CG 3.57Å; F218-H229 PolarHBondContact N-O 3.46Å; F218-H229 PolarHBondContact O-N 3.4Å
219A96.6Very high90.8Very high0 Ų037 Ų370%022%0.218CC..EExtended strand (participates in β ladder)trans-116.1138.8177.500000109.8H197 A198 K227 L228 P261 M264 L275H197-A219 PolarHBondContact N-O 3.22Å; A198-A219 PolarHBondContact N-O 2.91Å; A198-A219 PolarHBondContact O-N 3.31Å; A219-K227 CarbonylContact C-O 3.6Å; A219-K227 VanDerWaalsContact CA-O 3.25Å; A219-K227 WeakPolarHBondContact CA-O 3.46Å; A219-L228 HydrophobicContact CB-CD1 4.14Å; A219-P261 HydrophobicContact CB-CB 4.02Å; A219-P261 HydrophobicContact CB-CG 3.89Å; A219-M264 HydrophobicContact CB-CE 3.46Å; A219-M264 VanDerWaalsContact CB-CE 3.46Å; A219-L275 HydrophobicContact CB-CD1 3.78Å; A219-L275 HydrophobicContact CB-CD2 3.91Å
220V95.4Very high91.4Very high6 Ų636.6 Ų36.64%0.03622%0.215CC..EExtended strand (participates in β ladder)trans-138.7148-179.973.70000109.5E195 H197 N222 G226 K227E195-V220 HydrophobicContact CG-CG2 4.05Å; H197-V220 WeakPolarHBondContact ND1-CA 3.21Å; H197-V220 WeakPolarHBondContact ND1-CG2 3.45Å; V220-N222 WeakPolarHBondContact CG2-OD1 3.28Å; V220-G226 CarbonylContact O-C 3.18Å; V220-G226 VanDerWaalsContact O-CA 3.32Å; V220-G226 WeakPolarHBondContact O-CA 3.31Å; V220-K227 HydrophobicContact CG1-CB 4.32Å; V220-K227 PolarHBondContact N-O 3.43Å; V220-K227 PolarHBondContact O-N 2.96Å
221R92.7Very high92Very high40 Ų4034.5 Ų34.515%0.15119%0.193CC..EExtended strand (participates in β ladder)trans-110.2116.5162-155.7-171.5166.8152.41.4107.2R176 H197 F252 A256 Q257 D259 F260R176-R221 PolarHBondContact NE-O 3.11Å; R176-R221 VanDerWaalsContact NH2-CG 3.27Å; R176-R221 PolarHBondContact NH2-O 2.86Å; H197-R221 PolarHBondContact CE1-N 3.05Å; H197-R221 PolarHBondContact CE1-O 2.99Å; H197-R221 PolarHBondContact ND1-N 3.28Å; R221-F252 HydrophobicContact CB-CE2 4.36Å; R221-F252 HydrophobicContact CG-CD2 4.2Å; R221-F252 HydrophobicContact CG-CE2 3.83Å; R221-F252 HydrophobicContact CG-CZ 4.33Å; R221-A256 PolarHBondContact NH1-O 3.33Å; R221-A256 PolarHBondContact NH2-O 2.8Å; R221-Q257 PolarHBondContact NH1-O 2.9Å; R221-Q257 PolarHBondContact NH2-O 3.06Å; R221-D259 WeakPolarHBondContact CD-O 3.4Å; R221-D259 VanDerWaalsContact NH1-C 3.34Å; R221-D259 PolarHBondContact NH1-O 2.8Å; R221-F260 HydrophobicContact CB-CB 4.41Å
222N86.6Confident92.4Very high35 Ų3529.9 Ų29.919%0.18717%0.174CC..EExtended strand (participates in β ladder)trans-107.7172.4173.4-77.125.1000111.1R176 E195 V220 T224 G225R176-N222 PolarHBondContact NH1-O 2.68Å; R176-N222 VanDerWaalsContact NH1-O 3.13Å; R176-N222 VanDerWaalsContact NH2-CA 3.34Å; R176-N222 VanDerWaalsContact NH2-N 3.14Å; R176-N222 PolarHBondContact NH2-O 3.07Å; E195-N222 VanDerWaalsContact CD-OD1 3.3Å; E195-N222 PolarHBondContact OE1-OD1 3.26Å; E195-N222 PolarHBondContact OE2-ND2 3.14Å; V220-N222 WeakPolarHBondContact CG2-OD1 3.28Å; N222-T224 PolarHBondContact O-N 3.43Å; N222-G225 PolarHBondContact N-O 2.9Å; N222-G225 PolarHBondContact O-N 3.45Å
223P78.2Confident92.6Very high115 Ų11527.8 Ų27.875%0.74716%0.16SC*.THydrogen-bonded Turntrans-57-28.5173.2-27.336.1000112.9R176 G225R176-P223 VanDerWaalsContact NH1-CA 3.27Å; P223-G225 VanDerWaalsContact C-N 3.28Å; P223-G225 PolarHBondContact O-N 2.98Å
224T78.3Confident92.5Very high120 Ų12029.2 Ų29.274%0.73618%0.175SC*.THydrogen-bonded Turntrans-78.7-5176.851.80000114.3N222N222-T224 PolarHBondContact O-N 3.43Å
225G85.4Confident92Very high29 Ų2936.1 Ų36.130%0.29921%0.205SC..EExtended strand (participates in β ladder)trans125.6-179.4179.800000114N222 P223N222-G225 PolarHBondContact N-O 2.9Å; N222-G225 PolarHBondContact O-N 3.45Å; P223-G225 VanDerWaalsContact C-N 3.28Å; P223-G225 PolarHBondContact O-N 2.98Å
226G92.1Very high91.6Very high6 Ų638.7 Ų38.76%0.06222%0.222CC..EExtended strand (participates in β ladder)trans-83.8134.4172.600000111.4V220 D249 V250V220-G226 CarbonylContact O-C 3.18Å; V220-G226 VanDerWaalsContact O-CA 3.32Å; V220-G226 WeakPolarHBondContact O-CA 3.31Å; G226-D249 CarbonylContact O-C 3.6Å; G226-D249 WeakPolarHBondContact O-CA 3.41Å; G226-V250 PolarHBondContact O-N 3.34Å
227K95.5Very high90.9Very high76 Ų7640.2 Ų40.233%0.3323%0.234SC..EExtended strand (participates in β ladder)trans-133.7143.3175.3-65.7-163174.3-166.90111.9A219 V220 V248A219-K227 CarbonylContact C-O 3.6Å; A219-K227 VanDerWaalsContact CA-O 3.25Å; A219-K227 WeakPolarHBondContact CA-O 3.46Å; V220-K227 HydrophobicContact CG1-CB 4.32Å; V220-K227 PolarHBondContact N-O 3.43Å; V220-K227 PolarHBondContact O-N 2.96Å; K227-V248 CarbonylContact C-O 3.56Å; K227-V248 WeakPolarHBondContact CA-O 3.38Å
228L96.8Very high90.1Very high0 Ų045.4 Ų45.40%028%0.278CS..EExtended strand (participates in β ladder)trans-112.5122.4168.9176.266.1000108.1A219 I230 A247 V248 V250 M264 I273 Y285A219-L228 HydrophobicContact CB-CD1 4.14Å; L228-I230 HydrophobicContact CG-CG1 4.45Å; L228-A247 CarbonylContact O-C 3.44Å; L228-A247 WeakPolarHBondContact O-CA 3.16Å; L228-V248 PolarHBondContact N-O 3.44Å; L228-V248 PolarHBondContact O-N 2.93Å; L228-V250 HydrophobicContact CB-CG2 3.75Å; L228-M264 HydrophobicContact CD1-CE 3.49Å; L228-M264 VanDerWaalsContact CD1-CE 3.49Å; L228-I273 HydrophobicContact CD1-CD1 4.47Å; L228-I273 HydrophobicContact CD2-CD1 4.08Å; L228-Y285 HydrophobicContact CD2-CD1 3.84Å; L228-Y285 HydrophobicContact CD2-CD2 3.71Å; L228-Y285 HydrophobicContact CD2-CE1 4.34Å; L228-Y285 HydrophobicContact CD2-CE2 4.2Å; L228-Y285 HydrophobicContact CD2-CG 3.52Å
229H96.6Very high89.4Confident30 Ų3048.4 Ų48.414%0.13931%0.313CS..EExtended strand (participates in β ladder)trans-109.4136.8177-69.4-69.3000110.2C217 F218 K246C217-H229 CarbonylContact C-O 3.6Å; C217-H229 VanDerWaalsContact CA-O 3.23Å; C217-H229 WeakPolarHBondContact CA-O 3.23Å; F218-H229 HydrophobicContact CD1-CB 3.73Å; F218-H229 HydrophobicContact CD2-CB 4.38Å; F218-H229 HydrophobicContact CE1-CB 3.34Å; F218-H229 AromaticContact CE1-CG 3.94Å; F218-H229 HydrophobicContact CE2-CB 4.06Å; F218-H229 AromaticContact CE2-CD2 3.36Å; F218-H229 WeakPolarHBondContact CE2-CD2 3.5Å; F218-H229 AromaticContact CE2-CG 3.97Å; F218-H229 HydrophobicContact CG-CB 4.24Å; F218-H229 HydrophobicContact CZ-CB 3.53Å; F218-H229 AromaticContact CZ-CD2 3.39Å; F218-H229 WeakPolarHBondContact CZ-CD2 3.41Å; F218-H229 AromaticContact CZ-CG 3.57Å; F218-H229 PolarHBondContact N-O 3.46Å; F218-H229 PolarHBondContact O-N 3.4Å; H229-K246 WeakPolarHBondContact CA-O 3.48Å
230I96.9Very high88.9Confident1 Ų149.2 Ų49.21%0.00532%0.318CS..EExtended strand (participates in β ladder)trans-130113.9175.4-51.2174.3000106.6L215 L228 F243 K245 K246 I273 L287L215-I230 HydrophobicContact CD1-CG2 4.09Å; L228-I230 HydrophobicContact CG-CG1 4.45Å; I230-F243 HydrophobicContact CB-CE1 4.24Å; I230-F243 HydrophobicContact CG2-CE1 3.63Å; I230-F243 HydrophobicContact CG2-CZ 3.78Å; I230-K245 WeakPolarHBondContact O-CA 3.19Å; I230-K246 HydrophobicContact CB-CB 4.16Å; I230-K246 PolarHBondContact N-O 3.2Å; I230-K246 PolarHBondContact O-N 3.13Å; I230-I273 HydrophobicContact CD1-CD1 3.68Å; I230-I273 HydrophobicContact CG1-CD1 4.1Å; I230-L287 WeakPolarHBondContact CD1-O 3.41Å; I230-L287 HydrophobicContact CG2-CD1 4.28Å
231I95.4Very high88.5Confident32 Ų3255.8 Ų55.816%0.16435%0.348CS..EExtended strand (participates in β ladder)trans-133.1145.3-177.262.7175.9000110.7L215 F216 V233 K245L215-I231 CarbonylContact C-O 3.56Å; L215-I231 WeakPolarHBondContact CA-O 3.47Å; F216-I231 HydrophobicContact CB-CG1 4.05Å; F216-I231 HydrophobicContact CD1-CD1 3.93Å; F216-I231 HydrophobicContact CD1-CG1 3.96Å; F216-I231 PolarHBondContact N-O 3.39Å; F216-I231 WeakPolarHBondContact O-CG1 3.41Å; F216-I231 PolarHBondContact O-N 3.22Å; I231-V233 HydrophobicContact CD1-CG1 4.46Å; I231-V233 HydrophobicContact CG1-CG1 4.33Å; I231-K245 HydrophobicContact CG2-CB 4.01Å; I231-K245 HydrophobicContact CG2-CD 3.54Å; I231-K245 HydrophobicContact CG2-CG 3.55Å
232E94.3Very high88.3Confident38 Ų3857.8 Ų57.818%0.17837%0.366CS..EExtended strand (participates in β ladder)trans-78.2137.9166.4174.8177.3-151.100109.9A213 T214 L215 P242 F243A213-E232 HydrophobicContact CB-CG 4.28Å; A213-E232 WeakPolarHBondContact CB-OE1 3.46Å; T214-E232 WeakPolarHBondContact O-CA 3.18Å; L215-E232 HydrophobicContact CD2-CB 3.91Å; E232-P242 VanDerWaalsContact OE2-CA 3.24Å; E232-P242 WeakPolarHBondContact OE2-CA 3.34Å; E232-F243 HydrophobicContact CB-CB 3.72Å; E232-F243 PolarHBondContact OE2-N 3.35Å
233V92.2Very high88.6Confident14 Ų1457 Ų579%0.08536%0.361CS..  trans-115.3132178.5-69.90000109.9W164 L183 F201 T214 F216 I231W164-V233 HydrophobicContact CD2-CB 3.99Å; W164-V233 HydrophobicContact CD2-CG2 4.08Å; W164-V233 HydrophobicContact CE3-CB 4.39Å; W164-V233 HydrophobicContact CG-CB 4.47Å; W164-V233 HydrophobicContact CG-CG2 4.03Å; W164-V233 HydrophobicContact CH2-CB 4.27Å; W164-V233 HydrophobicContact CZ2-CB 3.88Å; L183-V233 HydrophobicContact CD2-CG1 4.27Å; F201-V233 HydrophobicContact CE1-CG2 4.37Å; T214-V233 HydrophobicContact CG2-CG2 3.77Å; T214-V233 WeakPolarHBondContact O-CG2 3.08Å; T214-V233 PolarHBondContact O-N 3.1Å; F216-V233 HydrophobicContact CB-CG1 3.51Å; F216-V233 HydrophobicContact CB-CG2 4.22Å; F216-V233 HydrophobicContact CG-CG1 4.35Å; I231-V233 HydrophobicContact CD1-CG1 4.46Å; I231-V233 HydrophobicContact CG1-CG1 4.33Å
234G87.4Confident89.2Confident33 Ų3356.2 Ų56.234%0.3435%0.354SS..SBendtrans103.7-170.1-176.800000113.4W164W164-G234 VanDerWaalsContact CZ2-N 3.34Å
235Q85.1Confident90Very high167 Ų16756.9 Ų56.978%0.7835%0.347SS*.PPolyproline II helixtrans-92.9131170.6-74.9179.5-10.400108.4
236P85.6Confident90.4Very high53 Ų5358.8 Ų58.834%0.34435%0.347SS..PPolyproline II helixtrans-56.4141.6173.9-21.330.1000110.7P242P236-P242 HydrophobicContact CG-CB 3.83Å
237A82.8Confident90.5Very high32 Ų3261.4 Ų61.426%0.26437%0.368SS..PPolyproline II helixtrans-59.8149.7176.700000111.7K211 G239 N240K211-A237 HydrophobicContact CB-CB 4.16Å; K211-A237 HydrophobicContact CD-CB 3.91Å; A237-G239 PolarHBondContact O-N 3.24Å; A237-G239 VanDerWaalsContact O-N 3.16Å; A237-N240 WeakPolarHBondContact O-CB 3.11Å; A237-N240 PolarHBondContact O-N 3.22Å
238A81.4Confident90.5Very high110 Ų11059.9 Ų59.991%0.90937%0.365SS*.THydrogen-bonded Turntrans-55.7122.2178.600000111.3
239G81.1Confident90.4Very high80 Ų8065.3 Ų65.383%0.82539%0.394SS*.THydrogen-bonded Turntrans91.1-5.9-176.700000115.6A237A237-G239 PolarHBondContact O-N 3.24Å; A237-G239 VanDerWaalsContact O-N 3.16Å
240N87.1Confident90.2Very high17 Ų1764.1 Ų64.19%0.09139%0.389CS..PPolyproline II helixtrans-86.7144.9172.6-79.95.5000111.7N209 A210 K211 A237N209-N240 HydrophobicContact CB-CB 4.41Å; A210-N240 PolarHBondContact N-OD1 3.39Å; A210-N240 VanDerWaalsContact N-OD1 3.09Å; K211-N240 PolarHBondContact N-OD1 2.87Å; K211-N240 PolarHBondContact O-ND2 2.89Å; A237-N240 WeakPolarHBondContact O-CB 3.11Å; A237-N240 PolarHBondContact O-N 3.22Å
241Q87.4Confident90Very high143 Ų14370.2 Ų70.267%0.66842%0.415SS*.PPolyproline II helixtrans-79.2139.4162.6-65.4-163.9-3.700110.4N209N209-Q241 PolarHBondContact ND2-O 2.95Å; N209-Q241 PolarHBondContact OD1-N 3.48Å
242P88.4Confident89.8Confident83 Ų8369.8 Ų69.854%0.53941%0.413SS..PPolyproline II helixtrans-68.5147.1177.627.7-33.4000111.7E232 P236 V244E232-P242 VanDerWaalsContact OE2-CA 3.24Å; E232-P242 WeakPolarHBondContact OE2-CA 3.34Å; P236-P242 HydrophobicContact CG-CB 3.83Å; P242-V244 PolarHBondContact O-N 3.22Å
243F92.1Very high89.5Confident17 Ų1769 Ų698%0.07541%0.41CS..PPolyproline II helixtrans-70.2127.7174.1-171.9-90.2000110.9F204 M206 L215 I230 E232 K245 K246 E288F204-F243 HydrophobicContact CD1-CE2 4.44Å; M206-F243 HydrophobicContact CE-CD2 4.32Å; M206-F243 HydrophobicContact CG-CD2 4.05Å; M206-F243 VanDerWaalsContact SD-CA 3.57Å; M206-F243 HydrophobicContact SD-CB 3.8Å; M206-F243 HydrophobicContact SD-CD2 3.7Å; M206-F243 HydrophobicContact SD-CG 4.21Å; L215-F243 HydrophobicContact CD1-CD2 4.14Å; L215-F243 HydrophobicContact CD1-CE2 3.92Å; L215-F243 HydrophobicContact CD1-CZ 4.18Å; L215-F243 HydrophobicContact CD2-CB 3.88Å; L215-F243 HydrophobicContact CD2-CD1 3.97Å; L215-F243 HydrophobicContact CD2-CD2 3.89Å; L215-F243 HydrophobicContact CD2-CE1 4.49Å; L215-F243 HydrophobicContact CD2-CE2 4.43Å; L215-F243 HydrophobicContact CD2-CG 3.64Å; I230-F243 HydrophobicContact CB-CE1 4.24Å; I230-F243 HydrophobicContact CG2-CE1 3.63Å; I230-F243 HydrophobicContact CG2-CZ 3.78Å; E232-F243 HydrophobicContact CB-CB 3.72Å; E232-F243 PolarHBondContact OE2-N 3.35Å; F243-K245 PolarHBondContact O-N 2.68Å; F243-K246 HydrophobicContact CE1-CG 4.06Å; F243-K246 HydrophobicContact CZ-CG 4.21Å; F243-E288 WeakPolarHBondContact CZ-O 3.33Å
244V91.9Very high89.2Confident99 Ų9973.2 Ų73.260%0.644%0.438SS*.  trans-75.2112.9176.6-178.50000109.5P242 K246P242-V244 PolarHBondContact O-N 3.22Å; V244-K246 WeakPolarHBondContact O-CE 3.11Å; V244-K246 PolarHBondContact O-N 3.3Å
245K93.6Very high89.2Confident134 Ų13479.5 Ų79.558%0.58346%0.459SS*.  trans-43.1128175.9168.1165.4-171.1-1790112I230 I231 F243I230-K245 WeakPolarHBondContact O-CA 3.19Å; I231-K245 HydrophobicContact CG2-CB 4.01Å; I231-K245 HydrophobicContact CG2-CD 3.54Å; I231-K245 HydrophobicContact CG2-CG 3.55Å; F243-K245 PolarHBondContact O-N 2.68Å
246K95.2Very high89.1Confident69 Ų6971.6 Ų71.630%0.342%0.422SS..EExtended strand (participates in β ladder)trans-108.2142.5173-53.2-61.1178.4-178.60110.7H229 I230 F243 V244H229-K246 WeakPolarHBondContact CA-O 3.48Å; I230-K246 HydrophobicContact CB-CB 4.16Å; I230-K246 PolarHBondContact N-O 3.2Å; I230-K246 PolarHBondContact O-N 3.13Å; F243-K246 HydrophobicContact CE1-CG 4.06Å; F243-K246 HydrophobicContact CZ-CG 4.21Å; V244-K246 WeakPolarHBondContact O-CE 3.11Å; V244-K246 PolarHBondContact O-N 3.3Å
247A94.6Very high89Confident62 Ų6276 Ų7651%0.51244%0.438SS..EExtended strand (participates in β ladder)trans-138.7111171.900000107.2L228L228-A247 CarbonylContact O-C 3.44Å; L228-A247 WeakPolarHBondContact O-CA 3.16Å
248V94.7Very high89.2Confident43 Ų4379.8 Ų79.826%0.26145%0.454SS..EExtended strand (participates in β ladder)trans-124146.4-175.8-174.60000109.3K227 L228 G290K227-V248 CarbonylContact C-O 3.56Å; K227-V248 WeakPolarHBondContact CA-O 3.38Å; L228-V248 PolarHBondContact N-O 3.44Å; L228-V248 PolarHBondContact O-N 2.93Å; V248-G290 WeakPolarHBondContact CG1-O 3.24Å; V248-G290 WeakPolarHBondContact CG2-O 3.26Å
249D93.9Very high89.7Confident115 Ų11574.7 Ų74.762%0.61541%0.411SS*.EExtended strand (participates in β ladder)trans-75.9137.3179.6-62.6-36.6000111.3G226G226-D249 CarbonylContact O-C 3.6Å; G226-D249 WeakPolarHBondContact O-CA 3.41Å
250V94Very high90.3Very high5 Ų572.1 Ų72.13%0.0338%0.378CS..EExtended strand (participates in β ladder)trans-96.8112.9172.7177.70000107.6G226 L228 F252 L275 Y285G226-V250 PolarHBondContact O-N 3.34Å; L228-V250 HydrophobicContact CB-CG2 3.75Å; V250-F252 HydrophobicContact CB-CE2 4.05Å; V250-F252 HydrophobicContact CG1-CD2 4.34Å; V250-F252 HydrophobicContact CG1-CE2 3.59Å; V250-F252 HydrophobicContact CG1-CZ 3.78Å; V250-F252 VanDerWaalsContact O-CD2 3.29Å; V250-F252 WeakPolarHBondContact O-CD2 2.94Å; V250-L275 HydrophobicContact CG1-CD2 3.98Å; V250-L275 HydrophobicContact CG2-CD2 4.23Å; V250-Y285 WeakPolarHBondContact CA-OH 3.35Å
251F91.9Very high90.7Very high128 Ų12871.4 Ų71.456%0.56137%0.373SS*.  trans-70.1135.5-178.8179.9-101.8000111.2P253 H283 M295F251-P253 HydrophobicContact CE1-CB 4.26Å; F251-H283 PolarHBondContact O-CE1 3.14Å; F251-M295 HydrophobicContact CB-CE 3.88Å; F251-M295 HydrophobicContact CB-SD 3.9Å; F251-M295 HydrophobicContact CD1-CE 3.51Å; F251-M295 HydrophobicContact CD1-SD 4.24Å; F251-M295 HydrophobicContact CG-CE 4.17Å; F251-M295 HydrophobicContact CG-SD 4.5Å
252F90.9Very high91Very high24 Ų2466.2 Ų66.211%0.10535%0.352CS..  trans-125.9127.6169-69.7-86.8000108R221 V250 D259 P261 T277R221-F252 HydrophobicContact CB-CE2 4.36Å; R221-F252 HydrophobicContact CG-CD2 4.2Å; R221-F252 HydrophobicContact CG-CE2 3.83Å; R221-F252 HydrophobicContact CG-CZ 4.33Å; V250-F252 HydrophobicContact CB-CE2 4.05Å; V250-F252 HydrophobicContact CG1-CD2 4.34Å; V250-F252 HydrophobicContact CG1-CE2 3.59Å; V250-F252 HydrophobicContact CG1-CZ 3.78Å; V250-F252 VanDerWaalsContact O-CD2 3.29Å; V250-F252 WeakPolarHBondContact O-CD2 2.94Å; F252-D259 HydrophobicContact CD1-CB 3.99Å; F252-D259 HydrophobicContact CE1-CB 4.28Å; F252-P261 HydrophobicContact CZ-CG 4.14Å; F252-T277 HydrophobicContact CE1-CG2 3.81Å; F252-T277 HydrophobicContact CZ-CG2 4.5Å
253P88.5Confident91.3Very high20 Ų2062.7 Ų62.713%0.1333%0.329CS..  trans-64.4152.817925.2-30.8000110.7F251 E255 A256 Y281F251-P253 HydrophobicContact CE1-CB 4.26Å; P253-E255 PolarHBondContact O-N 2.86Å; P253-E255 VanDerWaalsContact O-N 3.13Å; P253-A256 HydrophobicContact CG-CB 3.79Å; P253-A256 WeakPolarHBondContact O-CA 3.27Å; P253-A256 PolarHBondContact O-N 3.38Å; P253-Y281 HydrophobicContact CG-CE1 4.21Å; P253-Y281 HydrophobicContact CG-CE2 4.18Å
254P85.2Confident91.5Very high103 Ų10361.9 Ų61.967%0.66933%0.326SS*.THydrogen-bonded Turntrans-61.7-24.6-176.624.3-33.7000113.3A256 Q257P254-A256 PolarHBondContact O-N 3.08Å; P254-Q257 VanDerWaalsContact O-CG 3.26Å; P254-Q257 WeakPolarHBondContact O-CG 3.37Å
255E86.8Confident91.7Very high165 Ų16557.9 Ų57.977%0.77130%0.301SS*.THydrogen-bonded Turntrans-68.6-20.8173.5-61.2170.8-165.300112.9P253P253-E255 PolarHBondContact O-N 2.86Å; P253-E255 VanDerWaalsContact O-N 3.13Å
256A84.6Confident91.7Very high1 Ų152.9 Ų52.91%0.00828%0.28CS..  trans-108.152.3-173.800000111.6R221 P253 P254 N258 D259 Y279 Y281R221-A256 PolarHBondContact NH1-O 3.33Å; R221-A256 PolarHBondContact NH2-O 2.8Å; P253-A256 HydrophobicContact CG-CB 3.79Å; P253-A256 WeakPolarHBondContact O-CA 3.27Å; P253-A256 PolarHBondContact O-N 3.38Å; P254-A256 PolarHBondContact O-N 3.08Å; A256-N258 VanDerWaalsContact C-N 3.33Å; A256-N258 PolarHBondContact O-N 3.27Å; A256-D259 HydrophobicContact CB-CB 3.77Å; A256-D259 WeakPolarHBondContact O-CB 3.29Å; A256-D259 PolarHBondContact O-N 2.89Å; A256-Y279 HydrophobicContact CB-CD2 3.97Å; A256-Y279 HydrophobicContact CB-CE2 4.38Å; A256-Y281 HydrophobicContact CB-CE2 4.39Å
257Q82.7Confident91.6Very high147 Ų14749.6 Ų49.669%0.68727%0.266SS*.THydrogen-bonded Turntrans-61.4-37.3-175.7-63.3-172.7-1.900113.7R221 P254R221-Q257 PolarHBondContact NH1-O 2.9Å; R221-Q257 PolarHBondContact NH2-O 3.06Å; P254-Q257 VanDerWaalsContact O-CG 3.26Å; P254-Q257 WeakPolarHBondContact O-CG 3.37Å
258N87.9Confident91.3Very high111 Ų11150.3 Ų50.359%0.59427%0.271SS*.THydrogen-bonded Turntrans-98.310.1-178.3-64.5-27.8000113.5A256 F260A256-N258 VanDerWaalsContact C-N 3.33Å; A256-N258 PolarHBondContact O-N 3.27Å; N258-F260 WeakPolarHBondContact O-CD1 3.42Å
259D92.2Very high91Very high2 Ų253.9 Ų53.91%0.01128%0.283CS..  trans-73.8156.6178.2-165.516.6000111.2R221 F252 A256 T277 K278 Y279R221-D259 WeakPolarHBondContact CD-O 3.4Å; R221-D259 VanDerWaalsContact NH1-C 3.34Å; R221-D259 PolarHBondContact NH1-O 2.8Å; F252-D259 HydrophobicContact CD1-CB 3.99Å; F252-D259 HydrophobicContact CE1-CB 4.28Å; A256-D259 HydrophobicContact CB-CB 3.77Å; A256-D259 WeakPolarHBondContact O-CB 3.29Å; A256-D259 PolarHBondContact O-N 2.89Å; D259-T277 VanDerWaalsContact CG-OG1 3.27Å; D259-T277 VanDerWaalsContact OD1-CB 3.22Å; D259-T277 WeakPolarHBondContact OD1-CB 3.47Å; D259-T277 PolarHBondContact OD1-OG1 3.09Å; D259-T277 WeakPolarHBondContact OD2-CB 3.4Å; D259-T277 PolarHBondContact OD2-OG1 2.79Å; D259-K278 WeakPolarHBondContact OD1-CA 3.27Å; D259-K278 VanDerWaalsContact OD1-CB 3.28Å; D259-K278 WeakPolarHBondContact OD1-CB 3.41Å; D259-K278 PolarHBondContact OD1-N 2.77Å; D259-Y279 HydrophobicContact CB-CD1 4.48Å; D259-Y279 HydrophobicContact CB-CD2 4.13Å; D259-Y279 HydrophobicContact CB-CG 4.1Å; D259-Y279 PolarHBondContact OD1-N 3.35Å
260F93.6Very high90.7Very high27 Ų2748.5 Ų48.512%0.11825%0.254CS..  trans-160.1159.8176.757.2-86.3000109.9V177 H197 R221 N258 V262 T277 K278V177-F260 HydrophobicContact CB-CD1 4.24Å; V177-F260 HydrophobicContact CB-CE1 3.93Å; V177-F260 HydrophobicContact CB-CE2 4.38Å; V177-F260 HydrophobicContact CB-CZ 4.01Å; V177-F260 HydrophobicContact CG1-CE1 4.42Å; V177-F260 HydrophobicContact CG1-CE2 4.06Å; V177-F260 HydrophobicContact CG1-CZ 3.99Å; V177-F260 HydrophobicContact CG2-CD1 4.37Å; V177-F260 HydrophobicContact CG2-CE1 3.67Å; V177-F260 HydrophobicContact CG2-CZ 3.86Å; H197-F260 AromaticContact CD2-CD2 3.62Å; R221-F260 HydrophobicContact CB-CB 4.41Å; N258-F260 WeakPolarHBondContact O-CD1 3.42Å; F260-V262 HydrophobicContact CD2-CG2 4.19Å; F260-V262 HydrophobicContact CE2-CG2 3.85Å; F260-V262 HydrophobicContact CZ-CG2 4.44Å; F260-V262 PolarHBondContact O-N 3.21Å; F260-T277 CarbonylContact O-C 3.57Å; F260-T277 VanDerWaalsContact O-CA 3.25Å; F260-T277 WeakPolarHBondContact O-CA 3.37Å; F260-T277 WeakPolarHBondContact O-CB 3.21Å; F260-K278 HydrophobicContact CD1-CB 4.15Å; F260-K278 HydrophobicContact CE1-CB 3.98Å; F260-K278 HydrophobicContact CE1-CD 4.26Å; F260-K278 HydrophobicContact CE1-CG 3.93Å; F260-K278 HydrophobicContact CZ-CB 4.23Å; F260-K278 HydrophobicContact CZ-CD 3.99Å; F260-K278 HydrophobicContact CZ-CG 4.16Å; F260-K278 PolarHBondContact O-N 3.39Å
261P95.5Very high90.5Very high1 Ų148.4 Ų48.41%0.00625%0.254CS..EExtended strand (participates in β ladder)trans-61.7132.8175.9-2033.1000111.2H197 A198 A219 F252 L275H197-P261 HydrophobicContact CB-CB 4.12Å; H197-P261 HydrophobicContact CB-CG 4.38Å; H197-P261 WeakPolarHBondContact CB-O 3.4Å; A198-P261 HydrophobicContact CB-CB 4.02Å; A219-P261 HydrophobicContact CB-CB 4.02Å; A219-P261 HydrophobicContact CB-CG 3.89Å; F252-P261 HydrophobicContact CZ-CG 4.14Å; P261-L275 HydrophobicContact CB-CD1 3.9Å; P261-L275 HydrophobicContact CB-CD2 4.43Å; P261-L275 HydrophobicContact CB-CG 4.36Å; P261-L275 HydrophobicContact CG-CD2 4.47Å
262V93.3Very high90.6Very high35 Ų3542.3 Ų42.321%0.21223%0.228CC..EExtended strand (participates in β ladder)trans-113.6-41.3179.9169.90000111.4F260 I276 K278F260-V262 HydrophobicContact CD2-CG2 4.19Å; F260-V262 HydrophobicContact CE2-CG2 3.85Å; F260-V262 HydrophobicContact CZ-CG2 4.44Å; F260-V262 PolarHBondContact O-N 3.21Å; V262-I276 PolarHBondContact N-O 3.42Å; V262-K278 HydrophobicContact CG2-CB 3.75Å; V262-K278 HydrophobicContact CG2-CD 3.93Å; V262-K278 HydrophobicContact CG2-CG 4.48Å
263A94.3Very high90.9Very high8 Ų841.1 Ų41.17%0.06622%0.223CC..EExtended strand (participates in β ladder)trans-138142.3-17800000111I276 T306A263-I276 HydrophobicContact CB-CB 4.39Å; A263-I276 PolarHBondContact N-O 3.35Å; A263-I276 VanDerWaalsContact N-O 3.17Å; A263-I276 PolarHBondContact O-N 2.96Å; A263-T306 HydrophobicContact CB-CG2 3.61Å; A263-T306 WeakPolarHBondContact CB-OG1 3.33Å
264M96.4Very high91.3Very high1 Ų140.2 Ų40.21%0.00522%0.217CC..EExtended strand (participates in β ladder)trans-129.9135.3173.9-174.2-176.7-71.400109.1R157 A198 A200 C217 A219 L228 I273 Y274 L275R157-M264 VanDerWaalsContact CZ-O 3.27Å; R157-M264 PolarHBondContact NH1-O 2.84Å; R157-M264 PolarHBondContact NH2-O 3.43Å; A198-M264 HydrophobicContact CB-CB 4.05Å; A200-M264 HydrophobicContact CB-CB 4.44Å; A200-M264 HydrophobicContact CB-CG 4.01Å; A200-M264 HydrophobicContact CB-SD 4.08Å; C217-M264 HydrophobicContact CB-SD 3.8Å; A219-M264 HydrophobicContact CB-CE 3.46Å; A219-M264 VanDerWaalsContact CB-CE 3.46Å; L228-M264 HydrophobicContact CD1-CE 3.49Å; L228-M264 VanDerWaalsContact CD1-CE 3.49Å; M264-I273 HydrophobicContact CE-CG2 4.34Å; M264-I273 HydrophobicContact CG-CG2 3.66Å; M264-I273 HydrophobicContact SD-CG2 3.92Å; M264-Y274 CarbonylContact C-O 3.58Å; M264-Y274 VanDerWaalsContact CA-O 3.3Å; M264-Y274 WeakPolarHBondContact CA-O 3.36Å; M264-L275 HydrophobicContact CB-CD1 4.03Å; M264-L275 HydrophobicContact CE-CD1 3.72Å; M264-L275 HydrophobicContact CG-CD1 4.31Å
265Q95.4Very high91.9Very high15 Ų1535.3 Ų35.37%0.0719%0.185CC..EExtended strand (participates in β ladder)trans-136.9152.7170.2-63.2-62.8-0.500109.7R157 Y274 I315R157-Q265 VanDerWaalsContact NH2-CD 3.34Å; Q265-Y274 PolarHBondContact N-O 3.11Å; Q265-Y274 PolarHBondContact O-N 3.32Å; Q265-I315 HydrophobicContact CB-CB 4.34Å; Q265-I315 HydrophobicContact CB-CD1 4.04Å; Q265-I315 HydrophobicContact CB-CG1 4.33Å; Q265-I315 HydrophobicContact CG-CB 4.32Å; Q265-I315 HydrophobicContact CG-CD1 3.58Å; Q265-I315 HydrophobicContact CG-CG1 3.81Å
266I95.1Very high92.3Very high29 Ų2927.6 Ų27.615%0.14915%0.149CC..EExtended strand (participates in β ladder)trans-116.7121.8-179.8-57.9175.5000108.8A200 A202 C217 A268 V272 I273 L287A200-I266 HydrophobicContact CB-CD1 3.68Å; A200-I266 HydrophobicContact CB-CG1 3.77Å; A202-I266 HydrophobicContact CB-CB 4.14Å; A202-I266 HydrophobicContact CB-CD1 3.46Å; A202-I266 VanDerWaalsContact CB-CD1 3.46Å; A202-I266 HydrophobicContact CB-CG1 4.36Å; A202-I266 HydrophobicContact CB-CG2 3.7Å; C217-I266 HydrophobicContact CB-CD1 4.06Å; I266-A268 PolarHBondContact O-N 3.48Å; I266-V272 CarbonylContact C-O 3.01Å; I266-V272 WeakPolarHBondContact CA-O 3.25Å; I266-I273 HydrophobicContact CG1-CG1 4.29Å; I266-L287 HydrophobicContact CD1-CD1 4.31Å; I266-L287 HydrophobicContact CG2-CD2 3.92Å
267G92.8Very high92.8Very high0 Ų027.5 Ų27.50%015%0.148CC..EExtended strand (participates in β ladder)trans-80.786.7171.200000109.8K269 H270 G271 V272 S313G267-K269 PolarHBondContact O-N 3.18Å; G267-K269 VanDerWaalsContact O-N 3.16Å; G267-H270 PolarHBondContact O-N 2.91Å; G267-G271 PolarHBondContact O-N 2.91Å; G267-V272 PolarHBondContact N-O 3.43Å; G267-V272 PolarHBondContact O-N 3.49Å; G267-S313 WeakPolarHBondContact CA-O 3.28Å; G267-S313 WeakPolarHBondContact CA-OG 3.14Å
268A87.3Confident93.3Very high76 Ų7623.7 Ų23.763%0.62813%0.129SC*.THydrogen-bonded Turntrans-55.8-32.2-175.900000113.5I266 H270 S313I266-A268 PolarHBondContact O-N 3.48Å; A268-H270 VanDerWaalsContact C-N 3.31Å; A268-H270 PolarHBondContact O-N 3.47Å; A268-S313 PolarHBondContact N-OG 2.99Å
269K88.5Confident93.6Very high118 Ų11822.7 Ų22.751%0.51312%0.118SC..THydrogen-bonded Turntrans-60.8-40177.5-172.4-177.6179.2-167.20112.3G267 S313 E331 S355G267-K269 PolarHBondContact O-N 3.18Å; G267-K269 VanDerWaalsContact O-N 3.16Å; K269-S313 WeakPolarHBondContact CB-OG 3.44Å; K269-S313 PolarHBondContact N-OG 3.3Å; K269-E331 WeakPolarHBondContact CE-OE1 3.27Å; K269-E331 IonicContact NZ-OE1 2.95Å; K269-E331 PolarHBondContact NZ-OE1 3.48Å; K269-E331 IonicContact NZ-OE2 2.73Å; K269-S355 PolarHBondContact O-OG 2.85Å; K269-S355 VanDerWaalsContact O-OG 3.13Å
270H87.6Confident93.6Very high2 Ų222.6 Ų22.61%0.00912%0.117CC..THydrogen-bonded Turntrans-103.1-10.6-175.6-55.7-60.4000113.5G267 A268 V272 V329 E331 R354 S355G267-H270 PolarHBondContact O-N 2.91Å; A268-H270 VanDerWaalsContact C-N 3.31Å; A268-H270 PolarHBondContact O-N 3.47Å; H270-V272 HydrophobicContact CB-CG1 4.06Å; H270-V272 HydrophobicContact CB-CG2 4.07Å; H270-V329 HydrophobicContact CB-CG2 4.36Å; H270-E331 IonicContact CE1-OE1 3.01Å; H270-E331 PolarHBondContact CE1-OE1 2.78Å; H270-E331 VanDerWaalsContact CE1-OE1 3.28Å; H270-E331 IonicContact NE2-OE1 2.79Å; H270-R354 PolarHBondContact O-NH2 3.12Å; H270-S355 VanDerWaalsContact CA-OG 3.29Å; H270-S355 WeakPolarHBondContact CA-OG 3.37Å
271G90.4Very high93.6Very high3 Ų323 Ų233%0.03112%0.118CC..THydrogen-bonded Turntrans6146.4-171.700000111.4G267 L287 R354G267-G271 PolarHBondContact O-N 2.91Å; G271-L287 WeakPolarHBondContact O-CB 3.24Å; G271-L287 PolarHBondContact O-N 3.5Å; G271-R354 PolarHBondContact O-NH2 3.35Å
272V94.5Very high93.6Very high0 Ų023 Ų230%012%0.118CC..EExtended strand (participates in β ladder)trans-122.4147.2-179.6-60.30000111.4I266 G267 H270 Y274 L284 Y285 I293 V329I266-V272 CarbonylContact C-O 3.01Å; I266-V272 WeakPolarHBondContact CA-O 3.25Å; G267-V272 PolarHBondContact N-O 3.43Å; G267-V272 PolarHBondContact O-N 3.49Å; H270-V272 HydrophobicContact CB-CG1 4.06Å; H270-V272 HydrophobicContact CB-CG2 4.07Å; V272-Y274 HydrophobicContact CG2-CD2 4.48Å; V272-Y274 HydrophobicContact CG2-CE1 4.45Å; V272-Y274 HydrophobicContact CG2-CE2 3.79Å; V272-L284 HydrophobicContact CB-CD2 3.75Å; V272-L284 HydrophobicContact CB-CG 4.43Å; V272-L284 HydrophobicContact CG1-CD2 3.83Å; V272-L284 HydrophobicContact CG2-CD2 4.36Å; V272-Y285 CarbonylContact C-O 3.56Å; V272-Y285 VanDerWaalsContact CA-O 3.27Å; V272-Y285 WeakPolarHBondContact CA-O 3.36Å; V272-I293 HydrophobicContact CG1-CD1 4.21Å; V272-V329 HydrophobicContact CG1-CG2 4.46Å; V272-V329 HydrophobicContact CG2-CG2 3.82Å
273I96.8Very high93.7Very high0 Ų021.4 Ų21.40%011%0.109CC..EExtended strand (participates in β ladder)trans-103.7120.9177.4-54.8169.4000108C217 L228 I230 M264 I266 L284 Y285 L287C217-I273 HydrophobicContact CB-CD1 4.29Å; L228-I273 HydrophobicContact CD1-CD1 4.47Å; L228-I273 HydrophobicContact CD2-CD1 4.08Å; I230-I273 HydrophobicContact CD1-CD1 3.68Å; I230-I273 HydrophobicContact CG1-CD1 4.1Å; M264-I273 HydrophobicContact CE-CG2 4.34Å; M264-I273 HydrophobicContact CG-CG2 3.66Å; M264-I273 HydrophobicContact SD-CG2 3.92Å; I266-I273 HydrophobicContact CG1-CG1 4.29Å; I273-L284 WeakPolarHBondContact O-CA 3.3Å; I273-Y285 PolarHBondContact N-O 3.47Å; I273-Y285 PolarHBondContact O-N 3.35Å; I273-L287 HydrophobicContact CD1-CD1 3.84Å; I273-L287 HydrophobicContact CG1-CB 4.32Å; I273-L287 HydrophobicContact CG1-CD1 3.89Å
274Y97.2Very high93.7Very high0 Ų021 Ų210%011%0.106CC..EExtended strand (participates in β ladder)trans-92.9120.4168.3-55.4-86.1000108.8M264 Q265 V272 L282 L284 S313 I315 V327 V329M264-Y274 CarbonylContact C-O 3.58Å; M264-Y274 VanDerWaalsContact CA-O 3.3Å; M264-Y274 WeakPolarHBondContact CA-O 3.36Å; Q265-Y274 PolarHBondContact N-O 3.11Å; Q265-Y274 PolarHBondContact O-N 3.32Å; V272-Y274 HydrophobicContact CG2-CD2 4.48Å; V272-Y274 HydrophobicContact CG2-CE1 4.45Å; V272-Y274 HydrophobicContact CG2-CE2 3.79Å; Y274-L282 HydrophobicContact CD1-CD1 4.41Å; Y274-L284 HydrophobicContact CD1-CD1 4.24Å; Y274-L284 HydrophobicContact CD1-CG 4.41Å; Y274-L284 HydrophobicContact CE1-CD1 3.86Å; Y274-L284 HydrophobicContact CE1-CG 4.39Å; Y274-S313 VanDerWaalsContact CE2-O 3.31Å; Y274-S313 WeakPolarHBondContact CE2-O 3.49Å; Y274-S313 PolarHBondContact OH-O 3.16Å; Y274-I315 HydrophobicContact CD1-CG2 4.11Å; Y274-I315 HydrophobicContact CG-CB 4.36Å; Y274-I315 HydrophobicContact CG-CG2 3.99Å; Y274-V327 HydrophobicContact CE1-CG1 4.48Å; Y274-V329 PolarHBondContact OH-N 3.1Å
275L97Very high93.7Very high0 Ų021 Ų210%011%0.106CC..EExtended strand (participates in β ladder)trans-118.5124.1176.7-172.467.9000109.1A198 A219 V250 P261 M264 L282 H283 Y285A198-L275 HydrophobicContact CB-CD1 4.35Å; A219-L275 HydrophobicContact CB-CD1 3.78Å; A219-L275 HydrophobicContact CB-CD2 3.91Å; V250-L275 HydrophobicContact CG1-CD2 3.98Å; V250-L275 HydrophobicContact CG2-CD2 4.23Å; P261-L275 HydrophobicContact CB-CD1 3.9Å; P261-L275 HydrophobicContact CB-CD2 4.43Å; P261-L275 HydrophobicContact CB-CG 4.36Å; P261-L275 HydrophobicContact CG-CD2 4.47Å; M264-L275 HydrophobicContact CB-CD1 4.03Å; M264-L275 HydrophobicContact CE-CD1 3.72Å; M264-L275 HydrophobicContact CG-CD1 4.31Å; L275-L282 CarbonylContact O-C 3.52Å; L275-L282 WeakPolarHBondContact O-CA 3.3Å; L275-H283 HydrophobicContact CB-CB 4.15Å; L275-H283 PolarHBondContact N-O 3Å; L275-H283 PolarHBondContact O-N 3.46Å; L275-Y285 HydrophobicContact CB-CE2 4.41Å; L275-Y285 HydrophobicContact CD2-CE2 4.1Å
276I96.3Very high93.7Very high3 Ų320.4 Ų20.42%0.01510%0.103CC..EExtended strand (participates in β ladder)trans-109.5133.4175-66.1178.9000109.3V262 A263 Y281 L282 I298 I303 T306 I315V262-I276 PolarHBondContact N-O 3.42Å; A263-I276 HydrophobicContact CB-CB 4.39Å; A263-I276 PolarHBondContact N-O 3.35Å; A263-I276 VanDerWaalsContact N-O 3.17Å; A263-I276 PolarHBondContact O-N 2.96Å; I276-Y281 CarbonylContact C-O 3.55Å; I276-Y281 VanDerWaalsContact CA-O 3.3Å; I276-Y281 WeakPolarHBondContact CA-O 3.31Å; I276-L282 HydrophobicContact CG1-CD1 4.06Å; I276-I298 HydrophobicContact CD1-CD1 4.35Å; I276-I303 HydrophobicContact CD1-CD1 3.99Å; I276-I303 HydrophobicContact CD1-CG2 4.5Å; I276-I303 HydrophobicContact CG2-CB 4.18Å; I276-I303 HydrophobicContact CG2-CD1 4.15Å; I276-T306 HydrophobicContact CD1-CG2 4.23Å; I276-I315 HydrophobicContact CD1-CD1 3.57Å; I276-I315 HydrophobicContact CD1-CG1 4.19Å; I276-I315 HydrophobicContact CD1-CG2 4.42Å; I276-I315 HydrophobicContact CG1-CD1 4.08Å
277T95.2Very high93.6Very high0 Ų019.1 Ų19.10%010%0.096CC..EExtended strand (participates in β ladder)trans-96.6167.3176.380.30000112.5F252 D259 F260 Y279 G280 Y281 H283F252-T277 HydrophobicContact CE1-CG2 3.81Å; F252-T277 HydrophobicContact CZ-CG2 4.5Å; D259-T277 VanDerWaalsContact CG-OG1 3.27Å; D259-T277 VanDerWaalsContact OD1-CB 3.22Å; D259-T277 WeakPolarHBondContact OD1-CB 3.47Å; D259-T277 PolarHBondContact OD1-OG1 3.09Å; D259-T277 WeakPolarHBondContact OD2-CB 3.4Å; D259-T277 PolarHBondContact OD2-OG1 2.79Å; F260-T277 CarbonylContact O-C 3.57Å; F260-T277 VanDerWaalsContact O-CA 3.25Å; F260-T277 WeakPolarHBondContact O-CA 3.37Å; F260-T277 WeakPolarHBondContact O-CB 3.21Å; T277-Y279 PolarHBondContact O-N 2.85Å; T277-G280 PolarHBondContact O-N 3.39Å; T277-Y281 PolarHBondContact N-O 3.47Å; T277-Y281 WeakPolarHBondContact OG1-CB 3.16Å; T277-Y281 PolarHBondContact OG1-N 3.16Å; T277-H283 VanDerWaalsContact CG2-NE2 3.33Å; T277-H283 WeakPolarHBondContact CG2-NE2 3.41Å
278K93Very high93.5Very high67 Ų6720.9 Ų20.929%0.29110%0.104SC..THydrogen-bonded Turntrans-57.6-36.7179.4-175.767.8-176.5-173.50112.7D259 F260 V262 G280 T302D259-K278 WeakPolarHBondContact OD1-CA 3.27Å; D259-K278 VanDerWaalsContact OD1-CB 3.28Å; D259-K278 WeakPolarHBondContact OD1-CB 3.41Å; D259-K278 PolarHBondContact OD1-N 2.77Å; F260-K278 HydrophobicContact CD1-CB 4.15Å; F260-K278 HydrophobicContact CE1-CB 3.98Å; F260-K278 HydrophobicContact CE1-CD 4.26Å; F260-K278 HydrophobicContact CE1-CG 3.93Å; F260-K278 HydrophobicContact CZ-CB 4.23Å; F260-K278 HydrophobicContact CZ-CD 3.99Å; F260-K278 HydrophobicContact CZ-CG 4.16Å; F260-K278 PolarHBondContact O-N 3.39Å; V262-K278 HydrophobicContact CG2-CB 3.75Å; V262-K278 HydrophobicContact CG2-CD 3.93Å; V262-K278 HydrophobicContact CG2-CG 4.48Å; K278-G280 VanDerWaalsContact C-N 3.26Å; K278-G280 PolarHBondContact O-N 2.76Å; K278-T302 HydrophobicContact CD-CG2 3.66Å; K278-T302 VanDerWaalsContact CE-OG1 3.3Å; K278-T302 WeakPolarHBondContact CE-OG1 3.49Å; K278-T302 WeakPolarHBondContact O-CA 3.43Å; K278-T302 WeakPolarHBondContact O-CB 3.39Å; K278-T302 PolarHBondContact O-OG1 3.39Å
279Y93.1Very high93.7Very high89 Ų8918.7 Ų18.735%0.3498%0.084SC..THydrogen-bonded Turntrans-86.77.9-179.4-73.39.7000113.6A256 D259 T277 R297 S299A256-Y279 HydrophobicContact CB-CD2 3.97Å; A256-Y279 HydrophobicContact CB-CE2 4.38Å; D259-Y279 HydrophobicContact CB-CD1 4.48Å; D259-Y279 HydrophobicContact CB-CD2 4.13Å; D259-Y279 HydrophobicContact CB-CG 4.1Å; D259-Y279 PolarHBondContact OD1-N 3.35Å; T277-Y279 PolarHBondContact O-N 2.85Å; Y279-R297 PolarHBondContact O-NE 3.17Å; Y279-S299 VanDerWaalsContact O-O 3.11Å
280G92.3Very high93.8Very high0 Ų013 Ų130%06%0.06CC..SBendtrans82.422.5175.200000114T277 K278 I298 S299T277-G280 PolarHBondContact O-N 3.39Å; K278-G280 VanDerWaalsContact C-N 3.26Å; K278-G280 PolarHBondContact O-N 2.76Å; G280-I298 WeakPolarHBondContact O-CG1 3.11Å; G280-I298 PolarHBondContact O-N 3.42Å; G280-S299 PolarHBondContact O-N 3.3Å
281Y94.3Very high94.1Very high35 Ų3515.1 Ų15.114%0.1377%0.072CC..EExtended strand (participates in β ladder)trans-78.2134.1167.5-69.7-90.1000110.1P253 A256 I276 T277 R297P253-Y281 HydrophobicContact CG-CE1 4.21Å; P253-Y281 HydrophobicContact CG-CE2 4.18Å; A256-Y281 HydrophobicContact CB-CE2 4.39Å; I276-Y281 CarbonylContact C-O 3.55Å; I276-Y281 VanDerWaalsContact CA-O 3.3Å; I276-Y281 WeakPolarHBondContact CA-O 3.31Å; T277-Y281 PolarHBondContact N-O 3.47Å; T277-Y281 WeakPolarHBondContact OG1-CB 3.16Å; T277-Y281 PolarHBondContact OG1-N 3.16Å; Y281-R297 HydrophobicContact CD1-CB 3.86Å; Y281-R297 HydrophobicContact CD1-CG 4.33Å; Y281-R297 HydrophobicContact CE1-CB 3.72Å; Y281-R297 HydrophobicContact CE1-CG 4.2Å; Y281-R297 HydrophobicContact CE2-CG 4.47Å; Y281-R297 HydrophobicContact CG-CB 4.49Å
282L94.9Very high94.2Very high2 Ų216.9 Ų16.91%0.018%0.084CC..EExtended strand (participates in β ladder)trans-98.3132.3167.5176.977000108.6Y274 L275 I276 M295 N296 I298 V327Y274-L282 HydrophobicContact CD1-CD1 4.41Å; L275-L282 CarbonylContact O-C 3.52Å; L275-L282 WeakPolarHBondContact O-CA 3.3Å; I276-L282 HydrophobicContact CG1-CD1 4.06Å; L282-M295 WeakPolarHBondContact O-CA 3.44Å; L282-N296 PolarHBondContact N-O 3.41Å; L282-N296 PolarHBondContact O-N 3.38Å; L282-I298 HydrophobicContact CB-CD1 4.02Å; L282-I298 HydrophobicContact CB-CG1 4.13Å; L282-I298 HydrophobicContact CB-CG2 3.91Å; L282-I298 HydrophobicContact CD2-CG2 4.22Å; L282-V327 HydrophobicContact CD1-CG1 4.44Å; L282-V327 HydrophobicContact CD2-CB 4.14Å; L282-V327 HydrophobicContact CD2-CG1 3.35Å; L282-V327 HydrophobicContact CD2-CG2 4.01Å
283H95.1Very high94.1Very high1 Ų117.1 Ų17.11%0.0059%0.085CC..EExtended strand (participates in β ladder)trans-119.7138166.3-49.6-121.2000108.8F251 L275 T277 Y285 C294 M295F251-H283 PolarHBondContact O-CE1 3.14Å; L275-H283 HydrophobicContact CB-CB 4.15Å; L275-H283 PolarHBondContact N-O 3Å; L275-H283 PolarHBondContact O-N 3.46Å; T277-H283 VanDerWaalsContact CG2-NE2 3.33Å; T277-H283 WeakPolarHBondContact CG2-NE2 3.41Å; H283-Y285 HydrophobicContact CB-CD2 4.03Å; H283-Y285 HydrophobicContact CB-CE2 3.33Å; H283-Y285 PolarHBondContact ND1-OH 2.87Å; H283-C294 CarbonylContact C-O 3.54Å; H283-C294 WeakPolarHBondContact CA-O 3.35Å; H283-M295 HydrophobicContact CB-CG 4.41Å; H283-M295 WeakPolarHBondContact CE1-CE 3.19Å; H283-M295 VanDerWaalsContact ND1-CE 3.29Å; H283-M295 WeakPolarHBondContact ND1-CE 3.18Å
284L95.3Very high93.8Very high1 Ų117.4 Ų17.41%0.0059%0.087CC..EExtended strand (participates in β ladder)trans-115.8120174.9-158.5157.3000107.6V7 V272 I273 Y274 I293 C294 V329V7-L284 HydrophobicContact CG1-CD1 3.3Å; V272-L284 HydrophobicContact CB-CD2 3.75Å; V272-L284 HydrophobicContact CB-CG 4.43Å; V272-L284 HydrophobicContact CG1-CD2 3.83Å; V272-L284 HydrophobicContact CG2-CD2 4.36Å; I273-L284 WeakPolarHBondContact O-CA 3.3Å; Y274-L284 HydrophobicContact CD1-CD1 4.24Å; Y274-L284 HydrophobicContact CD1-CG 4.41Å; Y274-L284 HydrophobicContact CE1-CD1 3.86Å; Y274-L284 HydrophobicContact CE1-CG 4.39Å; L284-I293 HydrophobicContact CB-CB 4.49Å; L284-I293 HydrophobicContact CD2-CB 3.75Å; L284-I293 HydrophobicContact CD2-CD1 3.43Å; L284-I293 VanDerWaalsContact CD2-CD1 3.43Å; L284-I293 HydrophobicContact CD2-CG1 4.11Å; L284-I293 HydrophobicContact CD2-CG2 4.11Å; L284-I293 PolarHBondContact O-N 3.47Å; L284-C294 HydrophobicContact CB-CB 4.07Å; L284-C294 PolarHBondContact N-O 3.38Å; L284-C294 PolarHBondContact O-N 3.02Å; L284-V329 HydrophobicContact CD1-CG2 4.11Å
285Y95.6Very high93.6Very high1 Ų120.6 Ų20.60%0.00410%0.103CC..EExtended strand (participates in β ladder)trans-116.5150.3176.8-62.2-92.2000110.8L228 V250 V272 I273 L275 H283 G290 V291 C292L228-Y285 HydrophobicContact CD2-CD1 3.84Å; L228-Y285 HydrophobicContact CD2-CD2 3.71Å; L228-Y285 HydrophobicContact CD2-CE1 4.34Å; L228-Y285 HydrophobicContact CD2-CE2 4.2Å; L228-Y285 HydrophobicContact CD2-CG 3.52Å; V250-Y285 WeakPolarHBondContact CA-OH 3.35Å; V272-Y285 CarbonylContact C-O 3.56Å; V272-Y285 VanDerWaalsContact CA-O 3.27Å; V272-Y285 WeakPolarHBondContact CA-O 3.36Å; I273-Y285 PolarHBondContact N-O 3.47Å; I273-Y285 PolarHBondContact O-N 3.35Å; L275-Y285 HydrophobicContact CB-CE2 4.41Å; L275-Y285 HydrophobicContact CD2-CE2 4.1Å; H283-Y285 HydrophobicContact CB-CD2 4.03Å; H283-Y285 HydrophobicContact CB-CE2 3.33Å; H283-Y285 PolarHBondContact ND1-OH 2.87Å; Y285-G290 WeakPolarHBondContact CD1-O 3.34Å; Y285-V291 CarbonylContact C-O 3.52Å; Y285-V291 VanDerWaalsContact CA-O 3.32Å; Y285-V291 WeakPolarHBondContact CA-O 3.43Å; Y285-C292 VanDerWaalsContact CD1-CA 3.5Å; Y285-C292 HydrophobicContact CD1-CB 3.74Å; Y285-C292 HydrophobicContact CE1-CB 3.48Å; Y285-C292 VanDerWaalsContact CE1-CB 3.48Å
286D94.6Very high93.3Very high1 Ų124.1 Ų24.11%0.00512%0.122CC..EExtended strand (participates in β ladder)trans-73.9132.2166173.144.2000110.4E288 S289 G290 V291 I293 L347 R354D286-E288 VanDerWaalsContact C-N 3.33Å; D286-E288 PolarHBondContact O-N 3.25Å; D286-E288 PolarHBondContact OD1-N 3.27Å; D286-S289 VanDerWaalsContact OD2-CB 3.26Å; D286-S289 WeakPolarHBondContact OD2-CB 3.42Å; D286-S289 PolarHBondContact OD2-N 3.12Å; D286-S289 PolarHBondContact OD2-OG 3.48Å; D286-G290 WeakPolarHBondContact O-CA 3.45Å; D286-G290 PolarHBondContact O-N 3.28Å; D286-V291 PolarHBondContact N-O 3.31Å; D286-I293 HydrophobicContact CB-CD1 4.13Å; D286-L347 HydrophobicContact CB-CD1 3.9Å; D286-R354 IonicContact OD1-CZ 2.86Å; D286-R354 VanDerWaalsContact OD1-CZ 3.28Å; D286-R354 IonicContact OD1-NH1 3.13Å; D286-R354 PolarHBondContact OD1-NH1 2.85Å; D286-R354 IonicContact OD1-NH2 3.97Å; D286-R354 PolarHBondContact OD1-NH2 3.3Å
287L93.9Very high93.1Very high2 Ų229.6 Ų29.61%0.0114%0.142CC..THydrogen-bonded Turntrans-68.8-30.1-178.2-179.761000112.9A202 F204 L215 C217 I230 I266 G271 I273A202-L287 HydrophobicContact CB-CD2 4Å; F204-L287 HydrophobicContact CB-CD2 4.17Å; F204-L287 HydrophobicContact CD2-CD2 3.63Å; F204-L287 HydrophobicContact CD2-CG 4.21Å; F204-L287 HydrophobicContact CE2-CD2 4.36Å; F204-L287 HydrophobicContact CG-CD2 4.15Å; L215-L287 HydrophobicContact CD1-CD1 4.13Å; L215-L287 HydrophobicContact CD1-CD2 4.44Å; L215-L287 HydrophobicContact CD1-CG 4.08Å; C217-L287 WeakPolarHBondContact SG-CD1 3.42Å; I230-L287 WeakPolarHBondContact CD1-O 3.41Å; I230-L287 HydrophobicContact CG2-CD1 4.28Å; I266-L287 HydrophobicContact CD1-CD1 4.31Å; I266-L287 HydrophobicContact CG2-CD2 3.92Å; G271-L287 WeakPolarHBondContact O-CB 3.24Å; G271-L287 PolarHBondContact O-N 3.5Å; I273-L287 HydrophobicContact CD1-CD1 3.84Å; I273-L287 HydrophobicContact CG1-CB 4.32Å; I273-L287 HydrophobicContact CG1-CD1 3.89Å
288E91.3Very high93Very high38 Ų3830.9 Ų30.918%0.17815%0.149CC..THydrogen-bonded Turntrans-84-48-174.3-173.2-168.3140.300112.3F204 F243 D286 R350 R354F204-E288 HydrophobicContact CE1-CB 4.09Å; F204-E288 HydrophobicContact CE1-CG 3.94Å; F204-E288 HydrophobicContact CE2-CB 4.47Å; F204-E288 HydrophobicContact CZ-CB 3.69Å; F204-E288 HydrophobicContact CZ-CG 3.89Å; F243-E288 WeakPolarHBondContact CZ-O 3.33Å; D286-E288 VanDerWaalsContact C-N 3.33Å; D286-E288 PolarHBondContact O-N 3.25Å; D286-E288 PolarHBondContact OD1-N 3.27Å; E288-R350 IonicContact OE1-NH1 2.88Å; E288-R350 PolarHBondContact OE1-NH1 3.5Å; E288-R350 VanDerWaalsContact OE1-NH1 3.14Å; E288-R354 VanDerWaalsContact CB-NH1 3.34Å; E288-R354 IonicContact OE2-NH1 3.2Å; E288-R354 PolarHBondContact OE2-NH1 3.25Å
289S89.8Confident93Very high29 Ų2928 Ų2820%0.20314%0.137CC..THydrogen-bonded Turntrans-93.9-24.5-178.265.40000113.5D286 V291D286-S289 VanDerWaalsContact OD2-CB 3.26Å; D286-S289 WeakPolarHBondContact OD2-CB 3.42Å; D286-S289 PolarHBondContact OD2-N 3.12Å; D286-S289 PolarHBondContact OD2-OG 3.48Å; S289-V291 VanDerWaalsContact C-N 3.26Å; S289-V291 WeakPolarHBondContact OG-CB 3.4Å; S289-V291 VanDerWaalsContact OG-CG2 3.32Å; S289-V291 WeakPolarHBondContact OG-CG2 3.49Å; S289-V291 PolarHBondContact OG-N 3.41Å
290G91.5Very high92.9Very high0 Ų026.9 Ų26.90%015%0.146CC..  trans76.76.1-169.600000114V248 Y285 D286 C292V248-G290 WeakPolarHBondContact CG1-O 3.24Å; V248-G290 WeakPolarHBondContact CG2-O 3.26Å; Y285-G290 WeakPolarHBondContact CD1-O 3.34Å; D286-G290 WeakPolarHBondContact O-CA 3.45Å; D286-G290 PolarHBondContact O-N 3.28Å; G290-C292 PolarHBondContact O-N 3.05Å
291V93Very high92.9Very high45 Ų4529 Ų2927%0.27316%0.158SC..  trans-65.1133.9-179.5172.40000110.4Y285 D286 S289 I293 L342 L347Y285-V291 CarbonylContact C-O 3.52Å; Y285-V291 VanDerWaalsContact CA-O 3.32Å; Y285-V291 WeakPolarHBondContact CA-O 3.43Å; D286-V291 PolarHBondContact N-O 3.31Å; S289-V291 VanDerWaalsContact C-N 3.26Å; S289-V291 WeakPolarHBondContact OG-CB 3.4Å; S289-V291 VanDerWaalsContact OG-CG2 3.32Å; S289-V291 WeakPolarHBondContact OG-CG2 3.49Å; S289-V291 PolarHBondContact OG-N 3.41Å; V291-I293 PolarHBondContact O-N 3.41Å; V291-L342 HydrophobicContact CG1-CD2 4.29Å; V291-L347 HydrophobicContact CB-CD2 4.31Å; V291-L347 HydrophobicContact CG1-CD2 3.93Å
292C93.6Very high92.8Very high41 Ų4128.1 Ų28.128%0.27716%0.156SC..EExtended strand (participates in β ladder)trans-73119173.7-164.50000110Y285 G290 M295 L342Y285-C292 VanDerWaalsContact CD1-CA 3.5Å; Y285-C292 HydrophobicContact CD1-CB 3.74Å; Y285-C292 HydrophobicContact CE1-CB 3.48Å; Y285-C292 VanDerWaalsContact CE1-CB 3.48Å; G290-C292 PolarHBondContact O-N 3.05Å; C292-M295 WeakPolarHBondContact SG-CG 3.44Å; C292-L342 WeakPolarHBondContact O-CD1 3.28Å
293I91.8Very high92.8Very high4 Ų428.1 Ų28.12%0.02116%0.156CC..EExtended strand (participates in β ladder)trans-88.1-50.9179.3-64.9165.3000110.2P6 V272 L284 D286 V291 Y337 L342 L347 L351P6-I293 HydrophobicContact CB-CG2 4.35Å; P6-I293 HydrophobicContact CG-CG2 4.37Å; V272-I293 HydrophobicContact CG1-CD1 4.21Å; L284-I293 HydrophobicContact CB-CB 4.49Å; L284-I293 HydrophobicContact CD2-CB 3.75Å; L284-I293 HydrophobicContact CD2-CD1 3.43Å; L284-I293 VanDerWaalsContact CD2-CD1 3.43Å; L284-I293 HydrophobicContact CD2-CG1 4.11Å; L284-I293 HydrophobicContact CD2-CG2 4.11Å; L284-I293 PolarHBondContact O-N 3.47Å; D286-I293 HydrophobicContact CB-CD1 4.13Å; V291-I293 PolarHBondContact O-N 3.41Å; I293-Y337 HydrophobicContact CG2-CD1 4.43Å; I293-Y337 VanDerWaalsContact O-CE1 3.29Å; I293-Y337 WeakPolarHBondContact O-CE1 3.46Å; I293-L342 WeakPolarHBondContact O-CD1 3.47Å; I293-L347 HydrophobicContact CG1-CD2 3.99Å; I293-L351 HydrophobicContact CD1-CD1 4.24Å
294C91.3Very high92.7Very high6 Ų629.2 Ų29.24%0.04116%0.161CC..EExtended strand (participates in β ladder)trans-144.3144.7-173.6-172.90000110.8P6 H283 L284P6-C294 HydrophobicContact CG-CB 3.57Å; H283-C294 CarbonylContact C-O 3.54Å; H283-C294 WeakPolarHBondContact CA-O 3.35Å; L284-C294 HydrophobicContact CB-CB 4.07Å; L284-C294 PolarHBondContact N-O 3.38Å; L284-C294 PolarHBondContact O-N 3.02Å
295M91.8Very high92.7Very high67 Ų6730.1 Ų30.133%0.3317%0.166SC..EExtended strand (participates in β ladder)trans-136.5123.8172.1-69-172.950.700109.2F251 L282 H283 C292F251-M295 HydrophobicContact CB-CE 3.88Å; F251-M295 HydrophobicContact CB-SD 3.9Å; F251-M295 HydrophobicContact CD1-CE 3.51Å; F251-M295 HydrophobicContact CD1-SD 4.24Å; F251-M295 HydrophobicContact CG-CE 4.17Å; F251-M295 HydrophobicContact CG-SD 4.5Å; L282-M295 WeakPolarHBondContact O-CA 3.44Å; H283-M295 HydrophobicContact CB-CG 4.41Å; H283-M295 WeakPolarHBondContact CE1-CE 3.19Å; H283-M295 VanDerWaalsContact ND1-CE 3.29Å; H283-M295 WeakPolarHBondContact ND1-CE 3.18Å; C292-M295 WeakPolarHBondContact SG-CG 3.44Å
296N91.6Very high92.7Very high75 Ų7530.6 Ų30.640%0.40117%0.169SC..EExtended strand (participates in β ladder)trans-152.3150.9177-159.12.4000111.4L282L282-N296 PolarHBondContact N-O 3.41Å; L282-N296 PolarHBondContact O-N 3.38Å
297R92.6Very high92.7Very high118 Ų11830.6 Ų30.645%0.44517%0.169SC..EExtended strand (participates in β ladder)trans-86.1113.4172.5-166.5176.8-178.2-176.8-0.6109.1Y279 Y281 S299 A300Y279-R297 PolarHBondContact O-NE 3.17Å; Y281-R297 HydrophobicContact CD1-CB 3.86Å; Y281-R297 HydrophobicContact CD1-CG 4.33Å; Y281-R297 HydrophobicContact CE1-CB 3.72Å; Y281-R297 HydrophobicContact CE1-CG 4.2Å; Y281-R297 HydrophobicContact CE2-CG 4.47Å; Y281-R297 HydrophobicContact CG-CB 4.49Å; R297-S299 PolarHBondContact NE-O 3.26Å; R297-A300 PolarHBondContact NH2-O 3.27Å
298I93.1Very high92.7Very high27 Ų2733.1 Ų33.114%0.13819%0.185CC..  trans-99.3-19.6-176.758.6166.4000113F9 I276 G280 L282 I303 V327F9-I298 HydrophobicContact CD2-CB 4.25Å; F9-I298 HydrophobicContact CD2-CG2 4.26Å; F9-I298 HydrophobicContact CE2-CB 3.93Å; F9-I298 HydrophobicContact CE2-CG2 4.44Å; I276-I298 HydrophobicContact CD1-CD1 4.35Å; G280-I298 WeakPolarHBondContact O-CG1 3.11Å; G280-I298 PolarHBondContact O-N 3.42Å; L282-I298 HydrophobicContact CB-CD1 4.02Å; L282-I298 HydrophobicContact CB-CG1 4.13Å; L282-I298 HydrophobicContact CB-CG2 3.91Å; L282-I298 HydrophobicContact CD2-CG2 4.22Å; I298-I303 HydrophobicContact CD1-CD1 3.72Å; I298-I303 HydrophobicContact CG1-CD1 4.19Å; I298-V327 HydrophobicContact CD1-CG2 3.84Å; I298-V327 HydrophobicContact CG2-CG2 4.44Å
299S93.3Very high92.9Very high7 Ų732.4 Ų32.45%0.04918%0.182CC..  trans-142.7141.3179.3-1790000110.3Y279 G280 R297 D301 N319Y279-S299 VanDerWaalsContact O-O 3.11Å; G280-S299 PolarHBondContact O-N 3.3Å; R297-S299 PolarHBondContact NE-O 3.26Å; S299-D301 VanDerWaalsContact C-N 3.33Å; S299-D301 WeakPolarHBondContact CB-O 3.41Å; S299-D301 PolarHBondContact OG-N 2.93Å; S299-D301 PolarHBondContact OG-O 3.08Å; S299-N319 PolarHBondContact OG-ND2 3.4Å; S299-N319 VanDerWaalsContact OG-ND2 3.13Å
300A89.6Confident92.9Very high65 Ų6537.4 Ų37.454%0.53720%0.2SC..SBendtrans-73.6-32.417000000111.2R297R297-A300 PolarHBondContact NH2-O 3.27Å
301D91.9Very high92.9Very high45 Ų4541.9 Ų41.924%0.24123%0.23CC..SBendtrans-102.4154.5-176.5-65.9-77.9000111.8S299 I303 N319 K320 K321S299-D301 VanDerWaalsContact C-N 3.33Å; S299-D301 WeakPolarHBondContact CB-O 3.41Å; S299-D301 PolarHBondContact OG-N 2.93Å; S299-D301 PolarHBondContact OG-O 3.08Å; D301-I303 PolarHBondContact O-N 3.14Å; D301-N319 HydrophobicContact CB-CB 4.38Å; D301-K320 HydrophobicContact CB-CB 4.31Å; D301-K321 WeakPolarHBondContact OD2-CD 3.39Å; D301-K321 WeakPolarHBondContact OD2-CE 3.44Å; D301-K321 VanDerWaalsContact OD2-CG 3.31Å; D301-K321 WeakPolarHBondContact OD2-CG 3.37Å; D301-K321 IonicContact OD2-NZ 2.61Å; D301-K321 PolarHBondContact OD2-NZ 3.22Å
302T92.8Very high92.8Very high16 Ų1641.6 Ų41.610%0.09823%0.228CC..  trans-61.1127.9177.5-57.80000111.4K278 F304 N319 K320K278-T302 HydrophobicContact CD-CG2 3.66Å; K278-T302 VanDerWaalsContact CE-OG1 3.3Å; K278-T302 WeakPolarHBondContact CE-OG1 3.49Å; K278-T302 WeakPolarHBondContact O-CA 3.43Å; K278-T302 WeakPolarHBondContact O-CB 3.39Å; K278-T302 PolarHBondContact O-OG1 3.39Å; T302-F304 HydrophobicContact CG2-CB 4.41Å; T302-F304 PolarHBondContact O-N 2.87Å; T302-N319 WeakPolarHBondContact O-CA 3.34Å; T302-K320 PolarHBondContact O-N 2.89Å
303I95.8Very high92.8Very high2 Ų240.6 Ų40.61%0.0122%0.221CC..EExtended strand (participates in β ladder)trans-81.1103.7163.3-59.7168.4000106.9I276 I298 D301 T306 V318 N319 L325I276-I303 HydrophobicContact CD1-CD1 3.99Å; I276-I303 HydrophobicContact CD1-CG2 4.5Å; I276-I303 HydrophobicContact CG2-CB 4.18Å; I276-I303 HydrophobicContact CG2-CD1 4.15Å; I298-I303 HydrophobicContact CD1-CD1 3.72Å; I298-I303 HydrophobicContact CG1-CD1 4.19Å; D301-I303 PolarHBondContact O-N 3.14Å; I303-T306 HydrophobicContact CG2-CG2 3.65Å; I303-V318 WeakPolarHBondContact CA-O 3.25Å; I303-N319 HydrophobicContact CG1-CB 4.05Å; I303-L325 HydrophobicContact CD1-CD1 4.42Å
304F93.1Very high92.9Very high24 Ų2440.6 Ų40.611%0.10522%0.222CC..EExtended strand (participates in β ladder)trans-94.5-18.7-169.462.6-95.4000113.4I25 F27 L30 T302 V318 K320I25-F304 HydrophobicContact CG2-CE1 3.97Å; I25-F304 HydrophobicContact CG2-CZ 4.07Å; F27-F304 HydrophobicContact CB-CD2 4.02Å; F27-F304 HydrophobicContact CD2-CD2 4.47Å; L30-F304 HydrophobicContact CB-CE2 4.16Å; L30-F304 HydrophobicContact CB-CZ 4.2Å; L30-F304 HydrophobicContact CD1-CZ 4.37Å; L30-F304 HydrophobicContact CD2-CE2 3.93Å; L30-F304 HydrophobicContact CD2-CZ 4.03Å; L30-F304 HydrophobicContact CG-CZ 4.43Å; T302-F304 HydrophobicContact CG2-CB 4.41Å; T302-F304 PolarHBondContact O-N 2.87Å; F304-V318 HydrophobicContact CE1-CG1 4.43Å; F304-V318 HydrophobicContact CZ-CG1 4.32Å; F304-V318 PolarHBondContact N-O 3.24Å; F304-K320 HydrophobicContact CD1-CG 4.08Å
305V94Very high93.2Very high19 Ų1940.4 Ų40.412%0.11522%0.221CC..EExtended strand (participates in β ladder)trans-132.9140.1174.968.30000109.3L30 M32 G317 V318L30-V305 HydrophobicContact CD2-CG1 3.62Å; M32-V305 HydrophobicContact CB-CG1 4.08Å; M32-V305 HydrophobicContact CB-CG2 3.76Å; M32-V305 HydrophobicContact CE-CG1 4.47Å; V305-G317 WeakPolarHBondContact O-CA 3.49Å; V305-V318 HydrophobicContact CG1-CB 3.83Å; V305-V318 HydrophobicContact CG1-CG2 4.13Å; V305-V318 PolarHBondContact O-N 2.88Å; V305-V318 VanDerWaalsContact O-N 3.08Å
306T95.8Very high93.4Very high12 Ų1237.3 Ų37.37%0.07421%0.206CC..EExtended strand (participates in β ladder)trans-143.3149.7-179.663.70000110.9A263 I276 I303 I315 I316A263-T306 HydrophobicContact CB-CG2 3.61Å; A263-T306 WeakPolarHBondContact CB-OG1 3.33Å; I276-T306 HydrophobicContact CD1-CG2 4.23Å; I303-T306 HydrophobicContact CG2-CG2 3.65Å; T306-I315 HydrophobicContact CG2-CD1 4.14Å; T306-I315 HydrophobicContact CG2-CG1 4.44Å; T306-I316 CarbonylContact C-O 2.81Å; T306-I316 WeakPolarHBondContact CA-O 3.11Å
307A95.1Very high93.6Very high1 Ų133.9 Ų33.91%0.00819%0.188CC..EExtended strand (participates in β ladder)trans-134.8158.2172.700000109.9M32 H309 I316M32-A307 HydrophobicContact CE-CB 3.91Å; M32-A307 HydrophobicContact CG-CB 4.42Å; A307-H309 PolarHBondContact O-N 3.23Å; A307-I316 HydrophobicContact CB-CG2 4.03Å; A307-I316 PolarHBondContact N-O 3.32Å; A307-I316 WeakPolarHBondContact O-CG2 3.07Å; A307-I316 PolarHBondContact O-N 3.26Å
308P94.4Very high93.8Very high54 Ų5428.2 Ų28.235%0.35117%0.166SC..EExtended strand (participates in β ladder)trans-66132.2168.428.4-33.6000109.7K310P308-K310 PolarHBondContact O-N 3.27Å
309H95.2Very high94Very high24 Ų2427 Ų2711%0.11116%0.16CC..EExtended strand (participates in β ladder)trans-90.799.5171.8-168.632.3000109.1D35 A307 T312 S313 G314 I316D35-H309 WeakPolarHBondContact OD2-CA 3.33Å; D35-H309 IonicContact OD2-CE1 2.74Å; D35-H309 IonicContact OD2-CG 2.75Å; D35-H309 IonicContact OD2-ND1 2.85Å; D35-H309 PolarHBondContact OD2-ND1 2.99Å; A307-H309 PolarHBondContact O-N 3.23Å; H309-T312 PolarHBondContact CD2-OG1 2.8Å; H309-S313 WeakPolarHBondContact O-CA 3.33Å; H309-S313 PolarHBondContact O-N 3.16Å; H309-S313 VanDerWaalsContact O-N 3.08Å; H309-G314 PolarHBondContact N-O 3.11Å; H309-G314 PolarHBondContact O-N 3.34Å; H309-I316 HydrophobicContact CB-CB 4.16Å; H309-I316 HydrophobicContact CB-CG2 4.14Å
310K90Very high93.9Very high133 Ų13332 Ų3258%0.57818%0.181SC*.THydrogen-bonded Turntrans-64.1-45.7-169.6-66.9-178.6177.4-179.70113.4D35 P308 T312 S313D35-K310 PolarHBondContact OD2-N 3.5Å; P308-K310 PolarHBondContact O-N 3.27Å; K310-T312 VanDerWaalsContact C-N 3.29Å; K310-T312 PolarHBondContact O-N 3.3Å; K310-S313 PolarHBondContact O-N 3.37Å
311P90.2Very high94.1Very high95 Ų9534 Ų3462%0.61718%0.177SC*.THydrogen-bonded Turntrans-57.2-38.2-177.4-26.434.9000114.2D35D35-P311 WeakPolarHBondContact OD2-CD 3.5Å
312T91.2Very high94.1Very high38 Ų3831.8 Ų31.823%0.23317%0.166CC..THydrogen-bonded Turntrans-107.66.9-175.6680000113.3H309 K310 G314 C328H309-T312 PolarHBondContact CD2-OG1 2.8Å; K310-T312 VanDerWaalsContact C-N 3.29Å; K310-T312 PolarHBondContact O-N 3.3Å; T312-G314 PolarHBondContact O-N 3.05Å; T312-C328 VanDerWaalsContact OG1-CB 3.27Å; T312-C328 WeakPolarHBondContact OG1-CB 3.42Å
313S93.6Very high94.3Very high21 Ų2133.3 Ų33.315%0.14717%0.172CC..THydrogen-bonded Turntrans47.845.5-170.9-153.20000112.9G267 A268 K269 Y274 H309 K310G267-S313 WeakPolarHBondContact CA-O 3.28Å; G267-S313 WeakPolarHBondContact CA-OG 3.14Å; A268-S313 PolarHBondContact N-OG 2.99Å; K269-S313 WeakPolarHBondContact CB-OG 3.44Å; K269-S313 PolarHBondContact N-OG 3.3Å; Y274-S313 VanDerWaalsContact CE2-O 3.31Å; Y274-S313 WeakPolarHBondContact CE2-O 3.49Å; Y274-S313 PolarHBondContact OH-O 3.16Å; H309-S313 WeakPolarHBondContact O-CA 3.33Å; H309-S313 PolarHBondContact O-N 3.16Å; H309-S313 VanDerWaalsContact O-N 3.08Å; K310-S313 PolarHBondContact O-N 3.37Å
314G94.8Very high94.3Very high4 Ų433.2 Ų33.24%0.04117%0.171CC..EExtended strand (participates in β ladder)trans-117.4-162.1-173.700000113.6H309 T312 V327H309-G314 PolarHBondContact N-O 3.11Å; H309-G314 PolarHBondContact O-N 3.34Å; T312-G314 PolarHBondContact O-N 3.05Å; G314-V327 CarbonylContact C-O 3.54Å; G314-V327 VanDerWaalsContact CA-O 3.28Å; G314-V327 WeakPolarHBondContact CA-O 3.12Å
315I96.4Very high94.5Very high2 Ų232.4 Ų32.41%0.0117%0.168CC..EExtended strand (participates in β ladder)trans-121.4136.4172.3-174.7164.3000109.2Q265 Y274 I276 T306 S326 V327Q265-I315 HydrophobicContact CB-CB 4.34Å; Q265-I315 HydrophobicContact CB-CD1 4.04Å; Q265-I315 HydrophobicContact CB-CG1 4.33Å; Q265-I315 HydrophobicContact CG-CB 4.32Å; Q265-I315 HydrophobicContact CG-CD1 3.58Å; Q265-I315 HydrophobicContact CG-CG1 3.81Å; Y274-I315 HydrophobicContact CD1-CG2 4.11Å; Y274-I315 HydrophobicContact CG-CB 4.36Å; Y274-I315 HydrophobicContact CG-CG2 3.99Å; I276-I315 HydrophobicContact CD1-CD1 3.57Å; I276-I315 HydrophobicContact CD1-CG1 4.19Å; I276-I315 HydrophobicContact CD1-CG2 4.42Å; I276-I315 HydrophobicContact CG1-CD1 4.08Å; T306-I315 HydrophobicContact CG2-CD1 4.14Å; T306-I315 HydrophobicContact CG2-CG1 4.44Å; I315-S326 CarbonylContact O-C 3.5Å; I315-S326 VanDerWaalsContact O-CA 3.26Å; I315-S326 WeakPolarHBondContact O-CA 3.22Å; I315-V327 HydrophobicContact CG2-CB 3.98Å; I315-V327 PolarHBondContact N-O 3.37Å; I315-V327 PolarHBondContact O-N 2.82Å
316I97.1Very high94.6Very high2 Ų231.6 Ų31.61%0.0116%0.163CC..EExtended strand (participates in β ladder)trans-120.1144.3171-175.8164.7000108.8M32 D35 M55 T306 A307 H309 V324 L325M32-I316 HydrophobicContact CE-CG2 4.2Å; M32-I316 WeakPolarHBondContact CE-O 3.34Å; D35-I316 HydrophobicContact CB-CG2 3.84Å; M55-I316 HydrophobicContact CE-CD1 3.88Å; T306-I316 CarbonylContact C-O 2.81Å; T306-I316 WeakPolarHBondContact CA-O 3.11Å; A307-I316 HydrophobicContact CB-CG2 4.03Å; A307-I316 PolarHBondContact N-O 3.32Å; A307-I316 WeakPolarHBondContact O-CG2 3.07Å; A307-I316 PolarHBondContact O-N 3.26Å; H309-I316 HydrophobicContact CB-CB 4.16Å; H309-I316 HydrophobicContact CB-CG2 4.14Å; I316-V324 HydrophobicContact CD1-CG1 3.97Å; I316-V324 HydrophobicContact CG1-CG1 4.16Å; I316-L325 CarbonylContact C-O 3.57Å; I316-L325 WeakPolarHBondContact CA-O 3.49Å
317G96.4Very high94.6Very high2 Ų231.2 Ų31.22%0.02116%0.161CC..EExtended strand (participates in β ladder)trans-155.1159.8-176.200000113.4V305 L325V305-G317 WeakPolarHBondContact O-CA 3.49Å; G317-L325 PolarHBondContact N-O 3.23Å; G317-L325 PolarHBondContact O-N 3.4Å
318V97Very high94.5Very high0 Ų031.4 Ų31.40%016%0.162CC..EExtended strand (participates in β ladder)trans-115.3129.2175-174.80000109.4L15 I25 L30 M32 I38 I303 F304 V305 Q323 V324L15-V318 HydrophobicContact CD1-CG1 3.59Å; I25-V318 HydrophobicContact CG2-CG1 4.4Å; L30-V318 HydrophobicContact CD1-CG1 4.19Å; L30-V318 HydrophobicContact CD2-CB 4.35Å; L30-V318 HydrophobicContact CD2-CG1 4.49Å; L30-V318 HydrophobicContact CD2-CG2 4.33Å; M32-V318 HydrophobicContact SD-CG2 4.01Å; I38-V318 HydrophobicContact CD1-CG2 4.1Å; I303-V318 WeakPolarHBondContact CA-O 3.25Å; F304-V318 HydrophobicContact CE1-CG1 4.43Å; F304-V318 HydrophobicContact CZ-CG1 4.32Å; F304-V318 PolarHBondContact N-O 3.24Å; V305-V318 HydrophobicContact CG1-CB 3.83Å; V305-V318 HydrophobicContact CG1-CG2 4.13Å; V305-V318 PolarHBondContact O-N 2.88Å; V305-V318 VanDerWaalsContact O-N 3.08Å; V318-Q323 WeakPolarHBondContact CA-O 3.36Å; V318-V324 HydrophobicContact CG2-CG2 4.22Å
319N95.4Very high94.5Very high0 Ų029.1 Ų29.10%015%0.147CC..EExtended strand (participates in β ladder)trans-92.8168.7174.876.69.2000112.4I25 S299 D301 T302 I303 K321 G322 Q323I25-N319 WeakPolarHBondContact CG2-O 3.34Å; S299-N319 PolarHBondContact OG-ND2 3.4Å; S299-N319 VanDerWaalsContact OG-ND2 3.13Å; D301-N319 HydrophobicContact CB-CB 4.38Å; T302-N319 WeakPolarHBondContact O-CA 3.34Å; I303-N319 HydrophobicContact CG1-CB 4.05Å; N319-K321 PolarHBondContact O-N 2.88Å; N319-K321 VanDerWaalsContact O-N 3.16Å; N319-K321 WeakPolarHBondContact OD1-CA 3.46Å; N319-K321 WeakPolarHBondContact OD1-CB 3.18Å; N319-K321 PolarHBondContact OD1-N 3.39Å; N319-G322 PolarHBondContact O-N 3.49Å; N319-G322 PolarHBondContact OD1-N 3.35Å; N319-G322 VanDerWaalsContact OD1-N 3.11Å; N319-Q323 PolarHBondContact N-O 3.02Å; N319-Q323 PolarHBondContact ND2-OE1 3.4Å; N319-Q323 WeakPolarHBondContact OD1-CB 3.43Å; N319-Q323 PolarHBondContact OD1-N 3.44Å
320K93.1Very high94.3Very high114 Ų11429.2 Ų29.250%0.49615%0.147SC..THydrogen-bonded Turntrans-61.2-21.1179-69.6-171171.9-169.70114.8D301 T302 F304D301-K320 HydrophobicContact CB-CB 4.31Å; T302-K320 PolarHBondContact O-N 2.89Å; F304-K320 HydrophobicContact CD1-CG 4.08Å
321K92.3Very high94.2Very high105 Ų10526.3 Ų26.346%0.45714%0.136SC..THydrogen-bonded Turntrans-78.9-10173.6-80.5-176.3178167.10113.1Q14 Q16 D301 N319 Q323Q14-K321 PolarHBondContact NE2-O 2.72Å; Q14-K321 PolarHBondContact OE1-O 3.44Å; Q16-K321 PolarHBondContact NE2-O 3.04Å; D301-K321 WeakPolarHBondContact OD2-CD 3.39Å; D301-K321 WeakPolarHBondContact OD2-CE 3.44Å; D301-K321 VanDerWaalsContact OD2-CG 3.31Å; D301-K321 WeakPolarHBondContact OD2-CG 3.37Å; D301-K321 IonicContact OD2-NZ 2.61Å; D301-K321 PolarHBondContact OD2-NZ 3.22Å; N319-K321 PolarHBondContact O-N 2.88Å; N319-K321 VanDerWaalsContact O-N 3.16Å; N319-K321 WeakPolarHBondContact OD1-CA 3.46Å; N319-K321 WeakPolarHBondContact OD1-CB 3.18Å; N319-K321 PolarHBondContact OD1-N 3.39Å; K321-Q323 HydrophobicContact CB-CG 4.38Å
322G93.5Very high94Very high0 Ų027 Ų270%013%0.134CC..  trans929.1-178.300000114.6Q14 L15 N319Q14-G322 PolarHBondContact OE1-O 2.96Å; L15-G322 WeakPolarHBondContact CB-O 3.3Å; L15-G322 VanDerWaalsContact CG-O 3.24Å; L15-G322 WeakPolarHBondContact CG-O 3.49Å; L15-G322 PolarHBondContact N-O 2.94Å; N319-G322 PolarHBondContact O-N 3.49Å; N319-G322 PolarHBondContact OD1-N 3.35Å; N319-G322 VanDerWaalsContact OD1-N 3.11Å
323Q95.8Very high93.8Very high48 Ų4827.8 Ų27.822%0.22414%0.137CC..EExtended strand (participates in β ladder)trans-77.7128.8-179.8-57.4179.7-73.600108.8E11 Q14 V318 N319 K321 L325E11-Q323 PolarHBondContact OE1-NE2 2.9Å; E11-Q323 PolarHBondContact OE2-NE2 2.89Å; Q14-Q323 VanDerWaalsContact OE1-CA 3.25Å; Q14-Q323 VanDerWaalsContact OE1-CG 3.31Å; V318-Q323 WeakPolarHBondContact CA-O 3.36Å; N319-Q323 PolarHBondContact N-O 3.02Å; N319-Q323 PolarHBondContact ND2-OE1 3.4Å; N319-Q323 WeakPolarHBondContact OD1-CB 3.43Å; N319-Q323 PolarHBondContact OD1-N 3.44Å; K321-Q323 HydrophobicContact CB-CG 4.38Å; Q323-L325 HydrophobicContact CB-CD2 3.86Å; Q323-L325 HydrophobicContact CB-CG 4.02Å
324V96.4Very high93.6Very high0 Ų026.8 Ų26.80%013%0.13CC..EExtended strand (participates in β ladder)trans-92.3102.9173.8-173.10000108H12 F13 L15 I38 M55 I316 V318H12-V324 HydrophobicContact CB-CB 4.34Å; H12-V324 HydrophobicContact CB-CG1 4.3Å; H12-V324 PolarHBondContact N-O 2.75Å; F13-V324 HydrophobicContact CD2-CG2 4.03Å; F13-V324 HydrophobicContact CE1-CG2 4.46Å; F13-V324 HydrophobicContact CE2-CG2 3.66Å; F13-V324 HydrophobicContact CZ-CB 4.46Å; F13-V324 HydrophobicContact CZ-CG2 3.89Å; F13-V324 PolarHBondContact O-N 2.89Å; L15-V324 HydrophobicContact CD2-CG2 4.38Å; L15-V324 HydrophobicContact CG-CG2 4.13Å; I38-V324 HydrophobicContact CD1-CG1 4.24Å; I38-V324 HydrophobicContact CD1-CG2 3.75Å; M55-V324 HydrophobicContact CE-CG1 4Å; I316-V324 HydrophobicContact CD1-CG1 3.97Å; I316-V324 HydrophobicContact CG1-CG1 4.16Å; V318-V324 HydrophobicContact CG2-CG2 4.22Å
325L96.2Very high93.2Very high6 Ų626.6 Ų26.63%0.03113%0.128CC..EExtended strand (participates in β ladder)trans-108.7137.3-172-56.6178.8000110.1F9 Q10 E11 I303 I316 G317 Q323F9-L325 HydrophobicContact CE2-CB 4.07Å; F9-L325 HydrophobicContact CE2-CD1 4.17Å; F9-L325 HydrophobicContact CE2-CD2 4.04Å; F9-L325 HydrophobicContact CE2-CG 4.31Å; F9-L325 HydrophobicContact CZ-CD1 4.2Å; F9-L325 HydrophobicContact CZ-CD2 3.71Å; F9-L325 HydrophobicContact CZ-CG 4.37Å; Q10-L325 WeakPolarHBondContact O-CA 3.49Å; E11-L325 HydrophobicContact CB-CD2 3.92Å; E11-L325 HydrophobicContact CG-CD2 3.99Å; I303-L325 HydrophobicContact CD1-CD1 4.42Å; I316-L325 CarbonylContact C-O 3.57Å; I316-L325 WeakPolarHBondContact CA-O 3.49Å; G317-L325 PolarHBondContact N-O 3.23Å; G317-L325 PolarHBondContact O-N 3.4Å; Q323-L325 HydrophobicContact CB-CD2 3.86Å; Q323-L325 HydrophobicContact CB-CG 4.02Å
326S96.3Very high92.7Very high2 Ų229.1 Ų29.11%0.01414%0.142CC..EExtended strand (participates in β ladder)trans-125.9150169.269.10000112.1Q10 H12 I315Q10-S326 PolarHBondContact N-O 2.95Å; Q10-S326 PolarHBondContact O-N 3.24Å; H12-S326 WeakPolarHBondContact NE2-CB 3.27Å; H12-S326 PolarHBondContact NE2-OG 2.86Å; I315-S326 CarbonylContact O-C 3.5Å; I315-S326 VanDerWaalsContact O-CA 3.26Å; I315-S326 WeakPolarHBondContact O-CA 3.22Å
327V95.6Very high92.2Very high4 Ų430.6 Ų30.62%0.02415%0.147CC..EExtended strand (participates in β ladder)trans-134130.6174.5-176.90000108.8V7 R8 F9 Y274 L282 I298 G314 I315V7-V327 HydrophobicContact CB-CG1 3.95Å; V7-V327 HydrophobicContact CG1-CG1 4.14Å; R8-V327 WeakPolarHBondContact O-CA 3.26Å; F9-V327 HydrophobicContact CD2-CG2 3.89Å; Y274-V327 HydrophobicContact CE1-CG1 4.48Å; L282-V327 HydrophobicContact CD1-CG1 4.44Å; L282-V327 HydrophobicContact CD2-CB 4.14Å; L282-V327 HydrophobicContact CD2-CG1 3.35Å; L282-V327 HydrophobicContact CD2-CG2 4.01Å; I298-V327 HydrophobicContact CD1-CG2 3.84Å; I298-V327 HydrophobicContact CG2-CG2 4.44Å; G314-V327 CarbonylContact C-O 3.54Å; G314-V327 VanDerWaalsContact CA-O 3.28Å; G314-V327 WeakPolarHBondContact CA-O 3.12Å; I315-V327 HydrophobicContact CG2-CB 3.98Å; I315-V327 PolarHBondContact N-O 3.37Å; I315-V327 PolarHBondContact O-N 2.82Å
328C94.6Very high91.8Very high5 Ų530.5 Ų30.53%0.03415%0.146CC..EExtended strand (participates in β ladder)trans-137168.9170.462.10000111.4V7 R8 T312V7-C328 CarbonylContact C-O 3.58Å; V7-C328 VanDerWaalsContact CA-O 3.22Å; V7-C328 WeakPolarHBondContact CA-O 3.4Å; R8-C328 PolarHBondContact N-O 3.49Å; R8-C328 PolarHBondContact O-N 2.81Å; T312-C328 VanDerWaalsContact OG1-CB 3.27Å; T312-C328 WeakPolarHBondContact OG1-CB 3.42Å
329V93.1Very high91.2Very high6 Ų631.5 Ų31.54%0.03615%0.153CC..EExtended strand (participates in β ladder)trans-67.8135.7172.7165.50000109.9H270 V272 Y274 L284 I334H270-V329 HydrophobicContact CB-CG2 4.36Å; V272-V329 HydrophobicContact CG1-CG2 4.46Å; V272-V329 HydrophobicContact CG2-CG2 3.82Å; Y274-V329 PolarHBondContact OH-N 3.1Å; L284-V329 HydrophobicContact CD1-CG2 4.11Å; V329-I334 HydrophobicContact CB-CD1 4.37Å; V329-I334 HydrophobicContact CG1-CB 3.95Å; V329-I334 HydrophobicContact CG1-CD1 3.52Å; V329-I334 HydrophobicContact CG1-CG1 4.32Å; V329-I334 HydrophobicContact CG1-CG2 3.82Å; V329-I334 HydrophobicContact CG2-CD1 3.87Å
330E92Very high90.7Very high26 Ų2636.8 Ų36.812%0.12118%0.181CC..  trans-88.4103.9167.9-175.458.6-101.300109.3P6 R8 D332 N333 I334P6-E330 PolarHBondContact O-N 3.34Å; R8-E330 IonicContact CZ-OE1 2.74Å; R8-E330 IonicContact CZ-OE2 2.76Å; R8-E330 VanDerWaalsContact CZ-OE2 3.29Å; R8-E330 IonicContact NE-OE1 3.75Å; R8-E330 IonicContact NE-OE2 2.99Å; R8-E330 PolarHBondContact NE-OE2 3.23Å; R8-E330 VanDerWaalsContact NH2-CD 3.28Å; R8-E330 IonicContact NH2-OE1 2.74Å; R8-E330 PolarHBondContact NH2-OE1 3.35Å; R8-E330 IonicContact NH2-OE2 3.63Å; R8-E330 PolarHBondContact NH2-OE2 3.15Å; E330-D332 VanDerWaalsContact C-N 3.29Å; E330-D332 PolarHBondContact O-N 3.14Å; E330-N333 HydrophobicContact CB-CB 4.18Å; E330-N333 HydrophobicContact CG-CB 3.78Å; E330-N333 WeakPolarHBondContact CG-ND2 3.48Å; E330-N333 PolarHBondContact O-N 3Å; E330-N333 VanDerWaalsContact O-N 3.13Å; E330-I334 PolarHBondContact O-N 3.04Å
331E87.4Confident90.3Very high73 Ų7334.4 Ų34.434%0.34118%0.176SC..THydrogen-bonded Turntrans-60.2-35.5-169.6-68-173.4-175.700113.1K269 H270 N333 L357K269-E331 WeakPolarHBondContact CE-OE1 3.27Å; K269-E331 IonicContact NZ-OE1 2.95Å; K269-E331 PolarHBondContact NZ-OE1 3.48Å; K269-E331 IonicContact NZ-OE2 2.73Å; H270-E331 IonicContact CE1-OE1 3.01Å; H270-E331 PolarHBondContact CE1-OE1 2.78Å; H270-E331 VanDerWaalsContact CE1-OE1 3.28Å; H270-E331 IonicContact NE2-OE1 2.79Å; E331-N333 VanDerWaalsContact C-N 3.35Å; E331-L357 HydrophobicContact CB-CD2 3.8Å; E331-L357 HydrophobicContact CG-CD2 3.88Å
332D85.5Confident90Very high109 Ų10931.9 Ų31.958%0.58317%0.167SC*.THydrogen-bonded Turntrans-75.4-25.2-179.4-65.9-33.2000113.1E330E330-D332 VanDerWaalsContact C-N 3.29Å; E330-D332 PolarHBondContact O-N 3.14Å
333N88.3Confident89.7Confident54 Ų5439.7 Ų39.729%0.28920%0.203SC..THydrogen-bonded Turntrans-105.9-29.9-169.2-72.8-23.3000113.4I4 L5 E330 E331 V335 N336 Y337I4-N333 HydrophobicContact CG2-CB 3.63Å; L5-N333 WeakPolarHBondContact O-CB 3.45Å; E330-N333 HydrophobicContact CB-CB 4.18Å; E330-N333 HydrophobicContact CG-CB 3.78Å; E330-N333 WeakPolarHBondContact CG-ND2 3.48Å; E330-N333 PolarHBondContact O-N 3Å; E330-N333 VanDerWaalsContact O-N 3.13Å; E331-N333 VanDerWaalsContact C-N 3.35Å; N333-V335 VanDerWaalsContact C-N 3.33Å; N333-V335 PolarHBondContact O-N 3.41Å; N333-N336 PolarHBondContact O-N 3.31Å; N333-Y337 VanDerWaalsContact O-CB 3.24Å; N333-Y337 WeakPolarHBondContact O-CB 3.48Å; N333-Y337 PolarHBondContact O-N 3.06Å
334I89Confident89.2Confident0 Ų039.5 Ų39.50%020%0.204CC..Hα-helixtrans-58.8-40.5-171.4-172.3167.5000113.4P6 V329 E330 Y337 A338 L351 L357P6-I334 HydrophobicContact CB-CB 4.34Å; P6-I334 HydrophobicContact CB-CG1 4.2Å; V329-I334 HydrophobicContact CB-CD1 4.37Å; V329-I334 HydrophobicContact CG1-CB 3.95Å; V329-I334 HydrophobicContact CG1-CD1 3.52Å; V329-I334 HydrophobicContact CG1-CG1 4.32Å; V329-I334 HydrophobicContact CG1-CG2 3.82Å; V329-I334 HydrophobicContact CG2-CD1 3.87Å; E330-I334 PolarHBondContact O-N 3.04Å; I334-Y337 PolarHBondContact O-N 3.46Å; I334-A338 WeakPolarHBondContact O-CB 3.37Å; I334-A338 PolarHBondContact O-N 3.29Å; I334-L351 HydrophobicContact CD1-CD1 4.38Å; I334-L351 HydrophobicContact CG1-CD1 4.31Å; I334-L357 HydrophobicContact CG2-CD1 3.62Å
335V86.4Confident88.6Confident0 Ų042.1 Ų42.10%022%0.221CC..Hα-helixtrans-68.2-46.8179.2177.50000110.8N333 Y337 A338 T339 A352 L357 A360N333-V335 VanDerWaalsContact C-N 3.33Å; N333-V335 PolarHBondContact O-N 3.41Å; V335-Y337 VanDerWaalsContact C-N 3.29Å; V335-Y337 PolarHBondContact O-N 3.43Å; V335-A338 PolarHBondContact O-N 3.5Å; V335-T339 WeakPolarHBondContact O-CB 3.37Å; V335-T339 PolarHBondContact O-N 3.16Å; V335-T339 PolarHBondContact O-OG1 3.21Å; V335-A352 HydrophobicContact CG1-CB 4.42Å; V335-A352 HydrophobicContact CG2-CB 4.17Å; V335-L357 HydrophobicContact CG2-CB 3.77Å; V335-L357 HydrophobicContact CG2-CD1 4.13Å; V335-A360 HydrophobicContact CG1-CB 3.79Å
336N85Confident88Confident56 Ų5646.4 Ų46.430%0.29924%0.244SC..Hα-helixtrans-62.7-37.9176.4-78.4-37.7000111.8N333 T339 N340N333-N336 PolarHBondContact O-N 3.31Å; N336-T339 PolarHBondContact O-N 3.08Å; N336-N340 WeakPolarHBondContact O-CB 3.49Å; N336-N340 PolarHBondContact O-N 3.32Å; N336-N340 PolarHBondContact O-ND2 3Å
337Y87.8Confident87.5Confident32 Ų3246.6 Ų46.613%0.12525%0.245CC..Iπ-helixtrans-66.3-50177.2-176.4-87.9000111.6I4 P6 I293 N333 I334 V335 T339 V341 L342I4-Y337 WeakPolarHBondContact O-CD2 3.49Å; I4-Y337 VanDerWaalsContact O-CE2 3.31Å; I4-Y337 WeakPolarHBondContact O-CE2 3.27Å; P6-Y337 HydrophobicContact CB-CD1 3.73Å; P6-Y337 HydrophobicContact CB-CD2 4.42Å; P6-Y337 HydrophobicContact CB-CE1 4.34Å; P6-Y337 HydrophobicContact CB-CG 3.78Å; P6-Y337 HydrophobicContact CG-CD1 3.64Å; P6-Y337 HydrophobicContact CG-CD2 4.2Å; P6-Y337 HydrophobicContact CG-CE1 3.73Å; P6-Y337 HydrophobicContact CG-CE2 4.24Å; P6-Y337 HydrophobicContact CG-CG 3.88Å; I293-Y337 HydrophobicContact CG2-CD1 4.43Å; I293-Y337 VanDerWaalsContact O-CE1 3.29Å; I293-Y337 WeakPolarHBondContact O-CE1 3.46Å; N333-Y337 VanDerWaalsContact O-CB 3.24Å; N333-Y337 WeakPolarHBondContact O-CB 3.48Å; N333-Y337 PolarHBondContact O-N 3.06Å; I334-Y337 PolarHBondContact O-N 3.46Å; V335-Y337 VanDerWaalsContact C-N 3.29Å; V335-Y337 PolarHBondContact O-N 3.43Å; Y337-T339 PolarHBondContact O-N 3.25Å; Y337-V341 HydrophobicContact CD2-CB 3.82Å; Y337-V341 HydrophobicContact CD2-CG1 4.16Å; Y337-V341 HydrophobicContact CD2-CG2 3.72Å; Y337-V341 HydrophobicContact CE2-CB 3.83Å; Y337-V341 HydrophobicContact CE2-CG1 3.62Å; Y337-V341 HydrophobicContact CE2-CG2 4.01Å; Y337-V341 HydrophobicContact CG-CB 4.22Å; Y337-V341 HydrophobicContact CG-CG2 4.37Å; Y337-V341 WeakPolarHBondContact O-CA 3.33Å; Y337-V341 WeakPolarHBondContact O-CB 3.48Å; Y337-V341 PolarHBondContact O-N 3.49Å; Y337-L342 HydrophobicContact CE1-CD1 4.31Å; Y337-L342 PolarHBondContact O-N 3.47Å
338A86.5Confident86.9Confident0 Ų046.4 Ų46.40%024%0.244CC..Iπ-helixtrans-58.6-38.2176.500000111.8I334 V335 L342 Q343 N344I334-A338 WeakPolarHBondContact O-CB 3.37Å; I334-A338 PolarHBondContact O-N 3.29Å; V335-A338 PolarHBondContact O-N 3.5Å; A338-L342 VanDerWaalsContact O-CB 3.32Å; A338-L342 WeakPolarHBondContact O-CB 3.39Å; A338-Q343 PolarHBondContact O-N 3.05Å; A338-N344 CarbonylContact O-C 3.6Å; A338-N344 PolarHBondContact O-N 3.1Å
339T84.4Confident86.3Confident22 Ų2246.9 Ų46.914%0.13525%0.246CC..Iπ-helixtrans-76-50.4-177.2-53.70000112.8V335 N336 Y337 Q343 P345 L363V335-T339 WeakPolarHBondContact O-CB 3.37Å; V335-T339 PolarHBondContact O-N 3.16Å; V335-T339 PolarHBondContact O-OG1 3.21Å; N336-T339 PolarHBondContact O-N 3.08Å; Y337-T339 PolarHBondContact O-N 3.25Å; T339-Q343 WeakPolarHBondContact O-CA 3.49Å; T339-P345 HydrophobicContact CG2-CB 4.43Å; T339-L363 HydrophobicContact CG2-CD1 3.75Å; T339-L363 HydrophobicContact CG2-CD2 3.81Å; T339-L363 HydrophobicContact CG2-CG 4.22Å; T339-L363 WeakPolarHBondContact OG1-CD1 3.35Å
340N85.1Confident85.8Confident111 Ų11152 Ų5259%0.59427%0.265SS*.Iπ-helixtrans-97-37.2-168.4-60.8-42.2000112.9N336N336-N340 WeakPolarHBondContact O-CB 3.49Å; N336-N340 PolarHBondContact O-N 3.32Å; N336-N340 PolarHBondContact O-ND2 3Å
341V86Confident85.4Confident64 Ų6450.9 Ų50.939%0.38826%0.259SS..Iπ-helixtrans-89.5-48.3-177.2-175.90000110.5Y337 Q343Y337-V341 HydrophobicContact CD2-CB 3.82Å; Y337-V341 HydrophobicContact CD2-CG1 4.16Å; Y337-V341 HydrophobicContact CD2-CG2 3.72Å; Y337-V341 HydrophobicContact CE2-CB 3.83Å; Y337-V341 HydrophobicContact CE2-CG1 3.62Å; Y337-V341 HydrophobicContact CE2-CG2 4.01Å; Y337-V341 HydrophobicContact CG-CB 4.22Å; Y337-V341 HydrophobicContact CG-CG2 4.37Å; Y337-V341 WeakPolarHBondContact O-CA 3.33Å; Y337-V341 WeakPolarHBondContact O-CB 3.48Å; Y337-V341 PolarHBondContact O-N 3.49Å; V341-Q343 VanDerWaalsContact C-N 3.25Å; V341-Q343 PolarHBondContact O-N 3.19Å
342L84.9Confident85.2Confident51 Ų5147.4 Ų47.427%0.26724%0.243SC..SBendtrans-79.2-11.7178.1-144.3139.6000112.8V291 C292 I293 Y337 A338 N344V291-L342 HydrophobicContact CG1-CD2 4.29Å; C292-L342 WeakPolarHBondContact O-CD1 3.28Å; I293-L342 WeakPolarHBondContact O-CD1 3.47Å; Y337-L342 HydrophobicContact CE1-CD1 4.31Å; Y337-L342 PolarHBondContact O-N 3.47Å; A338-L342 VanDerWaalsContact O-CB 3.32Å; A338-L342 WeakPolarHBondContact O-CB 3.39Å; L342-N344 HydrophobicContact CD2-CB 3.71Å; L342-N344 PolarHBondContact O-N 3.34Å
343Q87Confident84.9Confident164 Ų16445.1 Ų45.177%0.76623%0.233SC*.  trans54.331.5-177.3-58.7-177.1-9.400113.1A338 T339 V341 P345A338-Q343 PolarHBondContact O-N 3.05Å; T339-Q343 WeakPolarHBondContact O-CA 3.49Å; V341-Q343 VanDerWaalsContact C-N 3.25Å; V341-Q343 PolarHBondContact O-N 3.19Å; Q343-P345 WeakPolarHBondContact O-CD 3.39Å
344N86.6Confident84.6Confident45 Ų4545.7 Ų45.724%0.24123%0.231CC..  trans-11982.4-179.7-166.6-23.6000110.6A338 L342 D346 L347 G348A338-N344 CarbonylContact O-C 3.6Å; A338-N344 PolarHBondContact O-N 3.1Å; L342-N344 HydrophobicContact CD2-CB 3.71Å; L342-N344 PolarHBondContact O-N 3.34Å; N344-D346 VanDerWaalsContact C-N 3.27Å; N344-D346 PolarHBondContact O-N 3.21Å; N344-D346 PolarHBondContact OD1-N 3.5Å; N344-L347 HydrophobicContact CB-CB 4.18Å; N344-L347 PolarHBondContact O-N 3.42Å; N344-L347 PolarHBondContact OD1-N 2.88Å; N344-L347 VanDerWaalsContact OD1-N 3.07Å; N344-G348 PolarHBondContact O-N 3.19Å
345P82.9Confident84.2Confident55 Ų5546.7 Ų46.736%0.35724%0.238SC..Hα-helixtrans-67.2-27.7-17827.9-34.7000112.6T339 Q343 G348 L349 L363T339-P345 HydrophobicContact CG2-CB 4.43Å; Q343-P345 WeakPolarHBondContact O-CD 3.39Å; P345-G348 PolarHBondContact O-N 3.08Å; P345-L349 WeakPolarHBondContact O-CB 3.37Å; P345-L349 WeakPolarHBondContact O-CG 3.24Å; P345-L349 PolarHBondContact O-N 3.44Å; P345-L363 HydrophobicContact CB-CD2 4.21Å
346D83.5Confident83.8Confident95 Ų9551.1 Ų51.151%0.50826%0.262SS..Hα-helixtrans-67.6-42.2178-69.5-42.4000111.7N344 L349 R350N344-D346 VanDerWaalsContact C-N 3.27Å; N344-D346 PolarHBondContact O-N 3.21Å; N344-D346 PolarHBondContact OD1-N 3.5Å; D346-L349 PolarHBondContact O-N 3.08Å; D346-R350 WeakPolarHBondContact O-CG 3.24Å; D346-R350 PolarHBondContact O-N 3.11Å
347L85.5Confident83.6Confident7 Ų748.9 Ų48.94%0.03725%0.249CC..Hα-helixtrans-63.9-44173179.762.8000111.1D286 V291 I293 N344 L349 R350 L351D286-L347 HydrophobicContact CB-CD1 3.9Å; V291-L347 HydrophobicContact CB-CD2 4.31Å; V291-L347 HydrophobicContact CG1-CD2 3.93Å; I293-L347 HydrophobicContact CG1-CD2 3.99Å; N344-L347 HydrophobicContact CB-CB 4.18Å; N344-L347 PolarHBondContact O-N 3.42Å; N344-L347 PolarHBondContact OD1-N 2.88Å; N344-L347 VanDerWaalsContact OD1-N 3.07Å; L347-L349 VanDerWaalsContact C-N 3.31Å; L347-L349 PolarHBondContact O-N 3.34Å; L347-R350 PolarHBondContact O-N 3.47Å; L347-L351 HydrophobicContact CD1-CD1 4.11Å; L347-L351 HydrophobicContact CD1-CG 4.1Å; L347-L351 HydrophobicContact CG-CD1 3.9Å; L347-L351 HydrophobicContact CG-CG 4.34Å; L347-L351 WeakPolarHBondContact O-CB 3.28Å; L347-L351 WeakPolarHBondContact O-CG 3.31Å; L347-L351 PolarHBondContact O-N 2.92Å
348G83.8Confident82.9Confident0 Ų048.7 Ų48.70%026%0.255CS..Hα-helixtrans-57.3-43.3175.900000112.6N344 P345 A352N344-G348 PolarHBondContact O-N 3.19Å; P345-G348 PolarHBondContact O-N 3.08Å; G348-A352 WeakPolarHBondContact O-CB 3.43Å; G348-A352 PolarHBondContact O-N 3.36Å
349L81.4Confident82.1Confident14 Ų1449.5 Ų49.57%0.07326%0.263CS..Hα-helixtrans-63.2-47.6174.9-79170.2000112.3P345 D346 L347 A352 V353 L363 F364 K367P345-L349 WeakPolarHBondContact O-CB 3.37Å; P345-L349 WeakPolarHBondContact O-CG 3.24Å; P345-L349 PolarHBondContact O-N 3.44Å; D346-L349 PolarHBondContact O-N 3.08Å; L347-L349 VanDerWaalsContact C-N 3.31Å; L347-L349 PolarHBondContact O-N 3.34Å; L349-A352 PolarHBondContact O-N 3.33Å; L349-V353 WeakPolarHBondContact O-CG2 3.37Å; L349-V353 PolarHBondContact O-N 3.44Å; L349-L363 HydrophobicContact CD1-CB 4.49Å; L349-L363 HydrophobicContact CD2-CB 3.53Å; L349-L363 HydrophobicContact CD2-CD1 4.45Å; L349-L363 HydrophobicContact CG-CB 3.96Å; L349-L363 HydrophobicContact CG-CD1 4.22Å; L349-F364 HydrophobicContact CD2-CD1 4.18Å; L349-F364 HydrophobicContact CD2-CD2 3.92Å; L349-F364 HydrophobicContact CD2-CE1 4.08Å; L349-F364 HydrophobicContact CD2-CE2 3.78Å; L349-F364 HydrophobicContact CD2-CG 4.08Å; L349-F364 HydrophobicContact CD2-CZ 3.85Å; L349-K367 HydrophobicContact CD1-CD 3.77Å
350R83.1Confident81.4Confident115 Ų11548.5 Ų48.543%0.43426%0.257SS..Hα-helixtrans-63.8-44.2179.9-70.9-171.7-156.5177.89.4112.3E288 D346 L347 A352 V353 R354E288-R350 IonicContact OE1-NH1 2.88Å; E288-R350 PolarHBondContact OE1-NH1 3.5Å; E288-R350 VanDerWaalsContact OE1-NH1 3.14Å; D346-R350 WeakPolarHBondContact O-CG 3.24Å; D346-R350 PolarHBondContact O-N 3.11Å; L347-R350 PolarHBondContact O-N 3.47Å; R350-A352 VanDerWaalsContact C-N 3.28Å; R350-A352 PolarHBondContact O-N 3.49Å; R350-V353 PolarHBondContact O-N 2.93Å; R350-R354 WeakPolarHBondContact O-CB 2.9Å; R350-R354 PolarHBondContact O-N 2.88Å
351L83.4Confident80.9Confident1 Ų146.5 Ų46.51%0.00524%0.244CC..Hα-helixtrans-59.6-40.8175.3-72.7171.9000111.4I293 I334 L347 R354 S355I293-L351 HydrophobicContact CD1-CD1 4.24Å; I334-L351 HydrophobicContact CD1-CD1 4.38Å; I334-L351 HydrophobicContact CG1-CD1 4.31Å; L347-L351 HydrophobicContact CD1-CD1 4.11Å; L347-L351 HydrophobicContact CD1-CG 4.1Å; L347-L351 HydrophobicContact CG-CD1 3.9Å; L347-L351 HydrophobicContact CG-CG 4.34Å; L347-L351 WeakPolarHBondContact O-CB 3.28Å; L347-L351 WeakPolarHBondContact O-CG 3.31Å; L347-L351 PolarHBondContact O-N 2.92Å; L351-R354 VanDerWaalsContact CD2-NH2 3.26Å; L351-S355 WeakPolarHBondContact O-CB 3.34Å; L351-S355 PolarHBondContact O-N 3.1Å
352A82.7Confident80.3Confident0 Ų051.4 Ų51.40%026%0.26CS..Hα-helixtrans-66.9-44178.100000113.3V335 G348 L349 R350 N356 L357 A360 F364V335-A352 HydrophobicContact CG1-CB 4.42Å; V335-A352 HydrophobicContact CG2-CB 4.17Å; G348-A352 WeakPolarHBondContact O-CB 3.43Å; G348-A352 PolarHBondContact O-N 3.36Å; L349-A352 PolarHBondContact O-N 3.33Å; R350-A352 VanDerWaalsContact C-N 3.28Å; R350-A352 PolarHBondContact O-N 3.49Å; A352-N356 CarbonylContact O-C 3.53Å; A352-N356 WeakPolarHBondContact O-CA 3.44Å; A352-N356 PolarHBondContact O-N 3.15Å; A352-L357 PolarHBondContact O-N 3.35Å; A352-L357 VanDerWaalsContact O-N 3.15Å; A352-A360 HydrophobicContact CB-CB 3.32Å; A352-F364 HydrophobicContact CB-CE2 4.21Å
353V80.5Confident79.7Confident62 Ų6250 Ų5038%0.37625%0.252SS..Hα-helixtrans-63.7-52.2174.8178.60000110.5L349 R350 S355 F364L349-V353 WeakPolarHBondContact O-CG2 3.37Å; L349-V353 PolarHBondContact O-N 3.44Å; R350-V353 PolarHBondContact O-N 2.93Å; V353-S355 VanDerWaalsContact C-N 3.33Å; V353-S355 PolarHBondContact O-N 2.85Å; V353-F364 HydrophobicContact CG2-CE1 3.81Å; V353-F364 HydrophobicContact CG2-CZ 3.41Å; V353-F364 VanDerWaalsContact CG2-CZ 3.41Å
354R81.8Confident79.3Confident66 Ų6642.4 Ų42.425%0.24922%0.217CC..Hα-helixtrans-64.2-38.8-170.4-173.3172.371.2-1595.7112.6H270 G271 D286 E288 R350 L351H270-R354 PolarHBondContact O-NH2 3.12Å; G271-R354 PolarHBondContact O-NH2 3.35Å; D286-R354 IonicContact OD1-CZ 2.86Å; D286-R354 VanDerWaalsContact OD1-CZ 3.28Å; D286-R354 IonicContact OD1-NH1 3.13Å; D286-R354 PolarHBondContact OD1-NH1 2.85Å; D286-R354 IonicContact OD1-NH2 3.97Å; D286-R354 PolarHBondContact OD1-NH2 3.3Å; E288-R354 VanDerWaalsContact CB-NH1 3.34Å; E288-R354 IonicContact OE2-NH1 3.2Å; E288-R354 PolarHBondContact OE2-NH1 3.25Å; R350-R354 WeakPolarHBondContact O-CB 2.9Å; R350-R354 PolarHBondContact O-N 2.88Å; L351-R354 VanDerWaalsContact CD2-NH2 3.26Å
355S79Confident79.1Confident20 Ų2042.9 Ų42.914%0.1422%0.222CC..Hα-helixtrans-110.88.8-174.5-590000113.6K269 H270 L351 V353 L357K269-S355 PolarHBondContact O-OG 2.85Å; K269-S355 VanDerWaalsContact O-OG 3.13Å; H270-S355 VanDerWaalsContact CA-OG 3.29Å; H270-S355 WeakPolarHBondContact CA-OG 3.37Å; L351-S355 WeakPolarHBondContact O-CB 3.34Å; L351-S355 PolarHBondContact O-N 3.1Å; V353-S355 VanDerWaalsContact C-N 3.33Å; V353-S355 PolarHBondContact O-N 2.85Å; S355-L357 PolarHBondContact O-N 3.26Å
356N79.5Confident79.1Confident94 Ų9448.7 Ų48.750%0.50324%0.236SC..THydrogen-bonded Turntrans50.542.1-179-165.128.6000113.3A352 P388A352-N356 CarbonylContact O-C 3.53Å; A352-N356 WeakPolarHBondContact O-CA 3.44Å; A352-N356 PolarHBondContact O-N 3.15Å; N356-P388 WeakPolarHBondContact OD1-CB 3.3Å
357L80.5Confident78.9Confident8 Ų848.5 Ų48.54%0.04223%0.231CC..  trans-87149.1-175.5-60.4171.5000111.8E331 I334 V335 A352 S355E331-L357 HydrophobicContact CB-CD2 3.8Å; E331-L357 HydrophobicContact CG-CD2 3.88Å; I334-L357 HydrophobicContact CG2-CD1 3.62Å; V335-L357 HydrophobicContact CG2-CB 3.77Å; V335-L357 HydrophobicContact CG2-CD1 4.13Å; A352-L357 PolarHBondContact O-N 3.35Å; A352-L357 VanDerWaalsContact O-N 3.15Å; S355-L357 PolarHBondContact O-N 3.26Å
358A73.2Confident78.9Confident29 Ų2948.2 Ų48.224%0.2423%0.23CC..SBendtrans-79164.3174.700000111.8
359G70.2Confident79Confident16 Ų1651.2 Ų51.217%0.16525%0.246CC..SBendtrans99.2-7.9174.600000115.3E361G359-E361 VanDerWaalsContact C-OE2 3.25Å; G359-E361 WeakPolarHBondContact CA-OE2 3.48Å; G359-E361 PolarHBondContact N-OE1 3.28Å; G359-E361 PolarHBondContact N-OE2 3.49Å; G359-E361 VanDerWaalsContact N-OE2 3.13Å
360A68.9Low79.3Confident1 Ų154.1 Ų54.11%0.00826%0.264CS..  trans-92.12.8172.900000113.3V335 A352 K362 L363 F364V335-A360 HydrophobicContact CG1-CB 3.79Å; A352-A360 HydrophobicContact CB-CB 3.32Å; A360-K362 VanDerWaalsContact C-N 3.27Å; A360-K362 PolarHBondContact O-N 2.89Å; A360-L363 WeakPolarHBondContact O-CA 3.36Å; A360-L363 WeakPolarHBondContact O-CB 3.29Å; A360-L363 PolarHBondContact O-N 3.04Å; A360-F364 HydrophobicContact CB-CD2 3.82Å; A360-F364 HydrophobicContact CB-CE2 3.58Å; A360-F364 VanDerWaalsContact O-CD2 3.25Å; A360-F364 WeakPolarHBondContact O-CD2 3.47Å; A360-F364 PolarHBondContact O-N 3.39Å
361E74.3Confident79.4Confident69 Ų6949.6 Ų49.632%0.32225%0.248SC..Hα-helixtrans-54.1-46.3-171.7-56.375.1-16300111.4G359 L363 F364 V365 I391G359-E361 VanDerWaalsContact C-OE2 3.25Å; G359-E361 WeakPolarHBondContact CA-OE2 3.48Å; G359-E361 PolarHBondContact N-OE1 3.28Å; G359-E361 PolarHBondContact N-OE2 3.49Å; G359-E361 VanDerWaalsContact N-OE2 3.13Å; E361-L363 VanDerWaalsContact C-N 3.3Å; E361-L363 PolarHBondContact O-N 3.08Å; E361-F364 PolarHBondContact O-N 2.82Å; E361-V365 WeakPolarHBondContact O-CG2 3.36Å; E361-V365 PolarHBondContact O-N 3.43Å; E361-V365 VanDerWaalsContact O-N 3.15Å; E361-I391 HydrophobicContact CB-CD1 4.03Å; E361-I391 HydrophobicContact CB-CG1 4.47Å; E361-I391 HydrophobicContact CB-CG2 4.07Å; E361-I391 HydrophobicContact CG-CD1 3.55Å; E361-I391 HydrophobicContact CG-CG1 3.94Å; E361-I391 HydrophobicContact CG-CG2 4.36Å
362K73.1Confident79.5Confident168 Ų16851.2 Ų51.273%0.7326%0.255SS*.Hα-helixtrans-66.1-30.8178.6-66.5-178.8-179.2175.10112.8A360 R366A360-K362 VanDerWaalsContact C-N 3.27Å; A360-K362 PolarHBondContact O-N 2.89Å; K362-R366 WeakPolarHBondContact O-CB 3.37Å; K362-R366 WeakPolarHBondContact O-CG 3.13Å; K362-R366 PolarHBondContact O-N 3.46Å
363L73.8Confident79.7Confident20 Ų2055.5 Ų55.511%0.10529%0.291CS..Hα-helixtrans-74.4-41.2178.8-63.4175.3000111.6T339 P345 L349 A360 E361 R366 K367T339-L363 HydrophobicContact CG2-CD1 3.75Å; T339-L363 HydrophobicContact CG2-CD2 3.81Å; T339-L363 HydrophobicContact CG2-CG 4.22Å; T339-L363 WeakPolarHBondContact OG1-CD1 3.35Å; P345-L363 HydrophobicContact CB-CD2 4.21Å; L349-L363 HydrophobicContact CD1-CB 4.49Å; L349-L363 HydrophobicContact CD2-CB 3.53Å; L349-L363 HydrophobicContact CD2-CD1 4.45Å; L349-L363 HydrophobicContact CG-CB 3.96Å; L349-L363 HydrophobicContact CG-CD1 4.22Å; A360-L363 WeakPolarHBondContact O-CA 3.36Å; A360-L363 WeakPolarHBondContact O-CB 3.29Å; A360-L363 PolarHBondContact O-N 3.04Å; E361-L363 VanDerWaalsContact C-N 3.3Å; E361-L363 PolarHBondContact O-N 3.08Å; L363-R366 PolarHBondContact O-N 3.08Å; L363-K367 WeakPolarHBondContact O-CB 3.39Å; L363-K367 PolarHBondContact O-N 3.18Å
364F78.3Confident80Confident5 Ų558.6 Ų58.62%0.02230%0.301CS..Hα-helixtrans-60.6-45.8173.6-79-78.2000111.3L349 A352 V353 A360 E361 R366 K367 F368 V383 A387 P388 L392L349-F364 HydrophobicContact CD2-CD1 4.18Å; L349-F364 HydrophobicContact CD2-CD2 3.92Å; L349-F364 HydrophobicContact CD2-CE1 4.08Å; L349-F364 HydrophobicContact CD2-CE2 3.78Å; L349-F364 HydrophobicContact CD2-CG 4.08Å; L349-F364 HydrophobicContact CD2-CZ 3.85Å; A352-F364 HydrophobicContact CB-CE2 4.21Å; V353-F364 HydrophobicContact CG2-CE1 3.81Å; V353-F364 HydrophobicContact CG2-CZ 3.41Å; V353-F364 VanDerWaalsContact CG2-CZ 3.41Å; A360-F364 HydrophobicContact CB-CD2 3.82Å; A360-F364 HydrophobicContact CB-CE2 3.58Å; A360-F364 VanDerWaalsContact O-CD2 3.25Å; A360-F364 WeakPolarHBondContact O-CD2 3.47Å; A360-F364 PolarHBondContact O-N 3.39Å; E361-F364 PolarHBondContact O-N 2.82Å; F364-R366 VanDerWaalsContact C-N 3.35Å; F364-R366 PolarHBondContact O-N 2.69Å; F364-K367 PolarHBondContact O-N 2.72Å; F364-F368 WeakPolarHBondContact O-CB 3.49Å; F364-F368 PolarHBondContact O-N 2.71Å; F364-V383 HydrophobicContact CD1-CG1 4.06Å; F364-A387 HydrophobicContact CD1-CB 4.04Å; F364-A387 HydrophobicContact CE1-CB 4.5Å; F364-A387 HydrophobicContact CG-CB 4.26Å; F364-P388 HydrophobicContact CD2-CG 4.18Å; F364-P388 HydrophobicContact CE2-CG 3.57Å; F364-P388 HydrophobicContact CZ-CG 4.07Å; F364-L392 HydrophobicContact CB-CD1 3.86Å; F364-L392 HydrophobicContact CB-CG 4.26Å
365V82.3Confident80.1Confident56 Ų5657.1 Ų57.134%0.33931%0.306SS..Hα-helixtrans-60.3-43.5176.2175.20000111.6E361 N369 L392E361-V365 WeakPolarHBondContact O-CG2 3.36Å; E361-V365 PolarHBondContact O-N 3.43Å; E361-V365 VanDerWaalsContact O-N 3.15Å; V365-N369 WeakPolarHBondContact O-CB 3.35Å; V365-N369 PolarHBondContact O-N 3.44Å; V365-N369 PolarHBondContact O-ND2 2.87Å; V365-N369 VanDerWaalsContact O-ND2 3.12Å; V365-L392 HydrophobicContact CB-CD2 4.43Å; V365-L392 HydrophobicContact CG2-CD2 3.73Å
366R81.4Confident80.4Confident176 Ų17658.4 Ų58.466%0.66432%0.315SS*.Hα-helixtrans-63.2-50.4176-78.1178.6179.4-177.50.2111.9K362 L363 F364 F368 N369 T370K362-R366 WeakPolarHBondContact O-CB 3.37Å; K362-R366 WeakPolarHBondContact O-CG 3.13Å; K362-R366 PolarHBondContact O-N 3.46Å; L363-R366 PolarHBondContact O-N 3.08Å; F364-R366 VanDerWaalsContact C-N 3.35Å; F364-R366 PolarHBondContact O-N 2.69Å; R366-F368 VanDerWaalsContact C-N 3.32Å; R366-F368 PolarHBondContact O-N 2.62Å; R366-N369 PolarHBondContact O-N 2.98Å; R366-T370 PolarHBondContact O-N 3.45Å; R366-T370 PolarHBondContact O-OG1 3.16Å
367K80.6Confident80.6Confident91 Ų9157.2 Ų57.240%0.39630%0.304SS..Hα-helixtrans-60.7-43179.8-174169.9-180176.20111.5L349 L363 F364 T370 L371 V383L349-K367 HydrophobicContact CD1-CD 3.77Å; L363-K367 WeakPolarHBondContact O-CB 3.39Å; L363-K367 PolarHBondContact O-N 3.18Å; F364-K367 PolarHBondContact O-N 2.72Å; K367-T370 PolarHBondContact O-N 3.19Å; K367-L371 HydrophobicContact CG-CD1 4.12Å; K367-L371 WeakPolarHBondContact O-CG 3.41Å; K367-L371 PolarHBondContact O-N 3.41Å; K367-V383 HydrophobicContact CD-CG2 4.36Å; K367-V383 HydrophobicContact CG-CG1 4.43Å; K367-V383 HydrophobicContact CG-CG2 4.47Å
368F85.8Confident80.7Confident2 Ų258.9 Ų58.91%0.00932%0.319CS..Hα-helixtrans-58.2-53.4173.8177.9-94.2000111.4F364 R366 T370 L371 F372 A380 V383 A384 L392 T397 K400 F401F364-F368 WeakPolarHBondContact O-CB 3.49Å; F364-F368 PolarHBondContact O-N 2.71Å; R366-F368 VanDerWaalsContact C-N 3.32Å; R366-F368 PolarHBondContact O-N 2.62Å; F368-T370 VanDerWaalsContact C-N 3.29Å; F368-T370 PolarHBondContact O-N 2.98Å; F368-L371 PolarHBondContact O-N 2.89Å; F368-F372 HydrophobicContact CE1-CB 4.44Å; F368-F372 HydrophobicContact CE1-CD2 4.03Å; F368-F372 HydrophobicContact CE1-CG 4.39Å; F368-F372 HydrophobicContact CE2-CD2 4.36Å; F368-F372 AromaticContact CZ-CD2 3.66Å; F368-F372 HydrophobicContact CZ-CD2 3.66Å; F368-F372 HydrophobicContact CZ-CE2 4.18Å; F368-F372 HydrophobicContact CZ-CG 4.43Å; F368-F372 WeakPolarHBondContact O-CB 3.31Å; F368-F372 PolarHBondContact O-N 3.1Å; F368-A380 HydrophobicContact CD2-CB 4.09Å; F368-A380 WeakPolarHBondContact CD2-O 3.2Å; F368-A380 HydrophobicContact CE2-CB 3.96Å; F368-V383 HydrophobicContact CB-CG1 4.45Å; F368-A384 HydrophobicContact CD2-CB 4.01Å; F368-A384 HydrophobicContact CE2-CB 3.96Å; F368-L392 HydrophobicContact CB-CD1 3.76Å; F368-L392 HydrophobicContact CB-CD2 4.34Å; F368-L392 HydrophobicContact CD2-CD1 4.29Å; F368-L392 HydrophobicContact CG-CD1 4.18Å; F368-L392 HydrophobicContact CG-CD2 4.46Å; F368-T397 HydrophobicContact CE1-CG2 4.36Å; F368-T397 HydrophobicContact CE2-CG2 3.9Å; F368-T397 HydrophobicContact CZ-CG2 3.66Å; F368-K400 HydrophobicContact CE1-CD 3.88Å; F368-F401 AromaticContact CE2-CE2 3.62Å; F368-F401 HydrophobicContact CE2-CE2 3.62Å; F368-F401 AromaticContact CE2-CZ 3.73Å; F368-F401 HydrophobicContact CE2-CZ 3.73Å; F368-F401 HydrophobicContact CZ-CD2 4.42Å; F368-F401 AromaticContact CZ-CE2 3.68Å; F368-F401 HydrophobicContact CZ-CE2 3.68Å; F368-F401 AromaticContact CZ-CZ 3.98Å; F368-F401 HydrophobicContact CZ-CZ 3.98Å
369N85.7Confident81.1Confident63 Ų6362.7 Ų62.734%0.33733%0.332SS..Hα-helixtrans-61.4-36.9-179.8-69.9-29.8000112.3V365 R366 A373 K400V365-N369 WeakPolarHBondContact O-CB 3.35Å; V365-N369 PolarHBondContact O-N 3.44Å; V365-N369 PolarHBondContact O-ND2 2.87Å; V365-N369 VanDerWaalsContact O-ND2 3.12Å; R366-N369 PolarHBondContact O-N 2.98Å; N369-A373 VanDerWaalsContact O-CB 3.29Å; N369-A373 WeakPolarHBondContact O-CB 3.49Å; N369-A373 PolarHBondContact O-N 3.07Å; N369-K400 PolarHBondContact OD1-NZ 2.95Å
370T86.5Confident81.8Confident75 Ų7562 Ų6246%0.4632%0.324SS..Hα-helixtrans-64.9-50.4175.9-58.40000111.7R366 K367 F368 F372 A373 Q374R366-T370 PolarHBondContact O-N 3.45Å; R366-T370 PolarHBondContact O-OG1 3.16Å; K367-T370 PolarHBondContact O-N 3.19Å; F368-T370 VanDerWaalsContact C-N 3.29Å; F368-T370 PolarHBondContact O-N 2.98Å; T370-F372 VanDerWaalsContact C-N 3.28Å; T370-F372 PolarHBondContact O-N 2.98Å; T370-A373 PolarHBondContact O-N 3.45Å; T370-Q374 VanDerWaalsContact O-CG 3.27Å; T370-Q374 WeakPolarHBondContact O-CG 3.34Å; T370-Q374 PolarHBondContact O-N 3.11Å
371L85.4Confident82.5Confident19 Ų1961.9 Ų61.910%0.09932%0.324CS..Hα-helixtrans-63.8-37.1178.3-70.8171.1000111.7K367 F368 Q374 G375 S376 E379 A380 V383K367-L371 HydrophobicContact CG-CD1 4.12Å; K367-L371 WeakPolarHBondContact O-CG 3.41Å; K367-L371 PolarHBondContact O-N 3.41Å; F368-L371 PolarHBondContact O-N 2.89Å; L371-Q374 PolarHBondContact O-N 3.37Å; L371-G375 PolarHBondContact O-N 3.4Å; L371-S376 PolarHBondContact O-N 3.29Å; L371-S376 VanDerWaalsContact O-N 3.11Å; L371-E379 HydrophobicContact CD1-CB 4.22Å; L371-E379 HydrophobicContact CD2-CB 4.45Å; L371-A380 HydrophobicContact CB-CB 3.93Å; L371-V383 HydrophobicContact CD1-CB 4.48Å; L371-V383 HydrophobicContact CD1-CG2 3.68Å
372F86Confident82.9Confident35 Ų3564.3 Ų64.315%0.15433%0.333CS..Hα-helixtrans-66.2-42.4176.9-160.7-84.6000111.7F368 T370 Q374 G375 Y377 A380 K400 F401 I404F368-F372 HydrophobicContact CE1-CB 4.44Å; F368-F372 HydrophobicContact CE1-CD2 4.03Å; F368-F372 HydrophobicContact CE1-CG 4.39Å; F368-F372 HydrophobicContact CE2-CD2 4.36Å; F368-F372 AromaticContact CZ-CD2 3.66Å; F368-F372 HydrophobicContact CZ-CD2 3.66Å; F368-F372 HydrophobicContact CZ-CE2 4.18Å; F368-F372 HydrophobicContact CZ-CG 4.43Å; F368-F372 WeakPolarHBondContact O-CB 3.31Å; F368-F372 PolarHBondContact O-N 3.1Å; T370-F372 VanDerWaalsContact C-N 3.28Å; T370-F372 PolarHBondContact O-N 2.98Å; F372-Q374 VanDerWaalsContact C-N 3.29Å; F372-Q374 PolarHBondContact O-N 3.35Å; F372-G375 PolarHBondContact O-N 3.23Å; F372-Y377 HydrophobicContact CD1-CE1 4.48Å; F372-Y377 HydrophobicContact CD2-CD1 4.18Å; F372-Y377 HydrophobicContact CD2-CE1 4.45Å; F372-Y377 HydrophobicContact CE1-CE1 4.4Å; F372-Y377 HydrophobicContact CE2-CD1 4.17Å; F372-Y377 HydrophobicContact CE2-CE1 4.37Å; F372-Y377 HydrophobicContact CZ-CE1 4.34Å; F372-A380 HydrophobicContact CD2-CB 4.45Å; F372-K400 HydrophobicContact CE1-CB 4.31Å; F372-K400 HydrophobicContact CE2-CB 4.02Å; F372-K400 HydrophobicContact CZ-CB 3.74Å; F372-K400 WeakPolarHBondContact CZ-O 3.36Å; F372-F401 HydrophobicContact CD2-CE1 4.17Å; F372-F401 HydrophobicContact CD2-CZ 4.31Å; F372-F401 AromaticContact CE2-CD1 3.79Å; F372-F401 HydrophobicContact CE2-CD1 3.79Å; F372-F401 AromaticContact CE2-CE1 3.82Å; F372-F401 HydrophobicContact CE2-CE1 3.82Å; F372-F401 HydrophobicContact CE2-CG 4.16Å; F372-F401 HydrophobicContact CE2-CZ 4.22Å; F372-I404 HydrophobicContact CE1-CD1 3.91Å; F372-I404 HydrophobicContact CE1-CG1 4.44Å; F372-I404 HydrophobicContact CE2-CD1 3.78Å; F372-I404 HydrophobicContact CZ-CD1 3.24Å; F372-I404 HydrophobicContact CZ-CG1 4.01Å
373A87.3Confident83.3Confident90 Ų9057 Ų5774%0.74430%0.303SS*.Hα-helixtrans-67.5-28.117500000113.1N369 T370 G375N369-A373 VanDerWaalsContact O-CB 3.29Å; N369-A373 WeakPolarHBondContact O-CB 3.49Å; N369-A373 PolarHBondContact O-N 3.07Å; T370-A373 PolarHBondContact O-N 3.45Å; A373-G375 VanDerWaalsContact C-N 3.26Å; A373-G375 PolarHBondContact O-N 3.09Å
374Q87.4Confident83.6Confident128 Ų12856.1 Ų56.160%0.59830%0.298SS*.THydrogen-bonded Turntrans-77.2-7.6175.2-72.4171.4-3.100113.6T370 L371 F372 S376T370-Q374 VanDerWaalsContact O-CG 3.27Å; T370-Q374 WeakPolarHBondContact O-CG 3.34Å; T370-Q374 PolarHBondContact O-N 3.11Å; L371-Q374 PolarHBondContact O-N 3.37Å; F372-Q374 VanDerWaalsContact C-N 3.29Å; F372-Q374 PolarHBondContact O-N 3.35Å; Q374-S376 VanDerWaalsContact C-N 3.27Å; Q374-S376 PolarHBondContact O-N 3.05Å
375G82.4Confident83.6Confident34 Ų3456.4 Ų56.435%0.35130%0.301SS..THydrogen-bonded Turntrans78.94.8-176.100000114.6L371 F372 A373 Y377L371-G375 PolarHBondContact O-N 3.4Å; F372-G375 PolarHBondContact O-N 3.23Å; A373-G375 VanDerWaalsContact C-N 3.26Å; A373-G375 PolarHBondContact O-N 3.09Å; G375-Y377 VanDerWaalsContact C-N 3.25Å; G375-Y377 WeakPolarHBondContact O-CD2 3.21Å; G375-Y377 PolarHBondContact O-N 3.43Å
376S85.6Confident83.3Confident47 Ų4755.7 Ų55.733%0.32930%0.299SS..  trans-81.765.2177.8-67.50000111.5L371 Q374 A378 E379 A380L371-S376 PolarHBondContact O-N 3.29Å; L371-S376 VanDerWaalsContact O-N 3.11Å; Q374-S376 VanDerWaalsContact C-N 3.27Å; Q374-S376 PolarHBondContact O-N 3.05Å; S376-A378 PolarHBondContact O-N 3.4Å; S376-E379 PolarHBondContact O-N 2.94Å; S376-A380 PolarHBondContact O-N 3.08Å
377Y84.7Confident83Confident70 Ų7047.7 Ų47.728%0.27527%0.27SS..Hα-helixtrans-64.1-35.1-171.4-56.1-53.8000114.4F372 G375 A380 A381 I404 P413F372-Y377 HydrophobicContact CD1-CE1 4.48Å; F372-Y377 HydrophobicContact CD2-CD1 4.18Å; F372-Y377 HydrophobicContact CD2-CE1 4.45Å; F372-Y377 HydrophobicContact CE1-CE1 4.4Å; F372-Y377 HydrophobicContact CE2-CD1 4.17Å; F372-Y377 HydrophobicContact CE2-CE1 4.37Å; F372-Y377 HydrophobicContact CZ-CE1 4.34Å; G375-Y377 VanDerWaalsContact C-N 3.25Å; G375-Y377 WeakPolarHBondContact O-CD2 3.21Å; G375-Y377 PolarHBondContact O-N 3.43Å; Y377-A380 PolarHBondContact O-N 2.83Å; Y377-A381 VanDerWaalsContact O-CB 3.3Å; Y377-A381 WeakPolarHBondContact O-CB 3.43Å; Y377-A381 PolarHBondContact O-N 3.14Å; Y377-I404 HydrophobicContact CD1-CD1 3.57Å; Y377-I404 HydrophobicContact CD2-CD1 4.48Å; Y377-I404 HydrophobicContact CE1-CD1 3.18Å; Y377-I404 HydrophobicContact CE1-CG1 4.28Å; Y377-I404 HydrophobicContact CE2-CD1 4.14Å; Y377-I404 HydrophobicContact CE2-CG2 4.21Å; Y377-I404 HydrophobicContact CG-CD1 4.22Å; Y377-I404 VanDerWaalsContact CZ-CD1 3.49Å; Y377-P413 HydrophobicContact CD2-CB 4.22Å; Y377-P413 HydrophobicContact CD2-CG 3.83Å; Y377-P413 HydrophobicContact CE2-CG 4.36Å; Y377-P413 HydrophobicContact CG-CB 4.09Å; Y377-P413 HydrophobicContact CG-CG 4.22Å
378A82.1Confident82.4Confident42 Ų4243.8 Ų43.835%0.34725%0.254SS..Hα-helixtrans-65.6-38.6178.100000112.3S376 K382S376-A378 PolarHBondContact O-N 3.4Å; A378-K382 WeakPolarHBondContact O-CG 3.41Å; A378-K382 PolarHBondContact O-N 3.09Å; A378-K382 VanDerWaalsContact O-N 3.08Å
379E81.2Confident81.6Confident110 Ų11050.8 Ų50.851%0.51428%0.284SS..Hα-helixtrans-75.4-38.6176.1-64.7-169164.100111.8L371 S376 A381 K382 V383L371-E379 HydrophobicContact CD1-CB 4.22Å; L371-E379 HydrophobicContact CD2-CB 4.45Å; S376-E379 PolarHBondContact O-N 2.94Å; E379-A381 VanDerWaalsContact C-N 3.25Å; E379-A381 PolarHBondContact O-N 3.34Å; E379-K382 PolarHBondContact O-N 3.38Å; E379-V383 WeakPolarHBondContact O-CG2 2.89Å; E379-V383 PolarHBondContact O-N 3.42Å
380A84.9Confident80.9Confident0 Ų049.1 Ų49.10%028%0.282CS..Hα-helixtrans-58.4-41.217200000111.1F368 L371 F372 S376 Y377 V383 A384 F401F368-A380 HydrophobicContact CD2-CB 4.09Å; F368-A380 WeakPolarHBondContact CD2-O 3.2Å; F368-A380 HydrophobicContact CE2-CB 3.96Å; L371-A380 HydrophobicContact CB-CB 3.93Å; F372-A380 HydrophobicContact CD2-CB 4.45Å; S376-A380 PolarHBondContact O-N 3.08Å; Y377-A380 PolarHBondContact O-N 2.83Å; A380-V383 PolarHBondContact O-N 2.91Å; A380-A384 PolarHBondContact O-N 2.85Å; A380-F401 HydrophobicContact CB-CZ 4.24Å
381A83.6Confident80.5Confident0 Ų047.7 Ų47.70%027%0.271CS..Hα-helixtrans-63.4-43.6174.800000112.4Y377 E379 V383 A384 A385 F401 Y417 I420Y377-A381 VanDerWaalsContact O-CB 3.3Å; Y377-A381 WeakPolarHBondContact O-CB 3.43Å; Y377-A381 PolarHBondContact O-N 3.14Å; E379-A381 VanDerWaalsContact C-N 3.25Å; E379-A381 PolarHBondContact O-N 3.34Å; A381-V383 VanDerWaalsContact C-N 3.34Å; A381-V383 PolarHBondContact O-N 3.48Å; A381-A384 PolarHBondContact O-N 3.29Å; A381-A385 WeakPolarHBondContact O-CB 3.46Å; A381-A385 PolarHBondContact O-N 3.25Å; A381-F401 HydrophobicContact CB-CE1 4.47Å; A381-F401 HydrophobicContact CB-CZ 3.98Å; A381-Y417 HydrophobicContact CB-CD2 3.83Å; A381-Y417 HydrophobicContact CB-CG 4.46Å; A381-I420 HydrophobicContact CB-CD1 3.72Å
382K82.4Confident80.3Confident120 Ų12047.1 Ų47.152%0.52227%0.268SS..Hα-helixtrans-59.5-42.5173.7-73.6179.3-178.1179.90112.3A378 E379 A384 A385 S386 I420A378-K382 WeakPolarHBondContact O-CG 3.41Å; A378-K382 PolarHBondContact O-N 3.09Å; A378-K382 VanDerWaalsContact O-N 3.08Å; E379-K382 PolarHBondContact O-N 3.38Å; K382-A384 VanDerWaalsContact C-N 3.35Å; K382-A385 PolarHBondContact O-N 3.17Å; K382-S386 WeakPolarHBondContact O-CB 3.05Å; K382-S386 PolarHBondContact O-N 3.5Å; K382-S386 PolarHBondContact O-OG 3.34Å; K382-S386 VanDerWaalsContact O-OG 3.05Å; K382-I420 HydrophobicContact CG-CD1 4.03Å; K382-I420 HydrophobicContact CG-CG2 4.09Å
383V81.3Confident80.1Confident15 Ų1548.1 Ų48.19%0.09127%0.27CS..Hα-helixtrans-65.5-38.5177.5171.20000111.6F364 K367 F368 L371 E379 A380 A381 A385 A387 L392F364-V383 HydrophobicContact CD1-CG1 4.06Å; K367-V383 HydrophobicContact CD-CG2 4.36Å; K367-V383 HydrophobicContact CG-CG1 4.43Å; K367-V383 HydrophobicContact CG-CG2 4.47Å; F368-V383 HydrophobicContact CB-CG1 4.45Å; L371-V383 HydrophobicContact CD1-CB 4.48Å; L371-V383 HydrophobicContact CD1-CG2 3.68Å; E379-V383 WeakPolarHBondContact O-CG2 2.89Å; E379-V383 PolarHBondContact O-N 3.42Å; A380-V383 PolarHBondContact O-N 2.91Å; A381-V383 VanDerWaalsContact C-N 3.34Å; A381-V383 PolarHBondContact O-N 3.48Å; V383-A385 VanDerWaalsContact C-N 3.34Å; V383-A387 PolarHBondContact O-N 2.98Å; V383-L392 HydrophobicContact CG1-CD1 4.09Å
384A81.6Confident80Confident0 Ų046.5 Ų46.50%025%0.251CS..Hα-helixtrans-67.5-37.2175.200000112.2F368 A380 A381 K382 L392 T397 Y417F368-A384 HydrophobicContact CD2-CB 4.01Å; F368-A384 HydrophobicContact CE2-CB 3.96Å; A380-A384 PolarHBondContact O-N 2.85Å; A381-A384 PolarHBondContact O-N 3.29Å; K382-A384 VanDerWaalsContact C-N 3.35Å; A384-L392 HydrophobicContact CB-CB 3.87Å; A384-L392 HydrophobicContact CB-CD1 4.3Å; A384-T397 HydrophobicContact CB-CG2 4.09Å; A384-Y417 HydrophobicContact CB-CD2 4.43Å; A384-Y417 HydrophobicContact CB-CE2 3.66Å
385A77.9Confident79.7Confident11 Ų1148 Ų489%0.09125%0.252CS..Hα-helixtrans-71.1-40.5177.800000112.9A381 K382 V383 A387 I420 L421 Q424A381-A385 WeakPolarHBondContact O-CB 3.46Å; A381-A385 PolarHBondContact O-N 3.25Å; K382-A385 PolarHBondContact O-N 3.17Å; V383-A385 VanDerWaalsContact C-N 3.34Å; A385-A387 VanDerWaalsContact C-N 3.34Å; A385-A387 PolarHBondContact O-N 3.16Å; A385-I420 HydrophobicContact CB-CG2 4.03Å; A385-L421 HydrophobicContact CB-CD2 3.52Å; A385-L421 HydrophobicContact CB-CG 4.24Å; A385-Q424 VanDerWaalsContact C-OE1 3.3Å; A385-Q424 PolarHBondContact O-OE1 2.74Å
386S76Confident79.8Confident42 Ų4252.7 Ų52.729%0.29426%0.264SS..SBendtrans-85.10.3-179.567.50000115K382K382-S386 WeakPolarHBondContact O-CB 3.05Å; K382-S386 PolarHBondContact O-N 3.5Å; K382-S386 PolarHBondContact O-OG 3.34Å; K382-S386 VanDerWaalsContact O-OG 3.05Å
387A74.3Confident79.7Confident7 Ų750.7 Ų50.76%0.05825%0.25CS..  trans-63.7128.3-179.800000111F364 V383 A385 G390 L392F364-A387 HydrophobicContact CD1-CB 4.04Å; F364-A387 HydrophobicContact CE1-CB 4.5Å; F364-A387 HydrophobicContact CG-CB 4.26Å; V383-A387 PolarHBondContact O-N 2.98Å; A385-A387 VanDerWaalsContact C-N 3.34Å; A385-A387 PolarHBondContact O-N 3.16Å; A387-G390 PolarHBondContact O-N 3.37Å; A387-L392 HydrophobicContact CB-CB 4.03Å; A387-L392 HydrophobicContact CB-CD1 4.14Å; A387-L392 HydrophobicContact CB-CG 4.09Å
388P68.4Low79.7Confident9 Ų947.6 Ų47.66%0.05824%0.239CC..G310 helixtrans-59.7143.8-179.225.1-32.7000110.1N356 F364 G390 I391N356-P388 WeakPolarHBondContact OD1-CB 3.3Å; F364-P388 HydrophobicContact CD2-CG 4.18Å; F364-P388 HydrophobicContact CE2-CG 3.57Å; F364-P388 HydrophobicContact CZ-CG 4.07Å; P388-G390 PolarHBondContact O-N 3.5Å; P388-I391 HydrophobicContact CG-CD1 4.13Å; P388-I391 WeakPolarHBondContact O-CD1 3.37Å; P388-I391 VanDerWaalsContact O-CG1 3.26Å; P388-I391 WeakPolarHBondContact O-CG1 3.31Å; P388-I391 PolarHBondContact O-N 2.59Å
389K68.3Low79.8Confident150 Ų15050 Ų5065%0.65224%0.243SC*.G310 helixtrans53.816.9-177.6-54.9-179.4-179177.30115.3I391K389-I391 VanDerWaalsContact C-N 3.35Å; K389-I391 PolarHBondContact O-N 2.87Å
390G72.2Confident79.9Confident27 Ų2748 Ų4828%0.27823%0.232SC..G310 helixtrans67.327.4176.400000115A387 P388 L392 R393A387-G390 PolarHBondContact O-N 3.37Å; P388-G390 PolarHBondContact O-N 3.5Å; G390-L392 PolarHBondContact O-N 3.18Å; G390-L392 VanDerWaalsContact O-N 3.15Å; G390-R393 WeakPolarHBondContact O-CB 3.35Å; G390-R393 PolarHBondContact O-N 3.4Å
391I77.7Confident79.9Confident46 Ų4648 Ų4824%0.23623%0.232CC..THydrogen-bonded Turntrans-55.6-35.6-176.6-61144.2000113E361 P388 K389 T394E361-I391 HydrophobicContact CB-CD1 4.03Å; E361-I391 HydrophobicContact CB-CG1 4.47Å; E361-I391 HydrophobicContact CB-CG2 4.07Å; E361-I391 HydrophobicContact CG-CD1 3.55Å; E361-I391 HydrophobicContact CG-CG1 3.94Å; E361-I391 HydrophobicContact CG-CG2 4.36Å; P388-I391 HydrophobicContact CG-CD1 4.13Å; P388-I391 WeakPolarHBondContact O-CD1 3.37Å; P388-I391 VanDerWaalsContact O-CG1 3.26Å; P388-I391 WeakPolarHBondContact O-CG1 3.31Å; P388-I391 PolarHBondContact O-N 2.59Å; K389-I391 VanDerWaalsContact C-N 3.35Å; K389-I391 PolarHBondContact O-N 2.87Å; I391-T394 VanDerWaalsContact O-CG2 3.26Å; I391-T394 WeakPolarHBondContact O-CG2 3.23Å
392L80.5Confident79.9Confident6 Ų653 Ų533%0.03126%0.256CS..THydrogen-bonded Turntrans-93.1-2.5179.3-69.6179.8000113.2F364 V365 F368 V383 A384 A387 G390 T394 T397F364-L392 HydrophobicContact CB-CD1 3.86Å; F364-L392 HydrophobicContact CB-CG 4.26Å; V365-L392 HydrophobicContact CB-CD2 4.43Å; V365-L392 HydrophobicContact CG2-CD2 3.73Å; F368-L392 HydrophobicContact CB-CD1 3.76Å; F368-L392 HydrophobicContact CB-CD2 4.34Å; F368-L392 HydrophobicContact CD2-CD1 4.29Å; F368-L392 HydrophobicContact CG-CD1 4.18Å; F368-L392 HydrophobicContact CG-CD2 4.46Å; V383-L392 HydrophobicContact CG1-CD1 4.09Å; A384-L392 HydrophobicContact CB-CB 3.87Å; A384-L392 HydrophobicContact CB-CD1 4.3Å; A387-L392 HydrophobicContact CB-CB 4.03Å; A387-L392 HydrophobicContact CB-CD1 4.14Å; A387-L392 HydrophobicContact CB-CG 4.09Å; G390-L392 PolarHBondContact O-N 3.18Å; G390-L392 VanDerWaalsContact O-N 3.15Å; L392-T394 PolarHBondContact O-N 2.73Å; L392-T397 WeakPolarHBondContact O-CB 3.4Å; L392-T397 WeakPolarHBondContact O-CG2 3.43Å; L392-T397 PolarHBondContact O-OG1 2.74Å
393R82.7Confident79.8Confident56 Ų5651.5 Ų51.521%0.21126%0.26CS..  trans-86.655.8176.1-66.6-177.364.8-176.2-0.7110.5G390 L421 Q426 L427 N428 E431G390-R393 WeakPolarHBondContact O-CB 3.35Å; G390-R393 PolarHBondContact O-N 3.4Å; R393-L421 HydrophobicContact CG-CD2 4.41Å; R393-Q426 PolarHBondContact NH1-O 2.78Å; R393-Q426 PolarHBondContact NH2-O 3.29Å; R393-L427 VanDerWaalsContact NH2-CA 3.28Å; R393-N428 VanDerWaalsContact NH2-N 3.19Å; R393-N428 PolarHBondContact O-ND2 3.16Å; R393-E431 WeakPolarHBondContact CB-OE1 3.47Å; R393-E431 WeakPolarHBondContact CG-OE1 3.45Å; R393-E431 IonicContact CZ-OE2 3.95Å; R393-E431 VanDerWaalsContact CZ-OE2 3.25Å; R393-E431 IonicContact NE-OE1 4Å; R393-E431 PolarHBondContact NE-OE1 3.32Å; R393-E431 IonicContact NE-OE2 3.02Å; R393-E431 PolarHBondContact NE-OE2 2.69Å; R393-E431 IonicContact NH2-OE2 3.95Å; R393-E431 PolarHBondContact NH2-OE2 2.9Å
394T84.5Confident79.8Confident56 Ų5652 Ų5234%0.34426%0.262SS..SBendtrans-116.2164.2-174.760.40000111.5I391 L392 E396 T397 V398I391-T394 VanDerWaalsContact O-CG2 3.26Å; I391-T394 WeakPolarHBondContact O-CG2 3.23Å; L392-T394 PolarHBondContact O-N 2.73Å; T394-E396 PolarHBondContact O-N 3.16Å; T394-T397 PolarHBondContact O-N 2.95Å; T394-T397 VanDerWaalsContact O-N 3.15Å; T394-T397 PolarHBondContact OG1-OG1 3.38Å; T394-V398 PolarHBondContact O-N 3.05Å
395R81.6Confident79.4Confident161 Ų16157 Ų5761%0.60830%0.295SS*.Hα-helixtrans-55.2-36.6175.9-169.2175.6-176.8175.12.2112.6T397 V398 Q399 L430R395-T397 PolarHBondContact O-N 3.42Å; R395-V398 PolarHBondContact O-N 3.32Å; R395-Q399 HydrophobicContact CG-CG 4.46Å; R395-Q399 WeakPolarHBondContact O-CB 3.37Å; R395-Q399 VanDerWaalsContact O-CG 3.31Å; R395-Q399 WeakPolarHBondContact O-CG 3.11Å; R395-Q399 PolarHBondContact O-N 3.28Å; R395-L430 HydrophobicContact CB-CD1 4.31Å
396E83.6Confident79Confident131 Ų13159.7 Ų59.761%0.61232%0.317SS*.Hα-helixtrans-63.6-40.9179.1-64-177-176.900112.5T394 Q399 K400T394-E396 PolarHBondContact O-N 3.16Å; E396-Q399 PolarHBondContact O-N 2.7Å; E396-K400 WeakPolarHBondContact O-CG 3.39Å; E396-K400 PolarHBondContact O-N 3.22Å
397T85.4Confident78.5Confident5 Ų564.4 Ų64.43%0.03133%0.334CS..Hα-helixtrans-65.4-43.6177.8-58.30000111.1F368 A384 L392 T394 R395 K400 F401 Y417F368-T397 HydrophobicContact CE1-CG2 4.36Å; F368-T397 HydrophobicContact CE2-CG2 3.9Å; F368-T397 HydrophobicContact CZ-CG2 3.66Å; A384-T397 HydrophobicContact CB-CG2 4.09Å; L392-T397 WeakPolarHBondContact O-CB 3.4Å; L392-T397 WeakPolarHBondContact O-CG2 3.43Å; L392-T397 PolarHBondContact O-OG1 2.74Å; T394-T397 PolarHBondContact O-N 2.95Å; T394-T397 VanDerWaalsContact O-N 3.15Å; T394-T397 PolarHBondContact OG1-OG1 3.38Å; R395-T397 PolarHBondContact O-N 3.42Å; T397-K400 WeakPolarHBondContact O-CB 3.47Å; T397-K400 PolarHBondContact O-N 3.04Å; T397-F401 HydrophobicContact CG2-CD2 3.96Å; T397-F401 HydrophobicContact CG2-CE2 3.76Å; T397-F401 VanDerWaalsContact O-CD2 3.26Å; T397-F401 WeakPolarHBondContact O-CD2 3.44Å; T397-F401 PolarHBondContact O-N 3.01Å; T397-F401 VanDerWaalsContact O-N 3.08Å; T397-Y417 HydrophobicContact CG2-CE2 4.41Å
398V84Confident77.4Confident6 Ų670.2 Ų70.24%0.03637%0.374CS..Hα-helixtrans-62-44.9176.4178.70000110.9T394 R395 K400 F401 Q402 L414 Y417 F418 E431 E434T394-V398 PolarHBondContact O-N 3.05Å; R395-V398 PolarHBondContact O-N 3.32Å; V398-K400 VanDerWaalsContact C-N 3.34Å; V398-K400 PolarHBondContact O-N 3.42Å; V398-F401 PolarHBondContact O-N 3.34Å; V398-Q402 WeakPolarHBondContact O-CB 3.2Å; V398-Q402 PolarHBondContact O-N 3.38Å; V398-L414 HydrophobicContact CG1-CD1 4.04Å; V398-Y417 HydrophobicContact CG2-CE1 4.15Å; V398-F418 HydrophobicContact CG1-CZ 4.35Å; V398-E431 HydrophobicContact CG2-CG 4.38Å; V398-E434 HydrophobicContact CG1-CB 4.34Å; V398-E434 HydrophobicContact CG1-CG 4.08Å
399Q83.3Confident77.2Confident93 Ų9374 Ų7444%0.43542%0.416SS..Hα-helixtrans-61.8-39.1176.2-76.2176.8-15.500112.7R395 E396 Q402 S403R395-Q399 HydrophobicContact CG-CG 4.46Å; R395-Q399 WeakPolarHBondContact O-CB 3.37Å; R395-Q399 VanDerWaalsContact O-CG 3.31Å; R395-Q399 WeakPolarHBondContact O-CG 3.11Å; R395-Q399 PolarHBondContact O-N 3.28Å; E396-Q399 PolarHBondContact O-N 2.7Å; Q399-Q402 PolarHBondContact O-N 3.18Å; Q399-S403 PolarHBondContact O-N 3.37Å
400K84.2Confident77.1Confident67 Ų6773.2 Ų73.229%0.29141%0.414SS..Hα-helixtrans-59.3-50.8173.4-77.7176.9-179.4173.20110.7F368 N369 F372 E396 T397 V398 Q402 S403F368-K400 HydrophobicContact CE1-CD 3.88Å; N369-K400 PolarHBondContact OD1-NZ 2.95Å; F372-K400 HydrophobicContact CE1-CB 4.31Å; F372-K400 HydrophobicContact CE2-CB 4.02Å; F372-K400 HydrophobicContact CZ-CB 3.74Å; F372-K400 WeakPolarHBondContact CZ-O 3.36Å; E396-K400 WeakPolarHBondContact O-CG 3.39Å; E396-K400 PolarHBondContact O-N 3.22Å; T397-K400 WeakPolarHBondContact O-CB 3.47Å; T397-K400 PolarHBondContact O-N 3.04Å; V398-K400 VanDerWaalsContact C-N 3.34Å; V398-K400 PolarHBondContact O-N 3.42Å; K400-Q402 VanDerWaalsContact C-N 3.29Å; K400-Q402 PolarHBondContact O-N 3.01Å; K400-S403 PolarHBondContact O-N 3.45Å; K400-S403 PolarHBondContact O-OG 3.07Å
401F85.2Confident76.7Confident0 Ų074.5 Ų74.50%042%0.422CS..Hα-helixtrans-63.5-32.9176.8-77.8-67.9000113.6F368 F372 A380 A381 T397 V398 P413 L414 Y417F368-F401 AromaticContact CE2-CE2 3.62Å; F368-F401 HydrophobicContact CE2-CE2 3.62Å; F368-F401 AromaticContact CE2-CZ 3.73Å; F368-F401 HydrophobicContact CE2-CZ 3.73Å; F368-F401 HydrophobicContact CZ-CD2 4.42Å; F368-F401 AromaticContact CZ-CE2 3.68Å; F368-F401 HydrophobicContact CZ-CE2 3.68Å; F368-F401 AromaticContact CZ-CZ 3.98Å; F368-F401 HydrophobicContact CZ-CZ 3.98Å; F372-F401 HydrophobicContact CD2-CE1 4.17Å; F372-F401 HydrophobicContact CD2-CZ 4.31Å; F372-F401 AromaticContact CE2-CD1 3.79Å; F372-F401 HydrophobicContact CE2-CD1 3.79Å; F372-F401 AromaticContact CE2-CE1 3.82Å; F372-F401 HydrophobicContact CE2-CE1 3.82Å; F372-F401 HydrophobicContact CE2-CG 4.16Å; F372-F401 HydrophobicContact CE2-CZ 4.22Å; A380-F401 HydrophobicContact CB-CZ 4.24Å; A381-F401 HydrophobicContact CB-CE1 4.47Å; A381-F401 HydrophobicContact CB-CZ 3.98Å; T397-F401 HydrophobicContact CG2-CD2 3.96Å; T397-F401 HydrophobicContact CG2-CE2 3.76Å; T397-F401 VanDerWaalsContact O-CD2 3.26Å; T397-F401 WeakPolarHBondContact O-CD2 3.44Å; T397-F401 PolarHBondContact O-N 3.01Å; T397-F401 VanDerWaalsContact O-N 3.08Å; V398-F401 PolarHBondContact O-N 3.34Å; F401-P413 HydrophobicContact CD1-CB 4.01Å; F401-L414 HydrophobicContact CB-CB 4.21Å; F401-L414 HydrophobicContact CB-CD1 3.88Å; F401-Y417 HydrophobicContact CD2-CD1 4.4Å; F401-Y417 HydrophobicContact CD2-CD2 4.16Å; F401-Y417 AromaticContact CD2-CG 3.99Å; F401-Y417 HydrophobicContact CD2-CG 3.99Å; F401-Y417 AromaticContact CE2-CD2 3.71Å; F401-Y417 HydrophobicContact CE2-CD2 3.71Å; F401-Y417 HydrophobicContact CE2-CE2 4.22Å; F401-Y417 AromaticContact CE2-CG 3.99Å; F401-Y417 HydrophobicContact CE2-CG 3.99Å; F401-Y417 HydrophobicContact CZ-CD2 4.31Å
402Q82.4Confident76.7Confident105 Ų10574.2 Ų74.249%0.49142%0.424SS..Hα-helixtrans-69.3-31.9176.5-170.51792900113V398 Q399 K400 I404 L414V398-Q402 WeakPolarHBondContact O-CB 3.2Å; V398-Q402 PolarHBondContact O-N 3.38Å; Q399-Q402 PolarHBondContact O-N 3.18Å; K400-Q402 VanDerWaalsContact C-N 3.29Å; K400-Q402 PolarHBondContact O-N 3.01Å; Q402-I404 PolarHBondContact O-N 2.87Å; Q402-L414 HydrophobicContact CB-CD2 4.26Å; Q402-L414 HydrophobicContact CG-CD2 4.45Å
403S81.8Confident76.7Confident89 Ų8974.5 Ų74.562%0.62243%0.427SS*.THydrogen-bonded Turntrans-68.3-12.6-179.671.90000114.3Q399 K400Q399-S403 PolarHBondContact O-N 3.37Å; K400-S403 PolarHBondContact O-N 3.45Å; K400-S403 PolarHBondContact O-OG 3.07Å
404I80.9Confident76.7Confident25 Ų2572.2 Ų72.213%0.12842%0.419CS..SBendtrans-90.3121-180-58.9160000109.8F372 Y377 Q402 P413F372-I404 HydrophobicContact CE1-CD1 3.91Å; F372-I404 HydrophobicContact CE1-CG1 4.44Å; F372-I404 HydrophobicContact CE2-CD1 3.78Å; F372-I404 HydrophobicContact CZ-CD1 3.24Å; F372-I404 HydrophobicContact CZ-CG1 4.01Å; Y377-I404 HydrophobicContact CD1-CD1 3.57Å; Y377-I404 HydrophobicContact CD2-CD1 4.48Å; Y377-I404 HydrophobicContact CE1-CD1 3.18Å; Y377-I404 HydrophobicContact CE1-CG1 4.28Å; Y377-I404 HydrophobicContact CE2-CD1 4.14Å; Y377-I404 HydrophobicContact CE2-CG2 4.21Å; Y377-I404 HydrophobicContact CG-CD1 4.22Å; Y377-I404 VanDerWaalsContact CZ-CD1 3.49Å; Q402-I404 PolarHBondContact O-N 2.87Å; I404-P413 HydrophobicContact CB-CG 4.39Å; I404-P413 HydrophobicContact CD1-CB 4.38Å; I404-P413 HydrophobicContact CG2-CG 3.98Å
405P73.5Confident76.5Confident106 Ų10673.4 Ų73.469%0.68842%0.422SS*.PPolyproline II helixtrans-68.3140.517527.6-32.7000111.1Q407P405-Q407 PolarHBondContact O-N 3.49Å
406A68.2Low76.5Confident66 Ų6668.6 Ų68.655%0.54541%0.407SS..PPolyproline II helixtrans-67125.6176.300000110.8
407Q66.6Low76.6Confident141 Ų14162.3 Ų62.366%0.65938%0.377SS*.PPolyproline II helixtrans-74.4139.6171.2-69.7-175.6-3.700110.2P405 G409 Q410P405-Q407 PolarHBondContact O-N 3.49Å; Q407-G409 PolarHBondContact O-N 3.27Å; Q407-G409 VanDerWaalsContact O-N 3.12Å; Q407-Q410 PolarHBondContact O-N 3.31Å; Q407-Q410 VanDerWaalsContact O-N 3.14Å
408S50.9Low76.6Confident129 Ų12962.1 Ų62.190%0.90238%0.376SS*.THydrogen-bonded Turntrans-57.5116.1-178.653.50000111.4
409G63.4Low76.6Confident90 Ų9063.2 Ų63.293%0.92839%0.389SS*.THydrogen-bonded Turntrans98-8.2178.100000115.8Q407Q407-G409 PolarHBondContact O-N 3.27Å; Q407-G409 VanDerWaalsContact O-N 3.12Å
410Q65.7Low76.6Confident132 Ų13260.3 Ų60.362%0.61738%0.376SS*.SBendtrans-109.6145.3172.9-68.3-170-8.500111.5Q407 S412Q407-Q410 PolarHBondContact O-N 3.31Å; Q407-Q410 VanDerWaalsContact O-N 3.14Å; Q410-S412 PolarHBondContact O-N 2.99Å
411A64.5Low76.5Confident54 Ų5457.2 Ų57.245%0.44636%0.362SS..  trans-61.2135.4173.300000109.9L415 Q416A411-L415 HydrophobicContact CB-CD2 4.49Å; A411-Q416 HydrophobicContact CB-CG 4.16Å; A411-Q416 PolarHBondContact O-NE2 3.24Å
412S78.3Confident76.4Confident40 Ų4058 Ų5828%0.2837%0.366SS..  trans-49.4134.4177168.80000110.7Q410 L414 L415 Q416Q410-S412 PolarHBondContact O-N 2.99Å; S412-L414 PolarHBondContact O-N 2.92Å; S412-L414 VanDerWaalsContact O-N 3.1Å; S412-L414 PolarHBondContact OG-N 3.23Å; S412-L415 WeakPolarHBondContact O-CA 3.13Å; S412-L415 WeakPolarHBondContact O-CB 3.42Å; S412-L415 PolarHBondContact O-N 3.05Å; S412-Q416 PolarHBondContact O-N 3.37Å
413P79.7Confident76.3Confident13 Ų1359.7 Ų59.78%0.08438%0.379CS..Hα-helixtrans-50.9-33.6175.6-30.537.5000113.6Y377 F401 I404 Q416 Y417Y377-P413 HydrophobicContact CD2-CB 4.22Å; Y377-P413 HydrophobicContact CD2-CG 3.83Å; Y377-P413 HydrophobicContact CE2-CG 4.36Å; Y377-P413 HydrophobicContact CG-CB 4.09Å; Y377-P413 HydrophobicContact CG-CG 4.22Å; F401-P413 HydrophobicContact CD1-CB 4.01Å; I404-P413 HydrophobicContact CB-CG 4.39Å; I404-P413 HydrophobicContact CD1-CB 4.38Å; I404-P413 HydrophobicContact CG2-CG 3.98Å; P413-Q416 PolarHBondContact O-N 3.44Å; P413-Y417 PolarHBondContact O-N 3.32Å
414L82.7Confident76Confident8 Ų860.7 Ų60.74%0.04237%0.374CS..Hα-helixtrans-66.3-39.4175.1-178.161.3000112.6V398 F401 Q402 S412 Y417 F418 L438V398-L414 HydrophobicContact CG1-CD1 4.04Å; F401-L414 HydrophobicContact CB-CB 4.21Å; F401-L414 HydrophobicContact CB-CD1 3.88Å; Q402-L414 HydrophobicContact CB-CD2 4.26Å; Q402-L414 HydrophobicContact CG-CD2 4.45Å; S412-L414 PolarHBondContact O-N 2.92Å; S412-L414 VanDerWaalsContact O-N 3.1Å; S412-L414 PolarHBondContact OG-N 3.23Å; L414-Y417 WeakPolarHBondContact O-CB 3.25Å; L414-Y417 PolarHBondContact O-N 3.39Å; L414-F418 HydrophobicContact CD1-CD2 4.2Å; L414-F418 HydrophobicContact CD1-CE2 3.52Å; L414-F418 HydrophobicContact CD1-CZ 3.91Å; L414-F418 HydrophobicContact CD2-CE2 4.3Å; L414-F418 HydrophobicContact CG-CD2 4.14Å; L414-F418 HydrophobicContact CG-CE2 3.66Å; L414-F418 VanDerWaalsContact O-CD2 3.22Å; L414-F418 WeakPolarHBondContact O-CD2 3.43Å; L414-F418 PolarHBondContact O-N 3.39Å; L414-F418 VanDerWaalsContact O-N 3.13Å; L414-L438 HydrophobicContact CD2-CD1 3.69Å; L414-L438 HydrophobicContact CG-CD1 4.27Å
415L81.4Confident75.9Confident80 Ų8061.2 Ų61.242%0.41939%0.385SS..Hα-helixtrans-71.3-34176.9-159.1116.2000111.4A411 S412 G419A411-L415 HydrophobicContact CB-CD2 4.49Å; S412-L415 WeakPolarHBondContact O-CA 3.13Å; S412-L415 WeakPolarHBondContact O-CB 3.42Å; S412-L415 PolarHBondContact O-N 3.05Å; L415-G419 PolarHBondContact O-N 3.32Å
416Q81Confident76.4Confident60 Ų6061.2 Ų61.228%0.2838%0.376SS..Hα-helixtrans-64.3-41.4171.9-63.1-17916.500111.4A411 S412 P413 G419 I420A411-Q416 HydrophobicContact CB-CG 4.16Å; A411-Q416 PolarHBondContact O-NE2 3.24Å; S412-Q416 PolarHBondContact O-N 3.37Å; P413-Q416 PolarHBondContact O-N 3.44Å; Q416-G419 PolarHBondContact O-N 3.25Å; Q416-I420 WeakPolarHBondContact O-CD1 3.49Å; Q416-I420 WeakPolarHBondContact O-CG1 3.46Å; Q416-I420 PolarHBondContact O-N 3.43Å; Q416-I420 VanDerWaalsContact O-N 3.07Å
417Y85.7Confident77.2Confident0 Ų058.1 Ų58.10%035%0.35CS..Hα-helixtrans-58.4-51.4174.8173.6-108.4000112.3A381 A384 T397 V398 F401 P413 L414 G419 I420 L421 E431A381-Y417 HydrophobicContact CB-CD2 3.83Å; A381-Y417 HydrophobicContact CB-CG 4.46Å; A384-Y417 HydrophobicContact CB-CD2 4.43Å; A384-Y417 HydrophobicContact CB-CE2 3.66Å; T397-Y417 HydrophobicContact CG2-CE2 4.41Å; V398-Y417 HydrophobicContact CG2-CE1 4.15Å; F401-Y417 HydrophobicContact CD2-CD1 4.4Å; F401-Y417 HydrophobicContact CD2-CD2 4.16Å; F401-Y417 AromaticContact CD2-CG 3.99Å; F401-Y417 HydrophobicContact CD2-CG 3.99Å; F401-Y417 AromaticContact CE2-CD2 3.71Å; F401-Y417 HydrophobicContact CE2-CD2 3.71Å; F401-Y417 HydrophobicContact CE2-CE2 4.22Å; F401-Y417 AromaticContact CE2-CG 3.99Å; F401-Y417 HydrophobicContact CE2-CG 3.99Å; F401-Y417 HydrophobicContact CZ-CD2 4.31Å; P413-Y417 PolarHBondContact O-N 3.32Å; L414-Y417 WeakPolarHBondContact O-CB 3.25Å; L414-Y417 PolarHBondContact O-N 3.39Å; Y417-G419 VanDerWaalsContact C-N 3.35Å; Y417-G419 PolarHBondContact O-N 3.47Å; Y417-I420 PolarHBondContact O-N 3.44Å; Y417-L421 HydrophobicContact CD1-CD1 3.98Å; Y417-L421 HydrophobicContact CD2-CD1 4.38Å; Y417-L421 HydrophobicContact CE1-CD1 3.4Å; Y417-L421 VanDerWaalsContact CE1-CD1 3.4Å; Y417-L421 HydrophobicContact CE2-CD1 3.87Å; Y417-L421 HydrophobicContact CE2-CG 4.23Å; Y417-L421 HydrophobicContact CG-CD1 4.44Å; Y417-L421 WeakPolarHBondContact O-CG 3.08Å; Y417-L421 PolarHBondContact O-N 3.4Å; Y417-L421 VanDerWaalsContact O-N 3.11Å; Y417-E431 PolarHBondContact OH-OE1 3.21Å
418F85.1Confident78Confident1 Ų153.1 Ų53.10%0.00433%0.328CS..Hα-helixtrans-65.6-35.9177.7-68-52.2000113.2V398 L414 L421 L422 L427 E431 E434 L435 L438V398-F418 HydrophobicContact CG1-CZ 4.35Å; L414-F418 HydrophobicContact CD1-CD2 4.2Å; L414-F418 HydrophobicContact CD1-CE2 3.52Å; L414-F418 HydrophobicContact CD1-CZ 3.91Å; L414-F418 HydrophobicContact CD2-CE2 4.3Å; L414-F418 HydrophobicContact CG-CD2 4.14Å; L414-F418 HydrophobicContact CG-CE2 3.66Å; L414-F418 VanDerWaalsContact O-CD2 3.22Å; L414-F418 WeakPolarHBondContact O-CD2 3.43Å; L414-F418 PolarHBondContact O-N 3.39Å; L414-F418 VanDerWaalsContact O-N 3.13Å; F418-L421 HydrophobicContact CD1-CD1 4.38Å; F418-L421 PolarHBondContact O-N 3Å; F418-L422 WeakPolarHBondContact O-CB 2.93Å; F418-L422 VanDerWaalsContact O-CG 3.27Å; F418-L422 WeakPolarHBondContact O-CG 3.31Å; F418-L422 PolarHBondContact O-N 2.75Å; F418-L427 HydrophobicContact CD1-CD1 4.43Å; F418-E431 HydrophobicContact CD1-CB 4.34Å; F418-E431 HydrophobicContact CE1-CB 3.73Å; F418-E431 HydrophobicContact CE1-CG 3.99Å; F418-E434 HydrophobicContact CE2-CB 4.38Å; F418-E434 HydrophobicContact CZ-CB 3.85Å; F418-L435 HydrophobicContact CB-CD1 3.92Å; F418-L435 HydrophobicContact CB-CD2 4.5Å; F418-L435 HydrophobicContact CD1-CB 4.34Å; F418-L435 HydrophobicContact CD2-CB 4.14Å; F418-L435 HydrophobicContact CD2-CD1 3.91Å; F418-L435 HydrophobicContact CE1-CB 4.49Å; F418-L435 HydrophobicContact CE2-CB 4.26Å; F418-L435 HydrophobicContact CG-CB 4.19Å; F418-L435 HydrophobicContact CG-CD1 4.04Å; F418-L435 HydrophobicContact CZ-CB 4.44Å; F418-L438 HydrophobicContact CE2-CD1 4.34Å
419G83.6Confident79.5Confident29 Ų2952.1 Ų52.130%0.29931%0.307SS..Hα-helixtrans-58.9-48.7175.100000112.2L415 Q416 Y417 L421 L422 D423L415-G419 PolarHBondContact O-N 3.32Å; Q416-G419 PolarHBondContact O-N 3.25Å; Y417-G419 VanDerWaalsContact C-N 3.35Å; Y417-G419 PolarHBondContact O-N 3.47Å; G419-L421 VanDerWaalsContact C-N 3.32Å; G419-L421 PolarHBondContact O-N 3.18Å; G419-L422 PolarHBondContact O-N 2.74Å; G419-D423 PolarHBondContact O-N 2.86Å; G419-D423 VanDerWaalsContact O-N 3.14Å
420I83.6Confident80.4Confident31 Ų3151.5 Ų51.516%0.15928%0.283CS..Hα-helixtrans-62.5-40.1178-67.6161.2000111.2A381 K382 A385 Q416 Y417 D423 Q424A381-I420 HydrophobicContact CB-CD1 3.72Å; K382-I420 HydrophobicContact CG-CD1 4.03Å; K382-I420 HydrophobicContact CG-CG2 4.09Å; A385-I420 HydrophobicContact CB-CG2 4.03Å; Q416-I420 WeakPolarHBondContact O-CD1 3.49Å; Q416-I420 WeakPolarHBondContact O-CG1 3.46Å; Q416-I420 PolarHBondContact O-N 3.43Å; Q416-I420 VanDerWaalsContact O-N 3.07Å; Y417-I420 PolarHBondContact O-N 3.44Å; I420-D423 PolarHBondContact O-N 3.1Å; I420-Q424 WeakPolarHBondContact O-CG 3.35Å; I420-Q424 PolarHBondContact O-N 2.85Å; I420-Q424 VanDerWaalsContact O-N 3.16Å
421L83.1Confident81.4Confident3 Ų345.3 Ų45.32%0.01625%0.254CS..Hα-helixtrans-66.3-41.9177.5-75.1174000112.7A385 R393 Y417 F418 G419 D423 Q424 G425 L427 E431A385-L421 HydrophobicContact CB-CD2 3.52Å; A385-L421 HydrophobicContact CB-CG 4.24Å; R393-L421 HydrophobicContact CG-CD2 4.41Å; Y417-L421 HydrophobicContact CD1-CD1 3.98Å; Y417-L421 HydrophobicContact CD2-CD1 4.38Å; Y417-L421 HydrophobicContact CE1-CD1 3.4Å; Y417-L421 VanDerWaalsContact CE1-CD1 3.4Å; Y417-L421 HydrophobicContact CE2-CD1 3.87Å; Y417-L421 HydrophobicContact CE2-CG 4.23Å; Y417-L421 HydrophobicContact CG-CD1 4.44Å; Y417-L421 WeakPolarHBondContact O-CG 3.08Å; Y417-L421 PolarHBondContact O-N 3.4Å; Y417-L421 VanDerWaalsContact O-N 3.11Å; F418-L421 HydrophobicContact CD1-CD1 4.38Å; F418-L421 PolarHBondContact O-N 3Å; G419-L421 VanDerWaalsContact C-N 3.32Å; G419-L421 PolarHBondContact O-N 3.18Å; L421-D423 PolarHBondContact O-N 3.36Å; L421-Q424 PolarHBondContact O-N 3.37Å; L421-Q424 VanDerWaalsContact O-N 3.11Å; L421-G425 PolarHBondContact O-N 2.61Å; L421-G425 VanDerWaalsContact O-O 3.06Å; L421-L427 HydrophobicContact CB-CD2 3.37Å; L421-L427 HydrophobicContact CD1-CD2 3.86Å; L421-L427 HydrophobicContact CG-CD2 4.26Å; L421-E431 HydrophobicContact CD1-CG 4.41Å; L421-E431 WeakPolarHBondContact CD1-OE1 3.33Å
422L82.8Confident82.4Confident15 Ų1542.7 Ų42.78%0.07923%0.232CC..Hα-helixtrans-63.9-28.5177.3-75.3168.7000112.9F418 G419 L427 L435 W451 K456 L457F418-L422 WeakPolarHBondContact O-CB 2.93Å; F418-L422 VanDerWaalsContact O-CG 3.27Å; F418-L422 WeakPolarHBondContact O-CG 3.31Å; F418-L422 PolarHBondContact O-N 2.75Å; G419-L422 PolarHBondContact O-N 2.74Å; L422-L427 HydrophobicContact CD2-CD1 3.76Å; L422-L427 HydrophobicContact CD2-CG 3.89Å; L422-L427 HydrophobicContact CG-CD1 4.08Å; L422-L427 HydrophobicContact CG-CD2 4.49Å; L422-L427 HydrophobicContact CG-CG 4.33Å; L422-L435 HydrophobicContact CD1-CD2 3.93Å; L422-L435 HydrophobicContact CD2-CD2 4.47Å; L422-L435 HydrophobicContact CG-CD2 4.48Å; L422-W451 HydrophobicContact CD1-CD2 4.47Å; L422-W451 HydrophobicContact CD1-CZ2 3.84Å; L422-K456 HydrophobicContact CD2-CB 3.83Å; L422-K456 HydrophobicContact CD2-CD 4.19Å; L422-L457 HydrophobicContact CD2-CD2 4.39Å
423D80.3Confident82.7Confident142 Ų14241.9 Ų41.976%0.75922%0.224SC*.Hα-helixtrans-77.1-30.4174-71.2-19.2000112G419 I420 L421G419-D423 PolarHBondContact O-N 2.86Å; G419-D423 VanDerWaalsContact O-N 3.14Å; I420-D423 PolarHBondContact O-N 3.1Å; L421-D423 PolarHBondContact O-N 3.36Å
424Q74.7Confident82.8Confident110 Ų11044.1 Ų44.151%0.51423%0.234SC..Hα-helixtrans-85.4-33.5179.9-72.4-172.65.300113.9A385 I420 L421A385-Q424 VanDerWaalsContact C-OE1 3.3Å; A385-Q424 PolarHBondContact O-OE1 2.74Å; I420-Q424 WeakPolarHBondContact O-CG 3.35Å; I420-Q424 PolarHBondContact O-N 2.85Å; I420-Q424 VanDerWaalsContact O-N 3.16Å; L421-Q424 PolarHBondContact O-N 3.37Å; L421-Q424 VanDerWaalsContact O-N 3.11Å
425G79Confident82.8Confident36 Ų3644 Ų4437%0.37123%0.233SC..SBendtrans170.7-157.8-178.600000115.2L421L421-G425 PolarHBondContact O-N 2.61Å; L421-G425 VanDerWaalsContact O-O 3.06Å
426Q83.8Confident82.8Confident106 Ų10640.1 Ų40.150%0.49521%0.213SC..PPolyproline II helixtrans-75.6134.9-178.1-169178.320.200111.8R393 K456 L457R393-Q426 PolarHBondContact NH1-O 2.78Å; R393-Q426 PolarHBondContact NH2-O 3.29Å; Q426-K456 CarbonylContact C-O 3.54Å; Q426-K456 WeakPolarHBondContact CA-O 3.4Å; Q426-L457 PolarHBondContact NE2-O 3.12Å
427L84.9Confident82.9Confident1 Ų141.7 Ų41.71%0.00522%0.22CC..BIsolated β-bridgetrans-72.8144.7173.2-63.2-172.2000111.7R393 F418 L421 L422 E431 L435 K456 L457 E458R393-L427 VanDerWaalsContact NH2-CA 3.28Å; F418-L427 HydrophobicContact CD1-CD1 4.43Å; L421-L427 HydrophobicContact CB-CD2 3.37Å; L421-L427 HydrophobicContact CD1-CD2 3.86Å; L421-L427 HydrophobicContact CG-CD2 4.26Å; L422-L427 HydrophobicContact CD2-CD1 3.76Å; L422-L427 HydrophobicContact CD2-CG 3.89Å; L422-L427 HydrophobicContact CG-CD1 4.08Å; L422-L427 HydrophobicContact CG-CD2 4.49Å; L422-L427 HydrophobicContact CG-CG 4.33Å; L427-E431 HydrophobicContact CB-CB 4.11Å; L427-E431 HydrophobicContact CD2-CB 4.38Å; L427-L435 HydrophobicContact CD1-CB 4.41Å; L427-L435 HydrophobicContact CD1-CD2 3.42Å; L427-L435 VanDerWaalsContact CD1-CD2 3.42Å; L427-K456 PolarHBondContact N-O 3.3Å; L427-L457 HydrophobicContact CB-CD2 4.31Å; L427-L457 HydrophobicContact CD1-CD2 3.72Å; L427-L457 HydrophobicContact CG-CD2 4.26Å; L427-E458 WeakPolarHBondContact O-CB 3.33Å; L427-E458 PolarHBondContact O-N 3.15Å
428N84.4Confident82.6Confident36 Ų3643.8 Ų43.819%0.19323%0.231CC..PPolyproline II helixtrans-78.7169.6176.170.625.3000111.6R393 L430 E431 S432 E458R393-N428 VanDerWaalsContact NH2-N 3.19Å; R393-N428 PolarHBondContact O-ND2 3.16Å; N428-L430 VanDerWaalsContact C-N 3.28Å; N428-L430 PolarHBondContact O-N 3.32Å; N428-L430 VanDerWaalsContact O-N 3.16Å; N428-L430 PolarHBondContact OD1-N 3.47Å; N428-E431 VanDerWaalsContact CG-OE2 3.28Å; N428-E431 PolarHBondContact N-OE2 3.14Å; N428-E431 VanDerWaalsContact N-OE2 3.1Å; N428-E431 PolarHBondContact O-N 3.02Å; N428-E431 VanDerWaalsContact OD1-CB 3.25Å; N428-E431 WeakPolarHBondContact OD1-CB 3.37Å; N428-E431 WeakPolarHBondContact OD1-CG 3.29Å; N428-E431 PolarHBondContact OD1-N 3.49Å; N428-E431 PolarHBondContact OD1-OE2 3.39Å; N428-S432 WeakPolarHBondContact O-CB 3.35Å; N428-S432 PolarHBondContact O-N 3.34Å; N428-S432 PolarHBondContact O-OG 3.37Å; N428-S432 VanDerWaalsContact O-OG 3.06Å; N428-E458 WeakPolarHBondContact CA-OE2 3.29Å
429K82.9Confident82.4Confident107 Ų10744 Ų4447%0.46523%0.233SC..Hα-helixtrans-48.5-45.2-179.1-60.8-174.9-178.1177.40114.1L433 E458K429-L433 WeakPolarHBondContact O-CB 3.48Å; K429-L433 WeakPolarHBondContact O-CD1 3.33Å; K429-L433 VanDerWaalsContact O-CG 3.24Å; K429-L433 WeakPolarHBondContact O-CG 3.41Å; K429-L433 PolarHBondContact O-N 2.87Å; K429-L433 VanDerWaalsContact O-N 3.09Å; K429-E458 WeakPolarHBondContact CE-OE1 3.49Å; K429-E458 VanDerWaalsContact CG-CD 3.42Å; K429-E458 HydrophobicContact CG-CG 3.87Å; K429-E458 PolarHBondContact N-OE2 3.46Å
430L82Confident82.1Confident78 Ų7843.9 Ų43.941%0.40823%0.225SC..Hα-helixtrans-71.2-43-177.3-66.2171.7000112R395 N428 L433 E434R395-L430 HydrophobicContact CB-CD1 4.31Å; N428-L430 VanDerWaalsContact C-N 3.28Å; N428-L430 PolarHBondContact O-N 3.32Å; N428-L430 VanDerWaalsContact O-N 3.16Å; N428-L430 PolarHBondContact OD1-N 3.47Å; L430-L433 WeakPolarHBondContact O-CB 3.39Å; L430-L433 PolarHBondContact O-N 2.85Å; L430-E434 PolarHBondContact O-N 3.38Å; L430-E434 VanDerWaalsContact O-N 3.08Å
431E85.1Confident81.8Confident1 Ų149.8 Ų49.81%0.00525%0.252CS..Hα-helixtrans-67.9-41.7178.9-70.8166.6162.500111.3R393 V398 Y417 F418 L421 L427 N428 L433 E434 L435R393-E431 WeakPolarHBondContact CB-OE1 3.47Å; R393-E431 WeakPolarHBondContact CG-OE1 3.45Å; R393-E431 IonicContact CZ-OE2 3.95Å; R393-E431 VanDerWaalsContact CZ-OE2 3.25Å; R393-E431 IonicContact NE-OE1 4Å; R393-E431 PolarHBondContact NE-OE1 3.32Å; R393-E431 IonicContact NE-OE2 3.02Å; R393-E431 PolarHBondContact NE-OE2 2.69Å; R393-E431 IonicContact NH2-OE2 3.95Å; R393-E431 PolarHBondContact NH2-OE2 2.9Å; V398-E431 HydrophobicContact CG2-CG 4.38Å; Y417-E431 PolarHBondContact OH-OE1 3.21Å; F418-E431 HydrophobicContact CD1-CB 4.34Å; F418-E431 HydrophobicContact CE1-CB 3.73Å; F418-E431 HydrophobicContact CE1-CG 3.99Å; L421-E431 HydrophobicContact CD1-CG 4.41Å; L421-E431 WeakPolarHBondContact CD1-OE1 3.33Å; L427-E431 HydrophobicContact CB-CB 4.11Å; L427-E431 HydrophobicContact CD2-CB 4.38Å; N428-E431 VanDerWaalsContact CG-OE2 3.28Å; N428-E431 PolarHBondContact N-OE2 3.14Å; N428-E431 VanDerWaalsContact N-OE2 3.1Å; N428-E431 PolarHBondContact O-N 3.02Å; N428-E431 VanDerWaalsContact OD1-CB 3.25Å; N428-E431 WeakPolarHBondContact OD1-CB 3.37Å; N428-E431 WeakPolarHBondContact OD1-CG 3.29Å; N428-E431 PolarHBondContact OD1-N 3.49Å; N428-E431 PolarHBondContact OD1-OE2 3.39Å; E431-L433 VanDerWaalsContact C-N 3.31Å; E431-L433 PolarHBondContact O-N 3.48Å; E431-E434 PolarHBondContact O-N 3.36Å; E431-L435 VanDerWaalsContact O-CB 3.24Å; E431-L435 WeakPolarHBondContact O-CB 3.25Å; E431-L435 PolarHBondContact O-N 3.21Å
432S86.1Confident81.5Confident0 Ų054.6 Ų54.60%027%0.274CS..Hα-helixtrans-57.1-46.3171.7-64.50000110.6N428 C436 E458N428-S432 WeakPolarHBondContact O-CB 3.35Å; N428-S432 PolarHBondContact O-N 3.34Å; N428-S432 PolarHBondContact O-OG 3.37Å; N428-S432 VanDerWaalsContact O-OG 3.06Å; S432-C436 WeakPolarHBondContact O-CB 2.99Å; S432-C436 PolarHBondContact O-N 3.44Å; S432-C436 PolarHBondContact O-SG 2.91Å; S432-E458 WeakPolarHBondContact CB-O 3.37Å; S432-E458 PolarHBondContact OG-N 2.96Å; S432-E458 PolarHBondContact OG-O 2.88Å; S432-E458 VanDerWaalsContact OG-O 3.09Å
433L84Confident81.1Confident22 Ų2256.9 Ų56.912%0.11530%0.301CS..Hα-helixtrans-59.2-52.9178.7-82.1164.6000113.2K429 L430 E431 C436 H437 E462 L463K429-L433 WeakPolarHBondContact O-CB 3.48Å; K429-L433 WeakPolarHBondContact O-CD1 3.33Å; K429-L433 VanDerWaalsContact O-CG 3.24Å; K429-L433 WeakPolarHBondContact O-CG 3.41Å; K429-L433 PolarHBondContact O-N 2.87Å; K429-L433 VanDerWaalsContact O-N 3.09Å; L430-L433 WeakPolarHBondContact O-CB 3.39Å; L430-L433 PolarHBondContact O-N 2.85Å; E431-L433 VanDerWaalsContact C-N 3.31Å; E431-L433 PolarHBondContact O-N 3.48Å; L433-C436 PolarHBondContact O-N 3.32Å; L433-H437 WeakPolarHBondContact O-CB 3.42Å; L433-H437 PolarHBondContact O-N 3.44Å; L433-E462 HydrophobicContact CD1-CB 3.98Å; L433-E462 WeakPolarHBondContact CD1-OE2 3.47Å; L433-E462 HydrophobicContact CD2-CB 3.71Å; L433-E462 HydrophobicContact CG-CB 4.46Å; L433-L463 VanDerWaalsContact CD2-CA 3.49Å; L433-L463 HydrophobicContact CD2-CB 3.83Å; L433-L463 HydrophobicContact CD2-CD1 4.33Å; L433-L463 VanDerWaalsContact CD2-N 3.35Å; L433-L463 HydrophobicContact CG-CB 4.33Å
434E82.2Confident81Confident60 Ų6057.2 Ų57.228%0.2829%0.292SS..Hα-helixtrans-67.1-40.6-176.9-70.9-71.816900111.9V398 F418 L430 E431 H437 L438V398-E434 HydrophobicContact CG1-CB 4.34Å; V398-E434 HydrophobicContact CG1-CG 4.08Å; F418-E434 HydrophobicContact CE2-CB 4.38Å; F418-E434 HydrophobicContact CZ-CB 3.85Å; L430-E434 PolarHBondContact O-N 3.38Å; L430-E434 VanDerWaalsContact O-N 3.08Å; E431-E434 PolarHBondContact O-N 3.36Å; E434-H437 PolarHBondContact O-N 3.04Å; E434-L438 WeakPolarHBondContact O-CG 3.23Å; E434-L438 PolarHBondContact O-N 3.49Å; E434-L438 VanDerWaalsContact O-N 3.13Å
435L84.1Confident81.1Confident5 Ų556.3 Ų56.33%0.02629%0.286CS..Hα-helixtrans-61.6-47.1173.7177.564.6000111F418 L422 L427 E431 L438 V439 W451 L457F418-L435 HydrophobicContact CB-CD1 3.92Å; F418-L435 HydrophobicContact CB-CD2 4.5Å; F418-L435 HydrophobicContact CD1-CB 4.34Å; F418-L435 HydrophobicContact CD2-CB 4.14Å; F418-L435 HydrophobicContact CD2-CD1 3.91Å; F418-L435 HydrophobicContact CE1-CB 4.49Å; F418-L435 HydrophobicContact CE2-CB 4.26Å; F418-L435 HydrophobicContact CG-CB 4.19Å; F418-L435 HydrophobicContact CG-CD1 4.04Å; F418-L435 HydrophobicContact CZ-CB 4.44Å; L422-L435 HydrophobicContact CD1-CD2 3.93Å; L422-L435 HydrophobicContact CD2-CD2 4.47Å; L422-L435 HydrophobicContact CG-CD2 4.48Å; L427-L435 HydrophobicContact CD1-CB 4.41Å; L427-L435 HydrophobicContact CD1-CD2 3.42Å; L427-L435 VanDerWaalsContact CD1-CD2 3.42Å; E431-L435 VanDerWaalsContact O-CB 3.24Å; E431-L435 WeakPolarHBondContact O-CB 3.25Å; E431-L435 PolarHBondContact O-N 3.21Å; L435-L438 PolarHBondContact O-N 3.47Å; L435-V439 HydrophobicContact CD1-CG2 4.16Å; L435-V439 HydrophobicContact CG-CG2 4.49Å; L435-V439 WeakPolarHBondContact O-CB 3.34Å; L435-V439 VanDerWaalsContact O-CG2 3.26Å; L435-V439 WeakPolarHBondContact O-CG2 3.24Å; L435-V439 PolarHBondContact O-N 2.99Å; L435-W451 HydrophobicContact CD1-CH2 4.11Å; L435-W451 HydrophobicContact CD1-CZ3 4.29Å; L435-W451 HydrophobicContact CD2-CE3 4.06Å; L435-W451 HydrophobicContact CD2-CH2 3.97Å; L435-W451 HydrophobicContact CD2-CZ3 3.68Å; L435-W451 HydrophobicContact CG-CH2 4.2Å; L435-W451 HydrophobicContact CG-CZ3 3.9Å; L435-L457 HydrophobicContact CD2-CD2 4.25Å
436C81.3Confident81.2Confident0 Ų062 Ų620%030%0.303CS..Hα-helixtrans-67.5-37.3-178.4-65.60000111.5S432 L433 L438 V439 L440 L448 L463S432-C436 WeakPolarHBondContact O-CB 2.99Å; S432-C436 PolarHBondContact O-N 3.44Å; S432-C436 PolarHBondContact O-SG 2.91Å; L433-C436 PolarHBondContact O-N 3.32Å; C436-L438 PolarHBondContact O-N 3.41Å; C436-V439 PolarHBondContact O-N 3.47Å; C436-L440 VanDerWaalsContact O-CB 3.23Å; C436-L440 WeakPolarHBondContact O-CB 3.39Å; C436-L440 WeakPolarHBondContact O-CD1 3.38Å; C436-L440 WeakPolarHBondContact O-CG 3.43Å; C436-L440 PolarHBondContact O-N 3.19Å; C436-L448 HydrophobicContact CB-CD1 3.83Å; C436-L448 WeakPolarHBondContact SG-CD1 3.32Å; C436-L463 HydrophobicContact CB-CD1 3.33Å; C436-L463 WeakPolarHBondContact SG-CD1 3.24Å
437H82.4Confident81Confident93 Ų9360.1 Ų60.143%0.43130%0.296SS..Hα-helixtrans-58.4-47.3173.8-172.5-81.3000111.9L433 E434 V439 Q441 L466L433-H437 WeakPolarHBondContact O-CB 3.42Å; L433-H437 PolarHBondContact O-N 3.44Å; E434-H437 PolarHBondContact O-N 3.04Å; H437-V439 PolarHBondContact O-N 3.33Å; H437-Q441 WeakPolarHBondContact O-CB 3Å; H437-Q441 PolarHBondContact O-N 3.41Å; H437-L466 HydrophobicContact CB-CD2 3.88Å
438L78.4Confident80.8Confident44 Ų4460.1 Ų60.123%0.2330%0.296CS..Hα-helixtrans-63.7-41.5177-69.3169.4000112.8L414 F418 E434 L435 C436 Q442L414-L438 HydrophobicContact CD2-CD1 3.69Å; L414-L438 HydrophobicContact CG-CD1 4.27Å; F418-L438 HydrophobicContact CE2-CD1 4.34Å; E434-L438 WeakPolarHBondContact O-CG 3.23Å; E434-L438 PolarHBondContact O-N 3.49Å; E434-L438 VanDerWaalsContact O-N 3.13Å; L435-L438 PolarHBondContact O-N 3.47Å; C436-L438 PolarHBondContact O-N 3.41Å; L438-Q442 WeakPolarHBondContact O-CG 3.44Å; L438-Q442 PolarHBondContact O-N 2.9Å
439V81.1Confident80.7Confident6 Ų661.6 Ų61.64%0.03630%0.302CS..Hα-helixtrans-73.4-37.1-177.11710000111.8L435 C436 H437 Q442 G443 R444 L447 L448 W451L435-V439 HydrophobicContact CD1-CG2 4.16Å; L435-V439 HydrophobicContact CG-CG2 4.49Å; L435-V439 WeakPolarHBondContact O-CB 3.34Å; L435-V439 VanDerWaalsContact O-CG2 3.26Å; L435-V439 WeakPolarHBondContact O-CG2 3.24Å; L435-V439 PolarHBondContact O-N 2.99Å; C436-V439 PolarHBondContact O-N 3.47Å; H437-V439 PolarHBondContact O-N 3.33Å; V439-Q442 PolarHBondContact O-N 3.49Å; V439-G443 PolarHBondContact O-N 3.02Å; V439-R444 HydrophobicContact CG1-CB 4.05Å; V439-R444 WeakPolarHBondContact CG1-O 3.09Å; V439-R444 PolarHBondContact O-N 3.49Å; V439-R444 VanDerWaalsContact O-N 3.1Å; V439-L447 HydrophobicContact CG1-CB 4.35Å; V439-L448 HydrophobicContact CG1-CD1 4.49Å; V439-W451 HydrophobicContact CG1-CZ3 4.4Å; V439-W451 HydrophobicContact CG2-CH2 3.91Å; V439-W451 HydrophobicContact CG2-CZ3 3.89Å
440L78.8Confident80.8Confident25 Ų2562 Ų6213%0.13130%0.303CS..Hα-helixtrans-69.3-39.6175.4-70.8169.6000111.4C436 Q442 G443 L466 V467 T470C436-L440 VanDerWaalsContact O-CB 3.23Å; C436-L440 WeakPolarHBondContact O-CB 3.39Å; C436-L440 WeakPolarHBondContact O-CD1 3.38Å; C436-L440 WeakPolarHBondContact O-CG 3.43Å; C436-L440 PolarHBondContact O-N 3.19Å; L440-Q442 PolarHBondContact O-N 3.32Å; L440-G443 PolarHBondContact O-N 3.3Å; L440-L466 HydrophobicContact CD1-CD2 4.03Å; L440-L466 HydrophobicContact CD1-CG 3.76Å; L440-V467 HydrophobicContact CD1-CG2 4.11Å; L440-T470 HydrophobicContact CD2-CG2 4.35Å
441Q77.3Confident81Confident155 Ų15559.8 Ų59.872%0.72429%0.29SS*.Hα-helixtrans-60.7-30.7173.2-168.6179.615.800112.4H437 G443H437-Q441 WeakPolarHBondContact O-CB 3Å; H437-Q441 PolarHBondContact O-N 3.41Å; Q441-G443 VanDerWaalsContact C-N 3.33Å
442Q75.8Confident80.9Confident105 Ų10560 Ų6049%0.49129%0.291SS..THydrogen-bonded Turntrans-85.2-0.5175.1-67.2177.31800113.8L438 V439 L440 R444L438-Q442 WeakPolarHBondContact O-CG 3.44Å; L438-Q442 PolarHBondContact O-N 2.9Å; V439-Q442 PolarHBondContact O-N 3.49Å; L440-Q442 PolarHBondContact O-N 3.32Å; Q442-R444 VanDerWaalsContact C-N 3.26Å; Q442-R444 HydrophobicContact CB-CG 4.31Å; Q442-R444 PolarHBondContact O-N 3.12Å
443G74.3Confident80.8Confident62 Ų6267.9 Ų67.964%0.63933%0.325SS*.THydrogen-bonded Turntrans69.613.9-18000000115.3V439 L440 Q441 K445V439-G443 PolarHBondContact O-N 3.02Å; L440-G443 PolarHBondContact O-N 3.3Å; Q441-G443 VanDerWaalsContact C-N 3.33Å; G443-K445 PolarHBondContact O-N 3.48Å; G443-K445 VanDerWaalsContact O-N 3.17Å
444R78Confident80.8Confident149 Ų14970.8 Ų70.856%0.56234%0.338SS*.  trans-91.656.9-172.7-66.7-177.2-179.1-174.41113.2V439 Q442 Q446 L447V439-R444 HydrophobicContact CG1-CB 4.05Å; V439-R444 WeakPolarHBondContact CG1-O 3.09Å; V439-R444 PolarHBondContact O-N 3.49Å; V439-R444 VanDerWaalsContact O-N 3.1Å; Q442-R444 VanDerWaalsContact C-N 3.26Å; Q442-R444 HydrophobicContact CB-CG 4.31Å; Q442-R444 PolarHBondContact O-N 3.12Å; R444-Q446 VanDerWaalsContact C-N 3.26Å; R444-Q446 PolarHBondContact O-N 3.02Å; R444-Q446 VanDerWaalsContact O-N 3.16Å; R444-L447 HydrophobicContact CB-CD1 4.16Å; R444-L447 PolarHBondContact O-N 3.04Å
445K76.8Confident80.9Confident92 Ų9272.7 Ų72.740%0.435%0.35SS..Hα-helixtrans-59.2-27.9-175.466.1174-174.7170.50115.7G443 L447 L448 E449G443-K445 PolarHBondContact O-N 3.48Å; G443-K445 VanDerWaalsContact O-N 3.17Å; K445-L447 PolarHBondContact O-N 3.31Å; K445-L448 VanDerWaalsContact O-CB 3.27Å; K445-L448 WeakPolarHBondContact O-CB 3.46Å; K445-L448 PolarHBondContact O-N 3.49Å; K445-L448 VanDerWaalsContact O-N 3.08Å; K445-E449 PolarHBondContact O-N 3.04Å
446Q81.1Confident80.8Confident155 Ų15575.2 Ų75.272%0.72436%0.361SS*.Hα-helixtrans-61.3-30.4180-66.3173.7-3.500113.2R444 K450R444-Q446 VanDerWaalsContact C-N 3.26Å; R444-Q446 PolarHBondContact O-N 3.02Å; R444-Q446 VanDerWaalsContact O-N 3.16Å; Q446-K450 PolarHBondContact O-N 3.47Å
447L80.7Confident81Confident66 Ų6675.4 Ų75.435%0.34636%0.362SS..Hα-helixtrans-69.3-37.5176.4-68.8174000111.4V439 R444 K445 K450 W451V439-L447 HydrophobicContact CG1-CB 4.35Å; R444-L447 HydrophobicContact CB-CD1 4.16Å; R444-L447 PolarHBondContact O-N 3.04Å; K445-L447 PolarHBondContact O-N 3.31Å; L447-K450 PolarHBondContact O-N 3.48Å; L447-W451 HydrophobicContact CB-CE3 4.42Å; L447-W451 HydrophobicContact CB-CH2 3.98Å; L447-W451 HydrophobicContact CB-CZ2 4.14Å; L447-W451 HydrophobicContact CB-CZ3 4.13Å; L447-W451 HydrophobicContact CD1-CH2 4.42Å; L447-W451 VanDerWaalsContact O-CD2 3.24Å; L447-W451 VanDerWaalsContact O-CG 3.3Å; L447-W451 PolarHBondContact O-N 3.47Å
448L80.8Confident81.1Confident1 Ų174.3 Ų74.31%0.00536%0.357CS..Hα-helixtrans-62.2-46176.1-138.782.8000111.3C436 V439 K445 K450 W451 L452 V467 L474C436-L448 HydrophobicContact CB-CD1 3.83Å; C436-L448 WeakPolarHBondContact SG-CD1 3.32Å; V439-L448 HydrophobicContact CG1-CD1 4.49Å; K445-L448 VanDerWaalsContact O-CB 3.27Å; K445-L448 WeakPolarHBondContact O-CB 3.46Å; K445-L448 PolarHBondContact O-N 3.49Å; K445-L448 VanDerWaalsContact O-N 3.08Å; L448-K450 VanDerWaalsContact C-N 3.29Å; L448-K450 PolarHBondContact O-N 3.08Å; L448-W451 HydrophobicContact CD1-CE3 4.45Å; L448-W451 PolarHBondContact O-N 2.83Å; L448-L452 HydrophobicContact CD2-CD1 4.4Å; L448-L452 HydrophobicContact CG-CD1 4.44Å; L448-L452 WeakPolarHBondContact O-CB 3.19Å; L448-L452 VanDerWaalsContact O-CG 3.31Å; L448-L452 WeakPolarHBondContact O-CG 3.41Å; L448-L452 PolarHBondContact O-N 3.48Å; L448-V467 HydrophobicContact CD2-CG1 4.35Å; L448-V467 HydrophobicContact CD2-CG2 3.56Å; L448-L474 HydrophobicContact CB-CD2 4.29Å; L448-L474 HydrophobicContact CD2-CD2 3.8Å
449E81.6Confident81.4Confident68 Ų6872.8 Ų72.832%0.31835%0.35SS..Hα-helixtrans-59.3-41.2177-70.9175.6-161.800111.8K445 K453 L474K445-E449 PolarHBondContact O-N 3.04Å; E449-K453 WeakPolarHBondContact O-CB 3.19Å; E449-K453 WeakPolarHBondContact O-CG 3.29Å; E449-K453 PolarHBondContact O-N 3.46Å; E449-K453 VanDerWaalsContact O-N 3.07Å; E449-L474 HydrophobicContact CG-CD1 3.83Å; E449-L474 HydrophobicContact CG-CD2 4.24Å
450K85.8Confident81.6Confident115 Ų11573 Ų7350%0.535%0.352SS..Hα-helixtrans-63.6-49.2176.4-175.5179174.8-179.40111.2Q446 L447 L448 L452 K453 E454Q446-K450 PolarHBondContact O-N 3.47Å; L447-K450 PolarHBondContact O-N 3.48Å; L448-K450 VanDerWaalsContact C-N 3.29Å; L448-K450 PolarHBondContact O-N 3.08Å; K450-L452 VanDerWaalsContact C-N 3.35Å; K450-L452 PolarHBondContact O-N 3.43Å; K450-K453 PolarHBondContact O-N 3.02Å; K450-E454 WeakPolarHBondContact CE-OE1 3.42Å; K450-E454 IonicContact NZ-OE1 2.63Å; K450-E454 WeakPolarHBondContact O-CG 3.44Å; K450-E454 PolarHBondContact O-N 3.21Å
451W85.1Confident82Confident32 Ų3276 Ų7612%0.12137%0.365CS..Hα-helixtrans-67.7-32.9-178.8-61.8-35.9000113.5L422 L435 V439 L447 L448 E454 D455 K456 L457L422-W451 HydrophobicContact CD1-CD2 4.47Å; L422-W451 HydrophobicContact CD1-CZ2 3.84Å; L435-W451 HydrophobicContact CD1-CH2 4.11Å; L435-W451 HydrophobicContact CD1-CZ3 4.29Å; L435-W451 HydrophobicContact CD2-CE3 4.06Å; L435-W451 HydrophobicContact CD2-CH2 3.97Å; L435-W451 HydrophobicContact CD2-CZ3 3.68Å; L435-W451 HydrophobicContact CG-CH2 4.2Å; L435-W451 HydrophobicContact CG-CZ3 3.9Å; V439-W451 HydrophobicContact CG1-CZ3 4.4Å; V439-W451 HydrophobicContact CG2-CH2 3.91Å; V439-W451 HydrophobicContact CG2-CZ3 3.89Å; L447-W451 HydrophobicContact CB-CE3 4.42Å; L447-W451 HydrophobicContact CB-CH2 3.98Å; L447-W451 HydrophobicContact CB-CZ2 4.14Å; L447-W451 HydrophobicContact CB-CZ3 4.13Å; L447-W451 HydrophobicContact CD1-CH2 4.42Å; L447-W451 VanDerWaalsContact O-CD2 3.24Å; L447-W451 VanDerWaalsContact O-CG 3.3Å; L447-W451 PolarHBondContact O-N 3.47Å; L448-W451 HydrophobicContact CD1-CE3 4.45Å; L448-W451 PolarHBondContact O-N 2.83Å; W451-E454 PolarHBondContact O-N 3.08Å; W451-D455 PolarHBondContact O-N 3.34Å; W451-K456 HydrophobicContact CB-CB 4.36Å; W451-K456 PolarHBondContact O-N 3.19Å; W451-L457 HydrophobicContact CB-CD1 3.89Å; W451-L457 HydrophobicContact CB-CD2 4.35Å; W451-L457 HydrophobicContact CB-CG 3.89Å; W451-L457 HydrophobicContact CE3-CD1 4.49Å
452L83.6Confident82.4Confident5 Ų574.5 Ų74.53%0.02636%0.358CS..Hα-helixtrans-70-31.1173-74166.9000112.6L448 K450 L457 L474 V478 R481L448-L452 HydrophobicContact CD2-CD1 4.4Å; L448-L452 HydrophobicContact CG-CD1 4.44Å; L448-L452 WeakPolarHBondContact O-CB 3.19Å; L448-L452 VanDerWaalsContact O-CG 3.31Å; L448-L452 WeakPolarHBondContact O-CG 3.41Å; L448-L452 PolarHBondContact O-N 3.48Å; K450-L452 VanDerWaalsContact C-N 3.35Å; K450-L452 PolarHBondContact O-N 3.43Å; L452-L457 HydrophobicContact CD2-CD1 4.29Å; L452-L457 HydrophobicContact CG-CD1 4.26Å; L452-L474 HydrophobicContact CD1-CD1 3.78Å; L452-L474 HydrophobicContact CD1-CG 4.16Å; L452-V478 HydrophobicContact CD1-CG2 3.73Å; L452-V478 HydrophobicContact CD2-CG2 3.98Å; L452-R481 VanDerWaalsContact O-CZ 3.29Å; L452-R481 PolarHBondContact O-NE 3.17Å; L452-R481 PolarHBondContact O-NH2 2.61Å
453K83.9Confident82.8Confident165 Ų16569.6 Ų69.672%0.71734%0.335SS*.Hα-helixtrans-74.7-32.6173-77.5176.5-178.7174.40112.8E449 K450 D455E449-K453 WeakPolarHBondContact O-CB 3.19Å; E449-K453 WeakPolarHBondContact O-CG 3.29Å; E449-K453 PolarHBondContact O-N 3.46Å; E449-K453 VanDerWaalsContact O-N 3.07Å; K450-K453 PolarHBondContact O-N 3.02Å; K453-D455 VanDerWaalsContact C-N 3.27Å
454E83.8Confident83.2Confident83 Ų8366.6 Ų66.639%0.38831%0.305SS..THydrogen-bonded Turntrans-85.25.8177.4-67.5176.4-174.700113.2K450 W451 K456K450-E454 WeakPolarHBondContact CE-OE1 3.42Å; K450-E454 IonicContact NZ-OE1 2.63Å; K450-E454 WeakPolarHBondContact O-CG 3.44Å; K450-E454 PolarHBondContact O-N 3.21Å; W451-E454 PolarHBondContact O-N 3.08Å; E454-K456 HydrophobicContact CB-CD 4.05Å; E454-K456 HydrophobicContact CB-CG 3.89Å; E454-K456 PolarHBondContact O-N 2.96Å; E454-K456 VanDerWaalsContact O-N 3.13Å; E454-K456 WeakPolarHBondContact OE2-CD 3.47Å; E454-K456 WeakPolarHBondContact OE2-CE 3.34Å; E454-K456 IonicContact OE2-NZ 3.36Å; E454-K456 PolarHBondContact OE2-NZ 3.19Å
455D83.3Confident83.6Confident101 Ų10162.5 Ų62.554%0.5429%0.294SS..THydrogen-bonded Turntrans50.632.7-176.4-66.5-36.5000114.4W451 K453 R481W451-D455 PolarHBondContact O-N 3.34Å; K453-D455 VanDerWaalsContact C-N 3.27Å; D455-R481 IonicContact OD1-NE 2.86Å
456K84Confident83.9Confident57 Ų5760.2 Ų60.225%0.24829%0.286CS..  trans-82.9-9.5-177.4-71.7-174.9171170.60114.6L422 Q426 L427 W451 E454L422-K456 HydrophobicContact CD2-CB 3.83Å; L422-K456 HydrophobicContact CD2-CD 4.19Å; Q426-K456 CarbonylContact C-O 3.54Å; Q426-K456 WeakPolarHBondContact CA-O 3.4Å; L427-K456 PolarHBondContact N-O 3.3Å; W451-K456 HydrophobicContact CB-CB 4.36Å; W451-K456 PolarHBondContact O-N 3.19Å; E454-K456 HydrophobicContact CB-CD 4.05Å; E454-K456 HydrophobicContact CB-CG 3.89Å; E454-K456 PolarHBondContact O-N 2.96Å; E454-K456 VanDerWaalsContact O-N 3.13Å; E454-K456 WeakPolarHBondContact OE2-CD 3.47Å; E454-K456 WeakPolarHBondContact OE2-CE 3.34Å; E454-K456 IonicContact OE2-NZ 3.36Å; E454-K456 PolarHBondContact OE2-NZ 3.19Å
457L85.4Confident84Confident5 Ų552.9 Ų52.93%0.02625%0.252CS..BIsolated β-bridgetrans-115.4130.4-177.5-55177.9000110.1L422 Q426 L427 L435 W451 L452 C459L422-L457 HydrophobicContact CD2-CD2 4.39Å; Q426-L457 PolarHBondContact NE2-O 3.12Å; L427-L457 HydrophobicContact CB-CD2 4.31Å; L427-L457 HydrophobicContact CD1-CD2 3.72Å; L427-L457 HydrophobicContact CG-CD2 4.26Å; L435-L457 HydrophobicContact CD2-CD2 4.25Å; W451-L457 HydrophobicContact CB-CD1 3.89Å; W451-L457 HydrophobicContact CB-CD2 4.35Å; W451-L457 HydrophobicContact CB-CG 3.89Å; W451-L457 HydrophobicContact CE3-CD1 4.49Å; L452-L457 HydrophobicContact CD2-CD1 4.29Å; L452-L457 HydrophobicContact CG-CD1 4.26Å; L457-C459 PolarHBondContact O-N 3.18Å
458E84.2Confident84.2Confident70 Ų7052.2 Ų52.233%0.32725%0.246SC..  trans-75.9116.7162.4-170.4-176.3-178.700108.7L427 N428 K429 S432L427-E458 WeakPolarHBondContact O-CB 3.33Å; L427-E458 PolarHBondContact O-N 3.15Å; N428-E458 WeakPolarHBondContact CA-OE2 3.29Å; K429-E458 WeakPolarHBondContact CE-OE1 3.49Å; K429-E458 VanDerWaalsContact CG-CD 3.42Å; K429-E458 HydrophobicContact CG-CG 3.87Å; K429-E458 PolarHBondContact N-OE2 3.46Å; S432-E458 WeakPolarHBondContact CB-O 3.37Å; S432-E458 PolarHBondContact OG-N 2.96Å; S432-E458 PolarHBondContact OG-O 2.88Å; S432-E458 VanDerWaalsContact OG-O 3.09Å
459C84.3Confident84.1Confident11 Ų1157.9 Ų57.97%0.07428%0.28CS..  trans-82138.2-176.7-63.10000110.7L457 V478 R481 A482L457-C459 PolarHBondContact O-N 3.18Å; C459-V478 HydrophobicContact CB-CG1 3.93Å; C459-V478 WeakPolarHBondContact CB-O 3.38Å; C459-R481 HydrophobicContact CB-CB 3.87Å; C459-A482 HydrophobicContact CB-CB 3.86Å; C459-A482 WeakPolarHBondContact O-CB 3.31Å
460S86.2Confident84Confident11 Ų1158.3 Ų58.38%0.07729%0.288CS..  trans-130.7167.9177.2700000111.4L463 G464S460-L463 PolarHBondContact O-N 2.76Å; S460-L463 WeakPolarHBondContact OG-CB 3.46Å; S460-L463 PolarHBondContact OG-N 2.79Å; S460-G464 PolarHBondContact O-N 3.25Å; S460-G464 VanDerWaalsContact O-N 3.11Å
461E86.7Confident83.8Confident89 Ų8954.6 Ų54.642%0.41627%0.273SS..Hα-helixtrans-57.6-52.1173.8-171.7179152.700111.7L463 G464 D465 Y479 V484 K487E461-L463 PolarHBondContact O-N 3.19Å; E461-G464 PolarHBondContact O-N 3.35Å; E461-G464 VanDerWaalsContact O-N 3.08Å; E461-D465 PolarHBondContact O-N 3.12Å; E461-Y479 WeakPolarHBondContact O-CE1 3.31Å; E461-V484 HydrophobicContact CB-CG2 4Å; E461-V484 HydrophobicContact CG-CG1 4.18Å; E461-V484 HydrophobicContact CG-CG2 4.48Å; E461-K487 HydrophobicContact CG-CD 3.7Å; E461-K487 WeakPolarHBondContact OE1-CE 3.11Å; E461-K487 IonicContact OE1-NZ 3.93Å; E461-K487 PolarHBondContact OE1-NZ 3.31Å
462E84.6Confident83.6Confident123 Ų12355.9 Ų55.958%0.57529%0.286SS*.Hα-helixtrans-59.1-34.8179.6-63.7173.4-176.200111.7L433 D465 L466L433-E462 HydrophobicContact CD1-CB 3.98Å; L433-E462 WeakPolarHBondContact CD1-OE2 3.47Å; L433-E462 HydrophobicContact CD2-CB 3.71Å; L433-E462 HydrophobicContact CG-CB 4.46Å; E462-D465 PolarHBondContact O-N 3.3Å; E462-L466 WeakPolarHBondContact O-CB 3.36Å; E462-L466 PolarHBondContact O-N 2.98Å
463L84.1Confident83.4Confident1 Ų160.6 Ų60.61%0.00531%0.309CS..Hα-helixtrans-69.8-41.3178.8179.165.5000110.4L433 C436 S460 E461 D465 L466 V467 V478L433-L463 VanDerWaalsContact CD2-CA 3.49Å; L433-L463 HydrophobicContact CD2-CB 3.83Å; L433-L463 HydrophobicContact CD2-CD1 4.33Å; L433-L463 VanDerWaalsContact CD2-N 3.35Å; L433-L463 HydrophobicContact CG-CB 4.33Å; C436-L463 HydrophobicContact CB-CD1 3.33Å; C436-L463 WeakPolarHBondContact SG-CD1 3.24Å; S460-L463 PolarHBondContact O-N 2.76Å; S460-L463 WeakPolarHBondContact OG-CB 3.46Å; S460-L463 PolarHBondContact OG-N 2.79Å; E461-L463 PolarHBondContact O-N 3.19Å; L463-D465 VanDerWaalsContact C-N 3.31Å; L463-D465 PolarHBondContact O-N 3.05Å; L463-L466 PolarHBondContact O-N 3.26Å; L463-V467 HydrophobicContact CD1-CG2 4.44Å; L463-V467 VanDerWaalsContact O-CG2 3.26Å; L463-V467 WeakPolarHBondContact O-CG2 3.26Å; L463-V467 PolarHBondContact O-N 2.96Å; L463-V478 HydrophobicContact CB-CG1 4.21Å; L463-V478 HydrophobicContact CD2-CG1 3.9Å; L463-V478 HydrophobicContact CG-CG1 3.91Å
464G84.4Confident83.3Confident0 Ų053.7 Ų53.70%028%0.28CS..Hα-helixtrans-61.8-39.7173.800000112S460 E461 V467 K468 Y479S460-G464 PolarHBondContact O-N 3.25Å; S460-G464 VanDerWaalsContact O-N 3.11Å; E461-G464 PolarHBondContact O-N 3.35Å; E461-G464 VanDerWaalsContact O-N 3.08Å; G464-V467 PolarHBondContact O-N 3.29Å; G464-K468 VanDerWaalsContact O-CB 3.25Å; G464-K468 WeakPolarHBondContact O-CB 3.38Å; G464-K468 PolarHBondContact O-N 3.36Å; G464-Y479 VanDerWaalsContact CA-CE1 3.45Å; G464-Y479 PolarHBondContact O-OH 3.09Å
465D85.1Confident83.3Confident63 Ų6349.7 Ų49.734%0.33726%0.261SS..Hα-helixtrans-63.9-43.9178.1-69.2-45.5000111.3E461 E462 L463 K468 T469 Y479 K487E461-D465 PolarHBondContact O-N 3.12Å; E462-D465 PolarHBondContact O-N 3.3Å; L463-D465 VanDerWaalsContact C-N 3.31Å; L463-D465 PolarHBondContact O-N 3.05Å; D465-K468 WeakPolarHBondContact O-CB 3Å; D465-K468 PolarHBondContact O-N 3.4Å; D465-T469 PolarHBondContact O-N 3.46Å; D465-Y479 WeakPolarHBondContact CA-OH 3.11Å; D465-Y479 PolarHBondContact N-OH 3.1Å; D465-Y479 PolarHBondContact OD1-OH 3.27Å; D465-K487 IonicContact OD1-NZ 2.71Å; D465-K487 PolarHBondContact OD1-NZ 2.88Å; D465-K487 IonicContact OD2-NZ 2.72Å; D465-K487 PolarHBondContact OD2-NZ 3.05Å
466L83.6Confident83.3Confident44 Ų4445.7 Ų45.723%0.2324%0.24CC..Hα-helixtrans-61.6-46.7178.3-174.466.9000111.1H437 L440 E462 L463 K468 T469H437-L466 HydrophobicContact CB-CD2 3.88Å; L440-L466 HydrophobicContact CD1-CD2 4.03Å; L440-L466 HydrophobicContact CD1-CG 3.76Å; E462-L466 WeakPolarHBondContact O-CB 3.36Å; E462-L466 PolarHBondContact O-N 2.98Å; L463-L466 PolarHBondContact O-N 3.26Å; L466-K468 VanDerWaalsContact C-N 3.32Å; L466-K468 PolarHBondContact O-N 3.08Å; L466-T469 PolarHBondContact O-N 3.11Å; L466-T469 PolarHBondContact O-OG1 3Å
467V83.9Confident83.3Confident1 Ų144.7 Ų44.71%0.00624%0.24CC..Hα-helixtrans-67-34.2177.8176.90000111.5L440 L448 L463 G464 T469 T470 D471 L474 A475 V478L440-V467 HydrophobicContact CD1-CG2 4.11Å; L448-V467 HydrophobicContact CD2-CG1 4.35Å; L448-V467 HydrophobicContact CD2-CG2 3.56Å; L463-V467 HydrophobicContact CD1-CG2 4.44Å; L463-V467 VanDerWaalsContact O-CG2 3.26Å; L463-V467 WeakPolarHBondContact O-CG2 3.26Å; L463-V467 PolarHBondContact O-N 2.96Å; G464-V467 PolarHBondContact O-N 3.29Å; V467-T469 PolarHBondContact O-N 3.42Å; V467-T470 PolarHBondContact O-N 2.95Å; V467-D471 PolarHBondContact O-N 2.87Å; V467-L474 HydrophobicContact CG1-CB 3.84Å; V467-L474 HydrophobicContact CG1-CD2 3.95Å; V467-L474 HydrophobicContact CG1-CG 3.88Å; V467-A475 HydrophobicContact CB-CB 4.28Å; V467-A475 HydrophobicContact CG1-CB 4.1Å; V467-V478 HydrophobicContact CG2-CG2 4.5Å
468K83Confident83.3Confident52 Ų5244.4 Ų44.423%0.22624%0.239CC..Hα-helixtrans-59.6-32.1-179.5-175.5178.5176.9174.10112.8G464 D465 L466 T470 A475 E494G464-K468 VanDerWaalsContact O-CB 3.25Å; G464-K468 WeakPolarHBondContact O-CB 3.38Å; G464-K468 PolarHBondContact O-N 3.36Å; D465-K468 WeakPolarHBondContact O-CB 3Å; D465-K468 PolarHBondContact O-N 3.4Å; L466-K468 VanDerWaalsContact C-N 3.32Å; L466-K468 PolarHBondContact O-N 3.08Å; K468-T470 PolarHBondContact O-N 2.96Å; K468-A475 HydrophobicContact CB-CB 3.76Å; K468-A475 HydrophobicContact CG-CB 4.45Å; K468-E494 WeakPolarHBondContact CE-OE2 3.26Å; K468-E494 IonicContact NZ-OE1 3.51Å; K468-E494 PolarHBondContact NZ-OE1 3.5Å; K468-E494 IonicContact NZ-OE2 3.1Å; K468-E494 PolarHBondContact NZ-OE2 2.86Å
469T80.6Confident83.4Confident119 Ų11941.1 Ų41.173%0.7322%0.223SC*.THydrogen-bonded Turntrans-61.3-23.817566.30000113.4D465 L466 V467D465-T469 PolarHBondContact O-N 3.46Å; L466-T469 PolarHBondContact O-N 3.11Å; L466-T469 PolarHBondContact O-OG1 3Å; V467-T469 PolarHBondContact O-N 3.42Å
470T78.8Confident83.4Confident78 Ų7844.8 Ų44.848%0.47924%0.241SC..THydrogen-bonded Turntrans-108.2-48-174.9-45.50000111.8L440 V467 K468L440-T470 HydrophobicContact CD2-CG2 4.35Å; V467-T470 PolarHBondContact O-N 2.95Å; K468-T470 PolarHBondContact O-N 2.96Å
471D81.3Confident83.2Confident36 Ų3649.5 Ų49.519%0.19326%0.257CS..  trans-146.6109.1-178.5-168-32.5000111.4V467 M473 L474 A475V467-D471 PolarHBondContact O-N 2.87Å; D471-M473 VanDerWaalsContact C-N 3.31Å; D471-M473 PolarHBondContact O-N 3.35Å; D471-M473 WeakPolarHBondContact OD1-CB 3.46Å; D471-M473 PolarHBondContact OD1-N 2.82Å; D471-L474 HydrophobicContact CB-CB 3.95Å; D471-L474 PolarHBondContact O-N 3.46Å; D471-L474 PolarHBondContact OD1-N 3.31Å; D471-A475 WeakPolarHBondContact O-CB 3.34Å; D471-A475 PolarHBondContact O-N 3.14Å
472P81Confident83Confident60 Ų6046.2 Ų46.239%0.3925%0.246SC..Hα-helixtrans-68.7-25.9-179.525.8-32000113.6L476P472-L476 PolarHBondContact O-N 3Å; P472-L476 VanDerWaalsContact O-N 3.12Å
473M79.6Confident83Confident104 Ų10445.4 Ų45.451%0.51225%0.246SC..Hα-helixtrans-75.9-38.3177.4-78.5-67.9-68.600111.5D471 L476 S477 T495D471-M473 VanDerWaalsContact C-N 3.31Å; D471-M473 PolarHBondContact O-N 3.35Å; D471-M473 WeakPolarHBondContact OD1-CB 3.46Å; D471-M473 PolarHBondContact OD1-N 2.82Å; M473-L476 WeakPolarHBondContact O-CB 3.44Å; M473-L476 PolarHBondContact O-N 2.86Å; M473-S477 PolarHBondContact O-N 3.03Å; M473-T495 HydrophobicContact SD-CG2 4.08Å
474L82.1Confident83Confident19 Ų1946.3 Ų46.310%0.09925%0.251CS..Hα-helixtrans-67.8-40173.6-167.862.2000110.8L448 E449 L452 V467 D471 L476 S477 V478L448-L474 HydrophobicContact CB-CD2 4.29Å; L448-L474 HydrophobicContact CD2-CD2 3.8Å; E449-L474 HydrophobicContact CG-CD1 3.83Å; E449-L474 HydrophobicContact CG-CD2 4.24Å; L452-L474 HydrophobicContact CD1-CD1 3.78Å; L452-L474 HydrophobicContact CD1-CG 4.16Å; V467-L474 HydrophobicContact CG1-CB 3.84Å; V467-L474 HydrophobicContact CG1-CD2 3.95Å; V467-L474 HydrophobicContact CG1-CG 3.88Å; D471-L474 HydrophobicContact CB-CB 3.95Å; D471-L474 PolarHBondContact O-N 3.46Å; D471-L474 PolarHBondContact OD1-N 3.31Å; L474-L476 VanDerWaalsContact C-N 3.32Å; L474-L476 PolarHBondContact O-N 3.43Å; L474-S477 WeakPolarHBondContact O-CB 3.22Å; L474-S477 PolarHBondContact O-N 3.3Å; L474-S477 PolarHBondContact O-OG 3.35Å; L474-V478 PolarHBondContact O-N 2.72Å
475A84.1Confident82.8Confident0 Ų047.4 Ų47.40%026%0.258CS..Hα-helixtrans-59.4-40.5175.900000112.5V467 K468 D471 S477 V478 Y479V467-A475 HydrophobicContact CB-CB 4.28Å; V467-A475 HydrophobicContact CG1-CB 4.1Å; K468-A475 HydrophobicContact CB-CB 3.76Å; K468-A475 HydrophobicContact CG-CB 4.45Å; D471-A475 WeakPolarHBondContact O-CB 3.34Å; D471-A475 PolarHBondContact O-N 3.14Å; A475-S477 VanDerWaalsContact C-N 3.26Å; A475-S477 PolarHBondContact O-N 3.22Å; A475-V478 WeakPolarHBondContact O-CB 3.2Å; A475-V478 PolarHBondContact O-N 2.94Å; A475-Y479 HydrophobicContact CB-CD2 4.34Å; A475-Y479 HydrophobicContact CB-CE2 3.99Å; A475-Y479 WeakPolarHBondContact O-CD2 3.36Å; A475-Y479 PolarHBondContact O-N 3.4Å
476L83.3Confident82.7Confident17 Ų1747 Ų479%0.08926%0.26CS..Hα-helixtrans-55-43.1173.3178.769.4000111.7P472 M473 L474 V478 Y479 L480 V488 C491 F492P472-L476 PolarHBondContact O-N 3Å; P472-L476 VanDerWaalsContact O-N 3.12Å; M473-L476 WeakPolarHBondContact O-CB 3.44Å; M473-L476 PolarHBondContact O-N 2.86Å; L474-L476 VanDerWaalsContact C-N 3.32Å; L474-L476 PolarHBondContact O-N 3.43Å; L476-V478 VanDerWaalsContact C-N 3.29Å; L476-V478 PolarHBondContact O-N 3.16Å; L476-Y479 PolarHBondContact O-N 3.43Å; L476-L480 WeakPolarHBondContact O-CB 3.46Å; L476-L480 PolarHBondContact O-N 3.27Å; L476-V488 HydrophobicContact CD1-CG1 4.14Å; L476-C491 HydrophobicContact CB-CB 4.33Å; L476-C491 HydrophobicContact CD1-CB 3.79Å; L476-F492 HydrophobicContact CD1-CD1 3.89Å; L476-F492 HydrophobicContact CD1-CD2 4.29Å; L476-F492 HydrophobicContact CD1-CE1 3.8Å; L476-F492 HydrophobicContact CD1-CE2 4.2Å; L476-F492 HydrophobicContact CD1-CG 4.13Å; L476-F492 HydrophobicContact CD1-CZ 3.95Å; L476-F492 HydrophobicContact CD2-CD1 3.95Å; L476-F492 HydrophobicContact CD2-CE1 3.58Å; L476-F492 HydrophobicContact CD2-CZ 4.3Å; L476-F492 HydrophobicContact CG-CE1 4.22Å
477S83.2Confident82.6Confident35 Ų3546.2 Ų46.225%0.24526%0.255CS..Hα-helixtrans-67.5-29.9178.584.20000113.3M473 L474 A475 R481M473-S477 PolarHBondContact O-N 3.03Å; L474-S477 WeakPolarHBondContact O-CB 3.22Å; L474-S477 PolarHBondContact O-N 3.3Å; L474-S477 PolarHBondContact O-OG 3.35Å; A475-S477 VanDerWaalsContact C-N 3.26Å; A475-S477 PolarHBondContact O-N 3.22Å; S477-R481 WeakPolarHBondContact O-CG 3.25Å; S477-R481 PolarHBondContact O-N 2.89Å; S477-R481 PolarHBondContact O-NH1 3.3Å; S477-R481 VanDerWaalsContact O-NH1 3.16Å
478V85.6Confident82.5Confident0 Ų046.1 Ų46.10%025%0.254CS..Hα-helixtrans-73.6-48.6174.9176.40000109.9L452 C459 L463 V467 L474 A475 L476 L480 R481 A482L452-V478 HydrophobicContact CD1-CG2 3.73Å; L452-V478 HydrophobicContact CD2-CG2 3.98Å; C459-V478 HydrophobicContact CB-CG1 3.93Å; C459-V478 WeakPolarHBondContact CB-O 3.38Å; L463-V478 HydrophobicContact CB-CG1 4.21Å; L463-V478 HydrophobicContact CD2-CG1 3.9Å; L463-V478 HydrophobicContact CG-CG1 3.91Å; V467-V478 HydrophobicContact CG2-CG2 4.5Å; L474-V478 PolarHBondContact O-N 2.72Å; A475-V478 WeakPolarHBondContact O-CB 3.2Å; A475-V478 PolarHBondContact O-N 2.94Å; L476-V478 VanDerWaalsContact C-N 3.29Å; L476-V478 PolarHBondContact O-N 3.16Å; V478-L480 VanDerWaalsContact C-N 3.29Å; V478-L480 PolarHBondContact O-N 3.06Å; V478-R481 PolarHBondContact O-N 2.94Å; V478-A482 VanDerWaalsContact O-CB 3.31Å; V478-A482 WeakPolarHBondContact O-CB 3.48Å; V478-A482 PolarHBondContact O-N 3.11Å
479Y86.9Confident82.5Confident1 Ų143.8 Ų43.80%0.00424%0.244CC..Hα-helixtrans-61.4-37.1178.9-68.8-54.7000113.1E461 G464 D465 A475 L476 A482 N483 V484 K487 V488 C491E461-Y479 WeakPolarHBondContact O-CE1 3.31Å; G464-Y479 VanDerWaalsContact CA-CE1 3.45Å; G464-Y479 PolarHBondContact O-OH 3.09Å; D465-Y479 WeakPolarHBondContact CA-OH 3.11Å; D465-Y479 PolarHBondContact N-OH 3.1Å; D465-Y479 PolarHBondContact OD1-OH 3.27Å; A475-Y479 HydrophobicContact CB-CD2 4.34Å; A475-Y479 HydrophobicContact CB-CE2 3.99Å; A475-Y479 WeakPolarHBondContact O-CD2 3.36Å; A475-Y479 PolarHBondContact O-N 3.4Å; L476-Y479 PolarHBondContact O-N 3.43Å; Y479-A482 PolarHBondContact O-N 3.24Å; Y479-N483 PolarHBondContact O-N 2.93Å; Y479-N483 VanDerWaalsContact O-N 3.14Å; Y479-V484 PolarHBondContact O-N 3.11Å; Y479-K487 HydrophobicContact CD1-CB 3.73Å; Y479-K487 HydrophobicContact CD1-CD 4.21Å; Y479-K487 HydrophobicContact CD2-CB 4.24Å; Y479-K487 HydrophobicContact CE1-CB 3.7Å; Y479-K487 HydrophobicContact CE1-CD 3.41Å; Y479-K487 VanDerWaalsContact CE1-CD 3.41Å; Y479-K487 HydrophobicContact CE1-CG 4.18Å; Y479-K487 HydrophobicContact CE2-CB 4.23Å; Y479-K487 HydrophobicContact CG-CB 4Å; Y479-V488 VanDerWaalsContact CB-CG2 3.48Å; Y479-V488 WeakPolarHBondContact O-CG2 3.38Å; Y479-C491 WeakPolarHBondContact CE2-SG 3.24Å
480L83.5Confident82.4Confident87 Ų8742.4 Ų42.446%0.45523%0.23SC..Hα-helixtrans-64.5-43177.9-159.5163000110.8L476 V478 N483 V488 Y504L476-L480 WeakPolarHBondContact O-CB 3.46Å; L476-L480 PolarHBondContact O-N 3.27Å; V478-L480 VanDerWaalsContact C-N 3.29Å; V478-L480 PolarHBondContact O-N 3.06Å; L480-N483 PolarHBondContact O-N 3.16Å; L480-V488 HydrophobicContact CB-CG2 4.45Å; L480-Y504 HydrophobicContact CG-CE2 4.14Å
481R82.3Confident82.5Confident110 Ų11038.8 Ų38.842%0.41521%0.207SC..Hα-helixtrans-71.4-32174-71.1-176.4-178.689.4-6.8113.3L452 D455 C459 S477 V478 N483L452-R481 VanDerWaalsContact O-CZ 3.29Å; L452-R481 PolarHBondContact O-NE 3.17Å; L452-R481 PolarHBondContact O-NH2 2.61Å; D455-R481 IonicContact OD1-NE 2.86Å; C459-R481 HydrophobicContact CB-CB 3.87Å; S477-R481 WeakPolarHBondContact O-CG 3.25Å; S477-R481 PolarHBondContact O-N 2.89Å; S477-R481 PolarHBondContact O-NH1 3.3Å; S477-R481 VanDerWaalsContact O-NH1 3.16Å; V478-R481 PolarHBondContact O-N 2.94Å; R481-N483 PolarHBondContact O-N 3.26Å
482A82.3Confident82.4Confident21 Ų2137.6 Ų37.617%0.17420%0.2CC..Hα-helixtrans-73.4-9.3177.300000113.3C459 V478 Y479 V484C459-A482 HydrophobicContact CB-CB 3.86Å; C459-A482 WeakPolarHBondContact O-CB 3.31Å; V478-A482 VanDerWaalsContact O-CB 3.31Å; V478-A482 WeakPolarHBondContact O-CB 3.48Å; V478-A482 PolarHBondContact O-N 3.11Å; Y479-A482 PolarHBondContact O-N 3.24Å; A482-V484 HydrophobicContact CB-CG2 4Å; A482-V484 PolarHBondContact O-N 3.3Å
483N83.6Confident82.2Confident106 Ų10635.7 Ų35.757%0.56719%0.19SC*.THydrogen-bonded Turntrans52.750.8-176.2-165.734.6000112.8Y479 L480 R481 P485Y479-N483 PolarHBondContact O-N 2.93Å; Y479-N483 VanDerWaalsContact O-N 3.14Å; L480-N483 PolarHBondContact O-N 3.16Å; R481-N483 PolarHBondContact O-N 3.26Å; N483-P485 WeakPolarHBondContact O-CD 2.98Å
484V84.5Confident82.1Confident20 Ų2035.6 Ų35.612%0.12119%0.188CC..  trans-112.289.2176.3-174.10000109.3E461 Y479 A482 S486 K487 V488E461-V484 HydrophobicContact CB-CG2 4Å; E461-V484 HydrophobicContact CG-CG1 4.18Å; E461-V484 HydrophobicContact CG-CG2 4.48Å; Y479-V484 PolarHBondContact O-N 3.11Å; A482-V484 HydrophobicContact CB-CG2 4Å; A482-V484 PolarHBondContact O-N 3.3Å; V484-S486 VanDerWaalsContact C-N 3.35Å; V484-S486 PolarHBondContact O-N 2.61Å; V484-K487 HydrophobicContact CG1-CB 4.22Å; V484-K487 HydrophobicContact CG1-CG 4.16Å; V484-K487 PolarHBondContact O-N 2.73Å; V484-V488 WeakPolarHBondContact O-CG2 3.08Å; V484-V488 PolarHBondContact O-N 3.46Å; V484-V488 VanDerWaalsContact O-N 3.14Å
485P80.7Confident81.6Confident22 Ų2236.7 Ų36.714%0.14320%0.196CC..Hα-helixtrans-64.3-36.4-167.8-26.437000114.1N483 K487 V488 I489 Y504 V508 Y510N483-P485 WeakPolarHBondContact O-CD 2.98Å; P485-K487 PolarHBondContact O-N 2.75Å; P485-V488 PolarHBondContact O-N 2.92Å; P485-I489 WeakPolarHBondContact O-CB 3.27Å; P485-I489 WeakPolarHBondContact O-CD1 2.97Å; P485-I489 WeakPolarHBondContact O-CG1 3.48Å; P485-I489 PolarHBondContact O-N 3.48Å; P485-Y504 HydrophobicContact CB-CE1 4.03Å; P485-V508 HydrophobicContact CB-CG2 4.31Å; P485-V508 HydrophobicContact CG-CG2 4.18Å; P485-Y510 HydrophobicContact CB-CD1 3.43Å; P485-Y510 VanDerWaalsContact CB-CD1 3.43Å; P485-Y510 HydrophobicContact CB-CD2 3.96Å; P485-Y510 HydrophobicContact CB-CE1 3.97Å; P485-Y510 HydrophobicContact CB-CE2 4.44Å; P485-Y510 HydrophobicContact CB-CG 3.42Å; P485-Y510 VanDerWaalsContact CB-CG 3.42Å; P485-Y510 HydrophobicContact CG-CD1 4.44Å; P485-Y510 HydrophobicContact CG-CD2 4.16Å; P485-Y510 HydrophobicContact CG-CG 3.95Å
486S81.9Confident81.1Confident54 Ų5438.3 Ų38.338%0.37821%0.212SC..Hα-helixtrans-56.1-46.417954.60000112.5V484 Q490V484-S486 VanDerWaalsContact C-N 3.35Å; V484-S486 PolarHBondContact O-N 2.61Å; S486-Q490 PolarHBondContact O-N 3.35Å
487K82.2Confident80.9Confident28 Ų2840.1 Ų40.112%0.12222%0.22CC..Hα-helixtrans-80.1-32.7-179.2-65.1-159.8-178.7175.30113.7E461 D465 Y479 V484 P485 I489 Q490 C491E461-K487 HydrophobicContact CG-CD 3.7Å; E461-K487 WeakPolarHBondContact OE1-CE 3.11Å; E461-K487 IonicContact OE1-NZ 3.93Å; E461-K487 PolarHBondContact OE1-NZ 3.31Å; D465-K487 IonicContact OD1-NZ 2.71Å; D465-K487 PolarHBondContact OD1-NZ 2.88Å; D465-K487 IonicContact OD2-NZ 2.72Å; D465-K487 PolarHBondContact OD2-NZ 3.05Å; Y479-K487 HydrophobicContact CD1-CB 3.73Å; Y479-K487 HydrophobicContact CD1-CD 4.21Å; Y479-K487 HydrophobicContact CD2-CB 4.24Å; Y479-K487 HydrophobicContact CE1-CB 3.7Å; Y479-K487 HydrophobicContact CE1-CD 3.41Å; Y479-K487 VanDerWaalsContact CE1-CD 3.41Å; Y479-K487 HydrophobicContact CE1-CG 4.18Å; Y479-K487 HydrophobicContact CE2-CB 4.23Å; Y479-K487 HydrophobicContact CG-CB 4Å; V484-K487 HydrophobicContact CG1-CB 4.22Å; V484-K487 HydrophobicContact CG1-CG 4.16Å; V484-K487 PolarHBondContact O-N 2.73Å; P485-K487 PolarHBondContact O-N 2.75Å; K487-I489 VanDerWaalsContact C-N 3.28Å; K487-I489 PolarHBondContact O-N 2.92Å; K487-Q490 PolarHBondContact O-N 3.43Å; K487-C491 WeakPolarHBondContact O-CB 3.31Å; K487-C491 PolarHBondContact O-N 3.31Å
488V82.7Confident80.4Confident0 Ų039.1 Ų39.10%021%0.212CC..Hα-helixtrans-58.2-46.3170.1173.30000110L476 Y479 L480 V484 P485 C491 F492 Y504L476-V488 HydrophobicContact CD1-CG1 4.14Å; Y479-V488 VanDerWaalsContact CB-CG2 3.48Å; Y479-V488 WeakPolarHBondContact O-CG2 3.38Å; L480-V488 HydrophobicContact CB-CG2 4.45Å; V484-V488 WeakPolarHBondContact O-CG2 3.08Å; V484-V488 PolarHBondContact O-N 3.46Å; V484-V488 VanDerWaalsContact O-N 3.14Å; P485-V488 PolarHBondContact O-N 2.92Å; V488-C491 PolarHBondContact O-N 3.5Å; V488-F492 HydrophobicContact CG1-CD2 3.61Å; V488-F492 HydrophobicContact CG1-CE2 3.3Å; V488-F492 HydrophobicContact CG1-CZ 4.21Å; V488-F492 VanDerWaalsContact O-CD2 3.29Å; V488-F492 WeakPolarHBondContact O-CD2 3.38Å; V488-F492 PolarHBondContact O-N 3.16Å; V488-Y504 HydrophobicContact CB-CD1 4.38Å; V488-Y504 HydrophobicContact CB-CE1 3.79Å; V488-Y504 HydrophobicContact CG1-CD1 3.78Å; V488-Y504 HydrophobicContact CG1-CD2 4.35Å; V488-Y504 HydrophobicContact CG1-CE1 3.59Å; V488-Y504 HydrophobicContact CG1-CE2 4.18Å; V488-Y504 HydrophobicContact CG1-CG 4.16Å; V488-Y504 HydrophobicContact CG2-CE1 4.24Å
489I82.1Confident79.9Confident3 Ų345 Ų452%0.01524%0.239CC..Hα-helixtrans-65.9-41.9178.9-67.3168.5000110.9P485 K487 C491 F492 A493 I501 Y504 Y510 P512 L517P485-I489 WeakPolarHBondContact O-CB 3.27Å; P485-I489 WeakPolarHBondContact O-CD1 2.97Å; P485-I489 WeakPolarHBondContact O-CG1 3.48Å; P485-I489 PolarHBondContact O-N 3.48Å; K487-I489 VanDerWaalsContact C-N 3.28Å; K487-I489 PolarHBondContact O-N 2.92Å; I489-C491 PolarHBondContact O-N 3.06Å; I489-F492 PolarHBondContact O-N 3.24Å; I489-A493 WeakPolarHBondContact O-CB 3.48Å; I489-A493 PolarHBondContact O-N 2.88Å; I489-I501 HydrophobicContact CB-CG2 4.4Å; I489-I501 HydrophobicContact CG1-CG2 4.11Å; I489-I501 HydrophobicContact CG2-CD1 4.34Å; I489-I501 HydrophobicContact CG2-CG1 4.48Å; I489-I501 HydrophobicContact CG2-CG2 3.65Å; I489-Y504 HydrophobicContact CG1-CD1 4.4Å; I489-Y510 HydrophobicContact CD1-CD1 3.75Å; I489-Y510 HydrophobicContact CD1-CE1 3.94Å; I489-P512 HydrophobicContact CD1-CB 3.94Å; I489-P512 HydrophobicContact CD1-CG 3.91Å; I489-L517 HydrophobicContact CG2-CD1 3.5Å; I489-L517 VanDerWaalsContact CG2-CD1 3.5Å; I489-L517 HydrophobicContact CG2-CD2 3.95Å; I489-L517 HydrophobicContact CG2-CG 4.39Å
490Q79.1Confident79.5Confident90 Ų9050.1 Ų50.142%0.42126%0.261SS..Hα-helixtrans-60.3-43.9173.9-172-178.4-5.300112.1S486 K487 A493 E494S486-Q490 PolarHBondContact O-N 3.35Å; K487-Q490 PolarHBondContact O-N 3.43Å; Q490-A493 WeakPolarHBondContact O-CB 3.44Å; Q490-A493 PolarHBondContact O-N 3.48Å; Q490-E494 WeakPolarHBondContact CG-OE1 3.26Å; Q490-E494 PolarHBondContact NE2-OE1 3.01Å; Q490-E494 VanDerWaalsContact NE2-OE1 3.1Å; Q490-E494 WeakPolarHBondContact O-CG 3.26Å; Q490-E494 PolarHBondContact O-N 2.99Å
491C79.8Confident79.3Confident1 Ų146 Ų461%0.00724%0.24CC..Hα-helixtrans-67.3-38.1176.6-78.40000112.5L476 Y479 K487 V488 I489 A493 E494 T495L476-C491 HydrophobicContact CB-CB 4.33Å; L476-C491 HydrophobicContact CD1-CB 3.79Å; Y479-C491 WeakPolarHBondContact CE2-SG 3.24Å; K487-C491 WeakPolarHBondContact O-CB 3.31Å; K487-C491 PolarHBondContact O-N 3.31Å; V488-C491 PolarHBondContact O-N 3.5Å; I489-C491 PolarHBondContact O-N 3.06Å; C491-A493 VanDerWaalsContact C-N 3.28Å; C491-A493 PolarHBondContact O-N 2.86Å; C491-E494 PolarHBondContact O-N 2.99Å; C491-T495 WeakPolarHBondContact O-CB 3.46Å; C491-T495 VanDerWaalsContact O-CG2 3.29Å; C491-T495 WeakPolarHBondContact O-CG2 3.49Å; C491-T495 PolarHBondContact O-N 2.95Å; C491-T495 PolarHBondContact O-OG1 3.36Å
492F81.1Confident79.1Confident11 Ų1140.9 Ų40.95%0.04822%0.221CC..Hα-helixtrans-63.7-35.6171.4-78-47.3000112.3L476 V488 I489 T495 G496 Q497 K500 I501 Y504L476-F492 HydrophobicContact CD1-CD1 3.89Å; L476-F492 HydrophobicContact CD1-CD2 4.29Å; L476-F492 HydrophobicContact CD1-CE1 3.8Å; L476-F492 HydrophobicContact CD1-CE2 4.2Å; L476-F492 HydrophobicContact CD1-CG 4.13Å; L476-F492 HydrophobicContact CD1-CZ 3.95Å; L476-F492 HydrophobicContact CD2-CD1 3.95Å; L476-F492 HydrophobicContact CD2-CE1 3.58Å; L476-F492 HydrophobicContact CD2-CZ 4.3Å; L476-F492 HydrophobicContact CG-CE1 4.22Å; V488-F492 HydrophobicContact CG1-CD2 3.61Å; V488-F492 HydrophobicContact CG1-CE2 3.3Å; V488-F492 HydrophobicContact CG1-CZ 4.21Å; V488-F492 VanDerWaalsContact O-CD2 3.29Å; V488-F492 WeakPolarHBondContact O-CD2 3.38Å; V488-F492 PolarHBondContact O-N 3.16Å; I489-F492 PolarHBondContact O-N 3.24Å; F492-T495 WeakPolarHBondContact CA-OG1 3.24Å; F492-T495 PolarHBondContact O-OG1 2.93Å; F492-G496 PolarHBondContact O-N 3.24Å; F492-G496 VanDerWaalsContact O-N 3.16Å; F492-Q497 HydrophobicContact CD1-CB 4.01Å; F492-Q497 PolarHBondContact O-N 3.19Å; F492-K500 HydrophobicContact CD1-CB 4.3Å; F492-K500 HydrophobicContact CE1-CB 4.02Å; F492-K500 HydrophobicContact CE1-CD 4.01Å; F492-K500 HydrophobicContact CE2-CB 4.42Å; F492-K500 HydrophobicContact CZ-CB 4.1Å; F492-K500 HydrophobicContact CZ-CD 4.46Å; F492-I501 HydrophobicContact CB-CD1 3.93Å; F492-I501 HydrophobicContact CB-CG1 3.4Å; F492-I501 HydrophobicContact CD2-CG1 4.26Å; F492-I501 HydrophobicContact CG-CG1 4.17Å; F492-Y504 HydrophobicContact CE2-CG 4.3Å
493A76.6Confident78.9Confident21 Ų2145.2 Ų45.217%0.17424%0.241CC..Hα-helixtrans-68.9-42.7176.300000112.1I489 Q490 C491 T495 G496 F498 I501I489-A493 WeakPolarHBondContact O-CB 3.48Å; I489-A493 PolarHBondContact O-N 2.88Å; Q490-A493 WeakPolarHBondContact O-CB 3.44Å; Q490-A493 PolarHBondContact O-N 3.48Å; C491-A493 VanDerWaalsContact C-N 3.28Å; C491-A493 PolarHBondContact O-N 2.86Å; A493-T495 VanDerWaalsContact C-N 3.34Å; A493-T495 PolarHBondContact O-N 3.13Å; A493-G496 PolarHBondContact O-N 3.37Å; A493-F498 HydrophobicContact CB-CE1 3.95Å; A493-F498 WeakPolarHBondContact O-CE1 3.47Å; A493-F498 WeakPolarHBondContact O-CZ 3.44Å; A493-I501 HydrophobicContact CB-CD1 4.22Å
494E75.8Confident78.7Confident101 Ų10141.4 Ų41.447%0.47222%0.218SC..Hα-helixtrans-68.2-31.1176.3-71.7169.1-171.200112.7K468 Q490 C491K468-E494 WeakPolarHBondContact CE-OE2 3.26Å; K468-E494 IonicContact NZ-OE1 3.51Å; K468-E494 PolarHBondContact NZ-OE1 3.5Å; K468-E494 IonicContact NZ-OE2 3.1Å; K468-E494 PolarHBondContact NZ-OE2 2.86Å; Q490-E494 WeakPolarHBondContact CG-OE1 3.26Å; Q490-E494 PolarHBondContact NE2-OE1 3.01Å; Q490-E494 VanDerWaalsContact NE2-OE1 3.1Å; Q490-E494 WeakPolarHBondContact O-CG 3.26Å; Q490-E494 PolarHBondContact O-N 2.99Å; C491-E494 PolarHBondContact O-N 2.99Å
495T73.2Confident78.6Confident42 Ų4240.6 Ų40.626%0.25821%0.214SC..THydrogen-bonded Turntrans-88.90.9177.955.90000113.9M473 C491 F492 A493 Q497M473-T495 HydrophobicContact SD-CG2 4.08Å; C491-T495 WeakPolarHBondContact O-CB 3.46Å; C491-T495 VanDerWaalsContact O-CG2 3.29Å; C491-T495 WeakPolarHBondContact O-CG2 3.49Å; C491-T495 PolarHBondContact O-N 2.95Å; C491-T495 PolarHBondContact O-OG1 3.36Å; F492-T495 WeakPolarHBondContact CA-OG1 3.24Å; F492-T495 PolarHBondContact O-OG1 2.93Å; A493-T495 VanDerWaalsContact C-N 3.34Å; A493-T495 PolarHBondContact O-N 3.13Å; T495-Q497 VanDerWaalsContact C-N 3.31Å; T495-Q497 PolarHBondContact O-N 3Å
496G72.8Confident78.5Confident34 Ų3444 Ų4435%0.35123%0.226SC..THydrogen-bonded Turntrans72.515.1177.500000115.4F492 A493 F498F492-G496 PolarHBondContact O-N 3.24Å; F492-G496 VanDerWaalsContact O-N 3.16Å; A493-G496 PolarHBondContact O-N 3.37Å; G496-F498 PolarHBondContact O-N 3.36Å
497Q78.5Confident78.4Confident56 Ų5650.4 Ų50.426%0.26225%0.247SC..  trans-95.456.2-176.7-64.3-177.131.900112.3F492 T495 Q499 K500F492-Q497 HydrophobicContact CD1-CB 4.01Å; F492-Q497 PolarHBondContact O-N 3.19Å; T495-Q497 VanDerWaalsContact C-N 3.31Å; T495-Q497 PolarHBondContact O-N 3Å; Q497-Q499 VanDerWaalsContact C-N 3.32Å; Q497-Q499 PolarHBondContact O-N 3.11Å; Q497-K500 PolarHBondContact O-N 3.18Å; Q497-K500 VanDerWaalsContact O-N 3.16Å
498F73.4Confident78.2Confident14 Ų1451.8 Ų51.86%0.06126%0.258CS..Hα-helixtrans-63.7-30.1-170.6-56-69.8000114.7A493 G496 K500 I501 V521 Q528 F532A493-F498 HydrophobicContact CB-CE1 3.95Å; A493-F498 WeakPolarHBondContact O-CE1 3.47Å; A493-F498 WeakPolarHBondContact O-CZ 3.44Å; G496-F498 PolarHBondContact O-N 3.36Å; F498-K500 VanDerWaalsContact C-N 3.27Å; F498-K500 PolarHBondContact O-N 2.63Å; F498-I501 HydrophobicContact CD1-CD1 3.75Å; F498-I501 WeakPolarHBondContact O-CB 3.44Å; F498-I501 PolarHBondContact O-N 2.76Å; F498-V521 HydrophobicContact CD1-CG2 3.53Å; F498-V521 HydrophobicContact CD2-CG1 4.48Å; F498-V521 HydrophobicContact CE1-CG2 3.41Å; F498-V521 VanDerWaalsContact CE1-CG2 3.41Å; F498-V521 HydrophobicContact CE2-CG1 4.39Å; F498-V521 HydrophobicContact CG-CG2 4.19Å; F498-V521 HydrophobicContact CZ-CG1 4.47Å; F498-V521 HydrophobicContact CZ-CG2 3.95Å; F498-Q528 HydrophobicContact CD2-CB 4.3Å; F498-F532 HydrophobicContact CB-CD2 3.98Å; F498-F532 HydrophobicContact CB-CE2 4.46Å
499Q74.3Confident77.9Confident123 Ų12354.9 Ų54.958%0.57529%0.29SS*.Hα-helixtrans-61.6-35176.5-68.2179.3-5.400112.6Q497 I501 M535Q497-Q499 VanDerWaalsContact C-N 3.32Å; Q497-Q499 PolarHBondContact O-N 3.11Å; Q499-I501 VanDerWaalsContact C-N 3.32Å; Q499-I501 PolarHBondContact O-N 3.37Å; Q499-M535 HydrophobicContact CB-SD 4.41Å; Q499-M535 HydrophobicContact CG-SD 4.16Å
500K78.9Confident77.8Confident108 Ų10859 Ų5947%0.4731%0.306SS..Hα-helixtrans-75.7-20.7-179.9-67.4-175.3-173166.10112.8F492 Q497 F498 Y504F492-K500 HydrophobicContact CD1-CB 4.3Å; F492-K500 HydrophobicContact CE1-CB 4.02Å; F492-K500 HydrophobicContact CE1-CD 4.01Å; F492-K500 HydrophobicContact CE2-CB 4.42Å; F492-K500 HydrophobicContact CZ-CB 4.1Å; F492-K500 HydrophobicContact CZ-CD 4.46Å; Q497-K500 PolarHBondContact O-N 3.18Å; Q497-K500 VanDerWaalsContact O-N 3.16Å; F498-K500 VanDerWaalsContact C-N 3.27Å; F498-K500 PolarHBondContact O-N 2.63Å; K500-Y504 WeakPolarHBondContact O-CB 3.45Å; K500-Y504 PolarHBondContact O-N 3.08Å
501I80.1Confident77.7Confident1 Ų159.8 Ų59.81%0.00532%0.317CS..Hα-helixtrans-60.7-51.1177.5-65.1177.3000110.2I489 F492 A493 F498 Q499 Y504 A505 W514 F532I489-I501 HydrophobicContact CB-CG2 4.4Å; I489-I501 HydrophobicContact CG1-CG2 4.11Å; I489-I501 HydrophobicContact CG2-CD1 4.34Å; I489-I501 HydrophobicContact CG2-CG1 4.48Å; I489-I501 HydrophobicContact CG2-CG2 3.65Å; F492-I501 HydrophobicContact CB-CD1 3.93Å; F492-I501 HydrophobicContact CB-CG1 3.4Å; F492-I501 HydrophobicContact CD2-CG1 4.26Å; F492-I501 HydrophobicContact CG-CG1 4.17Å; A493-I501 HydrophobicContact CB-CD1 4.22Å; F498-I501 HydrophobicContact CD1-CD1 3.75Å; F498-I501 WeakPolarHBondContact O-CB 3.44Å; F498-I501 PolarHBondContact O-N 2.76Å; Q499-I501 VanDerWaalsContact C-N 3.32Å; Q499-I501 PolarHBondContact O-N 3.37Å; I501-Y504 PolarHBondContact O-N 3.16Å; I501-A505 VanDerWaalsContact O-CB 3.27Å; I501-A505 WeakPolarHBondContact O-CB 3.46Å; I501-A505 PolarHBondContact O-N 3.37Å; I501-W514 HydrophobicContact CG2-CZ3 3.95Å; I501-F532 HydrophobicContact CB-CE2 4.28Å; I501-F532 HydrophobicContact CG2-CE2 4.26Å; I501-F532 HydrophobicContact CG2-CZ 4.37Å
502V76.9Confident77.5Confident2 Ų260.5 Ų60.51%0.01232%0.322CS..Hα-helixtrans-65.8-44.3-177.8-177.50000110.8Y504 A505 K506 W514 F532 M535V502-Y504 PolarHBondContact O-N 3.32Å; V502-A505 PolarHBondContact O-N 3.45Å; V502-K506 HydrophobicContact CG1-CD 4.49Å; V502-K506 WeakPolarHBondContact O-CG 3.42Å; V502-K506 PolarHBondContact O-N 3.21Å; V502-W514 HydrophobicContact CG2-CH2 4.4Å; V502-W514 HydrophobicContact CG2-CZ3 4.2Å; V502-F532 HydrophobicContact CG2-CD2 4.22Å; V502-F532 HydrophobicContact CG2-CE2 3.78Å; V502-M535 HydrophobicContact CB-CE 3.94Å; V502-M535 HydrophobicContact CG1-CE 4.32Å; V502-M535 HydrophobicContact CG2-CB 4.13Å; V502-M535 HydrophobicContact CG2-CE 4.26Å
503L78.3Confident77.5Confident113 Ų11364.9 Ų64.959%0.59235%0.346SS*.Hα-helixtrans-62.5-42177.9-66.1174.2000112.2K507L503-K507 WeakPolarHBondContact O-CB 3.43Å; L503-K507 PolarHBondContact O-N 3.07Å; L503-K507 VanDerWaalsContact O-N 3.12Å
504Y80.9Confident77.7Confident25 Ų2564.6 Ų64.610%0.09834%0.34CS..Hα-helixtrans-66.6-50.1177.3178.2-99.2000111L480 P485 V488 I489 F492 K500 I501 V502 K506 K507 V508L480-Y504 HydrophobicContact CG-CE2 4.14Å; P485-Y504 HydrophobicContact CB-CE1 4.03Å; V488-Y504 HydrophobicContact CB-CD1 4.38Å; V488-Y504 HydrophobicContact CB-CE1 3.79Å; V488-Y504 HydrophobicContact CG1-CD1 3.78Å; V488-Y504 HydrophobicContact CG1-CD2 4.35Å; V488-Y504 HydrophobicContact CG1-CE1 3.59Å; V488-Y504 HydrophobicContact CG1-CE2 4.18Å; V488-Y504 HydrophobicContact CG1-CG 4.16Å; V488-Y504 HydrophobicContact CG2-CE1 4.24Å; I489-Y504 HydrophobicContact CG1-CD1 4.4Å; F492-Y504 HydrophobicContact CE2-CG 4.3Å; K500-Y504 WeakPolarHBondContact O-CB 3.45Å; K500-Y504 PolarHBondContact O-N 3.08Å; I501-Y504 PolarHBondContact O-N 3.16Å; V502-Y504 PolarHBondContact O-N 3.32Å; Y504-K506 VanDerWaalsContact C-N 3.32Å; Y504-K506 PolarHBondContact O-N 3.45Å; Y504-K507 PolarHBondContact O-N 3.44Å; Y504-V508 HydrophobicContact CD1-CG2 4.22Å; Y504-V508 HydrophobicContact CD2-CG1 4.36Å; Y504-V508 HydrophobicContact CE1-CG1 4.28Å; Y504-V508 HydrophobicContact CE1-CG2 3.92Å; Y504-V508 HydrophobicContact CE2-CG1 3.81Å; Y504-V508 VanDerWaalsContact O-CG2 3.31Å; Y504-V508 WeakPolarHBondContact O-CG2 3.37Å; Y504-V508 PolarHBondContact O-N 3.25Å
505A80.6Confident77.9Confident3 Ų361 Ų613%0.02532%0.324CS..Hα-helixtrans-55.4-43.617900000112.5I501 V502 G509 Y510 W514I501-A505 VanDerWaalsContact O-CB 3.27Å; I501-A505 WeakPolarHBondContact O-CB 3.46Å; I501-A505 PolarHBondContact O-N 3.37Å; V502-A505 PolarHBondContact O-N 3.45Å; A505-G509 WeakPolarHBondContact O-CA 3.24Å; A505-G509 PolarHBondContact O-N 3.35Å; A505-Y510 WeakPolarHBondContact CB-O 3.16Å; A505-Y510 PolarHBondContact O-N 3.43Å; A505-Y510 VanDerWaalsContact O-N 3.08Å; A505-W514 HydrophobicContact CB-CH2 3.69Å; A505-W514 HydrophobicContact CB-CZ2 4.05Å
506K78.9Confident78.2Confident93 Ų9366.2 Ų66.240%0.40434%0.343SS..Hα-helixtrans-63.3-43.2173.9-73.3-174.1-175.5-175.90112.4V502 Y504 V508 G509 D539V502-K506 HydrophobicContact CG1-CD 4.49Å; V502-K506 WeakPolarHBondContact O-CG 3.42Å; V502-K506 PolarHBondContact O-N 3.21Å; Y504-K506 VanDerWaalsContact C-N 3.32Å; Y504-K506 PolarHBondContact O-N 3.45Å; K506-V508 PolarHBondContact O-N 3.14Å; K506-G509 PolarHBondContact O-N 3.06Å; K506-D539 WeakPolarHBondContact CE-OD2 3.49Å; K506-D539 IonicContact NZ-OD1 2.9Å; K506-D539 PolarHBondContact NZ-OD1 3.47Å; K506-D539 IonicContact NZ-OD2 3.28Å; K506-D539 PolarHBondContact NZ-OD2 3.16Å
507K79.3Confident78.4Confident190 Ų19065.8 Ų65.883%0.82633%0.333SS*.Hα-helixtrans-66.2-35.8-178.8-171.1175.8-178.71790112.9L503 Y504L503-K507 WeakPolarHBondContact O-CB 3.43Å; L503-K507 PolarHBondContact O-N 3.07Å; L503-K507 VanDerWaalsContact O-N 3.12Å; Y504-K507 PolarHBondContact O-N 3.44Å
508V79.7Confident78.5Confident56 Ų5663.1 Ų63.134%0.33932%0.32SS..Hα-helixtrans-92.7-8.5178.8-61.80000113.9P485 Y504 K506 Y510P485-V508 HydrophobicContact CB-CG2 4.31Å; P485-V508 HydrophobicContact CG-CG2 4.18Å; Y504-V508 HydrophobicContact CD1-CG2 4.22Å; Y504-V508 HydrophobicContact CD2-CG1 4.36Å; Y504-V508 HydrophobicContact CE1-CG1 4.28Å; Y504-V508 HydrophobicContact CE1-CG2 3.92Å; Y504-V508 HydrophobicContact CE2-CG1 3.81Å; Y504-V508 VanDerWaalsContact O-CG2 3.31Å; Y504-V508 WeakPolarHBondContact O-CG2 3.37Å; Y504-V508 PolarHBondContact O-N 3.25Å; K506-V508 PolarHBondContact O-N 3.14Å; V508-Y510 VanDerWaalsContact C-N 3.34Å
509G76.4Confident78.8Confident66 Ų6667.6 Ų67.668%0.6834%0.337SS*.THydrogen-bonded Turntrans68.328.3-17700000114.1A505 K506A505-G509 WeakPolarHBondContact O-CA 3.24Å; A505-G509 PolarHBondContact O-N 3.35Å; K506-G509 PolarHBondContact O-N 3.06Å
510Y80.1Confident78.9Confident88 Ų8863.3 Ų63.335%0.34533%0.325SS..  trans-101.4132-179.2179-101.2000111.3P485 I489 A505 V508 P512P485-Y510 HydrophobicContact CB-CD1 3.43Å; P485-Y510 VanDerWaalsContact CB-CD1 3.43Å; P485-Y510 HydrophobicContact CB-CD2 3.96Å; P485-Y510 HydrophobicContact CB-CE1 3.97Å; P485-Y510 HydrophobicContact CB-CE2 4.44Å; P485-Y510 HydrophobicContact CB-CG 3.42Å; P485-Y510 VanDerWaalsContact CB-CG 3.42Å; P485-Y510 HydrophobicContact CG-CD1 4.44Å; P485-Y510 HydrophobicContact CG-CD2 4.16Å; P485-Y510 HydrophobicContact CG-CG 3.95Å; I489-Y510 HydrophobicContact CD1-CD1 3.75Å; I489-Y510 HydrophobicContact CD1-CE1 3.94Å; A505-Y510 WeakPolarHBondContact CB-O 3.16Å; A505-Y510 PolarHBondContact O-N 3.43Å; A505-Y510 VanDerWaalsContact O-N 3.08Å; V508-Y510 VanDerWaalsContact C-N 3.34Å; Y510-P512 HydrophobicContact CD1-CB 4.36Å; Y510-P512 HydrophobicContact CE1-CB 3.88Å; Y510-P512 WeakPolarHBondContact O-CD 3.44Å
511T76.5Confident78.7Confident108 Ų10858.2 Ų58.266%0.66330%0.304SS*.  trans-104.495.517946.60000111.2
512P76.1Confident78.5Confident15 Ų1558.5 Ų58.510%0.09731%0.305CS..  trans-71.2166.6173.832.3-38000112.2I489 Y510 W514 L517I489-P512 HydrophobicContact CD1-CB 3.94Å; I489-P512 HydrophobicContact CD1-CG 3.91Å; Y510-P512 HydrophobicContact CD1-CB 4.36Å; Y510-P512 HydrophobicContact CE1-CB 3.88Å; Y510-P512 WeakPolarHBondContact O-CD 3.44Å; P512-W514 VanDerWaalsContact C-N 3.3Å; P512-W514 VanDerWaalsContact CD-CZ2 3.44Å; P512-W514 HydrophobicContact CG-CD2 3.64Å; P512-W514 HydrophobicContact CG-CE3 3.7Å; P512-W514 HydrophobicContact CG-CG 4.44Å; P512-W514 HydrophobicContact CG-CH2 3.63Å; P512-W514 HydrophobicContact CG-CZ2 3.55Å; P512-W514 HydrophobicContact CG-CZ3 3.71Å; P512-W514 VanDerWaalsContact O-CD1 3.22Å; P512-W514 PolarHBondContact O-N 3.02Å; P512-L517 HydrophobicContact CB-CD1 3.84Å; P512-L517 HydrophobicContact CG-CD1 4.06Å
513D81.1Confident78.4Confident104 Ų10466.9 Ų66.956%0.55634%0.341SS*.  trans-70.590.8164.3-174-14.3000109.6I515 F516 L517D513-I515 PolarHBondContact O-N 3.47Å; D513-I515 WeakPolarHBondContact OD1-CB 3.3Å; D513-I515 PolarHBondContact OD1-N 3.45Å; D513-I515 VanDerWaalsContact OD1-N 3.08Å; D513-F516 HydrophobicContact CB-CB 4.13Å; D513-F516 PolarHBondContact O-N 3.06Å; D513-F516 PolarHBondContact OD1-N 3.3Å; D513-F516 VanDerWaalsContact OD1-N 3.08Å; D513-L517 WeakPolarHBondContact O-CG 3.45Å; D513-L517 PolarHBondContact O-N 2.83Å
514W79Confident78.3Confident14 Ų1467.3 Ų67.35%0.05334%0.343CS..Hα-helixtrans-61.4-30.4-179.6-63.1114.7000113.3I501 V502 A505 P512 L517 L518 F532 L536 L543 A544I501-W514 HydrophobicContact CG2-CZ3 3.95Å; V502-W514 HydrophobicContact CG2-CH2 4.4Å; V502-W514 HydrophobicContact CG2-CZ3 4.2Å; A505-W514 HydrophobicContact CB-CH2 3.69Å; A505-W514 HydrophobicContact CB-CZ2 4.05Å; P512-W514 VanDerWaalsContact C-N 3.3Å; P512-W514 VanDerWaalsContact CD-CZ2 3.44Å; P512-W514 HydrophobicContact CG-CD2 3.64Å; P512-W514 HydrophobicContact CG-CE3 3.7Å; P512-W514 HydrophobicContact CG-CG 4.44Å; P512-W514 HydrophobicContact CG-CH2 3.63Å; P512-W514 HydrophobicContact CG-CZ2 3.55Å; P512-W514 HydrophobicContact CG-CZ3 3.71Å; P512-W514 VanDerWaalsContact O-CD1 3.22Å; P512-W514 PolarHBondContact O-N 3.02Å; W514-L517 HydrophobicContact CE3-CD1 4.35Å; W514-L518 WeakPolarHBondContact O-CB 3.38Å; W514-L518 PolarHBondContact O-N 3.07Å; W514-F532 AromaticContact CE3-CZ 3.92Å; W514-F532 HydrophobicContact CE3-CZ 3.92Å; W514-F532 HydrophobicContact CZ3-CE2 4.41Å; W514-F532 AromaticContact CZ3-CZ 3.96Å; W514-F532 HydrophobicContact CZ3-CZ 3.96Å; W514-L536 HydrophobicContact CB-CD2 3.55Å; W514-L536 HydrophobicContact CD2-CD2 3.32Å; W514-L536 HydrophobicContact CE3-CD2 3.46Å; W514-L536 VanDerWaalsContact CE3-CD2 3.46Å; W514-L536 HydrophobicContact CE3-CG 4.43Å; W514-L536 HydrophobicContact CG-CD2 3.39Å; W514-L536 HydrophobicContact CZ3-CD2 4.21Å; W514-L543 HydrophobicContact CZ2-CD1 4.22Å; W514-L543 PolarHBondContact NE1-O 3.47Å; W514-A544 HydrophobicContact CB-CB 3.84Å; W514-A544 HydrophobicContact CG-CB 4.38Å
515I80.6Confident78Confident25 Ų2567.3 Ų67.313%0.12835%0.346CS..Hα-helixtrans-73.3-43.7-177.8-60.3-56.3000110.1D513 L518 R519 A544 Q548 I549 I552D513-I515 PolarHBondContact O-N 3.47Å; D513-I515 WeakPolarHBondContact OD1-CB 3.3Å; D513-I515 PolarHBondContact OD1-N 3.45Å; D513-I515 VanDerWaalsContact OD1-N 3.08Å; I515-L518 PolarHBondContact O-N 3.36Å; I515-R519 PolarHBondContact O-N 3.42Å; I515-A544 HydrophobicContact CD1-CB 4.13Å; I515-Q548 HydrophobicContact CD1-CB 3.75Å; I515-Q548 HydrophobicContact CG1-CB 4.27Å; I515-I549 HydrophobicContact CD1-CG1 3.9Å; I515-I552 HydrophobicContact CG2-CD1 3.6Å
516F80.4Confident77.7Confident152 Ų15269.7 Ų69.767%0.66736%0.361SS*.Hα-helixtrans-61.3-44.5173.6-179.3-98.6000111.9D513 R519 G520D513-F516 HydrophobicContact CB-CB 4.13Å; D513-F516 PolarHBondContact O-N 3.06Å; D513-F516 PolarHBondContact OD1-N 3.3Å; D513-F516 VanDerWaalsContact OD1-N 3.08Å; F516-R519 PolarHBondContact O-N 3.42Å; F516-G520 PolarHBondContact O-N 3.06Å; F516-G520 VanDerWaalsContact O-N 3.1Å
517L77.4Confident77.6Confident25 Ų2572.2 Ų72.213%0.13138%0.375CS..Hα-helixtrans-62.8-44.2176.3-69171.1000111.5I489 P512 D513 W514 R519 G520 V521 F532I489-L517 HydrophobicContact CG2-CD1 3.5Å; I489-L517 VanDerWaalsContact CG2-CD1 3.5Å; I489-L517 HydrophobicContact CG2-CD2 3.95Å; I489-L517 HydrophobicContact CG2-CG 4.39Å; P512-L517 HydrophobicContact CB-CD1 3.84Å; P512-L517 HydrophobicContact CG-CD1 4.06Å; D513-L517 WeakPolarHBondContact O-CG 3.45Å; D513-L517 PolarHBondContact O-N 2.83Å; W514-L517 HydrophobicContact CE3-CD1 4.35Å; L517-R519 PolarHBondContact O-N 3.44Å; L517-G520 WeakPolarHBondContact O-CA 3.35Å; L517-G520 PolarHBondContact O-N 3.42Å; L517-G520 VanDerWaalsContact O-N 3.09Å; L517-V521 VanDerWaalsContact O-CG2 3.3Å; L517-V521 WeakPolarHBondContact O-CG2 3.38Å; L517-V521 PolarHBondContact O-N 3.15Å; L517-F532 HydrophobicContact CB-CE1 4.25Å; L517-F532 HydrophobicContact CB-CZ 4.46Å
518L78.8Confident77.3Confident0 Ų067.1 Ų67.10%035%0.354CS..Hα-helixtrans-64.3-40.7179.2-171.2143.2000112W514 I515 G520 V521 M522 F532 L536 I549 I552W514-L518 WeakPolarHBondContact O-CB 3.38Å; W514-L518 PolarHBondContact O-N 3.07Å; I515-L518 PolarHBondContact O-N 3.36Å; L518-G520 VanDerWaalsContact C-N 3.27Å; L518-G520 PolarHBondContact O-N 3.38Å; L518-V521 PolarHBondContact O-N 3.48Å; L518-M522 HydrophobicContact CD2-CE 3.88Å; L518-M522 HydrophobicContact CD2-CG 3.89Å; L518-M522 HydrophobicContact CG-CE 4.18Å; L518-M522 HydrophobicContact CG-CG 4.4Å; L518-M522 WeakPolarHBondContact O-CB 3.26Å; L518-M522 WeakPolarHBondContact O-CG 3.26Å; L518-M522 PolarHBondContact O-N 2.95Å; L518-F532 HydrophobicContact CB-CD1 4.44Å; L518-F532 HydrophobicContact CB-CE1 4.47Å; L518-F532 HydrophobicContact CD1-CD1 4.46Å; L518-L536 HydrophobicContact CD1-CD1 3.84Å; L518-I549 HydrophobicContact CD1-CG1 4.21Å; L518-I549 HydrophobicContact CD1-CG2 3.94Å; L518-I549 HydrophobicContact CD2-CG2 4.38Å; L518-I552 HydrophobicContact CD2-CB 3.97Å; L518-I552 HydrophobicContact CD2-CD1 3.7Å; L518-I552 HydrophobicContact CD2-CG1 4.45Å; L518-I552 HydrophobicContact CD2-CG2 3.67Å
519R80.3Confident77.2Confident109 Ų10964.4 Ų64.441%0.41134%0.338SS..Hα-helixtrans-58.8-38.6170.7-80.6-176.4167.7155.2-1.4112.4I515 F516 L517 K523 I552 E555I515-R519 PolarHBondContact O-N 3.42Å; F516-R519 PolarHBondContact O-N 3.42Å; L517-R519 PolarHBondContact O-N 3.44Å; R519-K523 WeakPolarHBondContact O-CG 3.3Å; R519-K523 PolarHBondContact O-N 2.79Å; R519-I552 HydrophobicContact CG-CB 4.5Å; R519-I552 HydrophobicContact CG-CD1 3.57Å; R519-I552 HydrophobicContact CG-CG1 3.72Å; R519-I552 HydrophobicContact CG-CG2 3.9Å; R519-E555 IonicContact CZ-OE1 2.61Å; R519-E555 IonicContact CZ-OE2 3.92Å; R519-E555 IonicContact NE-OE2 2.76Å; R519-E555 PolarHBondContact NE-OE2 3.48Å; R519-E555 IonicContact NH2-OE1 3.33Å; R519-E555 PolarHBondContact NH2-OE1 3.18Å; R519-E555 IonicContact NH2-OE2 2.87Å; R519-E555 PolarHBondContact NH2-OE2 3.19Å
520G76.1Confident77.3Confident32 Ų3262.3 Ų62.333%0.3331%0.311SS..Hα-helixtrans-63.9-47.1174.100000112.5F516 L517 L518 K523 I524F516-G520 PolarHBondContact O-N 3.06Å; F516-G520 VanDerWaalsContact O-N 3.1Å; L517-G520 WeakPolarHBondContact O-CA 3.35Å; L517-G520 PolarHBondContact O-N 3.42Å; L517-G520 VanDerWaalsContact O-N 3.09Å; L518-G520 VanDerWaalsContact C-N 3.27Å; L518-G520 PolarHBondContact O-N 3.38Å; G520-K523 PolarHBondContact O-N 3.5Å; G520-I524 WeakPolarHBondContact O-CD1 3.32Å; G520-I524 WeakPolarHBondContact O-CG1 3.45Å; G520-I524 PolarHBondContact O-N 3.24Å
521V75.5Confident77.1Confident2 Ų263.2 Ų63.21%0.01232%0.318CS..Hα-helixtrans-63.5-44.6178.2-179.60000111.5F498 L517 L518 K523 I524 S525 Q528 G529 F532F498-V521 HydrophobicContact CD1-CG2 3.53Å; F498-V521 HydrophobicContact CD2-CG1 4.48Å; F498-V521 HydrophobicContact CE1-CG2 3.41Å; F498-V521 VanDerWaalsContact CE1-CG2 3.41Å; F498-V521 HydrophobicContact CE2-CG1 4.39Å; F498-V521 HydrophobicContact CG-CG2 4.19Å; F498-V521 HydrophobicContact CZ-CG1 4.47Å; F498-V521 HydrophobicContact CZ-CG2 3.95Å; L517-V521 VanDerWaalsContact O-CG2 3.3Å; L517-V521 WeakPolarHBondContact O-CG2 3.38Å; L517-V521 PolarHBondContact O-N 3.15Å; L518-V521 PolarHBondContact O-N 3.48Å; V521-K523 PolarHBondContact O-N 3.15Å; V521-I524 PolarHBondContact O-N 3.39Å; V521-S525 CarbonylContact O-C 3.55Å; V521-S525 PolarHBondContact O-N 2.94Å; V521-Q528 HydrophobicContact CG1-CB 4.38Å; V521-G529 VanDerWaalsContact CG1-CA 3.49Å; V521-F532 HydrophobicContact CG2-CD1 4.25Å
522M74.9Confident77.1Confident7 Ų758.2 Ų58.23%0.03429%0.287CS..Hα-helixtrans-62.2-31.7-178.9-71.4-64.8178.700112.7L518 G529 I552 F553 L558L518-M522 HydrophobicContact CD2-CE 3.88Å; L518-M522 HydrophobicContact CD2-CG 3.89Å; L518-M522 HydrophobicContact CG-CE 4.18Å; L518-M522 HydrophobicContact CG-CG 4.4Å; L518-M522 WeakPolarHBondContact O-CB 3.26Å; L518-M522 WeakPolarHBondContact O-CG 3.26Å; L518-M522 PolarHBondContact O-N 2.95Å; M522-G529 VanDerWaalsContact CE-C 3.45Å; M522-G529 WeakPolarHBondContact CE-O 3.41Å; M522-I552 HydrophobicContact CB-CG2 4.42Å; M522-I552 HydrophobicContact CG-CG2 4.03Å; M522-F553 HydrophobicContact CE-CD1 3.91Å; M522-F553 HydrophobicContact CE-CD2 4.26Å; M522-F553 HydrophobicContact CE-CE1 3.27Å; M522-F553 HydrophobicContact CE-CE2 3.67Å; M522-F553 HydrophobicContact CE-CG 4.38Å; M522-F553 HydrophobicContact CE-CZ 3.15Å; M522-F553 HydrophobicContact SD-CD1 4.38Å; M522-F553 HydrophobicContact SD-CE1 4.01Å; M522-F553 HydrophobicContact SD-CZ 4.44Å; M522-L558 HydrophobicContact SD-CD1 4.39Å
523K75.8Confident77.2Confident178 Ų17857.5 Ų57.577%0.77428%0.282SS*.Hα-helixtrans-72.8-30.7173.8-75.1-178.8-179.8-176.90113.5R519 G520 V521R519-K523 WeakPolarHBondContact O-CG 3.3Å; R519-K523 PolarHBondContact O-N 2.79Å; G520-K523 PolarHBondContact O-N 3.5Å; V521-K523 PolarHBondContact O-N 3.15Å
524I75.6Confident77Confident121 Ų12156.8 Ų56.862%0.62127%0.272SS*.Hα-helixtrans-86.2-47.3-177.4-62.8164.9000110.5G520 V521G520-I524 WeakPolarHBondContact O-CD1 3.32Å; G520-I524 WeakPolarHBondContact O-CG1 3.45Å; G520-I524 PolarHBondContact O-N 3.24Å; V521-I524 PolarHBondContact O-N 3.39Å
525S75.9Confident76.7Confident25 Ų2558.1 Ų58.118%0.17528%0.279CS..  trans-156.9112-178.756.80000111.6V521 E527 Q528 G529V521-S525 CarbonylContact O-C 3.55Å; V521-S525 PolarHBondContact O-N 2.94Å; S525-E527 VanDerWaalsContact C-N 3.34Å; S525-E527 PolarHBondContact O-N 3.28Å; S525-Q528 PolarHBondContact O-N 3.37Å; S525-Q528 WeakPolarHBondContact OG-CB 3.35Å; S525-Q528 WeakPolarHBondContact OG-CG 3.31Å; S525-Q528 PolarHBondContact OG-OE1 3.13Å; S525-G529 PolarHBondContact O-N 3.23Å; S525-G529 VanDerWaalsContact O-N 3.09Å
526P73.7Confident76.4Confident53 Ų5357 Ų5734%0.34427%0.274SS..Hα-helixtrans-58.6-40.1177.9-27.335.7000113.9Q528 G529 L530 L558 Q561P526-Q528 PolarHBondContact O-N 2.97Å; P526-G529 WeakPolarHBondContact O-CA 3.1Å; P526-G529 PolarHBondContact O-N 2.95Å; P526-G529 VanDerWaalsContact O-N 3.16Å; P526-L530 PolarHBondContact O-N 3.15Å; P526-L558 HydrophobicContact CB-CD1 3.85Å; P526-L558 HydrophobicContact CB-CD2 4.33Å; P526-L558 HydrophobicContact CG-CD1 4.36Å; P526-Q561 PolarHBondContact O-OE1 3.28Å
527E76.2Confident76Confident147 Ų14750.9 Ų50.969%0.68725%0.248SC*.Hα-helixtrans-65.8-40.8-178.2-67.5-176.8171.700113.2S525 G529 L530 Q531S525-E527 VanDerWaalsContact C-N 3.34Å; S525-E527 PolarHBondContact O-N 3.28Å; E527-G529 VanDerWaalsContact C-N 3.3Å; E527-L530 WeakPolarHBondContact O-CB 3.27Å; E527-L530 PolarHBondContact O-N 3.45Å; E527-Q531 PolarHBondContact O-N 3.4Å
528Q74.1Confident75.5Confident82 Ų8257 Ų5738%0.38328%0.276SS..Hα-helixtrans-73.8-28174.9-55.7-175.6-700111F498 V521 S525 P526 L530 Q531 F532F498-Q528 HydrophobicContact CD2-CB 4.3Å; V521-Q528 HydrophobicContact CG1-CB 4.38Å; S525-Q528 PolarHBondContact O-N 3.37Å; S525-Q528 WeakPolarHBondContact OG-CB 3.35Å; S525-Q528 WeakPolarHBondContact OG-CG 3.31Å; S525-Q528 PolarHBondContact OG-OE1 3.13Å; P526-Q528 PolarHBondContact O-N 2.97Å; Q528-L530 VanDerWaalsContact C-N 3.32Å; Q528-L530 PolarHBondContact O-N 3.13Å; Q528-Q531 PolarHBondContact O-N 2.95Å; Q528-F532 VanDerWaalsContact O-CB 3.27Å; Q528-F532 WeakPolarHBondContact O-CB 3.38Å; Q528-F532 PolarHBondContact O-N 3Å
529G77Confident74.6Confident0 Ų060.7 Ų60.70%030%0.296CS..Hα-helixtrans-60.9-39169.700000112.6V521 M522 S525 P526 E527 F532 S533V521-G529 VanDerWaalsContact CG1-CA 3.49Å; M522-G529 VanDerWaalsContact CE-C 3.45Å; M522-G529 WeakPolarHBondContact CE-O 3.41Å; S525-G529 PolarHBondContact O-N 3.23Å; S525-G529 VanDerWaalsContact O-N 3.09Å; P526-G529 WeakPolarHBondContact O-CA 3.1Å; P526-G529 PolarHBondContact O-N 2.95Å; P526-G529 VanDerWaalsContact O-N 3.16Å; E527-G529 VanDerWaalsContact C-N 3.3Å; G529-F532 PolarHBondContact O-N 2.92Å; G529-S533 WeakPolarHBondContact O-CB 3.43Å; G529-S533 PolarHBondContact O-N 3.33Å; G529-S533 PolarHBondContact O-OG 3.5Å
530L77.4Confident73.2Confident22 Ų2264 Ų6412%0.11532%0.316CS..Hα-helixtrans-65-42.6173-176.865.1000112.4P526 E527 Q528 S533 R534 F553 Q561 F565P526-L530 PolarHBondContact O-N 3.15Å; E527-L530 WeakPolarHBondContact O-CB 3.27Å; E527-L530 PolarHBondContact O-N 3.45Å; Q528-L530 VanDerWaalsContact C-N 3.32Å; Q528-L530 PolarHBondContact O-N 3.13Å; L530-S533 WeakPolarHBondContact CA-OG 3.06Å; L530-S533 PolarHBondContact O-OG 2.83Å; L530-R534 WeakPolarHBondContact O-CG 3.39Å; L530-R534 PolarHBondContact O-N 3.31Å; L530-R534 VanDerWaalsContact O-N 3.16Å; L530-F553 HydrophobicContact CD1-CZ 4.16Å; L530-Q561 HydrophobicContact CD1-CB 4.43Å; L530-Q561 WeakPolarHBondContact CD1-O 3.43Å; L530-F565 HydrophobicContact CD1-CB 3.75Å
531Q76.3Confident72.3Confident106 Ų10670.4 Ų70.450%0.49534%0.338SS..Hα-helixtrans-67.5-40.1176.3-67.6-176.1-0.400112.2E527 Q528 R534 M535E527-Q531 PolarHBondContact O-N 3.4Å; Q528-Q531 PolarHBondContact O-N 2.95Å; Q531-R534 PolarHBondContact O-N 2.83Å; Q531-M535 WeakPolarHBondContact O-CG 3.49Å; Q531-M535 PolarHBondContact O-N 3.28Å
532F77.8Confident71.7Confident3 Ų373.1 Ų73.11%0.01336%0.355CS..Hα-helixtrans-66.2-45178.8-171-116000111.7F498 I501 V502 W514 L517 L518 V521 Q528 G529 R534 M535 L536F498-F532 HydrophobicContact CB-CD2 3.98Å; F498-F532 HydrophobicContact CB-CE2 4.46Å; I501-F532 HydrophobicContact CB-CE2 4.28Å; I501-F532 HydrophobicContact CG2-CE2 4.26Å; I501-F532 HydrophobicContact CG2-CZ 4.37Å; V502-F532 HydrophobicContact CG2-CD2 4.22Å; V502-F532 HydrophobicContact CG2-CE2 3.78Å; W514-F532 AromaticContact CE3-CZ 3.92Å; W514-F532 HydrophobicContact CE3-CZ 3.92Å; W514-F532 HydrophobicContact CZ3-CE2 4.41Å; W514-F532 AromaticContact CZ3-CZ 3.96Å; W514-F532 HydrophobicContact CZ3-CZ 3.96Å; L517-F532 HydrophobicContact CB-CE1 4.25Å; L517-F532 HydrophobicContact CB-CZ 4.46Å; L518-F532 HydrophobicContact CB-CD1 4.44Å; L518-F532 HydrophobicContact CB-CE1 4.47Å; L518-F532 HydrophobicContact CD1-CD1 4.46Å; V521-F532 HydrophobicContact CG2-CD1 4.25Å; Q528-F532 VanDerWaalsContact O-CB 3.27Å; Q528-F532 WeakPolarHBondContact O-CB 3.38Å; Q528-F532 PolarHBondContact O-N 3Å; G529-F532 PolarHBondContact O-N 2.92Å; F532-R534 VanDerWaalsContact C-N 3.33Å; F532-R534 PolarHBondContact O-N 3.17Å; F532-M535 PolarHBondContact O-N 2.82Å; F532-L536 HydrophobicContact CD1-CD1 3.7Å; F532-L536 HydrophobicContact CE1-CD1 3.72Å; F532-L536 HydrophobicContact CG-CD1 4.31Å; F532-L536 HydrophobicContact CZ-CD1 4.35Å; F532-L536 WeakPolarHBondContact O-CD1 3.3Å; F532-L536 PolarHBondContact O-N 3.17Å; F532-L536 VanDerWaalsContact O-N 3.14Å
533S77.4Confident71.3Confident0 Ų075.5 Ų75.50%037%0.368CS..Hα-helixtrans-59.4-39.1174.354.20000112.7G529 L530 L536 F565G529-S533 WeakPolarHBondContact O-CB 3.43Å; G529-S533 PolarHBondContact O-N 3.33Å; G529-S533 PolarHBondContact O-OG 3.5Å; L530-S533 WeakPolarHBondContact CA-OG 3.06Å; L530-S533 PolarHBondContact O-OG 2.83Å; S533-L536 WeakPolarHBondContact O-CB 3.41Å; S533-L536 PolarHBondContact O-N 3.08Å; S533-F565 WeakPolarHBondContact O-CE2 3.19Å; S533-F565 WeakPolarHBondContact OG-CD2 3.39Å
534R76.8Confident70.9Confident89 Ų8967.6 Ų67.634%0.33634%0.336SS..Hα-helixtrans-60.9-44.3172.6-75.5172.2168.8166.5-1.1112.9L530 Q531 F532 L536 V537 Q538 D568L530-R534 WeakPolarHBondContact O-CG 3.39Å; L530-R534 PolarHBondContact O-N 3.31Å; L530-R534 VanDerWaalsContact O-N 3.16Å; Q531-R534 PolarHBondContact O-N 2.83Å; F532-R534 VanDerWaalsContact C-N 3.33Å; F532-R534 PolarHBondContact O-N 3.17Å; R534-L536 PolarHBondContact O-N 2.96Å; R534-V537 PolarHBondContact O-N 3.38Å; R534-Q538 WeakPolarHBondContact O-CG 3.44Å; R534-Q538 PolarHBondContact O-N 3.1Å; R534-D568 IonicContact CZ-OD2 2.72Å; R534-D568 IonicContact NE-OD2 3.37Å; R534-D568 PolarHBondContact NE-OD2 2.96Å; R534-D568 IonicContact NH2-OD2 3.23Å; R534-D568 PolarHBondContact NH2-OD2 2.81Å
535M73.8Confident70.8Confident43 Ų4366.1 Ų66.121%0.21233%0.33CS..Hα-helixtrans-66.1-26.6179.1-68.7-176.774.300113.2Q499 V502 Q531 F532 V537Q499-M535 HydrophobicContact CB-SD 4.41Å; Q499-M535 HydrophobicContact CG-SD 4.16Å; V502-M535 HydrophobicContact CB-CE 3.94Å; V502-M535 HydrophobicContact CG1-CE 4.32Å; V502-M535 HydrophobicContact CG2-CB 4.13Å; V502-M535 HydrophobicContact CG2-CE 4.26Å; Q531-M535 WeakPolarHBondContact O-CG 3.49Å; Q531-M535 PolarHBondContact O-N 3.28Å; F532-M535 PolarHBondContact O-N 2.82Å; M535-V537 VanDerWaalsContact C-N 3.3Å; M535-V537 PolarHBondContact O-N 3.22Å
536L73.4Confident70.6Confident1 Ų165.4 Ų65.41%0.00532%0.324CS..Hα-helixtrans-70.5-23177.8-81.8151.3000113.7W514 L518 F532 S533 R534 L543 A544W514-L536 HydrophobicContact CB-CD2 3.55Å; W514-L536 HydrophobicContact CD2-CD2 3.32Å; W514-L536 HydrophobicContact CE3-CD2 3.46Å; W514-L536 VanDerWaalsContact CE3-CD2 3.46Å; W514-L536 HydrophobicContact CE3-CG 4.43Å; W514-L536 HydrophobicContact CG-CD2 3.39Å; W514-L536 HydrophobicContact CZ3-CD2 4.21Å; L518-L536 HydrophobicContact CD1-CD1 3.84Å; F532-L536 HydrophobicContact CD1-CD1 3.7Å; F532-L536 HydrophobicContact CE1-CD1 3.72Å; F532-L536 HydrophobicContact CG-CD1 4.31Å; F532-L536 HydrophobicContact CZ-CD1 4.35Å; F532-L536 WeakPolarHBondContact O-CD1 3.3Å; F532-L536 PolarHBondContact O-N 3.17Å; F532-L536 VanDerWaalsContact O-N 3.14Å; S533-L536 WeakPolarHBondContact O-CB 3.41Å; S533-L536 PolarHBondContact O-N 3.08Å; R534-L536 PolarHBondContact O-N 2.96Å; L536-L543 HydrophobicContact CD2-CB 4.14Å; L536-L543 PolarHBondContact O-N 3.01Å; L536-L543 VanDerWaalsContact O-N 3.12Å; L536-A544 HydrophobicContact CD2-CB 4.17Å
537V71.6Confident70.5Confident23 Ų2364.8 Ų64.814%0.13932%0.32CS..Hα-helixtrans-114.5-7-171.3-174.30000112.8R534 M535 D539 I546 I549 F565 A569R534-V537 PolarHBondContact O-N 3.38Å; M535-V537 VanDerWaalsContact C-N 3.3Å; M535-V537 PolarHBondContact O-N 3.22Å; V537-D539 PolarHBondContact O-N 3.09Å; V537-I546 HydrophobicContact CG1-CD1 4.19Å; V537-I546 HydrophobicContact CG1-CG1 4.45Å; V537-I546 HydrophobicContact CG2-CG1 4.44Å; V537-I549 HydrophobicContact CG2-CD1 4.33Å; V537-F565 HydrophobicContact CG2-CE2 4Å; V537-F565 HydrophobicContact CG2-CZ 3.9Å; V537-A569 HydrophobicContact CG1-CB 3.88Å
538Q66.4Low70.5Confident153 Ų15362.2 Ų62.272%0.71531%0.308SS*.SBendtrans-69.5-19.8-174.7-98.1179.3-15.100116.1R534R534-Q538 WeakPolarHBondContact O-CG 3.44Å; R534-Q538 PolarHBondContact O-N 3.1Å
539D59.8Low70.6Confident78 Ų7858.3 Ų58.342%0.41729%0.29SS..SBendtrans-91.2160-179.6-81.416.8000112.3K506 V537 E541K506-D539 WeakPolarHBondContact CE-OD2 3.49Å; K506-D539 IonicContact NZ-OD1 2.9Å; K506-D539 PolarHBondContact NZ-OD1 3.47Å; K506-D539 IonicContact NZ-OD2 3.28Å; K506-D539 PolarHBondContact NZ-OD2 3.16Å; V537-D539 PolarHBondContact O-N 3.09Å; D539-E541 PolarHBondContact O-N 2.84Å; D539-E541 VanDerWaalsContact O-N 3.15Å
540E52.7Low70.5Confident179 Ų17958.3 Ų58.384%0.83629%0.29SS*.SBendtrans-55.7-32.8-177-72.4-169.1157.700113.7R574E540-R574 PolarHBondContact O-NH2 3.06Å
541E56.3Low70.5Confident166 Ų16660.9 Ų60.978%0.77630%0.304SS*.SBendtrans-103.9112.7169.1-67.1-172165.300110.5D539 L543D539-E541 PolarHBondContact O-N 2.84Å; D539-E541 VanDerWaalsContact O-N 3.15Å; E541-L543 PolarHBondContact O-N 3.39Å
542P62.7Low70.6Confident59 Ų5955.9 Ų55.938%0.38328%0.281SS..  trans-67.512718025.1-31.1000110.7A544P542-A544 PolarHBondContact O-N 2.69Å
543L65.8Low70.7Confident57 Ų5755.8 Ų55.830%0.29828%0.28SS..SBendtrans-71.9-17.8-175.2-67.8165.9000113W514 L536 E541W514-L543 HydrophobicContact CZ2-CD1 4.22Å; W514-L543 PolarHBondContact NE1-O 3.47Å; L536-L543 HydrophobicContact CD2-CB 4.14Å; L536-L543 PolarHBondContact O-N 3.01Å; L536-L543 VanDerWaalsContact O-N 3.12Å; E541-L543 PolarHBondContact O-N 3.39Å
544A68.1Low70.5Confident13 Ų1358.5 Ų58.511%0.10729%0.294CS..SBendtrans-144.215417900000111.4W514 I515 L536 P542 I546 I549W514-A544 HydrophobicContact CB-CB 3.84Å; W514-A544 HydrophobicContact CG-CB 4.38Å; I515-A544 HydrophobicContact CD1-CB 4.13Å; L536-A544 HydrophobicContact CD2-CB 4.17Å; P542-A544 PolarHBondContact O-N 2.69Å; A544-I546 PolarHBondContact O-N 3.21Å; A544-I549 HydrophobicContact CB-CD1 4.04Å
545N73.1Confident70.5Confident90 Ų9059.6 Ų59.648%0.48130%0.303SS..  trans-71.8121.8-179.5-168.6-26.9000110.5S547 Q548 I549N545-S547 VanDerWaalsContact C-N 3.27Å; N545-S547 PolarHBondContact ND2-OG 3.46Å; N545-S547 PolarHBondContact O-N 2.95Å; N545-S547 PolarHBondContact OD1-N 3.23Å; N545-S547 VanDerWaalsContact OD1-N 3.13Å; N545-S547 PolarHBondContact OD1-OG 2.86Å; N545-Q548 HydrophobicContact CB-CG 4.33Å; N545-Q548 PolarHBondContact O-N 3.13Å; N545-I549 PolarHBondContact O-N 3.28Å
546I72.6Confident70.4Confident10 Ų1060.7 Ų60.75%0.05131%0.309CS..Hα-helixtrans-58.4-39.9-176.8-59.5171.4000110.9V537 A544 Q548 I549 V550 F565 L566 L580V537-I546 HydrophobicContact CG1-CD1 4.19Å; V537-I546 HydrophobicContact CG1-CG1 4.45Å; V537-I546 HydrophobicContact CG2-CG1 4.44Å; A544-I546 PolarHBondContact O-N 3.21Å; I546-Q548 VanDerWaalsContact C-N 3.35Å; I546-Q548 PolarHBondContact O-N 2.98Å; I546-I549 PolarHBondContact O-N 2.63Å; I546-I549 VanDerWaalsContact O-N 3.17Å; I546-V550 HydrophobicContact CG2-CG2 4.16Å; I546-V550 WeakPolarHBondContact O-CG2 3.36Å; I546-V550 PolarHBondContact O-N 2.92Å; I546-F565 HydrophobicContact CG2-CE1 4.32Å; I546-L566 HydrophobicContact CG2-CD2 4.02Å; I546-L580 HydrophobicContact CB-CD1 3.97Å; I546-L580 HydrophobicContact CG2-CD1 3.85Å
547S72.1Confident70.5Confident39 Ų3965.3 Ų65.327%0.27334%0.342SS..Hα-helixtrans-55.5-46.8178.356.10000112.9N545 I549 V550 D551N545-S547 VanDerWaalsContact C-N 3.27Å; N545-S547 PolarHBondContact ND2-OG 3.46Å; N545-S547 PolarHBondContact O-N 2.95Å; N545-S547 PolarHBondContact OD1-N 3.23Å; N545-S547 VanDerWaalsContact OD1-N 3.13Å; N545-S547 PolarHBondContact OD1-OG 2.86Å; S547-I549 VanDerWaalsContact C-N 3.34Å; S547-I549 PolarHBondContact O-N 3.42Å; S547-V550 PolarHBondContact O-N 3.39Å; S547-D551 VanDerWaalsContact O-CG 3.32Å; S547-D551 PolarHBondContact O-N 3.43Å
548Q74.5Confident70.8Confident93 Ų9366 Ų6644%0.43534%0.344SS..Hα-helixtrans-68-32.8-179.9-65.9177.3-25.100112.7I515 N545 I546 V550 I552I515-Q548 HydrophobicContact CD1-CB 3.75Å; I515-Q548 HydrophobicContact CG1-CB 4.27Å; N545-Q548 HydrophobicContact CB-CG 4.33Å; N545-Q548 PolarHBondContact O-N 3.13Å; I546-Q548 VanDerWaalsContact C-N 3.35Å; I546-Q548 PolarHBondContact O-N 2.98Å; Q548-V550 VanDerWaalsContact C-N 3.35Å; Q548-I552 WeakPolarHBondContact O-CD1 3.44Å; Q548-I552 VanDerWaalsContact O-CG1 3.28Å; Q548-I552 WeakPolarHBondContact O-CG1 3.4Å; Q548-I552 PolarHBondContact O-N 3.07Å
549I76.9Confident71.1Confident0 Ų061.4 Ų61.40%032%0.324CS..Hα-helixtrans-66.3-42174.5-63.2173000110I515 L518 V537 A544 N545 I546 S547 I552 F553 F565I515-I549 HydrophobicContact CD1-CG1 3.9Å; L518-I549 HydrophobicContact CD1-CG1 4.21Å; L518-I549 HydrophobicContact CD1-CG2 3.94Å; L518-I549 HydrophobicContact CD2-CG2 4.38Å; V537-I549 HydrophobicContact CG2-CD1 4.33Å; A544-I549 HydrophobicContact CB-CD1 4.04Å; N545-I549 PolarHBondContact O-N 3.28Å; I546-I549 PolarHBondContact O-N 2.63Å; I546-I549 VanDerWaalsContact O-N 3.17Å; S547-I549 VanDerWaalsContact C-N 3.34Å; S547-I549 PolarHBondContact O-N 3.42Å; I549-I552 PolarHBondContact O-N 3.05Å; I549-F553 HydrophobicContact CG2-CD2 3.91Å; I549-F553 HydrophobicContact CG2-CE2 3.66Å; I549-F553 VanDerWaalsContact O-CD2 3.24Å; I549-F553 WeakPolarHBondContact O-CD2 3.43Å; I549-F553 PolarHBondContact O-N 2.93Å; I549-F553 VanDerWaalsContact O-N 3.14Å; I549-F565 HydrophobicContact CB-CE1 4.1Å; I549-F565 HydrophobicContact CB-CZ 4.24Å; I549-F565 HydrophobicContact CD1-CZ 4.07Å; I549-F565 HydrophobicContact CG2-CD1 4.19Å; I549-F565 HydrophobicContact CG2-CE1 3.5Å; I549-F565 VanDerWaalsContact CG2-CE1 3.5Å; I549-F565 HydrophobicContact CG2-CE2 4.41Å; I549-F565 HydrophobicContact CG2-CZ 3.63Å
550V74.3Confident71.8Confident1 Ų165.9 Ų65.91%0.00634%0.343CS..Hα-helixtrans-68-41.3-179.7-174.80000110.7I546 S547 Q548 I552 F553 M554 C562 F565 L566 W583I546-V550 HydrophobicContact CG2-CG2 4.16Å; I546-V550 WeakPolarHBondContact O-CG2 3.36Å; I546-V550 PolarHBondContact O-N 2.92Å; S547-V550 PolarHBondContact O-N 3.39Å; Q548-V550 VanDerWaalsContact C-N 3.35Å; V550-I552 PolarHBondContact O-N 2.87Å; V550-F553 PolarHBondContact O-N 2.82Å; V550-F553 VanDerWaalsContact O-N 3.08Å; V550-M554 HydrophobicContact CG1-CG 4.44Å; V550-M554 WeakPolarHBondContact O-CG 3.34Å; V550-M554 PolarHBondContact O-N 3.16Å; V550-C562 VanDerWaalsContact CG1-SG 3.51Å; V550-F565 HydrophobicContact CG2-CE1 4.23Å; V550-L566 HydrophobicContact CG1-CD1 3.84Å; V550-L566 HydrophobicContact CG2-CD1 3.96Å; V550-L566 HydrophobicContact CG2-CD2 3.47Å; V550-L566 VanDerWaalsContact CG2-CD2 3.47Å; V550-L566 HydrophobicContact CG2-CG 3.83Å; V550-W583 HydrophobicContact CB-CZ3 3.78Å; V550-W583 HydrophobicContact CG1-CE3 3.72Å; V550-W583 HydrophobicContact CG1-CH2 3.73Å; V550-W583 HydrophobicContact CG1-CZ3 3.02Å
551D78.6Confident72.9Confident76 Ų7659.5 Ų59.541%0.40631%0.313SS..Hα-helixtrans-54.7-40.6172.1-68.1-25.2000111.5S547 M554 E555S547-D551 VanDerWaalsContact O-CG 3.32Å; S547-D551 PolarHBondContact O-N 3.43Å; D551-M554 PolarHBondContact O-N 3.05Å; D551-E555 WeakPolarHBondContact O-CB 3.36Å; D551-E555 VanDerWaalsContact O-CG 3.27Å; D551-E555 WeakPolarHBondContact O-CG 3.42Å; D551-E555 PolarHBondContact O-N 3.41Å
552I78.9Confident74Confident1 Ų151.6 Ų51.61%0.00528%0.276CS..Hα-helixtrans-68.6-36.1177.6-64.9162.4000112.5I515 L518 R519 M522 Q548 I549 V550 M554 N556I515-I552 HydrophobicContact CG2-CD1 3.6Å; L518-I552 HydrophobicContact CD2-CB 3.97Å; L518-I552 HydrophobicContact CD2-CD1 3.7Å; L518-I552 HydrophobicContact CD2-CG1 4.45Å; L518-I552 HydrophobicContact CD2-CG2 3.67Å; R519-I552 HydrophobicContact CG-CB 4.5Å; R519-I552 HydrophobicContact CG-CD1 3.57Å; R519-I552 HydrophobicContact CG-CG1 3.72Å; R519-I552 HydrophobicContact CG-CG2 3.9Å; M522-I552 HydrophobicContact CB-CG2 4.42Å; M522-I552 HydrophobicContact CG-CG2 4.03Å; Q548-I552 WeakPolarHBondContact O-CD1 3.44Å; Q548-I552 VanDerWaalsContact O-CG1 3.28Å; Q548-I552 WeakPolarHBondContact O-CG1 3.4Å; Q548-I552 PolarHBondContact O-N 3.07Å; I549-I552 PolarHBondContact O-N 3.05Å; V550-I552 PolarHBondContact O-N 2.87Å; I552-M554 VanDerWaalsContact C-N 3.33Å; I552-N556 PolarHBondContact O-N 2.89Å; I552-N556 PolarHBondContact O-ND2 3.11Å
553F78.5Confident74.6Confident0 Ų049.2 Ų49.20%026%0.26CS..Hα-helixtrans-66.4-38.2173.1-82.4-75.8000111.5M522 L530 I549 V550 N556 S557 L558 Q561 C562 F565M522-F553 HydrophobicContact CE-CD1 3.91Å; M522-F553 HydrophobicContact CE-CD2 4.26Å; M522-F553 HydrophobicContact CE-CE1 3.27Å; M522-F553 HydrophobicContact CE-CE2 3.67Å; M522-F553 HydrophobicContact CE-CG 4.38Å; M522-F553 HydrophobicContact CE-CZ 3.15Å; M522-F553 HydrophobicContact SD-CD1 4.38Å; M522-F553 HydrophobicContact SD-CE1 4.01Å; M522-F553 HydrophobicContact SD-CZ 4.44Å; L530-F553 HydrophobicContact CD1-CZ 4.16Å; I549-F553 HydrophobicContact CG2-CD2 3.91Å; I549-F553 HydrophobicContact CG2-CE2 3.66Å; I549-F553 VanDerWaalsContact O-CD2 3.24Å; I549-F553 WeakPolarHBondContact O-CD2 3.43Å; I549-F553 PolarHBondContact O-N 2.93Å; I549-F553 VanDerWaalsContact O-N 3.14Å; V550-F553 PolarHBondContact O-N 2.82Å; V550-F553 VanDerWaalsContact O-N 3.08Å; F553-N556 PolarHBondContact O-N 2.84Å; F553-S557 PolarHBondContact O-N 3.03Å; F553-L558 HydrophobicContact CD1-CB 4.08Å; F553-L558 HydrophobicContact CD1-CD1 4.32Å; F553-L558 PolarHBondContact O-N 3.07Å; F553-Q561 HydrophobicContact CD1-CB 4.39Å; F553-Q561 HydrophobicContact CE1-CB 4.06Å; F553-C562 HydrophobicContact CB-CB 3.71Å; F553-C562 VanDerWaalsContact CB-SG 3.57Å; F553-C562 HydrophobicContact CD1-CB 4.44Å; F553-C562 HydrophobicContact CG-CB 4.12Å; F553-F565 HydrophobicContact CD2-CD1 4.25Å; F553-F565 HydrophobicContact CE2-CB 4.11Å; F553-F565 AromaticContact CE2-CD1 3.82Å; F553-F565 HydrophobicContact CE2-CD1 3.82Å; F553-F565 HydrophobicContact CE2-CE1 4.41Å; F553-F565 AromaticContact CE2-CG 3.87Å; F553-F565 HydrophobicContact CE2-CG 3.87Å; F553-F565 HydrophobicContact CZ-CB 4.19Å; F553-F565 HydrophobicContact CZ-CG 4.34Å
554M73.8Confident75.2Confident57 Ų5748.2 Ų48.228%0.28126%0.258SS..Hα-helixtrans-71.7-40.4178.3-66.5-60-7800112.4V550 D551 I552 N556 S557 W583 M587V550-M554 HydrophobicContact CG1-CG 4.44Å; V550-M554 WeakPolarHBondContact O-CG 3.34Å; V550-M554 PolarHBondContact O-N 3.16Å; D551-M554 PolarHBondContact O-N 3.05Å; I552-M554 VanDerWaalsContact C-N 3.33Å; M554-N556 PolarHBondContact O-N 2.86Å; M554-N556 VanDerWaalsContact O-N 3.16Å; M554-S557 PolarHBondContact O-N 3.26Å; M554-W583 HydrophobicContact CB-CH2 4.5Å; M554-W583 HydrophobicContact CE-CZ2 4.29Å; M554-W583 HydrophobicContact CG-CH2 3.66Å; M554-W583 HydrophobicContact CG-CZ2 4.07Å; M554-M587 HydrophobicContact CE-CG 4.22Å; M554-M587 HydrophobicContact CE-SD 3.77Å; M554-M587 HydrophobicContact SD-SD 3.56Å
555E77.1Confident75.8Confident113 Ų11347.6 Ų47.653%0.52825%0.253SS..Hα-helixtrans-53-34171.4-79.8173.8-176.100111.5R519 D551R519-E555 IonicContact CZ-OE1 2.61Å; R519-E555 IonicContact CZ-OE2 3.92Å; R519-E555 IonicContact NE-OE2 2.76Å; R519-E555 PolarHBondContact NE-OE2 3.48Å; R519-E555 IonicContact NH2-OE1 3.33Å; R519-E555 PolarHBondContact NH2-OE1 3.18Å; R519-E555 IonicContact NH2-OE2 2.87Å; R519-E555 PolarHBondContact NH2-OE2 3.19Å; D551-E555 WeakPolarHBondContact O-CB 3.36Å; D551-E555 VanDerWaalsContact O-CG 3.27Å; D551-E555 WeakPolarHBondContact O-CG 3.42Å; D551-E555 PolarHBondContact O-N 3.41Å
556N70.3Confident75.9Confident65 Ų6543.4 Ų43.435%0.34823%0.23SC..THydrogen-bonded Turntrans-96.97.4-180-66-55.1000114.2I552 F553 M554 L558I552-N556 PolarHBondContact O-N 2.89Å; I552-N556 PolarHBondContact O-ND2 3.11Å; F553-N556 PolarHBondContact O-N 2.84Å; M554-N556 PolarHBondContact O-N 2.86Å; M554-N556 VanDerWaalsContact O-N 3.16Å; N556-L558 HydrophobicContact CB-CD1 3.99Å; N556-L558 HydrophobicContact CB-CG 4.05Å; N556-L558 PolarHBondContact O-N 2.8Å
557S76.3Confident76Confident98 Ų9845 Ų4569%0.68524%0.239SC*.THydrogen-bonded Turntrans58.724.3-177.6-47.80000115.4F553 M554 I559F553-S557 PolarHBondContact O-N 3.03Å; M554-S557 PolarHBondContact O-N 3.26Å; S557-I559 VanDerWaalsContact C-N 3.32Å; S557-I559 PolarHBondContact O-N 3.18Å; S557-I559 VanDerWaalsContact O-N 3.11Å
558L77.4Confident76Confident38 Ų3845.6 Ų45.620%0.19924%0.239CC..  trans-89.456.5-174.8-66.9172.6000112.6M522 P526 F553 N556 Q560 Q561 C562M522-L558 HydrophobicContact SD-CD1 4.39Å; P526-L558 HydrophobicContact CB-CD1 3.85Å; P526-L558 HydrophobicContact CB-CD2 4.33Å; P526-L558 HydrophobicContact CG-CD1 4.36Å; F553-L558 HydrophobicContact CD1-CB 4.08Å; F553-L558 HydrophobicContact CD1-CD1 4.32Å; F553-L558 PolarHBondContact O-N 3.07Å; N556-L558 HydrophobicContact CB-CD1 3.99Å; N556-L558 HydrophobicContact CB-CG 4.05Å; N556-L558 PolarHBondContact O-N 2.8Å; L558-Q560 PolarHBondContact O-N 3.22Å; L558-Q561 HydrophobicContact CB-CB 4.44Å; L558-Q561 PolarHBondContact O-N 3.43Å; L558-C562 VanDerWaalsContact O-CB 3.25Å; L558-C562 WeakPolarHBondContact O-CB 3.31Å; L558-C562 PolarHBondContact O-N 3.05Å
559I73.6Confident75.6Confident56 Ų5641.7 Ų41.729%0.28722%0.222SC..Hα-helixtrans-58.4-44.2-170.5-58.9173.8000112.6S557 Q561 C562 T563 M587S557-I559 VanDerWaalsContact C-N 3.32Å; S557-I559 PolarHBondContact O-N 3.18Å; S557-I559 VanDerWaalsContact O-N 3.11Å; I559-Q561 PolarHBondContact O-N 3.16Å; I559-C562 WeakPolarHBondContact O-CB 3.33Å; I559-C562 PolarHBondContact O-N 3.43Å; I559-T563 PolarHBondContact O-N 3.41Å; I559-T563 PolarHBondContact O-OG1 3.48Å; I559-M587 HydrophobicContact CG2-CE 3.69Å; I559-M587 HydrophobicContact CG2-CG 4.41Å; I559-M587 HydrophobicContact CG2-SD 3.88Å
560Q74.6Confident75.2Confident173 Ų17341.7 Ų41.781%0.80822%0.222SC*.Hα-helixtrans-68.1-37.3-178.5-67.6-178.9-3.400113.1L558 S564L558-Q560 PolarHBondContact O-N 3.22Å; Q560-S564 PolarHBondContact O-N 3.31Å; Q560-S564 VanDerWaalsContact O-N 3.08Å
561Q76.6Confident75Confident44 Ų4448.2 Ų48.221%0.20625%0.251CS..Hα-helixtrans-74.7-34.3176.5-63.1-168.6-7.600111.2P526 L530 F553 L558 I559 S564 F565P526-Q561 PolarHBondContact O-OE1 3.28Å; L530-Q561 HydrophobicContact CD1-CB 4.43Å; L530-Q561 WeakPolarHBondContact CD1-O 3.43Å; F553-Q561 HydrophobicContact CD1-CB 4.39Å; F553-Q561 HydrophobicContact CE1-CB 4.06Å; L558-Q561 HydrophobicContact CB-CB 4.44Å; L558-Q561 PolarHBondContact O-N 3.43Å; I559-Q561 PolarHBondContact O-N 3.16Å; Q561-S564 PolarHBondContact O-N 3.07Å; Q561-S564 PolarHBondContact O-OG 2.69Å; Q561-F565 WeakPolarHBondContact O-CB 3.47Å; Q561-F565 PolarHBondContact O-N 3.22Å
562C77.4Confident74.2Confident0 Ų050.3 Ų50.30%026%0.262CS..Hα-helixtrans-61-46.5171.5-163.50000111.8V550 F553 L558 I559 F565 L566V550-C562 VanDerWaalsContact CG1-SG 3.51Å; F553-C562 HydrophobicContact CB-CB 3.71Å; F553-C562 VanDerWaalsContact CB-SG 3.57Å; F553-C562 HydrophobicContact CD1-CB 4.44Å; F553-C562 HydrophobicContact CG-CB 4.12Å; L558-C562 VanDerWaalsContact O-CB 3.25Å; L558-C562 WeakPolarHBondContact O-CB 3.31Å; L558-C562 PolarHBondContact O-N 3.05Å; I559-C562 WeakPolarHBondContact O-CB 3.33Å; I559-C562 PolarHBondContact O-N 3.43Å; C562-F565 PolarHBondContact O-N 3.48Å; C562-L566 WeakPolarHBondContact O-CB 3.4Å; C562-L566 WeakPolarHBondContact O-CG 3.38Å; C562-L566 PolarHBondContact O-N 2.83Å
563T76.5Confident73.5Confident10 Ų1052.1 Ų52.16%0.06127%0.272CS..Hα-helixtrans-61.5-45.9175.5-60.80000110.7I559 F565 L566 L567 L584 M587 N588 V595 I599I559-T563 PolarHBondContact O-N 3.41Å; I559-T563 PolarHBondContact O-OG1 3.48Å; T563-F565 PolarHBondContact O-N 2.89Å; T563-L566 PolarHBondContact O-N 2.92Å; T563-L567 HydrophobicContact CG2-CD1 4.01Å; T563-L567 HydrophobicContact CG2-CG 4.29Å; T563-L567 VanDerWaalsContact O-CB 3.31Å; T563-L567 WeakPolarHBondContact O-CB 3.19Å; T563-L567 WeakPolarHBondContact O-CG 3.39Å; T563-L567 PolarHBondContact O-N 2.83Å; T563-L584 HydrophobicContact CG2-CD1 4.22Å; T563-M587 WeakPolarHBondContact OG1-CE 3.39Å; T563-N588 PolarHBondContact OG1-OD1 3.12Å; T563-V595 HydrophobicContact CG2-CG1 4.3Å; T563-I599 HydrophobicContact CG2-CD1 4.28Å
564S78.8Confident73Confident35 Ų3556.4 Ų56.425%0.24529%0.288CS..Hα-helixtrans-66.7-35.9178.871.80000113.3Q560 Q561 D568Q560-S564 PolarHBondContact O-N 3.31Å; Q560-S564 VanDerWaalsContact O-N 3.08Å; Q561-S564 PolarHBondContact O-N 3.07Å; Q561-S564 PolarHBondContact O-OG 2.69Å; S564-D568 PolarHBondContact O-N 2.84Å
565F78.9Confident72.5Confident1 Ų158.4 Ų58.40%0.00431%0.305CS..Hα-helixtrans-63.5-51.2172.4168.9-109.1000111.9L530 S533 V537 I546 I549 V550 F553 Q561 C562 T563 L567 D568 A569L530-F565 HydrophobicContact CD1-CB 3.75Å; S533-F565 WeakPolarHBondContact O-CE2 3.19Å; S533-F565 WeakPolarHBondContact OG-CD2 3.39Å; V537-F565 HydrophobicContact CG2-CE2 4Å; V537-F565 HydrophobicContact CG2-CZ 3.9Å; I546-F565 HydrophobicContact CG2-CE1 4.32Å; I549-F565 HydrophobicContact CB-CE1 4.1Å; I549-F565 HydrophobicContact CB-CZ 4.24Å; I549-F565 HydrophobicContact CD1-CZ 4.07Å; I549-F565 HydrophobicContact CG2-CD1 4.19Å; I549-F565 HydrophobicContact CG2-CE1 3.5Å; I549-F565 VanDerWaalsContact CG2-CE1 3.5Å; I549-F565 HydrophobicContact CG2-CE2 4.41Å; I549-F565 HydrophobicContact CG2-CZ 3.63Å; V550-F565 HydrophobicContact CG2-CE1 4.23Å; F553-F565 HydrophobicContact CD2-CD1 4.25Å; F553-F565 HydrophobicContact CE2-CB 4.11Å; F553-F565 AromaticContact CE2-CD1 3.82Å; F553-F565 HydrophobicContact CE2-CD1 3.82Å; F553-F565 HydrophobicContact CE2-CE1 4.41Å; F553-F565 AromaticContact CE2-CG 3.87Å; F553-F565 HydrophobicContact CE2-CG 3.87Å; F553-F565 HydrophobicContact CZ-CB 4.19Å; F553-F565 HydrophobicContact CZ-CG 4.34Å; Q561-F565 WeakPolarHBondContact O-CB 3.47Å; Q561-F565 PolarHBondContact O-N 3.22Å; C562-F565 PolarHBondContact O-N 3.48Å; T563-F565 PolarHBondContact O-N 2.89Å; F565-L567 VanDerWaalsContact C-N 3.32Å; F565-L567 PolarHBondContact O-N 3.01Å; F565-D568 PolarHBondContact O-N 2.9Å; F565-D568 VanDerWaalsContact O-N 3.08Å; F565-A569 HydrophobicContact CE2-CB 4.32Å; F565-A569 HydrophobicContact CZ-CB 4.22Å; F565-A569 WeakPolarHBondContact O-CB 3.38Å; F565-A569 PolarHBondContact O-N 3.23Å
566L75.6Confident71.7Confident2 Ų257.8 Ų57.81%0.0132%0.319CS..Hα-helixtrans-63.7-37.1179.8-81.5173000112.2I546 V550 C562 T563 D568 A569 L570 L584I546-L566 HydrophobicContact CG2-CD2 4.02Å; V550-L566 HydrophobicContact CG1-CD1 3.84Å; V550-L566 HydrophobicContact CG2-CD1 3.96Å; V550-L566 HydrophobicContact CG2-CD2 3.47Å; V550-L566 VanDerWaalsContact CG2-CD2 3.47Å; V550-L566 HydrophobicContact CG2-CG 3.83Å; C562-L566 WeakPolarHBondContact O-CB 3.4Å; C562-L566 WeakPolarHBondContact O-CG 3.38Å; C562-L566 PolarHBondContact O-N 2.83Å; T563-L566 PolarHBondContact O-N 2.92Å; L566-D568 VanDerWaalsContact C-N 3.26Å; L566-D568 PolarHBondContact O-N 3.08Å; L566-A569 PolarHBondContact O-N 3.4Å; L566-L570 HydrophobicContact CB-CD1 4.34Å; L566-L570 HydrophobicContact CD2-CD1 4.03Å; L566-L570 HydrophobicContact CD2-CG 4.34Å; L566-L570 WeakPolarHBondContact O-CB 3.5Å; L566-L570 VanDerWaalsContact O-CG 3.31Å; L566-L570 WeakPolarHBondContact O-CG 3.45Å; L566-L570 PolarHBondContact O-N 3.21Å; L566-L584 HydrophobicContact CB-CD1 3.8Å; L566-L584 HydrophobicContact CB-CD2 4.19Å; L566-L584 HydrophobicContact CD1-CB 4.25Å; L566-L584 HydrophobicContact CD1-CD1 3.66Å; L566-L584 HydrophobicContact CD1-CG 4.46Å; L566-L584 HydrophobicContact CG-CD1 4.39Å
567L75.2Confident71.5Confident43 Ų4355.7 Ų55.723%0.22531%0.307CS..Hα-helixtrans-63.5-31.1173.1-74.8179.8000112.9T563 F565 K571 L584 I599 M604 F605T563-L567 HydrophobicContact CG2-CD1 4.01Å; T563-L567 HydrophobicContact CG2-CG 4.29Å; T563-L567 VanDerWaalsContact O-CB 3.31Å; T563-L567 WeakPolarHBondContact O-CB 3.19Å; T563-L567 WeakPolarHBondContact O-CG 3.39Å; T563-L567 PolarHBondContact O-N 2.83Å; F565-L567 VanDerWaalsContact C-N 3.32Å; F565-L567 PolarHBondContact O-N 3.01Å; L567-K571 WeakPolarHBondContact O-CG 3.08Å; L567-L584 HydrophobicContact CD2-CD2 4.25Å; L567-I599 HydrophobicContact CD1-CD1 4.41Å; L567-I599 HydrophobicContact CD2-CD1 4.04Å; L567-I599 HydrophobicContact CD2-CG1 4.08Å; L567-M604 HydrophobicContact CD2-CE 3.29Å; L567-M604 HydrophobicContact CD2-SD 4.27Å; L567-M604 HydrophobicContact CG-CE 4.47Å; L567-F605 HydrophobicContact CD2-CE2 3.89Å; L567-F605 HydrophobicContact CD2-CZ 3.88Å
568D71.3Confident71.1Confident51 Ų5151.4 Ų51.427%0.27328%0.279SS..Hα-helixtrans-81.9-38.9174.5-75-33.5000113R534 S564 F565 L566 K571R534-D568 IonicContact CZ-OD2 2.72Å; R534-D568 IonicContact NE-OD2 3.37Å; R534-D568 PolarHBondContact NE-OD2 2.96Å; R534-D568 IonicContact NH2-OD2 3.23Å; R534-D568 PolarHBondContact NH2-OD2 2.81Å; S564-D568 PolarHBondContact O-N 2.84Å; F565-D568 PolarHBondContact O-N 2.9Å; F565-D568 VanDerWaalsContact O-N 3.08Å; L566-D568 VanDerWaalsContact C-N 3.26Å; L566-D568 PolarHBondContact O-N 3.08Å; D568-K571 WeakPolarHBondContact O-CG 3.41Å; D568-K571 WeakPolarHBondContact OD1-CE 3.43Å; D568-K571 IonicContact OD1-NZ 3.93Å; D568-K571 PolarHBondContact OD1-NZ 2.82Å
569A67.1Low70.7Confident11 Ų1156.9 Ų56.99%0.09131%0.307CS..Hα-helixtrans-71.6-40.4-178.500000112.4V537 F565 L566 K571V537-A569 HydrophobicContact CG1-CB 3.88Å; F565-A569 HydrophobicContact CE2-CB 4.32Å; F565-A569 HydrophobicContact CZ-CB 4.22Å; F565-A569 WeakPolarHBondContact O-CB 3.38Å; F565-A569 PolarHBondContact O-N 3.23Å; L566-A569 PolarHBondContact O-N 3.4Å; A569-K571 VanDerWaalsContact C-N 3.31Å; A569-K571 PolarHBondContact O-N 2.85Å
570L69.4Low70.6Confident0 Ų055.4 Ų55.40%030%0.3CS..G310 helixtrans-87.97-176.2-61.6171.9000113.2L566 N572 N573 E577 Q581 L584 F605L566-L570 HydrophobicContact CB-CD1 4.34Å; L566-L570 HydrophobicContact CD2-CD1 4.03Å; L566-L570 HydrophobicContact CD2-CG 4.34Å; L566-L570 WeakPolarHBondContact O-CB 3.5Å; L566-L570 VanDerWaalsContact O-CG 3.31Å; L566-L570 WeakPolarHBondContact O-CG 3.45Å; L566-L570 PolarHBondContact O-N 3.21Å; L570-N572 PolarHBondContact O-N 2.99Å; L570-N573 PolarHBondContact O-N 2.87Å; L570-E577 HydrophobicContact CD2-CB 3.69Å; L570-E577 HydrophobicContact CD2-CG 4.08Å; L570-E577 VanDerWaalsContact CD2-OE2 3.28Å; L570-E577 WeakPolarHBondContact CD2-OE2 3.38Å; L570-Q581 HydrophobicContact CD1-CG 4.16Å; L570-L584 HydrophobicContact CD1-CD2 4.18Å; L570-F605 HydrophobicContact CB-CD1 4.06Å; L570-F605 HydrophobicContact CB-CE1 3.25Å; L570-F605 HydrophobicContact CB-CZ 3.8Å; L570-F605 HydrophobicContact CD1-CE1 4.19Å; L570-F605 HydrophobicContact CD1-CZ 4.24Å; L570-F605 HydrophobicContact CG-CE1 4.36Å; L570-F605 WeakPolarHBondContact O-CE1 3.42Å
571K68.2Low70.5Confident139 Ų13947.1 Ų47.160%0.60426%0.261SS*.G310 helixtrans-52.4-30.1-179-75.4-177.9173.1161.60113.9L567 D568 A569 N573L567-K571 WeakPolarHBondContact O-CG 3.08Å; D568-K571 WeakPolarHBondContact O-CG 3.41Å; D568-K571 WeakPolarHBondContact OD1-CE 3.43Å; D568-K571 IonicContact OD1-NZ 3.93Å; D568-K571 PolarHBondContact OD1-NZ 2.82Å; A569-K571 VanDerWaalsContact C-N 3.31Å; A569-K571 PolarHBondContact O-N 2.85Å; K571-N573 VanDerWaalsContact C-N 3.32Å
572N62.5Low70.6Confident119 Ų11945.9 Ų45.964%0.63626%0.257SS*.G310 helixtrans-85-2.2-178.3-63.5-26000113.7L570 R574L570-N572 PolarHBondContact O-N 2.99Å; N572-R574 HydrophobicContact CB-CG 4.47Å; N572-R574 PolarHBondContact O-N 3Å
573N64.9Low70.3Confident40 Ų4049.7 Ų49.721%0.21427%0.271CS..  trans46.855.7170.8-169.525.7000114.5L570 K571 Q581 T606L570-N573 PolarHBondContact O-N 2.87Å; K571-N573 VanDerWaalsContact C-N 3.32Å; N573-Q581 PolarHBondContact OD1-NE2 3.29Å; N573-T606 WeakPolarHBondContact ND2-CG2 3.14Å; N573-T606 PolarHBondContact ND2-OG1 3.46Å; N573-T606 PolarHBondContact OD1-N 3.32Å; N573-T606 VanDerWaalsContact OD1-N 3.09Å; N573-T606 PolarHBondContact OD1-OG1 3.03Å
574R67.8Low70.3Confident90 Ų9049.2 Ų49.234%0.3427%0.268SS..  trans-81.6144.2-176.1-62.9174.4174.6179.4-4.3111.7E540 N572 A576 E577E540-R574 PolarHBondContact O-NH2 3.06Å; N572-R574 HydrophobicContact CB-CG 4.47Å; N572-R574 PolarHBondContact O-N 3Å; R574-A576 VanDerWaalsContact C-N 3.29Å; R574-A576 PolarHBondContact O-N 3.46Å; R574-E577 HydrophobicContact CB-CG 4.35Å; R574-E577 PolarHBondContact O-N 3.18Å; R574-E577 VanDerWaalsContact O-N 3.15Å
575P62.7Low70Confident98 Ų9847.6 Ų47.664%0.63626%0.257SS*.G310 helixtrans-64.8-28.2-179.922-31.6000114.2E577 G578P575-E577 PolarHBondContact O-N 3.42Å; P575-G578 PolarHBondContact O-N 3.23Å
576A60.9Low70Confident100 Ų10051 Ų5183%0.82627%0.273SS*.G310 helixtrans-66.9-16.3176.800000113.5R574R574-A576 VanDerWaalsContact C-N 3.29Å; R574-A576 PolarHBondContact O-N 3.46Å
577E66.8Low69.9Low22 Ų2251.6 Ų51.610%0.10328%0.275CS..G310 helixtrans-100.18.4-175.2-63.4163.6-179.300112.5L570 R574 P575 L579 L580 Q581L570-E577 HydrophobicContact CD2-CB 3.69Å; L570-E577 HydrophobicContact CD2-CG 4.08Å; L570-E577 VanDerWaalsContact CD2-OE2 3.28Å; L570-E577 WeakPolarHBondContact CD2-OE2 3.38Å; R574-E577 HydrophobicContact CB-CG 4.35Å; R574-E577 PolarHBondContact O-N 3.18Å; R574-E577 VanDerWaalsContact O-N 3.15Å; P575-E577 PolarHBondContact O-N 3.42Å; E577-L579 VanDerWaalsContact C-N 3.29Å; E577-L579 PolarHBondContact O-N 3.49Å; E577-L580 WeakPolarHBondContact O-CA 3.38Å; E577-L580 WeakPolarHBondContact O-CB 3.39Å; E577-L580 PolarHBondContact O-N 3.46Å; E577-Q581 PolarHBondContact O-N 3.29Å
578G67.6Low69.9Low8 Ų849.7 Ų49.78%0.08227%0.266CS..Hα-helixtrans-57.5-34-175.100000115.2P575 Q581 T582 H607P575-G578 PolarHBondContact O-N 3.23Å; G578-Q581 PolarHBondContact O-N 3.42Å; G578-T582 PolarHBondContact O-N 3.05Å; G578-T582 PolarHBondContact O-OG1 3.49Å; G578-H607 VanDerWaalsContact CA-O 3.22Å; G578-H607 WeakPolarHBondContact CA-O 3.38Å
579L69.4Low70Confident152 Ų15248 Ų4880%0.79626%0.256SS*.Hα-helixtrans-65.6-39.8173.3-72.9165.4000112E577 T582 W583E577-L579 VanDerWaalsContact C-N 3.29Å; E577-L579 PolarHBondContact O-N 3.49Å; L579-T582 PolarHBondContact O-N 3.21Å; L579-W583 WeakPolarHBondContact O-CB 3.43Å; L579-W583 PolarHBondContact O-N 3.02Å
580L69.7Low70.4Confident25 Ų2551.9 Ų51.913%0.13128%0.279CS..Hα-helixtrans-70.5-34.9177.8-66168.6000111.6I546 E577 W583 L584I546-L580 HydrophobicContact CB-CD1 3.97Å; I546-L580 HydrophobicContact CG2-CD1 3.85Å; E577-L580 WeakPolarHBondContact O-CA 3.38Å; E577-L580 WeakPolarHBondContact O-CB 3.39Å; E577-L580 PolarHBondContact O-N 3.46Å; L580-W583 PolarHBondContact O-N 3.17Å; L580-L584 WeakPolarHBondContact O-CB 3.2Å; L580-L584 PolarHBondContact O-N 3.33Å
581Q74.1Confident70.4Confident0 Ų058 Ų580%031%0.307CS..Hα-helixtrans-64.2-44.8172.6-65178.71.300111.5L570 N573 E577 G578 W583 L584 L585 F605L570-Q581 HydrophobicContact CD1-CG 4.16Å; N573-Q581 PolarHBondContact OD1-NE2 3.29Å; E577-Q581 PolarHBondContact O-N 3.29Å; G578-Q581 PolarHBondContact O-N 3.42Å; Q581-W583 VanDerWaalsContact C-N 3.31Å; Q581-W583 PolarHBondContact O-N 3.49Å; Q581-L584 PolarHBondContact O-N 2.66Å; Q581-L585 WeakPolarHBondContact O-CG 3.37Å; Q581-L585 PolarHBondContact O-N 2.96Å; Q581-L585 VanDerWaalsContact O-N 3.11Å; Q581-F605 HydrophobicContact CB-CB 4.27Å; Q581-F605 HydrophobicContact CB-CG 4.43Å; Q581-F605 HydrophobicContact CG-CB 4.05Å; Q581-F605 HydrophobicContact CG-CD1 3.98Å; Q581-F605 HydrophobicContact CG-CG 4Å
582T77.5Confident70.5Confident18 Ų1853 Ų5311%0.1129%0.292CS..Hα-helixtrans-60.2-45176.5-50.80000110.3G578 L579 L585 E586 Y608 D609G578-T582 PolarHBondContact O-N 3.05Å; G578-T582 PolarHBondContact O-OG1 3.49Å; L579-T582 PolarHBondContact O-N 3.21Å; T582-L585 PolarHBondContact O-N 3.03Å; T582-E586 WeakPolarHBondContact O-CB 3.35Å; T582-E586 PolarHBondContact O-N 3.47Å; T582-Y608 WeakPolarHBondContact OG1-CA 3.34Å; T582-Y608 VanDerWaalsContact OG1-CB 3.27Å; T582-Y608 WeakPolarHBondContact OG1-CB 3.49Å; T582-D609 HydrophobicContact CG2-CB 3.94Å; T582-D609 PolarHBondContact OG1-N 2.92Å
583W71.5Confident70.8Confident80 Ų8050.1 Ų50.130%0.30328%0.28SS..Hα-helixtrans-68.7-39.1-178.9-16650.7000113.4V550 M554 L579 L580 Q581 L585 E586 M587V550-W583 HydrophobicContact CB-CZ3 3.78Å; V550-W583 HydrophobicContact CG1-CE3 3.72Å; V550-W583 HydrophobicContact CG1-CH2 3.73Å; V550-W583 HydrophobicContact CG1-CZ3 3.02Å; M554-W583 HydrophobicContact CB-CH2 4.5Å; M554-W583 HydrophobicContact CE-CZ2 4.29Å; M554-W583 HydrophobicContact CG-CH2 3.66Å; M554-W583 HydrophobicContact CG-CZ2 4.07Å; L579-W583 WeakPolarHBondContact O-CB 3.43Å; L579-W583 PolarHBondContact O-N 3.02Å; L580-W583 PolarHBondContact O-N 3.17Å; Q581-W583 VanDerWaalsContact C-N 3.31Å; Q581-W583 PolarHBondContact O-N 3.49Å; W583-L585 VanDerWaalsContact C-N 3.31Å; W583-L585 PolarHBondContact O-N 3.47Å; W583-E586 PolarHBondContact O-N 3.3Å; W583-M587 VanDerWaalsContact O-CB 3.26Å; W583-M587 WeakPolarHBondContact O-CB 3.39Å; W583-M587 PolarHBondContact O-N 2.98Å
584L75.8Confident71.1Confident0 Ų056.5 Ų56.50%031%0.308CS..Hα-helixtrans-58.2-43.8172.3176.968.7000111.5T563 L566 L567 L570 L580 Q581 M587 N588 F605T563-L584 HydrophobicContact CG2-CD1 4.22Å; L566-L584 HydrophobicContact CB-CD1 3.8Å; L566-L584 HydrophobicContact CB-CD2 4.19Å; L566-L584 HydrophobicContact CD1-CB 4.25Å; L566-L584 HydrophobicContact CD1-CD1 3.66Å; L566-L584 HydrophobicContact CD1-CG 4.46Å; L566-L584 HydrophobicContact CG-CD1 4.39Å; L567-L584 HydrophobicContact CD2-CD2 4.25Å; L570-L584 HydrophobicContact CD1-CD2 4.18Å; L580-L584 WeakPolarHBondContact O-CB 3.2Å; L580-L584 PolarHBondContact O-N 3.33Å; Q581-L584 PolarHBondContact O-N 2.66Å; L584-M587 HydrophobicContact CD1-CE 4.4Å; L584-N588 WeakPolarHBondContact CD1-ND2 3.29Å; L584-N588 WeakPolarHBondContact O-CB 3.33Å; L584-N588 PolarHBondContact O-N 2.98Å; L584-N588 VanDerWaalsContact O-N 3.14Å; L584-N588 PolarHBondContact O-ND2 2.78Å; L584-F605 HydrophobicContact CD2-CD2 4.28Å; L584-F605 HydrophobicContact CD2-CE2 3.47Å; L584-F605 VanDerWaalsContact CD2-CE2 3.47Å; L584-F605 HydrophobicContact CD2-CZ 3.95Å
585L74Confident71.3Confident1 Ų155.2 Ų55.21%0.00531%0.31CS..Hα-helixtrans-71.7-43.7-179.7-72170.6000111.7Q581 T582 W583 N588 L589 I599 L600 Y608 I613Q581-L585 WeakPolarHBondContact O-CG 3.37Å; Q581-L585 PolarHBondContact O-N 2.96Å; Q581-L585 VanDerWaalsContact O-N 3.11Å; T582-L585 PolarHBondContact O-N 3.03Å; W583-L585 VanDerWaalsContact C-N 3.31Å; W583-L585 PolarHBondContact O-N 3.47Å; L585-N588 PolarHBondContact O-N 3.24Å; L585-L589 VanDerWaalsContact O-CB 3.3Å; L585-L589 WeakPolarHBondContact O-CB 3.45Å; L585-L589 VanDerWaalsContact O-CG 3.25Å; L585-L589 WeakPolarHBondContact O-CG 3.25Å; L585-L589 PolarHBondContact O-N 2.94Å; L585-I599 HydrophobicContact CD2-CB 4.37Å; L585-I599 HydrophobicContact CD2-CG2 3.75Å; L585-L600 HydrophobicContact CD1-CD2 3.83Å; L585-L600 HydrophobicContact CD2-CD1 4.5Å; L585-L600 HydrophobicContact CD2-CD2 3.71Å; L585-L600 HydrophobicContact CD2-CG 3.8Å; L585-L600 HydrophobicContact CG-CD2 4.41Å; L585-Y608 HydrophobicContact CD1-CD1 3.48Å; L585-Y608 VanDerWaalsContact CD1-CD1 3.48Å; L585-Y608 HydrophobicContact CD1-CD2 3.79Å; L585-Y608 HydrophobicContact CD1-CE1 3.7Å; L585-Y608 HydrophobicContact CD1-CE2 4.03Å; L585-Y608 HydrophobicContact CD1-CG 3.52Å; L585-I613 HydrophobicContact CB-CD1 3.77Å
586E77.3Confident71.6Confident73 Ų7350.5 Ų50.534%0.34128%0.28SS..Hα-helixtrans-59.2-49.5176.1-173.1-175.3172.800111.1T582 W583 N588 L589 V590 L616T582-E586 WeakPolarHBondContact O-CB 3.35Å; T582-E586 PolarHBondContact O-N 3.47Å; W583-E586 PolarHBondContact O-N 3.3Å; E586-N588 VanDerWaalsContact C-N 3.34Å; E586-N588 PolarHBondContact O-N 2.97Å; E586-L589 PolarHBondContact O-N 3.33Å; E586-V590 VanDerWaalsContact O-CG2 3.31Å; E586-V590 WeakPolarHBondContact O-CG2 3.32Å; E586-V590 PolarHBondContact O-N 3.04Å; E586-L616 HydrophobicContact CG-CD1 4.36Å
587M74.9Confident71.9Confident13 Ų1348.6 Ų48.66%0.06426%0.256CS..Hα-helixtrans-57.6-46.3177.4-175.8-165.972.700111.5M554 I559 T563 W583 L584 H591M554-M587 HydrophobicContact CE-CG 4.22Å; M554-M587 HydrophobicContact CE-SD 3.77Å; M554-M587 HydrophobicContact SD-SD 3.56Å; I559-M587 HydrophobicContact CG2-CE 3.69Å; I559-M587 HydrophobicContact CG2-CG 4.41Å; I559-M587 HydrophobicContact CG2-SD 3.88Å; T563-M587 WeakPolarHBondContact OG1-CE 3.39Å; W583-M587 VanDerWaalsContact O-CB 3.26Å; W583-M587 WeakPolarHBondContact O-CB 3.39Å; W583-M587 PolarHBondContact O-N 2.98Å; L584-M587 HydrophobicContact CD1-CE 4.4Å; M587-H591 WeakPolarHBondContact O-CB 3.39Å; M587-H591 PolarHBondContact O-CD2 3.39Å; M587-H591 PolarHBondContact O-N 3.3Å; M587-H591 VanDerWaalsContact O-N 3.08Å
588N74.6Confident72.1Confident4 Ų450.1 Ų50.12%0.02127%0.272CS..Hα-helixtrans-73.7-34179.8-73-61.5000112.5T563 L584 L585 E586 V590 A592 A596T563-N588 PolarHBondContact OG1-OD1 3.12Å; L584-N588 WeakPolarHBondContact CD1-ND2 3.29Å; L584-N588 WeakPolarHBondContact O-CB 3.33Å; L584-N588 PolarHBondContact O-N 2.98Å; L584-N588 VanDerWaalsContact O-N 3.14Å; L584-N588 PolarHBondContact O-ND2 2.78Å; L585-N588 PolarHBondContact O-N 3.24Å; E586-N588 VanDerWaalsContact C-N 3.34Å; E586-N588 PolarHBondContact O-N 2.97Å; N588-V590 VanDerWaalsContact C-N 3.32Å; N588-V590 PolarHBondContact O-N 3.18Å; N588-A592 CarbonylContact O-C 3.55Å; N588-A592 VanDerWaalsContact O-CA 3.23Å; N588-A592 WeakPolarHBondContact O-CA 3.35Å; N588-A592 PolarHBondContact O-N 2.94Å; N588-A596 HydrophobicContact CB-CB 3.89Å
589L72.9Confident72.2Confident14 Ų1450 Ų507%0.07327%0.269CS..Hα-helixtrans-66.5-34.5176.6-78.3166.2000112.1L585 E586 A596 I613 L616L585-L589 VanDerWaalsContact O-CB 3.3Å; L585-L589 WeakPolarHBondContact O-CB 3.45Å; L585-L589 VanDerWaalsContact O-CG 3.25Å; L585-L589 WeakPolarHBondContact O-CG 3.25Å; L585-L589 PolarHBondContact O-N 2.94Å; E586-L589 PolarHBondContact O-N 3.33Å; L589-A596 HydrophobicContact CB-CB 4.36Å; L589-A596 HydrophobicContact CD2-CB 3.55Å; L589-A596 HydrophobicContact CG-CB 3.6Å; L589-I613 HydrophobicContact CD1-CD1 3.84Å; L589-I613 HydrophobicContact CD1-CG2 4.01Å; L589-L616 HydrophobicContact CD1-CB 4.28Å
590V75.3Confident72.3Confident94 Ų9443.1 Ų43.157%0.5723%0.233SC*.Hα-helixtrans-78.3-42178.6174.90000112.1E586 N588E586-V590 VanDerWaalsContact O-CG2 3.31Å; E586-V590 WeakPolarHBondContact O-CG2 3.32Å; E586-V590 PolarHBondContact O-N 3.04Å; N588-V590 VanDerWaalsContact C-N 3.32Å; N588-V590 PolarHBondContact O-N 3.18Å
591H69.5Low72.1Confident127 Ų12744 Ų4459%0.58825%0.248SC*.Hα-helixtrans-102.7-25.1-172.2-66.8-69.1000115M587M587-H591 WeakPolarHBondContact O-CB 3.39Å; M587-H591 PolarHBondContact O-CD2 3.39Å; M587-H591 PolarHBondContact O-N 3.3Å; M587-H591 VanDerWaalsContact O-N 3.08Å
592A70.5Confident71.9Confident35 Ų3549.6 Ų49.629%0.28928%0.278SS..  trans-153.169-175.700000112.5N588 Q594 V595 A596N588-A592 CarbonylContact O-C 3.55Å; N588-A592 VanDerWaalsContact O-CA 3.23Å; N588-A592 WeakPolarHBondContact O-CA 3.35Å; N588-A592 PolarHBondContact O-N 2.94Å; A592-Q594 PolarHBondContact O-N 3.22Å; A592-V595 HydrophobicContact CB-CB 4.25Å; A592-V595 HydrophobicContact CB-CG2 4.09Å; A592-V595 WeakPolarHBondContact O-CB 3.08Å; A592-V595 PolarHBondContact O-N 3.28Å; A592-A596 PolarHBondContact O-N 2.8Å
593P69.7Low71.4Confident59 Ų5955.7 Ų55.738%0.38330%0.303SS..Hα-helixtrans-60.2-25.8-169.718.9-30.7000114.4A596 D597P593-A596 PolarHBondContact O-N 3.32Å; P593-D597 WeakPolarHBondContact O-CB 3.33Å; P593-D597 PolarHBondContact O-N 3.42Å
594Q70.6Confident70.8Confident173 Ų17355.1 Ų55.181%0.80831%0.305SS*.Hα-helixtrans-66.7-34.1173.5-67.3179-9.200113A592 A598A592-Q594 PolarHBondContact O-N 3.22Å; Q594-A598 PolarHBondContact O-N 3.34Å; Q594-A598 VanDerWaalsContact O-N 3.11Å
595V71.6Confident70.5Confident63 Ų6355.6 Ų55.638%0.38231%0.307SS..Hα-helixtrans-74.7-39.9176.61800000109.7T563 A592 A598 I599T563-V595 HydrophobicContact CG2-CG1 4.3Å; A592-V595 HydrophobicContact CB-CB 4.25Å; A592-V595 HydrophobicContact CB-CG2 4.09Å; A592-V595 WeakPolarHBondContact O-CB 3.08Å; A592-V595 PolarHBondContact O-N 3.28Å; V595-A598 PolarHBondContact O-N 3.5Å; V595-I599 HydrophobicContact CG1-CD1 3.89Å; V595-I599 HydrophobicContact CG1-CG1 4.42Å; V595-I599 WeakPolarHBondContact O-CG1 3.26Å; V595-I599 PolarHBondContact O-N 3.5Å
596A69Low70.1Confident0 Ų058.3 Ų58.30%032%0.324CS..Hα-helixtrans-62.2-41.9173.400000112.4N588 L589 A592 P593 A598 I599 L600N588-A596 HydrophobicContact CB-CB 3.89Å; L589-A596 HydrophobicContact CB-CB 4.36Å; L589-A596 HydrophobicContact CD2-CB 3.55Å; L589-A596 HydrophobicContact CG-CB 3.6Å; A592-A596 PolarHBondContact O-N 2.8Å; P593-A596 PolarHBondContact O-N 3.32Å; A596-A598 VanDerWaalsContact C-N 3.35Å; A596-A598 PolarHBondContact O-N 2.84Å; A596-I599 PolarHBondContact O-N 2.98Å; A596-L600 WeakPolarHBondContact O-CB 3.35Å; A596-L600 WeakPolarHBondContact O-CG 3.33Å; A596-L600 PolarHBondContact O-N 3.5Å
597D68.6Low69.4Low60 Ų6058.8 Ų58.832%0.32133%0.326SS..Hα-helixtrans-62.4-41.2175.3-171.838.1000111.7P593 I599 G601 L622 Q625P593-D597 WeakPolarHBondContact O-CB 3.33Å; P593-D597 PolarHBondContact O-N 3.42Å; D597-I599 VanDerWaalsContact C-N 3.35Å; D597-I599 PolarHBondContact O-N 3.23Å; D597-G601 WeakPolarHBondContact O-CA 3.46Å; D597-G601 PolarHBondContact O-N 3.42Å; D597-L622 HydrophobicContact CB-CD1 3.98Å; D597-L622 HydrophobicContact CB-CD2 4.38Å; D597-Q625 WeakPolarHBondContact OD1-CG 3.28Å; D597-Q625 PolarHBondContact OD1-NE2 3.35Å
598A70.4Confident69.3Low53 Ų5359.4 Ų59.444%0.43833%0.327SS..Hα-helixtrans-64.9-36.5173.200000112.8Q594 V595 A596 N602Q594-A598 PolarHBondContact O-N 3.34Å; Q594-A598 VanDerWaalsContact O-N 3.11Å; V595-A598 PolarHBondContact O-N 3.5Å; A596-A598 VanDerWaalsContact C-N 3.35Å; A596-A598 PolarHBondContact O-N 2.84Å; A598-N602 VanDerWaalsContact O-CB 3.3Å; A598-N602 WeakPolarHBondContact O-CB 3.33Å; A598-N602 PolarHBondContact O-N 3.31Å; A598-N602 VanDerWaalsContact O-N 3.09Å; A598-N602 PolarHBondContact O-ND2 3.2Å
599I69Low69.3Low6 Ų663.3 Ų63.33%0.03135%0.348CS..Hα-helixtrans-69.8-46.4177.7-68.7168.8000111.2T563 L567 L585 V595 A596 D597 N602 K603 M604 F605T563-I599 HydrophobicContact CG2-CD1 4.28Å; L567-I599 HydrophobicContact CD1-CD1 4.41Å; L567-I599 HydrophobicContact CD2-CD1 4.04Å; L567-I599 HydrophobicContact CD2-CG1 4.08Å; L585-I599 HydrophobicContact CD2-CB 4.37Å; L585-I599 HydrophobicContact CD2-CG2 3.75Å; V595-I599 HydrophobicContact CG1-CD1 3.89Å; V595-I599 HydrophobicContact CG1-CG1 4.42Å; V595-I599 WeakPolarHBondContact O-CG1 3.26Å; V595-I599 PolarHBondContact O-N 3.5Å; A596-I599 PolarHBondContact O-N 2.98Å; D597-I599 VanDerWaalsContact C-N 3.35Å; D597-I599 PolarHBondContact O-N 3.23Å; I599-N602 PolarHBondContact O-N 3.04Å; I599-K603 PolarHBondContact O-N 3.14Å; I599-M604 HydrophobicContact CB-CE 4.08Å; I599-M604 HydrophobicContact CG1-CE 3.8Å; I599-M604 HydrophobicContact CG2-CE 3.91Å; I599-F605 HydrophobicContact CG2-CD2 3.88Å; I599-F605 HydrophobicContact CG2-CE2 3.76Å
600L71.1Confident69.1Low8 Ų869 Ų694%0.04237%0.369CS..Hα-helixtrans-66.6-44.6177.6-71.2170.4000111.1L585 A596 N602 K603 Y608 I613L585-L600 HydrophobicContact CD1-CD2 3.83Å; L585-L600 HydrophobicContact CD2-CD1 4.5Å; L585-L600 HydrophobicContact CD2-CD2 3.71Å; L585-L600 HydrophobicContact CD2-CG 3.8Å; L585-L600 HydrophobicContact CG-CD2 4.41Å; A596-L600 WeakPolarHBondContact O-CB 3.35Å; A596-L600 WeakPolarHBondContact O-CG 3.33Å; A596-L600 PolarHBondContact O-N 3.5Å; L600-N602 VanDerWaalsContact C-N 3.3Å; L600-N602 PolarHBondContact O-N 3.35Å; L600-K603 PolarHBondContact O-N 3.16Å; L600-Y608 HydrophobicContact CD2-CE1 4.46Å; L600-Y608 HydrophobicContact CD2-CE2 4.42Å; L600-I613 HydrophobicContact CD1-CG2 4.44Å
601G66.5Low68.8Low43 Ų4367.5 Ų67.544%0.44337%0.366SS..Hα-helixtrans-61.5-33.8176.300000113.8D597 K603D597-G601 WeakPolarHBondContact O-CA 3.46Å; D597-G601 PolarHBondContact O-N 3.42Å; G601-K603 VanDerWaalsContact C-N 3.25Å; G601-K603 PolarHBondContact O-N 2.98Å
602N69.5Low69Low118 Ų11865.1 Ų65.163%0.63136%0.355SS*.THydrogen-bonded Turntrans-79.1-2.4173.8-74.3-20.2000113.9A598 I599 L600 M604A598-N602 VanDerWaalsContact O-CB 3.3Å; A598-N602 WeakPolarHBondContact O-CB 3.33Å; A598-N602 PolarHBondContact O-N 3.31Å; A598-N602 VanDerWaalsContact O-N 3.09Å; A598-N602 PolarHBondContact O-ND2 3.2Å; I599-N602 PolarHBondContact O-N 3.04Å; L600-N602 VanDerWaalsContact C-N 3.3Å; L600-N602 PolarHBondContact O-N 3.35Å; N602-M604 HydrophobicContact CB-CG 3.88Å; N602-M604 HydrophobicContact CB-SD 4.48Å; N602-M604 PolarHBondContact O-N 3.36Å; N602-M604 VanDerWaalsContact O-N 3.16Å
603K66.6Low69.2Low146 Ų14663.5 Ų63.564%0.63534%0.342SS*.THydrogen-bonded Turntrans50.836.2179.6-59.8-172.7177.3-173.10114.3I599 L600 G601 F605I599-K603 PolarHBondContact O-N 3.14Å; L600-K603 PolarHBondContact O-N 3.16Å; G601-K603 VanDerWaalsContact C-N 3.25Å; G601-K603 PolarHBondContact O-N 2.98Å; K603-F605 PolarHBondContact O-N 2.92Å
604M60.1Low69.1Low67 Ų6760.7 Ų60.733%0.3332%0.324SS..  trans-68.5-18.8-173.2-67.9-166.1-6900114L567 I599 N602L567-M604 HydrophobicContact CD2-CE 3.29Å; L567-M604 HydrophobicContact CD2-SD 4.27Å; L567-M604 HydrophobicContact CG-CE 4.47Å; I599-M604 HydrophobicContact CB-CE 4.08Å; I599-M604 HydrophobicContact CG1-CE 3.8Å; I599-M604 HydrophobicContact CG2-CE 3.91Å; N602-M604 HydrophobicContact CB-CG 3.88Å; N602-M604 HydrophobicContact CB-SD 4.48Å; N602-M604 PolarHBondContact O-N 3.36Å; N602-M604 VanDerWaalsContact O-N 3.16Å
605F69.9Low69.1Low11 Ų1157.6 Ų57.65%0.04831%0.309CS..  trans-135.9147.6-173.4-55.9-52.5000111.7L567 L570 Q581 L584 I599 K603 Y608L567-F605 HydrophobicContact CD2-CE2 3.89Å; L567-F605 HydrophobicContact CD2-CZ 3.88Å; L570-F605 HydrophobicContact CB-CD1 4.06Å; L570-F605 HydrophobicContact CB-CE1 3.25Å; L570-F605 HydrophobicContact CB-CZ 3.8Å; L570-F605 HydrophobicContact CD1-CE1 4.19Å; L570-F605 HydrophobicContact CD1-CZ 4.24Å; L570-F605 HydrophobicContact CG-CE1 4.36Å; L570-F605 WeakPolarHBondContact O-CE1 3.42Å; Q581-F605 HydrophobicContact CB-CB 4.27Å; Q581-F605 HydrophobicContact CB-CG 4.43Å; Q581-F605 HydrophobicContact CG-CB 4.05Å; Q581-F605 HydrophobicContact CG-CD1 3.98Å; Q581-F605 HydrophobicContact CG-CG 4Å; L584-F605 HydrophobicContact CD2-CD2 4.28Å; L584-F605 HydrophobicContact CD2-CE2 3.47Å; L584-F605 VanDerWaalsContact CD2-CE2 3.47Å; L584-F605 HydrophobicContact CD2-CZ 3.95Å; I599-F605 HydrophobicContact CG2-CD2 3.88Å; I599-F605 HydrophobicContact CG2-CE2 3.76Å; K603-F605 PolarHBondContact O-N 2.92Å; F605-Y608 HydrophobicContact CB-CD1 4.03Å; F605-Y608 HydrophobicContact CB-CE1 4.17Å; F605-Y608 VanDerWaalsContact O-CE1 3.29Å; F605-Y608 WeakPolarHBondContact O-CE1 3.13Å
606T63.7Low69.1Low58 Ų5856.6 Ų56.636%0.35630%0.301SS..  trans-127.5-12.6-176.3520000115.8N573 R610N573-T606 WeakPolarHBondContact ND2-CG2 3.14Å; N573-T606 PolarHBondContact ND2-OG1 3.46Å; N573-T606 PolarHBondContact OD1-N 3.32Å; N573-T606 VanDerWaalsContact OD1-N 3.09Å; N573-T606 PolarHBondContact OD1-OG1 3.03Å; T606-R610 PolarHBondContact O-NH2 2.9Å; T606-R610 VanDerWaalsContact O-NH2 3.12Å
607H64.6Low69.1Low83 Ų8356.6 Ų56.638%0.38430%0.301SS..SBendtrans-109.912.8-165.8-62.9-69.7000114.9G578G578-H607 VanDerWaalsContact CA-O 3.22Å; G578-H607 WeakPolarHBondContact CA-O 3.38Å
608Y72.4Confident69.2Low26 Ų2657.9 Ų57.910%0.10231%0.305CS..SBendtrans-81.3164.8176.757-94.1000113.6T582 L585 L600 F605 R610 I613 H629T582-Y608 WeakPolarHBondContact OG1-CA 3.34Å; T582-Y608 VanDerWaalsContact OG1-CB 3.27Å; T582-Y608 WeakPolarHBondContact OG1-CB 3.49Å; L585-Y608 HydrophobicContact CD1-CD1 3.48Å; L585-Y608 VanDerWaalsContact CD1-CD1 3.48Å; L585-Y608 HydrophobicContact CD1-CD2 3.79Å; L585-Y608 HydrophobicContact CD1-CE1 3.7Å; L585-Y608 HydrophobicContact CD1-CE2 4.03Å; L585-Y608 HydrophobicContact CD1-CG 3.52Å; L600-Y608 HydrophobicContact CD2-CE1 4.46Å; L600-Y608 HydrophobicContact CD2-CE2 4.42Å; F605-Y608 HydrophobicContact CB-CD1 4.03Å; F605-Y608 HydrophobicContact CB-CE1 4.17Å; F605-Y608 VanDerWaalsContact O-CE1 3.29Å; F605-Y608 WeakPolarHBondContact O-CE1 3.13Å; Y608-R610 HydrophobicContact CD2-CG 4.32Å; Y608-R610 HydrophobicContact CE2-CG 4.08Å; Y608-R610 PolarHBondContact O-N 2.82Å; Y608-I613 HydrophobicContact CD2-CB 4.32Å; Y608-I613 HydrophobicContact CD2-CG1 3.98Å; Y608-I613 HydrophobicContact CE2-CB 4.39Å; Y608-I613 HydrophobicContact CE2-CG1 4.49Å; Y608-I613 HydrophobicContact CE2-CG2 4.26Å; Y608-H629 AromaticContact CZ-CE1 3.93Å; Y608-H629 PolarHBondContact OH-CE1 3.08Å; Y608-H629 PolarHBondContact OH-NE2 2.97Å
609D73.9Confident69.2Low86 Ų8663.7 Ų63.746%0.4632%0.321SS..  trans-69.5100.4175.6-172.2-17.7000111.6T582 A611 H612 I613T582-D609 HydrophobicContact CG2-CB 3.94Å; T582-D609 PolarHBondContact OG1-N 2.92Å; D609-A611 PolarHBondContact OD1-N 3.3Å; D609-H612 HydrophobicContact CB-CB 4.29Å; D609-H612 PolarHBondContact OD1-N 2.93Å; D609-I613 WeakPolarHBondContact O-CB 3.26Å; D609-I613 VanDerWaalsContact O-CG1 3.23Å; D609-I613 WeakPolarHBondContact O-CG1 3.4Å; D609-I613 PolarHBondContact O-N 3.49Å
610R68.6Low68.9Low133 Ų13365.8 Ų65.850%0.50234%0.339SS..Hα-helixtrans-68.6-35.5-174.4-61.7-175.8-178.1179.40.7113.3T606 Y608 A614 H629T606-R610 PolarHBondContact O-NH2 2.9Å; T606-R610 VanDerWaalsContact O-NH2 3.12Å; Y608-R610 HydrophobicContact CD2-CG 4.32Å; Y608-R610 HydrophobicContact CE2-CG 4.08Å; Y608-R610 PolarHBondContact O-N 2.82Å; R610-A614 VanDerWaalsContact O-CB 3.24Å; R610-A614 WeakPolarHBondContact O-CB 3.32Å; R610-A614 PolarHBondContact O-N 3.3Å; R610-H629 HydrophobicContact CB-CB 4.48Å
611A70.1Confident68.6Low63 Ų6368.1 Ų68.152%0.52137%0.365SS..Hα-helixtrans-72-40.5-176.200000111.2D609 Q615D609-A611 PolarHBondContact OD1-N 3.3Å; A611-Q615 WeakPolarHBondContact O-CG 3.47Å; A611-Q615 PolarHBondContact O-N 3.23Å
612H72.8Confident68.8Low77 Ų7768 Ų6836%0.35635%0.354SS..Hα-helixtrans-67.4-44.1176.3-168.760.5000111.9D609 Q615 L616D609-H612 HydrophobicContact CB-CB 4.29Å; D609-H612 PolarHBondContact OD1-N 2.93Å; H612-Q615 PolarHBondContact O-N 2.95Å; H612-L616 WeakPolarHBondContact O-CG 3.38Å; H612-L616 PolarHBondContact O-N 3.15Å
613I74.3Confident68.6Low0 Ų067 Ų670%035%0.348CS..Hα-helixtrans-67.2-38.3177.7-65.9-65.5000111.9L585 L589 L600 Y608 D609 Q615 L616 C617L585-I613 HydrophobicContact CB-CD1 3.77Å; L589-I613 HydrophobicContact CD1-CD1 3.84Å; L589-I613 HydrophobicContact CD1-CG2 4.01Å; L600-I613 HydrophobicContact CD1-CG2 4.44Å; Y608-I613 HydrophobicContact CD2-CB 4.32Å; Y608-I613 HydrophobicContact CD2-CG1 3.98Å; Y608-I613 HydrophobicContact CE2-CB 4.39Å; Y608-I613 HydrophobicContact CE2-CG1 4.49Å; Y608-I613 HydrophobicContact CE2-CG2 4.26Å; D609-I613 WeakPolarHBondContact O-CB 3.26Å; D609-I613 VanDerWaalsContact O-CG1 3.23Å; D609-I613 WeakPolarHBondContact O-CG1 3.4Å; D609-I613 PolarHBondContact O-N 3.49Å; I613-Q615 VanDerWaalsContact C-N 3.35Å; I613-Q615 PolarHBondContact O-N 3.44Å; I613-L616 PolarHBondContact O-N 3.41Å; I613-C617 WeakPolarHBondContact O-CB 3.18Å; I613-C617 PolarHBondContact O-N 3.47Å; I613-C617 PolarHBondContact O-SG 2.8Å; I613-C617 VanDerWaalsContact O-SG 3.34Å
614A67.1Low68.5Low1 Ų163.9 Ų63.91%0.00834%0.336CS..Hα-helixtrans-56.8-46.1176.300000112.5R610 L616 C617 E618 H629 Y630R610-A614 VanDerWaalsContact O-CB 3.24Å; R610-A614 WeakPolarHBondContact O-CB 3.32Å; R610-A614 PolarHBondContact O-N 3.3Å; A614-L616 VanDerWaalsContact C-N 3.34Å; A614-L616 PolarHBondContact O-N 3.3Å; A614-C617 PolarHBondContact O-N 3.37Å; A614-E618 PolarHBondContact O-N 3.33Å; A614-H629 HydrophobicContact CB-CB 3.58Å; A614-Y630 HydrophobicContact CB-CD1 4.47Å; A614-Y630 HydrophobicContact CB-CE1 4.19Å
615Q72.1Confident68.8Low108 Ų10861.6 Ų61.651%0.50532%0.324SS..Hα-helixtrans-66.5-35.6178.9-69.4179.62.600112.3A611 H612 I613 K619A611-Q615 WeakPolarHBondContact O-CG 3.47Å; A611-Q615 PolarHBondContact O-N 3.23Å; H612-Q615 PolarHBondContact O-N 2.95Å; I613-Q615 VanDerWaalsContact C-N 3.35Å; I613-Q615 PolarHBondContact O-N 3.44Å; Q615-K619 WeakPolarHBondContact O-CG 3.24Å; Q615-K619 PolarHBondContact O-N 3.18Å
616L70.6Confident68.4Low41 Ų4161.1 Ų61.122%0.21532%0.322CS..Hα-helixtrans-71.1-38.2175.3-70.4173.3000111.7E586 L589 H612 I613 A614 K619 A620E586-L616 HydrophobicContact CG-CD1 4.36Å; L589-L616 HydrophobicContact CD1-CB 4.28Å; H612-L616 WeakPolarHBondContact O-CG 3.38Å; H612-L616 PolarHBondContact O-N 3.15Å; I613-L616 PolarHBondContact O-N 3.41Å; A614-L616 VanDerWaalsContact C-N 3.34Å; A614-L616 PolarHBondContact O-N 3.3Å; L616-K619 PolarHBondContact O-N 3.13Å; L616-A620 WeakPolarHBondContact O-CB 3.4Å; L616-A620 PolarHBondContact O-N 3.15Å
617C69.2Low68.4Low0 Ų058.7 Ų58.70%031%0.307CS..Hα-helixtrans-64.3-40.4174.2-72.90000112.5I613 A614 A620 G621 L622 Q625 A626I613-C617 WeakPolarHBondContact O-CB 3.18Å; I613-C617 PolarHBondContact O-N 3.47Å; I613-C617 PolarHBondContact O-SG 2.8Å; I613-C617 VanDerWaalsContact O-SG 3.34Å; A614-C617 PolarHBondContact O-N 3.37Å; C617-A620 CarbonylContact O-C 3.58Å; C617-A620 PolarHBondContact O-N 2.67Å; C617-G621 PolarHBondContact O-N 3.42Å; C617-G621 VanDerWaalsContact O-N 3.16Å; C617-L622 HydrophobicContact CB-CB 4.43Å; C617-L622 PolarHBondContact O-N 2.76Å; C617-Q625 HydrophobicContact CB-CB 4.42Å; C617-A626 HydrophobicContact CB-CB 4.36Å
618E70.4Confident68.3Low87 Ų8758 Ų5841%0.40730%0.304SS..Hα-helixtrans-65.4-42.9175.3-169.5177.4-177.600111.5A614 A620 G621 L623 A626 Y630A614-E618 PolarHBondContact O-N 3.33Å; E618-A620 PolarHBondContact O-N 3.47Å; E618-G621 PolarHBondContact O-N 3.32Å; E618-G621 VanDerWaalsContact O-N 3.1Å; E618-L623 HydrophobicContact CG-CD2 4.47Å; E618-A626 HydrophobicContact CB-CB 4.11Å; E618-Y630 PolarHBondContact OE2-OH 3.29Å
619K69.8Low67.9Low176 Ų17657.5 Ų57.577%0.76530%0.303SS*.Hα-helixtrans-63.4-29.3174-75.1177.4-178.1174.10113.2Q615 L616 G621Q615-K619 WeakPolarHBondContact O-CG 3.24Å; Q615-K619 PolarHBondContact O-N 3.18Å; L616-K619 PolarHBondContact O-N 3.13Å; K619-G621 VanDerWaalsContact C-N 3.34Å
620A62.9Low67.7Low49 Ų4956.1 Ų56.141%0.40529%0.292SS..THydrogen-bonded Turntrans-84.4-2.6176.100000113.9L616 C617 E618L616-A620 WeakPolarHBondContact O-CB 3.4Å; L616-A620 PolarHBondContact O-N 3.15Å; C617-A620 CarbonylContact O-C 3.58Å; C617-A620 PolarHBondContact O-N 2.67Å; E618-A620 PolarHBondContact O-N 3.47Å
621G66.3Low67.1Low58 Ų5856.4 Ų56.460%0.59831%0.308SS*.THydrogen-bonded Turntrans85.511.1177.500000115.7C617 E618 K619 L623C617-G621 PolarHBondContact O-N 3.42Å; C617-G621 VanDerWaalsContact O-N 3.16Å; E618-G621 PolarHBondContact O-N 3.32Å; E618-G621 VanDerWaalsContact O-N 3.1Å; K619-G621 VanDerWaalsContact C-N 3.34Å; G621-L623 PolarHBondContact O-N 2.94Å
622L70.9Confident66.8Low39 Ų3957.9 Ų57.920%0.20431%0.307CS..  trans-95.171.2-177.9-63.7170.3000111.4D597 C617 Q624 Q625 A626D597-L622 HydrophobicContact CB-CD1 3.98Å; D597-L622 HydrophobicContact CB-CD2 4.38Å; C617-L622 HydrophobicContact CB-CB 4.43Å; C617-L622 PolarHBondContact O-N 2.76Å; L622-Q624 VanDerWaalsContact C-N 3.32Å; L622-Q624 PolarHBondContact O-N 3.41Å; L622-Q625 HydrophobicContact CB-CB 4.29Å; L622-Q625 HydrophobicContact CB-CG 4.38Å; L622-Q625 PolarHBondContact O-N 2.89Å; L622-A626 PolarHBondContact O-N 3.3Å
623L64Low66Low98 Ų9856.6 Ų56.651%0.51330%0.303SS..Hα-helixtrans-61.6-31.9-174.5-74.3166.9000114.6E618 G621 L627E618-L623 HydrophobicContact CG-CD2 4.47Å; G621-L623 PolarHBondContact O-N 2.94Å; L623-L627 WeakPolarHBondContact O-CB 3.16Å; L623-L627 WeakPolarHBondContact O-CG 3.48Å; L623-L627 PolarHBondContact O-N 3.25Å
624Q65.3Low65.4Low80 Ų8064.8 Ų64.837%0.37434%0.335SS..Hα-helixtrans-66.5-44176.9-67.9176.78.800111.4L622 E628 L646 W650L622-Q624 VanDerWaalsContact C-N 3.32Å; L622-Q624 PolarHBondContact O-N 3.41Å; Q624-E628 PolarHBondContact O-N 2.95Å; Q624-L646 HydrophobicContact CG-CD2 4.19Å; Q624-W650 HydrophobicContact CB-CZ2 4.26Å; Q624-W650 HydrophobicContact CG-CD2 4.48Å; Q624-W650 WeakPolarHBondContact O-CZ2 3.17Å
625Q65.4Low65.1Low19 Ų1966.7 Ų66.79%0.08935%0.345CS..Hα-helixtrans-71.4-34.4177.4-60.9-69.7-3.500111.9D597 C617 L622 E628 H629D597-Q625 WeakPolarHBondContact OD1-CG 3.28Å; D597-Q625 PolarHBondContact OD1-NE2 3.35Å; C617-Q625 HydrophobicContact CB-CB 4.42Å; L622-Q625 HydrophobicContact CB-CB 4.29Å; L622-Q625 HydrophobicContact CB-CG 4.38Å; L622-Q625 PolarHBondContact O-N 2.89Å; Q625-E628 PolarHBondContact O-N 2.85Å; Q625-H629 PolarHBondContact O-CD2 3.23Å; Q625-H629 VanDerWaalsContact O-CD2 3.22Å; Q625-H629 PolarHBondContact O-N 3.08Å
626A61.4Low64.7Low1 Ų162 Ų621%0.00832%0.323CS..Hα-helixtrans-64.3-45.1175.900000111.8C617 E618 L622 E628 H629 Y630C617-A626 HydrophobicContact CB-CB 4.36Å; E618-A626 HydrophobicContact CB-CB 4.11Å; L622-A626 PolarHBondContact O-N 3.3Å; A626-E628 VanDerWaalsContact C-N 3.3Å; A626-E628 PolarHBondContact O-N 3.44Å; A626-H629 PolarHBondContact O-N 3.12Å; A626-H629 VanDerWaalsContact O-N 3.13Å; A626-Y630 HydrophobicContact CB-CE2 4.05Å; A626-Y630 WeakPolarHBondContact O-CD2 3.15Å; A626-Y630 PolarHBondContact O-N 3.37Å
627L63.5Low64.4Low7 Ų763.8 Ų63.84%0.03733%0.329CS..Hα-helixtrans-58.8-37.9174.8-85.4166.9000112.9L623 H629 A639 L646 W650 F654L623-L627 WeakPolarHBondContact O-CB 3.16Å; L623-L627 WeakPolarHBondContact O-CG 3.48Å; L623-L627 PolarHBondContact O-N 3.25Å; L627-H629 PolarHBondContact O-N 3.23Å; L627-A639 HydrophobicContact CD1-CB 4.29Å; L627-A639 HydrophobicContact CD2-CB 3.35Å; L627-A639 HydrophobicContact CG-CB 4.09Å; L627-L646 HydrophobicContact CD1-CD1 4.27Å; L627-L646 HydrophobicContact CD1-CD2 3.82Å; L627-W650 HydrophobicContact CB-CH2 3.57Å; L627-W650 HydrophobicContact CB-CZ2 4.26Å; L627-W650 HydrophobicContact CD1-CH2 3.78Å; L627-W650 HydrophobicContact CD1-CZ3 3.96Å; L627-W650 HydrophobicContact CG-CH2 4.32Å; L627-F654 HydrophobicContact CB-CE2 4.36Å; L627-F654 HydrophobicContact CD2-CZ 4.45Å; L627-F654 VanDerWaalsContact O-CE2 3.26Å; L627-F654 WeakPolarHBondContact O-CE2 3.49Å
628E63Low64.1Low68 Ų6871 Ų7132%0.31836%0.357SS..Hα-helixtrans-65.7-18.7177.3-105.4178.1-140.200114.1Q624 Q625 A626 W650Q624-E628 PolarHBondContact O-N 2.95Å; Q625-E628 PolarHBondContact O-N 2.85Å; A626-E628 VanDerWaalsContact C-N 3.3Å; A626-E628 PolarHBondContact O-N 3.44Å; E628-W650 HydrophobicContact CG-CZ2 3.94Å; E628-W650 PolarHBondContact OE1-NE1 3.43Å
629H64.7Low63.5Low16 Ų1668.4 Ų68.47%0.07435%0.35CS..Hα-helixtrans-110.8-7.7-177.3-63.8-33.8000114Y608 R610 A614 Q625 A626 L627Y608-H629 AromaticContact CZ-CE1 3.93Å; Y608-H629 PolarHBondContact OH-CE1 3.08Å; Y608-H629 PolarHBondContact OH-NE2 2.97Å; R610-H629 HydrophobicContact CB-CB 4.48Å; A614-H629 HydrophobicContact CB-CB 3.58Å; Q625-H629 PolarHBondContact O-CD2 3.23Å; Q625-H629 VanDerWaalsContact O-CD2 3.22Å; Q625-H629 PolarHBondContact O-N 3.08Å; A626-H629 PolarHBondContact O-N 3.12Å; A626-H629 VanDerWaalsContact O-N 3.13Å; L627-H629 PolarHBondContact O-N 3.23Å
630Y68.8Low63.2Low58 Ų5860.4 Ų60.423%0.22732%0.316CS..  trans-74.4138.2172.2-77.6-49.1000112A614 E618 A626A614-Y630 HydrophobicContact CB-CD1 4.47Å; A614-Y630 HydrophobicContact CB-CE1 4.19Å; E618-Y630 PolarHBondContact OE2-OH 3.29Å; A626-Y630 HydrophobicContact CB-CE2 4.05Å; A626-Y630 WeakPolarHBondContact O-CD2 3.15Å; A626-Y630 PolarHBondContact O-N 3.37Å
631T55.9Low63.2Low138 Ų13863.3 Ų63.385%0.84733%0.328SS*.  trans-114-7.4-17754.60000114.1
632D63.8Low62.9Low94 Ų9465.1 Ų65.150%0.50332%0.321SS..  trans-100133.4-176.2-165.3-5.9000112.5Y634 D635 I636D632-Y634 VanDerWaalsContact C-N 3.29Å; D632-Y634 PolarHBondContact O-N 2.87Å; D632-D635 PolarHBondContact O-N 3.43Å; D632-I636 WeakPolarHBondContact O-CD1 3.23Å; D632-I636 VanDerWaalsContact O-CG1 3.27Å; D632-I636 WeakPolarHBondContact O-CG1 3.33Å; D632-I636 PolarHBondContact O-N 2.97Å
633L56.8Low62.3Low50 Ų5066 Ų6626%0.26233%0.328SS..Hα-helixtrans-64.4-31.5-172.4-150.386.2000113.4K637 D662L633-K637 HydrophobicContact CD2-CD 4.21Å; L633-K637 WeakPolarHBondContact O-CB 3.35Å; L633-K637 WeakPolarHBondContact O-CG 3.28Å; L633-K637 PolarHBondContact O-N 3.29Å; L633-D662 HydrophobicContact CD1-CB 3.68Å; L633-D662 VanDerWaalsContact CD1-OD1 3.27Å; L633-D662 WeakPolarHBondContact CD1-OD1 3.43Å; L633-D662 VanDerWaalsContact CD1-OD2 3.23Å; L633-D662 WeakPolarHBondContact CD1-OD2 3.47Å; L633-D662 WeakPolarHBondContact CD2-OD1 3.45Å
634Y61.4Low62.1Low172 Ų17268.2 Ų68.268%0.67534%0.335SS*.Hα-helixtrans-70.6-44.1-178.8-175.5-97.6000111.7D632 I636 R638D632-Y634 VanDerWaalsContact C-N 3.29Å; D632-Y634 PolarHBondContact O-N 2.87Å; Y634-I636 VanDerWaalsContact C-N 3.33Å; Y634-R638 WeakPolarHBondContact O-CB 3.41Å; Y634-R638 PolarHBondContact O-N 2.98Å; Y634-R638 VanDerWaalsContact O-N 3.11Å
635D61.8Low61.8Low42 Ų4270.5 Ų70.523%0.22535%0.349CS..Hα-helixtrans-68.6-33.6176.6-74.1-45.7000111.6D632 R638 A639D632-D635 PolarHBondContact O-N 3.43Å; D635-R638 IonicContact OD1-CZ 3.66Å; D635-R638 IonicContact OD1-NH1 3.64Å; D635-R638 IonicContact OD1-NH2 3.44Å; D635-R638 PolarHBondContact OD1-NH2 2.71Å; D635-A639 PolarHBondContact O-N 3.3Å
636I63.7Low61.5Low9 Ų970.4 Ų70.45%0.04635%0.349CS..Hα-helixtrans-68.6-48.5174.9-64168.1000111.6D632 Y634 R638 A639 V640 F654 L658D632-I636 WeakPolarHBondContact O-CD1 3.23Å; D632-I636 VanDerWaalsContact O-CG1 3.27Å; D632-I636 WeakPolarHBondContact O-CG1 3.33Å; D632-I636 PolarHBondContact O-N 2.97Å; Y634-I636 VanDerWaalsContact C-N 3.33Å; I636-R638 VanDerWaalsContact C-N 3.26Å; I636-R638 PolarHBondContact O-N 2.91Å; I636-A639 PolarHBondContact O-N 3.01Å; I636-V640 HydrophobicContact CG2-CG2 3.88Å; I636-V640 WeakPolarHBondContact O-CB 3.27Å; I636-V640 VanDerWaalsContact O-CG2 3.22Å; I636-V640 WeakPolarHBondContact O-CG2 3.44Å; I636-V640 PolarHBondContact O-N 3.01Å; I636-F654 HydrophobicContact CD1-CZ 4.48Å; I636-F654 HydrophobicContact CG1-CZ 4.31Å; I636-F654 HydrophobicContact CG2-CE1 3.62Å; I636-F654 HydrophobicContact CG2-CZ 3.78Å; I636-L658 HydrophobicContact CD1-CD2 3.87Å; I636-L658 HydrophobicContact CG2-CD1 4.28Å; I636-L658 HydrophobicContact CG2-CD2 4.16Å
637K62.9Low61.5Low79 Ų7973.8 Ų73.834%0.34337%0.368SS..Hα-helixtrans-59.4-36.2176.2-78177.3175.9175.60111.4L633 V641 E665L633-K637 HydrophobicContact CD2-CD 4.21Å; L633-K637 WeakPolarHBondContact O-CB 3.35Å; L633-K637 WeakPolarHBondContact O-CG 3.28Å; L633-K637 PolarHBondContact O-N 3.29Å; K637-V641 VanDerWaalsContact O-CG2 3.31Å; K637-V641 WeakPolarHBondContact O-CG2 3.43Å; K637-E665 IonicContact NZ-OE2 2.81Å; K637-E665 PolarHBondContact NZ-OE2 3.43Å
638R63Low61.2Low151 Ų15177 Ų7757%0.5739%0.389SS*.Hα-helixtrans-67-39.5177.9-171.4178.870.1-157.5-9.5113Y634 D635 I636Y634-R638 WeakPolarHBondContact O-CB 3.41Å; Y634-R638 PolarHBondContact O-N 2.98Å; Y634-R638 VanDerWaalsContact O-N 3.11Å; D635-R638 IonicContact OD1-CZ 3.66Å; D635-R638 IonicContact OD1-NH1 3.64Å; D635-R638 IonicContact OD1-NH2 3.44Å; D635-R638 PolarHBondContact OD1-NH2 2.71Å; I636-R638 VanDerWaalsContact C-N 3.26Å; I636-R638 PolarHBondContact O-N 2.91Å
639A58.7Low61Low32 Ų3280.7 Ų80.726%0.26441%0.406SS..Hα-helixtrans-88.1-28.1-175.300000113.9L627 D635 I636 V641L627-A639 HydrophobicContact CD1-CB 4.29Å; L627-A639 HydrophobicContact CD2-CB 3.35Å; L627-A639 HydrophobicContact CG-CB 4.09Å; D635-A639 PolarHBondContact O-N 3.3Å; I636-A639 PolarHBondContact O-N 3.01Å; A639-V641 PolarHBondContact O-N 2.88Å
640V63.4Low61.1Low8 Ų881.4 Ų81.45%0.04841%0.408CS..Hα-helixtrans-72.1-25.9-178.6167.20000113.9I636 H642 T643 L651 F654 F655I636-V640 HydrophobicContact CG2-CG2 3.88Å; I636-V640 WeakPolarHBondContact O-CB 3.27Å; I636-V640 VanDerWaalsContact O-CG2 3.22Å; I636-V640 WeakPolarHBondContact O-CG2 3.44Å; I636-V640 PolarHBondContact O-N 3.01Å; V640-H642 PolarHBondContact O-N 2.66Å; V640-T643 VanDerWaalsContact O-CG2 3.32Å; V640-T643 WeakPolarHBondContact O-CG2 3.38Å; V640-L651 HydrophobicContact CG1-CD2 4.14Å; V640-F654 HydrophobicContact CG2-CD1 4.17Å; V640-F654 HydrophobicContact CG2-CE1 3.72Å; V640-F655 HydrophobicContact CG1-CE2 4.31Å; V640-F655 HydrophobicContact CG1-CZ 4.29Å
641V61.6Low61Low111 Ų11178.7 Ų78.767%0.67340%0.398SS*.THydrogen-bonded Turntrans-67.6-21.3-179.3175.20000112.3K637 A639 T643K637-V641 VanDerWaalsContact O-CG2 3.31Å; K637-V641 WeakPolarHBondContact O-CG2 3.43Å; A639-V641 PolarHBondContact O-N 2.88Å; V641-T643 PolarHBondContact O-N 3.04Å
642H61.4Low61.5Low96 Ų9672.6 Ų72.644%0.44436%0.36SS..  trans-83.653.4176-66.5-79.5000112.5V640 H644 L645V640-H642 PolarHBondContact O-N 2.66Å; H642-H644 AromaticContact ND1-CE1 3.45Å; H642-H644 PolarHBondContact ND1-CE1 3.26Å; H642-H644 AromaticContact ND1-NE2 3.93Å; H642-H644 PolarHBondContact O-N 3.05Å; H642-L645 PolarHBondContact O-N 2.99Å; H642-L645 VanDerWaalsContact O-N 3.12Å
643T57.8Low61.3Low57 Ų5772.3 Ų72.335%0.3536%0.359SS..THydrogen-bonded Turntrans-60.1-11.2-177.351.30000115.3V640 V641 L651V640-T643 VanDerWaalsContact O-CG2 3.32Å; V640-T643 WeakPolarHBondContact O-CG2 3.38Å; V641-T643 PolarHBondContact O-N 3.04Å; T643-L651 HydrophobicContact CG2-CD1 3.98Å
644H59.7Low61.5Low144 Ų14470.3 Ų70.367%0.66735%0.348SS*.THydrogen-bonded Turntrans-84.5-17.7178.453.2-77.2000114H642H642-H644 AromaticContact ND1-CE1 3.45Å; H642-H644 PolarHBondContact ND1-CE1 3.26Å; H642-H644 AromaticContact ND1-NE2 3.93Å; H642-H644 PolarHBondContact O-N 3.05Å
645L57.9Low61.6Low128 Ų12862.3 Ų62.367%0.6732%0.316SS*.SBendtrans-101.1-4.5176.4-70.5164.2000112.5H642H642-L645 PolarHBondContact O-N 2.99Å; H642-L645 VanDerWaalsContact O-N 3.12Å
646L60.5Low61.4Low17 Ų1761.5 Ų61.59%0.08932%0.318CS..SBendtrans-108.9143.6-176-65.9170.5000110Q624 L627 P648 W650 L651Q624-L646 HydrophobicContact CG-CD2 4.19Å; L627-L646 HydrophobicContact CD1-CD1 4.27Å; L627-L646 HydrophobicContact CD1-CD2 3.82Å; L646-P648 WeakPolarHBondContact O-CD 3.17Å; L646-W650 HydrophobicContact CD2-CE3 4.35Å; L646-W650 HydrophobicContact CD2-CZ3 3.98Å; L646-L651 HydrophobicContact CB-CD1 3.53Å; L646-L651 HydrophobicContact CB-CG 4.27Å; L646-L651 HydrophobicContact CD1-CD1 3.72Å; L646-L651 HydrophobicContact CD1-CG 4.16Å; L646-L651 HydrophobicContact CG-CD1 4.28Å
647N60.6Low61.1Low73 Ų7365.3 Ų65.339%0.3935%0.346SS..  trans-69.9125.4175.5-176.6-10.3000109.7E649 W650 L651N647-E649 PolarHBondContact O-N 3.4Å; N647-E649 VanDerWaalsContact O-N 3.16Å; N647-E649 PolarHBondContact OD1-N 3.23Å; N647-W650 HydrophobicContact CB-CB 4.09Å; N647-W650 PolarHBondContact O-N 3.48Å; N647-W650 VanDerWaalsContact O-N 3.1Å; N647-L651 PolarHBondContact O-N 3.46Å
648P57.7Low61Low73 Ų7362.6 Ų62.647%0.47434%0.335SS..Hα-helixtrans-52-36.5-179.9-20.722.1000114L646 V652 L681L646-P648 WeakPolarHBondContact O-CD 3.17Å; P648-V652 VanDerWaalsContact O-CG2 3.23Å; P648-V652 WeakPolarHBondContact O-CG2 3.32Å; P648-V652 PolarHBondContact O-N 3.36Å; P648-L681 HydrophobicContact CB-CD1 3.9Å
649E59.2Low61Low147 Ų14758.2 Ų58.269%0.68733%0.327SS*.Hα-helixtrans-75.5-35-179-66.5-176.1161.500112.9N647 N653N647-E649 PolarHBondContact O-N 3.4Å; N647-E649 VanDerWaalsContact O-N 3.16Å; N647-E649 PolarHBondContact OD1-N 3.23Å; E649-N653 PolarHBondContact O-N 2.96Å
650W66.8Low61.1Low30 Ų3060 Ų6011%0.11433%0.334CS..Hα-helixtrans-71.6-39.8177.717888.1000111.1Q624 L627 E628 L646 N647 V652 N653 F654Q624-W650 HydrophobicContact CB-CZ2 4.26Å; Q624-W650 HydrophobicContact CG-CD2 4.48Å; Q624-W650 WeakPolarHBondContact O-CZ2 3.17Å; L627-W650 HydrophobicContact CB-CH2 3.57Å; L627-W650 HydrophobicContact CB-CZ2 4.26Å; L627-W650 HydrophobicContact CD1-CH2 3.78Å; L627-W650 HydrophobicContact CD1-CZ3 3.96Å; L627-W650 HydrophobicContact CG-CH2 4.32Å; E628-W650 HydrophobicContact CG-CZ2 3.94Å; E628-W650 PolarHBondContact OE1-NE1 3.43Å; L646-W650 HydrophobicContact CD2-CE3 4.35Å; L646-W650 HydrophobicContact CD2-CZ3 3.98Å; N647-W650 HydrophobicContact CB-CB 4.09Å; N647-W650 PolarHBondContact O-N 3.48Å; N647-W650 VanDerWaalsContact O-N 3.1Å; W650-V652 VanDerWaalsContact C-N 3.3Å; W650-V652 PolarHBondContact O-N 2.84Å; W650-N653 CarbonylContact O-C 3.58Å; W650-N653 WeakPolarHBondContact O-CA 3.43Å; W650-N653 WeakPolarHBondContact O-CB 3.39Å; W650-N653 PolarHBondContact O-N 3.18Å; W650-F654 HydrophobicContact CE3-CB 4.47Å; W650-F654 HydrophobicContact CH2-CB 4.13Å; W650-F654 AromaticContact CH2-CD2 3.86Å; W650-F654 HydrophobicContact CH2-CD2 3.86Å; W650-F654 AromaticContact CH2-CG 3.98Å; W650-F654 HydrophobicContact CH2-CG 3.98Å; W650-F654 HydrophobicContact CZ2-CB 4.45Å; W650-F654 HydrophobicContact CZ2-CD2 4.14Å; W650-F654 HydrophobicContact CZ3-CB 4.15Å; W650-F654 HydrophobicContact CZ3-CG 4.29Å; W650-F654 PolarHBondContact O-N 3.03Å
651L65.8Low61.1Low2 Ų267.1 Ų67.11%0.0137%0.367CS..Hα-helixtrans-58.1-43.7174.1-117.2159.1000111.5V640 T643 L646 N647 N653 F654 F655V640-L651 HydrophobicContact CG1-CD2 4.14Å; T643-L651 HydrophobicContact CG2-CD1 3.98Å; L646-L651 HydrophobicContact CB-CD1 3.53Å; L646-L651 HydrophobicContact CB-CG 4.27Å; L646-L651 HydrophobicContact CD1-CD1 3.72Å; L646-L651 HydrophobicContact CD1-CG 4.16Å; L646-L651 HydrophobicContact CG-CD1 4.28Å; N647-L651 PolarHBondContact O-N 3.46Å; L651-N653 PolarHBondContact O-N 3.02Å; L651-F654 PolarHBondContact O-N 3.48Å; L651-F654 VanDerWaalsContact O-N 3.11Å; L651-F655 HydrophobicContact CD2-CD2 4.15Å; L651-F655 HydrophobicContact CD2-CE2 3.72Å; L651-F655 WeakPolarHBondContact O-CD2 3.49Å; L651-F655 PolarHBondContact O-N 3.5Å
652V65.9Low61.2Low10 Ų1063.7 Ų63.76%0.06135%0.345CS..Hα-helixtrans-62.8-23173.9173.70000112P648 W650 L681 V685 K688 Y689P648-V652 VanDerWaalsContact O-CG2 3.23Å; P648-V652 WeakPolarHBondContact O-CG2 3.32Å; P648-V652 PolarHBondContact O-N 3.36Å; W650-V652 VanDerWaalsContact C-N 3.3Å; W650-V652 PolarHBondContact O-N 2.84Å; V652-L681 HydrophobicContact CG2-CD1 4.41Å; V652-L681 HydrophobicContact CG2-CD2 4.4Å; V652-L681 HydrophobicContact CG2-CG 4.03Å; V652-V685 HydrophobicContact CB-CG2 4.29Å; V652-V685 HydrophobicContact CG1-CG2 4.28Å; V652-V685 HydrophobicContact CG2-CG2 3.82Å; V652-K688 HydrophobicContact CG1-CD 3.54Å; V652-Y689 WeakPolarHBondContact O-CE2 3.27Å; V652-Y689 VanDerWaalsContact O-CZ 3.28Å; V652-Y689 PolarHBondContact O-OH 2.76Å
653N61.3Low61.4Low88 Ų8859.4 Ų59.447%0.47133%0.326SS..Hα-helixtrans-82.3-36.8170.2-74.4-35.1000112.9E649 W650 L651 F655 G656 K688 Y689E649-N653 PolarHBondContact O-N 2.96Å; W650-N653 CarbonylContact O-C 3.58Å; W650-N653 WeakPolarHBondContact O-CA 3.43Å; W650-N653 WeakPolarHBondContact O-CB 3.39Å; W650-N653 PolarHBondContact O-N 3.18Å; L651-N653 PolarHBondContact O-N 3.02Å; N653-F655 VanDerWaalsContact C-N 3.34Å; N653-F655 PolarHBondContact O-N 2.95Å; N653-G656 PolarHBondContact O-N 3.26Å; N653-G656 VanDerWaalsContact O-N 3.15Å; N653-K688 WeakPolarHBondContact OD1-CE 3.37Å; N653-K688 PolarHBondContact OD1-NZ 2.77Å; N653-Y689 VanDerWaalsContact CA-OH 3.23Å; N653-Y689 WeakPolarHBondContact CA-OH 3.36Å; N653-Y689 PolarHBondContact O-OH 3.13Å
654F60.9Low61.8Low8 Ų859.1 Ų59.14%0.03532%0.324CS..Hα-helixtrans-63.5-37.5-176.2-179.6-106.1000112.8L627 I636 V640 W650 L651 G656 S657 L658L627-F654 HydrophobicContact CB-CE2 4.36Å; L627-F654 HydrophobicContact CD2-CZ 4.45Å; L627-F654 VanDerWaalsContact O-CE2 3.26Å; L627-F654 WeakPolarHBondContact O-CE2 3.49Å; I636-F654 HydrophobicContact CD1-CZ 4.48Å; I636-F654 HydrophobicContact CG1-CZ 4.31Å; I636-F654 HydrophobicContact CG2-CE1 3.62Å; I636-F654 HydrophobicContact CG2-CZ 3.78Å; V640-F654 HydrophobicContact CG2-CD1 4.17Å; V640-F654 HydrophobicContact CG2-CE1 3.72Å; W650-F654 HydrophobicContact CE3-CB 4.47Å; W650-F654 HydrophobicContact CH2-CB 4.13Å; W650-F654 AromaticContact CH2-CD2 3.86Å; W650-F654 HydrophobicContact CH2-CD2 3.86Å; W650-F654 AromaticContact CH2-CG 3.98Å; W650-F654 HydrophobicContact CH2-CG 3.98Å; W650-F654 HydrophobicContact CZ2-CB 4.45Å; W650-F654 HydrophobicContact CZ2-CD2 4.14Å; W650-F654 HydrophobicContact CZ3-CB 4.15Å; W650-F654 HydrophobicContact CZ3-CG 4.29Å; W650-F654 PolarHBondContact O-N 3.03Å; L651-F654 PolarHBondContact O-N 3.48Å; L651-F654 VanDerWaalsContact O-N 3.11Å; F654-G656 PolarHBondContact O-N 3.23Å; F654-S657 PolarHBondContact O-N 3.35Å; F654-S657 PolarHBondContact O-OG 3.31Å; F654-L658 HydrophobicContact CD1-CD1 4.28Å; F654-L658 HydrophobicContact CE1-CD1 3.89Å
655F63.3Low62.1Low3 Ų357.2 Ų57.21%0.01332%0.316CS..G310 helixtrans-58.4-19.9175.2-89.6-90.8000114.6V640 L651 N653 S657 S663 C666 L667 M670 V685 Y689V640-F655 HydrophobicContact CG1-CE2 4.31Å; V640-F655 HydrophobicContact CG1-CZ 4.29Å; L651-F655 HydrophobicContact CD2-CD2 4.15Å; L651-F655 HydrophobicContact CD2-CE2 3.72Å; L651-F655 WeakPolarHBondContact O-CD2 3.49Å; L651-F655 PolarHBondContact O-N 3.5Å; N653-F655 VanDerWaalsContact C-N 3.34Å; N653-F655 PolarHBondContact O-N 2.95Å; F655-S657 VanDerWaalsContact C-N 3.32Å; F655-S663 PolarHBondContact O-OG 2.63Å; F655-C666 HydrophobicContact CD1-CB 4.43Å; F655-C666 HydrophobicContact CE1-CB 3.35Å; F655-C666 HydrophobicContact CZ-CB 3.8Å; F655-L667 HydrophobicContact CE1-CG 4.32Å; F655-M670 HydrophobicContact CD2-CE 4.44Å; F655-M670 HydrophobicContact CE1-CE 3.87Å; F655-M670 HydrophobicContact CE2-CE 3.56Å; F655-M670 HydrophobicContact CE2-SD 3.75Å; F655-M670 HydrophobicContact CZ-CE 3.21Å; F655-M670 HydrophobicContact CZ-CG 4.46Å; F655-M670 HydrophobicContact CZ-SD 3.62Å; F655-V685 HydrophobicContact CB-CG1 3.89Å; F655-V685 HydrophobicContact CD1-CG1 4.37Å; F655-V685 HydrophobicContact CG-CG1 4.08Å; F655-Y689 HydrophobicContact CB-CD2 4.27Å; F655-Y689 HydrophobicContact CB-CE2 3.89Å
656G57.8Low62.5Low25 Ų2551.5 Ų51.526%0.25829%0.286SS..G310 helixtrans-78.2-13.517500000115.1N653 F654 Y689N653-G656 PolarHBondContact O-N 3.26Å; N653-G656 VanDerWaalsContact O-N 3.15Å; F654-G656 PolarHBondContact O-N 3.23Å; G656-Y689 PolarHBondContact N-OH 3.32Å
657S56.1Low62.9Low90 Ų9051.2 Ų51.263%0.62929%0.285SS*.G310 helixtrans-90.1-11.4177.566.70000113.3F654 F655F654-S657 PolarHBondContact O-N 3.35Å; F654-S657 PolarHBondContact O-OG 3.31Å; F655-S657 VanDerWaalsContact C-N 3.32Å
658L60.9Low63.3Low22 Ų2252.6 Ų52.612%0.11529%0.289CS..SBendtrans-88158.5-178.6-74.9162.9000111.4I636 F654 S663I636-L658 HydrophobicContact CD1-CD2 3.87Å; I636-L658 HydrophobicContact CG2-CD1 4.28Å; I636-L658 HydrophobicContact CG2-CD2 4.16Å; F654-L658 HydrophobicContact CD1-CD1 4.28Å; F654-L658 HydrophobicContact CE1-CD1 3.89Å; L658-S663 WeakPolarHBondContact CB-OG 3.37Å
659S63.5Low63.7Low59 Ų5952 Ų5241%0.41329%0.289SS..  trans-69.4161.4175.990.30000111.6E661 D662 S663S659-E661 PolarHBondContact O-N 3.27Å; S659-D662 WeakPolarHBondContact CB-OD2 3.48Å; S659-D662 PolarHBondContact O-N 2.99Å; S659-D662 WeakPolarHBondContact OG-CB 3.16Å; S659-D662 PolarHBondContact OG-N 2.79Å; S659-D662 PolarHBondContact OG-OD2 3.04Å; S659-S663 WeakPolarHBondContact O-CB 3.35Å; S659-S663 PolarHBondContact O-N 3.38Å; S659-S663 PolarHBondContact O-OG 2.95Å
660V61.2Low64.1Low68 Ų6845.7 Ų45.741%0.41226%0.26SS..Hα-helixtrans-61.5-44.9-174.4177.70000112.1V664 Q692 L693V660-V664 WeakPolarHBondContact O-CG2 3.26Å; V660-V664 PolarHBondContact O-N 2.79Å; V660-V664 VanDerWaalsContact O-N 3.16Å; V660-Q692 WeakPolarHBondContact CG1-O 3.39Å; V660-Q692 HydrophobicContact CG2-CB 4.31Å; V660-Q692 VanDerWaalsContact CG2-O 3.26Å; V660-Q692 WeakPolarHBondContact CG2-O 3.32Å; V660-L693 HydrophobicContact CG1-CD2 4.33Å
661E62.2Low64Low158 Ų15845.1 Ų45.174%0.73826%0.259SS*.Hα-helixtrans-68.5-43.4179.7-64.5179.5176.500110.8S659 S663 V664 E665S659-E661 PolarHBondContact O-N 3.27Å; E661-S663 VanDerWaalsContact C-N 3.31Å; E661-S663 PolarHBondContact O-N 3.07Å; E661-V664 PolarHBondContact O-N 3.09Å; E661-E665 PolarHBondContact O-N 3.15Å
662D65.4Low64.2Low40 Ų4048.9 Ų48.921%0.21429%0.286CS..Hα-helixtrans-65.1-35.5178.5-65.1-36.7000112.6L633 S659 E665 C666L633-D662 HydrophobicContact CD1-CB 3.68Å; L633-D662 VanDerWaalsContact CD1-OD1 3.27Å; L633-D662 WeakPolarHBondContact CD1-OD1 3.43Å; L633-D662 VanDerWaalsContact CD1-OD2 3.23Å; L633-D662 WeakPolarHBondContact CD1-OD2 3.47Å; L633-D662 WeakPolarHBondContact CD2-OD1 3.45Å; S659-D662 WeakPolarHBondContact CB-OD2 3.48Å; S659-D662 PolarHBondContact O-N 2.99Å; S659-D662 WeakPolarHBondContact OG-CB 3.16Å; S659-D662 PolarHBondContact OG-N 2.79Å; S659-D662 PolarHBondContact OG-OD2 3.04Å; D662-E665 PolarHBondContact O-N 3.22Å; D662-C666 VanDerWaalsContact O-CB 3.23Å; D662-C666 WeakPolarHBondContact O-CB 3.32Å; D662-C666 PolarHBondContact O-N 2.84Å; D662-C666 PolarHBondContact O-SG 2.88Å
663S63.9Low64Low6 Ų652.3 Ų52.34%0.04232%0.315CS..Hα-helixtrans-71.1-41179-63.80000112F655 L658 S659 E661 C666 L667F655-S663 PolarHBondContact O-OG 2.63Å; L658-S663 WeakPolarHBondContact CB-OG 3.37Å; S659-S663 WeakPolarHBondContact O-CB 3.35Å; S659-S663 PolarHBondContact O-N 3.38Å; S659-S663 PolarHBondContact O-OG 2.95Å; E661-S663 VanDerWaalsContact C-N 3.31Å; E661-S663 PolarHBondContact O-N 3.07Å; S663-C666 PolarHBondContact O-N 2.65Å; S663-L667 VanDerWaalsContact O-CB 3.29Å; S663-L667 WeakPolarHBondContact O-CB 3.45Å; S663-L667 VanDerWaalsContact O-CG 3.27Å; S663-L667 WeakPolarHBondContact O-CG 3.41Å; S663-L667 PolarHBondContact O-N 2.86Å
664V66.8Low64Low50 Ų5051.8 Ų51.830%0.30331%0.312SS..Hα-helixtrans-66.3-40.4173177.10000110.6V660 E661 L667 H668 L693V660-V664 WeakPolarHBondContact O-CG2 3.26Å; V660-V664 PolarHBondContact O-N 2.79Å; V660-V664 VanDerWaalsContact O-N 3.16Å; E661-V664 PolarHBondContact O-N 3.09Å; V664-L667 PolarHBondContact O-N 3.17Å; V664-H668 VanDerWaalsContact O-CB 3.26Å; V664-H668 WeakPolarHBondContact O-CB 3.29Å; V664-H668 PolarHBondContact O-N 2.96Å; V664-L693 HydrophobicContact CG2-CD2 3.57Å
665E66.5Low64Low105 Ų10555.8 Ų55.849%0.49133%0.333SS..Hα-helixtrans-65.1-42.7174.3-78.1-162.217000113K637 E661 D662 H668 A669K637-E665 IonicContact NZ-OE2 2.81Å; K637-E665 PolarHBondContact NZ-OE2 3.43Å; E661-E665 PolarHBondContact O-N 3.15Å; D662-E665 PolarHBondContact O-N 3.22Å; E665-H668 PolarHBondContact O-N 2.95Å; E665-A669 WeakPolarHBondContact O-CB 3.43Å; E665-A669 PolarHBondContact O-N 2.92Å
666C65.8Low64Low7 Ų766.9 Ų66.95%0.04738%0.375CS..Hα-helixtrans-68.3-35.1176.4-76.70000111.5F655 D662 S663 A669 M670F655-C666 HydrophobicContact CD1-CB 4.43Å; F655-C666 HydrophobicContact CE1-CB 3.35Å; F655-C666 HydrophobicContact CZ-CB 3.8Å; D662-C666 VanDerWaalsContact O-CB 3.23Å; D662-C666 WeakPolarHBondContact O-CB 3.32Å; D662-C666 PolarHBondContact O-N 2.84Å; D662-C666 PolarHBondContact O-SG 2.88Å; S663-C666 PolarHBondContact O-N 2.65Å; C666-A669 PolarHBondContact O-N 3.31Å; C666-M670 WeakPolarHBondContact O-CB 3.26Å; C666-M670 VanDerWaalsContact O-CG 3.31Å; C666-M670 WeakPolarHBondContact O-CG 3.47Å; C666-M670 PolarHBondContact O-N 3.21Å
667L69.3Low64.3Low11 Ų1172.6 Ų72.66%0.05840%0.395CS..Hα-helixtrans-66.6-41.3170.8-80.4166.2000112.1F655 S663 V664 M670 L671 C682 V685 L693F655-L667 HydrophobicContact CE1-CG 4.32Å; S663-L667 VanDerWaalsContact O-CB 3.29Å; S663-L667 WeakPolarHBondContact O-CB 3.45Å; S663-L667 VanDerWaalsContact O-CG 3.27Å; S663-L667 WeakPolarHBondContact O-CG 3.41Å; S663-L667 PolarHBondContact O-N 2.86Å; V664-L667 PolarHBondContact O-N 3.17Å; L667-M670 HydrophobicContact CD2-CE 3.64Å; L667-M670 HydrophobicContact CG-CE 4.34Å; L667-M670 PolarHBondContact O-N 3.4Å; L667-L671 WeakPolarHBondContact O-CB 3.39Å; L667-L671 WeakPolarHBondContact O-CG 3.3Å; L667-L671 PolarHBondContact O-N 3.08Å; L667-C682 HydrophobicContact CD2-CB 4.13Å; L667-V685 HydrophobicContact CD1-CG1 4.16Å; L667-V685 HydrophobicContact CD2-CB 4.01Å; L667-V685 HydrophobicContact CD2-CG1 3.84Å; L667-V685 HydrophobicContact CG-CG1 4.33Å; L667-L693 HydrophobicContact CD1-CD1 3.94Å
668H69Low64.8Low103 Ų10369.6 Ų69.648%0.47737%0.372SS..Hα-helixtrans-63.4-42.6174.4-174.2-81.7000111V664 E665 L671 S672V664-H668 VanDerWaalsContact O-CB 3.26Å; V664-H668 WeakPolarHBondContact O-CB 3.29Å; V664-H668 PolarHBondContact O-N 2.96Å; E665-H668 PolarHBondContact O-N 2.95Å; H668-L671 PolarHBondContact O-N 2.81Å; H668-S672 PolarHBondContact CE1-OG 3.19Å; H668-S672 PolarHBondContact ND1-OG 2.85Å; H668-S672 WeakPolarHBondContact O-CB 3.2Å; H668-S672 PolarHBondContact O-N 2.96Å; H668-S672 PolarHBondContact O-OG 2.9Å
669A66.3Low65Low59 Ų5972.1 Ų72.149%0.48839%0.385SS..Hα-helixtrans-64.6-40.1175.300000112.4E665 C666 A673E665-A669 WeakPolarHBondContact O-CB 3.43Å; E665-A669 PolarHBondContact O-N 2.92Å; C666-A669 PolarHBondContact O-N 3.31Å; A669-A673 WeakPolarHBondContact O-CB 3.47Å; A669-A673 PolarHBondContact O-N 3.2Å; A669-A673 VanDerWaalsContact O-N 3.13Å
670M66.4Low65.1Low16 Ų1676 Ų768%0.07940%0.397CS..Hα-helixtrans-67-44.2174.5-75.4-166.2-52.300113.1F655 C666 L667 A673 N674 N678F655-M670 HydrophobicContact CD2-CE 4.44Å; F655-M670 HydrophobicContact CE1-CE 3.87Å; F655-M670 HydrophobicContact CE2-CE 3.56Å; F655-M670 HydrophobicContact CE2-SD 3.75Å; F655-M670 HydrophobicContact CZ-CE 3.21Å; F655-M670 HydrophobicContact CZ-CG 4.46Å; F655-M670 HydrophobicContact CZ-SD 3.62Å; C666-M670 WeakPolarHBondContact O-CB 3.26Å; C666-M670 VanDerWaalsContact O-CG 3.31Å; C666-M670 WeakPolarHBondContact O-CG 3.47Å; C666-M670 PolarHBondContact O-N 3.21Å; L667-M670 HydrophobicContact CD2-CE 3.64Å; L667-M670 HydrophobicContact CG-CE 4.34Å; L667-M670 PolarHBondContact O-N 3.4Å; M670-A673 PolarHBondContact O-N 3.22Å; M670-N674 PolarHBondContact O-N 3.08Å; M670-N678 PolarHBondContact O-ND2 3.18Å
671L66.3Low65.4Low18 Ų1874.5 Ų74.59%0.09439%0.386CS..Hα-helixtrans-70.5-36.5178.4-76170.4000112.1L667 H668 A673 I675 C682 L701L667-L671 WeakPolarHBondContact O-CB 3.39Å; L667-L671 WeakPolarHBondContact O-CG 3.3Å; L667-L671 PolarHBondContact O-N 3.08Å; H668-L671 PolarHBondContact O-N 2.81Å; L671-A673 VanDerWaalsContact C-N 3.33Å; L671-A673 PolarHBondContact O-N 2.97Å; L671-I675 WeakPolarHBondContact O-CG1 3.48Å; L671-I675 PolarHBondContact O-N 2.85Å; L671-C682 HydrophobicContact CD1-CB 4.2Å; L671-C682 HydrophobicContact CD2-CB 3.77Å; L671-C682 VanDerWaalsContact CD2-SG 3.59Å; L671-C682 HydrophobicContact CG-CB 4.03Å; L671-C682 VanDerWaalsContact CG-SG 3.58Å; L671-L701 HydrophobicContact CD1-CD2 4.36Å
672S68.3Low65.7Low81 Ų8167 Ų6757%0.56635%0.351SS*.Hα-helixtrans-66.9-32.3175.4-62.90000112.6H668H668-S672 PolarHBondContact CE1-OG 3.19Å; H668-S672 PolarHBondContact ND1-OG 2.85Å; H668-S672 WeakPolarHBondContact O-CB 3.2Å; H668-S672 PolarHBondContact O-N 2.96Å; H668-S672 PolarHBondContact O-OG 2.9Å
673A62.8Low65.8Low81 Ų8166.4 Ų66.467%0.66935%0.349SS*.Hα-helixtrans-72-44.417800000113A669 M670 L671A669-A673 WeakPolarHBondContact O-CB 3.47Å; A669-A673 PolarHBondContact O-N 3.2Å; A669-A673 VanDerWaalsContact O-N 3.13Å; M670-A673 PolarHBondContact O-N 3.22Å; L671-A673 VanDerWaalsContact C-N 3.33Å; L671-A673 PolarHBondContact O-N 2.97Å
674N62.3Low65.9Low77 Ų7770.6 Ų70.641%0.41237%0.368SS..  trans-161.795.8177-152.3-15.3000114.8M670 R676 Q677 N678M670-N674 PolarHBondContact O-N 3.08Å; N674-R676 PolarHBondContact O-N 3.32Å; N674-Q677 PolarHBondContact ND2-OE1 3.45Å; N674-N678 VanDerWaalsContact O-CB 3.28Å; N674-N678 WeakPolarHBondContact O-CB 3.23Å; N674-N678 PolarHBondContact O-N 3.13Å; N674-N678 VanDerWaalsContact O-N 3.1Å
675I60.8Low65.9Low92 Ų9268.3 Ų68.347%0.47235%0.354SS..Hα-helixtrans-59.9-43.6-174.4-60.9171.8000112.9L671 Q677 L679L671-I675 WeakPolarHBondContact O-CG1 3.48Å; L671-I675 PolarHBondContact O-N 2.85Å; I675-Q677 PolarHBondContact O-N 3.27Å; I675-L679 HydrophobicContact CG2-CD1 4.36Å; I675-L679 WeakPolarHBondContact O-CB 3.36Å; I675-L679 PolarHBondContact O-N 3.5Å
676R62.8Low65.8Low236 Ų23663.4 Ų63.489%0.89133%0.331SS*.Hα-helixtrans-70.5-36.3-171.3-76.2-175.1-173.9172.82.9114.2N674N674-R676 PolarHBondContact O-N 3.32Å
677Q62.8Low65.8Low145 Ų14564.4 Ų64.468%0.67834%0.338SS*.Hα-helixtrans-83.4-35.8178.3-81.8178.5-28.400111.5N674 I675N674-Q677 PolarHBondContact ND2-OE1 3.45Å; I675-Q677 PolarHBondContact O-N 3.27Å
678N66.7Low65.5Low28 Ų2868.7 Ų68.715%0.1536%0.356CS..Hα-helixtrans-90.4-13-174.2-61-17000113.3M670 N674 Q680 L681 C682M670-N678 PolarHBondContact O-ND2 3.18Å; N674-N678 VanDerWaalsContact O-CB 3.28Å; N674-N678 WeakPolarHBondContact O-CB 3.23Å; N674-N678 PolarHBondContact O-N 3.13Å; N674-N678 VanDerWaalsContact O-N 3.1Å; N678-Q680 VanDerWaalsContact C-N 3.34Å; N678-Q680 PolarHBondContact O-N 3.01Å; N678-L681 CarbonylContact O-C 3.5Å; N678-L681 PolarHBondContact O-N 2.9Å; N678-C682 VanDerWaalsContact O-CB 3.29Å; N678-C682 WeakPolarHBondContact O-CB 3.47Å; N678-C682 PolarHBondContact O-N 2.98Å; N678-C682 PolarHBondContact O-SG 3.3Å
679L66.2Low65.2Low74 Ų7465.2 Ų65.239%0.38734%0.339SS..Hα-helixtrans-57.5-44.6-179.4-16781000112.2I675 C682 V683I675-L679 HydrophobicContact CG2-CD1 4.36Å; I675-L679 WeakPolarHBondContact O-CB 3.36Å; I675-L679 PolarHBondContact O-N 3.5Å; L679-C682 PolarHBondContact O-N 3.15Å; L679-V683 HydrophobicContact CG-CG2 4.43Å; L679-V683 WeakPolarHBondContact O-CB 3.35Å; L679-V683 WeakPolarHBondContact O-CG2 3.26Å; L679-V683 PolarHBondContact O-N 3.16Å
680Q65.9Low65Low142 Ų14263.1 Ų63.166%0.66432%0.319SS*.Hα-helixtrans-68.3-38.8-179.3-168.8170.7-700111.2N678 Q684N678-Q680 VanDerWaalsContact C-N 3.34Å; N678-Q680 PolarHBondContact O-N 3.01Å; Q680-Q684 WeakPolarHBondContact O-CB 3.28Å; Q680-Q684 VanDerWaalsContact O-CG 3.24Å; Q680-Q684 WeakPolarHBondContact O-CG 3.34Å; Q680-Q684 PolarHBondContact O-N 3.49Å
681L67.9Low64.5Low35 Ų3569.3 Ų69.318%0.18335%0.348CS..Hα-helixtrans-68-41.2175.2-145.597.7000111.3P648 V652 N678 Q684 V685P648-L681 HydrophobicContact CB-CD1 3.9Å; V652-L681 HydrophobicContact CG2-CD1 4.41Å; V652-L681 HydrophobicContact CG2-CD2 4.4Å; V652-L681 HydrophobicContact CG2-CG 4.03Å; N678-L681 CarbonylContact O-C 3.5Å; N678-L681 PolarHBondContact O-N 2.9Å; L681-Q684 CarbonylContact O-C 3.58Å; L681-Q684 WeakPolarHBondContact O-CB 3.3Å; L681-Q684 PolarHBondContact O-N 3.1Å; L681-V685 VanDerWaalsContact O-CG2 3.28Å; L681-V685 WeakPolarHBondContact O-CG2 3.17Å; L681-V685 PolarHBondContact O-N 3.46Å
682C67.8Low64.1Low2 Ų273.9 Ų73.91%0.01437%0.369CS..Hα-helixtrans-72.5-34.7179.5-64.90000112.1L667 L671 N678 L679 Q684 V685 A686L667-C682 HydrophobicContact CD2-CB 4.13Å; L671-C682 HydrophobicContact CD1-CB 4.2Å; L671-C682 HydrophobicContact CD2-CB 3.77Å; L671-C682 VanDerWaalsContact CD2-SG 3.59Å; L671-C682 HydrophobicContact CG-CB 4.03Å; L671-C682 VanDerWaalsContact CG-SG 3.58Å; N678-C682 VanDerWaalsContact O-CB 3.29Å; N678-C682 WeakPolarHBondContact O-CB 3.47Å; N678-C682 PolarHBondContact O-N 2.98Å; N678-C682 PolarHBondContact O-SG 3.3Å; L679-C682 PolarHBondContact O-N 3.15Å; C682-Q684 VanDerWaalsContact C-N 3.32Å; C682-V685 PolarHBondContact O-N 2.86Å; C682-A686 WeakPolarHBondContact O-CB 3.37Å; C682-A686 PolarHBondContact O-N 2.62Å
683V67.1Low63.7Low26 Ų2670.6 Ų70.616%0.15835%0.345CS..Hα-helixtrans-64.2-41.1168171.30000109.3L679 A686 S687 F702L679-V683 HydrophobicContact CG-CG2 4.43Å; L679-V683 WeakPolarHBondContact O-CB 3.35Å; L679-V683 WeakPolarHBondContact O-CG2 3.26Å; L679-V683 PolarHBondContact O-N 3.16Å; V683-A686 PolarHBondContact O-N 2.97Å; V683-S687 WeakPolarHBondContact O-CA 3.41Å; V683-S687 WeakPolarHBondContact O-CB 3.5Å; V683-S687 PolarHBondContact O-N 2.97Å; V683-S687 PolarHBondContact O-OG 3.27Å; V683-F702 HydrophobicContact CG2-CE1 4.12Å; V683-F702 HydrophobicContact CG2-CZ 4.19Å
684Q65.7Low63.5Low95 Ų9568.1 Ų68.144%0.44433%0.328SS..Hα-helixtrans-65.3-40.9174.9-75.9172.5-10.900113.3Q680 L681 C682 K688Q680-Q684 WeakPolarHBondContact O-CB 3.28Å; Q680-Q684 VanDerWaalsContact O-CG 3.24Å; Q680-Q684 WeakPolarHBondContact O-CG 3.34Å; Q680-Q684 PolarHBondContact O-N 3.49Å; L681-Q684 CarbonylContact O-C 3.58Å; L681-Q684 WeakPolarHBondContact O-CB 3.3Å; L681-Q684 PolarHBondContact O-N 3.1Å; C682-Q684 VanDerWaalsContact C-N 3.32Å; Q684-K688 WeakPolarHBondContact O-CB 3.32Å; Q684-K688 PolarHBondContact O-N 2.75Å; Q684-K688 VanDerWaalsContact O-N 3.07Å
685V66.6Low63.5Low1 Ų166.1 Ų66.11%0.00632%0.318CS..Hα-helixtrans-67.9-45175.2177.60000110.4V652 F655 L667 L681 C682 K688 Y689V652-V685 HydrophobicContact CB-CG2 4.29Å; V652-V685 HydrophobicContact CG1-CG2 4.28Å; V652-V685 HydrophobicContact CG2-CG2 3.82Å; F655-V685 HydrophobicContact CB-CG1 3.89Å; F655-V685 HydrophobicContact CD1-CG1 4.37Å; F655-V685 HydrophobicContact CG-CG1 4.08Å; L667-V685 HydrophobicContact CD1-CG1 4.16Å; L667-V685 HydrophobicContact CD2-CB 4.01Å; L667-V685 HydrophobicContact CD2-CG1 3.84Å; L667-V685 HydrophobicContact CG-CG1 4.33Å; L681-V685 VanDerWaalsContact O-CG2 3.28Å; L681-V685 WeakPolarHBondContact O-CG2 3.17Å; L681-V685 PolarHBondContact O-N 3.46Å; C682-V685 PolarHBondContact O-N 2.86Å; V685-K688 PolarHBondContact O-N 2.88Å; V685-K688 VanDerWaalsContact O-N 3.12Å; V685-Y689 HydrophobicContact CG1-CD2 3.77Å; V685-Y689 HydrophobicContact CG1-CE2 4.21Å; V685-Y689 WeakPolarHBondContact O-CD2 3.49Å; V685-Y689 PolarHBondContact O-N 3.1Å
686A65.4Low63.7Low2 Ų268.5 Ų68.52%0.01733%0.327CS..Hα-helixtrans-63.4-47.6177.200000110.9C682 V683 K688 Y689 H690 L698 F702 F714C682-A686 WeakPolarHBondContact O-CB 3.37Å; C682-A686 PolarHBondContact O-N 2.62Å; V683-A686 PolarHBondContact O-N 2.97Å; A686-K688 PolarHBondContact O-N 2.81Å; A686-Y689 PolarHBondContact O-N 2.97Å; A686-H690 VanDerWaalsContact O-CA 3.31Å; A686-H690 WeakPolarHBondContact O-CA 3.4Å; A686-H690 WeakPolarHBondContact O-CB 3.35Å; A686-H690 PolarHBondContact O-N 2.84Å; A686-L698 HydrophobicContact CB-CD1 4.38Å; A686-L698 HydrophobicContact CB-CD2 4.3Å; A686-F702 HydrophobicContact CB-CE2 3.94Å; A686-F702 HydrophobicContact CB-CZ 4Å; A686-F714 HydrophobicContact CB-CD2 4.06Å; A686-F714 HydrophobicContact CB-CE2 3.68Å
687S65.6Low63.7Low29 Ų2959.8 Ų59.820%0.20331%0.306CS..Hα-helixtrans-60.9-20.1174.2-71.10000113.3V683 H690 S717V683-S687 WeakPolarHBondContact O-CA 3.41Å; V683-S687 WeakPolarHBondContact O-CB 3.5Å; V683-S687 PolarHBondContact O-N 2.97Å; V683-S687 PolarHBondContact O-OG 3.27Å; S687-H690 PolarHBondContact O-CD2 2.92Å; S687-S717 VanDerWaalsContact CB-OG 3.28Å; S687-S717 WeakPolarHBondContact CB-OG 3.29Å; S687-S717 PolarHBondContact OG-OG 3.18Å
688K63.7Low63.9Low100 Ų10053.2 Ų53.244%0.43528%0.275SS..Hα-helixtrans-97.3-31.4-179.6-168174-174.9166.30113.9V652 N653 Q684 V685 A686V652-K688 HydrophobicContact CG1-CD 3.54Å; N653-K688 WeakPolarHBondContact OD1-CE 3.37Å; N653-K688 PolarHBondContact OD1-NZ 2.77Å; Q684-K688 WeakPolarHBondContact O-CB 3.32Å; Q684-K688 PolarHBondContact O-N 2.75Å; Q684-K688 VanDerWaalsContact O-N 3.07Å; V685-K688 PolarHBondContact O-N 2.88Å; V685-K688 VanDerWaalsContact O-N 3.12Å; A686-K688 PolarHBondContact O-N 2.81Å
689Y61.3Low63.9Low31 Ų3153 Ų5312%0.12228%0.275CS..Hα-helixtrans-117.122.3-179.9-56.6-67.5000113.7V652 N653 F655 G656 V685 A686 E691 Q692 L693V652-Y689 WeakPolarHBondContact O-CE2 3.27Å; V652-Y689 VanDerWaalsContact O-CZ 3.28Å; V652-Y689 PolarHBondContact O-OH 2.76Å; N653-Y689 VanDerWaalsContact CA-OH 3.23Å; N653-Y689 WeakPolarHBondContact CA-OH 3.36Å; N653-Y689 PolarHBondContact O-OH 3.13Å; F655-Y689 HydrophobicContact CB-CD2 4.27Å; F655-Y689 HydrophobicContact CB-CE2 3.89Å; G656-Y689 PolarHBondContact N-OH 3.32Å; V685-Y689 HydrophobicContact CG1-CD2 3.77Å; V685-Y689 HydrophobicContact CG1-CE2 4.21Å; V685-Y689 WeakPolarHBondContact O-CD2 3.49Å; V685-Y689 PolarHBondContact O-N 3.1Å; A686-Y689 PolarHBondContact O-N 2.97Å; Y689-E691 PolarHBondContact O-N 2.99Å; Y689-E691 VanDerWaalsContact O-N 3.09Å; Y689-Q692 PolarHBondContact O-N 3.31Å; Y689-L693 WeakPolarHBondContact O-CG 3.3Å; Y689-L693 PolarHBondContact O-N 2.98Å
690H61.8Low63.9Low14 Ų1455.9 Ų55.97%0.06529%0.286CS..Hα-helixtrans-58-24.8-176.565.386.2000114.8A686 S687 G694 T695 L698 F714 I718A686-H690 VanDerWaalsContact O-CA 3.31Å; A686-H690 WeakPolarHBondContact O-CA 3.4Å; A686-H690 WeakPolarHBondContact O-CB 3.35Å; A686-H690 PolarHBondContact O-N 2.84Å; S687-H690 PolarHBondContact O-CD2 2.92Å; H690-G694 PolarHBondContact O-N 3.13Å; H690-T695 HydrophobicContact CB-CG2 4.43Å; H690-T695 PolarHBondContact O-N 2.81Å; H690-L698 HydrophobicContact CB-CD1 4.04Å; H690-F714 HydrophobicContact CB-CE2 4.07Å; H690-F714 HydrophobicContact CB-CZ 3.96Å; H690-I718 HydrophobicContact CB-CD1 3.47Å; H690-I718 VanDerWaalsContact CB-CD1 3.47Å; H690-I718 HydrophobicContact CB-CG1 4.19Å; H690-I718 VanDerWaalsContact CG-CD1 3.49Å
691E57.1Low64.1Low147 Ų14750.8 Ų50.869%0.68726%0.264SS*.Hα-helixtrans-76.5-40.2180-61.8-169.7151.300112.5Y689Y689-E691 PolarHBondContact O-N 2.99Å; Y689-E691 VanDerWaalsContact O-N 3.09Å
692Q57.2Low64.1Low114 Ų11449.7 Ų49.753%0.53326%0.258SS..Hα-helixtrans-77.3-36.2-179.2-70.7175.8-18.400111.6V660 Y689 G694V660-Q692 WeakPolarHBondContact CG1-O 3.39Å; V660-Q692 HydrophobicContact CG2-CB 4.31Å; V660-Q692 VanDerWaalsContact CG2-O 3.26Å; V660-Q692 WeakPolarHBondContact CG2-O 3.32Å; Y689-Q692 PolarHBondContact O-N 3.31Å; Q692-G694 VanDerWaalsContact C-N 3.35Å
693L59.5Low64.1Low12 Ų1254.3 Ų54.36%0.06328%0.279CS..Hα-helixtrans-81.9-12.2-176.8-61.4166000113.8V660 V664 L667 Y689 L698V660-L693 HydrophobicContact CG1-CD2 4.33Å; V664-L693 HydrophobicContact CG2-CD2 3.57Å; L667-L693 HydrophobicContact CD1-CD1 3.94Å; Y689-L693 WeakPolarHBondContact O-CG 3.3Å; Y689-L693 PolarHBondContact O-N 2.98Å; L693-L698 HydrophobicContact CB-CD1 3.84Å; L693-L698 HydrophobicContact CB-CD2 4.39Å; L693-L698 HydrophobicContact CB-CG 4.14Å; L693-L698 HydrophobicContact CD1-CD1 4.41Å
694G58.8Low64.2Low29 Ų2957.1 Ų57.130%0.29930%0.299SS..  trans81.8116.8-177.200000112.7H690 Q692 Q696 A697 L698H690-G694 PolarHBondContact O-N 3.13Å; Q692-G694 VanDerWaalsContact C-N 3.35Å; G694-Q696 VanDerWaalsContact C-N 3.25Å; G694-Q696 PolarHBondContact O-N 3.1Å; G694-A697 PolarHBondContact O-N 3.04Å; G694-L698 PolarHBondContact O-N 2.97Å
695T62.7Low64Low35 Ų3558.5 Ų58.522%0.21530%0.304CS..Hα-helixtrans-61.3-32.8179.748.40000112.6H690 V699H690-T695 HydrophobicContact CB-CG2 4.43Å; H690-T695 PolarHBondContact O-N 2.81Å; T695-V699 WeakPolarHBondContact O-CB 3.3Å; T695-V699 WeakPolarHBondContact O-CG2 3.48Å; T695-V699 PolarHBondContact O-N 3.18Å
696Q64.7Low63.7Low141 Ų14167 Ų6766%0.65934%0.341SS*.Hα-helixtrans-70.1-45.4175.9-68.9-179.8-4.400112.1G694 L698 V699 E700G694-Q696 VanDerWaalsContact C-N 3.25Å; G694-Q696 PolarHBondContact O-N 3.1Å; Q696-L698 VanDerWaalsContact C-N 3.33Å; Q696-L698 PolarHBondContact O-N 3.43Å; Q696-V699 PolarHBondContact O-N 3.38Å; Q696-E700 WeakPolarHBondContact O-CB 3.41Å; Q696-E700 WeakPolarHBondContact O-CG 3.33Å; Q696-E700 PolarHBondContact O-N 3.4Å
697A62.9Low63.7Low54 Ų5468.9 Ų68.945%0.44635%0.354SS..Hα-helixtrans-64.5-37.5177.500000112G694 L701G694-A697 PolarHBondContact O-N 3.04Å; A697-L701 WeakPolarHBondContact O-CB 3.47Å; A697-L701 PolarHBondContact O-N 3.06Å
698L67.1Low63.5Low6 Ų676.3 Ų76.33%0.03138%0.379CS..Hα-helixtrans-72-38.4174.1-69.8173.6000112.7A686 H690 L693 G694 Q696 L701 F702 F714A686-L698 HydrophobicContact CB-CD1 4.38Å; A686-L698 HydrophobicContact CB-CD2 4.3Å; H690-L698 HydrophobicContact CB-CD1 4.04Å; L693-L698 HydrophobicContact CB-CD1 3.84Å; L693-L698 HydrophobicContact CB-CD2 4.39Å; L693-L698 HydrophobicContact CB-CG 4.14Å; L693-L698 HydrophobicContact CD1-CD1 4.41Å; G694-L698 PolarHBondContact O-N 2.97Å; Q696-L698 VanDerWaalsContact C-N 3.33Å; Q696-L698 PolarHBondContact O-N 3.43Å; L698-L701 PolarHBondContact O-N 3.03Å; L698-F702 WeakPolarHBondContact O-CD2 3.27Å; L698-F702 PolarHBondContact O-N 3Å; L698-F714 HydrophobicContact CB-CE1 4.2Å; L698-F714 HydrophobicContact CB-CZ 3.71Å; L698-F714 HydrophobicContact CD1-CE2 4.08Å; L698-F714 HydrophobicContact CD1-CZ 3.71Å; L698-F714 HydrophobicContact CG-CZ 4.37Å
699V66.3Low63.4Low25 Ų2579.4 Ų79.415%0.15239%0.392CS..Hα-helixtrans-64.1-43.6173.8165.20000110.3T695 Q696 F702 E703 L711 F714 L715T695-V699 WeakPolarHBondContact O-CB 3.3Å; T695-V699 WeakPolarHBondContact O-CG2 3.48Å; T695-V699 PolarHBondContact O-N 3.18Å; Q696-V699 PolarHBondContact O-N 3.38Å; V699-F702 PolarHBondContact O-N 3.5Å; V699-E703 HydrophobicContact CG1-CG 4.27Å; V699-E703 VanDerWaalsContact O-CB 3.24Å; V699-E703 WeakPolarHBondContact O-CB 3.48Å; V699-E703 VanDerWaalsContact O-CG 3.28Å; V699-E703 WeakPolarHBondContact O-CG 3.39Å; V699-E703 PolarHBondContact O-N 3.32Å; V699-L711 HydrophobicContact CB-CD1 4.49Å; V699-L711 HydrophobicContact CG1-CD1 4.17Å; V699-L711 HydrophobicContact CG2-CD1 4.24Å; V699-F714 HydrophobicContact CG2-CE1 4.27Å; V699-L715 HydrophobicContact CG2-CD2 4.45Å
700E67.4Low63.4Low133 Ų13378.3 Ų78.362%0.62139%0.391SS*.Hα-helixtrans-63.8-40.8173.1-74.8-179.6-179.700111.9Q696 E703 S704Q696-E700 WeakPolarHBondContact O-CB 3.41Å; Q696-E700 WeakPolarHBondContact O-CG 3.33Å; Q696-E700 PolarHBondContact O-N 3.4Å; E700-E703 PolarHBondContact O-N 2.9Å; E700-S704 VanDerWaalsContact O-CB 3.25Å; E700-S704 WeakPolarHBondContact O-CB 3.29Å; E700-S704 PolarHBondContact O-N 3.44Å; E700-S704 PolarHBondContact O-OG 2.61Å
701L68.9Low63.7Low36 Ų3678.6 Ų78.619%0.18839%0.393CS..Hα-helixtrans-60.4-47.7174.7-170.5133.4000110.7L671 A697 L698 S704 F705L671-L701 HydrophobicContact CD1-CD2 4.36Å; A697-L701 WeakPolarHBondContact O-CB 3.47Å; A697-L701 PolarHBondContact O-N 3.06Å; L698-L701 PolarHBondContact O-N 3.03Å; L701-S704 PolarHBondContact O-OG 2.62Å; L701-F705 WeakPolarHBondContact O-CD2 3.33Å; L701-F705 PolarHBondContact O-N 2.83Å
702F68.1Low64Low12 Ų1273.4 Ų73.45%0.05337%0.368CS..Hα-helixtrans-73.7-30.8177.7-72.9-63000114.5V683 A686 L698 V699 K706 S707 L711 F714V683-F702 HydrophobicContact CG2-CE1 4.12Å; V683-F702 HydrophobicContact CG2-CZ 4.19Å; A686-F702 HydrophobicContact CB-CE2 3.94Å; A686-F702 HydrophobicContact CB-CZ 4Å; L698-F702 WeakPolarHBondContact O-CD2 3.27Å; L698-F702 PolarHBondContact O-N 3Å; V699-F702 PolarHBondContact O-N 3.5Å; F702-K706 PolarHBondContact O-N 3.27Å; F702-S707 PolarHBondContact O-N 3.45Å; F702-L711 HydrophobicContact CB-CD1 4.27Å; F702-F714 HydrophobicContact CD2-CD1 4.36Å; F702-F714 HydrophobicContact CD2-CG 4.37Å; F702-F714 HydrophobicContact CE2-CD1 4.5Å; F702-F714 AromaticContact CE2-CD2 3.99Å; F702-F714 HydrophobicContact CE2-CD2 3.99Å; F702-F714 HydrophobicContact CE2-CE2 4.18Å; F702-F714 HydrophobicContact CE2-CG 4.15Å
703E68.1Low64.5Low99 Ų9975.2 Ų75.246%0.46337%0.371SS..Hα-helixtrans-71.2-35.9173.3-77.5-176.5170.100111.8V699 E700 F705 K706 L711V699-E703 HydrophobicContact CG1-CG 4.27Å; V699-E703 VanDerWaalsContact O-CB 3.24Å; V699-E703 WeakPolarHBondContact O-CB 3.48Å; V699-E703 VanDerWaalsContact O-CG 3.28Å; V699-E703 WeakPolarHBondContact O-CG 3.39Å; V699-E703 PolarHBondContact O-N 3.32Å; E700-E703 PolarHBondContact O-N 2.9Å; E703-F705 PolarHBondContact O-N 2.99Å; E703-K706 WeakPolarHBondContact O-CA 3.17Å; E703-K706 PolarHBondContact O-N 3.48Å; E703-L711 HydrophobicContact CG-CD1 4.39Å
704S69.1Low64.8Low84 Ų8474.7 Ų74.759%0.58737%0.368SS*.Hα-helixtrans-61.2-3217577.30000112.4E700 L701E700-S704 VanDerWaalsContact O-CB 3.25Å; E700-S704 WeakPolarHBondContact O-CB 3.29Å; E700-S704 PolarHBondContact O-N 3.44Å; E700-S704 PolarHBondContact O-OG 2.61Å; L701-S704 PolarHBondContact O-OG 2.62Å
705F61.5Low65.1Low125 Ų12573.9 Ų73.955%0.54836%0.357SS..THydrogen-bonded Turntrans-92.46.7172.7-67.7-76.4000114.1L701 E703L701-F705 WeakPolarHBondContact O-CD2 3.33Å; L701-F705 PolarHBondContact O-N 2.83Å; E703-F705 PolarHBondContact O-N 2.99Å
706K60Low65.3Low178 Ų17873 Ų7377%0.77436%0.355SS*.THydrogen-bonded Turntrans54.945.2173.9-65.1-175.1178.8177.70117.2F702 E703F702-K706 PolarHBondContact O-N 3.27Å; E703-K706 WeakPolarHBondContact O-CA 3.17Å; E703-K706 PolarHBondContact O-N 3.48Å
707S65.9Low65.1Low42 Ų4268.1 Ų68.129%0.29434%0.336SS..  trans-113.288.7-177.6-171.20000114.6F702 K709 G710 L711F702-S707 PolarHBondContact O-N 3.45Å; S707-K709 VanDerWaalsContact C-N 3.3Å; S707-K709 PolarHBondContact O-N 3.38Å; S707-G710 PolarHBondContact O-N 3.44Å; S707-G710 PolarHBondContact OG-N 3.12Å; S707-L711 PolarHBondContact O-N 3.29Å
708Y61Low65Low185 Ų18565.5 Ų65.573%0.72532%0.315SS*.Hα-helixtrans-68.1-24.4176.7-61.4-72.8000114.2F712Y708-F712 WeakPolarHBondContact O-CB 3.48Å; Y708-F712 PolarHBondContact O-N 2.64Å
709K61.6Low64.9Low165 Ų16565.2 Ų65.272%0.71731%0.314SS*.Hα-helixtrans-72.4-42.4170.3-76.1-175.6177.6-179.40110.9S707 L711 F712 Y713S707-K709 VanDerWaalsContact C-N 3.3Å; S707-K709 PolarHBondContact O-N 3.38Å; K709-L711 VanDerWaalsContact C-N 3.29Å; K709-L711 PolarHBondContact O-N 2.84Å; K709-F712 PolarHBondContact O-N 3.1Å; K709-Y713 HydrophobicContact CB-CE2 4.39Å; K709-Y713 WeakPolarHBondContact O-CD2 3.39Å; K709-Y713 PolarHBondContact O-N 3.36Å
710G61.5Low64.7Low9 Ų967.2 Ų67.29%0.09332%0.323CS..Hα-helixtrans-59.4-42.7171.600000111.2S707 Y713 F714S707-G710 PolarHBondContact O-N 3.44Å; S707-G710 PolarHBondContact OG-N 3.12Å; G710-Y713 PolarHBondContact O-N 3.43Å; G710-F714 WeakPolarHBondContact O-CB 3.16Å; G710-F714 PolarHBondContact O-N 2.99Å
711L67.3Low64.2Low20 Ų2067.8 Ų67.811%0.10532%0.324CS..Hα-helixtrans-65.5-40.1175.6-152.987.4000112.8V699 F702 E703 S707 K709 L715V699-L711 HydrophobicContact CB-CD1 4.49Å; V699-L711 HydrophobicContact CG1-CD1 4.17Å; V699-L711 HydrophobicContact CG2-CD1 4.24Å; F702-L711 HydrophobicContact CB-CD1 4.27Å; E703-L711 HydrophobicContact CG-CD1 4.39Å; S707-L711 PolarHBondContact O-N 3.29Å; K709-L711 VanDerWaalsContact C-N 3.29Å; K709-L711 PolarHBondContact O-N 2.84Å; L711-L715 HydrophobicContact CD2-CD1 3.79Å; L711-L715 HydrophobicContact CG-CD1 3.74Å; L711-L715 HydrophobicContact CG-CG 4.17Å; L711-L715 WeakPolarHBondContact O-CA 3.37Å; L711-L715 WeakPolarHBondContact O-CB 3.48Å; L711-L715 WeakPolarHBondContact O-CG 3.44Å; L711-L715 PolarHBondContact O-N 3.45Å
712F64.2Low63.6Low37 Ų3766.9 Ų66.916%0.16232%0.32CS..Hα-helixtrans-68.2-38175.2176.7-100.6000112.6Y708 K709 G716 Y731Y708-F712 WeakPolarHBondContact O-CB 3.48Å; Y708-F712 PolarHBondContact O-N 2.64Å; K709-F712 PolarHBondContact O-N 3.1Å; F712-G716 VanDerWaalsContact O-CA 3.24Å; F712-G716 WeakPolarHBondContact O-CA 3.4Å; F712-G716 PolarHBondContact O-N 3.11Å; F712-Y731 HydrophobicContact CD2-CE2 4.12Å; F712-Y731 HydrophobicContact CE2-CE2 4.06Å
713Y68.1Low62.9Low153 Ų15373.7 Ų73.760%0.635%0.353SS*.Hα-helixtrans-74.3-37.5175.8-70.4-59000112.3K709 G710 S717K709-Y713 HydrophobicContact CB-CE2 4.39Å; K709-Y713 WeakPolarHBondContact O-CD2 3.39Å; K709-Y713 PolarHBondContact O-N 3.36Å; G710-Y713 PolarHBondContact O-N 3.43Å; Y713-S717 VanDerWaalsContact O-CB 3.31Å; Y713-S717 WeakPolarHBondContact O-CB 3.3Å; Y713-S717 PolarHBondContact O-N 3.43Å; Y713-S717 PolarHBondContact O-OG 2.88Å
714F66.4Low62.6Low0 Ų072.5 Ų72.50%035%0.349CS..Hα-helixtrans-68.2-54.6174.3176.1-106.6000111A686 H690 L698 V699 F702 G710 G716 S717 I718A686-F714 HydrophobicContact CB-CD2 4.06Å; A686-F714 HydrophobicContact CB-CE2 3.68Å; H690-F714 HydrophobicContact CB-CE2 4.07Å; H690-F714 HydrophobicContact CB-CZ 3.96Å; L698-F714 HydrophobicContact CB-CE1 4.2Å; L698-F714 HydrophobicContact CB-CZ 3.71Å; L698-F714 HydrophobicContact CD1-CE2 4.08Å; L698-F714 HydrophobicContact CD1-CZ 3.71Å; L698-F714 HydrophobicContact CG-CZ 4.37Å; V699-F714 HydrophobicContact CG2-CE1 4.27Å; F702-F714 HydrophobicContact CD2-CD1 4.36Å; F702-F714 HydrophobicContact CD2-CG 4.37Å; F702-F714 HydrophobicContact CE2-CD1 4.5Å; F702-F714 AromaticContact CE2-CD2 3.99Å; F702-F714 HydrophobicContact CE2-CD2 3.99Å; F702-F714 HydrophobicContact CE2-CE2 4.18Å; F702-F714 HydrophobicContact CE2-CG 4.15Å; G710-F714 WeakPolarHBondContact O-CB 3.16Å; G710-F714 PolarHBondContact O-N 2.99Å; F714-G716 VanDerWaalsContact C-N 3.31Å; F714-G716 PolarHBondContact O-N 3.41Å; F714-S717 PolarHBondContact O-N 3.17Å; F714-S717 VanDerWaalsContact O-N 3.1Å; F714-S717 PolarHBondContact O-OG 3.37Å; F714-I718 HydrophobicContact CD1-CD1 3.76Å; F714-I718 HydrophobicContact CD2-CD1 3.55Å; F714-I718 HydrophobicContact CE1-CD1 3.4Å; F714-I718 HydrophobicContact CE2-CD1 3.19Å; F714-I718 HydrophobicContact CE2-CG1 4.47Å; F714-I718 HydrophobicContact CG-CD1 3.83Å; F714-I718 HydrophobicContact CZ-CD1 3.1Å; F714-I718 WeakPolarHBondContact O-CB 3.47Å; F714-I718 WeakPolarHBondContact O-CD1 3.37Å; F714-I718 WeakPolarHBondContact O-CG1 3.35Å; F714-I718 PolarHBondContact O-N 3.01Å
715L65.3Low62.2Low13 Ų1371.2 Ų71.27%0.06834%0.339CS..Hα-helixtrans-64.4-35.8175-65.6174.7000111.2V699 L711 S717 I718 V719 V727 Y731V699-L715 HydrophobicContact CG2-CD2 4.45Å; L711-L715 HydrophobicContact CD2-CD1 3.79Å; L711-L715 HydrophobicContact CG-CD1 3.74Å; L711-L715 HydrophobicContact CG-CG 4.17Å; L711-L715 WeakPolarHBondContact O-CA 3.37Å; L711-L715 WeakPolarHBondContact O-CB 3.48Å; L711-L715 WeakPolarHBondContact O-CG 3.44Å; L711-L715 PolarHBondContact O-N 3.45Å; L715-S717 VanDerWaalsContact C-N 3.28Å; L715-S717 PolarHBondContact O-N 3.09Å; L715-I718 CarbonylContact O-C 3.49Å; L715-I718 PolarHBondContact O-N 3.48Å; L715-V719 HydrophobicContact CB-CG2 4.2Å; L715-V719 VanDerWaalsContact O-CB 3.24Å; L715-V719 WeakPolarHBondContact O-CB 3.35Å; L715-V719 WeakPolarHBondContact O-CG2 3.43Å; L715-V719 PolarHBondContact O-N 3.13Å; L715-V727 HydrophobicContact CD2-CG1 4.15Å; L715-Y731 HydrophobicContact CB-CD2 3.82Å; L715-Y731 HydrophobicContact CB-CE2 4.44Å
716G65Low62.2Low17 Ų1769.7 Ų69.718%0.17534%0.337CS..Hα-helixtrans-64.7-31.9173.400000113.5F712 F714 I718 Y731F712-G716 VanDerWaalsContact O-CA 3.24Å; F712-G716 WeakPolarHBondContact O-CA 3.4Å; F712-G716 PolarHBondContact O-N 3.11Å; F714-G716 VanDerWaalsContact C-N 3.31Å; F714-G716 PolarHBondContact O-N 3.41Å; G716-I718 VanDerWaalsContact C-N 3.33Å; G716-Y731 WeakPolarHBondContact CA-OH 3.48Å
717S62.4Low62.6Low37 Ų3762.1 Ų62.126%0.25931%0.305SS..Hα-helixtrans-73.4-25.1170.667.90000113.1S687 Y713 F714 L715 F721S687-S717 VanDerWaalsContact CB-OG 3.28Å; S687-S717 WeakPolarHBondContact CB-OG 3.29Å; S687-S717 PolarHBondContact OG-OG 3.18Å; Y713-S717 VanDerWaalsContact O-CB 3.31Å; Y713-S717 WeakPolarHBondContact O-CB 3.3Å; Y713-S717 PolarHBondContact O-N 3.43Å; Y713-S717 PolarHBondContact O-OG 2.88Å; F714-S717 PolarHBondContact O-N 3.17Å; F714-S717 VanDerWaalsContact O-N 3.1Å; F714-S717 PolarHBondContact O-OG 3.37Å; L715-S717 VanDerWaalsContact C-N 3.28Å; L715-S717 PolarHBondContact O-N 3.09Å; S717-F721 VanDerWaalsContact O-CD2 3.24Å; S717-F721 WeakPolarHBondContact O-CD2 3.22Å; S717-F721 WeakPolarHBondContact O-CE2 3.11Å
718I60.8Low62.6Low0 Ų060.2 Ų60.20%029%0.292CS..Hα-helixtrans-102.5-30.3-170.9-69.4170.1000113.2H690 F714 L715 G716 N720 F721 S722H690-I718 HydrophobicContact CB-CD1 3.47Å; H690-I718 VanDerWaalsContact CB-CD1 3.47Å; H690-I718 HydrophobicContact CB-CG1 4.19Å; H690-I718 VanDerWaalsContact CG-CD1 3.49Å; F714-I718 HydrophobicContact CD1-CD1 3.76Å; F714-I718 HydrophobicContact CD2-CD1 3.55Å; F714-I718 HydrophobicContact CE1-CD1 3.4Å; F714-I718 HydrophobicContact CE2-CD1 3.19Å; F714-I718 HydrophobicContact CE2-CG1 4.47Å; F714-I718 HydrophobicContact CG-CD1 3.83Å; F714-I718 HydrophobicContact CZ-CD1 3.1Å; F714-I718 WeakPolarHBondContact O-CB 3.47Å; F714-I718 WeakPolarHBondContact O-CD1 3.37Å; F714-I718 WeakPolarHBondContact O-CG1 3.35Å; F714-I718 PolarHBondContact O-N 3.01Å; L715-I718 CarbonylContact O-C 3.49Å; L715-I718 PolarHBondContact O-N 3.48Å; G716-I718 VanDerWaalsContact C-N 3.33Å; I718-N720 PolarHBondContact O-N 3.17Å; I718-F721 CarbonylContact O-C 3.57Å; I718-F721 WeakPolarHBondContact O-CA 3.47Å; I718-F721 PolarHBondContact O-N 2.66Å; I718-S722 PolarHBondContact O-N 3.13Å
719V63.8Low63Low0 Ų053.8 Ų53.80%027%0.27CS..THydrogen-bonded Turntrans-64.6-31.3-171.3166.70000111.8L715 F721 V727 H728 Y731 I747L715-V719 HydrophobicContact CB-CG2 4.2Å; L715-V719 VanDerWaalsContact O-CB 3.24Å; L715-V719 WeakPolarHBondContact O-CB 3.35Å; L715-V719 WeakPolarHBondContact O-CG2 3.43Å; L715-V719 PolarHBondContact O-N 3.13Å; V719-F721 PolarHBondContact O-N 3.17Å; V719-V727 HydrophobicContact CG2-CG1 4.1Å; V719-H728 PolarHBondContact O-CE1 3.37Å; V719-H728 PolarHBondContact O-NE2 2.95Å; V719-Y731 HydrophobicContact CB-CD1 3.6Å; V719-Y731 HydrophobicContact CB-CD2 4.35Å; V719-Y731 HydrophobicContact CB-CE1 3.83Å; V719-Y731 HydrophobicContact CB-CG 3.84Å; V719-Y731 HydrophobicContact CG1-CD1 3.32Å; V719-Y731 HydrophobicContact CG1-CE1 3.74Å; V719-Y731 HydrophobicContact CG1-CG 3.94Å; V719-Y731 HydrophobicContact CG2-CD1 3.57Å; V719-Y731 HydrophobicContact CG2-CD2 3.68Å; V719-Y731 HydrophobicContact CG2-CE1 4.17Å; V719-Y731 HydrophobicContact CG2-CE2 4.35Å; V719-Y731 HydrophobicContact CG2-CG 3.24Å; V719-I747 HydrophobicContact CG1-CG2 4.35Å
720N62.1Low63.4Low66 Ų6652 Ų5235%0.35326%0.262SS..THydrogen-bonded Turntrans-66.3-18.1174.1-60.7-34.7000112.9I718 R746I718-N720 PolarHBondContact O-N 3.17Å; N720-R746 PolarHBondContact ND2-NH2 3.01Å
721F56.3Low63.9Low146 Ų14651.7 Ų51.764%0.6426%0.258SS*.THydrogen-bonded Turntrans-114.5-25.6-175.4-56.8-73.1000114.4S717 I718 V719S717-F721 VanDerWaalsContact O-CD2 3.24Å; S717-F721 WeakPolarHBondContact O-CD2 3.22Å; S717-F721 WeakPolarHBondContact O-CE2 3.11Å; I718-F721 CarbonylContact O-C 3.57Å; I718-F721 WeakPolarHBondContact O-CA 3.47Å; I718-F721 PolarHBondContact O-N 2.66Å; V719-F721 PolarHBondContact O-N 3.17Å
722S57.3Low63.9Low16 Ų1651.1 Ų51.111%0.11226%0.255CS..  trans-69.1151178.1179.80000111.6I718 D724 H728I718-S722 PolarHBondContact O-N 3.13Å; S722-D724 PolarHBondContact OG-N 3.09Å; S722-H728 PolarHBondContact O-NE2 3.2Å
723Q53.9Low64.1Low156 Ų15653 Ų5373%0.72926%0.264SS*.  trans-1141.7171-59.4-168.62.200113.3P725 C753Q723-P725 WeakPolarHBondContact O-CD 3.35Å; Q723-C753 VanDerWaalsContact CA-CB 3.49Å; Q723-C753 HydrophobicContact CB-CB 4.05Å; Q723-C753 WeakPolarHBondContact O-CB 3.35Å
724D60.1Low64Low73 Ų7347.1 Ų47.139%0.3925%0.247SC..  trans-77.7118.1-173.6-157.2-7.4000110.1S722 D726 V727 H728S722-D724 PolarHBondContact OG-N 3.09Å; D724-D726 PolarHBondContact O-N 3.03Å; D724-D726 VanDerWaalsContact O-N 3.08Å; D724-V727 HydrophobicContact CB-CB 4.29Å; D724-V727 HydrophobicContact CB-CG2 3.9Å; D724-V727 PolarHBondContact O-N 3.46Å; D724-H728 PolarHBondContact O-CD2 3.09Å; D724-H728 PolarHBondContact O-N 3.2Å
725P60.9Low63.9Low58 Ų5847.1 Ų47.138%0.37725%0.247SC..Hα-helixtrans-58-30.6-170.3-25.433.2000113.8Q723 L729 C753Q723-P725 WeakPolarHBondContact O-CD 3.35Å; P725-L729 VanDerWaalsContact O-CB 3.31Å; P725-L729 WeakPolarHBondContact O-CB 3.33Å; P725-L729 PolarHBondContact O-N 3.37Å; P725-C753 WeakPolarHBondContact CA-O 3.44Å; P725-C753 WeakPolarHBondContact CG-O 3.49Å
726D63.1Low63.8Low93 Ų9349.6 Ų49.650%0.49727%0.265SS..Hα-helixtrans-76.4-28.8179.7-77.2-28000113D724 K730D724-D726 PolarHBondContact O-N 3.03Å; D724-D726 VanDerWaalsContact O-N 3.08Å; D726-K730 VanDerWaalsContact O-CB 3.24Å; D726-K730 WeakPolarHBondContact O-CB 3.27Å; D726-K730 VanDerWaalsContact O-CG 3.24Å; D726-K730 WeakPolarHBondContact O-CG 3.29Å; D726-K730 PolarHBondContact O-N 2.62Å
727V66.8Low63.8Low19 Ų1957.6 Ų57.612%0.11529%0.294CS..Hα-helixtrans-70-42175.4174.50000110.3L715 V719 D724 K730 Y731L715-V727 HydrophobicContact CD2-CG1 4.15Å; V719-V727 HydrophobicContact CG2-CG1 4.1Å; D724-V727 HydrophobicContact CB-CB 4.29Å; D724-V727 HydrophobicContact CB-CG2 3.9Å; D724-V727 PolarHBondContact O-N 3.46Å; V727-K730 PolarHBondContact O-N 3.31Å; V727-Y731 WeakPolarHBondContact O-CB 3.3Å; V727-Y731 PolarHBondContact O-N 3.22Å
728H67.2Low63.8Low2 Ų259.8 Ų59.81%0.00931%0.306CS..Hα-helixtrans-65.9-43.3175-76.7-97.8000111.7V719 S722 D724 Y731 I732 S751V719-H728 PolarHBondContact O-CE1 3.37Å; V719-H728 PolarHBondContact O-NE2 2.95Å; S722-H728 PolarHBondContact O-NE2 3.2Å; D724-H728 PolarHBondContact O-CD2 3.09Å; D724-H728 PolarHBondContact O-N 3.2Å; H728-Y731 PolarHBondContact O-N 3.36Å; H728-I732 WeakPolarHBondContact O-CB 3.38Å; H728-I732 VanDerWaalsContact O-CG1 3.22Å; H728-I732 WeakPolarHBondContact O-CG1 3.33Å; H728-I732 PolarHBondContact O-N 3.14Å; H728-S751 PolarHBondContact CE1-OG 3.37Å; H728-S751 WeakPolarHBondContact ND1-CB 3.42Å; H728-S751 PolarHBondContact ND1-OG 2.95Å
729L69.6Low63.7Low50 Ų5062.6 Ų62.626%0.26234%0.335SS..Hα-helixtrans-63.8-45176.3-170.2115.6000111.6P725 Y731 I732 Q733P725-L729 VanDerWaalsContact O-CB 3.31Å; P725-L729 WeakPolarHBondContact O-CB 3.33Å; P725-L729 PolarHBondContact O-N 3.37Å; L729-Y731 VanDerWaalsContact C-N 3.33Å; L729-Y731 PolarHBondContact O-N 3.2Å; L729-I732 PolarHBondContact O-N 3.42Å; L729-Q733 WeakPolarHBondContact O-CB 3.35Å; L729-Q733 VanDerWaalsContact O-CG 3.26Å; L729-Q733 WeakPolarHBondContact O-CG 3.43Å; L729-Q733 PolarHBondContact O-N 3.47Å
730K69.7Low63.9Low126 Ų12666.9 Ų66.955%0.54836%0.355SS..Hα-helixtrans-65.4-34.4176.9-77.8-179.7179.7-177.40112.5D726 V727 Q733 A734D726-K730 VanDerWaalsContact O-CB 3.24Å; D726-K730 WeakPolarHBondContact O-CB 3.27Å; D726-K730 VanDerWaalsContact O-CG 3.24Å; D726-K730 WeakPolarHBondContact O-CG 3.29Å; D726-K730 PolarHBondContact O-N 2.62Å; V727-K730 PolarHBondContact O-N 3.31Å; K730-Q733 PolarHBondContact O-N 3.45Å; K730-A734 WeakPolarHBondContact O-CB 3.32Å; K730-A734 PolarHBondContact O-N 3.32Å
731Y70.9Confident63.9Low4 Ų468.1 Ų68.12%0.01636%0.361CS..Hα-helixtrans-71.7-41.6174.1-176-114.3000113F712 L715 G716 V719 V727 H728 L729 Q733 A734 A735 I747F712-Y731 HydrophobicContact CD2-CE2 4.12Å; F712-Y731 HydrophobicContact CE2-CE2 4.06Å; L715-Y731 HydrophobicContact CB-CD2 3.82Å; L715-Y731 HydrophobicContact CB-CE2 4.44Å; G716-Y731 WeakPolarHBondContact CA-OH 3.48Å; V719-Y731 HydrophobicContact CB-CD1 3.6Å; V719-Y731 HydrophobicContact CB-CD2 4.35Å; V719-Y731 HydrophobicContact CB-CE1 3.83Å; V719-Y731 HydrophobicContact CB-CG 3.84Å; V719-Y731 HydrophobicContact CG1-CD1 3.32Å; V719-Y731 HydrophobicContact CG1-CE1 3.74Å; V719-Y731 HydrophobicContact CG1-CG 3.94Å; V719-Y731 HydrophobicContact CG2-CD1 3.57Å; V719-Y731 HydrophobicContact CG2-CD2 3.68Å; V719-Y731 HydrophobicContact CG2-CE1 4.17Å; V719-Y731 HydrophobicContact CG2-CE2 4.35Å; V719-Y731 HydrophobicContact CG2-CG 3.24Å; V727-Y731 WeakPolarHBondContact O-CB 3.3Å; V727-Y731 PolarHBondContact O-N 3.22Å; H728-Y731 PolarHBondContact O-N 3.36Å; L729-Y731 VanDerWaalsContact C-N 3.33Å; L729-Y731 PolarHBondContact O-N 3.2Å; Y731-Q733 VanDerWaalsContact C-N 3.25Å; Y731-Q733 PolarHBondContact O-N 3.44Å; Y731-A734 PolarHBondContact O-N 3.42Å; Y731-A734 VanDerWaalsContact O-N 3.16Å; Y731-A735 VanDerWaalsContact O-CB 3.31Å; Y731-A735 WeakPolarHBondContact O-CB 3.38Å; Y731-A735 PolarHBondContact O-N 3.28Å; Y731-I747 HydrophobicContact CD1-CD1 3.21Å; Y731-I747 HydrophobicContact CD1-CG1 3.85Å; Y731-I747 HydrophobicContact CE1-CD1 3.13Å; Y731-I747 HydrophobicContact CE1-CG1 3.56Å; Y731-I747 HydrophobicContact CG-CD1 4.46Å
732I69.1Low64.3Low7 Ų769.6 Ų69.64%0.03637%0.367CS..Hα-helixtrans-60.7-38.3172.7-68.5165.5000110.1H728 L729 C736 V744 I747H728-I732 WeakPolarHBondContact O-CB 3.38Å; H728-I732 VanDerWaalsContact O-CG1 3.22Å; H728-I732 WeakPolarHBondContact O-CG1 3.33Å; H728-I732 PolarHBondContact O-N 3.14Å; L729-I732 PolarHBondContact O-N 3.42Å; I732-C736 WeakPolarHBondContact O-CB 3.15Å; I732-C736 PolarHBondContact O-N 3Å; I732-V744 HydrophobicContact CG2-CG1 4.36Å; I732-I747 HydrophobicContact CD1-CG2 4.02Å; I732-I747 HydrophobicContact CG1-CB 4.46Å; I732-I747 HydrophobicContact CG1-CD1 4.19Å; I732-I747 HydrophobicContact CG1-CG2 3.95Å
733Q68.1Low64.7Low78 Ų7870.7 Ų70.736%0.36437%0.371SS..Hα-helixtrans-66.8-42.9173-72.2175.11.500112.9L729 K730 Y731 K737L729-Q733 WeakPolarHBondContact O-CB 3.35Å; L729-Q733 VanDerWaalsContact O-CG 3.26Å; L729-Q733 WeakPolarHBondContact O-CG 3.43Å; L729-Q733 PolarHBondContact O-N 3.47Å; K730-Q733 PolarHBondContact O-N 3.45Å; Y731-Q733 VanDerWaalsContact C-N 3.25Å; Y731-Q733 PolarHBondContact O-N 3.44Å; Q733-K737 WeakPolarHBondContact O-CB 3.43Å; Q733-K737 WeakPolarHBondContact O-CG 3.27Å; Q733-K737 PolarHBondContact O-N 3.39Å
734A64.4Low65.2Low29 Ų2963.7 Ų63.724%0.2434%0.338CS..Hα-helixtrans-65.1-38.6176.700000111.9K730 Y731 T738K730-A734 WeakPolarHBondContact O-CB 3.32Å; K730-A734 PolarHBondContact O-N 3.32Å; Y731-A734 PolarHBondContact O-N 3.42Å; Y731-A734 VanDerWaalsContact O-N 3.16Å; A734-T738 WeakPolarHBondContact O-CB 3.39Å; A734-T738 VanDerWaalsContact O-CG2 3.3Å; A734-T738 WeakPolarHBondContact O-CG2 3.3Å; A734-T738 PolarHBondContact O-N 3.07Å; A734-T738 VanDerWaalsContact O-N 3.14Å; A734-T738 PolarHBondContact O-OG1 3.29Å
735A66.1Low65.4Low0 Ų062.2 Ų62.20%033%0.329CS..Hα-helixtrans-71.8-40.817700000112.3Y731 T738 G739 Q740 V744Y731-A735 VanDerWaalsContact O-CB 3.31Å; Y731-A735 WeakPolarHBondContact O-CB 3.38Å; Y731-A735 PolarHBondContact O-N 3.28Å; A735-T738 WeakPolarHBondContact CA-OG1 3.3Å; A735-T738 PolarHBondContact O-N 3.02Å; A735-T738 PolarHBondContact O-OG1 3.33Å; A735-T738 VanDerWaalsContact O-OG1 3.07Å; A735-G739 PolarHBondContact O-N 3.4Å; A735-Q740 PolarHBondContact O-N 2.94Å; A735-Q740 VanDerWaalsContact O-N 3.1Å; A735-V744 HydrophobicContact CB-CG2 4.07Å
736C63.1Low65.8Low64 Ų6463.8 Ų63.843%0.43233%0.328SS..Hα-helixtrans-68.7-35.6177.7-158.60000112.1I732 G739I732-C736 WeakPolarHBondContact O-CB 3.15Å; I732-C736 PolarHBondContact O-N 3Å; C736-G739 PolarHBondContact O-N 3.42Å
737K64.4Low66Low185 Ų18559.4 Ų59.480%0.80430%0.304SS*.Hα-helixtrans-76.3-23.3175.4-73.8-178.4178.9178.20114.2Q733 G739Q733-K737 WeakPolarHBondContact O-CB 3.43Å; Q733-K737 WeakPolarHBondContact O-CG 3.27Å; Q733-K737 PolarHBondContact O-N 3.39Å; K737-G739 VanDerWaalsContact C-N 3.34Å
738T61.4Low65.8Low83 Ų8358.5 Ų58.551%0.50930%0.299SS..THydrogen-bonded Turntrans-89.20.2174490000113A734 A735A734-T738 WeakPolarHBondContact O-CB 3.39Å; A734-T738 VanDerWaalsContact O-CG2 3.3Å; A734-T738 WeakPolarHBondContact O-CG2 3.3Å; A734-T738 PolarHBondContact O-N 3.07Å; A734-T738 VanDerWaalsContact O-N 3.14Å; A734-T738 PolarHBondContact O-OG1 3.29Å; A735-T738 WeakPolarHBondContact CA-OG1 3.3Å; A735-T738 PolarHBondContact O-N 3.02Å; A735-T738 PolarHBondContact O-OG1 3.33Å; A735-T738 VanDerWaalsContact O-OG1 3.07Å
739G59.9Low65.7Low59 Ų5963.9 Ų63.961%0.60832%0.319SS*.THydrogen-bonded Turntrans81.313.8172.600000115.5A735 C736 K737 I741A735-G739 PolarHBondContact O-N 3.4Å; C736-G739 PolarHBondContact O-N 3.42Å; K737-G739 VanDerWaalsContact C-N 3.34Å; G739-I741 PolarHBondContact O-N 2.91Å
740Q67.1Low65.3Low90 Ų9066.3 Ų66.342%0.42133%0.329SS..  trans-96.281-174.7-63.3-162.76.900112.6A735 K742 E743 V744A735-Q740 PolarHBondContact O-N 2.94Å; A735-Q740 VanDerWaalsContact O-N 3.1Å; Q740-K742 VanDerWaalsContact C-N 3.35Å; Q740-K742 PolarHBondContact O-N 2.91Å; Q740-E743 HydrophobicContact CB-CB 4.39Å; Q740-E743 PolarHBondContact O-N 3.32Å; Q740-V744 PolarHBondContact O-N 3.21Å
741I61.7Low64.8Low93 Ų9360.9 Ų60.948%0.47731%0.307SS..Hα-helixtrans-65.6-32.4-177-59.7175.5000112.9G739 E743 V744 E745G739-I741 PolarHBondContact O-N 2.91Å; I741-E743 VanDerWaalsContact C-N 3.3Å; I741-E743 PolarHBondContact O-N 3.47Å; I741-V744 PolarHBondContact O-N 3.18Å; I741-E745 PolarHBondContact O-N 3.44Å
742K64.7Low64Low177 Ų17763.4 Ų63.477%0.7733%0.325SS*.Hα-helixtrans-65.7-32.1178-66.8-174.5177.7-176.40113Q740 E745 R746Q740-K742 VanDerWaalsContact C-N 3.35Å; Q740-K742 PolarHBondContact O-N 2.91Å; K742-E745 PolarHBondContact O-N 3.3Å; K742-R746 WeakPolarHBondContact O-CB 3.43Å; K742-R746 PolarHBondContact O-N 2.98Å
743E66.6Low63.5Low39 Ų3964.6 Ų64.618%0.18233%0.334CS..Hα-helixtrans-76.9-32.3177.9-153.664.6-172.300110.9Q740 I741 R746 I747Q740-E743 HydrophobicContact CB-CB 4.39Å; Q740-E743 PolarHBondContact O-N 3.32Å; I741-E743 VanDerWaalsContact C-N 3.3Å; I741-E743 PolarHBondContact O-N 3.47Å; E743-R746 WeakPolarHBondContact O-CB 3.46Å; E743-R746 PolarHBondContact O-N 3.22Å; E743-R746 WeakPolarHBondContact OE1-CD 3.31Å; E743-R746 IonicContact OE1-CZ 3.25Å; E743-R746 IonicContact OE1-NE 3.8Å; E743-R746 IonicContact OE1-NH1 3.41Å; E743-R746 PolarHBondContact OE1-NH1 2.85Å; E743-I747 HydrophobicContact CG-CD1 4.33Å; E743-I747 WeakPolarHBondContact O-CD1 3.08Å; E743-I747 WeakPolarHBondContact O-CG1 3.39Å; E743-I747 PolarHBondContact O-N 2.83Å
744V64.7Low63.2Low8 Ų861 Ų615%0.04832%0.317CS..Hα-helixtrans-63-43.5170.4-179.30000111.2I732 A735 Q740 I741 R746 I747 C748I732-V744 HydrophobicContact CG2-CG1 4.36Å; A735-V744 HydrophobicContact CB-CG2 4.07Å; Q740-V744 PolarHBondContact O-N 3.21Å; I741-V744 PolarHBondContact O-N 3.18Å; V744-R746 VanDerWaalsContact C-N 3.33Å; V744-R746 PolarHBondContact O-N 2.95Å; V744-I747 PolarHBondContact O-N 3.13Å; V744-C748 WeakPolarHBondContact O-CB 3.35Å; V744-C748 PolarHBondContact O-N 3.07Å; V744-C748 PolarHBondContact O-SG 3.39Å
745E64.5Low63.1Low43 Ų4363.2 Ų63.220%0.20132%0.324CS..Hα-helixtrans-59-45.3172.7-174.1-169160.100111.3I741 K742 C748 R749 P773 I776I741-E745 PolarHBondContact O-N 3.44Å; K742-E745 PolarHBondContact O-N 3.3Å; E745-C748 PolarHBondContact O-N 3.41Å; E745-R749 WeakPolarHBondContact O-CB 3.31Å; E745-R749 PolarHBondContact O-N 3.42Å; E745-R749 IonicContact OE1-CZ 3.41Å; E745-R749 IonicContact OE1-NH1 3.38Å; E745-R749 IonicContact OE1-NH2 3.52Å; E745-R749 PolarHBondContact OE1-NH2 3.41Å; E745-P773 HydrophobicContact CB-CG 4.09Å; E745-P773 HydrophobicContact CG-CG 4.3Å; E745-I776 HydrophobicContact CG-CD1 4.23Å
746R68.6Low62.9Low90 Ų9064.6 Ų64.634%0.3433%0.334SS..Hα-helixtrans-60.6-49.7178.2-172.7-170.1167.9-158.1-4.4112N720 K742 E743 V744 C748 R749 E750N720-R746 PolarHBondContact ND2-NH2 3.01Å; K742-R746 WeakPolarHBondContact O-CB 3.43Å; K742-R746 PolarHBondContact O-N 2.98Å; E743-R746 WeakPolarHBondContact O-CB 3.46Å; E743-R746 PolarHBondContact O-N 3.22Å; E743-R746 WeakPolarHBondContact OE1-CD 3.31Å; E743-R746 IonicContact OE1-CZ 3.25Å; E743-R746 IonicContact OE1-NE 3.8Å; E743-R746 IonicContact OE1-NH1 3.41Å; E743-R746 PolarHBondContact OE1-NH1 2.85Å; V744-R746 VanDerWaalsContact C-N 3.33Å; V744-R746 PolarHBondContact O-N 2.95Å; R746-C748 PolarHBondContact O-N 3.49Å; R746-R749 CarbonylContact O-C 3.52Å; R746-R749 PolarHBondContact O-N 2.92Å; R746-R749 VanDerWaalsContact O-N 3.14Å; R746-E750 HydrophobicContact CG-CG 4.27Å; R746-E750 WeakPolarHBondContact CG-OE1 3.46Å; R746-E750 WeakPolarHBondContact CG-OE2 3.35Å; R746-E750 IonicContact CZ-OE2 3.09Å; R746-E750 IonicContact NE-OE1 3.42Å; R746-E750 IonicContact NE-OE2 2.83Å; R746-E750 PolarHBondContact NE-OE2 2.93Å; R746-E750 IonicContact NH2-OE2 2.62Å; R746-E750 PolarHBondContact NH2-OE2 3.45Å; R746-E750 VanDerWaalsContact O-CB 3.3Å; R746-E750 WeakPolarHBondContact O-CB 3.38Å; R746-E750 WeakPolarHBondContact O-CG 3.32Å; R746-E750 PolarHBondContact O-N 3.02Å
747I67.5Low62.9Low1 Ų167.1 Ų67.11%0.00534%0.339CS..Hα-helixtrans-66.6-39.4-179.2-59.1146.2000111.1V719 Y731 I732 E743 V744 R749 E750 S751V719-I747 HydrophobicContact CG1-CG2 4.35Å; Y731-I747 HydrophobicContact CD1-CD1 3.21Å; Y731-I747 HydrophobicContact CD1-CG1 3.85Å; Y731-I747 HydrophobicContact CE1-CD1 3.13Å; Y731-I747 HydrophobicContact CE1-CG1 3.56Å; Y731-I747 HydrophobicContact CG-CD1 4.46Å; I732-I747 HydrophobicContact CD1-CG2 4.02Å; I732-I747 HydrophobicContact CG1-CB 4.46Å; I732-I747 HydrophobicContact CG1-CD1 4.19Å; I732-I747 HydrophobicContact CG1-CG2 3.95Å; E743-I747 HydrophobicContact CG-CD1 4.33Å; E743-I747 WeakPolarHBondContact O-CD1 3.08Å; E743-I747 WeakPolarHBondContact O-CG1 3.39Å; E743-I747 PolarHBondContact O-N 2.83Å; V744-I747 PolarHBondContact O-N 3.13Å; I747-R749 PolarHBondContact O-N 3.19Å; I747-E750 PolarHBondContact O-N 3.39Å; I747-S751 WeakPolarHBondContact O-CA 3.49Å; I747-S751 WeakPolarHBondContact O-CB 3.47Å; I747-S751 PolarHBondContact O-N 3.33Å
748C61.7Low63Low0 Ų066.4 Ų66.40%033%0.331CS..Hα-helixtrans-63.3-32.4175.7-67.80000111.7V744 E745 R746 Y754 P773 V777V744-C748 WeakPolarHBondContact O-CB 3.35Å; V744-C748 PolarHBondContact O-N 3.07Å; V744-C748 PolarHBondContact O-SG 3.39Å; E745-C748 PolarHBondContact O-N 3.41Å; R746-C748 PolarHBondContact O-N 3.49Å; C748-Y754 PolarHBondContact O-OH 3.39Å; C748-P773 HydrophobicContact CB-CB 4.27Å; C748-V777 HydrophobicContact CB-CG2 3.84Å
749R65.3Low63.2Low115 Ų11562.7 Ų62.743%0.43431%0.308SS..Hα-helixtrans-78-43.1176.2-171.6178.4-72.8152.76.5113.9E745 R746 I747 I776 R780E745-R749 WeakPolarHBondContact O-CB 3.31Å; E745-R749 PolarHBondContact O-N 3.42Å; E745-R749 IonicContact OE1-CZ 3.41Å; E745-R749 IonicContact OE1-NH1 3.38Å; E745-R749 IonicContact OE1-NH2 3.52Å; E745-R749 PolarHBondContact OE1-NH2 3.41Å; R746-R749 CarbonylContact O-C 3.52Å; R746-R749 PolarHBondContact O-N 2.92Å; R746-R749 VanDerWaalsContact O-N 3.14Å; I747-R749 PolarHBondContact O-N 3.19Å; R749-I776 VanDerWaalsContact CA-CG2 3.4Å; R749-I776 HydrophobicContact CB-CD1 4.17Å; R749-I776 HydrophobicContact CB-CG2 3.76Å; R749-I776 HydrophobicContact CG-CD1 4.46Å; R749-I776 HydrophobicContact CG-CG2 3.89Å; R749-R780 PolarHBondContact O-NH1 2.79Å
750E60.9Low63.6Low102 Ų10260.8 Ų60.848%0.47728%0.283SS..Hα-helixtrans-95.1-31.5-168.1-68.2175.7-171.400112.1R746 I747 R780R746-E750 HydrophobicContact CG-CG 4.27Å; R746-E750 WeakPolarHBondContact CG-OE1 3.46Å; R746-E750 WeakPolarHBondContact CG-OE2 3.35Å; R746-E750 IonicContact CZ-OE2 3.09Å; R746-E750 IonicContact NE-OE1 3.42Å; R746-E750 IonicContact NE-OE2 2.83Å; R746-E750 PolarHBondContact NE-OE2 2.93Å; R746-E750 IonicContact NH2-OE2 2.62Å; R746-E750 PolarHBondContact NH2-OE2 3.45Å; R746-E750 VanDerWaalsContact O-CB 3.3Å; R746-E750 WeakPolarHBondContact O-CB 3.38Å; R746-E750 WeakPolarHBondContact O-CG 3.32Å; R746-E750 PolarHBondContact O-N 3.02Å; I747-E750 PolarHBondContact O-N 3.39Å; E750-R780 PolarHBondContact O-NH1 2.92Å; E750-R780 PolarHBondContact O-NH2 2.85Å
751S59.2Low63.7Low12 Ų1260.4 Ų60.48%0.08428%0.284CS..  trans-91142.8179.7-177.30000113.8H728 I747 C753 Y754 R780H728-S751 PolarHBondContact CE1-OG 3.37Å; H728-S751 WeakPolarHBondContact ND1-CB 3.42Å; H728-S751 PolarHBondContact ND1-OG 2.95Å; I747-S751 WeakPolarHBondContact O-CA 3.49Å; I747-S751 WeakPolarHBondContact O-CB 3.47Å; I747-S751 PolarHBondContact O-N 3.33Å; S751-C753 PolarHBondContact OG-N 3.26Å; S751-Y754 WeakPolarHBondContact O-CE1 3.36Å; S751-R780 PolarHBondContact O-NH1 2.85Å
752S55.9Low64.1Low56 Ų5660 Ų6039%0.39228%0.279SS..  trans-120.85.6175450000113.8R780 F781S752-R780 PolarHBondContact OG-NH2 2.95Å; S752-F781 WeakPolarHBondContact O-CZ 3.39Å
753C57Low64.2Low32 Ų3252.2 Ų52.222%0.21625%0.246CC..  trans-102.3-1.2-165.1-440000113.2Q723 P725 S751Q723-C753 VanDerWaalsContact CA-CB 3.49Å; Q723-C753 HydrophobicContact CB-CB 4.05Å; Q723-C753 WeakPolarHBondContact O-CB 3.35Å; P725-C753 WeakPolarHBondContact CA-O 3.44Å; P725-C753 WeakPolarHBondContact CG-O 3.49Å; S751-C753 PolarHBondContact OG-N 3.26Å
754Y62.9Low64.1Low4 Ų453.3 Ų53.32%0.01625%0.25CC..SBendtrans-84.915117258.1-98.1000110.5C748 S751 P756 V759 V777 F781C748-Y754 PolarHBondContact O-OH 3.39Å; S751-Y754 WeakPolarHBondContact O-CE1 3.36Å; Y754-P756 WeakPolarHBondContact O-CD 3.3Å; Y754-P756 VanDerWaalsContact O-N 3.14Å; Y754-V759 HydrophobicContact CD2-CB 3.56Å; Y754-V759 HydrophobicContact CD2-CG1 3.88Å; Y754-V759 HydrophobicContact CD2-CG2 3.41Å; Y754-V759 VanDerWaalsContact CD2-CG2 3.41Å; Y754-V759 HydrophobicContact CE2-CB 3.91Å; Y754-V759 HydrophobicContact CE2-CG1 3.87Å; Y754-V759 HydrophobicContact CE2-CG2 4.24Å; Y754-V759 HydrophobicContact CG-CB 4.44Å; Y754-V759 HydrophobicContact CG-CG2 3.86Å; Y754-V777 HydrophobicContact CE2-CG1 3.89Å; Y754-V777 HydrophobicContact CE2-CG2 4.26Å; Y754-V777 WeakPolarHBondContact OH-CG2 3.34Å; Y754-F781 HydrophobicContact CE2-CE2 4.11Å; Y754-F781 AromaticContact CZ-CE2 4Å
755N62.6Low64Low74 Ų7460.4 Ų60.440%0.39628%0.283SS..  trans-68.3112.9176.6-173.2-35.4000109.8E757 R758 V759N755-E757 VanDerWaalsContact C-N 3.29Å; N755-E757 PolarHBondContact O-N 3.13Å; N755-E757 PolarHBondContact OD1-N 2.88Å; N755-R758 HydrophobicContact CB-CB 4.3Å; N755-R758 PolarHBondContact O-N 3.1Å; N755-V759 PolarHBondContact O-N 2.87Å
756P61.8Low63.8Low30 Ų3060.7 Ų60.720%0.19529%0.293CS..Hα-helixtrans-67.9-27.4-167.325-32.4000112.5Y754 K760 F781 F783Y754-P756 WeakPolarHBondContact O-CD 3.3Å; Y754-P756 VanDerWaalsContact O-N 3.14Å; P756-K760 WeakPolarHBondContact O-CB 3.11Å; P756-K760 PolarHBondContact O-N 2.98Å; P756-F781 HydrophobicContact CB-CD2 4Å; P756-F781 HydrophobicContact CB-CE2 4.24Å; P756-F781 HydrophobicContact CB-CG 4.22Å; P756-F783 HydrophobicContact CB-CE2 4.19Å; P756-F783 HydrophobicContact CG-CE2 4.32Å
757E63.2Low63.3Low116 Ų11665 Ų6554%0.54231%0.314SS..Hα-helixtrans-73.7-41.6175.7-68.5-170.9153.900112.6N755 K760 N761N755-E757 VanDerWaalsContact C-N 3.29Å; N755-E757 PolarHBondContact O-N 3.13Å; N755-E757 PolarHBondContact OD1-N 2.88Å; E757-K760 PolarHBondContact O-N 2.83Å; E757-N761 WeakPolarHBondContact O-CB 3.24Å; E757-N761 PolarHBondContact O-N 3.36Å; E757-N761 PolarHBondContact O-ND2 3.36Å
758R65.3Low63Low171 Ų17167.4 Ų67.465%0.64533%0.326SS*.Hα-helixtrans-67.3-41.2178-79-175.5162.5-176.9-3.5111.9N755 F762N755-R758 HydrophobicContact CB-CB 4.3Å; N755-R758 PolarHBondContact O-N 3.1Å; R758-F762 VanDerWaalsContact O-CB 3.28Å; R758-F762 WeakPolarHBondContact O-CB 3.46Å; R758-F762 PolarHBondContact O-N 3.4Å
759V67.1Low62.8Low5 Ų573.9 Ų73.93%0.0337%0.366CS..Hα-helixtrans-72.4-40.2175.8176.80000111.2Y754 N755 N761 F762 L763Y754-V759 HydrophobicContact CD2-CB 3.56Å; Y754-V759 HydrophobicContact CD2-CG1 3.88Å; Y754-V759 HydrophobicContact CD2-CG2 3.41Å; Y754-V759 VanDerWaalsContact CD2-CG2 3.41Å; Y754-V759 HydrophobicContact CE2-CB 3.91Å; Y754-V759 HydrophobicContact CE2-CG1 3.87Å; Y754-V759 HydrophobicContact CE2-CG2 4.24Å; Y754-V759 HydrophobicContact CG-CB 4.44Å; Y754-V759 HydrophobicContact CG-CG2 3.86Å; N755-V759 PolarHBondContact O-N 2.87Å; V759-N761 PolarHBondContact O-N 3.37Å; V759-F762 PolarHBondContact O-N 3.05Å; V759-L763 HydrophobicContact CG1-CD1 3.72Å; V759-L763 HydrophobicContact CG1-CG 4.2Å; V759-L763 WeakPolarHBondContact O-CB 3.15Å; V759-L763 VanDerWaalsContact O-CG 3.23Å; V759-L763 WeakPolarHBondContact O-CG 3.37Å; V759-L763 PolarHBondContact O-N 2.91Å
760K66.6Low62.7Low18 Ų1871.1 Ų71.18%0.07836%0.36CS..Hα-helixtrans-57.8-44.6172.2-179.7178.281.5177.70111.9P756 E757 K764 D786P756-K760 WeakPolarHBondContact O-CB 3.11Å; P756-K760 PolarHBondContact O-N 2.98Å; E757-K760 PolarHBondContact O-N 2.83Å; K760-K764 HydrophobicContact CG-CD 4.38Å; K760-K764 WeakPolarHBondContact O-CB 3.48Å; K760-K764 VanDerWaalsContact O-CG 3.29Å; K760-K764 WeakPolarHBondContact O-CG 3.49Å; K760-K764 PolarHBondContact O-N 3.31Å; K760-D786 IonicContact NZ-OD2 2.96Å; K760-D786 PolarHBondContact NZ-OD2 2.74Å
761N70.1Confident62.8Low83 Ų8368.5 Ų68.544%0.44435%0.348SS..Hα-helixtrans-70.6-43.2179.1-69.1-16.7000112E757 V759 L763 K764 E765E757-N761 WeakPolarHBondContact O-CB 3.24Å; E757-N761 PolarHBondContact O-N 3.36Å; E757-N761 PolarHBondContact O-ND2 3.36Å; V759-N761 PolarHBondContact O-N 3.37Å; N761-L763 VanDerWaalsContact C-N 3.35Å; N761-L763 PolarHBondContact O-N 2.91Å; N761-K764 PolarHBondContact O-N 3.26Å; N761-E765 WeakPolarHBondContact O-CG 3.5Å; N761-E765 PolarHBondContact O-N 2.97Å
762F69.6Low63.1Low83 Ų8369.7 Ų69.736%0.36435%0.353SS..Hα-helixtrans-60.2-41.5175179.5-102.2000112.4R758 V759 E765 A766R758-F762 VanDerWaalsContact O-CB 3.28Å; R758-F762 WeakPolarHBondContact O-CB 3.46Å; R758-F762 PolarHBondContact O-N 3.4Å; V759-F762 PolarHBondContact O-N 3.05Å; F762-E765 PolarHBondContact O-N 2.88Å; F762-A766 VanDerWaalsContact O-CB 3.25Å; F762-A766 WeakPolarHBondContact O-CB 3.47Å; F762-A766 PolarHBondContact O-N 3.3Å
763L66.8Low63.6Low14 Ų1467.2 Ų67.27%0.07334%0.335CS..Hα-helixtrans-72-33177.2-68.7172.6000112.9V759 N761 L768 L774 V777V759-L763 HydrophobicContact CG1-CD1 3.72Å; V759-L763 HydrophobicContact CG1-CG 4.2Å; V759-L763 WeakPolarHBondContact O-CB 3.15Å; V759-L763 VanDerWaalsContact O-CG 3.23Å; V759-L763 WeakPolarHBondContact O-CG 3.37Å; V759-L763 PolarHBondContact O-N 2.91Å; N761-L763 VanDerWaalsContact C-N 3.35Å; N761-L763 PolarHBondContact O-N 2.91Å; L763-L768 HydrophobicContact CD2-CD1 3.83Å; L763-L774 HydrophobicContact CB-CD1 4.37Å; L763-V777 HydrophobicContact CD1-CG2 4.31Å
764K64.9Low64.1Low62 Ų6266.3 Ų66.327%0.2733%0.328SS..Hα-helixtrans-66.5-37.3171.5-79178.8178.8-174.90112.2K760 N761 L774 Y790K760-K764 HydrophobicContact CG-CD 4.38Å; K760-K764 WeakPolarHBondContact O-CB 3.48Å; K760-K764 VanDerWaalsContact O-CG 3.29Å; K760-K764 WeakPolarHBondContact O-CG 3.49Å; K760-K764 PolarHBondContact O-N 3.31Å; N761-K764 PolarHBondContact O-N 3.26Å; K764-L774 HydrophobicContact CG-CD1 4.44Å; K764-Y790 HydrophobicContact CD-CE2 4.43Å; K764-Y790 HydrophobicContact CG-CE2 4.39Å
765E63Low64.3Low158 Ų15866.2 Ų66.274%0.73833%0.328SS*.Hα-helixtrans-75.3-37.1177.4-74.3178.4178.200113.1N761 F762 K767N761-E765 WeakPolarHBondContact O-CG 3.5Å; N761-E765 PolarHBondContact O-N 2.97Å; F762-E765 PolarHBondContact O-N 2.88Å; E765-K767 VanDerWaalsContact C-N 3.25Å; E765-K767 PolarHBondContact O-N 3.38Å
766A59.8Low64.5Low49 Ų4963.1 Ų63.141%0.40531%0.312SS..THydrogen-bonded Turntrans-70.9-10.9-176.100000115.1F762 L768F762-A766 VanDerWaalsContact O-CB 3.25Å; F762-A766 WeakPolarHBondContact O-CB 3.47Å; F762-A766 PolarHBondContact O-N 3.3Å; A766-L768 PolarHBondContact O-N 3.11Å
767K58.1Low64.8Low181 Ų18161.8 Ų61.879%0.78730%0.303SS*.THydrogen-bonded Turntrans3859.5176.9-70.2-174.9179179.70113.8E765E765-K767 VanDerWaalsContact C-N 3.25Å; E765-K767 PolarHBondContact O-N 3.38Å
768L61.6Low65Low50 Ų5056.5 Ų56.526%0.26228%0.278SS..  trans-63.1151.8178.8-62.4171.5000112L763 A766 D770L763-L768 HydrophobicContact CD2-CD1 3.83Å; A766-L768 PolarHBondContact O-N 3.11Å; L768-D770 VanDerWaalsContact C-N 3.3Å; L768-D770 PolarHBondContact O-N 3.45Å
769T56.8Low65Low136 Ų13649.4 Ų49.483%0.83425%0.253SS*.SBendtrans-71.2-21.4178.6440000113.8
770D63.3Low64.8Low58 Ų5854.1 Ų54.131%0.3127%0.27SS..  trans-123.6125173.6-165.8-14.2000109.6L768 L772L768-D770 VanDerWaalsContact C-N 3.3Å; L768-D770 PolarHBondContact O-N 3.45Å; D770-L772 WeakPolarHBondContact OD1-CG 3.15Å; D770-L772 PolarHBondContact OD1-N 2.96Å
771Q62.8Low64.6Low47 Ų4756.3 Ų56.322%0.2228%0.28CS..  trans-932.7-174.8-61.9-154.79.700113.8P773 L774 I775Q771-P773 VanDerWaalsContact C-CD 3.47Å; Q771-L774 WeakPolarHBondContact O-CB 3.26Å; Q771-L774 PolarHBondContact O-N 3.28Å; Q771-L774 VanDerWaalsContact O-N 3.1Å; Q771-I775 WeakPolarHBondContact O-CG1 3.22Å; Q771-I775 PolarHBondContact O-N 3.27Å
772L66.5Low64.2Low37 Ų3755.2 Ų55.219%0.19429%0.289CS..Hα-helixtrans-52.5-42175.8-80166000114.7D770 L774 I775 I776D770-L772 WeakPolarHBondContact OD1-CG 3.15Å; D770-L772 PolarHBondContact OD1-N 2.96Å; L772-L774 VanDerWaalsContact C-N 3.28Å; L772-L774 PolarHBondContact O-N 3.37Å; L772-I775 PolarHBondContact O-N 3.31Å; L772-I776 VanDerWaalsContact O-CD1 3.26Å; L772-I776 WeakPolarHBondContact O-CD1 3.49Å; L772-I776 VanDerWaalsContact O-CG1 3.24Å; L772-I776 WeakPolarHBondContact O-CG1 3.46Å; L772-I776 PolarHBondContact O-N 3.31Å; L772-I776 VanDerWaalsContact O-N 3.16Å
773P65.4Low64.2Low4 Ų454.1 Ų54.13%0.02628%0.284CS..Hα-helixtrans-61-35.6177.2-23.834.5000113.1E745 C748 Q771 V777E745-P773 HydrophobicContact CB-CG 4.09Å; E745-P773 HydrophobicContact CG-CG 4.3Å; C748-P773 HydrophobicContact CB-CB 4.27Å; Q771-P773 VanDerWaalsContact C-CD 3.47Å; P773-V777 VanDerWaalsContact O-CG2 3.27Å; P773-V777 WeakPolarHBondContact O-CG2 3.46Å; P773-V777 PolarHBondContact O-N 3.28Å
774L67.8Low64.2Low12 Ų1254 Ų546%0.06328%0.283CS..Hα-helixtrans-70-38.1177.6-17866.5000112L763 K764 Q771 L772 I776 C778 L787 Y790L763-L774 HydrophobicContact CB-CD1 4.37Å; K764-L774 HydrophobicContact CG-CD1 4.44Å; Q771-L774 WeakPolarHBondContact O-CB 3.26Å; Q771-L774 PolarHBondContact O-N 3.28Å; Q771-L774 VanDerWaalsContact O-N 3.1Å; L772-L774 VanDerWaalsContact C-N 3.28Å; L772-L774 PolarHBondContact O-N 3.37Å; L774-I776 VanDerWaalsContact C-N 3.32Å; L774-I776 PolarHBondContact O-N 3.32Å; L774-C778 PolarHBondContact O-N 2.89Å; L774-C778 PolarHBondContact O-SG 3.06Å; L774-L787 HydrophobicContact CG-CD1 4.5Å; L774-Y790 HydrophobicContact CD2-CD1 4.05Å; L774-Y790 HydrophobicContact CD2-CE1 3.65Å
775I67.8Low64.2Low3 Ų354.8 Ų54.82%0.01529%0.288CS..Hα-helixtrans-62.8-42.1178-67.5168.9000110.5Q771 L772 C778 D779 L787 L791 Y799 Y803Q771-I775 WeakPolarHBondContact O-CG1 3.22Å; Q771-I775 PolarHBondContact O-N 3.27Å; L772-I775 PolarHBondContact O-N 3.31Å; I775-C778 PolarHBondContact O-N 3.21Å; I775-D779 PolarHBondContact O-N 3.46Å; I775-L787 HydrophobicContact CG1-CD1 4.39Å; I775-L787 HydrophobicContact CG2-CD2 4.28Å; I775-L791 HydrophobicContact CG1-CD1 4.35Å; I775-Y799 HydrophobicContact CD1-CD1 3.96Å; I775-Y799 HydrophobicContact CD1-CG 4.32Å; I775-Y803 HydrophobicContact CG2-CD2 3.3Å; I775-Y803 HydrophobicContact CG2-CE2 3.88Å; I775-Y803 HydrophobicContact CG2-CG 3.94Å
776I66.2Low64.3Low9 Ų950.6 Ų50.65%0.04627%0.271CS..Hα-helixtrans-70.9-39.8-176.4-61.3156.5000112E745 R749 L772 L774 C778 R780E745-I776 HydrophobicContact CG-CD1 4.23Å; R749-I776 VanDerWaalsContact CA-CG2 3.4Å; R749-I776 HydrophobicContact CB-CD1 4.17Å; R749-I776 HydrophobicContact CB-CG2 3.76Å; R749-I776 HydrophobicContact CG-CD1 4.46Å; R749-I776 HydrophobicContact CG-CG2 3.89Å; L772-I776 VanDerWaalsContact O-CD1 3.26Å; L772-I776 WeakPolarHBondContact O-CD1 3.49Å; L772-I776 VanDerWaalsContact O-CG1 3.24Å; L772-I776 WeakPolarHBondContact O-CG1 3.46Å; L772-I776 PolarHBondContact O-N 3.31Å; L772-I776 VanDerWaalsContact O-N 3.16Å; L774-I776 VanDerWaalsContact C-N 3.32Å; L774-I776 PolarHBondContact O-N 3.32Å; I776-C778 VanDerWaalsContact C-N 3.33Å; I776-C778 PolarHBondContact O-N 2.94Å; I776-R780 WeakPolarHBondContact O-CB 3.38Å; I776-R780 PolarHBondContact O-N 3.14Å; I776-R780 VanDerWaalsContact O-N 3.15Å
777V68.7Low64.7Low2 Ų248.5 Ų48.51%0.01225%0.253CS..Hα-helixtrans-63-41.9176.11780000110.8C748 Y754 L763 P773 F781C748-V777 HydrophobicContact CB-CG2 3.84Å; Y754-V777 HydrophobicContact CE2-CG1 3.89Å; Y754-V777 HydrophobicContact CE2-CG2 4.26Å; Y754-V777 WeakPolarHBondContact OH-CG2 3.34Å; L763-V777 HydrophobicContact CD1-CG2 4.31Å; P773-V777 VanDerWaalsContact O-CG2 3.27Å; P773-V777 WeakPolarHBondContact O-CG2 3.46Å; P773-V777 PolarHBondContact O-N 3.28Å; V777-F781 HydrophobicContact CG1-CD2 4.28Å; V777-F781 WeakPolarHBondContact O-CD2 3.35Å
778C66.4Low65.2Low4 Ų440.1 Ų40.13%0.02722%0.216CC..Hα-helixtrans-73.4-34.2-178.1-70.80000114L774 I775 I776 F783 L787L774-C778 PolarHBondContact O-N 2.89Å; L774-C778 PolarHBondContact O-SG 3.06Å; I775-C778 PolarHBondContact O-N 3.21Å; I776-C778 VanDerWaalsContact C-N 3.33Å; I776-C778 PolarHBondContact O-N 2.94Å; C778-F783 HydrophobicContact CB-CB 4.44Å; C778-F783 CarbonylContact O-C 3.53Å; C778-F783 PolarHBondContact O-N 2.89Å; C778-F783 VanDerWaalsContact O-N 3.08Å; C778-L787 HydrophobicContact CB-CB 3.59Å; C778-L787 HydrophobicContact CB-CD1 3.83Å; C778-L787 HydrophobicContact CB-CD2 3.78Å; C778-L787 HydrophobicContact CB-CG 3.9Å
779D65.6Low65.5Low22 Ų2239.6 Ų39.612%0.11821%0.214CC..Hα-helixtrans-62-51.7172.8-178.823000111.6I775 F781 G782 Y803I775-D779 PolarHBondContact O-N 3.46Å; D779-F781 VanDerWaalsContact C-N 3.29Å; D779-F781 PolarHBondContact O-N 2.72Å; D779-G782 PolarHBondContact O-N 3.13Å; D779-Y803 WeakPolarHBondContact CA-OH 3.49Å; D779-Y803 HydrophobicContact CB-CE2 3.54Å; D779-Y803 WeakPolarHBondContact CB-OH 3.32Å; D779-Y803 PolarHBondContact OD1-OH 2.65Å
780R63.9Low66.1Low104 Ų10436.1 Ų36.139%0.39219%0.186SC..Hα-helixtrans-63.8-32.5-171.1-168.4174.3-176.5175.80.2113.7R749 E750 S751 S752 I776R749-R780 PolarHBondContact O-NH1 2.79Å; E750-R780 PolarHBondContact O-NH1 2.92Å; E750-R780 PolarHBondContact O-NH2 2.85Å; S751-R780 PolarHBondContact O-NH1 2.85Å; S752-R780 PolarHBondContact OG-NH2 2.95Å; I776-R780 WeakPolarHBondContact O-CB 3.38Å; I776-R780 PolarHBondContact O-N 3.14Å; I776-R780 VanDerWaalsContact O-N 3.15Å
781F61.9Low66.4Low65 Ų6533.5 Ų33.529%0.28517%0.172SC..THydrogen-bonded Turntrans-105.312.7-175.3-66.3-74.8000114.5S752 Y754 P756 V777 D779 F783S752-F781 WeakPolarHBondContact O-CZ 3.39Å; Y754-F781 HydrophobicContact CE2-CE2 4.11Å; Y754-F781 AromaticContact CZ-CE2 4Å; P756-F781 HydrophobicContact CB-CD2 4Å; P756-F781 HydrophobicContact CB-CE2 4.24Å; P756-F781 HydrophobicContact CB-CG 4.22Å; V777-F781 HydrophobicContact CG1-CD2 4.28Å; V777-F781 WeakPolarHBondContact O-CD2 3.35Å; D779-F781 VanDerWaalsContact C-N 3.29Å; D779-F781 PolarHBondContact O-N 2.72Å; F781-F783 VanDerWaalsContact C-N 3.28Å; F781-F783 HydrophobicContact CB-CD2 3.76Å; F781-F783 HydrophobicContact CB-CE2 3.77Å; F781-F783 PolarHBondContact O-N 2.93Å
782G60.9Low66.6Low60 Ų6034.6 Ų34.662%0.61918%0.175SC*.THydrogen-bonded Turntrans75.411.4174.800000114.9D779 V784D779-G782 PolarHBondContact O-N 3.13Å; G782-V784 PolarHBondContact O-N 3.37Å; G782-V784 VanDerWaalsContact O-N 3.1Å
783F70.9Confident66.6Low59 Ų5942.4 Ų42.426%0.25920%0.201SC..  trans-8333.3172.8-59.8-64.5000112.2P756 C778 F781 H785 D786 L787P756-F783 HydrophobicContact CB-CE2 4.19Å; P756-F783 HydrophobicContact CG-CE2 4.32Å; C778-F783 HydrophobicContact CB-CB 4.44Å; C778-F783 CarbonylContact O-C 3.53Å; C778-F783 PolarHBondContact O-N 2.89Å; C778-F783 VanDerWaalsContact O-N 3.08Å; F781-F783 VanDerWaalsContact C-N 3.28Å; F781-F783 HydrophobicContact CB-CD2 3.76Å; F781-F783 HydrophobicContact CB-CE2 3.77Å; F781-F783 PolarHBondContact O-N 2.93Å; F783-H785 VanDerWaalsContact C-N 3.31Å; F783-H785 PolarHBondContact O-N 3.37Å; F783-D786 HydrophobicContact CB-CB 4.37Å; F783-D786 PolarHBondContact O-N 3.34Å; F783-L787 PolarHBondContact O-N 2.91Å
784V66.1Low66.8Low11 Ų1146 Ų467%0.06722%0.22CC..Hα-helixtrans-63.7-39.1-175.6-179.40000110.6G782 L787 V788 V815G782-V784 PolarHBondContact O-N 3.37Å; G782-V784 VanDerWaalsContact O-N 3.1Å; V784-L787 PolarHBondContact O-N 3.11Å; V784-V788 HydrophobicContact CG1-CG2 4.39Å; V784-V788 VanDerWaalsContact O-CG2 3.25Å; V784-V788 WeakPolarHBondContact O-CG2 3.11Å; V784-V788 PolarHBondContact O-N 3.16Å; V784-V815 HydrophobicContact CG1-CG2 3.65Å
785H64.8Low66.6Low79 Ų7952.3 Ų52.337%0.36625%0.254SS..Hα-helixtrans-62.9-45177.2-170.183.2000112.2F783 L787 V788 L789 D821F783-H785 VanDerWaalsContact C-N 3.31Å; F783-H785 PolarHBondContact O-N 3.37Å; H785-L787 PolarHBondContact O-N 2.9Å; H785-V788 PolarHBondContact O-N 3.1Å; H785-L789 WeakPolarHBondContact O-CG 3.25Å; H785-L789 PolarHBondContact O-N 3.3Å; H785-D821 IonicContact CE1-OD2 3.67Å; H785-D821 PolarHBondContact CE1-OD2 2.86Å; H785-D821 IonicContact ND1-OD2 3.14Å
786D65Low66.6Low71 Ų7154.4 Ų54.438%0.3827%0.265SS..Hα-helixtrans-64.1-36.6175.7-91.97.3000113.2K760 F783 Y790K760-D786 IonicContact NZ-OD2 2.96Å; K760-D786 PolarHBondContact NZ-OD2 2.74Å; F783-D786 HydrophobicContact CB-CB 4.37Å; F783-D786 PolarHBondContact O-N 3.34Å; D786-Y790 WeakPolarHBondContact O-CB 3.46Å; D786-Y790 PolarHBondContact O-N 3.35Å
787L69.1Low66.5Low5 Ų558.8 Ų58.83%0.02629%0.286CS..Hα-helixtrans-68.2-46.6177.2179.771.8000111.3L774 I775 C778 F783 V784 H785 L789 Y790 L791L774-L787 HydrophobicContact CG-CD1 4.5Å; I775-L787 HydrophobicContact CG1-CD1 4.39Å; I775-L787 HydrophobicContact CG2-CD2 4.28Å; C778-L787 HydrophobicContact CB-CB 3.59Å; C778-L787 HydrophobicContact CB-CD1 3.83Å; C778-L787 HydrophobicContact CB-CD2 3.78Å; C778-L787 HydrophobicContact CB-CG 3.9Å; F783-L787 PolarHBondContact O-N 2.91Å; V784-L787 PolarHBondContact O-N 3.11Å; H785-L787 PolarHBondContact O-N 2.9Å; L787-L789 VanDerWaalsContact C-N 3.3Å; L787-L789 PolarHBondContact O-N 3.32Å; L787-Y790 PolarHBondContact O-N 3.41Å; L787-L791 HydrophobicContact CD1-CD1 3.86Å; L787-L791 HydrophobicContact CD1-CG 4.1Å; L787-L791 HydrophobicContact CD2-CD1 4.26Å; L787-L791 HydrophobicContact CG-CD1 3.74Å; L787-L791 HydrophobicContact CG-CG 4.29Å; L787-L791 WeakPolarHBondContact O-CB 3.27Å; L787-L791 WeakPolarHBondContact O-CG 3.3Å; L787-L791 PolarHBondContact O-N 3.25Å
788V67.1Low66.4Low4 Ų468 Ų682%0.02432%0.32CS..Hα-helixtrans-61.1-42.3178.1172.40000110.2V784 H785 Y790 Y792 V815 L819V784-V788 HydrophobicContact CG1-CG2 4.39Å; V784-V788 VanDerWaalsContact O-CG2 3.25Å; V784-V788 WeakPolarHBondContact O-CG2 3.11Å; V784-V788 PolarHBondContact O-N 3.16Å; H785-V788 PolarHBondContact O-N 3.1Å; V788-Y790 PolarHBondContact O-N 2.74Å; V788-Y792 WeakPolarHBondContact O-CB 3.27Å; V788-Y792 PolarHBondContact O-N 3.34Å; V788-V815 HydrophobicContact CG2-CG1 4.23Å; V788-L819 HydrophobicContact CG1-CD2 3.61Å; V788-L819 HydrophobicContact CG1-CG 3.91Å
789L68Low66.5Low40 Ų4071 Ų7121%0.20933%0.331CS..Hα-helixtrans-61.2-43.1173.7-74.7169000113.1H785 L787 R793 V822H785-L789 WeakPolarHBondContact O-CG 3.25Å; H785-L789 PolarHBondContact O-N 3.3Å; L787-L789 VanDerWaalsContact C-N 3.3Å; L787-L789 PolarHBondContact O-N 3.32Å; L789-R793 WeakPolarHBondContact O-CB 3.44Å; L789-R793 VanDerWaalsContact O-CG 3.28Å; L789-R793 WeakPolarHBondContact O-CG 3.39Å; L789-R793 PolarHBondContact O-N 3.17Å; L789-R793 VanDerWaalsContact O-N 3.11Å; L789-V822 HydrophobicContact CD2-CG2 3.41Å; L789-V822 VanDerWaalsContact CD2-CG2 3.41Å; L789-V822 HydrophobicContact CG-CG2 4.3Å
790Y69.8Low66.6Low62 Ų6270.4 Ų70.424%0.24333%0.328CS..Hα-helixtrans-71.3-40.4-179.7178.8-97.9000113.1K764 L774 D786 L787 V788 N794K764-Y790 HydrophobicContact CD-CE2 4.43Å; K764-Y790 HydrophobicContact CG-CE2 4.39Å; L774-Y790 HydrophobicContact CD2-CD1 4.05Å; L774-Y790 HydrophobicContact CD2-CE1 3.65Å; D786-Y790 WeakPolarHBondContact O-CB 3.46Å; D786-Y790 PolarHBondContact O-N 3.35Å; L787-Y790 PolarHBondContact O-N 3.41Å; V788-Y790 PolarHBondContact O-N 2.74Å; Y790-N794 WeakPolarHBondContact CE2-ND2 3.34Å; Y790-N794 PolarHBondContact O-N 2.85Å; Y790-N794 PolarHBondContact O-ND2 2.9Å
791L69.3Low66.7Low3 Ų369 Ų692%0.01633%0.326CS..Hα-helixtrans-72.3-36.9179.1-69.5174.9000111.8I775 L787 N795 L796 I800I775-L791 HydrophobicContact CG1-CD1 4.35Å; L787-L791 HydrophobicContact CD1-CD1 3.86Å; L787-L791 HydrophobicContact CD1-CG 4.1Å; L787-L791 HydrophobicContact CD2-CD1 4.26Å; L787-L791 HydrophobicContact CG-CD1 3.74Å; L787-L791 HydrophobicContact CG-CG 4.29Å; L787-L791 WeakPolarHBondContact O-CB 3.27Å; L787-L791 WeakPolarHBondContact O-CG 3.3Å; L787-L791 PolarHBondContact O-N 3.25Å; L791-N795 PolarHBondContact O-N 2.79Å; L791-L796 HydrophobicContact CD2-CB 4.27Å; L791-L796 HydrophobicContact CD2-CD1 4.23Å; L791-L796 PolarHBondContact O-N 2.81Å; L791-I800 HydrophobicContact CB-CD1 4.26Å; L791-I800 HydrophobicContact CB-CG1 4.21Å; L791-I800 HydrophobicContact CD1-CG1 4.18Å
792Y66.6Low67Low71 Ų7168.6 Ų68.628%0.27833%0.326SS..Hα-helixtrans-71.1-44.7177.7-169.8-99.1000112.2V788 N794 N795 V822V788-Y792 WeakPolarHBondContact O-CB 3.27Å; V788-Y792 PolarHBondContact O-N 3.34Å; Y792-N794 PolarHBondContact O-N 2.86Å; Y792-N794 VanDerWaalsContact O-N 3.16Å; Y792-N795 PolarHBondContact O-N 3.39Å; Y792-N795 VanDerWaalsContact O-N 3.11Å; Y792-V822 HydrophobicContact CD1-CG1 3.49Å; Y792-V822 VanDerWaalsContact CD1-CG1 3.49Å; Y792-V822 HydrophobicContact CE1-CG1 3.71Å; Y792-V822 HydrophobicContact CG-CG1 4.29Å
793R68.1Low67.3Low200 Ų20066 Ų6676%0.75530%0.298SS*.Hα-helixtrans-61.8-22.7176.2-76.2179179.9177.92.4114L789L789-R793 WeakPolarHBondContact O-CB 3.44Å; L789-R793 VanDerWaalsContact O-CG 3.28Å; L789-R793 WeakPolarHBondContact O-CG 3.39Å; L789-R793 PolarHBondContact O-N 3.17Å; L789-R793 VanDerWaalsContact O-N 3.11Å
794N68.1Low67.1Low80 Ų8063.3 Ų63.343%0.42829%0.286SS..THydrogen-bonded Turntrans-100.912178.5-69.9-49.5000113.7Y790 Y792 L796Y790-N794 WeakPolarHBondContact CE2-ND2 3.34Å; Y790-N794 PolarHBondContact O-N 2.85Å; Y790-N794 PolarHBondContact O-ND2 2.9Å; Y792-N794 PolarHBondContact O-N 2.86Å; Y792-N794 VanDerWaalsContact O-N 3.16Å; N794-L796 HydrophobicContact CB-CD1 4.23Å; N794-L796 HydrophobicContact CB-CG 4.47Å; N794-L796 PolarHBondContact O-N 3.06Å
795N63.5Low67Low144 Ų14467.2 Ų67.277%0.7730%0.304SS*.THydrogen-bonded Turntrans6032.1179.3-65-32.8000115.6L791 Y792L791-N795 PolarHBondContact O-N 2.79Å; Y792-N795 PolarHBondContact O-N 3.39Å; Y792-N795 VanDerWaalsContact O-N 3.11Å
796L68.4Low66.9Low48 Ų4871.6 Ų71.625%0.25132%0.322SS..  trans-102.153.5-176.5-67.3169.3000113.2L791 N794 R798 Y799L791-L796 HydrophobicContact CD2-CB 4.27Å; L791-L796 HydrophobicContact CD2-CD1 4.23Å; L791-L796 PolarHBondContact O-N 2.81Å; N794-L796 HydrophobicContact CB-CD1 4.23Å; N794-L796 HydrophobicContact CB-CG 4.47Å; N794-L796 PolarHBondContact O-N 3.06Å; L796-R798 PolarHBondContact O-N 3.16Å; L796-Y799 HydrophobicContact CB-CD2 4.31Å; L796-Y799 HydrophobicContact CD2-CD2 4.27Å; L796-Y799 HydrophobicContact CD2-CE2 4.34Å; L796-Y799 PolarHBondContact O-N 3.28Å
797Q64.3Low66.7Low101 Ų10170.7 Ų70.747%0.47232%0.319SS..Hα-helixtrans-63.3-34.5-174.7-71.6173.6-13.400114.3Y799 I800 E801Q797-Y799 PolarHBondContact O-N 2.99Å; Q797-I800 WeakPolarHBondContact O-CB 3.2Å; Q797-I800 PolarHBondContact O-N 2.89Å; Q797-E801 PolarHBondContact O-N 3.3Å
798R67.4Low66.3Low195 Ų19572.5 Ų72.574%0.73633%0.328SS*.Hα-helixtrans-61.3-28.3-179.1-164.9177.6-175.5-177.21.8113.5L796 I802L796-R798 PolarHBondContact O-N 3.16Å; R798-I802 HydrophobicContact CG-CD1 4.35Å; R798-I802 WeakPolarHBondContact O-CD1 3.41Å; R798-I802 VanDerWaalsContact O-CG1 3.28Å; R798-I802 WeakPolarHBondContact O-CG1 3.39Å; R798-I802 PolarHBondContact O-N 3.25Å
799Y67.3Low66.3Low68 Ų6873.5 Ų73.527%0.26733%0.334SS..Hα-helixtrans-78.3-23.8177.4-74.8-81.4000112.5I775 L796 Q797 Y803I775-Y799 HydrophobicContact CD1-CD1 3.96Å; I775-Y799 HydrophobicContact CD1-CG 4.32Å; L796-Y799 HydrophobicContact CB-CD2 4.31Å; L796-Y799 HydrophobicContact CD2-CD2 4.27Å; L796-Y799 HydrophobicContact CD2-CE2 4.34Å; L796-Y799 PolarHBondContact O-N 3.28Å; Q797-Y799 PolarHBondContact O-N 2.99Å; Y799-Y803 VanDerWaalsContact O-CB 3.24Å; Y799-Y803 WeakPolarHBondContact O-CB 3.26Å; Y799-Y803 PolarHBondContact O-N 3.25Å
800I67.9Low66.1Low9 Ų974.2 Ų74.25%0.04634%0.343CS..Hα-helixtrans-69.8-41.9173.6-58.7175.6000109.9L791 Q797 Y803 V804 V815 L819L791-I800 HydrophobicContact CB-CD1 4.26Å; L791-I800 HydrophobicContact CB-CG1 4.21Å; L791-I800 HydrophobicContact CD1-CG1 4.18Å; Q797-I800 WeakPolarHBondContact O-CB 3.2Å; Q797-I800 PolarHBondContact O-N 2.89Å; I800-Y803 PolarHBondContact O-N 3.39Å; I800-V804 WeakPolarHBondContact O-CG2 3.43Å; I800-V804 PolarHBondContact O-N 3.18Å; I800-V815 HydrophobicContact CG2-CG1 4.44Å; I800-L819 HydrophobicContact CD1-CD2 4.42Å; I800-L819 HydrophobicContact CG2-CD1 4.32Å
801E66.9Low65.9Low75 Ų7577.6 Ų77.635%0.3536%0.355SS..Hα-helixtrans-65.9-44.6175.9-68.9177.4170.800112.5Q797 Y803 V804 Q805Q797-E801 PolarHBondContact O-N 3.3Å; E801-Y803 VanDerWaalsContact C-N 3.26Å; E801-Y803 PolarHBondContact O-N 3.19Å; E801-V804 PolarHBondContact O-N 3.24Å; E801-Q805 WeakPolarHBondContact O-CB 3.43Å; E801-Q805 WeakPolarHBondContact O-CG 3.46Å; E801-Q805 PolarHBondContact O-N 3.45Å
802I67.2Low65.9Low56 Ų5677.5 Ų77.529%0.28736%0.355SS..Hα-helixtrans-61.9-37.7177-69.3167.1000110.9R798 K806R798-I802 HydrophobicContact CG-CD1 4.35Å; R798-I802 WeakPolarHBondContact O-CD1 3.41Å; R798-I802 VanDerWaalsContact O-CG1 3.28Å; R798-I802 WeakPolarHBondContact O-CG1 3.39Å; R798-I802 PolarHBondContact O-N 3.25Å; I802-K806 HydrophobicContact CG2-CB 4.48Å; I802-K806 HydrophobicContact CG2-CD 4.43Å; I802-K806 WeakPolarHBondContact O-CA 3.45Å; I802-K806 WeakPolarHBondContact O-CB 3.43Å; I802-K806 PolarHBondContact O-N 3.08Å
803Y67.8Low65.9Low5 Ų574.4 Ų74.42%0.0234%0.343CS..Iπ-helixtrans-63.3-48.4178.7172.2-113.3000112.2I775 D779 Y799 I800 E801 V807 N808 V815I775-Y803 HydrophobicContact CG2-CD2 3.3Å; I775-Y803 HydrophobicContact CG2-CE2 3.88Å; I775-Y803 HydrophobicContact CG2-CG 3.94Å; D779-Y803 WeakPolarHBondContact CA-OH 3.49Å; D779-Y803 HydrophobicContact CB-CE2 3.54Å; D779-Y803 WeakPolarHBondContact CB-OH 3.32Å; D779-Y803 PolarHBondContact OD1-OH 2.65Å; Y799-Y803 VanDerWaalsContact O-CB 3.24Å; Y799-Y803 WeakPolarHBondContact O-CB 3.26Å; Y799-Y803 PolarHBondContact O-N 3.25Å; I800-Y803 PolarHBondContact O-N 3.39Å; E801-Y803 VanDerWaalsContact C-N 3.26Å; E801-Y803 PolarHBondContact O-N 3.19Å; Y803-V807 HydrophobicContact CD2-CB 3.79Å; Y803-V807 HydrophobicContact CD2-CG1 4.01Å; Y803-V807 HydrophobicContact CD2-CG2 4.25Å; Y803-V807 HydrophobicContact CE2-CB 4.31Å; Y803-V807 HydrophobicContact CE2-CG1 4.12Å; Y803-V807 WeakPolarHBondContact O-CB 3.42Å; Y803-V807 PolarHBondContact O-N 3Å; Y803-V807 VanDerWaalsContact O-N 3.07Å; Y803-N808 PolarHBondContact O-N 3.2Å; Y803-N808 VanDerWaalsContact O-N 3.16Å; Y803-V815 HydrophobicContact CD1-CG2 4.26Å; Y803-V815 HydrophobicContact CE1-CG2 3.62Å
804V65.9Low66Low2 Ų266.8 Ų66.81%0.01232%0.323CS..Iπ-helixtrans-70.7-37.1-179.8176.40000112I800 E801 T812 V815 L832 V836I800-V804 WeakPolarHBondContact O-CG2 3.43Å; I800-V804 PolarHBondContact O-N 3.18Å; E801-V804 PolarHBondContact O-N 3.24Å; V804-T812 HydrophobicContact CG1-CG2 4.07Å; V804-V815 HydrophobicContact CG2-CB 4.38Å; V804-V815 HydrophobicContact CG2-CG1 3.93Å; V804-V815 HydrophobicContact CG2-CG2 4.4Å; V804-L832 HydrophobicContact CB-CD2 3.41Å; V804-L832 VanDerWaalsContact CB-CD2 3.41Å; V804-L832 HydrophobicContact CG1-CD2 3.51Å; V804-L832 HydrophobicContact CG2-CD2 3.69Å; V804-V836 HydrophobicContact CG1-CG2 3.68Å
805Q65.4Low66.1Low94 Ų9463 Ų6344%0.43930%0.303SS..Iπ-helixtrans-82.9-34-177.2-69.9-179.9-3.200114.4E801 A835E801-Q805 WeakPolarHBondContact O-CB 3.43Å; E801-Q805 WeakPolarHBondContact O-CG 3.46Å; E801-Q805 PolarHBondContact O-N 3.45Å; Q805-A835 HydrophobicContact CG-CB 4.42Å
806K62.2Low66.5Low171 Ų17156.4 Ų56.474%0.74327%0.268SS*.Iπ-helixtrans-116.6-21.8-170.5-67.1-170.5175.5-177.50115.1I802I802-K806 HydrophobicContact CG2-CB 4.48Å; I802-K806 HydrophobicContact CG2-CD 4.43Å; I802-K806 WeakPolarHBondContact O-CA 3.45Å; I802-K806 WeakPolarHBondContact O-CB 3.43Å; I802-K806 PolarHBondContact O-N 3.08Å
807V61.1Low66.5Low52 Ų5254.1 Ų54.132%0.31526%0.256SS..Iπ-helixtrans-101.8-56.7-172.5-175.80000111.3Y803Y803-V807 HydrophobicContact CD2-CB 3.79Å; Y803-V807 HydrophobicContact CD2-CG1 4.01Å; Y803-V807 HydrophobicContact CD2-CG2 4.25Å; Y803-V807 HydrophobicContact CE2-CB 4.31Å; Y803-V807 HydrophobicContact CE2-CG1 4.12Å; Y803-V807 WeakPolarHBondContact O-CB 3.42Å; Y803-V807 PolarHBondContact O-N 3Å; Y803-V807 VanDerWaalsContact O-N 3.07Å
808N61Low66.8Low43 Ų4349.3 Ų49.323%0.2323%0.234CC..  trans-150.992.9-179.5-159.5-10.6000114Y803 S810Y803-N808 PolarHBondContact O-N 3.2Å; Y803-N808 VanDerWaalsContact O-N 3.16Å; N808-S810 VanDerWaalsContact C-N 3.27Å; N808-S810 PolarHBondContact O-N 3.07Å; N808-S810 PolarHBondContact OD1-N 3.45Å; N808-S810 PolarHBondContact OD1-OG 2.84Å
809P65.6Low67Low24 Ų2440.3 Ų40.316%0.15620%0.2CC..G310 helixtrans-63.3-25.2177.6-27.938.6000114.8T812 V836 Q839P809-T812 WeakPolarHBondContact O-CB 3.29Å; P809-T812 PolarHBondContact O-OG1 3.38Å; P809-V836 HydrophobicContact CB-CG1 3.76Å; P809-Q839 HydrophobicContact CB-CB 3.97Å
810S63.9Low67Low55 Ų5537.6 Ų37.639%0.38519%0.19SC..G310 helixtrans-73.5-27.3-174.9690000113.7N808 T812 P813N808-S810 VanDerWaalsContact C-N 3.27Å; N808-S810 PolarHBondContact O-N 3.07Å; N808-S810 PolarHBondContact OD1-N 3.45Å; N808-S810 PolarHBondContact OD1-OG 2.84Å; S810-T812 VanDerWaalsContact C-N 3.32Å; S810-P813 WeakPolarHBondContact O-CD 3.47Å
811R67Low67Low133 Ų13341.1 Ų41.150%0.50221%0.209SC..G310 helixtrans-89.45.6-179.5-68.6-64-167.2-172.6-0.4113.9P813 A814 V815R811-P813 VanDerWaalsContact C-N 3.27Å; R811-A814 PolarHBondContact O-N 3.13Å; R811-V815 PolarHBondContact O-N 2.75Å
812T67.5Low67Low2 Ų239.3 Ų39.31%0.01220%0.203CC..Hα-helixtrans-47.1-40.7175.1-56.90000113.7V804 P809 S810 A814 V815 I816V804-T812 HydrophobicContact CG1-CG2 4.07Å; P809-T812 WeakPolarHBondContact O-CB 3.29Å; P809-T812 PolarHBondContact O-OG1 3.38Å; S810-T812 VanDerWaalsContact C-N 3.32Å; T812-A814 PolarHBondContact O-N 3.19Å; T812-V815 PolarHBondContact O-N 3.23Å; T812-I816 HydrophobicContact CG2-CD1 3.65Å; T812-I816 HydrophobicContact CG2-CG1 4.31Å; T812-I816 VanDerWaalsContact O-CG1 3.31Å; T812-I816 WeakPolarHBondContact O-CG1 3.32Å; T812-I816 PolarHBondContact O-N 3.04Å
813P68.2Low66.7Low5 Ų542.4 Ų42.43%0.03222%0.22CC..Hα-helixtrans-53.4-46173.5-31.839.9000115.6S810 R811 G817 L845S810-P813 WeakPolarHBondContact O-CD 3.47Å; R811-P813 VanDerWaalsContact C-N 3.27Å; P813-G817 PolarHBondContact O-N 3.06Å; P813-L845 HydrophobicContact CB-CB 4.29Å; P813-L845 HydrophobicContact CB-CD1 3.99Å; P813-L845 HydrophobicContact CG-CB 3.85Å; P813-L845 HydrophobicContact CG-CD1 3.97Å; P813-L845 HydrophobicContact CG-CG 4.49Å
814A68.9Low66.8Low40 Ų4042.7 Ų42.733%0.33122%0.223SC..Hα-helixtrans-74.9-32.1-177.300000112.5R811 T812 G817 G818R811-A814 PolarHBondContact O-N 3.13Å; T812-A814 PolarHBondContact O-N 3.19Å; A814-G817 PolarHBondContact O-N 2.99Å; A814-G818 PolarHBondContact O-N 2.83Å
815V71.5Confident66.8Low2 Ų245.9 Ų45.91%0.01225%0.245CC..Hα-helixtrans-69-43.9175.3-179.60000110.7V784 V788 I800 Y803 V804 R811 T812 G817 G818 L819V784-V815 HydrophobicContact CG1-CG2 3.65Å; V788-V815 HydrophobicContact CG2-CG1 4.23Å; I800-V815 HydrophobicContact CG2-CG1 4.44Å; Y803-V815 HydrophobicContact CD1-CG2 4.26Å; Y803-V815 HydrophobicContact CE1-CG2 3.62Å; V804-V815 HydrophobicContact CG2-CB 4.38Å; V804-V815 HydrophobicContact CG2-CG1 3.93Å; V804-V815 HydrophobicContact CG2-CG2 4.4Å; R811-V815 PolarHBondContact O-N 2.75Å; T812-V815 PolarHBondContact O-N 3.23Å; V815-G817 VanDerWaalsContact C-N 3.26Å; V815-G817 PolarHBondContact O-N 3.18Å; V815-G818 PolarHBondContact O-N 2.96Å; V815-L819 HydrophobicContact CG1-CD1 4.04Å; V815-L819 HydrophobicContact CG1-CG 4.5Å; V815-L819 WeakPolarHBondContact O-CG 3.5Å; V815-L819 PolarHBondContact O-N 2.82Å
816I71.2Confident66.8Low4 Ų445.4 Ų45.42%0.02124%0.243CC..Hα-helixtrans-61.1-41.5173.8-68.8166.6000109.8T812 L819 L820 I829 I833 L845 V849T812-I816 HydrophobicContact CG2-CD1 3.65Å; T812-I816 HydrophobicContact CG2-CG1 4.31Å; T812-I816 VanDerWaalsContact O-CG1 3.31Å; T812-I816 WeakPolarHBondContact O-CG1 3.32Å; T812-I816 PolarHBondContact O-N 3.04Å; I816-L819 PolarHBondContact O-N 3.35Å; I816-L820 HydrophobicContact CG2-CD1 3.92Å; I816-L820 HydrophobicContact CG2-CG 4.38Å; I816-L820 WeakPolarHBondContact O-CB 3.42Å; I816-L820 VanDerWaalsContact O-CG 3.24Å; I816-L820 WeakPolarHBondContact O-CG 3.38Å; I816-L820 PolarHBondContact O-N 2.81Å; I816-I829 HydrophobicContact CG1-CG2 4.48Å; I816-I829 HydrophobicContact CG2-CG2 4.02Å; I816-I833 HydrophobicContact CD1-CD1 3.95Å; I816-I833 HydrophobicContact CD1-CG1 3.5Å; I816-L845 HydrophobicContact CD1-CD1 3.82Å; I816-V849 HydrophobicContact CG2-CG2 4.17Å
817G68.7Low67.1Low0 Ų044.9 Ų44.90%024%0.243CC..Hα-helixtrans-54.5-51.9171.400000113.8P813 A814 V815 L819 L820 D821 R852P813-G817 PolarHBondContact O-N 3.06Å; A814-G817 PolarHBondContact O-N 2.99Å; V815-G817 VanDerWaalsContact C-N 3.26Å; V815-G817 PolarHBondContact O-N 3.18Å; G817-L819 PolarHBondContact O-N 3.29Å; G817-L820 PolarHBondContact O-N 3.06Å; G817-D821 PolarHBondContact O-N 2.76Å; G817-R852 VanDerWaalsContact C-NH2 3.3Å; G817-R852 PolarHBondContact O-NE 2.9Å; G817-R852 PolarHBondContact O-NH2 3.13Å
818G70.3Confident67.4Low1 Ų144.4 Ų44.41%0.0124%0.24CC..Hα-helixtrans-65-33.2177.900000114.3A814 V815 D821 V822A814-G818 PolarHBondContact O-N 2.83Å; V815-G818 PolarHBondContact O-N 2.96Å; G818-D821 PolarHBondContact O-N 2.9Å; G818-V822 WeakPolarHBondContact O-CG2 3.48Å
819L70.6Confident67.8Low6 Ų642.3 Ų42.33%0.03123%0.229CC..Hα-helixtrans-72.1-31.6176.2-73.5168.8000112.8V788 I800 V815 I816 G817 V822 C824 L832V788-L819 HydrophobicContact CG1-CD2 3.61Å; V788-L819 HydrophobicContact CG1-CG 3.91Å; I800-L819 HydrophobicContact CD1-CD2 4.42Å; I800-L819 HydrophobicContact CG2-CD1 4.32Å; V815-L819 HydrophobicContact CG1-CD1 4.04Å; V815-L819 HydrophobicContact CG1-CG 4.5Å; V815-L819 WeakPolarHBondContact O-CG 3.5Å; V815-L819 PolarHBondContact O-N 2.82Å; I816-L819 PolarHBondContact O-N 3.35Å; G817-L819 PolarHBondContact O-N 3.29Å; L819-V822 PolarHBondContact O-N 2.71Å; L819-C824 HydrophobicContact CB-CB 4.27Å; L819-C824 HydrophobicContact CD2-CB 4.4Å; L819-C824 VanDerWaalsContact O-CB 3.31Å; L819-C824 WeakPolarHBondContact O-CB 3.26Å; L819-C824 PolarHBondContact O-N 2.8Å; L819-L832 HydrophobicContact CD1-CD1 4.35Å
820L69.1Low68Low11 Ų1145.4 Ų45.46%0.05824%0.24CC..Hα-helixtrans-69.9-31.2174.7-73.5170.1000112.3I816 G817 V822 D823 I829 R854 L857I816-L820 HydrophobicContact CG2-CD1 3.92Å; I816-L820 HydrophobicContact CG2-CG 4.38Å; I816-L820 WeakPolarHBondContact O-CB 3.42Å; I816-L820 VanDerWaalsContact O-CG 3.24Å; I816-L820 WeakPolarHBondContact O-CG 3.38Å; I816-L820 PolarHBondContact O-N 2.81Å; G817-L820 PolarHBondContact O-N 3.06Å; L820-V822 VanDerWaalsContact C-N 3.25Å; L820-V822 PolarHBondContact O-N 2.97Å; L820-D823 PolarHBondContact O-N 2.91Å; L820-I829 HydrophobicContact CD2-CD1 3.7Å; L820-I829 HydrophobicContact CG-CD1 4.13Å; L820-R854 HydrophobicContact CD1-CB 4.39Å; L820-R854 HydrophobicContact CD2-CB 4.3Å; L820-R854 HydrophobicContact CD2-CG 4.26Å; L820-L857 HydrophobicContact CD2-CD1 3.84Å
821D68.1Low68.4Low82 Ų8249.1 Ų49.144%0.43925%0.251SS..THydrogen-bonded Turntrans-71.7-17176.2-67.5-28000113.6H785 G817 G818 R852H785-D821 IonicContact CE1-OD2 3.67Å; H785-D821 PolarHBondContact CE1-OD2 2.86Å; H785-D821 IonicContact ND1-OD2 3.14Å; G817-D821 PolarHBondContact O-N 2.76Å; G818-D821 PolarHBondContact O-N 2.9Å; D821-R852 VanDerWaalsContact CG-NE 3.28Å; D821-R852 WeakPolarHBondContact OD1-CD 3.45Å; D821-R852 IonicContact OD1-CZ 3.68Å; D821-R852 IonicContact OD1-NE 3.58Å; D821-R852 PolarHBondContact OD1-NE 3.23Å; D821-R852 IonicContact OD1-NH2 3.03Å; D821-R852 IonicContact OD2-CZ 3.93Å; D821-R852 IonicContact OD2-NE 3.46Å; D821-R852 PolarHBondContact OD2-NE 2.99Å; D821-R852 IonicContact OD2-NH2 2.69Å; D821-R852 PolarHBondContact OD2-NH2 3.49Å
822V65.3Low68.5Low37 Ų3743.1 Ų43.122%0.22423%0.229CC..THydrogen-bonded Turntrans-104.911.6-179.1-165.20000111.5L789 Y792 G818 L819 L820 C824L789-V822 HydrophobicContact CD2-CG2 3.41Å; L789-V822 VanDerWaalsContact CD2-CG2 3.41Å; L789-V822 HydrophobicContact CG-CG2 4.3Å; Y792-V822 HydrophobicContact CD1-CG1 3.49Å; Y792-V822 VanDerWaalsContact CD1-CG1 3.49Å; Y792-V822 HydrophobicContact CE1-CG1 3.71Å; Y792-V822 HydrophobicContact CG-CG1 4.29Å; G818-V822 WeakPolarHBondContact O-CG2 3.48Å; L819-V822 PolarHBondContact O-N 2.71Å; L820-V822 VanDerWaalsContact C-N 3.25Å; L820-V822 PolarHBondContact O-N 2.97Å; V822-C824 VanDerWaalsContact C-N 3.3Å; V822-C824 PolarHBondContact O-N 3.14Å
823D62.5Low68.6Low122 Ų12243.2 Ų43.265%0.65223%0.229SC*.THydrogen-bonded Turntrans5243.6-178.2-71.2-43.8000113.6L820 R854L820-D823 PolarHBondContact O-N 2.91Å; D823-R854 IonicContact OD1-NH2 3.03Å; D823-R854 PolarHBondContact OD1-NH2 2.84Å
824C67.9Low68.5Low11 Ų1148.4 Ų48.47%0.07425%0.254CS..  trans-65.7155175.2-161.10000112.2L819 V822L819-C824 HydrophobicContact CB-CB 4.27Å; L819-C824 HydrophobicContact CD2-CB 4.4Å; L819-C824 VanDerWaalsContact O-CB 3.31Å; L819-C824 WeakPolarHBondContact O-CB 3.26Å; L819-C824 PolarHBondContact O-N 2.8Å; V822-C824 VanDerWaalsContact C-N 3.3Å; V822-C824 PolarHBondContact O-N 3.14Å
825S67.5Low68.4Low68 Ų6849 Ų4948%0.47626%0.259SS..  trans-68.7136.1-178.859.50000112.4E827 V828S825-E827 PolarHBondContact O-N 2.8Å; S825-E827 VanDerWaalsContact O-N 3.15Å; S825-V828 PolarHBondContact O-N 3.44Å; S825-V828 WeakPolarHBondContact OG-CG2 3.37Å
826E65.3Low68Low85 Ų8549.5 Ų49.540%0.39726%0.262SS..Hα-helixtrans-62.6-24.7-173.7-63.2-170.816900113.8K830 R854 L857E826-K830 VanDerWaalsContact O-CG 3.29Å; E826-K830 WeakPolarHBondContact O-CG 3.38Å; E826-K830 PolarHBondContact O-N 3.47Å; E826-K830 VanDerWaalsContact O-N 3.07Å; E826-R854 IonicContact OE1-NH1 2.73Å; E826-R854 PolarHBondContact OE1-NH1 3.49Å; E826-R854 VanDerWaalsContact OE1-NH1 3.12Å; E826-L857 HydrophobicContact CB-CD2 3.93Å; E826-L857 HydrophobicContact CG-CD2 4.03Å
827E67.3Low67.4Low160 Ų16056.2 Ų56.275%0.74829%0.288SS*.Hα-helixtrans-67.7-38.3178.2-64.3-176.5170.800112.4S825 K830 H831S825-E827 PolarHBondContact O-N 2.8Å; S825-E827 VanDerWaalsContact O-N 3.15Å; E827-K830 PolarHBondContact O-N 3.19Å; E827-H831 WeakPolarHBondContact O-CB 3.5Å; E827-H831 PolarHBondContact O-N 3.39Å
828V68.4Low66.9Low41 Ų4158.8 Ų58.825%0.24831%0.314CS..Hα-helixtrans-68.2-40.8179.1176.40000110.2S825 H831 L832S825-V828 PolarHBondContact O-N 3.44Å; S825-V828 WeakPolarHBondContact OG-CG2 3.37Å; V828-H831 PolarHBondContact O-N 3.32Å; V828-L832 HydrophobicContact CG1-CD1 4.14Å; V828-L832 WeakPolarHBondContact O-CB 3.22Å; V828-L832 PolarHBondContact O-N 3.24Å
829I69.4Low66.4Low0 Ų065.1 Ų65.10%034%0.343CS..Hα-helixtrans-64.9-44.2177.7-62.6173000110.7I816 L820 L832 I833 L857I816-I829 HydrophobicContact CG1-CG2 4.48Å; I816-I829 HydrophobicContact CG2-CG2 4.02Å; L820-I829 HydrophobicContact CD2-CD1 3.7Å; L820-I829 HydrophobicContact CG-CD1 4.13Å; I829-L832 PolarHBondContact O-N 2.74Å; I829-I833 HydrophobicContact CG2-CD1 3.82Å; I829-I833 WeakPolarHBondContact O-CD1 3.18Å; I829-I833 WeakPolarHBondContact O-CG1 3.5Å; I829-I833 PolarHBondContact O-N 3.39Å; I829-L857 HydrophobicContact CG2-CD1 4.48Å
830K69.9Low66.1Low88 Ų8865.9 Ų65.938%0.38335%0.346SS..Hα-helixtrans-62.6-43176.8-73.9172.1-175173.60112.3E826 E827 L832 I833 M834 L857E826-K830 VanDerWaalsContact O-CG 3.29Å; E826-K830 WeakPolarHBondContact O-CG 3.38Å; E826-K830 PolarHBondContact O-N 3.47Å; E826-K830 VanDerWaalsContact O-N 3.07Å; E827-K830 PolarHBondContact O-N 3.19Å; K830-L832 VanDerWaalsContact C-N 3.33Å; K830-L832 PolarHBondContact O-N 3Å; K830-I833 PolarHBondContact O-N 3.31Å; K830-M834 WeakPolarHBondContact O-CG 3.28Å; K830-M834 PolarHBondContact O-N 3Å; K830-M834 VanDerWaalsContact O-N 3.07Å; K830-L857 HydrophobicContact CG-CD2 4.44Å
831H71.9Confident65.7Low134 Ų13467.9 Ų67.962%0.6236%0.361SS*.Hα-helixtrans-64.5-38.8178.9-150.282.1000111.9E827 V828 A835E827-H831 WeakPolarHBondContact O-CB 3.5Å; E827-H831 PolarHBondContact O-N 3.39Å; V828-H831 PolarHBondContact O-N 3.32Å; H831-A835 WeakPolarHBondContact O-CB 3.47Å; H831-A835 PolarHBondContact O-N 3.01Å
832L69.1Low65.5Low7 Ų764.6 Ų64.64%0.03734%0.344CS..Hα-helixtrans-63-44.7174.4-98152.8000112.7V804 L819 V828 I829 K830 A835 V836V804-L832 HydrophobicContact CB-CD2 3.41Å; V804-L832 VanDerWaalsContact CB-CD2 3.41Å; V804-L832 HydrophobicContact CG1-CD2 3.51Å; V804-L832 HydrophobicContact CG2-CD2 3.69Å; L819-L832 HydrophobicContact CD1-CD1 4.35Å; V828-L832 HydrophobicContact CG1-CD1 4.14Å; V828-L832 WeakPolarHBondContact O-CB 3.22Å; V828-L832 PolarHBondContact O-N 3.24Å; I829-L832 PolarHBondContact O-N 2.74Å; K830-L832 VanDerWaalsContact C-N 3.33Å; K830-L832 PolarHBondContact O-N 3Å; L832-A835 PolarHBondContact O-N 3.34Å; L832-V836 WeakPolarHBondContact O-CG2 3.08Å
833I68.6Low65.4Low3 Ų367.3 Ų67.32%0.01536%0.357CS..Hα-helixtrans-65.8-43.4179.6-66.3157.9000111.2I816 I829 K830 A835 V836 L858 W861I816-I833 HydrophobicContact CD1-CD1 3.95Å; I816-I833 HydrophobicContact CD1-CG1 3.5Å; I829-I833 HydrophobicContact CG2-CD1 3.82Å; I829-I833 WeakPolarHBondContact O-CD1 3.18Å; I829-I833 WeakPolarHBondContact O-CG1 3.5Å; I829-I833 PolarHBondContact O-N 3.39Å; K830-I833 PolarHBondContact O-N 3.31Å; I833-A835 VanDerWaalsContact C-N 3.29Å; I833-A835 PolarHBondContact O-N 3.18Å; I833-V836 PolarHBondContact O-N 3.04Å; I833-L858 HydrophobicContact CD1-CD2 3.82Å; I833-W861 HydrophobicContact CG2-CB 3.97Å; I833-W861 HydrophobicContact CG2-CD2 4.37Å; I833-W861 HydrophobicContact CG2-CG 3.85Å
834M67.3Low65.7Low114 Ų11466.7 Ų66.756%0.56235%0.351SS*.Hα-helixtrans-67.9-27.9-179-70.8-166.477.400113.4K830 V836K830-M834 WeakPolarHBondContact O-CG 3.28Å; K830-M834 PolarHBondContact O-N 3Å; K830-M834 VanDerWaalsContact O-N 3.07Å; M834-V836 VanDerWaalsContact C-N 3.31Å; M834-V836 PolarHBondContact O-N 3.11Å
835A66.7Low65.8Low53 Ų5366.2 Ų66.244%0.43835%0.347SS..Hα-helixtrans-74.7-15.7-178.200000114.4Q805 H831 L832 I833Q805-A835 HydrophobicContact CG-CB 4.42Å; H831-A835 WeakPolarHBondContact O-CB 3.47Å; H831-A835 PolarHBondContact O-N 3.01Å; L832-A835 PolarHBondContact O-N 3.34Å; I833-A835 VanDerWaalsContact C-N 3.29Å; I833-A835 PolarHBondContact O-N 3.18Å
836V63.5Low65.8Low13 Ų1363.3 Ų63.38%0.07933%0.327CS..THydrogen-bonded Turntrans-111.314.4-163.7-174.50000113.1V804 P809 L832 I833 M834 G838 F840V804-V836 HydrophobicContact CG1-CG2 3.68Å; P809-V836 HydrophobicContact CB-CG1 3.76Å; L832-V836 WeakPolarHBondContact O-CG2 3.08Å; I833-V836 PolarHBondContact O-N 3.04Å; M834-V836 VanDerWaalsContact C-N 3.31Å; M834-V836 PolarHBondContact O-N 3.11Å; V836-G838 PolarHBondContact O-N 3.41Å; V836-F840 HydrophobicContact CB-CE1 4.33Å; V836-F840 HydrophobicContact CG1-CD1 4.08Å; V836-F840 HydrophobicContact CG1-CE1 4.07Å
837R57Low65.9Low145 Ų14561.2 Ų61.255%0.54732%0.324SS..THydrogen-bonded Turntrans-27.7112.4-172.8-71.4-168.3178.1-152.7-1.4115.3E868R837-E868 IonicContact NH1-OE1 2.75Å; R837-E868 PolarHBondContact NH1-OE1 2.78Å
838G60Low65.8Low54 Ų5455.9 Ų55.956%0.55730%0.299SS*.THydrogen-bonded Turntrans8916.5156.100000119.1V836V836-G838 PolarHBondContact O-N 3.41Å
839Q58.3Low65.8Low133 Ų13354 Ų5462%0.62129%0.287SS*.  trans-120.416-175.1-64.6-172.3-4.900116.1P809P809-Q839 HydrophobicContact CB-CB 3.97Å
840F65.4Low65.7Low22 Ų2256 Ų5610%0.09630%0.297CS..SBendtrans-137.1155.9178.654.8-98.9000111.7V836 T842 L845 W861V836-F840 HydrophobicContact CB-CE1 4.33Å; V836-F840 HydrophobicContact CG1-CD1 4.08Å; V836-F840 HydrophobicContact CG1-CE1 4.07Å; F840-T842 PolarHBondContact O-N 3.44Å; F840-L845 HydrophobicContact CD2-CB 4.38Å; F840-L845 HydrophobicContact CD2-CD2 4.07Å; F840-L845 HydrophobicContact CE2-CB 4.38Å; F840-L845 HydrophobicContact CE2-CD2 3.32Å; F840-L845 HydrophobicContact CE2-CG 4.4Å; F840-L845 HydrophobicContact CZ-CD2 3.93Å; F840-W861 HydrophobicContact CD2-CH2 4.43Å; F840-W861 HydrophobicContact CE1-CZ2 4.45Å; F840-W861 AromaticContact CE2-CH2 3.42Å; F840-W861 HydrophobicContact CE2-CH2 3.42Å; F840-W861 VanDerWaalsContact CE2-CH2 3.42Å; F840-W861 AromaticContact CE2-CZ2 3.62Å; F840-W861 HydrophobicContact CE2-CZ2 3.62Å; F840-W861 HydrophobicContact CE2-CZ3 4.06Å; F840-W861 AromaticContact CZ-CE2 3.9Å; F840-W861 AromaticContact CZ-CH2 3.78Å; F840-W861 HydrophobicContact CZ-CH2 3.78Å; F840-W861 AromaticContact CZ-CZ2 3.47Å; F840-W861 HydrophobicContact CZ-CZ2 3.47Å; F840-W861 VanDerWaalsContact CZ-CZ2 3.47Å; F840-W861 HydrophobicContact CZ-CZ3 4.46Å
841S60Low65.6Low53 Ų5359 Ų5937%0.37131%0.31SS..  trans-65.6123.9177.7174.10000110.8D843 L845S841-D843 PolarHBondContact OG-N 3Å; S841-L845 PolarHBondContact O-N 3.37Å
842T64.3Low65.2Low14 Ų1455.8 Ų55.89%0.08629%0.292CS..Hα-helixtrans-62.8-40174.937.50000111.6F840 V846 W861F840-T842 PolarHBondContact O-N 3.44Å; T842-V846 WeakPolarHBondContact O-CB 3.25Å; T842-V846 WeakPolarHBondContact O-CG2 3.22Å; T842-V846 PolarHBondContact O-N 2.92Å; T842-V846 VanDerWaalsContact O-N 3.13Å; T842-W861 HydrophobicContact CG2-CH2 3.52Å; T842-W861 HydrophobicContact CG2-CZ3 3.9Å
843D63.9Low65Low93 Ų9361.6 Ų61.650%0.49732%0.324SS..Hα-helixtrans-63.1-45.1178.8-77.5-36.6000113.1S841 V846 A847 A874S841-D843 PolarHBondContact OG-N 3Å; D843-V846 PolarHBondContact O-N 3.37Å; D843-A847 WeakPolarHBondContact O-CB 3.39Å; D843-A847 PolarHBondContact O-N 3.46Å; D843-A874 WeakPolarHBondContact OD1-CB 3.48Å; D843-A874 WeakPolarHBondContact OD2-CB 3.45Å
844E66.9Low64.9Low110 Ų11065.5 Ų65.551%0.51434%0.338SS..Hα-helixtrans-69.6-37.8-179.5-69.3-172.2172.600112.5A847 E848E844-A847 PolarHBondContact O-N 3.27Å; E844-E848 PolarHBondContact O-N 3.27Å; E844-E848 VanDerWaalsContact O-N 3.08Å
845L71Confident64.9Low0 Ų060.4 Ų60.40%031%0.313CS..Hα-helixtrans-61.8-45.4175.5-175.561.3000111.6P813 I816 F840 S841 E848 V849 L858 W861P813-L845 HydrophobicContact CB-CB 4.29Å; P813-L845 HydrophobicContact CB-CD1 3.99Å; P813-L845 HydrophobicContact CG-CB 3.85Å; P813-L845 HydrophobicContact CG-CD1 3.97Å; P813-L845 HydrophobicContact CG-CG 4.49Å; I816-L845 HydrophobicContact CD1-CD1 3.82Å; F840-L845 HydrophobicContact CD2-CB 4.38Å; F840-L845 HydrophobicContact CD2-CD2 4.07Å; F840-L845 HydrophobicContact CE2-CB 4.38Å; F840-L845 HydrophobicContact CE2-CD2 3.32Å; F840-L845 HydrophobicContact CE2-CG 4.4Å; F840-L845 HydrophobicContact CZ-CD2 3.93Å; S841-L845 PolarHBondContact O-N 3.37Å; L845-E848 PolarHBondContact O-N 3.34Å; L845-V849 HydrophobicContact CD1-CG2 4.25Å; L845-V849 VanDerWaalsContact O-CG2 3.3Å; L845-V849 WeakPolarHBondContact O-CG2 2.94Å; L845-V849 PolarHBondContact O-N 3.2Å; L845-L858 HydrophobicContact CD1-CD2 4.42Å; L845-L858 HydrophobicContact CD2-CD1 4.17Å; L845-L858 HydrophobicContact CD2-CD2 3.64Å; L845-L858 HydrophobicContact CG-CD1 3.91Å; L845-L858 HydrophobicContact CG-CD2 4.02Å; L845-W861 HydrophobicContact CD2-CZ3 4.29Å
846V67.9Low64.8Low8 Ų863.9 Ų63.95%0.04832%0.318CS..Hα-helixtrans-66.4-43.2-178.3172.90000109.5T842 D843 E848 V849 E850 L855 L858 A878T842-V846 WeakPolarHBondContact O-CB 3.25Å; T842-V846 WeakPolarHBondContact O-CG2 3.22Å; T842-V846 PolarHBondContact O-N 2.92Å; T842-V846 VanDerWaalsContact O-N 3.13Å; D843-V846 PolarHBondContact O-N 3.37Å; V846-E848 PolarHBondContact O-N 3.47Å; V846-V849 PolarHBondContact O-N 2.88Å; V846-E850 WeakPolarHBondContact O-CB 3.36Å; V846-E850 PolarHBondContact O-N 3.01Å; V846-L855 HydrophobicContact CG1-CD2 3.96Å; V846-L858 HydrophobicContact CG2-CD1 4.21Å; V846-A878 HydrophobicContact CB-CB 4.06Å; V846-A878 HydrophobicContact CG1-CB 3.72Å; V846-A878 HydrophobicContact CG2-CB 3.33Å
847A66.1Low65Low41 Ų4163.9 Ų63.934%0.33932%0.318SS..Hα-helixtrans-62.1-42.3177.300000114D843 E844 E850 K851D843-A847 WeakPolarHBondContact O-CB 3.39Å; D843-A847 PolarHBondContact O-N 3.46Å; E844-A847 PolarHBondContact O-N 3.27Å; A847-E850 PolarHBondContact O-N 3.22Å; A847-K851 WeakPolarHBondContact O-CG 3.3Å; A847-K851 PolarHBondContact O-N 3.46Å
848E66.9Low65.7Low47 Ų4757 Ų5722%0.2229%0.292CS..Hα-helixtrans-71.8-31.5-179.9-80.6-60.5129.600113.6E844 L845 V846 K851 R852E844-E848 PolarHBondContact O-N 3.27Å; E844-E848 VanDerWaalsContact O-N 3.08Å; L845-E848 PolarHBondContact O-N 3.34Å; V846-E848 PolarHBondContact O-N 3.47Å; E848-K851 IonicContact OE1-NZ 2.81Å; E848-K851 PolarHBondContact OE1-NZ 3.28Å; E848-R852 PolarHBondContact O-NH1 3.44Å; E848-R852 IonicContact OE2-CZ 3.58Å; E848-R852 IonicContact OE2-NH1 2.62Å; E848-R852 PolarHBondContact OE2-NH1 2.99Å
849V68.5Low66.1Low1 Ų156 Ų561%0.00627%0.274CS..Hα-helixtrans-80.4-31.9174.9179.90000111.2I816 L845 V846 R852 N853 R854 L855 L858I816-V849 HydrophobicContact CG2-CG2 4.17Å; L845-V849 HydrophobicContact CD1-CG2 4.25Å; L845-V849 VanDerWaalsContact O-CG2 3.3Å; L845-V849 WeakPolarHBondContact O-CG2 2.94Å; L845-V849 PolarHBondContact O-N 3.2Å; V846-V849 PolarHBondContact O-N 2.88Å; V849-R852 CarbonylContact O-C 3.58Å; V849-R852 PolarHBondContact O-N 2.98Å; V849-N853 PolarHBondContact O-N 2.94Å; V849-R854 HydrophobicContact CG1-CB 4.37Å; V849-R854 VanDerWaalsContact CG1-O 3.23Å; V849-R854 WeakPolarHBondContact CG1-O 2.87Å; V849-R854 PolarHBondContact O-N 2.88Å; V849-L855 HydrophobicContact CB-CD2 4.46Å; V849-L855 HydrophobicContact CG1-CD2 4.36Å; V849-L855 HydrophobicContact CG1-CG 4.35Å; V849-L858 HydrophobicContact CB-CD1 4.18Å; V849-L858 HydrophobicContact CG1-CD1 4.37Å; V849-L858 HydrophobicContact CG2-CD1 4.11Å
850E65.4Low66.7Low43 Ų4353.3 Ų53.320%0.20127%0.267CS..Hα-helixtrans-64.3-45.7173.8-176.8172.4179.600111.5V846 A847 R852 N853 L855 K881 Y908V846-E850 WeakPolarHBondContact O-CB 3.36Å; V846-E850 PolarHBondContact O-N 3.01Å; A847-E850 PolarHBondContact O-N 3.22Å; E850-R852 PolarHBondContact O-N 3.38Å; E850-R852 VanDerWaalsContact O-N 3.08Å; E850-N853 PolarHBondContact O-N 3.37Å; E850-N853 PolarHBondContact O-OD1 3.25Å; E850-L855 HydrophobicContact CB-CD1 3.82Å; E850-L855 HydrophobicContact CB-CD2 4.19Å; E850-L855 HydrophobicContact CB-CG 4.14Å; E850-L855 HydrophobicContact CG-CD1 3.91Å; E850-K881 VanDerWaalsContact CD-NZ 3.28Å; E850-K881 IonicContact OE1-NZ 3.38Å; E850-K881 PolarHBondContact OE1-NZ 3.41Å; E850-K881 IonicContact OE2-NZ 3.64Å; E850-K881 PolarHBondContact OE2-NZ 3.14Å; E850-Y908 WeakPolarHBondContact OE1-CD2 2.99Å; E850-Y908 WeakPolarHBondContact OE1-CE2 3.33Å
851K68.9Low67.1Low151 Ų15153.1 Ų53.166%0.65727%0.266SS*.THydrogen-bonded Turntrans-54.5-29.9174.7-77.2176.1-169.31670113.7A847 E848A847-K851 WeakPolarHBondContact O-CG 3.3Å; A847-K851 PolarHBondContact O-N 3.46Å; E848-K851 IonicContact OE1-NZ 2.81Å; E848-K851 PolarHBondContact OE1-NZ 3.28Å
852R64Low67.6Low66 Ų6650.6 Ų50.625%0.24925%0.248CC..THydrogen-bonded Turntrans-103.39.4-178-63.2-179175.295.8-10.3113.4G817 D821 E848 V849 E850 R854G817-R852 VanDerWaalsContact C-NH2 3.3Å; G817-R852 PolarHBondContact O-NE 2.9Å; G817-R852 PolarHBondContact O-NH2 3.13Å; D821-R852 VanDerWaalsContact CG-NE 3.28Å; D821-R852 WeakPolarHBondContact OD1-CD 3.45Å; D821-R852 IonicContact OD1-CZ 3.68Å; D821-R852 IonicContact OD1-NE 3.58Å; D821-R852 PolarHBondContact OD1-NE 3.23Å; D821-R852 IonicContact OD1-NH2 3.03Å; D821-R852 IonicContact OD2-CZ 3.93Å; D821-R852 IonicContact OD2-NE 3.46Å; D821-R852 PolarHBondContact OD2-NE 2.99Å; D821-R852 IonicContact OD2-NH2 2.69Å; D821-R852 PolarHBondContact OD2-NH2 3.49Å; E848-R852 PolarHBondContact O-NH1 3.44Å; E848-R852 IonicContact OE2-CZ 3.58Å; E848-R852 IonicContact OE2-NH1 2.62Å; E848-R852 PolarHBondContact OE2-NH1 2.99Å; V849-R852 CarbonylContact O-C 3.58Å; V849-R852 PolarHBondContact O-N 2.98Å; E850-R852 PolarHBondContact O-N 3.38Å; E850-R852 VanDerWaalsContact O-N 3.08Å; R852-R854 VanDerWaalsContact C-N 3.26Å; R852-R854 WeakPolarHBondContact O-CG 3.37Å; R852-R854 PolarHBondContact O-N 3.21Å
853N64.1Low68Low130 Ų13053.3 Ų53.370%0.69526%0.26SS*.THydrogen-bonded Turntrans55.227.5177.6-70.7-30.5000115.8V849 E850V849-N853 PolarHBondContact O-N 2.94Å; E850-N853 PolarHBondContact O-N 3.37Å; E850-N853 PolarHBondContact O-OD1 3.25Å
854R67.3Low68.4Low85 Ų8550.5 Ų50.532%0.32125%0.248SC..  trans-114.732.2-178.3-63.3-127.4-166.1-175.17.9114.3L820 D823 E826 V849 R852 K856 L857L820-R854 HydrophobicContact CD1-CB 4.39Å; L820-R854 HydrophobicContact CD2-CB 4.3Å; L820-R854 HydrophobicContact CD2-CG 4.26Å; D823-R854 IonicContact OD1-NH2 3.03Å; D823-R854 PolarHBondContact OD1-NH2 2.84Å; E826-R854 IonicContact OE1-NH1 2.73Å; E826-R854 PolarHBondContact OE1-NH1 3.49Å; E826-R854 VanDerWaalsContact OE1-NH1 3.12Å; V849-R854 HydrophobicContact CG1-CB 4.37Å; V849-R854 VanDerWaalsContact CG1-O 3.23Å; V849-R854 WeakPolarHBondContact CG1-O 2.87Å; V849-R854 PolarHBondContact O-N 2.88Å; R852-R854 VanDerWaalsContact C-N 3.26Å; R852-R854 WeakPolarHBondContact O-CG 3.37Å; R852-R854 PolarHBondContact O-N 3.21Å; R854-K856 VanDerWaalsContact C-N 3.26Å; R854-K856 PolarHBondContact O-N 3.28Å; R854-K856 VanDerWaalsContact O-N 3.14Å; R854-L857 HydrophobicContact CB-CD1 3.96Å; R854-L857 PolarHBondContact O-N 3.3Å
855L66.1Low68.3Low6 Ų646.9 Ų46.93%0.03123%0.231CC..G310 helixtrans-57.4-26.8-174-85.2162.5000115.7V846 V849 E850 L857 L858 I882V846-L855 HydrophobicContact CG1-CD2 3.96Å; V849-L855 HydrophobicContact CB-CD2 4.46Å; V849-L855 HydrophobicContact CG1-CD2 4.36Å; V849-L855 HydrophobicContact CG1-CG 4.35Å; E850-L855 HydrophobicContact CB-CD1 3.82Å; E850-L855 HydrophobicContact CB-CD2 4.19Å; E850-L855 HydrophobicContact CB-CG 4.14Å; E850-L855 HydrophobicContact CG-CD1 3.91Å; L855-L857 PolarHBondContact O-N 3Å; L855-L857 VanDerWaalsContact O-N 3.08Å; L855-L858 PolarHBondContact O-N 3.01Å; L855-L858 VanDerWaalsContact O-N 3.16Å; L855-I882 HydrophobicContact CB-CG1 3.97Å; L855-I882 HydrophobicContact CD2-CD1 4.3Å; L855-I882 HydrophobicContact CD2-CG1 4.17Å
856K64.4Low68Low127 Ų12749.3 Ų49.355%0.55224%0.244SC*.G310 helixtrans-61-19.5179-63.3-166.8177.7-1760114.1R854 L858 D885 S886R854-K856 VanDerWaalsContact C-N 3.26Å; R854-K856 PolarHBondContact O-N 3.28Å; R854-K856 VanDerWaalsContact O-N 3.14Å; K856-L858 PolarHBondContact O-N 3.49Å; K856-D885 WeakPolarHBondContact CE-O 3.4Å; K856-S886 WeakPolarHBondContact CE-OG 2.95Å
857L69.3Low67.9Low13 Ų1357.5 Ų57.57%0.06828%0.281CS..G310 helixtrans-65.5-23.6177.8-69.8170000113.2L820 E826 I829 K830 R854 L855L820-L857 HydrophobicContact CD2-CD1 3.84Å; E826-L857 HydrophobicContact CB-CD2 3.93Å; E826-L857 HydrophobicContact CG-CD2 4.03Å; I829-L857 HydrophobicContact CG2-CD1 4.48Å; K830-L857 HydrophobicContact CG-CD2 4.44Å; R854-L857 HydrophobicContact CB-CD1 3.96Å; R854-L857 PolarHBondContact O-N 3.3Å; L855-L857 PolarHBondContact O-N 3Å; L855-L857 VanDerWaalsContact O-N 3.08Å
858L70.2Confident67.9Low1 Ų161.2 Ų61.21%0.00529%0.292CS..G310 helixtrans-91.2-9.3-175.3-60.8179.9000114.4I833 L845 V846 V849 L855 K856 W861 L862 I882I833-L858 HydrophobicContact CD1-CD2 3.82Å; L845-L858 HydrophobicContact CD1-CD2 4.42Å; L845-L858 HydrophobicContact CD2-CD1 4.17Å; L845-L858 HydrophobicContact CD2-CD2 3.64Å; L845-L858 HydrophobicContact CG-CD1 3.91Å; L845-L858 HydrophobicContact CG-CD2 4.02Å; V846-L858 HydrophobicContact CG2-CD1 4.21Å; V849-L858 HydrophobicContact CB-CD1 4.18Å; V849-L858 HydrophobicContact CG1-CD1 4.37Å; V849-L858 HydrophobicContact CG2-CD1 4.11Å; L855-L858 PolarHBondContact O-N 3.01Å; L855-L858 VanDerWaalsContact O-N 3.16Å; K856-L858 PolarHBondContact O-N 3.49Å; L858-W861 PolarHBondContact O-N 3.29Å; L858-W861 VanDerWaalsContact O-N 3.13Å; L858-L862 HydrophobicContact CB-CD1 4.23Å; L858-L862 PolarHBondContact O-N 3Å; L858-I882 HydrophobicContact CB-CD1 4.1Å
859L69.7Low67.4Low33 Ų3361.7 Ų61.717%0.17331%0.309CS..Hα-helixtrans-56.4-48.4-171-169.1157.2000113.7W861 L862 E863 I882 Y883L859-W861 PolarHBondContact O-N 3.35Å; L859-W861 VanDerWaalsContact O-N 3.15Å; L859-L862 PolarHBondContact O-N 3.28Å; L859-E863 HydrophobicContact CD2-CG 4.42Å; L859-E863 WeakPolarHBondContact CD2-OE1 3.49Å; L859-E863 WeakPolarHBondContact O-CG 3.47Å; L859-E863 PolarHBondContact O-N 2.88Å; L859-I882 HydrophobicContact CB-CG2 4.02Å; L859-I882 HydrophobicContact CD1-CG2 3.76Å; L859-I882 HydrophobicContact CG-CG2 4.05Å; L859-Y883 HydrophobicContact CD1-CE1 4.39Å; L859-Y883 HydrophobicContact CG-CE1 4.47Å
860P71.2Confident67.1Low75 Ų7563.6 Ų63.649%0.48732%0.322SS..Hα-helixtrans-65.2-22.6-179.1-19.432.4000113.9
861W72.8Confident66.8Low18 Ų1867.6 Ų67.67%0.06834%0.341CS..Hα-helixtrans-85-43.6-177.8177.575.8000111.8I833 F840 T842 L845 L858 L859 E863 S864 Q865I833-W861 HydrophobicContact CG2-CB 3.97Å; I833-W861 HydrophobicContact CG2-CD2 4.37Å; I833-W861 HydrophobicContact CG2-CG 3.85Å; F840-W861 HydrophobicContact CD2-CH2 4.43Å; F840-W861 HydrophobicContact CE1-CZ2 4.45Å; F840-W861 AromaticContact CE2-CH2 3.42Å; F840-W861 HydrophobicContact CE2-CH2 3.42Å; F840-W861 VanDerWaalsContact CE2-CH2 3.42Å; F840-W861 AromaticContact CE2-CZ2 3.62Å; F840-W861 HydrophobicContact CE2-CZ2 3.62Å; F840-W861 HydrophobicContact CE2-CZ3 4.06Å; F840-W861 AromaticContact CZ-CE2 3.9Å; F840-W861 AromaticContact CZ-CH2 3.78Å; F840-W861 HydrophobicContact CZ-CH2 3.78Å; F840-W861 AromaticContact CZ-CZ2 3.47Å; F840-W861 HydrophobicContact CZ-CZ2 3.47Å; F840-W861 VanDerWaalsContact CZ-CZ2 3.47Å; F840-W861 HydrophobicContact CZ-CZ3 4.46Å; T842-W861 HydrophobicContact CG2-CH2 3.52Å; T842-W861 HydrophobicContact CG2-CZ3 3.9Å; L845-W861 HydrophobicContact CD2-CZ3 4.29Å; L858-W861 PolarHBondContact O-N 3.29Å; L858-W861 VanDerWaalsContact O-N 3.13Å; L859-W861 PolarHBondContact O-N 3.35Å; L859-W861 VanDerWaalsContact O-N 3.15Å; W861-E863 VanDerWaalsContact C-N 3.34Å; W861-E863 PolarHBondContact O-N 3.47Å; W861-S864 PolarHBondContact O-N 3.38Å; W861-Q865 HydrophobicContact CZ2-CG 4.4Å; W861-Q865 PolarHBondContact O-N 2.98Å
862L70.3Confident66.8Low0 Ų065.3 Ų65.30%033%0.332CS..Hα-helixtrans-65.4-36.4178.6-68.1167.7000112.3L858 L859 S864 Q865 I866 T875 A878 L879 I882L858-L862 HydrophobicContact CB-CD1 4.23Å; L858-L862 PolarHBondContact O-N 3Å; L859-L862 PolarHBondContact O-N 3.28Å; L862-S864 VanDerWaalsContact C-N 3.33Å; L862-S864 PolarHBondContact O-N 3.36Å; L862-Q865 PolarHBondContact O-N 3.11Å; L862-I866 PolarHBondContact O-N 3.41Å; L862-T875 HydrophobicContact CD2-CG2 3.88Å; L862-A878 HydrophobicContact CD1-CB 4.33Å; L862-L879 HydrophobicContact CB-CD1 3.46Å; L862-L879 VanDerWaalsContact CB-CD1 3.46Å; L862-L879 HydrophobicContact CD1-CD1 4.21Å; L862-L879 HydrophobicContact CG-CD1 4.48Å; L862-I882 HydrophobicContact CD1-CD1 3.28Å
863E73.3Confident66.7Low72 Ų7265.5 Ų65.534%0.33634%0.342SS..Hα-helixtrans-63.3-38.1176.1-71.8179.2163.400112.4L859 W861 Q865 I866 Q867 L879 Y883L859-E863 HydrophobicContact CD2-CG 4.42Å; L859-E863 WeakPolarHBondContact CD2-OE1 3.49Å; L859-E863 WeakPolarHBondContact O-CG 3.47Å; L859-E863 PolarHBondContact O-N 2.88Å; W861-E863 VanDerWaalsContact C-N 3.34Å; W861-E863 PolarHBondContact O-N 3.47Å; E863-Q865 VanDerWaalsContact C-N 3.28Å; E863-Q865 PolarHBondContact O-N 3.19Å; E863-I866 PolarHBondContact O-N 3.02Å; E863-Q867 PolarHBondContact O-N 3.43Å; E863-L879 HydrophobicContact CG-CD1 4.2Å; E863-Y883 VanDerWaalsContact CG-OH 3.3Å; E863-Y883 WeakPolarHBondContact CG-OH 3.33Å; E863-Y883 WeakPolarHBondContact OE1-CE1 3.46Å; E863-Y883 PolarHBondContact OE1-OH 2.88Å
864S71.8Confident66.8Low34 Ų3459.9 Ų59.924%0.23831%0.314CS..Hα-helixtrans-65.9-29.3176.1-176.30000112.9W861 L862 E868W861-S864 PolarHBondContact O-N 3.38Å; L862-S864 VanDerWaalsContact C-N 3.33Å; L862-S864 PolarHBondContact O-N 3.36Å; S864-E868 WeakPolarHBondContact O-CG 3.32Å
865Q64.6Low66.8Low33 Ų3356 Ų5615%0.15430%0.299CS..Hα-helixtrans-76.5-32.7-179.8-72.7-67.3-71.800112.6W861 L862 E863 E868 T875W861-Q865 HydrophobicContact CZ2-CG 4.4Å; W861-Q865 PolarHBondContact O-N 2.98Å; L862-Q865 PolarHBondContact O-N 3.11Å; E863-Q865 VanDerWaalsContact C-N 3.28Å; E863-Q865 PolarHBondContact O-N 3.19Å; Q865-E868 PolarHBondContact NE2-OE2 2.95Å; Q865-E868 VanDerWaalsContact NE2-OE2 3.15Å; Q865-E868 PolarHBondContact O-N 3.08Å; Q865-T875 HydrophobicContact CB-CG2 4.42Å
866I65.4Low66.9Low52 Ų5256 Ų5627%0.26730%0.299SS..Hα-helixtrans-72.7-35.8177.3-70.5170.9000111L862 E863 E868 G869 L879 F893L862-I866 PolarHBondContact O-N 3.41Å; E863-I866 PolarHBondContact O-N 3.02Å; I866-E868 PolarHBondContact O-N 3.36Å; I866-G869 PolarHBondContact O-N 3.37Å; I866-L879 HydrophobicContact CD1-CD2 3.32Å; I866-L879 HydrophobicContact CD1-CG 4.35Å; I866-F893 HydrophobicContact CD1-CE2 4.33Å
867Q66.6Low67.1Low180 Ų18050.8 Ų50.884%0.84128%0.278SS*.Hα-helixtrans-67.2-21.1176-148.2163.924.100112.9E863 G869E863-Q867 PolarHBondContact O-N 3.43Å; Q867-G869 VanDerWaalsContact C-N 3.34Å
868E65.8Low67.1Low119 Ų11950.3 Ų50.356%0.55628%0.275SS*.THydrogen-bonded Turntrans-85.5-2.2173.2-71.1174.6177.200113R837 S864 Q865 I866R837-E868 IonicContact NH1-OE1 2.75Å; R837-E868 PolarHBondContact NH1-OE1 2.78Å; S864-E868 WeakPolarHBondContact O-CG 3.32Å; Q865-E868 PolarHBondContact NE2-OE2 2.95Å; Q865-E868 VanDerWaalsContact NE2-OE2 3.15Å; Q865-E868 PolarHBondContact O-N 3.08Å; I866-E868 PolarHBondContact O-N 3.36Å
869G56.9Low67.1Low57 Ų5750.4 Ų50.459%0.58828%0.276SS*.THydrogen-bonded Turntrans87.224.6171.800000115.7I866 Q867I866-G869 PolarHBondContact O-N 3.37Å; Q867-G869 VanDerWaalsContact C-N 3.34Å
870C61.3Low67Low41 Ų4148.9 Ų48.928%0.27727%0.268SS..  trans-72.1131.5-179.5-155.90000111.8H876C870-H876 PolarHBondContact O-CE1 3.14Å
871E59.6Low67Low127 Ų12746.6 Ų46.659%0.59325%0.251SS*.  trans-99.94.1-176.6-64.9-177.4168.300114
872E67.5Low66.8Low103 Ų10345.8 Ų45.848%0.48125%0.247SC..  trans-65.2129.2-173.8-76.7-174.2164.600113.2A874 T875 H876E872-A874 VanDerWaalsContact C-N 3.31Å; E872-A874 PolarHBondContact O-N 2.9Å; E872-T875 PolarHBondContact O-N 3.28Å; E872-H876 PolarHBondContact O-N 3.32Å; E872-H876 PolarHBondContact O-ND1 2.65Å
873P63.6Low66.8Low70 Ų7047.1 Ų47.146%0.45525%0.253SS..Hα-helixtrans-61.3-34.2179.7-25.734.2000114.1T875 H876 N877 Y899P873-T875 PolarHBondContact O-N 3.16Å; P873-H876 PolarHBondContact O-N 3.37Å; P873-N877 VanDerWaalsContact O-CB 3.3Å; P873-N877 WeakPolarHBondContact O-CB 3.22Å; P873-N877 PolarHBondContact O-N 3.48Å; P873-N877 PolarHBondContact O-ND2 3.46Å; P873-N877 PolarHBondContact O-OD1 2.78Å; P873-Y899 WeakPolarHBondContact CA-O 3.3Å; P873-Y899 WeakPolarHBondContact CB-O 3.38Å
874A64.5Low66.5Low12 Ų1244.4 Ų44.410%0.09924%0.24CC..Hα-helixtrans-55.9-50178.100000113.4D843 E872 H876 N877 A878D843-A874 WeakPolarHBondContact OD1-CB 3.48Å; D843-A874 WeakPolarHBondContact OD2-CB 3.45Å; E872-A874 VanDerWaalsContact C-N 3.31Å; E872-A874 PolarHBondContact O-N 2.9Å; A874-H876 VanDerWaalsContact C-N 3.33Å; A874-H876 PolarHBondContact O-N 2.57Å; A874-N877 PolarHBondContact O-N 3.07Å; A874-A878 WeakPolarHBondContact O-CB 3.29Å; A874-A878 PolarHBondContact O-N 2.9Å
875T68.4Low66.2Low2 Ų244.4 Ų44.41%0.01224%0.238CC..Hα-helixtrans-64.2-40.4-179.5-51.90000111L862 Q865 E872 P873 L879L862-T875 HydrophobicContact CD2-CG2 3.88Å; Q865-T875 HydrophobicContact CB-CG2 4.42Å; E872-T875 PolarHBondContact O-N 3.28Å; P873-T875 PolarHBondContact O-N 3.16Å; T875-L879 WeakPolarHBondContact O-CB 3.3Å; T875-L879 PolarHBondContact O-N 3.24Å
876H66.9Low66.2Low6 Ų644.2 Ų44.23%0.02824%0.24CC..Hα-helixtrans-71.7-38.2176.7-67.1104.8000112.9C870 E872 P873 A874 A880 F893 N897C870-H876 PolarHBondContact O-CE1 3.14Å; E872-H876 PolarHBondContact O-N 3.32Å; E872-H876 PolarHBondContact O-ND1 2.65Å; P873-H876 PolarHBondContact O-N 3.37Å; A874-H876 VanDerWaalsContact C-N 3.33Å; A874-H876 PolarHBondContact O-N 2.57Å; H876-A880 VanDerWaalsContact O-CB 3.31Å; H876-A880 WeakPolarHBondContact O-CB 3.49Å; H876-A880 PolarHBondContact O-N 2.87Å; H876-F893 HydrophobicContact CB-CZ 4.48Å; H876-F893 AromaticContact CD2-CZ 3.99Å; H876-F893 WeakPolarHBondContact O-CE1 3.32Å; H876-N897 PolarHBondContact CD2-ND2 3.45Å; H876-N897 PolarHBondContact NE2-ND2 2.97Å
877N70.6Confident66Low19 Ų1948 Ų4810%0.10226%0.26CS..Hα-helixtrans-62.6-45.8173.9-68.6-14.1000110.6P873 A874 A880 K881 Y900 D901 V905P873-N877 VanDerWaalsContact O-CB 3.3Å; P873-N877 WeakPolarHBondContact O-CB 3.22Å; P873-N877 PolarHBondContact O-N 3.48Å; P873-N877 PolarHBondContact O-ND2 3.46Å; P873-N877 PolarHBondContact O-OD1 2.78Å; A874-N877 PolarHBondContact O-N 3.07Å; N877-A880 WeakPolarHBondContact O-CB 3.32Å; N877-A880 PolarHBondContact O-N 2.88Å; N877-K881 WeakPolarHBondContact O-CG 3.2Å; N877-K881 PolarHBondContact O-N 2.89Å; N877-Y900 WeakPolarHBondContact OD1-CA 3.49Å; N877-Y900 WeakPolarHBondContact OD1-CB 3.46Å; N877-D901 PolarHBondContact OD1-N 2.88Å; N877-V905 HydrophobicContact CB-CG2 4.02Å; N877-V905 WeakPolarHBondContact OD1-CG2 3.32Å
878A67.7Low65.8Low3 Ų343.2 Ų43.23%0.02524%0.241CC..Hα-helixtrans-64.8-43.7178.900000113.3V846 L862 A874 A880 K881 I882V846-A878 HydrophobicContact CB-CB 4.06Å; V846-A878 HydrophobicContact CG1-CB 3.72Å; V846-A878 HydrophobicContact CG2-CB 3.33Å; L862-A878 HydrophobicContact CD1-CB 4.33Å; A874-A878 WeakPolarHBondContact O-CB 3.29Å; A874-A878 PolarHBondContact O-N 2.9Å; A878-A880 VanDerWaalsContact C-N 3.35Å; A878-K881 PolarHBondContact O-N 3.03Å; A878-I882 WeakPolarHBondContact O-CB 3.43Å; A878-I882 WeakPolarHBondContact O-CG1 3.13Å; A878-I882 PolarHBondContact O-N 2.89Å
879L70.8Confident65.4Low2 Ų241.1 Ų41.11%0.0124%0.239CC..Hα-helixtrans-66.3-38.7175.6-165.189000111.3L862 E863 I866 T875 K881 I882 Y883 F893L862-L879 HydrophobicContact CB-CD1 3.46Å; L862-L879 VanDerWaalsContact CB-CD1 3.46Å; L862-L879 HydrophobicContact CD1-CD1 4.21Å; L862-L879 HydrophobicContact CG-CD1 4.48Å; E863-L879 HydrophobicContact CG-CD1 4.2Å; I866-L879 HydrophobicContact CD1-CD2 3.32Å; I866-L879 HydrophobicContact CD1-CG 4.35Å; T875-L879 WeakPolarHBondContact O-CB 3.3Å; T875-L879 PolarHBondContact O-N 3.24Å; L879-K881 PolarHBondContact O-N 3.49Å; L879-I882 PolarHBondContact O-N 2.81Å; L879-Y883 HydrophobicContact CD1-CE2 4.08Å; L879-Y883 HydrophobicContact CD2-CD2 3.73Å; L879-Y883 HydrophobicContact CD2-CE2 3.13Å; L879-Y883 HydrophobicContact CG-CD2 3.72Å; L879-Y883 HydrophobicContact CG-CE2 3.46Å; L879-Y883 VanDerWaalsContact CG-CE2 3.46Å; L879-Y883 HydrophobicContact CG-CG 4.43Å; L879-Y883 WeakPolarHBondContact O-CB 3.41Å; L879-Y883 PolarHBondContact O-N 3.43Å; L879-F893 HydrophobicContact CB-CZ 4.15Å; L879-F893 HydrophobicContact CD2-CD2 3.97Å; L879-F893 HydrophobicContact CD2-CE1 4.26Å; L879-F893 HydrophobicContact CD2-CE2 3.28Å; L879-F893 HydrophobicContact CD2-CZ 3.44Å; L879-F893 VanDerWaalsContact CD2-CZ 3.44Å; L879-F893 HydrophobicContact CG-CE2 4.5Å; L879-F893 HydrophobicContact CG-CZ 4.33Å
880A66.8Low65.6Low1 Ų138.8 Ų38.81%0.00821%0.214CC..Hα-helixtrans-55.5-53.2171.300000110.1H876 N877 A878 I882 Y883 I884 F893 L894 V905H876-A880 VanDerWaalsContact O-CB 3.31Å; H876-A880 WeakPolarHBondContact O-CB 3.49Å; H876-A880 PolarHBondContact O-N 2.87Å; N877-A880 WeakPolarHBondContact O-CB 3.32Å; N877-A880 PolarHBondContact O-N 2.88Å; A878-A880 VanDerWaalsContact C-N 3.35Å; A880-I882 VanDerWaalsContact C-N 3.31Å; A880-I882 PolarHBondContact O-N 3.17Å; A880-Y883 PolarHBondContact O-N 2.72Å; A880-I884 WeakPolarHBondContact O-CB 3.38Å; A880-I884 WeakPolarHBondContact O-CD1 3.1Å; A880-I884 WeakPolarHBondContact O-CG1 3.32Å; A880-I884 PolarHBondContact O-N 3.19Å; A880-F893 HydrophobicContact CB-CD1 4.07Å; A880-F893 HydrophobicContact CB-CE1 3.85Å; A880-L894 HydrophobicContact CB-CD2 4.09Å; A880-V905 HydrophobicContact CB-CG1 4.07Å; A880-V905 HydrophobicContact CB-CG2 4.36Å
881K71.1Confident65.6Low28 Ų2841 Ų4112%0.12222%0.22CC..Hα-helixtrans-56.1-42.1177-66.2-171.3179-171.80112.7E850 N877 A878 L879 D885 Y908E850-K881 VanDerWaalsContact CD-NZ 3.28Å; E850-K881 IonicContact OE1-NZ 3.38Å; E850-K881 PolarHBondContact OE1-NZ 3.41Å; E850-K881 IonicContact OE2-NZ 3.64Å; E850-K881 PolarHBondContact OE2-NZ 3.14Å; N877-K881 WeakPolarHBondContact O-CG 3.2Å; N877-K881 PolarHBondContact O-N 2.89Å; A878-K881 PolarHBondContact O-N 3.03Å; L879-K881 PolarHBondContact O-N 3.49Å; K881-D885 WeakPolarHBondContact O-CB 3.45Å; K881-D885 PolarHBondContact O-N 3.16Å; K881-Y908 HydrophobicContact CB-CD1 4.05Å; K881-Y908 HydrophobicContact CB-CE1 3.64Å; K881-Y908 HydrophobicContact CD-CD1 3.82Å; K881-Y908 HydrophobicContact CD-CD2 3.98Å; K881-Y908 HydrophobicContact CD-CE1 3.78Å; K881-Y908 HydrophobicContact CD-CE2 4Å; K881-Y908 HydrophobicContact CD-CG 3.87Å; K881-Y908 HydrophobicContact CG-CD1 3.45Å; K881-Y908 VanDerWaalsContact CG-CD1 3.45Å; K881-Y908 HydrophobicContact CG-CE1 3.53Å; K881-Y908 HydrophobicContact CG-CG 3.94Å
882I70.3Confident65.6Low0 Ų037.9 Ų37.90%021%0.211CC..Hα-helixtrans-70.4-41.7-179.5-75.1161.6000112.3L855 L858 L859 L862 A878 L879 A880 I884 D885 S886L855-I882 HydrophobicContact CB-CG1 3.97Å; L855-I882 HydrophobicContact CD2-CD1 4.3Å; L855-I882 HydrophobicContact CD2-CG1 4.17Å; L858-I882 HydrophobicContact CB-CD1 4.1Å; L859-I882 HydrophobicContact CB-CG2 4.02Å; L859-I882 HydrophobicContact CD1-CG2 3.76Å; L859-I882 HydrophobicContact CG-CG2 4.05Å; L862-I882 HydrophobicContact CD1-CD1 3.28Å; A878-I882 WeakPolarHBondContact O-CB 3.43Å; A878-I882 WeakPolarHBondContact O-CG1 3.13Å; A878-I882 PolarHBondContact O-N 2.89Å; L879-I882 PolarHBondContact O-N 2.81Å; A880-I882 VanDerWaalsContact C-N 3.31Å; A880-I882 PolarHBondContact O-N 3.17Å; I882-I884 VanDerWaalsContact C-N 3.32Å; I882-D885 PolarHBondContact O-N 3.18Å; I882-S886 WeakPolarHBondContact O-CB 3.42Å; I882-S886 PolarHBondContact O-N 2.76Å; I882-S886 PolarHBondContact O-OG 3.13Å
883Y69Low65.7Low29 Ų2934.2 Ų34.211%0.11419%0.194CC..Hα-helixtrans-67.8-33.8175.7-76-32000112.1L859 E863 L879 A880 N887 N888 F893L859-Y883 HydrophobicContact CD1-CE1 4.39Å; L859-Y883 HydrophobicContact CG-CE1 4.47Å; E863-Y883 VanDerWaalsContact CG-OH 3.3Å; E863-Y883 WeakPolarHBondContact CG-OH 3.33Å; E863-Y883 WeakPolarHBondContact OE1-CE1 3.46Å; E863-Y883 PolarHBondContact OE1-OH 2.88Å; L879-Y883 HydrophobicContact CD1-CE2 4.08Å; L879-Y883 HydrophobicContact CD2-CD2 3.73Å; L879-Y883 HydrophobicContact CD2-CE2 3.13Å; L879-Y883 HydrophobicContact CG-CD2 3.72Å; L879-Y883 HydrophobicContact CG-CE2 3.46Å; L879-Y883 VanDerWaalsContact CG-CE2 3.46Å; L879-Y883 HydrophobicContact CG-CG 4.43Å; L879-Y883 WeakPolarHBondContact O-CB 3.41Å; L879-Y883 PolarHBondContact O-N 3.43Å; A880-Y883 PolarHBondContact O-N 2.72Å; Y883-N887 WeakPolarHBondContact O-CA 3.25Å; Y883-N887 PolarHBondContact O-N 2.85Å; Y883-N888 HydrophobicContact CD1-CB 3.99Å; Y883-N888 PolarHBondContact O-N 2.78Å; Y883-F893 HydrophobicContact CD2-CB 4.17Å; Y883-F893 HydrophobicContact CD2-CD1 4.36Å; Y883-F893 HydrophobicContact CD2-CD2 4.11Å; Y883-F893 AromaticContact CD2-CG 3.94Å; Y883-F893 HydrophobicContact CD2-CG 3.94Å; Y883-F893 AromaticContact CE2-CD2 3.96Å; Y883-F893 HydrophobicContact CE2-CD2 3.96Å; Y883-F893 HydrophobicContact CE2-CE2 4.37Å; Y883-F893 HydrophobicContact CE2-CG 4.26Å
884I67.4Low65.8Low15 Ų1531 Ų318%0.07717%0.173CC..Hα-helixtrans-63-48.2170.2-66.2159000110.2A880 I882 S886 N887 P890 V905 C909 L916A880-I884 WeakPolarHBondContact O-CB 3.38Å; A880-I884 WeakPolarHBondContact O-CD1 3.1Å; A880-I884 WeakPolarHBondContact O-CG1 3.32Å; A880-I884 PolarHBondContact O-N 3.19Å; I882-I884 VanDerWaalsContact C-N 3.32Å; I884-S886 VanDerWaalsContact C-N 3.34Å; I884-S886 PolarHBondContact O-N 3.31Å; I884-N887 PolarHBondContact O-N 3.42Å; I884-P890 HydrophobicContact CG1-CB 3.82Å; I884-V905 HydrophobicContact CD1-CG1 4.4Å; I884-C909 WeakPolarHBondContact CD1-SG 3.24Å; I884-L916 HydrophobicContact CB-CD1 4.3Å; I884-L916 HydrophobicContact CG1-CD1 3.94Å; I884-L916 HydrophobicContact CG2-CD1 3.79Å
885D66.4Low65.8Low34 Ų3438.6 Ų38.618%0.18220%0.199CC..Hα-helixtrans-70.2-27.8179.7-72.71.7000114.2K856 K881 I882 Y908 R912K856-D885 WeakPolarHBondContact CE-O 3.4Å; K881-D885 WeakPolarHBondContact O-CB 3.45Å; K881-D885 PolarHBondContact O-N 3.16Å; I882-D885 PolarHBondContact O-N 3.18Å; D885-Y908 PolarHBondContact OD2-OH 3.48Å; D885-R912 WeakPolarHBondContact OD1-CD 3.21Å; D885-R912 IonicContact OD1-CZ 3.72Å; D885-R912 IonicContact OD1-NE 3.47Å; D885-R912 PolarHBondContact OD1-NE 3.01Å; D885-R912 IonicContact OD1-NH1 2.74Å; D885-R912 PolarHBondContact OD1-NH1 3.49Å; D885-R912 IonicContact OD2-CZ 2.7Å; D885-R912 IonicContact OD2-NH1 3.28Å; D885-R912 PolarHBondContact OD2-NH1 3.5Å; D885-R912 IonicContact OD2-NH2 2.95Å; D885-R912 PolarHBondContact OD2-NH2 3.46Å
886S62.9Low65.4Low28 Ų2845.9 Ų45.920%0.19623%0.233CC..Hα-helixtrans-93.9-5.1-179.5-52.80000112.9K856 I882 I884 N888K856-S886 WeakPolarHBondContact CE-OG 2.95Å; I882-S886 WeakPolarHBondContact O-CB 3.42Å; I882-S886 PolarHBondContact O-N 2.76Å; I882-S886 PolarHBondContact O-OG 3.13Å; I884-S886 VanDerWaalsContact C-N 3.34Å; I884-S886 PolarHBondContact O-N 3.31Å; S886-N888 PolarHBondContact O-N 3.43Å
887N61.6Low65.3Low131 Ų13146.7 Ų46.770%0.70124%0.237SC*.THydrogen-bonded Turntrans50.837.7-176.1-14810.3000113Y883 I884Y883-N887 WeakPolarHBondContact O-CA 3.25Å; Y883-N887 PolarHBondContact O-N 2.85Å; I884-N887 PolarHBondContact O-N 3.42Å
888N62.1Low64.9Low80 Ų8048.5 Ų48.543%0.42826%0.255SS..SBendtrans-104.592.8-177.6-167.523000109.2Y883 S886 P890Y883-N888 HydrophobicContact CD1-CB 3.99Å; Y883-N888 PolarHBondContact O-N 2.78Å; S886-N888 PolarHBondContact O-N 3.43Å; N888-P890 VanDerWaalsContact C-N 3.33Å; N888-P890 WeakPolarHBondContact O-CD 3.48Å; N888-P890 VanDerWaalsContact O-N 3.09Å
889S58.2Low64.6Low75 Ų7553.9 Ų53.952%0.52428%0.276SS..SBendtrans3551.5-177.660.10000116E891 C892 F893S889-E891 VanDerWaalsContact C-N 3.28Å; S889-E891 PolarHBondContact O-N 2.96Å; S889-C892 PolarHBondContact O-N 2.71Å; S889-F893 PolarHBondContact O-N 3.2Å
890P61.3Low64.6Low9 Ų954.3 Ų54.36%0.05828%0.277CS..Hα-helixtrans-62.3-33.4-176.524.4-33.1000112.9I884 N888 C892 F893 L894 L916I884-P890 HydrophobicContact CG1-CB 3.82Å; N888-P890 VanDerWaalsContact C-N 3.33Å; N888-P890 WeakPolarHBondContact O-CD 3.48Å; N888-P890 VanDerWaalsContact O-N 3.09Å; P890-C892 PolarHBondContact O-N 3Å; P890-F893 PolarHBondContact O-N 3.46Å; P890-L894 WeakPolarHBondContact O-CB 3.33Å; P890-L894 VanDerWaalsContact O-CG 3.27Å; P890-L894 WeakPolarHBondContact O-CG 3.23Å; P890-L894 PolarHBondContact O-N 2.93Å; P890-L916 HydrophobicContact CB-CD1 4.09Å; P890-L916 HydrophobicContact CB-CD2 4.22Å; P890-L916 HydrophobicContact CG-CD1 3.88Å; P890-L916 HydrophobicContact CG-CD2 4.09Å
891E60.1Low64.7Low88 Ų8857.6 Ų57.641%0.41130%0.295SS..Hα-helixtrans-64-38.7178.9-67-175.7169.500113.5S889 L894 R895 H915 L916S889-E891 VanDerWaalsContact C-N 3.28Å; S889-E891 PolarHBondContact O-N 2.96Å; E891-L894 PolarHBondContact O-N 3.28Å; E891-R895 WeakPolarHBondContact O-CG 3.29Å; E891-R895 PolarHBondContact O-N 3.32Å; E891-R895 VanDerWaalsContact O-N 3.13Å; E891-H915 IonicContact OE1-CD2 2.73Å; E891-H915 IonicContact OE1-NE2 3.81Å; E891-L916 HydrophobicContact CG-CD2 3.61Å
892C60.4Low64.6Low60 Ų6056.8 Ų56.841%0.40529%0.292SS..Hα-helixtrans-66.8-44.3180-153.10000109.9S889 P890 L894 R895 E896S889-C892 PolarHBondContact O-N 2.71Å; P890-C892 PolarHBondContact O-N 3Å; C892-L894 PolarHBondContact O-N 3.35Å; C892-R895 PolarHBondContact O-N 3.15Å; C892-E896 WeakPolarHBondContact O-CB 3.32Å; C892-E896 WeakPolarHBondContact O-CG 3.48Å; C892-E896 PolarHBondContact O-N 2.85Å
893F68.8Low64.6Low26 Ų2658.6 Ų58.611%0.11431%0.305CS..Hα-helixtrans-63.5-42.9177.7-174.1-97.3000112.5I866 H876 L879 A880 Y883 S889 P890 R895 N897I866-F893 HydrophobicContact CD1-CE2 4.33Å; H876-F893 HydrophobicContact CB-CZ 4.48Å; H876-F893 AromaticContact CD2-CZ 3.99Å; H876-F893 WeakPolarHBondContact O-CE1 3.32Å; L879-F893 HydrophobicContact CB-CZ 4.15Å; L879-F893 HydrophobicContact CD2-CD2 3.97Å; L879-F893 HydrophobicContact CD2-CE1 4.26Å; L879-F893 HydrophobicContact CD2-CE2 3.28Å; L879-F893 HydrophobicContact CD2-CZ 3.44Å; L879-F893 VanDerWaalsContact CD2-CZ 3.44Å; L879-F893 HydrophobicContact CG-CE2 4.5Å; L879-F893 HydrophobicContact CG-CZ 4.33Å; A880-F893 HydrophobicContact CB-CD1 4.07Å; A880-F893 HydrophobicContact CB-CE1 3.85Å; Y883-F893 HydrophobicContact CD2-CB 4.17Å; Y883-F893 HydrophobicContact CD2-CD1 4.36Å; Y883-F893 HydrophobicContact CD2-CD2 4.11Å; Y883-F893 AromaticContact CD2-CG 3.94Å; Y883-F893 HydrophobicContact CD2-CG 3.94Å; Y883-F893 AromaticContact CE2-CD2 3.96Å; Y883-F893 HydrophobicContact CE2-CD2 3.96Å; Y883-F893 HydrophobicContact CE2-CE2 4.37Å; Y883-F893 HydrophobicContact CE2-CG 4.26Å; S889-F893 PolarHBondContact O-N 3.2Å; P890-F893 PolarHBondContact O-N 3.46Å; F893-R895 VanDerWaalsContact C-N 3.27Å; F893-R895 PolarHBondContact O-N 3.44Å; F893-N897 HydrophobicContact CE2-CB 4.37Å; F893-N897 VanDerWaalsContact CE2-ND2 3.32Å; F893-N897 WeakPolarHBondContact CE2-ND2 3.13Å; F893-N897 HydrophobicContact CZ-CB 4.36Å; F893-N897 WeakPolarHBondContact CZ-ND2 3.47Å; F893-N897 WeakPolarHBondContact O-CB 3.49Å; F893-N897 PolarHBondContact O-N 2.79Å
894L66.4Low64.6Low2 Ų260.5 Ų60.51%0.0132%0.32CS..Hα-helixtrans-68-23.9178.2-69.2172000113.1A880 P890 E891 C892 Y900 V905 L916 V919A880-L894 HydrophobicContact CB-CD2 4.09Å; P890-L894 WeakPolarHBondContact O-CB 3.33Å; P890-L894 VanDerWaalsContact O-CG 3.27Å; P890-L894 WeakPolarHBondContact O-CG 3.23Å; P890-L894 PolarHBondContact O-N 2.93Å; E891-L894 PolarHBondContact O-N 3.28Å; C892-L894 PolarHBondContact O-N 3.35Å; L894-Y900 HydrophobicContact CD2-CE1 4.3Å; L894-Y900 HydrophobicContact CD2-CE2 4.07Å; L894-Y900 WeakPolarHBondContact O-CE1 3.28Å; L894-Y900 VanDerWaalsContact O-CZ 3.31Å; L894-Y900 PolarHBondContact O-OH 2.83Å; L894-V905 HydrophobicContact CD2-CG1 3.9Å; L894-L916 HydrophobicContact CD1-CB 4.26Å; L894-L916 HydrophobicContact CD1-CD2 4.25Å; L894-V919 HydrophobicContact CB-CG1 4.01Å
895R64.4Low64.7Low173 Ų17359.8 Ų59.865%0.65332%0.316SS*.Hα-helixtrans-89.9-40.1177.9-74.6-178.6174-174.7-1.6113.7E891 C892 F893 V919E891-R895 WeakPolarHBondContact O-CG 3.29Å; E891-R895 PolarHBondContact O-N 3.32Å; E891-R895 VanDerWaalsContact O-N 3.13Å; C892-R895 PolarHBondContact O-N 3.15Å; F893-R895 VanDerWaalsContact C-N 3.27Å; F893-R895 PolarHBondContact O-N 3.44Å; R895-V919 HydrophobicContact CG-CG1 4.06Å
896E61.3Low64.8Low155 Ų15558.2 Ų58.272%0.72431%0.307SS*.Hα-helixtrans-84.1-25.4-173.6-68.5-179.7157.500113.2C892C892-E896 WeakPolarHBondContact O-CB 3.32Å; C892-E896 WeakPolarHBondContact O-CG 3.48Å; C892-E896 PolarHBondContact O-N 2.85Å
897N64.3Low65Low22 Ų2263.8 Ų63.812%0.11832%0.324CS..  trans-88.5122.1-172.1-156.7-44.1000112.8H876 F893 Y899 Y900 R923H876-N897 PolarHBondContact CD2-ND2 3.45Å; H876-N897 PolarHBondContact NE2-ND2 2.97Å; F893-N897 HydrophobicContact CE2-CB 4.37Å; F893-N897 VanDerWaalsContact CE2-ND2 3.32Å; F893-N897 WeakPolarHBondContact CE2-ND2 3.13Å; F893-N897 HydrophobicContact CZ-CB 4.36Å; F893-N897 WeakPolarHBondContact CZ-ND2 3.47Å; F893-N897 WeakPolarHBondContact O-CB 3.49Å; F893-N897 PolarHBondContact O-N 2.79Å; N897-Y899 PolarHBondContact OD1-N 2.91Å; N897-Y899 VanDerWaalsContact OD1-N 3.17Å; N897-Y900 HydrophobicContact CB-CD1 4.22Å; N897-Y900 WeakPolarHBondContact O-CD1 3.29Å; N897-Y900 VanDerWaalsContact O-CE1 3.32Å; N897-Y900 WeakPolarHBondContact O-CE1 3.2Å; N897-R923 PolarHBondContact O-NE 2.86Å; N897-R923 PolarHBondContact O-NH1 2.87Å
898A61.4Low65.3Low57 Ų5759.1 Ų59.147%0.47130%0.297SS..SBendtrans-86.6-3.6-175.300000115R923A898-R923 PolarHBondContact O-NH2 2.84Å
899Y62.8Low65.4Low117 Ų11755.3 Ų55.346%0.45928%0.276SS..SBendtrans-118.5-0-164.5-56.7-69.3000115.6P873 N897P873-Y899 WeakPolarHBondContact CA-O 3.3Å; P873-Y899 WeakPolarHBondContact CB-O 3.38Å; N897-Y899 PolarHBondContact OD1-N 2.91Å; N897-Y899 VanDerWaalsContact OD1-N 3.17Å
900Y69.6Low65.7Low10 Ų1054.5 Ų54.54%0.03926%0.264CS..SBendtrans-82.5153174.776.2-93.7000112.8N877 L894 N897 V905 A920 R923N877-Y900 WeakPolarHBondContact OD1-CA 3.49Å; N877-Y900 WeakPolarHBondContact OD1-CB 3.46Å; L894-Y900 HydrophobicContact CD2-CE1 4.3Å; L894-Y900 HydrophobicContact CD2-CE2 4.07Å; L894-Y900 WeakPolarHBondContact O-CE1 3.28Å; L894-Y900 VanDerWaalsContact O-CZ 3.31Å; L894-Y900 PolarHBondContact O-OH 2.83Å; N897-Y900 HydrophobicContact CB-CD1 4.22Å; N897-Y900 WeakPolarHBondContact O-CD1 3.29Å; N897-Y900 VanDerWaalsContact O-CE1 3.32Å; N897-Y900 WeakPolarHBondContact O-CE1 3.2Å; Y900-V905 HydrophobicContact CD2-CB 4.27Å; Y900-V905 HydrophobicContact CD2-CG2 4.06Å; Y900-A920 HydrophobicContact CE2-CB 4.3Å; Y900-R923 PolarHBondContact O-NH1 3.45Å; Y900-R923 VanDerWaalsContact O-NH1 3.13Å; Y900-R923 VanDerWaalsContact OH-CD 3.28Å; Y900-R923 WeakPolarHBondContact OH-CD 3.47Å
901D69.1Low65.9Low71 Ų7163.2 Ų63.238%0.3830%0.301SS..  trans-87.8110.4175.8-174.8-21.1000110.6N877 S903 V904 V905N877-D901 PolarHBondContact OD1-N 2.88Å; D901-S903 VanDerWaalsContact C-N 3.28Å; D901-S903 PolarHBondContact O-N 3.45Å; D901-S903 PolarHBondContact OD1-N 2.91Å; D901-S903 PolarHBondContact OD1-OG 3.49Å; D901-V904 PolarHBondContact O-N 3.21Å; D901-V905 WeakPolarHBondContact O-CG2 3.31Å; D901-V905 PolarHBondContact O-N 3.41Å
902S69.6Low66.1Low10 Ų1064.6 Ų64.67%0.0730%0.303CS..Hα-helixtrans-60.1-30.6-177.3-73.90000114.3G906 A920 G924S902-G906 WeakPolarHBondContact O-CA 3.37Å; S902-G906 PolarHBondContact O-N 3.29Å; S902-A920 WeakPolarHBondContact CB-O 3.34Å; S902-A920 PolarHBondContact OG-O 2.8Å; S902-G924 PolarHBondContact OG-N 3.09Å
903S70.1Confident66.3Low38 Ų3864.8 Ų64.827%0.26630%0.3SS..Hα-helixtrans-75.3-41.1-176.468.90000112.4D901 R907D901-S903 VanDerWaalsContact C-N 3.28Å; D901-S903 PolarHBondContact O-N 3.45Å; D901-S903 PolarHBondContact OD1-N 2.91Å; D901-S903 PolarHBondContact OD1-OG 3.49Å; S903-R907 WeakPolarHBondContact O-CG 3.27Å; S903-R907 PolarHBondContact O-N 3.03Å; S903-R907 VanDerWaalsContact O-N 3.16Å
904V69Low66.2Low70 Ų7064.9 Ų64.942%0.42430%0.303SS..Hα-helixtrans-76-44.3-178.6178.60000110.9D901 Y908D901-V904 PolarHBondContact O-N 3.21Å; V904-Y908 PolarHBondContact O-N 2.91Å
905V69.4Low66.3Low0 Ų067.6 Ų67.60%032%0.316CS..Hα-helixtrans-67.8-41.2176.2177.90000110.2N877 A880 I884 L894 Y900 D901 R907 Y908 C909 A920N877-V905 HydrophobicContact CB-CG2 4.02Å; N877-V905 WeakPolarHBondContact OD1-CG2 3.32Å; A880-V905 HydrophobicContact CB-CG1 4.07Å; A880-V905 HydrophobicContact CB-CG2 4.36Å; I884-V905 HydrophobicContact CD1-CG1 4.4Å; L894-V905 HydrophobicContact CD2-CG1 3.9Å; Y900-V905 HydrophobicContact CD2-CB 4.27Å; Y900-V905 HydrophobicContact CD2-CG2 4.06Å; D901-V905 WeakPolarHBondContact O-CG2 3.31Å; D901-V905 PolarHBondContact O-N 3.41Å; V905-R907 PolarHBondContact O-N 2.9Å; V905-Y908 PolarHBondContact O-N 3.37Å; V905-C909 PolarHBondContact O-N 3.47Å; V905-C909 PolarHBondContact O-SG 2.73Å; V905-A920 HydrophobicContact CG1-CB 4.25Å
906G67.8Low66.5Low0 Ų059.7 Ų59.70%029%0.286CS..Hα-helixtrans-54.5-53.2175.100000112.5S902 Y908 C909 E910 Y921S902-G906 WeakPolarHBondContact O-CA 3.37Å; S902-G906 PolarHBondContact O-N 3.29Å; G906-Y908 PolarHBondContact O-N 2.98Å; G906-C909 WeakPolarHBondContact O-CB 3.45Å; G906-C909 PolarHBondContact O-N 3.13Å; G906-E910 WeakPolarHBondContact O-CG 3.1Å; G906-E910 PolarHBondContact O-N 3.48Å; G906-Y921 VanDerWaalsContact C-CZ 3.44Å; G906-Y921 VanDerWaalsContact CA-CZ 3.46Å
907R68.3Low66.8Low146 Ų14652.3 Ų52.355%0.55125%0.252SS*.Hα-helixtrans-63.3-29.6179.4-75.1-175.5-174.1164.97113.4S903 V905 Y921 E929S903-R907 WeakPolarHBondContact O-CG 3.27Å; S903-R907 PolarHBondContact O-N 3.03Å; S903-R907 VanDerWaalsContact O-N 3.16Å; V905-R907 PolarHBondContact O-N 2.9Å; R907-Y921 WeakPolarHBondContact CA-OH 3.38Å; R907-Y921 VanDerWaalsContact CG-OH 3.23Å; R907-Y921 WeakPolarHBondContact CG-OH 3.28Å; R907-Y921 PolarHBondContact N-OH 3.19Å; R907-E929 IonicContact CZ-OE1 2.59Å; R907-E929 IonicContact NH2-OE1 2.87Å; R907-E929 PolarHBondContact NH2-OE1 3.13Å
908Y66.9Low66.8Low32 Ų3251.6 Ų51.613%0.12525%0.249CC..Hα-helixtrans-71.8-41.1174.6-174.9-100.3000111.6E850 K881 D885 V904 V905 G906 E910 R912E850-Y908 WeakPolarHBondContact OE1-CD2 2.99Å; E850-Y908 WeakPolarHBondContact OE1-CE2 3.33Å; K881-Y908 HydrophobicContact CB-CD1 4.05Å; K881-Y908 HydrophobicContact CB-CE1 3.64Å; K881-Y908 HydrophobicContact CD-CD1 3.82Å; K881-Y908 HydrophobicContact CD-CD2 3.98Å; K881-Y908 HydrophobicContact CD-CE1 3.78Å; K881-Y908 HydrophobicContact CD-CE2 4Å; K881-Y908 HydrophobicContact CD-CG 3.87Å; K881-Y908 HydrophobicContact CG-CD1 3.45Å; K881-Y908 VanDerWaalsContact CG-CD1 3.45Å; K881-Y908 HydrophobicContact CG-CE1 3.53Å; K881-Y908 HydrophobicContact CG-CG 3.94Å; D885-Y908 PolarHBondContact OD2-OH 3.48Å; V904-Y908 PolarHBondContact O-N 2.91Å; V905-Y908 PolarHBondContact O-N 3.37Å; G906-Y908 PolarHBondContact O-N 2.98Å; Y908-E910 VanDerWaalsContact C-N 3.34Å; Y908-E910 PolarHBondContact O-N 3.49Å; Y908-R912 PolarHBondContact OH-NE 3.49Å; Y908-R912 VanDerWaalsContact OH-NE 3.11Å; Y908-R912 PolarHBondContact OH-NH2 3.31Å
909C63.6Low67.2Low0 Ų049.4 Ų49.40%023%0.229CC..Hα-helixtrans-65.8-34176.8-64.90000112.7I884 V905 G906 K911 R912 D913 L916 A917I884-C909 WeakPolarHBondContact CD1-SG 3.24Å; V905-C909 PolarHBondContact O-N 3.47Å; V905-C909 PolarHBondContact O-SG 2.73Å; G906-C909 WeakPolarHBondContact O-CB 3.45Å; G906-C909 PolarHBondContact O-N 3.13Å; C909-K911 PolarHBondContact O-N 3.03Å; C909-R912 PolarHBondContact O-N 3.18Å; C909-D913 CarbonylContact O-C 3.55Å; C909-D913 PolarHBondContact O-N 3.45Å; C909-D913 VanDerWaalsContact O-O 3.08Å; C909-L916 HydrophobicContact CB-CB 4.41Å; C909-A917 HydrophobicContact CB-CB 3.44Å; C909-A917 VanDerWaalsContact CB-CB 3.44Å; C909-A917 VanDerWaalsContact CB-N 3.28Å
910E66Low67.5Low58 Ų5843.8 Ų43.827%0.27121%0.207SC..THydrogen-bonded Turntrans-48.6-35179.8-72.9178.2172.300113.4G906 Y908 A917 Y921 V933G906-E910 WeakPolarHBondContact O-CG 3.1Å; G906-E910 PolarHBondContact O-N 3.48Å; Y908-E910 VanDerWaalsContact C-N 3.34Å; Y908-E910 PolarHBondContact O-N 3.49Å; E910-A917 HydrophobicContact CG-CB 4.27Å; E910-Y921 HydrophobicContact CG-CE2 4.16Å; E910-Y921 PolarHBondContact OE1-OH 2.77Å; E910-V933 VanDerWaalsContact CD-CG2 3.44Å; E910-V933 HydrophobicContact CG-CB 4.44Å; E910-V933 HydrophobicContact CG-CG1 4.04Å; E910-V933 HydrophobicContact CG-CG2 3.47Å; E910-V933 VanDerWaalsContact CG-CG2 3.47Å; E910-V933 WeakPolarHBondContact OE1-CG2 3.07Å
911K64.4Low67.6Low193 Ų19343.3 Ų43.384%0.83921%0.205SC*.THydrogen-bonded Turntrans-90.6-16.2-176.7-66.2-176.8-179.3176.90114.7C909C909-K911 PolarHBondContact O-N 3.03Å
912R64.8Low67.5Low116 Ų11643.8 Ų43.844%0.43821%0.205SC..THydrogen-bonded Turntrans-114.1-56-172.6-71.9-170.7-179.4-1326112.7D885 Y908 C909D885-R912 WeakPolarHBondContact OD1-CD 3.21Å; D885-R912 IonicContact OD1-CZ 3.72Å; D885-R912 IonicContact OD1-NE 3.47Å; D885-R912 PolarHBondContact OD1-NE 3.01Å; D885-R912 IonicContact OD1-NH1 2.74Å; D885-R912 PolarHBondContact OD1-NH1 3.49Å; D885-R912 IonicContact OD2-CZ 2.7Å; D885-R912 IonicContact OD2-NH1 3.28Å; D885-R912 PolarHBondContact OD2-NH1 3.5Å; D885-R912 IonicContact OD2-NH2 2.95Å; D885-R912 PolarHBondContact OD2-NH2 3.46Å; Y908-R912 PolarHBondContact OH-NE 3.49Å; Y908-R912 VanDerWaalsContact OH-NE 3.11Å; Y908-R912 PolarHBondContact OH-NH2 3.31Å; C909-R912 PolarHBondContact O-N 3.18Å
913D65.4Low67.4Low65 Ų6548 Ų4835%0.34822%0.219SC..  trans-13999174.4-167.1-24.3000108.5C909 H915 L916 A917C909-D913 CarbonylContact O-C 3.55Å; C909-D913 PolarHBondContact O-N 3.45Å; C909-D913 VanDerWaalsContact O-O 3.08Å; D913-H915 PolarHBondContact O-N 3.34Å; D913-H915 VanDerWaalsContact O-N 3.08Å; D913-H915 VanDerWaalsContact OD1-CB 3.3Å; D913-H915 WeakPolarHBondContact OD1-CB 3.31Å; D913-H915 PolarHBondContact OD1-N 2.73Å; D913-L916 HydrophobicContact CB-CB 4.35Å; D913-L916 HydrophobicContact CB-CD1 3.89Å; D913-L916 HydrophobicContact CB-CG 4.13Å; D913-L916 PolarHBondContact O-N 3.47Å; D913-L916 VanDerWaalsContact O-N 3.14Å; D913-A917 PolarHBondContact O-N 3.14Å
914P66.9Low67Low27 Ų2747.7 Ų47.718%0.17522%0.223CC..Hα-helixtrans-57.1-21.7178.8-27.837.7000113.4A917 C918 V933 N937 L939P914-A917 WeakPolarHBondContact O-CB 2.99Å; P914-A917 PolarHBondContact O-N 3.12Å; P914-C918 PolarHBondContact O-N 2.74Å; P914-C918 PolarHBondContact O-SG 2.74Å; P914-V933 HydrophobicContact CB-CG1 4.48Å; P914-N937 HydrophobicContact CB-CB 3.92Å; P914-N937 HydrophobicContact CG-CB 4.05Å; P914-L939 HydrophobicContact CB-CD1 3.31Å; P914-L939 HydrophobicContact CB-CG 4.12Å; P914-L939 WeakPolarHBondContact O-CD1 3.47Å
915H66.8Low66.6Low60 Ų6051.8 Ų51.828%0.27824%0.237SC..Hα-helixtrans-72.2-40.8177.5-16659000112.2E891 D913 A917 C918 V919E891-H915 IonicContact OE1-CD2 2.73Å; E891-H915 IonicContact OE1-NE2 3.81Å; D913-H915 PolarHBondContact O-N 3.34Å; D913-H915 VanDerWaalsContact O-N 3.08Å; D913-H915 VanDerWaalsContact OD1-CB 3.3Å; D913-H915 WeakPolarHBondContact OD1-CB 3.31Å; D913-H915 PolarHBondContact OD1-N 2.73Å; H915-A917 VanDerWaalsContact C-N 3.25Å; H915-A917 PolarHBondContact O-N 2.92Å; H915-C918 WeakPolarHBondContact O-CB 3.49Å; H915-C918 PolarHBondContact O-N 2.9Å; H915-V919 PolarHBondContact O-N 3.07Å
916L69.5Low66.5Low6 Ų653.3 Ų53.33%0.03125%0.248CC..Hα-helixtrans-70.3-26.2177.2-62.8172.6000111.6I884 P890 E891 L894 C909 D913 V919 A920I884-L916 HydrophobicContact CB-CD1 4.3Å; I884-L916 HydrophobicContact CG1-CD1 3.94Å; I884-L916 HydrophobicContact CG2-CD1 3.79Å; P890-L916 HydrophobicContact CB-CD1 4.09Å; P890-L916 HydrophobicContact CB-CD2 4.22Å; P890-L916 HydrophobicContact CG-CD1 3.88Å; P890-L916 HydrophobicContact CG-CD2 4.09Å; E891-L916 HydrophobicContact CG-CD2 3.61Å; L894-L916 HydrophobicContact CD1-CB 4.26Å; L894-L916 HydrophobicContact CD1-CD2 4.25Å; C909-L916 HydrophobicContact CB-CB 4.41Å; D913-L916 HydrophobicContact CB-CB 4.35Å; D913-L916 HydrophobicContact CB-CD1 3.89Å; D913-L916 HydrophobicContact CB-CG 4.13Å; D913-L916 PolarHBondContact O-N 3.47Å; D913-L916 VanDerWaalsContact O-N 3.14Å; L916-V919 PolarHBondContact O-N 2.87Å; L916-A920 PolarHBondContact O-N 2.79Å
917A67.3Low66.4Low0 Ų055 Ų550%026%0.256CS..Hα-helixtrans-63.5-43.9171.600000111C909 E910 D913 P914 H915 V919 A920 Y921 V933C909-A917 HydrophobicContact CB-CB 3.44Å; C909-A917 VanDerWaalsContact CB-CB 3.44Å; C909-A917 VanDerWaalsContact CB-N 3.28Å; E910-A917 HydrophobicContact CG-CB 4.27Å; D913-A917 PolarHBondContact O-N 3.14Å; P914-A917 WeakPolarHBondContact O-CB 2.99Å; P914-A917 PolarHBondContact O-N 3.12Å; H915-A917 VanDerWaalsContact C-N 3.25Å; H915-A917 PolarHBondContact O-N 2.92Å; A917-V919 VanDerWaalsContact C-N 3.33Å; A917-V919 PolarHBondContact O-N 2.85Å; A917-A920 PolarHBondContact O-N 2.8Å; A917-Y921 HydrophobicContact CB-CD2 4.36Å; A917-Y921 HydrophobicContact CB-CE2 4.2Å; A917-Y921 WeakPolarHBondContact O-CD2 3.07Å; A917-Y921 PolarHBondContact O-N 2.76Å; A917-V933 HydrophobicContact CB-CG1 4.29Å
918C65.2Low66.3Low8 Ų853 Ų535%0.05426%0.257CS..Hα-helixtrans-58.8-44.1177.7-60.90000111.6P914 H915 A920 Y921 E922 C934P914-C918 PolarHBondContact O-N 2.74Å; P914-C918 PolarHBondContact O-SG 2.74Å; H915-C918 WeakPolarHBondContact O-CB 3.49Å; H915-C918 PolarHBondContact O-N 2.9Å; C918-A920 PolarHBondContact O-N 2.88Å; C918-Y921 PolarHBondContact O-N 3.43Å; C918-E922 VanDerWaalsContact O-CB 3.26Å; C918-E922 WeakPolarHBondContact O-CB 3.38Å; C918-E922 PolarHBondContact O-N 2.93Å; C918-C934 PolarHBondContact SG-SG 2.78Å
919V69.7Low66.2Low10 Ų1054.2 Ų54.26%0.06126%0.263CS..Hα-helixtrans-64.7-39.6179.2-1800000111.8L894 R895 H915 L916 A917L894-V919 HydrophobicContact CB-CG1 4.01Å; R895-V919 HydrophobicContact CG-CG1 4.06Å; H915-V919 PolarHBondContact O-N 3.07Å; L916-V919 PolarHBondContact O-N 2.87Å; A917-V919 VanDerWaalsContact C-N 3.33Å; A917-V919 PolarHBondContact O-N 2.85Å
920A67.6Low66.5Low0 Ų054.2 Ų54.20%026%0.263CS..Hα-helixtrans-66.8-42.6177.500000112Y900 S902 V905 L916 A917 C918Y900-A920 HydrophobicContact CE2-CB 4.3Å; S902-A920 WeakPolarHBondContact CB-O 3.34Å; S902-A920 PolarHBondContact OG-O 2.8Å; V905-A920 HydrophobicContact CG1-CB 4.25Å; L916-A920 PolarHBondContact O-N 2.79Å; A917-A920 PolarHBondContact O-N 2.8Å; C918-A920 PolarHBondContact O-N 2.88Å
921Y72.7Confident66.7Low0 Ų052 Ų520%025%0.253CS..Hα-helixtrans-71.4-33.5178.2-71.7-51.5000113.6G906 R907 E910 A917 C918 R923 G924 Q925 C926 E929 V933G906-Y921 VanDerWaalsContact C-CZ 3.44Å; G906-Y921 VanDerWaalsContact CA-CZ 3.46Å; R907-Y921 WeakPolarHBondContact CA-OH 3.38Å; R907-Y921 VanDerWaalsContact CG-OH 3.23Å; R907-Y921 WeakPolarHBondContact CG-OH 3.28Å; R907-Y921 PolarHBondContact N-OH 3.19Å; E910-Y921 HydrophobicContact CG-CE2 4.16Å; E910-Y921 PolarHBondContact OE1-OH 2.77Å; A917-Y921 HydrophobicContact CB-CD2 4.36Å; A917-Y921 HydrophobicContact CB-CE2 4.2Å; A917-Y921 WeakPolarHBondContact O-CD2 3.07Å; A917-Y921 PolarHBondContact O-N 2.76Å; C918-Y921 PolarHBondContact O-N 3.43Å; Y921-R923 VanDerWaalsContact C-N 3.27Å; Y921-R923 PolarHBondContact O-N 3.28Å; Y921-G924 PolarHBondContact O-N 2.79Å; Y921-G924 VanDerWaalsContact O-N 3.12Å; Y921-Q925 PolarHBondContact O-N 2.92Å; Y921-C926 HydrophobicContact CD1-CB 3.84Å; Y921-C926 PolarHBondContact O-N 2.91Å; Y921-E929 HydrophobicContact CD1-CB 4.48Å; Y921-E929 HydrophobicContact CE1-CB 4.15Å; Y921-V933 HydrophobicContact CE2-CG2 4.18Å
922E66.1Low66.9Low80 Ų8049.1 Ų49.137%0.37424%0.24SC..Hα-helixtrans-57.6-40.7176.6173.9170.2-152.400111.7C918 L930 Y946C918-E922 VanDerWaalsContact O-CB 3.26Å; C918-E922 WeakPolarHBondContact O-CB 3.38Å; C918-E922 PolarHBondContact O-N 2.93Å; E922-L930 HydrophobicContact CB-CD1 4.41Å; E922-Y946 HydrophobicContact CB-CD2 3.98Å; E922-Y946 HydrophobicContact CB-CE2 3.86Å; E922-Y946 HydrophobicContact CG-CD2 3.79Å; E922-Y946 HydrophobicContact CG-CE2 3.77Å
923R67.8Low67.1Low98 Ų9843.8 Ų43.837%0.3722%0.221SC..Hα-helixtrans-67.4-36.5176.1-174.3-177.2175-116.8-31.1113.3N897 A898 Y900 Y921N897-R923 PolarHBondContact O-NE 2.86Å; N897-R923 PolarHBondContact O-NH1 2.87Å; A898-R923 PolarHBondContact O-NH2 2.84Å; Y900-R923 PolarHBondContact O-NH1 3.45Å; Y900-R923 VanDerWaalsContact O-NH1 3.13Å; Y900-R923 VanDerWaalsContact OH-CD 3.28Å; Y900-R923 WeakPolarHBondContact OH-CD 3.47Å; Y921-R923 VanDerWaalsContact C-N 3.27Å; Y921-R923 PolarHBondContact O-N 3.28Å
924G62Low67.2Low33 Ų3340.7 Ų40.734%0.3420%0.204SC..Hα-helixtrans-85.5-3.3-172.700000115.6S902 Y921 C926S902-G924 PolarHBondContact OG-N 3.09Å; Y921-G924 PolarHBondContact O-N 2.79Å; Y921-G924 VanDerWaalsContact O-N 3.12Å; G924-C926 VanDerWaalsContact C-N 3.25Å; G924-C926 PolarHBondContact O-N 3.09Å; G924-C926 PolarHBondContact O-SG 3.23Å
925Q61.6Low67.3Low155 Ų15541.1 Ų41.172%0.72421%0.205SC*.THydrogen-bonded Turntrans54.540.3-172.2-57.3-178.6-14.700112.4Y921Y921-Q925 PolarHBondContact O-N 2.92Å
926C66.4Low67.3Low33 Ų3345.6 Ų45.622%0.22323%0.226CC..  trans-100.275.1179.8-60.90000111.3Y921 G924 E929 L930Y921-C926 HydrophobicContact CD1-CB 3.84Å; Y921-C926 PolarHBondContact O-N 2.91Å; G924-C926 VanDerWaalsContact C-N 3.25Å; G924-C926 PolarHBondContact O-N 3.09Å; G924-C926 PolarHBondContact O-SG 3.23Å; C926-E929 PolarHBondContact O-N 2.77Å; C926-L930 PolarHBondContact O-N 3.42Å; C926-L930 VanDerWaalsContact O-N 3.17Å
927D65.8Low67.3Low34 Ų3448.7 Ų48.718%0.18224%0.243CC..Hα-helixtrans-76.6-40.5-158-37.5-45.9000113.7E929 L930 I931 Y946 R950 L955D927-E929 VanDerWaalsContact C-N 3.29Å; D927-E929 PolarHBondContact O-N 2.9Å; D927-L930 PolarHBondContact O-N 2.81Å; D927-I931 VanDerWaalsContact O-CG1 3.27Å; D927-I931 WeakPolarHBondContact O-CG1 3.2Å; D927-I931 PolarHBondContact O-N 3.31Å; D927-Y946 PolarHBondContact OD1-OH 3.33Å; D927-R950 VanDerWaalsContact CB-NH1 3.26Å; D927-R950 IonicContact OD1-CZ 2.76Å; D927-R950 IonicContact OD1-NH1 3.29Å; D927-R950 PolarHBondContact OD1-NH1 3.37Å; D927-R950 IonicContact OD1-NH2 2.79Å; D927-R950 PolarHBondContact OD1-NH2 3.14Å; D927-R950 IonicContact OD2-CZ 2.98Å; D927-R950 IonicContact OD2-NH1 3.12Å; D927-R950 PolarHBondContact OD2-NH1 2.72Å; D927-R950 IonicContact OD2-NH2 3.77Å; D927-R950 PolarHBondContact OD2-NH2 3.42Å; D927-L955 HydrophobicContact CB-CD1 4.08Å; D927-L955 HydrophobicContact CB-CD2 4.19Å
928L65.6Low67.5Low106 Ų10652.3 Ų52.356%0.55527%0.268SS*.Hα-helixtrans-71.3-28.2-180-63.8174.3000111.8K932L928-K932 WeakPolarHBondContact O-CD 3.37Å; L928-K932 VanDerWaalsContact O-CG 3.25Å; L928-K932 WeakPolarHBondContact O-CG 3.31Å; L928-K932 PolarHBondContact O-N 2.87Å
929E65.9Low67.8Low56 Ų5654 Ų5426%0.26228%0.277SS..Hα-helixtrans-76.5-43.4176.4-64.1-177.5148.400109.9R907 Y921 C926 D927 I931 K932 V933R907-E929 IonicContact CZ-OE1 2.59Å; R907-E929 IonicContact NH2-OE1 2.87Å; R907-E929 PolarHBondContact NH2-OE1 3.13Å; Y921-E929 HydrophobicContact CD1-CB 4.48Å; Y921-E929 HydrophobicContact CE1-CB 4.15Å; C926-E929 PolarHBondContact O-N 2.77Å; D927-E929 VanDerWaalsContact C-N 3.29Å; D927-E929 PolarHBondContact O-N 2.9Å; E929-I931 PolarHBondContact O-N 2.95Å; E929-K932 PolarHBondContact O-N 2.8Å; E929-V933 VanDerWaalsContact O-CG2 3.24Å; E929-V933 WeakPolarHBondContact O-CG2 3.37Å; E929-V933 PolarHBondContact O-N 3.22Å
930L69.5Low67.8Low1 Ų154.1 Ų54.11%0.00528%0.276CS..Hα-helixtrans-60.1-46.3174.7-169.6156.1000112.4E922 C926 D927 K932 V933 C934 Y946E922-L930 HydrophobicContact CB-CD1 4.41Å; C926-L930 PolarHBondContact O-N 3.42Å; C926-L930 VanDerWaalsContact O-N 3.17Å; D927-L930 PolarHBondContact O-N 2.81Å; L930-K932 VanDerWaalsContact C-N 3.33Å; L930-K932 PolarHBondContact O-N 2.86Å; L930-V933 PolarHBondContact O-N 3.36Å; L930-C934 WeakPolarHBondContact O-CB 3.42Å; L930-C934 PolarHBondContact O-N 2.77Å; L930-C934 PolarHBondContact O-SG 3.38Å; L930-Y946 HydrophobicContact CD1-CD1 3.88Å; L930-Y946 HydrophobicContact CD1-CD2 3.84Å; L930-Y946 HydrophobicContact CD1-CE1 3.9Å; L930-Y946 HydrophobicContact CD1-CE2 3.88Å; L930-Y946 HydrophobicContact CD1-CG 3.83Å; L930-Y946 HydrophobicContact CD2-CD1 3.55Å; L930-Y946 HydrophobicContact CD2-CE1 4.03Å; L930-Y946 HydrophobicContact CD2-CG 3.95Å; L930-Y946 HydrophobicContact CG-CD1 4.32Å; L930-Y946 HydrophobicContact CG-CE1 4.43Å
931I69.6Low68.1Low11 Ų1158.3 Ų58.36%0.05629%0.294CS..Hα-helixtrans-61.7-41.3178.7-69.8168.4000110.9D927 E929 N935 L955 V959D927-I931 VanDerWaalsContact O-CG1 3.27Å; D927-I931 WeakPolarHBondContact O-CG1 3.2Å; D927-I931 PolarHBondContact O-N 3.31Å; E929-I931 PolarHBondContact O-N 2.95Å; I931-N935 VanDerWaalsContact CG2-ND2 3.31Å; I931-N935 WeakPolarHBondContact CG2-ND2 3.5Å; I931-N935 WeakPolarHBondContact O-CB 3.42Å; I931-N935 PolarHBondContact O-N 3.33Å; I931-N935 PolarHBondContact O-ND2 2.81Å; I931-L955 HydrophobicContact CD1-CD2 3.82Å; I931-V959 HydrophobicContact CD1-CG2 3.99Å; I931-V959 HydrophobicContact CG1-CG2 4.44Å; I931-V959 HydrophobicContact CG2-CG2 4.21Å
932K69.6Low67.9Low132 Ų13259 Ų5957%0.57430%0.299SS*.Hα-helixtrans-63.7-46.5177.2-76.2173.8-176.1178.60112.1L928 E929 L930 C934 N935 E936L928-K932 WeakPolarHBondContact O-CD 3.37Å; L928-K932 VanDerWaalsContact O-CG 3.25Å; L928-K932 WeakPolarHBondContact O-CG 3.31Å; L928-K932 PolarHBondContact O-N 2.87Å; E929-K932 PolarHBondContact O-N 2.8Å; L930-K932 VanDerWaalsContact C-N 3.33Å; L930-K932 PolarHBondContact O-N 2.86Å; K932-C934 VanDerWaalsContact C-N 3.33Å; K932-C934 PolarHBondContact O-N 3.14Å; K932-N935 PolarHBondContact O-N 2.66Å; K932-E936 WeakPolarHBondContact O-CB 3.47Å; K932-E936 WeakPolarHBondContact O-CG 3.31Å; K932-E936 PolarHBondContact O-N 2.84Å
933V68.6Low68.1Low4 Ų455.1 Ų55.12%0.02428%0.281CS..Hα-helixtrans-64.2-39.3-178.9174.10000111.7E910 P914 A917 Y921 E929 L930 N937E910-V933 VanDerWaalsContact CD-CG2 3.44Å; E910-V933 HydrophobicContact CG-CB 4.44Å; E910-V933 HydrophobicContact CG-CG1 4.04Å; E910-V933 HydrophobicContact CG-CG2 3.47Å; E910-V933 VanDerWaalsContact CG-CG2 3.47Å; E910-V933 WeakPolarHBondContact OE1-CG2 3.07Å; P914-V933 HydrophobicContact CB-CG1 4.48Å; A917-V933 HydrophobicContact CB-CG1 4.29Å; Y921-V933 HydrophobicContact CE2-CG2 4.18Å; E929-V933 VanDerWaalsContact O-CG2 3.24Å; E929-V933 WeakPolarHBondContact O-CG2 3.37Å; E929-V933 PolarHBondContact O-N 3.22Å; L930-V933 PolarHBondContact O-N 3.36Å; V933-N937 WeakPolarHBondContact O-CB 3.4Å; V933-N937 PolarHBondContact O-N 2.79Å; V933-N937 VanDerWaalsContact O-N 3.14Å; V933-N937 PolarHBondContact O-ND2 3.15Å
934C67.6Low68.2Low0 Ų050.5 Ų50.50%026%0.263CS..Hα-helixtrans-67.3-43.2176.7-72.30000112.6C918 L930 K932 S938 L939 E943C918-C934 PolarHBondContact SG-SG 2.78Å; L930-C934 WeakPolarHBondContact O-CB 3.42Å; L930-C934 PolarHBondContact O-N 2.77Å; L930-C934 PolarHBondContact O-SG 3.38Å; K932-C934 VanDerWaalsContact C-N 3.33Å; K932-C934 PolarHBondContact O-N 3.14Å; C934-S938 PolarHBondContact O-N 2.99Å; C934-L939 PolarHBondContact O-N 2.92Å; C934-E943 HydrophobicContact CB-CB 3.66Å; C934-E943 VanDerWaalsContact CB-CD 3.47Å; C934-E943 HydrophobicContact CB-CG 3.66Å; C934-E943 WeakPolarHBondContact CB-OE2 3.44Å
935N68.4Low68.7Low37 Ų3752.7 Ų52.720%0.19826%0.261CS..Hα-helixtrans-68.4-38.7178.5-78.9-63.9000112.5I931 K932 E943 S966I931-N935 VanDerWaalsContact CG2-ND2 3.31Å; I931-N935 WeakPolarHBondContact CG2-ND2 3.5Å; I931-N935 WeakPolarHBondContact O-CB 3.42Å; I931-N935 PolarHBondContact O-N 3.33Å; I931-N935 PolarHBondContact O-ND2 2.81Å; K932-N935 PolarHBondContact O-N 2.66Å; N935-E943 PolarHBondContact ND2-OE1 2.79Å; N935-S966 PolarHBondContact OD1-OG 3.13Å
936E67.8Low69.3Low153 Ų15346 Ų4672%0.71523%0.23SC*.Hα-helixtrans-69.8-35178.2-73.4178.5-176.700112.7K932K932-E936 WeakPolarHBondContact O-CB 3.47Å; K932-E936 WeakPolarHBondContact O-CG 3.31Å; K932-E936 PolarHBondContact O-N 2.84Å
937N67.9Low69.5Low71 Ų7144.6 Ų44.638%0.3822%0.22SC..THydrogen-bonded Turntrans-102.28.3-176-64.2-63.7000114.4P914 V933 L939P914-N937 HydrophobicContact CB-CB 3.92Å; P914-N937 HydrophobicContact CG-CB 4.05Å; V933-N937 WeakPolarHBondContact O-CB 3.4Å; V933-N937 PolarHBondContact O-N 2.79Å; V933-N937 VanDerWaalsContact O-N 3.14Å; V933-N937 PolarHBondContact O-ND2 3.15Å; N937-L939 HydrophobicContact CB-CG 4.24Å; N937-L939 PolarHBondContact O-N 3.22Å
938S71.8Confident69.9Low76 Ų7643 Ų4353%0.53121%0.211SC..THydrogen-bonded Turntrans56.229.8-177.4-54.60000114.4C934 F940C934-S938 PolarHBondContact O-N 2.99Å; S938-F940 VanDerWaalsContact CA-CE2 3.41Å; S938-F940 WeakPolarHBondContact O-CD2 3.35Å; S938-F940 PolarHBondContact O-N 3.06Å
939L71.5Confident70.1Confident45 Ų4540.9 Ų40.924%0.23621%0.205CC..  trans-84.548.5178.9-71.8-172.6000112.6P914 C934 N937 K941 S942 E943P914-L939 HydrophobicContact CB-CD1 3.31Å; P914-L939 HydrophobicContact CB-CG 4.12Å; P914-L939 WeakPolarHBondContact O-CD1 3.47Å; C934-L939 PolarHBondContact O-N 2.92Å; N937-L939 HydrophobicContact CB-CG 4.24Å; N937-L939 PolarHBondContact O-N 3.22Å; L939-K941 PolarHBondContact O-N 3.05Å; L939-K941 VanDerWaalsContact O-N 3.09Å; L939-S942 PolarHBondContact O-N 2.8Å; L939-S942 PolarHBondContact O-OG 3.22Å; L939-S942 VanDerWaalsContact O-OG 3.09Å; L939-E943 PolarHBondContact O-N 2.73Å; L939-E943 VanDerWaalsContact O-N 3.11Å
940F71.2Confident70.5Confident12 Ų1241.4 Ų41.45%0.05320%0.204CC..Hα-helixtrans-62.7-22.6-174.7-57.4-58.5000113.6S938 E943 A944 S966 Q969 L970 Q973S938-F940 VanDerWaalsContact CA-CE2 3.41Å; S938-F940 WeakPolarHBondContact O-CD2 3.35Å; S938-F940 PolarHBondContact O-N 3.06Å; F940-E943 WeakPolarHBondContact CD1-OE2 3.22Å; F940-A944 WeakPolarHBondContact O-CB 3.49Å; F940-A944 PolarHBondContact O-N 2.79Å; F940-S966 VanDerWaalsContact CE1-CB 3.42Å; F940-Q969 HydrophobicContact CD2-CB 3.88Å; F940-Q969 HydrophobicContact CE2-CB 3.92Å; F940-Q969 HydrophobicContact CG-CB 4.41Å; F940-L970 HydrophobicContact CD1-CB 4.1Å; F940-L970 HydrophobicContact CD1-CD1 4.25Å; F940-Q973 HydrophobicContact CB-CB 4.11Å; F940-Q973 HydrophobicContact CB-CG 3.93Å
941K72.3Confident70.6Confident88 Ų8844.5 Ų44.538%0.38322%0.218SC..Hα-helixtrans-69.4-43.6176.4-179.3176.1173.2157.40112.9L939 R945 T977L939-K941 PolarHBondContact O-N 3.05Å; L939-K941 VanDerWaalsContact O-N 3.09Å; K941-R945 WeakPolarHBondContact O-CG 2.99Å; K941-R945 PolarHBondContact O-N 3.27Å; K941-T977 HydrophobicContact CD-CG2 3.58Å; K941-T977 HydrophobicContact CG-CG2 3.86Å
942S69.1Low70.8Confident13 Ų1346.1 Ų46.19%0.09123%0.227CC..Hα-helixtrans-76.5-34.8175.942.20000111.6L939 A944 R945 Y946L939-S942 PolarHBondContact O-N 2.8Å; L939-S942 PolarHBondContact O-OG 3.22Å; L939-S942 VanDerWaalsContact O-OG 3.09Å; S942-A944 VanDerWaalsContact C-N 3.35Å; S942-R945 PolarHBondContact O-N 3.4Å; S942-Y946 WeakPolarHBondContact O-CB 3.41Å; S942-Y946 PolarHBondContact O-N 3.27Å
943E70.7Confident70.8Confident0 Ų044.2 Ų44.20%023%0.227CC..Hα-helixtrans-58.8-46.9171.9-158.8175.6175.200111.3C934 N935 L939 F940 R945 Y946 L947 L970C934-E943 HydrophobicContact CB-CB 3.66Å; C934-E943 VanDerWaalsContact CB-CD 3.47Å; C934-E943 HydrophobicContact CB-CG 3.66Å; C934-E943 WeakPolarHBondContact CB-OE2 3.44Å; N935-E943 PolarHBondContact ND2-OE1 2.79Å; L939-E943 PolarHBondContact O-N 2.73Å; L939-E943 VanDerWaalsContact O-N 3.11Å; F940-E943 WeakPolarHBondContact CD1-OE2 3.22Å; E943-R945 PolarHBondContact O-N 2.96Å; E943-Y946 PolarHBondContact O-N 2.79Å; E943-L947 HydrophobicContact CG-CD1 4.13Å; E943-L947 WeakPolarHBondContact O-CB 3.39Å; E943-L947 VanDerWaalsContact O-CG 3.3Å; E943-L947 WeakPolarHBondContact O-CG 3.36Å; E943-L947 PolarHBondContact O-N 3.16Å; E943-L970 HydrophobicContact CB-CD1 4Å; E943-L970 HydrophobicContact CG-CD1 3.62Å; E943-L970 WeakPolarHBondContact OE1-CD1 3.44Å; E943-L970 WeakPolarHBondContact OE2-CD1 3.24Å
944A70Confident71Confident0 Ų051.4 Ų51.40%026%0.261CS..Hα-helixtrans-58.1-47.4176.100000112.3F940 S942 Y946 V948 V974 A978F940-A944 WeakPolarHBondContact O-CB 3.49Å; F940-A944 PolarHBondContact O-N 2.79Å; S942-A944 VanDerWaalsContact C-N 3.35Å; A944-Y946 PolarHBondContact O-N 3.41Å; A944-V948 WeakPolarHBondContact O-CB 3.38Å; A944-V948 WeakPolarHBondContact O-CG2 3.43Å; A944-V948 PolarHBondContact O-N 3.36Å; A944-V948 VanDerWaalsContact O-N 3.11Å; A944-V974 HydrophobicContact CB-CB 4.21Å; A944-V974 HydrophobicContact CB-CG2 3.41Å; A944-V974 VanDerWaalsContact CB-CG2 3.41Å; A944-A978 HydrophobicContact CB-CB 3.82Å
945R72.9Confident71.2Confident79 Ų7952.2 Ų52.230%0.29827%0.265SS..Hα-helixtrans-60.7-44.8177.4-73.3176.7179.4165.1-1.5111.8K941 S942 E943 V948 C949 A978 E981K941-R945 WeakPolarHBondContact O-CG 2.99Å; K941-R945 PolarHBondContact O-N 3.27Å; S942-R945 PolarHBondContact O-N 3.4Å; E943-R945 PolarHBondContact O-N 2.96Å; R945-V948 PolarHBondContact O-N 3.48Å; R945-C949 PolarHBondContact O-N 2.91Å; R945-C949 PolarHBondContact O-SG 2.64Å; R945-A978 HydrophobicContact CG-CB 4.06Å; R945-E981 IonicContact CZ-OE1 2.62Å; R945-E981 IonicContact CZ-OE2 2.98Å; R945-E981 IonicContact NE-OE2 3.16Å; R945-E981 PolarHBondContact NE-OE2 2.86Å; R945-E981 IonicContact NH2-OE1 3.4Å; R945-E981 PolarHBondContact NH2-OE1 2.84Å; R945-E981 IonicContact NH2-OE2 3.87Å; R945-E981 PolarHBondContact NH2-OE2 2.83Å
946Y73.3Confident71.5Confident15 Ų1550.6 Ų50.66%0.05926%0.256CS..Hα-helixtrans-65.1-46.1-179.2-179.9-105000112.4E922 D927 L930 S942 E943 A944 V948 C949 R950E922-Y946 HydrophobicContact CB-CD2 3.98Å; E922-Y946 HydrophobicContact CB-CE2 3.86Å; E922-Y946 HydrophobicContact CG-CD2 3.79Å; E922-Y946 HydrophobicContact CG-CE2 3.77Å; D927-Y946 PolarHBondContact OD1-OH 3.33Å; L930-Y946 HydrophobicContact CD1-CD1 3.88Å; L930-Y946 HydrophobicContact CD1-CD2 3.84Å; L930-Y946 HydrophobicContact CD1-CE1 3.9Å; L930-Y946 HydrophobicContact CD1-CE2 3.88Å; L930-Y946 HydrophobicContact CD1-CG 3.83Å; L930-Y946 HydrophobicContact CD2-CD1 3.55Å; L930-Y946 HydrophobicContact CD2-CE1 4.03Å; L930-Y946 HydrophobicContact CD2-CG 3.95Å; L930-Y946 HydrophobicContact CG-CD1 4.32Å; L930-Y946 HydrophobicContact CG-CE1 4.43Å; S942-Y946 WeakPolarHBondContact O-CB 3.41Å; S942-Y946 PolarHBondContact O-N 3.27Å; E943-Y946 PolarHBondContact O-N 2.79Å; A944-Y946 PolarHBondContact O-N 3.41Å; Y946-V948 VanDerWaalsContact C-N 3.28Å; Y946-V948 PolarHBondContact O-N 3.35Å; Y946-C949 PolarHBondContact O-N 3.14Å; Y946-R950 WeakPolarHBondContact O-CB 3.44Å; Y946-R950 PolarHBondContact O-N 3.46Å; Y946-R950 PolarHBondContact OH-NH1 3.09Å
947L71.1Confident71.7Confident3 Ų346.3 Ų46.32%0.01625%0.247CC..Hα-helixtrans-61.7-37178.1-71.2171000112.3E943 L955 W956 V959 L970E943-L947 HydrophobicContact CG-CD1 4.13Å; E943-L947 WeakPolarHBondContact O-CB 3.39Å; E943-L947 VanDerWaalsContact O-CG 3.3Å; E943-L947 WeakPolarHBondContact O-CG 3.36Å; E943-L947 PolarHBondContact O-N 3.16Å; L947-L955 HydrophobicContact CD2-CB 4.35Å; L947-W956 HydrophobicContact CB-CH2 4.16Å; L947-W956 HydrophobicContact CB-CZ2 3.77Å; L947-W956 PolarHBondContact O-NE1 3Å; L947-V959 HydrophobicContact CD1-CB 4.42Å; L947-V959 HydrophobicContact CD1-CG1 4.04Å; L947-V959 HydrophobicContact CD1-CG2 4.21Å; L947-V959 HydrophobicContact CD2-CG2 4.23Å; L947-L970 HydrophobicContact CD1-CD1 4.07Å; L947-L970 HydrophobicContact CD1-CD2 4.22Å
948V73.4Confident71.8Confident1 Ų147.6 Ų47.61%0.00625%0.25CS..Hα-helixtrans-69.3-47.4177.9173.40000111.2A944 R945 Y946 R950 W956 V974 A978 L979 T982 E987A944-V948 WeakPolarHBondContact O-CB 3.38Å; A944-V948 WeakPolarHBondContact O-CG2 3.43Å; A944-V948 PolarHBondContact O-N 3.36Å; A944-V948 VanDerWaalsContact O-N 3.11Å; R945-V948 PolarHBondContact O-N 3.48Å; Y946-V948 VanDerWaalsContact C-N 3.28Å; Y946-V948 PolarHBondContact O-N 3.35Å; V948-R950 VanDerWaalsContact C-N 3.35Å; V948-R950 PolarHBondContact O-N 2.93Å; V948-W956 HydrophobicContact CG2-CH2 4.4Å; V948-W956 HydrophobicContact CG2-CZ2 4Å; V948-V974 HydrophobicContact CG2-CG1 4.5Å; V948-A978 HydrophobicContact CG2-CB 4.23Å; V948-L979 HydrophobicContact CG1-CD2 4.2Å; V948-L979 HydrophobicContact CG2-CD2 4.4Å; V948-T982 HydrophobicContact CG1-CG2 3.89Å; V948-E987 HydrophobicContact CG1-CB 3.69Å; V948-E987 HydrophobicContact CG1-CG 4.4Å
949C70.2Confident71.6Confident61 Ų6144 Ų4441%0.41223%0.226SC..Hα-helixtrans-69.1-29.6180-71.50000113.9R945 Y946 E987R945-C949 PolarHBondContact O-N 2.91Å; R945-C949 PolarHBondContact O-SG 2.64Å; Y946-C949 PolarHBondContact O-N 3.14Å; C949-E987 WeakPolarHBondContact CA-OE1 3.46Å; C949-E987 PolarHBondContact SG-OE1 2.77Å
950R73.7Confident71.5Confident68 Ų6842.4 Ų42.426%0.25722%0.217SC..Hα-helixtrans-83-14.7-172.7-165.5-104-177.871.214.1114.2D927 Y946 V948 D952 L955D927-R950 VanDerWaalsContact CB-NH1 3.26Å; D927-R950 IonicContact OD1-CZ 2.76Å; D927-R950 IonicContact OD1-NH1 3.29Å; D927-R950 PolarHBondContact OD1-NH1 3.37Å; D927-R950 IonicContact OD1-NH2 2.79Å; D927-R950 PolarHBondContact OD1-NH2 3.14Å; D927-R950 IonicContact OD2-CZ 2.98Å; D927-R950 IonicContact OD2-NH1 3.12Å; D927-R950 PolarHBondContact OD2-NH1 2.72Å; D927-R950 IonicContact OD2-NH2 3.77Å; D927-R950 PolarHBondContact OD2-NH2 3.42Å; Y946-R950 WeakPolarHBondContact O-CB 3.44Å; Y946-R950 PolarHBondContact O-N 3.46Å; Y946-R950 PolarHBondContact OH-NH1 3.09Å; V948-R950 VanDerWaalsContact C-N 3.35Å; V948-R950 PolarHBondContact O-N 2.93Å; R950-D952 IonicContact NE-OD2 3.9Å; R950-D952 PolarHBondContact O-N 3.41Å; R950-L955 VanDerWaalsContact CD-CD1 3.46Å
951K72.1Confident71.5Confident65 Ų6546.4 Ų46.428%0.28324%0.236SC..  trans56.819.4168.5-59.3178.3179.4-175.80116D984 E986 E987K951-D984 IonicContact NZ-OD2 3.05Å; K951-D984 PolarHBondContact NZ-OD2 2.75Å; K951-E986 IonicContact NZ-OE2 3.31Å; K951-E986 PolarHBondContact NZ-OE2 2.85Å; K951-E987 HydrophobicContact CG-CG 4.49Å
952D74.2Confident70.9Confident46 Ų4650.8 Ų50.825%0.24626%0.258CS..  trans-96.2116.4-173.3-172.2-11.8000112.8R950 E954 L955 W956R950-D952 IonicContact NE-OD2 3.9Å; R950-D952 PolarHBondContact O-N 3.41Å; D952-E954 VanDerWaalsContact C-N 3.33Å; D952-E954 PolarHBondContact O-N 3.01Å; D952-E954 PolarHBondContact OD1-N 2.95Å; D952-L955 HydrophobicContact CB-CB 4.46Å; D952-L955 HydrophobicContact CB-CD1 4.06Å; D952-L955 HydrophobicContact CB-CG 4.41Å; D952-W956 VanDerWaalsContact O-CD1 3.25Å; D952-W956 PolarHBondContact O-N 3.26Å
953P69.6Low70.3Confident91 Ų9155.6 Ų55.659%0.59129%0.287SS*.Hα-helixtrans-67.6-26.2-177.527.7-35.1000114.2A957P953-A957 PolarHBondContact O-N 3.24Å
954E72.6Confident70Confident156 Ų15657.5 Ų57.573%0.72930%0.297SS*.Hα-helixtrans-72.9-37.5-178.9-65.8-171.7172.700111.4D952 A957 H958D952-E954 VanDerWaalsContact C-N 3.33Å; D952-E954 PolarHBondContact O-N 3.01Å; D952-E954 PolarHBondContact OD1-N 2.95Å; E954-A957 PolarHBondContact O-N 3.28Å; E954-H958 PolarHBondContact O-N 2.83Å; E954-H958 VanDerWaalsContact O-N 3.1Å
955L71.6Confident69.8Low17 Ų1763.7 Ų63.79%0.08934%0.337CS..Hα-helixtrans-69.2-39.6174.6-68.9172.2000111.9D927 I931 L947 R950 D952 A957 H958 V959D927-L955 HydrophobicContact CB-CD1 4.08Å; D927-L955 HydrophobicContact CB-CD2 4.19Å; I931-L955 HydrophobicContact CD1-CD2 3.82Å; L947-L955 HydrophobicContact CD2-CB 4.35Å; R950-L955 VanDerWaalsContact CD-CD1 3.46Å; D952-L955 HydrophobicContact CB-CB 4.46Å; D952-L955 HydrophobicContact CB-CD1 4.06Å; D952-L955 HydrophobicContact CB-CG 4.41Å; L955-A957 VanDerWaalsContact C-N 3.32Å; L955-A957 PolarHBondContact O-N 2.72Å; L955-H958 PolarHBondContact O-N 2.86Å; L955-V959 WeakPolarHBondContact O-CG2 3.3Å; L955-V959 PolarHBondContact O-N 3.2Å
956W75.7Confident69.3Low3 Ų360.5 Ų60.51%0.01133%0.327CS..Hα-helixtrans-60-41.7172.7-85.7108000112.1L947 V948 D952 H958 L960 V974 T991 A994 F995L947-W956 HydrophobicContact CB-CH2 4.16Å; L947-W956 HydrophobicContact CB-CZ2 3.77Å; L947-W956 PolarHBondContact O-NE1 3Å; V948-W956 HydrophobicContact CG2-CH2 4.4Å; V948-W956 HydrophobicContact CG2-CZ2 4Å; D952-W956 VanDerWaalsContact O-CD1 3.25Å; D952-W956 PolarHBondContact O-N 3.26Å; W956-H958 PolarHBondContact O-N 3.3Å; W956-L960 HydrophobicContact CE3-CD1 3.74Å; W956-L960 HydrophobicContact CE3-CG 4.06Å; W956-L960 HydrophobicContact CZ3-CD1 4.39Å; W956-L960 VanDerWaalsContact O-CB 3.23Å; W956-L960 WeakPolarHBondContact O-CB 3.21Å; W956-L960 WeakPolarHBondContact O-CG 3.33Å; W956-L960 PolarHBondContact O-N 2.82Å; W956-V974 HydrophobicContact CH2-CG1 4.28Å; W956-V974 HydrophobicContact CH2-CG2 4.11Å; W956-T991 HydrophobicContact CH2-CG2 3.85Å; W956-T991 HydrophobicContact CZ2-CG2 3.94Å; W956-A994 HydrophobicContact CB-CB 3.76Å; W956-A994 HydrophobicContact CD2-CB 3.82Å; W956-A994 HydrophobicContact CE3-CB 4.09Å; W956-A994 HydrophobicContact CG-CB 3.7Å; W956-F995 HydrophobicContact CE3-CE2 4.49Å; W956-F995 HydrophobicContact CH2-CE2 4.08Å; W956-F995 HydrophobicContact CZ3-CD2 4.42Å; W956-F995 AromaticContact CZ3-CE2 3.7Å; W956-F995 HydrophobicContact CZ3-CE2 3.7Å
957A70.3Confident69.3Low62 Ų6261.6 Ų61.651%0.51233%0.331SS..Hα-helixtrans-63.1-41.4176.700000112P953 E954 L955 E961P953-A957 PolarHBondContact O-N 3.24Å; E954-A957 PolarHBondContact O-N 3.28Å; L955-A957 VanDerWaalsContact C-N 3.32Å; L955-A957 PolarHBondContact O-N 2.72Å; A957-E961 PolarHBondContact O-N 3.32Å
958H70.7Confident69.2Low98 Ų9870 Ų7045%0.45436%0.362SS..Hα-helixtrans-67.6-41.6179.3-170.853.1000112.9E954 L955 W956E954-H958 PolarHBondContact O-N 2.83Å; E954-H958 VanDerWaalsContact O-N 3.1Å; L955-H958 PolarHBondContact O-N 2.86Å; W956-H958 PolarHBondContact O-N 3.3Å
959V68.4Low69.2Low2 Ų275 Ų751%0.01239%0.386CS..Hα-helixtrans-73.5-32.4-179.3176.10000111.9I931 L947 L955 N964 L970I931-V959 HydrophobicContact CD1-CG2 3.99Å; I931-V959 HydrophobicContact CG1-CG2 4.44Å; I931-V959 HydrophobicContact CG2-CG2 4.21Å; L947-V959 HydrophobicContact CD1-CB 4.42Å; L947-V959 HydrophobicContact CD1-CG1 4.04Å; L947-V959 HydrophobicContact CD1-CG2 4.21Å; L947-V959 HydrophobicContact CD2-CG2 4.23Å; L955-V959 WeakPolarHBondContact O-CG2 3.3Å; L955-V959 PolarHBondContact O-N 3.2Å; V959-N964 PolarHBondContact O-ND2 3.22Å; V959-L970 HydrophobicContact CG1-CD1 3.89Å; V959-L970 HydrophobicContact CG1-CD2 3.66Å; V959-L970 HydrophobicContact CG1-CG 4.38Å
960L68.5Low69.3Low10 Ų1072.2 Ų72.25%0.05237%0.367CS..THydrogen-bonded Turntrans-87.15.4-178.3-64.7173.6000114.5W956 R967 I971 A994 F995 A998W956-L960 HydrophobicContact CE3-CD1 3.74Å; W956-L960 HydrophobicContact CE3-CG 4.06Å; W956-L960 HydrophobicContact CZ3-CD1 4.39Å; W956-L960 VanDerWaalsContact O-CB 3.23Å; W956-L960 WeakPolarHBondContact O-CB 3.21Å; W956-L960 WeakPolarHBondContact O-CG 3.33Å; W956-L960 PolarHBondContact O-N 2.82Å; L960-R967 WeakPolarHBondContact O-CD 3.36Å; L960-R967 VanDerWaalsContact O-CZ 3.28Å; L960-R967 PolarHBondContact O-NE 3.21Å; L960-R967 PolarHBondContact O-NH1 2.94Å; L960-I971 HydrophobicContact CD2-CD1 4.29Å; L960-I971 HydrophobicContact CD2-CG1 4.17Å; L960-A994 HydrophobicContact CD1-CB 4.11Å; L960-F995 HydrophobicContact CD1-CD2 4.48Å; L960-A998 HydrophobicContact CB-CB 4.07Å; L960-A998 HydrophobicContact CD1-CB 3.92Å
961E71.4Confident69.2Low97 Ų9769 Ų6945%0.45336%0.355SS..  trans-57.6142.1174.5-85-179.5-170.800112.4A957 T963 N964A957-E961 PolarHBondContact O-N 3.32Å; E961-T963 PolarHBondContact O-N 3.32Å; E961-T963 PolarHBondContact OE2-OG1 3.16Å; E961-N964 PolarHBondContact O-N 3.21Å
962E59Low69.2Low180 Ų18069.1 Ų69.184%0.84136%0.358SS*.THydrogen-bonded Turntrans-63-19.8178.8-73.8-178.1170.600113.8N964E962-N964 VanDerWaalsContact C-N 3.29Å; E962-N964 PolarHBondContact O-N 3.45Å
963T57.1Low69.2Low114 Ų11469.6 Ų69.670%0.69936%0.359SS*.THydrogen-bonded Turntrans-76-13.6178.844.10000113.4E961 P965E961-T963 PolarHBondContact O-N 3.32Å; E961-T963 PolarHBondContact OE2-OG1 3.16Å; T963-P965 WeakPolarHBondContact O-CD 3.34Å
964N64.9Low69.3Low40 Ų4065.2 Ų65.221%0.21433%0.331CS..  trans-87.4114.2-174.6-163.90.4000111.8V959 E961 E962 S966 R967V959-N964 PolarHBondContact O-ND2 3.22Å; E961-N964 PolarHBondContact O-N 3.21Å; E962-N964 VanDerWaalsContact C-N 3.29Å; E962-N964 PolarHBondContact O-N 3.45Å; N964-S966 PolarHBondContact O-N 2.83Å; N964-S966 PolarHBondContact OD1-OG 2.81Å; N964-R967 WeakPolarHBondContact O-CB 3.5Å; N964-R967 PolarHBondContact O-N 3.03Å
965P64.3Low69.1Low129 Ų12958.4 Ų58.484%0.83830%0.3SS*.THydrogen-bonded Turntrans-66.5-19.8-176.624.3-33.3000114.5T963T963-P965 WeakPolarHBondContact O-CD 3.34Å
966S63.8Low69Low13 Ų1362.9 Ų62.99%0.09132%0.32CS..THydrogen-bonded Turntrans-90.8-3.8179.652.80000114.5N935 F940 N964 R968 Q969 L970N935-S966 PolarHBondContact OD1-OG 3.13Å; F940-S966 VanDerWaalsContact CE1-CB 3.42Å; N964-S966 PolarHBondContact O-N 2.83Å; N964-S966 PolarHBondContact OD1-OG 2.81Å; S966-R968 VanDerWaalsContact C-N 3.32Å; S966-R968 PolarHBondContact O-N 2.63Å; S966-R968 VanDerWaalsContact O-N 3.17Å; S966-Q969 PolarHBondContact O-N 3.19Å; S966-Q969 VanDerWaalsContact O-N 3.1Å; S966-L970 PolarHBondContact O-N 2.9Å; S966-L970 VanDerWaalsContact O-N 3.09Å
967R71.7Confident68.5Low37 Ų3763.6 Ų63.614%0.1433%0.325CS..Hα-helixtrans-48.5-47.6-174173.9175.2165.1179.4-4.6113.6L960 N964 L970 I971 A998 L1000L960-R967 WeakPolarHBondContact O-CD 3.36Å; L960-R967 VanDerWaalsContact O-CZ 3.28Å; L960-R967 PolarHBondContact O-NE 3.21Å; L960-R967 PolarHBondContact O-NH1 2.94Å; N964-R967 WeakPolarHBondContact O-CB 3.5Å; N964-R967 PolarHBondContact O-N 3.03Å; R967-L970 PolarHBondContact O-N 3.27Å; R967-I971 HydrophobicContact CG-CD1 3.68Å; R967-I971 WeakPolarHBondContact O-CD1 3.37Å; R967-I971 VanDerWaalsContact O-CG1 3.25Å; R967-I971 WeakPolarHBondContact O-CG1 3.36Å; R967-I971 PolarHBondContact O-N 3.15Å; R967-A998 PolarHBondContact NH2-O 3.15Å; R967-L1000 VanDerWaalsContact NH2-CD2 3.33Å
968R70.4Confident68Low179 Ų17960.7 Ų60.768%0.67530%0.301SS*.Hα-helixtrans-68.7-38.2-176.4-164.6169.1-175164.32.8113S966 I971 D972S966-R968 VanDerWaalsContact C-N 3.32Å; S966-R968 PolarHBondContact O-N 2.63Å; S966-R968 VanDerWaalsContact O-N 3.17Å; R968-I971 PolarHBondContact O-N 3.31Å; R968-D972 VanDerWaalsContact O-CG 3.24Å; R968-D972 PolarHBondContact O-N 3.21Å
969Q73.1Confident67.5Low108 Ų10856.2 Ų56.251%0.50528%0.28SS..Hα-helixtrans-70.8-34.7179-66.3177-9.900111.7F940 S966 Q973F940-Q969 HydrophobicContact CD2-CB 3.88Å; F940-Q969 HydrophobicContact CE2-CB 3.92Å; F940-Q969 HydrophobicContact CG-CB 4.41Å; S966-Q969 PolarHBondContact O-N 3.19Å; S966-Q969 VanDerWaalsContact O-N 3.1Å; Q969-Q973 WeakPolarHBondContact O-CG 3.34Å; Q969-Q973 PolarHBondContact O-N 2.98Å
970L71.6Confident67.1Low1 Ų159.3 Ų59.31%0.00530%0.302CS..Hα-helixtrans-66.7-45.7172.1-175.6129.2000111.8F940 E943 L947 V959 S966 R967 D972 Q973 V974F940-L970 HydrophobicContact CD1-CB 4.1Å; F940-L970 HydrophobicContact CD1-CD1 4.25Å; E943-L970 HydrophobicContact CB-CD1 4Å; E943-L970 HydrophobicContact CG-CD1 3.62Å; E943-L970 WeakPolarHBondContact OE1-CD1 3.44Å; E943-L970 WeakPolarHBondContact OE2-CD1 3.24Å; L947-L970 HydrophobicContact CD1-CD1 4.07Å; L947-L970 HydrophobicContact CD1-CD2 4.22Å; V959-L970 HydrophobicContact CG1-CD1 3.89Å; V959-L970 HydrophobicContact CG1-CD2 3.66Å; V959-L970 HydrophobicContact CG1-CG 4.38Å; S966-L970 PolarHBondContact O-N 2.9Å; S966-L970 VanDerWaalsContact O-N 3.09Å; R967-L970 PolarHBondContact O-N 3.27Å; L970-D972 PolarHBondContact O-N 2.85Å; L970-Q973 PolarHBondContact O-N 3.31Å; L970-V974 HydrophobicContact CD2-CG2 4.17Å; L970-V974 HydrophobicContact CG-CG2 4.44Å; L970-V974 VanDerWaalsContact O-CG2 3.27Å; L970-V974 WeakPolarHBondContact O-CG2 3.31Å; L970-V974 PolarHBondContact O-N 3Å
971I71.7Confident66.7Low2 Ų263.7 Ų63.71%0.0132%0.322CS..Hα-helixtrans-57.3-48.9175.2-72159.9000111.2L960 R967 R968 Q973 V974 V975 F995 L1000 E1003L960-I971 HydrophobicContact CD2-CD1 4.29Å; L960-I971 HydrophobicContact CD2-CG1 4.17Å; R967-I971 HydrophobicContact CG-CD1 3.68Å; R967-I971 WeakPolarHBondContact O-CD1 3.37Å; R967-I971 VanDerWaalsContact O-CG1 3.25Å; R967-I971 WeakPolarHBondContact O-CG1 3.36Å; R967-I971 PolarHBondContact O-N 3.15Å; R968-I971 PolarHBondContact O-N 3.31Å; I971-Q973 VanDerWaalsContact C-N 3.27Å; I971-Q973 PolarHBondContact O-N 3.24Å; I971-V974 PolarHBondContact O-N 2.75Å; I971-V975 HydrophobicContact CG2-CG2 4.47Å; I971-V975 VanDerWaalsContact O-CG2 3.3Å; I971-V975 WeakPolarHBondContact O-CG2 3.35Å; I971-V975 PolarHBondContact O-N 3.46Å; I971-F995 HydrophobicContact CB-CE1 4.39Å; I971-F995 HydrophobicContact CB-CZ 4.43Å; I971-F995 HydrophobicContact CG1-CE1 4.11Å; I971-F995 HydrophobicContact CG1-CZ 4.03Å; I971-F995 HydrophobicContact CG2-CE1 3.72Å; I971-F995 HydrophobicContact CG2-CZ 4.18Å; I971-L1000 HydrophobicContact CD1-CD1 3.52Å; I971-L1000 HydrophobicContact CG1-CD1 4.45Å; I971-E1003 HydrophobicContact CG2-CB 4.08Å; I971-E1003 HydrophobicContact CG2-CG 4.1Å
972D73.4Confident66.2Low66 Ų6659.9 Ų59.935%0.35331%0.305SS..Hα-helixtrans-58.5-38.6179.1-70-21.9000112R968 L970 Q976R968-D972 VanDerWaalsContact O-CG 3.24Å; R968-D972 PolarHBondContact O-N 3.21Å; L970-D972 PolarHBondContact O-N 2.85Å; D972-Q976 WeakPolarHBondContact O-CB 3.4Å; D972-Q976 VanDerWaalsContact O-CG 3.27Å; D972-Q976 WeakPolarHBondContact O-CG 3.21Å; D972-Q976 PolarHBondContact O-N 2.95Å
973Q73.6Confident66.3Low56 Ų5661.4 Ų61.426%0.26230%0.304SS..Hα-helixtrans-77.4-31.5178.5-70-60.2-40.800113.8F940 Q969 L970 I971 V975 T977 A978F940-Q973 HydrophobicContact CB-CB 4.11Å; F940-Q973 HydrophobicContact CB-CG 3.93Å; Q969-Q973 WeakPolarHBondContact O-CG 3.34Å; Q969-Q973 PolarHBondContact O-N 2.98Å; L970-Q973 PolarHBondContact O-N 3.31Å; I971-Q973 VanDerWaalsContact C-N 3.27Å; I971-Q973 PolarHBondContact O-N 3.24Å; Q973-V975 VanDerWaalsContact C-N 3.35Å; Q973-T977 WeakPolarHBondContact O-CB 3.42Å; Q973-T977 PolarHBondContact O-N 2.84Å; Q973-T977 PolarHBondContact O-OG1 2.92Å; Q973-T977 PolarHBondContact OE1-OG1 2.74Å; Q973-A978 PolarHBondContact O-N 3.46Å
974V72.1Confident66.6Low0 Ų058.8 Ų58.80%029%0.285CS..Iπ-helixtrans-61-46.7169.81710000109.8A944 V948 W956 L970 I971 L979 T991 F995A944-V974 HydrophobicContact CB-CB 4.21Å; A944-V974 HydrophobicContact CB-CG2 3.41Å; A944-V974 VanDerWaalsContact CB-CG2 3.41Å; V948-V974 HydrophobicContact CG2-CG1 4.5Å; W956-V974 HydrophobicContact CH2-CG1 4.28Å; W956-V974 HydrophobicContact CH2-CG2 4.11Å; L970-V974 HydrophobicContact CD2-CG2 4.17Å; L970-V974 HydrophobicContact CG-CG2 4.44Å; L970-V974 VanDerWaalsContact O-CG2 3.27Å; L970-V974 WeakPolarHBondContact O-CG2 3.31Å; L970-V974 PolarHBondContact O-N 3Å; I971-V974 PolarHBondContact O-N 2.75Å; V974-L979 HydrophobicContact CG1-CD1 3.87Å; V974-L979 HydrophobicContact CG1-CG 4.42Å; V974-L979 WeakPolarHBondContact O-CD1 3.43Å; V974-T991 HydrophobicContact CG1-CG2 3.89Å; V974-F995 HydrophobicContact CB-CZ 4.37Å; V974-F995 HydrophobicContact CG1-CE2 4.26Å; V974-F995 HydrophobicContact CG1-CZ 4.04Å
975V67.9Low66.5Low12 Ų1259 Ų597%0.07329%0.289CS..Iπ-helixtrans-67.6-42.4-179.9175.50000112.3I971 Q973 L1007 K1010I971-V975 HydrophobicContact CG2-CG2 4.47Å; I971-V975 VanDerWaalsContact O-CG2 3.3Å; I971-V975 WeakPolarHBondContact O-CG2 3.35Å; I971-V975 PolarHBondContact O-N 3.46Å; Q973-V975 VanDerWaalsContact C-N 3.35Å; V975-L1007 HydrophobicContact CG1-CB 4.4Å; V975-L1007 HydrophobicContact CG2-CB 4.06Å; V975-L1007 HydrophobicContact CG2-CD1 4Å; V975-L1007 HydrophobicContact CG2-CG 4.41Å; V975-K1010 HydrophobicContact CG1-CD 4.43Å
976Q68.3Low66.6Low111 Ų11158.3 Ų58.352%0.51927%0.274SS..Iπ-helixtrans-82.6-31.5-174.5-71.4-179.310.500114D972 S980D972-Q976 WeakPolarHBondContact O-CB 3.4Å; D972-Q976 VanDerWaalsContact O-CG 3.27Å; D972-Q976 WeakPolarHBondContact O-CG 3.21Å; D972-Q976 PolarHBondContact O-N 2.95Å; Q976-S980 PolarHBondContact O-OG 2.89Å
977T66.4Low66.9Low19 Ų1958.8 Ų58.812%0.11728%0.275CS..Iπ-helixtrans-132.1-38.7-156.4-24.60000115.8K941 Q973 S980K941-T977 HydrophobicContact CD-CG2 3.58Å; K941-T977 HydrophobicContact CG-CG2 3.86Å; Q973-T977 WeakPolarHBondContact O-CB 3.42Å; Q973-T977 PolarHBondContact O-N 2.84Å; Q973-T977 PolarHBondContact O-OG1 2.92Å; Q973-T977 PolarHBondContact OE1-OG1 2.74Å; T977-S980 PolarHBondContact O-OG 2.86Å
978A59.6Low66.8Low1 Ų157 Ų571%0.00827%0.269CS..Iπ-helixtrans-76.7-40.2-179.800000111.8A944 R945 V948 Q973 E981 T982A944-A978 HydrophobicContact CB-CB 3.82Å; R945-A978 HydrophobicContact CG-CB 4.06Å; V948-A978 HydrophobicContact CG2-CB 4.23Å; Q973-A978 PolarHBondContact O-N 3.46Å; A978-E981 PolarHBondContact O-N 3.21Å; A978-T982 WeakPolarHBondContact O-CG2 3.29Å; A978-T982 PolarHBondContact O-N 2.93Å
979L60.6Low66.7Low3 Ų350.4 Ų50.42%0.01625%0.249CC..THydrogen-bonded Turntrans-83.8-17.1-171.4-65.1164.5000114.4V948 V974 E981 T982 I988 T991 L1007 I1011V948-L979 HydrophobicContact CG1-CD2 4.2Å; V948-L979 HydrophobicContact CG2-CD2 4.4Å; V974-L979 HydrophobicContact CG1-CD1 3.87Å; V974-L979 HydrophobicContact CG1-CG 4.42Å; V974-L979 WeakPolarHBondContact O-CD1 3.43Å; L979-E981 VanDerWaalsContact C-N 3.28Å; L979-T982 WeakPolarHBondContact CA-OG1 3.38Å; L979-T982 PolarHBondContact O-OG1 2.8Å; L979-I988 HydrophobicContact CD2-CG1 4.06Å; L979-T991 HydrophobicContact CD1-CG2 4.39Å; L979-L1007 HydrophobicContact CD1-CD1 3.34Å; L979-L1007 HydrophobicContact CD1-CD2 4.07Å; L979-L1007 HydrophobicContact CD1-CG 3.62Å; L979-I1011 HydrophobicContact CB-CD1 3.98Å; L979-I1011 HydrophobicContact CB-CG1 4.41Å; L979-I1011 HydrophobicContact CD1-CD1 4.11Å; L979-I1011 HydrophobicContact CG-CD1 4.44Å
980S60.3Low66.8Low67 Ų6746.9 Ų46.947%0.46924%0.235SC..THydrogen-bonded Turntrans-74-20.8173.249.40000112.8Q976 T977Q976-S980 PolarHBondContact O-OG 2.89Å; T977-S980 PolarHBondContact O-OG 2.86Å
981E59.5Low66.9Low103 Ų10346.9 Ų46.948%0.48124%0.235SC..THydrogen-bonded Turntrans-98.9-25.6-178-67.5175173.400113.2R945 A978 L979R945-E981 IonicContact CZ-OE1 2.62Å; R945-E981 IonicContact CZ-OE2 2.98Å; R945-E981 IonicContact NE-OE2 3.16Å; R945-E981 PolarHBondContact NE-OE2 2.86Å; R945-E981 IonicContact NH2-OE1 3.4Å; R945-E981 PolarHBondContact NH2-OE1 2.84Å; R945-E981 IonicContact NH2-OE2 3.87Å; R945-E981 PolarHBondContact NH2-OE2 2.83Å; A978-E981 PolarHBondContact O-N 3.21Å; L979-E981 VanDerWaalsContact C-N 3.28Å
982T60.7Low66.9Low16 Ų1646.9 Ų46.910%0.09824%0.235CC..  trans-73.4129.5-179.8490000111.7V948 A978 L979 E987 F1018V948-T982 HydrophobicContact CG1-CG2 3.89Å; A978-T982 WeakPolarHBondContact O-CG2 3.29Å; A978-T982 PolarHBondContact O-N 2.93Å; L979-T982 WeakPolarHBondContact CA-OG1 3.38Å; L979-T982 PolarHBondContact O-OG1 2.8Å; T982-E987 WeakPolarHBondContact CB-OE2 3.19Å; T982-E987 WeakPolarHBondContact CG2-OE2 3.28Å; T982-F1018 WeakPolarHBondContact O-CE2 3.25Å; T982-F1018 WeakPolarHBondContact O-CZ 3.41Å
983R60.7Low66.8Low213 Ų21350.2 Ų50.280%0.80425%0.247SC*.  trans-102.6-0.5175.9-63.9-176.6-177.9-179.50.5113.2F1018R983-F1018 VanDerWaalsContact C-CZ 3.41Å; R983-F1018 WeakPolarHBondContact O-CZ 3.25Å
984D63.3Low66.8Low59 Ų5948.1 Ų48.132%0.31624%0.239SC..  trans-97.5118.2-174.7-163.212000111.7K951 E986 E987K951-D984 IonicContact NZ-OD2 3.05Å; K951-D984 PolarHBondContact NZ-OD2 2.75Å; D984-E986 PolarHBondContact O-N 2.94Å; D984-E987 HydrophobicContact CB-CG 4.04Å; D984-E987 PolarHBondContact O-N 3Å
985P64.2Low66.9Low44 Ų4448.2 Ų48.229%0.28624%0.24SC..Hα-helixtrans-61.4-27.6-178.6-22.831.8000114.4S989 F1018P985-S989 PolarHBondContact O-N 2.88Å; P985-S989 VanDerWaalsContact O-N 3.14Å; P985-F1018 HydrophobicContact CB-CE1 4.38Å; P985-F1018 HydrophobicContact CG-CE1 4.02Å
986E65.8Low67Low115 Ų11552.4 Ų52.454%0.53726%0.26SS..Hα-helixtrans-69.6-40.9-177.9-70.1-169161.600112.6K951 D984 I988 S989 V990K951-E986 IonicContact NZ-OE2 3.31Å; K951-E986 PolarHBondContact NZ-OE2 2.85Å; D984-E986 PolarHBondContact O-N 2.94Å; E986-I988 VanDerWaalsContact C-N 3.29Å; E986-I988 PolarHBondContact O-N 3.32Å; E986-S989 PolarHBondContact O-N 2.77Å; E986-S989 VanDerWaalsContact O-N 3.09Å; E986-S989 PolarHBondContact O-OG 2.74Å; E986-V990 WeakPolarHBondContact O-CG2 3.36Å; E986-V990 PolarHBondContact O-N 3.08Å
987E70.8Confident67.1Low23 Ų2353.1 Ų53.111%0.10727%0.272CS..Hα-helixtrans-59.2-42.4178.4-67.9-178.7158.600111.2V948 C949 K951 T982 D984 T991V948-E987 HydrophobicContact CG1-CB 3.69Å; V948-E987 HydrophobicContact CG1-CG 4.4Å; C949-E987 WeakPolarHBondContact CA-OE1 3.46Å; C949-E987 PolarHBondContact SG-OE1 2.77Å; K951-E987 HydrophobicContact CG-CG 4.49Å; T982-E987 WeakPolarHBondContact CB-OE2 3.19Å; T982-E987 WeakPolarHBondContact CG2-OE2 3.28Å; D984-E987 HydrophobicContact CB-CG 4.04Å; D984-E987 PolarHBondContact O-N 3Å; E987-T991 WeakPolarHBondContact O-CB 3.44Å; E987-T991 PolarHBondContact O-N 3.46Å; E987-T991 VanDerWaalsContact O-N 3.13Å; E987-T991 PolarHBondContact O-OG1 2.76Å
988I69.3Low67.2Low0 Ų053.5 Ų53.50%028%0.277CS..Hα-helixtrans-64.4-43.3175.1-57.1173.7000110.1L979 E986 V990 T991 V992 I1011 F1018 L1024L979-I988 HydrophobicContact CD2-CG1 4.06Å; E986-I988 VanDerWaalsContact C-N 3.29Å; E986-I988 PolarHBondContact O-N 3.32Å; I988-V990 PolarHBondContact O-N 3.34Å; I988-T991 PolarHBondContact O-N 3.35Å; I988-V992 HydrophobicContact CG2-CG2 4.26Å; I988-V992 WeakPolarHBondContact O-CB 3.43Å; I988-V992 WeakPolarHBondContact O-CG2 3.49Å; I988-V992 PolarHBondContact O-N 2.9Å; I988-I1011 HydrophobicContact CD1-CD1 4.45Å; I988-I1011 HydrophobicContact CD1-CG2 4.13Å; I988-I1011 HydrophobicContact CG2-CD1 3.79Å; I988-F1018 HydrophobicContact CD1-CD1 3.85Å; I988-F1018 HydrophobicContact CD1-CD2 4.11Å; I988-F1018 HydrophobicContact CD1-CE1 3.55Å; I988-F1018 HydrophobicContact CD1-CE2 3.83Å; I988-F1018 HydrophobicContact CD1-CG 4.09Å; I988-F1018 HydrophobicContact CD1-CZ 3.5Å; I988-L1024 HydrophobicContact CG2-CD1 4.27Å; I988-L1024 HydrophobicContact CG2-CD2 3.85Å
989S68.8Low67.6Low39 Ų3960 Ų6027%0.27331%0.311SS..Hα-helixtrans-65.8-39.1-177.781.60000113.5P985 E986 K993P985-S989 PolarHBondContact O-N 2.88Å; P985-S989 VanDerWaalsContact O-N 3.14Å; E986-S989 PolarHBondContact O-N 2.77Å; E986-S989 VanDerWaalsContact O-N 3.09Å; E986-S989 PolarHBondContact O-OG 2.74Å; S989-K993 VanDerWaalsContact O-CG 3.3Å; S989-K993 WeakPolarHBondContact O-CG 3.49Å; S989-K993 PolarHBondContact O-N 3.35Å
990V73.9Confident68.1Low34 Ų3461 Ų6121%0.20632%0.317CS..Hα-helixtrans-69.6-41.2177.6174.90000109.9E986 I988 K993 A994E986-V990 WeakPolarHBondContact O-CG2 3.36Å; E986-V990 PolarHBondContact O-N 3.08Å; I988-V990 PolarHBondContact O-N 3.34Å; V990-K993 PolarHBondContact O-N 2.88Å; V990-A994 WeakPolarHBondContact O-CB 3.16Å; V990-A994 PolarHBondContact O-N 2.78Å
991T73.4Confident68.5Low1 Ų160.4 Ų60.41%0.00631%0.312CS..Hα-helixtrans-61.2-47175.6-53.20000111.3W956 V974 L979 E987 I988 K993 A994 F995W956-T991 HydrophobicContact CH2-CG2 3.85Å; W956-T991 HydrophobicContact CZ2-CG2 3.94Å; V974-T991 HydrophobicContact CG1-CG2 3.89Å; L979-T991 HydrophobicContact CD1-CG2 4.39Å; E987-T991 WeakPolarHBondContact O-CB 3.44Å; E987-T991 PolarHBondContact O-N 3.46Å; E987-T991 VanDerWaalsContact O-N 3.13Å; E987-T991 PolarHBondContact O-OG1 2.76Å; I988-T991 PolarHBondContact O-N 3.35Å; T991-K993 VanDerWaalsContact C-N 3.35Å; T991-K993 PolarHBondContact O-N 3.45Å; T991-A994 WeakPolarHBondContact O-CB 3.14Å; T991-A994 PolarHBondContact O-N 2.81Å; T991-F995 HydrophobicContact CG2-CD2 4.07Å; T991-F995 HydrophobicContact CG2-CE2 3.82Å; T991-F995 WeakPolarHBondContact O-CD2 3.33Å; T991-F995 PolarHBondContact O-N 2.83Å
992V71.3Confident69Low2 Ų260.7 Ų60.71%0.01232%0.316CS..Hα-helixtrans-61.9-41.7177.1173.80000111.2I988 A994 F995 M996 L1004 L1007 L1008 L1027I988-V992 HydrophobicContact CG2-CG2 4.26Å; I988-V992 WeakPolarHBondContact O-CB 3.43Å; I988-V992 WeakPolarHBondContact O-CG2 3.49Å; I988-V992 PolarHBondContact O-N 2.9Å; V992-A994 PolarHBondContact O-N 3.17Å; V992-F995 PolarHBondContact O-N 3.18Å; V992-M996 HydrophobicContact CG1-CG 4.47Å; V992-M996 HydrophobicContact CG1-SD 4.46Å; V992-M996 WeakPolarHBondContact O-CG 3.38Å; V992-M996 PolarHBondContact O-N 2.88Å; V992-L1004 HydrophobicContact CG1-CD1 3.99Å; V992-L1004 HydrophobicContact CG1-CD2 4.47Å; V992-L1004 HydrophobicContact CG1-CG 4.4Å; V992-L1007 HydrophobicContact CG2-CD2 3.98Å; V992-L1008 HydrophobicContact CG2-CD2 4.04Å; V992-L1027 HydrophobicContact CG1-CD1 4.26Å
993K72.1Confident69.5Low136 Ų13661.8 Ų61.859%0.59132%0.32SS*.Hα-helixtrans-63-40.7175.5-76.2173.3-177.2173.30112.5S989 V990 T991 M996 T997S989-K993 VanDerWaalsContact O-CG 3.3Å; S989-K993 WeakPolarHBondContact O-CG 3.49Å; S989-K993 PolarHBondContact O-N 3.35Å; V990-K993 PolarHBondContact O-N 2.88Å; T991-K993 VanDerWaalsContact C-N 3.35Å; T991-K993 PolarHBondContact O-N 3.45Å; K993-M996 PolarHBondContact O-N 2.88Å; K993-T997 WeakPolarHBondContact O-CB 3.14Å; K993-T997 PolarHBondContact O-N 2.71Å; K993-T997 PolarHBondContact O-OG1 3.03Å
994A73Confident70Confident13 Ų1351.8 Ų51.811%0.10728%0.283CS..Hα-helixtrans-61.4-45.917600000111.1W956 L960 V990 T991 V992 T997 A998W956-A994 HydrophobicContact CB-CB 3.76Å; W956-A994 HydrophobicContact CD2-CB 3.82Å; W956-A994 HydrophobicContact CE3-CB 4.09Å; W956-A994 HydrophobicContact CG-CB 3.7Å; L960-A994 HydrophobicContact CD1-CB 4.11Å; V990-A994 WeakPolarHBondContact O-CB 3.16Å; V990-A994 PolarHBondContact O-N 2.78Å; T991-A994 WeakPolarHBondContact O-CB 3.14Å; T991-A994 PolarHBondContact O-N 2.81Å; V992-A994 PolarHBondContact O-N 3.17Å; A994-T997 PolarHBondContact O-N 3.17Å; A994-A998 PolarHBondContact O-N 2.87Å
995F75.2Confident70.4Confident1 Ų149.5 Ų49.50%0.00427%0.27CS..Hα-helixtrans-66.6-38.2178.1-82.9-124.5000113W956 L960 I971 V974 T991 V992 T997 A998 D999 L1000 L1004 L1007W956-F995 HydrophobicContact CE3-CE2 4.49Å; W956-F995 HydrophobicContact CH2-CE2 4.08Å; W956-F995 HydrophobicContact CZ3-CD2 4.42Å; W956-F995 AromaticContact CZ3-CE2 3.7Å; W956-F995 HydrophobicContact CZ3-CE2 3.7Å; L960-F995 HydrophobicContact CD1-CD2 4.48Å; I971-F995 HydrophobicContact CB-CE1 4.39Å; I971-F995 HydrophobicContact CB-CZ 4.43Å; I971-F995 HydrophobicContact CG1-CE1 4.11Å; I971-F995 HydrophobicContact CG1-CZ 4.03Å; I971-F995 HydrophobicContact CG2-CE1 3.72Å; I971-F995 HydrophobicContact CG2-CZ 4.18Å; V974-F995 HydrophobicContact CB-CZ 4.37Å; V974-F995 HydrophobicContact CG1-CE2 4.26Å; V974-F995 HydrophobicContact CG1-CZ 4.04Å; T991-F995 HydrophobicContact CG2-CD2 4.07Å; T991-F995 HydrophobicContact CG2-CE2 3.82Å; T991-F995 WeakPolarHBondContact O-CD2 3.33Å; T991-F995 PolarHBondContact O-N 2.83Å; V992-F995 PolarHBondContact O-N 3.18Å; F995-T997 VanDerWaalsContact C-N 3.3Å; F995-T997 PolarHBondContact O-N 3.15Å; F995-A998 PolarHBondContact O-N 3.26Å; F995-D999 PolarHBondContact O-N 3.04Å; F995-L1000 PolarHBondContact O-N 2.9Å; F995-L1004 HydrophobicContact CB-CD1 3.88Å; F995-L1007 HydrophobicContact CE1-CD1 4.45Å
996M69.4Low70.8Confident100 Ų10052.4 Ų52.449%0.49328%0.28SS..Hα-helixtrans-63.1-37.3172.4-72.1-172.376.100112.1V992 K993 A998 D999 L1004 L1027V992-M996 HydrophobicContact CG1-CG 4.47Å; V992-M996 HydrophobicContact CG1-SD 4.46Å; V992-M996 WeakPolarHBondContact O-CG 3.38Å; V992-M996 PolarHBondContact O-N 2.88Å; K993-M996 PolarHBondContact O-N 2.88Å; M996-A998 VanDerWaalsContact C-N 3.32Å; M996-D999 PolarHBondContact O-N 3.39Å; M996-L1004 HydrophobicContact CG-CD1 3.52Å; M996-L1027 HydrophobicContact SD-CD2 4.47Å
997T71.3Confident71.2Confident126 Ų12647 Ų4777%0.77326%0.255SS*.Hα-helixtrans-71.4-30.9178.8-52.50000111.4K993 A994 F995 D999K993-T997 WeakPolarHBondContact O-CB 3.14Å; K993-T997 PolarHBondContact O-N 2.71Å; K993-T997 PolarHBondContact O-OG1 3.03Å; A994-T997 PolarHBondContact O-N 3.17Å; F995-T997 VanDerWaalsContact C-N 3.3Å; F995-T997 PolarHBondContact O-N 3.15Å; T997-D999 VanDerWaalsContact C-N 3.31Å
998A68.4Low71.2Confident28 Ų2846 Ų4623%0.23125%0.25CS..THydrogen-bonded Turntrans-85.24.4176.400000114.6L960 R967 A994 F995 M996 L1000L960-A998 HydrophobicContact CB-CB 4.07Å; L960-A998 HydrophobicContact CD1-CB 3.92Å; R967-A998 PolarHBondContact NH2-O 3.15Å; A994-A998 PolarHBondContact O-N 2.87Å; F995-A998 PolarHBondContact O-N 3.26Å; M996-A998 VanDerWaalsContact C-N 3.32Å; A998-L1000 HydrophobicContact CB-CD1 4.24Å
999D68.2Low71.5Confident136 Ų13647.8 Ų47.873%0.72726%0.258SS*.THydrogen-bonded Turntrans56.949.5176.5-15423.7000115.1F995 M996 T997 P1001F995-D999 PolarHBondContact O-N 3.04Å; M996-D999 PolarHBondContact O-N 3.39Å; T997-D999 VanDerWaalsContact C-N 3.31Å; D999-P1001 VanDerWaalsContact C-CD 3.45Å; D999-P1001 VanDerWaalsContact O-CD 3.22Å; D999-P1001 WeakPolarHBondContact O-CD 3.37Å
1000L71.4Confident71.6Confident25 Ų2549.9 Ų49.913%0.13126%0.263CS..  trans-115.372.9-178.3-67.2169.4000113R967 I971 F995 A998 E1003 L1004R967-L1000 VanDerWaalsContact NH2-CD2 3.33Å; I971-L1000 HydrophobicContact CD1-CD1 3.52Å; I971-L1000 HydrophobicContact CG1-CD1 4.45Å; F995-L1000 PolarHBondContact O-N 2.9Å; A998-L1000 HydrophobicContact CB-CD1 4.24Å; L1000-E1003 WeakPolarHBondContact CB-OE2 3.34Å; L1000-E1003 WeakPolarHBondContact CD1-OE2 3.42Å; L1000-E1003 VanDerWaalsContact CD2-OE2 3.26Å; L1000-E1003 WeakPolarHBondContact CD2-OE2 3.4Å; L1000-E1003 WeakPolarHBondContact CG-OE2 3.22Å; L1000-L1004 WeakPolarHBondContact O-CB 3.44Å; L1000-L1004 PolarHBondContact O-N 3.45Å
1001P66.9Low71.4Confident55 Ų5548.6 Ų48.636%0.35726%0.255SS..Hα-helixtrans-73.7-34.7-169.626.8-34.8000115.2D999 L1004 I1005 A1035D999-P1001 VanDerWaalsContact C-CD 3.45Å; D999-P1001 VanDerWaalsContact O-CD 3.22Å; D999-P1001 WeakPolarHBondContact O-CD 3.37Å; P1001-L1004 PolarHBondContact O-N 3.3Å; P1001-I1005 WeakPolarHBondContact O-CG1 3.48Å; P1001-I1005 PolarHBondContact O-N 2.92Å; P1001-I1005 VanDerWaalsContact O-N 3.13Å; P1001-A1035 HydrophobicContact CB-CB 4.16Å
1002N70.1Confident71.1Confident109 Ų10948.7 Ų48.758%0.58326%0.255SS*.Hα-helixtrans-72-41.4-177.4-67.1-21.4000112L1004 I1005 E1006N1002-L1004 VanDerWaalsContact C-N 3.28Å; N1002-L1004 PolarHBondContact O-N 2.93Å; N1002-I1005 PolarHBondContact O-N 3.02Å; N1002-E1006 PolarHBondContact O-N 3.48Å
1003E71Confident71Confident39 Ų3951.6 Ų51.618%0.18227%0.27CS..Hα-helixtrans-68.5-31.5177.6-65.4153.8-173.800110.9I971 L1000 E1006 L1007I971-E1003 HydrophobicContact CG2-CB 4.08Å; I971-E1003 HydrophobicContact CG2-CG 4.1Å; L1000-E1003 WeakPolarHBondContact CB-OE2 3.34Å; L1000-E1003 WeakPolarHBondContact CD1-OE2 3.42Å; L1000-E1003 VanDerWaalsContact CD2-OE2 3.26Å; L1000-E1003 WeakPolarHBondContact CD2-OE2 3.4Å; L1000-E1003 WeakPolarHBondContact CG-OE2 3.22Å; E1003-E1006 PolarHBondContact O-N 3.42Å; E1003-L1007 WeakPolarHBondContact O-CB 3.11Å; E1003-L1007 PolarHBondContact O-N 3.06Å
1004L71.8Confident70.6Confident3 Ų351.4 Ų51.42%0.01628%0.276CS..Hα-helixtrans-70.1-33.5174.1-166.9147.5000112.5V992 F995 M996 L1000 P1001 N1002 L1008 T1031V992-L1004 HydrophobicContact CG1-CD1 3.99Å; V992-L1004 HydrophobicContact CG1-CD2 4.47Å; V992-L1004 HydrophobicContact CG1-CG 4.4Å; F995-L1004 HydrophobicContact CB-CD1 3.88Å; M996-L1004 HydrophobicContact CG-CD1 3.52Å; L1000-L1004 WeakPolarHBondContact O-CB 3.44Å; L1000-L1004 PolarHBondContact O-N 3.45Å; P1001-L1004 PolarHBondContact O-N 3.3Å; N1002-L1004 VanDerWaalsContact C-N 3.28Å; N1002-L1004 PolarHBondContact O-N 2.93Å; L1004-L1008 HydrophobicContact CD2-CD1 3.46Å; L1004-L1008 VanDerWaalsContact CD2-CD1 3.46Å; L1004-L1008 HydrophobicContact CD2-CG 4.2Å; L1004-L1008 HydrophobicContact CG-CD1 4.4Å; L1004-L1008 WeakPolarHBondContact O-CB 3.28Å; L1004-L1008 VanDerWaalsContact O-CG 3.31Å; L1004-L1008 WeakPolarHBondContact O-CG 3.27Å; L1004-L1008 PolarHBondContact O-N 3.47Å; L1004-T1031 HydrophobicContact CD2-CG2 3.55Å; L1004-T1031 WeakPolarHBondContact CD2-OG1 3.29Å
1005I72.1Confident69.9Low10 Ų1053 Ų535%0.05128%0.282CS..Hα-helixtrans-65.6-49.4171.5-70.9173.3000110.4P1001 N1002 L1007 L1008 E1009 T1031 A1035P1001-I1005 WeakPolarHBondContact O-CG1 3.48Å; P1001-I1005 PolarHBondContact O-N 2.92Å; P1001-I1005 VanDerWaalsContact O-N 3.13Å; N1002-I1005 PolarHBondContact O-N 3.02Å; I1005-L1007 VanDerWaalsContact C-N 3.26Å; I1005-L1007 PolarHBondContact O-N 3.28Å; I1005-L1008 PolarHBondContact O-N 3.01Å; I1005-E1009 HydrophobicContact CG2-CG 4.15Å; I1005-E1009 WeakPolarHBondContact O-CB 3.49Å; I1005-E1009 WeakPolarHBondContact O-CG 3.3Å; I1005-E1009 PolarHBondContact O-N 3.42Å; I1005-T1031 HydrophobicContact CD1-CG2 4.21Å; I1005-T1031 HydrophobicContact CG1-CG2 3.67Å; I1005-A1035 HydrophobicContact CD1-CB 3.71Å
1006E72.8Confident69Low106 Ų10657.5 Ų57.550%0.49531%0.314SS..Hα-helixtrans-60.4-37178.9-69.7-173.1178.600112.3N1002 E1003 K1010N1002-E1006 PolarHBondContact O-N 3.48Å; E1003-E1006 PolarHBondContact O-N 3.42Å; E1006-K1010 PolarHBondContact O-N 3.08Å
1007L73.6Confident68.6Low2 Ų257 Ų571%0.0132%0.317CS..Hα-helixtrans-62.9-51.2174.1-174.2150.6000111.7V975 L979 V992 F995 E1003 I1005 I1011V975-L1007 HydrophobicContact CG1-CB 4.4Å; V975-L1007 HydrophobicContact CG2-CB 4.06Å; V975-L1007 HydrophobicContact CG2-CD1 4Å; V975-L1007 HydrophobicContact CG2-CG 4.41Å; L979-L1007 HydrophobicContact CD1-CD1 3.34Å; L979-L1007 HydrophobicContact CD1-CD2 4.07Å; L979-L1007 HydrophobicContact CD1-CG 3.62Å; V992-L1007 HydrophobicContact CG2-CD2 3.98Å; F995-L1007 HydrophobicContact CE1-CD1 4.45Å; E1003-L1007 WeakPolarHBondContact O-CB 3.11Å; E1003-L1007 PolarHBondContact O-N 3.06Å; I1005-L1007 VanDerWaalsContact C-N 3.26Å; I1005-L1007 PolarHBondContact O-N 3.28Å; L1007-I1011 HydrophobicContact CD2-CD1 3.54Å; L1007-I1011 HydrophobicContact CG-CD1 4.15Å; L1007-I1011 VanDerWaalsContact O-CG1 3.31Å; L1007-I1011 WeakPolarHBondContact O-CG1 3.24Å; L1007-I1011 PolarHBondContact O-N 3.17Å; L1007-I1011 VanDerWaalsContact O-N 3.16Å
1008L71.5Confident68.1Low0 Ų051.2 Ų51.20%028%0.281CS..Hα-helixtrans-72-34.3-177-72.4178.5000112.4V992 L1004 I1005 I1011 V1012 L1024 L1027 L1028V992-L1008 HydrophobicContact CG2-CD2 4.04Å; L1004-L1008 HydrophobicContact CD2-CD1 3.46Å; L1004-L1008 VanDerWaalsContact CD2-CD1 3.46Å; L1004-L1008 HydrophobicContact CD2-CG 4.2Å; L1004-L1008 HydrophobicContact CG-CD1 4.4Å; L1004-L1008 WeakPolarHBondContact O-CB 3.28Å; L1004-L1008 VanDerWaalsContact O-CG 3.31Å; L1004-L1008 WeakPolarHBondContact O-CG 3.27Å; L1004-L1008 PolarHBondContact O-N 3.47Å; I1005-L1008 PolarHBondContact O-N 3.01Å; L1008-I1011 PolarHBondContact O-N 3.49Å; L1008-V1012 VanDerWaalsContact O-CB 3.25Å; L1008-V1012 WeakPolarHBondContact O-CB 3.39Å; L1008-V1012 VanDerWaalsContact O-CG2 3.24Å; L1008-V1012 WeakPolarHBondContact O-CG2 3.46Å; L1008-V1012 PolarHBondContact O-N 2.44Å; L1008-L1024 HydrophobicContact CD2-CD2 4.35Å; L1008-L1027 HydrophobicContact CD1-CB 3.99Å; L1008-L1028 HydrophobicContact CB-CB 4.07Å; L1008-L1028 HydrophobicContact CB-CD1 3.68Å; L1008-L1028 HydrophobicContact CB-CG 4.36Å; L1008-L1028 HydrophobicContact CD1-CB 4.31Å
1009E74.4Confident67.8Low38 Ų3851.7 Ų51.718%0.17828%0.283CS..Hα-helixtrans-57.2-51.2173-81.8-174.9142.700110.7I1005 I1011 L1013 L1028 R1039 Y1043I1005-E1009 HydrophobicContact CG2-CG 4.15Å; I1005-E1009 WeakPolarHBondContact O-CB 3.49Å; I1005-E1009 WeakPolarHBondContact O-CG 3.3Å; I1005-E1009 PolarHBondContact O-N 3.42Å; E1009-I1011 PolarHBondContact O-N 3.12Å; E1009-L1013 HydrophobicContact CB-CD1 4.33Å; E1009-L1013 HydrophobicContact CG-CD1 4.41Å; E1009-L1013 WeakPolarHBondContact O-CB 3.42Å; E1009-L1013 WeakPolarHBondContact O-CG 3.21Å; E1009-L1013 PolarHBondContact O-N 2.88Å; E1009-L1028 HydrophobicContact CG-CD1 4.09Å; E1009-R1039 IonicContact OE1-CZ 3.39Å; E1009-R1039 IonicContact OE1-NH1 3.94Å; E1009-R1039 PolarHBondContact OE1-NH1 3.32Å; E1009-R1039 IonicContact OE2-NH1 3.53Å; E1009-R1039 PolarHBondContact OE2-NH1 3.07Å; E1009-Y1043 HydrophobicContact CG-CE1 4.01Å; E1009-Y1043 WeakPolarHBondContact CG-OH 3.3Å; E1009-Y1043 PolarHBondContact OE1-OH 3.43Å
1010K71.7Confident67.5Low84 Ų8452.1 Ų52.137%0.36528%0.28SS..Iπ-helixtrans-64.4-40.9-179.9-75.4-179.6179.8171.90113V975 E1006 D1014V975-K1010 HydrophobicContact CG1-CD 4.43Å; E1006-K1010 PolarHBondContact O-N 3.08Å; K1010-D1014 WeakPolarHBondContact O-CB 3.45Å; K1010-D1014 PolarHBondContact O-N 2.95Å; K1010-D1014 VanDerWaalsContact O-N 3.17Å
1011I69Low67.4Low6 Ų654.4 Ų54.43%0.03129%0.29CS..Iπ-helixtrans-70.2-42.6-178.5-67.6173.9000111.5L979 I988 L1007 L1008 E1009 N1015 F1018 L1024L979-I1011 HydrophobicContact CB-CD1 3.98Å; L979-I1011 HydrophobicContact CB-CG1 4.41Å; L979-I1011 HydrophobicContact CD1-CD1 4.11Å; L979-I1011 HydrophobicContact CG-CD1 4.44Å; I988-I1011 HydrophobicContact CD1-CD1 4.45Å; I988-I1011 HydrophobicContact CD1-CG2 4.13Å; I988-I1011 HydrophobicContact CG2-CD1 3.79Å; L1007-I1011 HydrophobicContact CD2-CD1 3.54Å; L1007-I1011 HydrophobicContact CG-CD1 4.15Å; L1007-I1011 VanDerWaalsContact O-CG1 3.31Å; L1007-I1011 WeakPolarHBondContact O-CG1 3.24Å; L1007-I1011 PolarHBondContact O-N 3.17Å; L1007-I1011 VanDerWaalsContact O-N 3.16Å; L1008-I1011 PolarHBondContact O-N 3.49Å; E1009-I1011 PolarHBondContact O-N 3.12Å; I1011-N1015 WeakPolarHBondContact O-CB 3.24Å; I1011-F1018 HydrophobicContact CG2-CB 3.87Å; I1011-F1018 HydrophobicContact CG2-CD2 4.32Å; I1011-F1018 HydrophobicContact CG2-CG 4.21Å; I1011-L1024 HydrophobicContact CG2-CD1 4.26Å
1012V68.2Low67.7Low3 Ų357.5 Ų57.52%0.01830%0.295CS..Iπ-helixtrans-85.1-35.7-172.7179.60000111.9L1008 L1024 Q1025 L1028 L1047L1008-V1012 VanDerWaalsContact O-CB 3.25Å; L1008-V1012 WeakPolarHBondContact O-CB 3.39Å; L1008-V1012 VanDerWaalsContact O-CG2 3.24Å; L1008-V1012 WeakPolarHBondContact O-CG2 3.46Å; L1008-V1012 PolarHBondContact O-N 2.44Å; V1012-L1024 HydrophobicContact CG2-CB 4.03Å; V1012-Q1025 HydrophobicContact CG1-CG 3.88Å; V1012-L1028 HydrophobicContact CB-CD2 4.03Å; V1012-L1028 HydrophobicContact CG1-CD2 4.17Å; V1012-L1028 HydrophobicContact CG2-CD2 4.37Å; V1012-L1047 HydrophobicContact CG1-CD1 4.26Å; V1012-L1047 HydrophobicContact CG1-CD2 3.51Å
1013L68.8Low67.9Low63 Ų6357.3 Ų57.333%0.3329%0.293SS..Iπ-helixtrans-91.8-38-176.9-59.4171.4000113.6E1009 Y1043 L1047E1009-L1013 HydrophobicContact CB-CD1 4.33Å; E1009-L1013 HydrophobicContact CG-CD1 4.41Å; E1009-L1013 WeakPolarHBondContact O-CB 3.42Å; E1009-L1013 WeakPolarHBondContact O-CG 3.21Å; E1009-L1013 PolarHBondContact O-N 2.88Å; L1013-Y1043 HydrophobicContact CD1-CD1 4.45Å; L1013-Y1043 HydrophobicContact CD1-CE1 4.19Å; L1013-L1047 HydrophobicContact CD2-CD2 4.19Å
1014D63Low67.9Low133 Ų13355.8 Ų55.871%0.71129%0.286SS*.Iπ-helixtrans-95.5-22-174.1-62.4-32.8000113.6K1010K1010-D1014 WeakPolarHBondContact O-CB 3.45Å; K1010-D1014 PolarHBondContact O-N 2.95Å; K1010-D1014 VanDerWaalsContact O-N 3.17Å
1015N58.7Low68.2Low45 Ų4555.9 Ų55.924%0.24129%0.287CS..  trans-108.1108.1-172.4-136.8-16.3000112.1I1011 V1017 F1018 S1019I1011-N1015 WeakPolarHBondContact O-CB 3.24Å; N1015-V1017 VanDerWaalsContact C-N 3.26Å; N1015-V1017 PolarHBondContact O-N 3.49Å; N1015-V1017 VanDerWaalsContact O-N 3.13Å; N1015-F1018 PolarHBondContact O-N 3.46Å; N1015-S1019 PolarHBondContact O-N 3.17Å
1016S56.8Low68.5Low96 Ų9656.4 Ų56.467%0.67129%0.29SS*.THydrogen-bonded Turntrans-61.5-27.1-169.959.30000114.7S1019S1016-S1019 PolarHBondContact O-OG 2.77Å
1017V60.7Low68.7Low91 Ų9153.8 Ų53.855%0.55228%0.279SS*.THydrogen-bonded Turntrans-73.4-31.9-177-1740000112.7N1015N1015-V1017 VanDerWaalsContact C-N 3.26Å; N1015-V1017 PolarHBondContact O-N 3.49Å; N1015-V1017 VanDerWaalsContact O-N 3.13Å
1018F61.3Low68.9Low3 Ų353.7 Ų53.71%0.01328%0.278CS..THydrogen-bonded Turntrans-103.4-9.5-177.5-61.1-74.2000113.3T982 R983 P985 I988 I1011 N1015 E1020 H1021 L1024T982-F1018 WeakPolarHBondContact O-CE2 3.25Å; T982-F1018 WeakPolarHBondContact O-CZ 3.41Å; R983-F1018 VanDerWaalsContact C-CZ 3.41Å; R983-F1018 WeakPolarHBondContact O-CZ 3.25Å; P985-F1018 HydrophobicContact CB-CE1 4.38Å; P985-F1018 HydrophobicContact CG-CE1 4.02Å; I988-F1018 HydrophobicContact CD1-CD1 3.85Å; I988-F1018 HydrophobicContact CD1-CD2 4.11Å; I988-F1018 HydrophobicContact CD1-CE1 3.55Å; I988-F1018 HydrophobicContact CD1-CE2 3.83Å; I988-F1018 HydrophobicContact CD1-CG 4.09Å; I988-F1018 HydrophobicContact CD1-CZ 3.5Å; I1011-F1018 HydrophobicContact CG2-CB 3.87Å; I1011-F1018 HydrophobicContact CG2-CD2 4.32Å; I1011-F1018 HydrophobicContact CG2-CG 4.21Å; N1015-F1018 PolarHBondContact O-N 3.46Å; F1018-E1020 PolarHBondContact O-N 3.34Å; F1018-E1020 VanDerWaalsContact O-N 3.16Å; F1018-H1021 WeakPolarHBondContact O-CB 3.16Å; F1018-H1021 PolarHBondContact O-N 2.84Å; F1018-L1024 HydrophobicContact CB-CD1 4.19Å; F1018-L1024 HydrophobicContact CD1-CD1 4.22Å
1019S62.5Low69.2Low39 Ų3953.7 Ų53.727%0.27328%0.278SS..THydrogen-bonded Turntrans-54.2-31.7174.970.80000112.1N1015 S1016 Q1025N1015-S1019 PolarHBondContact O-N 3.17Å; S1016-S1019 PolarHBondContact O-OG 2.77Å; S1019-Q1025 PolarHBondContact O-NE2 2.85Å
1020E60.8Low69.3Low144 Ų14454.2 Ų54.267%0.67328%0.282SS*.THydrogen-bonded Turntrans-87.1-3.2178.3-63.5-148.2157.700114.9F1018 R1022F1018-E1020 PolarHBondContact O-N 3.34Å; F1018-E1020 VanDerWaalsContact O-N 3.16Å; E1020-R1022 PolarHBondContact O-N 2.94Å; E1020-R1022 VanDerWaalsContact O-N 3.14Å
1021H69.6Low69.4Low73 Ų7351 Ų5134%0.33827%0.269SS..  trans-80.9102-170.7-136.7-76.1000111.8F1018 N1023 L1024 Q1025F1018-H1021 WeakPolarHBondContact O-CB 3.16Å; F1018-H1021 PolarHBondContact O-N 2.84Å; H1021-N1023 VanDerWaalsContact C-N 3.31Å; H1021-N1023 PolarHBondContact O-N 3.17Å; H1021-N1023 VanDerWaalsContact O-N 3.13Å; H1021-L1024 HydrophobicContact CB-CD1 4.13Å; H1021-L1024 HydrophobicContact CB-CG 4.39Å; H1021-L1024 PolarHBondContact O-N 3.27Å; H1021-Q1025 PolarHBondContact O-N 2.85Å
1022R72.7Confident69.7Low121 Ų12150.7 Ų50.746%0.45727%0.268SS..Hα-helixtrans-46.8-45.2-175-177.6167-170.5-150.23.4115.5E1020 L1024 Q1025 N1026 N1049 D1051E1020-R1022 PolarHBondContact O-N 2.94Å; E1020-R1022 VanDerWaalsContact O-N 3.14Å; R1022-L1024 VanDerWaalsContact C-N 3.34Å; R1022-L1024 PolarHBondContact O-N 3.22Å; R1022-Q1025 PolarHBondContact O-N 3.16Å; R1022-N1026 WeakPolarHBondContact O-CB 3.44Å; R1022-N1026 PolarHBondContact O-N 2.92Å; R1022-N1026 PolarHBondContact O-OD1 2.89Å; R1022-N1049 WeakPolarHBondContact CA-O 3.36Å; R1022-N1049 WeakPolarHBondContact CB-O 3.32Å; R1022-N1049 WeakPolarHBondContact CG-O 3.4Å; R1022-D1051 IonicContact CZ-OD2 3.94Å; R1022-D1051 IonicContact NH2-OD1 3.72Å; R1022-D1051 PolarHBondContact NH2-OD1 2.88Å; R1022-D1051 IonicContact NH2-OD2 3.8Å; R1022-D1051 PolarHBondContact NH2-OD2 3.2Å
1023N74.6Confident70Confident104 Ų10451 Ų5156%0.55627%0.269SS*.Hα-helixtrans-68-32.9-177.2-66-15.9000113.1H1021 L1027H1021-N1023 VanDerWaalsContact C-N 3.31Å; H1021-N1023 PolarHBondContact O-N 3.17Å; H1021-N1023 VanDerWaalsContact O-N 3.13Å; N1023-L1027 WeakPolarHBondContact O-CB 3.07Å; N1023-L1027 WeakPolarHBondContact O-CD1 3.46Å; N1023-L1027 VanDerWaalsContact O-CG 3.27Å; N1023-L1027 WeakPolarHBondContact O-CG 3.4Å; N1023-L1027 PolarHBondContact O-N 2.79Å
1024L72.6Confident70.1Confident7 Ų756.6 Ų56.64%0.03729%0.291CS..Hα-helixtrans-76-39.8178.6-65.1177.3000110.9I988 L1008 I1011 V1012 F1018 H1021 R1022 N1026 L1027 L1028I988-L1024 HydrophobicContact CG2-CD1 4.27Å; I988-L1024 HydrophobicContact CG2-CD2 3.85Å; L1008-L1024 HydrophobicContact CD2-CD2 4.35Å; I1011-L1024 HydrophobicContact CG2-CD1 4.26Å; V1012-L1024 HydrophobicContact CG2-CB 4.03Å; F1018-L1024 HydrophobicContact CB-CD1 4.19Å; F1018-L1024 HydrophobicContact CD1-CD1 4.22Å; H1021-L1024 HydrophobicContact CB-CD1 4.13Å; H1021-L1024 HydrophobicContact CB-CG 4.39Å; H1021-L1024 PolarHBondContact O-N 3.27Å; R1022-L1024 VanDerWaalsContact C-N 3.34Å; R1022-L1024 PolarHBondContact O-N 3.22Å; L1024-N1026 VanDerWaalsContact C-N 3.32Å; L1024-N1026 PolarHBondContact O-N 3.24Å; L1024-L1027 PolarHBondContact O-N 3.46Å; L1024-L1028 PolarHBondContact O-N 2.78Å
1025Q77.1Confident70.5Confident6 Ų652.3 Ų52.33%0.02828%0.275CS..Hα-helixtrans-60.2-43.3171.2-64.7-166.7-100111.5V1012 S1019 H1021 R1022 L1027 L1028 I1029 L1047 Y1050V1012-Q1025 HydrophobicContact CG1-CG 3.88Å; S1019-Q1025 PolarHBondContact O-NE2 2.85Å; H1021-Q1025 PolarHBondContact O-N 2.85Å; R1022-Q1025 PolarHBondContact O-N 3.16Å; Q1025-L1027 PolarHBondContact O-N 2.97Å; Q1025-L1028 PolarHBondContact O-N 2.87Å; Q1025-I1029 WeakPolarHBondContact O-CG1 3.46Å; Q1025-I1029 PolarHBondContact O-N 3.48Å; Q1025-L1047 HydrophobicContact CB-CD1 4.27Å; Q1025-L1047 HydrophobicContact CG-CD1 4.31Å; Q1025-L1047 HydrophobicContact CG-CD2 4.28Å; Q1025-Y1050 VanDerWaalsContact OE1-N 3.13Å
1026N79.2Confident71.1Confident21 Ų2152.5 Ų52.511%0.11228%0.276CS..Hα-helixtrans-58.7-47.9175.2-70.2-2.5000111.4R1022 L1024 L1028 I1029 L1030 Y1050 D1051 I1055R1022-N1026 WeakPolarHBondContact O-CB 3.44Å; R1022-N1026 PolarHBondContact O-N 2.92Å; R1022-N1026 PolarHBondContact O-OD1 2.89Å; L1024-N1026 VanDerWaalsContact C-N 3.32Å; L1024-N1026 PolarHBondContact O-N 3.24Å; N1026-L1028 VanDerWaalsContact C-N 3.34Å; N1026-L1028 PolarHBondContact O-N 2.8Å; N1026-I1029 PolarHBondContact O-N 2.84Å; N1026-L1030 VanDerWaalsContact O-CB 3.28Å; N1026-L1030 WeakPolarHBondContact O-CB 3.49Å; N1026-L1030 WeakPolarHBondContact O-CG 3.25Å; N1026-L1030 PolarHBondContact O-N 2.75Å; N1026-Y1050 VanDerWaalsContact OD1-CA 3.32Å; N1026-Y1050 WeakPolarHBondContact OD1-CA 3.36Å; N1026-Y1050 WeakPolarHBondContact OD1-CB 3.29Å; N1026-D1051 PolarHBondContact OD1-N 3.39Å; N1026-I1055 WeakPolarHBondContact OD1-CD1 3.42Å
1027L75.7Confident72Confident50 Ų5055.2 Ų55.226%0.26227%0.271SS..Hα-helixtrans-64.3-37.4179.5-74.6165.3000112.4V992 M996 L1008 N1023 L1024 Q1025 T1031V992-L1027 HydrophobicContact CG1-CD1 4.26Å; M996-L1027 HydrophobicContact SD-CD2 4.47Å; L1008-L1027 HydrophobicContact CD1-CB 3.99Å; N1023-L1027 WeakPolarHBondContact O-CB 3.07Å; N1023-L1027 WeakPolarHBondContact O-CD1 3.46Å; N1023-L1027 VanDerWaalsContact O-CG 3.27Å; N1023-L1027 WeakPolarHBondContact O-CG 3.4Å; N1023-L1027 PolarHBondContact O-N 2.79Å; L1024-L1027 PolarHBondContact O-N 3.46Å; Q1025-L1027 PolarHBondContact O-N 2.97Å; L1027-T1031 VanDerWaalsContact O-CB 3.28Å; L1027-T1031 WeakPolarHBondContact O-CB 3.46Å; L1027-T1031 PolarHBondContact O-N 2.8Å; L1027-T1031 PolarHBondContact O-OG1 2.91Å
1028L78.6Confident72.7Confident0 Ų056.4 Ų56.40%028%0.279CS..Hα-helixtrans-62.7-51176.617758.7000110.7L1008 E1009 V1012 L1024 Q1025 N1026 L1030 T1031 A1032 Y1043 L1047L1008-L1028 HydrophobicContact CB-CB 4.07Å; L1008-L1028 HydrophobicContact CB-CD1 3.68Å; L1008-L1028 HydrophobicContact CB-CG 4.36Å; L1008-L1028 HydrophobicContact CD1-CB 4.31Å; E1009-L1028 HydrophobicContact CG-CD1 4.09Å; V1012-L1028 HydrophobicContact CB-CD2 4.03Å; V1012-L1028 HydrophobicContact CG1-CD2 4.17Å; V1012-L1028 HydrophobicContact CG2-CD2 4.37Å; L1024-L1028 PolarHBondContact O-N 2.78Å; Q1025-L1028 PolarHBondContact O-N 2.87Å; N1026-L1028 VanDerWaalsContact C-N 3.34Å; N1026-L1028 PolarHBondContact O-N 2.8Å; L1028-L1030 PolarHBondContact O-N 2.81Å; L1028-T1031 PolarHBondContact O-N 3.29Å; L1028-A1032 VanDerWaalsContact O-CB 3.3Å; L1028-A1032 WeakPolarHBondContact O-CB 3.27Å; L1028-A1032 PolarHBondContact O-N 3.34Å; L1028-Y1043 HydrophobicContact CD1-CE2 4.38Å; L1028-Y1043 HydrophobicContact CD2-CD1 4.34Å; L1028-Y1043 HydrophobicContact CD2-CG 4.46Å; L1028-Y1043 HydrophobicContact CG-CD2 4.42Å; L1028-L1047 HydrophobicContact CD2-CD1 4.15Å
1029I77.4Confident73.3Confident0 Ų060.9 Ų60.90%030%0.295CS..Hα-helixtrans-64.7-43.1-178.7-63.3166.2000110.6Q1025 N1026 T1031 A1032 I1033 V1040 I1044 L1047 Y1050 I1055Q1025-I1029 WeakPolarHBondContact O-CG1 3.46Å; Q1025-I1029 PolarHBondContact O-N 3.48Å; N1026-I1029 PolarHBondContact O-N 2.84Å; I1029-T1031 PolarHBondContact O-N 3.07Å; I1029-A1032 PolarHBondContact O-N 2.92Å; I1029-I1033 HydrophobicContact CG2-CD1 3.87Å; I1029-I1033 HydrophobicContact CG2-CG1 4.4Å; I1029-I1033 VanDerWaalsContact O-CG1 3.24Å; I1029-I1033 WeakPolarHBondContact O-CG1 3.28Å; I1029-I1033 PolarHBondContact O-N 3.48Å; I1029-V1040 HydrophobicContact CG2-CG1 4.46Å; I1029-I1044 HydrophobicContact CG2-CG1 4.49Å; I1029-L1047 HydrophobicContact CD1-CD1 4.12Å; I1029-L1047 HydrophobicContact CG1-CD1 4.19Å; I1029-Y1050 HydrophobicContact CD1-CD1 3.54Å; I1029-Y1050 HydrophobicContact CD1-CD2 4.16Å; I1029-Y1050 HydrophobicContact CD1-CE1 3.85Å; I1029-Y1050 HydrophobicContact CD1-CE2 4.44Å; I1029-Y1050 HydrophobicContact CD1-CG 3.7Å; I1029-I1055 HydrophobicContact CB-CD1 4.28Å; I1029-I1055 HydrophobicContact CD1-CD1 3.72Å; I1029-I1055 HydrophobicContact CG2-CD1 4.4Å; I1029-I1055 HydrophobicContact CG2-CG1 4.33Å; I1029-I1055 HydrophobicContact CG2-CG2 3.59Å
1030L76.7Confident74Confident49 Ų4959 Ų5926%0.25728%0.283SS..Hα-helixtrans-66.1-36.9179.3-69.9174.4000113.1N1026 L1028 K1034 I1058N1026-L1030 VanDerWaalsContact O-CB 3.28Å; N1026-L1030 WeakPolarHBondContact O-CB 3.49Å; N1026-L1030 WeakPolarHBondContact O-CG 3.25Å; N1026-L1030 PolarHBondContact O-N 2.75Å; L1028-L1030 PolarHBondContact O-N 2.81Å; L1030-K1034 PolarHBondContact O-N 2.8Å; L1030-I1058 HydrophobicContact CD2-CB 4.06Å; L1030-I1058 HydrophobicContact CD2-CD1 3.42Å; L1030-I1058 VanDerWaalsContact CD2-CD1 3.42Å; L1030-I1058 HydrophobicContact CD2-CG1 4.31Å; L1030-I1058 HydrophobicContact CD2-CG2 3.74Å
1031T73.6Confident74.7Confident16 Ų1655.9 Ų55.910%0.09827%0.269CS..Hα-helixtrans-71.8-41176.7-49.70000110.3L1004 I1005 L1027 L1028 I1029 I1033 K1034 A1035L1004-T1031 HydrophobicContact CD2-CG2 3.55Å; L1004-T1031 WeakPolarHBondContact CD2-OG1 3.29Å; I1005-T1031 HydrophobicContact CD1-CG2 4.21Å; I1005-T1031 HydrophobicContact CG1-CG2 3.67Å; L1027-T1031 VanDerWaalsContact O-CB 3.28Å; L1027-T1031 WeakPolarHBondContact O-CB 3.46Å; L1027-T1031 PolarHBondContact O-N 2.8Å; L1027-T1031 PolarHBondContact O-OG1 2.91Å; L1028-T1031 PolarHBondContact O-N 3.29Å; I1029-T1031 PolarHBondContact O-N 3.07Å; T1031-I1033 PolarHBondContact O-N 3.47Å; T1031-K1034 PolarHBondContact O-N 3.4Å; T1031-K1034 VanDerWaalsContact O-N 3.14Å; T1031-A1035 PolarHBondContact O-N 3.29Å
1032A74.9Confident75.1Confident1 Ų156.4 Ų56.41%0.00827%0.271CS..Hα-helixtrans-59.8-44.9173.900000112L1028 I1029 K1034 A1035 D1036 V1040 Y1043L1028-A1032 VanDerWaalsContact O-CB 3.3Å; L1028-A1032 WeakPolarHBondContact O-CB 3.27Å; L1028-A1032 PolarHBondContact O-N 3.34Å; I1029-A1032 PolarHBondContact O-N 2.92Å; A1032-K1034 PolarHBondContact O-N 3.45Å; A1032-K1034 VanDerWaalsContact O-N 3.16Å; A1032-A1035 PolarHBondContact O-N 2.98Å; A1032-D1036 CarbonylContact O-C 3.6Å; A1032-D1036 WeakPolarHBondContact O-CA 3.32Å; A1032-D1036 PolarHBondContact O-N 3.06Å; A1032-V1040 HydrophobicContact CB-CG2 3.88Å; A1032-Y1043 HydrophobicContact CB-CD2 3.91Å; A1032-Y1043 HydrophobicContact CB-CE2 3.62Å
1033I74.6Confident75.3Confident8 Ų850.8 Ų50.84%0.04125%0.25CS..Hα-helixtrans-56.1-35.8175.9-71.6166.4000111.8I1029 T1031 V1040 I1058 S1062 L1064I1029-I1033 HydrophobicContact CG2-CD1 3.87Å; I1029-I1033 HydrophobicContact CG2-CG1 4.4Å; I1029-I1033 VanDerWaalsContact O-CG1 3.24Å; I1029-I1033 WeakPolarHBondContact O-CG1 3.28Å; I1029-I1033 PolarHBondContact O-N 3.48Å; T1031-I1033 PolarHBondContact O-N 3.47Å; I1033-V1040 HydrophobicContact CD1-CG1 4.45Å; I1033-V1040 HydrophobicContact CG1-CG1 3.85Å; I1033-V1040 HydrophobicContact CG1-CG2 3.86Å; I1033-I1058 HydrophobicContact CD1-CG2 4.41Å; I1033-I1058 HydrophobicContact CG2-CG2 4.49Å; I1033-S1062 WeakPolarHBondContact CG2-OG 3.47Å; I1033-L1064 HydrophobicContact CG1-CD1 4.17Å; I1033-L1064 HydrophobicContact CG2-CD1 4.41Å
1034K71.4Confident75.4Confident181 Ų18146 Ų4679%0.78722%0.224SC*.Hα-helixtrans-80.3-38.8-179.8-74.9-176.3177.4-179.20113.9L1030 T1031 A1032L1030-K1034 PolarHBondContact O-N 2.8Å; T1031-K1034 PolarHBondContact O-N 3.4Å; T1031-K1034 VanDerWaalsContact O-N 3.14Å; A1032-K1034 PolarHBondContact O-N 3.45Å; A1032-K1034 VanDerWaalsContact O-N 3.16Å
1035A71Confident75.5Confident44 Ų4449.1 Ų49.136%0.36425%0.247SC..Hα-helixtrans-111.9-33.4-169.600000115P1001 I1005 T1031 A1032P1001-A1035 HydrophobicContact CB-CB 4.16Å; I1005-A1035 HydrophobicContact CD1-CB 3.71Å; T1031-A1035 PolarHBondContact O-N 3.29Å; A1032-A1035 PolarHBondContact O-N 2.98Å
1036D72.4Confident75.4Confident49 Ų4956 Ų5626%0.26227%0.273SS..  trans-144.496.5176.3-171.5-3.8000112.4A1032 T1038 R1039A1032-D1036 CarbonylContact O-C 3.6Å; A1032-D1036 WeakPolarHBondContact O-CA 3.32Å; A1032-D1036 PolarHBondContact O-N 3.06Å; D1036-T1038 VanDerWaalsContact C-N 3.26Å; D1036-T1038 PolarHBondContact O-N 2.92Å; D1036-T1038 PolarHBondContact OD1-N 2.86Å; D1036-T1038 VanDerWaalsContact OD1-N 3.17Å; D1036-T1038 PolarHBondContact OD1-OG1 3.43Å; D1036-R1039 IonicContact OD2-CZ 3.37Å; D1036-R1039 IonicContact OD2-NE 3.28Å; D1036-R1039 PolarHBondContact OD2-NE 3.46Å
1037R74.4Confident75.3Confident152 Ų15255.4 Ų55.457%0.57427%0.269SS*.THydrogen-bonded Turntrans-68.4-20-176.2-61.4-178.1-176.1-179.70.6114R1039R1037-R1039 PolarHBondContact O-N 2.91Å
1038T74.9Confident75Confident117 Ų11757.6 Ų57.672%0.71828%0.281SS*.THydrogen-bonded Turntrans-73.9-27.2-173640000112.9D1036D1036-T1038 VanDerWaalsContact C-N 3.26Å; D1036-T1038 PolarHBondContact O-N 2.92Å; D1036-T1038 PolarHBondContact OD1-N 2.86Å; D1036-T1038 VanDerWaalsContact OD1-N 3.17Å; D1036-T1038 PolarHBondContact OD1-OG1 3.43Å
1039R74.4Confident74.7Confident96 Ų9660.7 Ų60.736%0.36230%0.298SS..SBendtrans-91.9-11.5-176.9-57.5-174.5-169.9-1660.6114.1E1009 D1036 R1037 M1041 E1042 Y1043E1009-R1039 IonicContact OE1-CZ 3.39Å; E1009-R1039 IonicContact OE1-NH1 3.94Å; E1009-R1039 PolarHBondContact OE1-NH1 3.32Å; E1009-R1039 IonicContact OE2-NH1 3.53Å; E1009-R1039 PolarHBondContact OE2-NH1 3.07Å; D1036-R1039 IonicContact OD2-CZ 3.37Å; D1036-R1039 IonicContact OD2-NE 3.28Å; D1036-R1039 PolarHBondContact OD2-NE 3.46Å; R1037-R1039 PolarHBondContact O-N 2.91Å; R1039-M1041 VanDerWaalsContact C-N 3.3Å; R1039-M1041 PolarHBondContact O-N 3.49Å; R1039-E1042 WeakPolarHBondContact O-CB 3.47Å; R1039-E1042 PolarHBondContact O-N 3.31Å; R1039-E1042 VanDerWaalsContact O-N 3.08Å; R1039-Y1043 HydrophobicContact CB-CD2 4.35Å; R1039-Y1043 HydrophobicContact CB-CE1 4.49Å; R1039-Y1043 HydrophobicContact CB-CE2 3.59Å; R1039-Y1043 WeakPolarHBondContact CD-OH 3.43Å; R1039-Y1043 VanDerWaalsContact O-CD2 3.3Å; R1039-Y1043 WeakPolarHBondContact O-CD2 3.4Å; R1039-Y1043 PolarHBondContact O-N 2.8Å; R1039-Y1043 VanDerWaalsContact O-N 3.12Å
1040V77.1Confident74.6Confident0 Ų060.9 Ų60.90%030%0.299CS..Hα-helixtrans-57.3-42.4-176.1177.10000111.7I1029 A1032 I1033 E1042 Y1043 I1044 L1064 E1067I1029-V1040 HydrophobicContact CG2-CG1 4.46Å; A1032-V1040 HydrophobicContact CB-CG2 3.88Å; I1033-V1040 HydrophobicContact CD1-CG1 4.45Å; I1033-V1040 HydrophobicContact CG1-CG1 3.85Å; I1033-V1040 HydrophobicContact CG1-CG2 3.86Å; V1040-E1042 PolarHBondContact O-N 3.02Å; V1040-Y1043 PolarHBondContact O-N 3Å; V1040-I1044 HydrophobicContact CG1-CD1 3.63Å; V1040-I1044 HydrophobicContact CG1-CG1 4.41Å; V1040-I1044 WeakPolarHBondContact O-CB 3.2Å; V1040-I1044 VanDerWaalsContact O-CG1 3.29Å; V1040-I1044 WeakPolarHBondContact O-CG1 3.32Å; V1040-I1044 PolarHBondContact O-N 3.13Å; V1040-L1064 HydrophobicContact CG1-CD1 4.29Å; V1040-L1064 HydrophobicContact CG2-CD1 4.45Å; V1040-E1067 HydrophobicContact CG1-CG 4.26Å
1041M75.4Confident74.7Confident78 Ų7860 Ų6038%0.38429%0.294SS..Hα-helixtrans-64.4-38.7178-168.367.5177.500112.6R1039 S1045 E1067 T1070R1039-M1041 VanDerWaalsContact C-N 3.3Å; R1039-M1041 PolarHBondContact O-N 3.49Å; M1041-S1045 WeakPolarHBondContact O-CB 3.38Å; M1041-S1045 PolarHBondContact O-N 3.14Å; M1041-S1045 PolarHBondContact O-OG 3.49Å; M1041-E1067 HydrophobicContact CB-CG 4.31Å; M1041-E1067 HydrophobicContact SD-CG 3.86Å; M1041-T1070 HydrophobicContact CE-CG2 3.72Å
1042E77.9Confident74.6Confident84 Ų8459.5 Ų59.539%0.39329%0.292SS..Hα-helixtrans-64.7-45.6177.7-172.8174.7179.100110.7R1039 V1040 S1045 R1046R1039-E1042 WeakPolarHBondContact O-CB 3.47Å; R1039-E1042 PolarHBondContact O-N 3.31Å; R1039-E1042 VanDerWaalsContact O-N 3.08Å; V1040-E1042 PolarHBondContact O-N 3.02Å; E1042-S1045 PolarHBondContact O-N 3.2Å; E1042-S1045 PolarHBondContact O-OG 3.36Å; E1042-R1046 WeakPolarHBondContact O-CG 3.35Å; E1042-R1046 PolarHBondContact O-N 3.09Å; E1042-R1046 VanDerWaalsContact O-N 3.08Å; E1042-R1046 IonicContact OE1-CZ 2.61Å; E1042-R1046 IonicContact OE1-NE 3.68Å; E1042-R1046 IonicContact OE1-NH1 3.09Å; E1042-R1046 PolarHBondContact OE1-NH1 2.81Å; E1042-R1046 IonicContact OE1-NH2 2.63Å; E1042-R1046 PolarHBondContact OE1-NH2 2.98Å
1043Y78.1Confident74.7Confident4 Ų463.6 Ų63.62%0.01631%0.313CS..Hα-helixtrans-65.6-43.4177-54.7-41.6000112.9E1009 L1013 L1028 A1032 R1039 V1040 S1045 R1046 L1047E1009-Y1043 HydrophobicContact CG-CE1 4.01Å; E1009-Y1043 WeakPolarHBondContact CG-OH 3.3Å; E1009-Y1043 PolarHBondContact OE1-OH 3.43Å; L1013-Y1043 HydrophobicContact CD1-CD1 4.45Å; L1013-Y1043 HydrophobicContact CD1-CE1 4.19Å; L1028-Y1043 HydrophobicContact CD1-CE2 4.38Å; L1028-Y1043 HydrophobicContact CD2-CD1 4.34Å; L1028-Y1043 HydrophobicContact CD2-CG 4.46Å; L1028-Y1043 HydrophobicContact CG-CD2 4.42Å; A1032-Y1043 HydrophobicContact CB-CD2 3.91Å; A1032-Y1043 HydrophobicContact CB-CE2 3.62Å; R1039-Y1043 HydrophobicContact CB-CD2 4.35Å; R1039-Y1043 HydrophobicContact CB-CE1 4.49Å; R1039-Y1043 HydrophobicContact CB-CE2 3.59Å; R1039-Y1043 WeakPolarHBondContact CD-OH 3.43Å; R1039-Y1043 VanDerWaalsContact O-CD2 3.3Å; R1039-Y1043 WeakPolarHBondContact O-CD2 3.4Å; R1039-Y1043 PolarHBondContact O-N 2.8Å; R1039-Y1043 VanDerWaalsContact O-N 3.12Å; V1040-Y1043 PolarHBondContact O-N 3Å; Y1043-S1045 PolarHBondContact O-N 3.18Å; Y1043-R1046 PolarHBondContact O-N 2.92Å; Y1043-L1047 VanDerWaalsContact O-CB 3.26Å; Y1043-L1047 WeakPolarHBondContact O-CB 3.15Å; Y1043-L1047 VanDerWaalsContact O-CG 3.23Å; Y1043-L1047 WeakPolarHBondContact O-CG 3.08Å; Y1043-L1047 PolarHBondContact O-N 3.48Å
1044I76.7Confident74.8Confident2 Ų267.5 Ų67.51%0.0133%0.334CS..Hα-helixtrans-58.2-39.4177.1-77.1169.2000110.9I1029 V1040 Y1050 E1067 V1071 K1074I1029-I1044 HydrophobicContact CG2-CG1 4.49Å; V1040-I1044 HydrophobicContact CG1-CD1 3.63Å; V1040-I1044 HydrophobicContact CG1-CG1 4.41Å; V1040-I1044 WeakPolarHBondContact O-CB 3.2Å; V1040-I1044 VanDerWaalsContact O-CG1 3.29Å; V1040-I1044 WeakPolarHBondContact O-CG1 3.32Å; V1040-I1044 PolarHBondContact O-N 3.13Å; I1044-Y1050 WeakPolarHBondContact CG2-OH 3.43Å; I1044-Y1050 PolarHBondContact O-OH 3.29Å; I1044-Y1050 VanDerWaalsContact O-OH 3.05Å; I1044-E1067 HydrophobicContact CD1-CB 3.69Å; I1044-E1067 HydrophobicContact CD1-CG 4.23Å; I1044-V1071 HydrophobicContact CB-CG2 4.37Å; I1044-V1071 HydrophobicContact CD1-CG2 3.76Å; I1044-V1071 HydrophobicContact CG1-CG2 3.89Å; I1044-V1071 HydrophobicContact CG2-CG2 3.59Å; I1044-K1074 PolarHBondContact O-NZ 3.05Å
1045S74.4Confident75.2Confident73 Ų7358.9 Ų58.951%0.5130%0.297SS..Hα-helixtrans-69.7-39.5178.475.90000113M1041 E1042 Y1043 K1074M1041-S1045 WeakPolarHBondContact O-CB 3.38Å; M1041-S1045 PolarHBondContact O-N 3.14Å; M1041-S1045 PolarHBondContact O-OG 3.49Å; E1042-S1045 PolarHBondContact O-N 3.2Å; E1042-S1045 PolarHBondContact O-OG 3.36Å; Y1043-S1045 PolarHBondContact O-N 3.18Å; S1045-K1074 PolarHBondContact O-NZ 2.92Å
1046R74.8Confident75.3Confident151 Ų15156.8 Ų56.857%0.5728%0.28SS*.Hα-helixtrans-87-25.5-174.7-72.5-171.4179.1158.413.8114.9E1042 Y1043E1042-R1046 WeakPolarHBondContact O-CG 3.35Å; E1042-R1046 PolarHBondContact O-N 3.09Å; E1042-R1046 VanDerWaalsContact O-N 3.08Å; E1042-R1046 IonicContact OE1-CZ 2.61Å; E1042-R1046 IonicContact OE1-NE 3.68Å; E1042-R1046 IonicContact OE1-NH1 3.09Å; E1042-R1046 PolarHBondContact OE1-NH1 2.81Å; E1042-R1046 IonicContact OE1-NH2 2.63Å; E1042-R1046 PolarHBondContact OE1-NH2 2.98Å; Y1043-R1046 PolarHBondContact O-N 2.92Å
1047L76.5Confident75.5Confident8 Ų857.5 Ų57.54%0.04229%0.288CS..  trans-97.1141.3-176.7-58.6175.1000110.5V1012 L1013 Q1025 L1028 I1029 Y1043 Y1050 K1074V1012-L1047 HydrophobicContact CG1-CD1 4.26Å; V1012-L1047 HydrophobicContact CG1-CD2 3.51Å; L1013-L1047 HydrophobicContact CD2-CD2 4.19Å; Q1025-L1047 HydrophobicContact CB-CD1 4.27Å; Q1025-L1047 HydrophobicContact CG-CD1 4.31Å; Q1025-L1047 HydrophobicContact CG-CD2 4.28Å; L1028-L1047 HydrophobicContact CD2-CD1 4.15Å; I1029-L1047 HydrophobicContact CD1-CD1 4.12Å; I1029-L1047 HydrophobicContact CG1-CD1 4.19Å; Y1043-L1047 VanDerWaalsContact O-CB 3.26Å; Y1043-L1047 WeakPolarHBondContact O-CB 3.15Å; Y1043-L1047 VanDerWaalsContact O-CG 3.23Å; Y1043-L1047 WeakPolarHBondContact O-CG 3.08Å; Y1043-L1047 PolarHBondContact O-N 3.48Å; L1047-Y1050 HydrophobicContact CB-CD1 3.68Å; L1047-Y1050 HydrophobicContact CB-CE1 3.8Å; L1047-Y1050 WeakPolarHBondContact O-CE1 3.43Å; L1047-K1074 PolarHBondContact O-NZ 2.84Å
1048D68.7Low75.7Confident96 Ų9653.3 Ų53.351%0.51328%0.277SS..  trans-120.9-15.7-173.2-66-25.3000114K1074 F1075D1048-K1074 WeakPolarHBondContact OD1-CE 3.08Å; D1048-K1074 IonicContact OD1-NZ 4Å; D1048-K1074 PolarHBondContact OD1-NZ 3.26Å; D1048-F1075 WeakPolarHBondContact O-CE1 2.94Å; D1048-F1075 WeakPolarHBondContact O-CZ 3.45Å
1049N72.2Confident75.7Confident66 Ų6647.8 Ų47.835%0.35324%0.243SC..SBendtrans-114.534.4-167.9-80.7-12.7000113.1R1022R1022-N1049 WeakPolarHBondContact CA-O 3.36Å; R1022-N1049 WeakPolarHBondContact CB-O 3.32Å; R1022-N1049 WeakPolarHBondContact CG-O 3.4Å
1050Y76.8Confident75.8Confident3 Ų344.6 Ų44.61%0.01223%0.234CC..SBendtrans-103.7166-179.459.4-106.4000113.2Q1025 N1026 I1029 I1044 L1047 A1052 I1055 V1071 F1075Q1025-Y1050 VanDerWaalsContact OE1-N 3.13Å; N1026-Y1050 VanDerWaalsContact OD1-CA 3.32Å; N1026-Y1050 WeakPolarHBondContact OD1-CA 3.36Å; N1026-Y1050 WeakPolarHBondContact OD1-CB 3.29Å; I1029-Y1050 HydrophobicContact CD1-CD1 3.54Å; I1029-Y1050 HydrophobicContact CD1-CD2 4.16Å; I1029-Y1050 HydrophobicContact CD1-CE1 3.85Å; I1029-Y1050 HydrophobicContact CD1-CE2 4.44Å; I1029-Y1050 HydrophobicContact CD1-CG 3.7Å; I1044-Y1050 WeakPolarHBondContact CG2-OH 3.43Å; I1044-Y1050 PolarHBondContact O-OH 3.29Å; I1044-Y1050 VanDerWaalsContact O-OH 3.05Å; L1047-Y1050 HydrophobicContact CB-CD1 3.68Å; L1047-Y1050 HydrophobicContact CB-CE1 3.8Å; L1047-Y1050 WeakPolarHBondContact O-CE1 3.43Å; Y1050-A1052 PolarHBondContact O-N 3.3Å; Y1050-A1052 VanDerWaalsContact O-N 3.15Å; Y1050-I1055 HydrophobicContact CD2-CD1 3.3Å; Y1050-I1055 HydrophobicContact CD2-CG1 4.49Å; Y1050-I1055 HydrophobicContact CE2-CD1 4.19Å; Y1050-I1055 HydrophobicContact CG-CD1 3.63Å; Y1050-V1071 HydrophobicContact CE2-CB 4.46Å; Y1050-V1071 HydrophobicContact CE2-CG1 3.82Å; Y1050-V1071 HydrophobicContact CE2-CG2 3.93Å; Y1050-F1075 AromaticContact CD2-CE2 3.9Å; Y1050-F1075 HydrophobicContact CD2-CE2 3.9Å; Y1050-F1075 HydrophobicContact CD2-CZ 4.09Å; Y1050-F1075 HydrophobicContact CE1-CE2 4.34Å; Y1050-F1075 HydrophobicContact CE2-CD2 4.37Å; Y1050-F1075 AromaticContact CE2-CE2 3.43Å; Y1050-F1075 HydrophobicContact CE2-CE2 3.43Å; Y1050-F1075 VanDerWaalsContact CE2-CE2 3.43Å; Y1050-F1075 HydrophobicContact CE2-CZ 4.06Å; Y1050-F1075 HydrophobicContact CG-CZ 4.37Å; Y1050-F1075 AromaticContact CZ-CE2 3.66Å; Y1050-F1075 WeakPolarHBondContact O-CZ 3.4Å
1051D77.5Confident75.8Confident30 Ų3049.4 Ų49.416%0.1627%0.267CS..  trans-77.199.4176.5-160.8-30.8000111.6R1022 N1026 L1053 D1054 I1055R1022-D1051 IonicContact CZ-OD2 3.94Å; R1022-D1051 IonicContact NH2-OD1 3.72Å; R1022-D1051 PolarHBondContact NH2-OD1 2.88Å; R1022-D1051 IonicContact NH2-OD2 3.8Å; R1022-D1051 PolarHBondContact NH2-OD2 3.2Å; N1026-D1051 PolarHBondContact OD1-N 3.39Å; D1051-L1053 VanDerWaalsContact C-N 3.31Å; D1051-L1053 PolarHBondContact O-N 3.48Å; D1051-L1053 PolarHBondContact OD1-N 2.62Å; D1051-D1054 HydrophobicContact CB-CB 4.16Å; D1051-D1054 PolarHBondContact O-N 3.16Å; D1051-D1054 PolarHBondContact OD1-N 2.7Å; D1051-I1055 VanDerWaalsContact O-CB 3.32Å; D1051-I1055 WeakPolarHBondContact O-CB 3.5Å; D1051-I1055 WeakPolarHBondContact O-CD1 3.26Å; D1051-I1055 WeakPolarHBondContact O-CG1 3.23Å; D1051-I1055 PolarHBondContact O-N 3.08Å
1052A72.4Confident75.5Confident6 Ų646.7 Ų46.75%0.0526%0.256CS..Hα-helixtrans-58.3-39.4-17800000113.4Y1050 A1056 V1071 F1075 M1077Y1050-A1052 PolarHBondContact O-N 3.3Å; Y1050-A1052 VanDerWaalsContact O-N 3.15Å; A1052-A1056 WeakPolarHBondContact O-CB 3.49Å; A1052-A1056 PolarHBondContact O-N 3.44Å; A1052-V1071 HydrophobicContact CB-CG1 3.76Å; A1052-V1071 WeakPolarHBondContact O-CG1 3.37Å; A1052-F1075 HydrophobicContact CB-CB 3.79Å; A1052-F1075 HydrophobicContact CB-CD1 4.15Å; A1052-F1075 HydrophobicContact CB-CD2 3.45Å; A1052-F1075 VanDerWaalsContact CB-CD2 3.45Å; A1052-F1075 HydrophobicContact CB-CE2 4Å; A1052-F1075 HydrophobicContact CB-CG 3.53Å; A1052-M1077 HydrophobicContact CB-SD 4.46Å
1053L76.7Confident75.4Confident87 Ų8745.4 Ų45.446%0.45526%0.26SS..Hα-helixtrans-70.9-48-177.1-76.2172.1000111.4D1051 S1057 F1072 M1077D1051-L1053 VanDerWaalsContact C-N 3.31Å; D1051-L1053 PolarHBondContact O-N 3.48Å; D1051-L1053 PolarHBondContact OD1-N 2.62Å; L1053-S1057 VanDerWaalsContact O-CB 3.29Å; L1053-S1057 WeakPolarHBondContact O-CB 3.4Å; L1053-S1057 PolarHBondContact O-N 2.98Å; L1053-S1057 PolarHBondContact O-OG 3.2Å; L1053-S1057 VanDerWaalsContact O-OG 3.06Å; L1053-F1072 HydrophobicContact CD2-CE1 3.97Å; L1053-M1077 HydrophobicContact CD1-CE 3.99Å; L1053-M1077 HydrophobicContact CD1-SD 4.47Å; L1053-M1077 HydrophobicContact CD2-CE 3.29Å; L1053-M1077 HydrophobicContact CD2-SD 3.77Å; L1053-M1077 HydrophobicContact CG-CE 3.71Å; L1053-M1077 HydrophobicContact CG-SD 3.79Å
1054D77.6Confident75.5Confident90 Ų9046.2 Ų46.248%0.48126%0.264SS..Hα-helixtrans-69.1-44.7-177.3-75.1-8.1000110.9D1051 S1057 I1058D1051-D1054 HydrophobicContact CB-CB 4.16Å; D1051-D1054 PolarHBondContact O-N 3.16Å; D1051-D1054 PolarHBondContact OD1-N 2.7Å; D1054-S1057 PolarHBondContact O-OG 3.27Å; D1054-I1058 WeakPolarHBondContact O-CB 3.42Å; D1054-I1058 WeakPolarHBondContact O-CD1 3.41Å; D1054-I1058 VanDerWaalsContact O-CG1 3.22Å; D1054-I1058 WeakPolarHBondContact O-CG1 3.33Å; D1054-I1058 PolarHBondContact O-N 3.13Å; D1054-I1058 VanDerWaalsContact O-N 3.07Å
1055I80.1Confident75.5Confident1 Ų150 Ų501%0.00528%0.279CS..Hα-helixtrans-67-44.6179.2-73.1161.1000111.1N1026 I1029 Y1050 D1051 I1058 A1059 V1071N1026-I1055 WeakPolarHBondContact OD1-CD1 3.42Å; I1029-I1055 HydrophobicContact CB-CD1 4.28Å; I1029-I1055 HydrophobicContact CD1-CD1 3.72Å; I1029-I1055 HydrophobicContact CG2-CD1 4.4Å; I1029-I1055 HydrophobicContact CG2-CG1 4.33Å; I1029-I1055 HydrophobicContact CG2-CG2 3.59Å; Y1050-I1055 HydrophobicContact CD2-CD1 3.3Å; Y1050-I1055 HydrophobicContact CD2-CG1 4.49Å; Y1050-I1055 HydrophobicContact CE2-CD1 4.19Å; Y1050-I1055 HydrophobicContact CG-CD1 3.63Å; D1051-I1055 VanDerWaalsContact O-CB 3.32Å; D1051-I1055 WeakPolarHBondContact O-CB 3.5Å; D1051-I1055 WeakPolarHBondContact O-CD1 3.26Å; D1051-I1055 WeakPolarHBondContact O-CG1 3.23Å; D1051-I1055 PolarHBondContact O-N 3.08Å; I1055-I1058 PolarHBondContact O-N 2.68Å; I1055-A1059 VanDerWaalsContact O-CB 3.28Å; I1055-A1059 WeakPolarHBondContact O-CB 3.43Å; I1055-A1059 PolarHBondContact O-N 3.24Å; I1055-V1071 HydrophobicContact CG2-CG2 4.33Å
1056A72.9Confident75.6Confident0 Ų050.3 Ų50.30%027%0.272CS..Hα-helixtrans-68.1-37.9-179.100000111.9A1052 I1058 A1059 V1060 A1068 V1071 F1072A1052-A1056 WeakPolarHBondContact O-CB 3.49Å; A1052-A1056 PolarHBondContact O-N 3.44Å; A1056-I1058 VanDerWaalsContact C-N 3.33Å; A1056-I1058 PolarHBondContact O-N 2.98Å; A1056-A1059 PolarHBondContact O-N 3.09Å; A1056-V1060 VanDerWaalsContact O-CG2 3.27Å; A1056-V1060 WeakPolarHBondContact O-CG2 3.02Å; A1056-V1060 PolarHBondContact O-N 3.39Å; A1056-A1068 HydrophobicContact CB-CB 4.29Å; A1056-V1071 HydrophobicContact CB-CB 4.17Å; A1056-V1071 HydrophobicContact CB-CG1 3.88Å; A1056-F1072 HydrophobicContact CB-CD1 4.01Å; A1056-F1072 HydrophobicContact CB-CD2 3.9Å; A1056-F1072 HydrophobicContact CB-CE1 3.54Å; A1056-F1072 HydrophobicContact CB-CE2 3.43Å; A1056-F1072 VanDerWaalsContact CB-CE2 3.43Å; A1056-F1072 HydrophobicContact CB-CG 4.17Å; A1056-F1072 HydrophobicContact CB-CZ 3.24Å
1057S76.5Confident75.8Confident64 Ų6444.8 Ų44.845%0.44825%0.253SS..Hα-helixtrans-64.2-38.5174.767.40000112.3L1053 D1054 V1060 S1061L1053-S1057 VanDerWaalsContact O-CB 3.29Å; L1053-S1057 WeakPolarHBondContact O-CB 3.4Å; L1053-S1057 PolarHBondContact O-N 2.98Å; L1053-S1057 PolarHBondContact O-OG 3.2Å; L1053-S1057 VanDerWaalsContact O-OG 3.06Å; D1054-S1057 PolarHBondContact O-OG 3.27Å; S1057-V1060 PolarHBondContact O-N 2.83Å; S1057-S1061 PolarHBondContact O-N 3.45Å
1058I77.2Confident75.8Confident64 Ų6444.4 Ų44.433%0.32825%0.251SS..Hα-helixtrans-72-36.6176.3-66.7166.8000110.9L1030 I1033 D1054 I1055 A1056 S1061 S1062L1030-I1058 HydrophobicContact CD2-CB 4.06Å; L1030-I1058 HydrophobicContact CD2-CD1 3.42Å; L1030-I1058 VanDerWaalsContact CD2-CD1 3.42Å; L1030-I1058 HydrophobicContact CD2-CG1 4.31Å; L1030-I1058 HydrophobicContact CD2-CG2 3.74Å; I1033-I1058 HydrophobicContact CD1-CG2 4.41Å; I1033-I1058 HydrophobicContact CG2-CG2 4.49Å; D1054-I1058 WeakPolarHBondContact O-CB 3.42Å; D1054-I1058 WeakPolarHBondContact O-CD1 3.41Å; D1054-I1058 VanDerWaalsContact O-CG1 3.22Å; D1054-I1058 WeakPolarHBondContact O-CG1 3.33Å; D1054-I1058 PolarHBondContact O-N 3.13Å; D1054-I1058 VanDerWaalsContact O-N 3.07Å; I1055-I1058 PolarHBondContact O-N 2.68Å; A1056-I1058 VanDerWaalsContact C-N 3.33Å; A1056-I1058 PolarHBondContact O-N 2.98Å; I1058-S1061 WeakPolarHBondContact CA-OG 3.38Å; I1058-S1061 PolarHBondContact O-N 3.26Å; I1058-S1061 PolarHBondContact O-OG 3.16Å; I1058-S1062 PolarHBondContact O-N 2.62Å; I1058-S1062 PolarHBondContact O-OG 2.98Å
1059A76.8Confident76.3Confident0 Ų040.4 Ų40.40%023%0.229CC..Hα-helixtrans-62.2-43.1171.600000111.7I1055 A1056 S1061 S1062 A1063 L1064 A1068I1055-A1059 VanDerWaalsContact O-CB 3.28Å; I1055-A1059 WeakPolarHBondContact O-CB 3.43Å; I1055-A1059 PolarHBondContact O-N 3.24Å; A1056-A1059 PolarHBondContact O-N 3.09Å; A1059-S1061 PolarHBondContact O-N 3.48Å; A1059-S1062 WeakPolarHBondContact CA-OG 3.44Å; A1059-S1062 CarbonylContact O-C 3.5Å; A1059-S1062 PolarHBondContact O-N 3.3Å; A1059-S1062 VanDerWaalsContact O-N 3.15Å; A1059-S1062 PolarHBondContact O-OG 3.33Å; A1059-A1063 PolarHBondContact O-N 3.05Å; A1059-A1063 VanDerWaalsContact O-N 3.15Å; A1059-L1064 HydrophobicContact CB-CB 4.24Å; A1059-L1064 PolarHBondContact O-N 3.15Å; A1059-A1068 HydrophobicContact CB-CB 4.01Å
1060V75.9Confident76.6Confident30 Ų3039 Ų3918%0.18222%0.223CC..Hα-helixtrans-60.2-44.4172.9170.20000111.1A1056 S1057 S1062 A1063 Y1065 A1068 V1084 H1088A1056-V1060 VanDerWaalsContact O-CG2 3.27Å; A1056-V1060 WeakPolarHBondContact O-CG2 3.02Å; A1056-V1060 PolarHBondContact O-N 3.39Å; S1057-V1060 PolarHBondContact O-N 2.83Å; V1060-S1062 PolarHBondContact O-N 3.09Å; V1060-A1063 PolarHBondContact O-N 3.18Å; V1060-A1063 VanDerWaalsContact O-N 3.17Å; V1060-Y1065 HydrophobicContact CG1-CE1 4.18Å; V1060-A1068 HydrophobicContact CG2-CB 3.66Å; V1060-V1084 HydrophobicContact CG2-CG2 4.26Å; V1060-H1088 WeakPolarHBondContact CG1-NE2 3.34Å
1061S75.9Confident76.7Confident100 Ų10038.9 Ų38.970%0.69922%0.223SC*.Hα-helixtrans-64.6-25.1178.379.20000113.6S1057 I1058 A1059S1057-S1061 PolarHBondContact O-N 3.45Å; I1058-S1061 WeakPolarHBondContact CA-OG 3.38Å; I1058-S1061 PolarHBondContact O-N 3.26Å; I1058-S1061 PolarHBondContact O-OG 3.16Å; A1059-S1061 PolarHBondContact O-N 3.48Å
1062S70.6Confident76.7Confident22 Ų2238.1 Ų38.115%0.15422%0.218CC..THydrogen-bonded Turntrans-98.28.8178.8550000113.8I1033 I1058 A1059 V1060I1033-S1062 WeakPolarHBondContact CG2-OG 3.47Å; I1058-S1062 PolarHBondContact O-N 2.62Å; I1058-S1062 PolarHBondContact O-OG 2.98Å; A1059-S1062 WeakPolarHBondContact CA-OG 3.44Å; A1059-S1062 CarbonylContact O-C 3.5Å; A1059-S1062 PolarHBondContact O-N 3.3Å; A1059-S1062 VanDerWaalsContact O-N 3.15Å; A1059-S1062 PolarHBondContact O-OG 3.33Å; V1060-S1062 PolarHBondContact O-N 3.09Å
1063A76.1Confident76.8Confident57 Ų5742.3 Ų42.347%0.47124%0.236SC..THydrogen-bonded Turntrans65.127179.800000115.7A1059 V1060 Y1065A1059-A1063 PolarHBondContact O-N 3.05Å; A1059-A1063 VanDerWaalsContact O-N 3.15Å; V1060-A1063 PolarHBondContact O-N 3.18Å; V1060-A1063 VanDerWaalsContact O-N 3.17Å; A1063-Y1065 HydrophobicContact CB-CE2 3.95Å
1064L78.9Confident76.7Confident21 Ų2141.8 Ų41.811%0.1123%0.23CC..  trans-97.973.8174-66.1173.9000109.9I1033 V1040 A1059 E1067 A1068I1033-L1064 HydrophobicContact CG1-CD1 4.17Å; I1033-L1064 HydrophobicContact CG2-CD1 4.41Å; V1040-L1064 HydrophobicContact CG1-CD1 4.29Å; V1040-L1064 HydrophobicContact CG2-CD1 4.45Å; A1059-L1064 HydrophobicContact CB-CB 4.24Å; A1059-L1064 PolarHBondContact O-N 3.15Å; L1064-E1067 WeakPolarHBondContact CA-OE2 3.42Å; L1064-E1067 HydrophobicContact CB-CB 4.12Å; L1064-E1067 HydrophobicContact CB-CG 4.24Å; L1064-E1067 WeakPolarHBondContact CB-OE2 3.41Å; L1064-A1068 WeakPolarHBondContact O-CB 3.41Å; L1064-A1068 PolarHBondContact O-N 2.68Å; L1064-A1068 VanDerWaalsContact O-N 3.09Å
1065Y78Confident76.5Confident82 Ų8240.6 Ų40.632%0.32222%0.221SC..Hα-helixtrans-78.8-31.6-168.6-55.3-64000114.4V1060 A1063 F1069 H1088V1060-Y1065 HydrophobicContact CG1-CE1 4.18Å; A1063-Y1065 HydrophobicContact CB-CE2 3.95Å; Y1065-F1069 WeakPolarHBondContact O-CB 3.19Å; Y1065-F1069 PolarHBondContact O-N 3.45Å; Y1065-H1088 HydrophobicContact CD1-CB 3.57Å; Y1065-H1088 AromaticContact CD1-CG 3.91Å; Y1065-H1088 HydrophobicContact CE1-CB 3.82Å; Y1065-H1088 AromaticContact CE1-CG 3.79Å; Y1065-H1088 AromaticContact CE1-ND1 3.85Å; Y1065-H1088 HydrophobicContact CG-CB 4.08Å
1066E76.1Confident76.1Confident78 Ų7846.7 Ų46.736%0.36425%0.253SS..Hα-helixtrans-74.2-35.3176.5-71.2-75.9162.600110.7F1069 T1070 R1094E1066-F1069 PolarHBondContact O-N 2.96Å; E1066-T1070 WeakPolarHBondContact O-CG2 3.02Å; E1066-T1070 PolarHBondContact O-N 2.91Å; E1066-T1070 PolarHBondContact O-OG1 3.31Å; E1066-R1094 IonicContact OE1-NH1 2.67Å; E1066-R1094 PolarHBondContact OE1-NH1 3.05Å; E1066-R1094 IonicContact OE2-CZ 3.39Å; E1066-R1094 IonicContact OE2-NH1 3.85Å; E1066-R1094 PolarHBondContact OE2-NH1 2.86Å; E1066-R1094 VanDerWaalsContact OE2-NH1 3.09Å; E1066-R1094 IonicContact OE2-NH2 2.87Å
1067E79.4Confident76.1Confident35 Ų3549.7 Ų49.716%0.16427%0.268CS..Hα-helixtrans-63.7-46.1171.3-64.779.4178.700110.7V1040 M1041 I1044 L1064 F1069 T1070 V1071V1040-E1067 HydrophobicContact CG1-CG 4.26Å; M1041-E1067 HydrophobicContact CB-CG 4.31Å; M1041-E1067 HydrophobicContact SD-CG 3.86Å; I1044-E1067 HydrophobicContact CD1-CB 3.69Å; I1044-E1067 HydrophobicContact CD1-CG 4.23Å; L1064-E1067 WeakPolarHBondContact CA-OE2 3.42Å; L1064-E1067 HydrophobicContact CB-CB 4.12Å; L1064-E1067 HydrophobicContact CB-CG 4.24Å; L1064-E1067 WeakPolarHBondContact CB-OE2 3.41Å; E1067-F1069 PolarHBondContact O-N 3.48Å; E1067-T1070 WeakPolarHBondContact CA-OG1 3.36Å; E1067-T1070 PolarHBondContact O-N 3.48Å; E1067-T1070 PolarHBondContact O-OG1 2.92Å; E1067-V1071 VanDerWaalsContact O-CG2 3.25Å; E1067-V1071 WeakPolarHBondContact O-CG2 3.49Å; E1067-V1071 PolarHBondContact O-N 2.98Å
1068A76.5Confident76Confident0 Ų047.4 Ų47.40%025%0.251CS..Hα-helixtrans-62.9-41175.400000112.6A1056 A1059 V1060 L1064 V1071 F1072A1056-A1068 HydrophobicContact CB-CB 4.29Å; A1059-A1068 HydrophobicContact CB-CB 4.01Å; V1060-A1068 HydrophobicContact CG2-CB 3.66Å; L1064-A1068 WeakPolarHBondContact O-CB 3.41Å; L1064-A1068 PolarHBondContact O-N 2.68Å; L1064-A1068 VanDerWaalsContact O-N 3.09Å; A1068-V1071 PolarHBondContact O-N 3.48Å; A1068-F1072 WeakPolarHBondContact O-CD2 3.43Å; A1068-F1072 PolarHBondContact O-N 3.38Å
1069F78.9Confident75.9Confident13 Ų1345.9 Ų45.96%0.05725%0.248CC..Hα-helixtrans-63.7-45.2175.9173.9-105.3000111.8Y1065 E1066 E1067 V1071 F1072 H1073 A1081 V1084 L1085 I1089 F1098Y1065-F1069 WeakPolarHBondContact O-CB 3.19Å; Y1065-F1069 PolarHBondContact O-N 3.45Å; E1066-F1069 PolarHBondContact O-N 2.96Å; E1067-F1069 PolarHBondContact O-N 3.48Å; F1069-V1071 VanDerWaalsContact C-N 3.35Å; F1069-V1071 PolarHBondContact O-N 3.06Å; F1069-F1072 PolarHBondContact O-N 3.34Å; F1069-H1073 HydrophobicContact CZ-CB 4.48Å; F1069-H1073 VanDerWaalsContact O-CB 3.27Å; F1069-H1073 WeakPolarHBondContact O-CB 3.05Å; F1069-H1073 PolarHBondContact O-N 3.06Å; F1069-A1081 HydrophobicContact CD2-CB 4.33Å; F1069-A1081 HydrophobicContact CE2-CB 4.18Å; F1069-V1084 HydrophobicContact CB-CG1 4.34Å; F1069-L1085 HydrophobicContact CD2-CD1 3.97Å; F1069-L1085 HydrophobicContact CD2-CD2 3.86Å; F1069-L1085 HydrophobicContact CD2-CG 3.56Å; F1069-L1085 HydrophobicContact CE2-CD1 3.28Å; F1069-L1085 HydrophobicContact CE2-CD2 3.87Å; F1069-L1085 HydrophobicContact CE2-CG 3.44Å; F1069-L1085 VanDerWaalsContact CE2-CG 3.44Å; F1069-L1085 HydrophobicContact CG-CD2 4.24Å; F1069-L1085 HydrophobicContact CG-CG 4.41Å; F1069-L1085 HydrophobicContact CZ-CD1 3.81Å; F1069-L1085 HydrophobicContact CZ-CD2 4.24Å; F1069-L1085 HydrophobicContact CZ-CG 4.21Å; F1069-I1089 HydrophobicContact CB-CD1 4.24Å; F1069-F1098 HydrophobicContact CE2-CD2 4.42Å; F1069-F1098 HydrophobicContact CE2-CE2 4.39Å; F1069-F1098 HydrophobicContact CZ-CD2 4.17Å; F1069-F1098 HydrophobicContact CZ-CE2 4.3Å
1070T78.1Confident75.8Confident37 Ų3747.1 Ų47.123%0.22726%0.257CS..Hα-helixtrans-66.6-3517947.90000112.8M1041 E1066 E1067 H1073 K1074M1041-T1070 HydrophobicContact CE-CG2 3.72Å; E1066-T1070 WeakPolarHBondContact O-CG2 3.02Å; E1066-T1070 PolarHBondContact O-N 2.91Å; E1066-T1070 PolarHBondContact O-OG1 3.31Å; E1067-T1070 WeakPolarHBondContact CA-OG1 3.36Å; E1067-T1070 PolarHBondContact O-N 3.48Å; E1067-T1070 PolarHBondContact O-OG1 2.92Å; T1070-H1073 PolarHBondContact O-N 2.61Å; T1070-K1074 VanDerWaalsContact O-CB 3.24Å; T1070-K1074 WeakPolarHBondContact O-CB 3.25Å; T1070-K1074 PolarHBondContact O-N 3.17Å
1071V77.8Confident75.6Confident0 Ų045.7 Ų45.70%025%0.248CC..Hα-helixtrans-60.5-54.1170.2170.10000110.9I1044 Y1050 A1052 I1055 A1056 E1067 A1068 F1069 H1073 K1074 F1075I1044-V1071 HydrophobicContact CB-CG2 4.37Å; I1044-V1071 HydrophobicContact CD1-CG2 3.76Å; I1044-V1071 HydrophobicContact CG1-CG2 3.89Å; I1044-V1071 HydrophobicContact CG2-CG2 3.59Å; Y1050-V1071 HydrophobicContact CE2-CB 4.46Å; Y1050-V1071 HydrophobicContact CE2-CG1 3.82Å; Y1050-V1071 HydrophobicContact CE2-CG2 3.93Å; A1052-V1071 HydrophobicContact CB-CG1 3.76Å; A1052-V1071 WeakPolarHBondContact O-CG1 3.37Å; I1055-V1071 HydrophobicContact CG2-CG2 4.33Å; A1056-V1071 HydrophobicContact CB-CB 4.17Å; A1056-V1071 HydrophobicContact CB-CG1 3.88Å; E1067-V1071 VanDerWaalsContact O-CG2 3.25Å; E1067-V1071 WeakPolarHBondContact O-CG2 3.49Å; E1067-V1071 PolarHBondContact O-N 2.98Å; A1068-V1071 PolarHBondContact O-N 3.48Å; F1069-V1071 VanDerWaalsContact C-N 3.35Å; F1069-V1071 PolarHBondContact O-N 3.06Å; V1071-H1073 VanDerWaalsContact C-N 3.27Å; V1071-H1073 PolarHBondContact O-N 2.72Å; V1071-K1074 PolarHBondContact O-N 2.9Å; V1071-F1075 HydrophobicContact CG1-CD2 4.45Å; V1071-F1075 WeakPolarHBondContact O-CD2 3.16Å; V1071-F1075 PolarHBondContact O-N 2.96Å
1072F77.8Confident75.6Confident14 Ų1440.9 Ų40.96%0.06122%0.215CC..Hα-helixtrans-63.3-34.4-179.6-70.7-51.3000112.9L1053 A1056 A1068 F1069 M1077 S1080 A1081 V1084L1053-F1072 HydrophobicContact CD2-CE1 3.97Å; A1056-F1072 HydrophobicContact CB-CD1 4.01Å; A1056-F1072 HydrophobicContact CB-CD2 3.9Å; A1056-F1072 HydrophobicContact CB-CE1 3.54Å; A1056-F1072 HydrophobicContact CB-CE2 3.43Å; A1056-F1072 VanDerWaalsContact CB-CE2 3.43Å; A1056-F1072 HydrophobicContact CB-CG 4.17Å; A1056-F1072 HydrophobicContact CB-CZ 3.24Å; A1068-F1072 WeakPolarHBondContact O-CD2 3.43Å; A1068-F1072 PolarHBondContact O-N 3.38Å; F1069-F1072 PolarHBondContact O-N 3.34Å; F1072-M1077 HydrophobicContact CD1-CB 4.21Å; F1072-M1077 PolarHBondContact O-N 3.19Å; F1072-M1077 VanDerWaalsContact O-N 3.09Å; F1072-S1080 VanDerWaalsContact CD1-OG 3.3Å; F1072-S1080 WeakPolarHBondContact CD1-OG 3.48Å; F1072-A1081 HydrophobicContact CB-CB 3.66Å; F1072-V1084 HydrophobicContact CD2-CG2 3.79Å; F1072-V1084 HydrophobicContact CE2-CG2 3.62Å
1073H74.8Confident75.9Confident94 Ų9443.8 Ų43.844%0.43523%0.226SC..Hα-helixtrans-67.8-38.4175.9-175.333.8000112.5F1069 T1070 V1071 F1075 F1098F1069-H1073 HydrophobicContact CZ-CB 4.48Å; F1069-H1073 VanDerWaalsContact O-CB 3.27Å; F1069-H1073 WeakPolarHBondContact O-CB 3.05Å; F1069-H1073 PolarHBondContact O-N 3.06Å; T1070-H1073 PolarHBondContact O-N 2.61Å; V1071-H1073 VanDerWaalsContact C-N 3.27Å; V1071-H1073 PolarHBondContact O-N 2.72Å; H1073-F1075 VanDerWaalsContact C-N 3.35Å; H1073-F1075 PolarHBondContact O-N 3.46Å; H1073-F1098 AromaticContact ND1-CE2 3.59Å
1074K75.3Confident75.9Confident76 Ų7641.4 Ų41.433%0.3321%0.205SC..Hα-helixtrans-70-29.1-178.3-169.8174.5-178.6-179.60113.3I1044 S1045 L1047 D1048 T1070 V1071I1044-K1074 PolarHBondContact O-NZ 3.05Å; S1045-K1074 PolarHBondContact O-NZ 2.92Å; L1047-K1074 PolarHBondContact O-NZ 2.84Å; D1048-K1074 WeakPolarHBondContact OD1-CE 3.08Å; D1048-K1074 IonicContact OD1-NZ 4Å; D1048-K1074 PolarHBondContact OD1-NZ 3.26Å; T1070-K1074 VanDerWaalsContact O-CB 3.24Å; T1070-K1074 WeakPolarHBondContact O-CB 3.25Å; T1070-K1074 PolarHBondContact O-N 3.17Å; V1071-K1074 PolarHBondContact O-N 2.9Å
1075F73Confident75.7Confident65 Ų6540.4 Ų40.429%0.28520%0.2SC..THydrogen-bonded Turntrans-101.219.5-178.9-73.8-91.3000114D1048 Y1050 A1052 V1071 H1073 M1077D1048-F1075 WeakPolarHBondContact O-CE1 2.94Å; D1048-F1075 WeakPolarHBondContact O-CZ 3.45Å; Y1050-F1075 AromaticContact CD2-CE2 3.9Å; Y1050-F1075 HydrophobicContact CD2-CE2 3.9Å; Y1050-F1075 HydrophobicContact CD2-CZ 4.09Å; Y1050-F1075 HydrophobicContact CE1-CE2 4.34Å; Y1050-F1075 HydrophobicContact CE2-CD2 4.37Å; Y1050-F1075 AromaticContact CE2-CE2 3.43Å; Y1050-F1075 HydrophobicContact CE2-CE2 3.43Å; Y1050-F1075 VanDerWaalsContact CE2-CE2 3.43Å; Y1050-F1075 HydrophobicContact CE2-CZ 4.06Å; Y1050-F1075 HydrophobicContact CG-CZ 4.37Å; Y1050-F1075 AromaticContact CZ-CE2 3.66Å; Y1050-F1075 WeakPolarHBondContact O-CZ 3.4Å; A1052-F1075 HydrophobicContact CB-CB 3.79Å; A1052-F1075 HydrophobicContact CB-CD1 4.15Å; A1052-F1075 HydrophobicContact CB-CD2 3.45Å; A1052-F1075 VanDerWaalsContact CB-CD2 3.45Å; A1052-F1075 HydrophobicContact CB-CE2 4Å; A1052-F1075 HydrophobicContact CB-CG 3.53Å; V1071-F1075 HydrophobicContact CG1-CD2 4.45Å; V1071-F1075 WeakPolarHBondContact O-CD2 3.16Å; V1071-F1075 PolarHBondContact O-N 2.96Å; H1073-F1075 VanDerWaalsContact C-N 3.35Å; H1073-F1075 PolarHBondContact O-N 3.46Å; F1075-M1077 HydrophobicContact CB-CG 4.36Å; F1075-M1077 WeakPolarHBondContact O-CG 3.23Å; F1075-M1077 PolarHBondContact O-N 2.88Å; F1075-M1077 VanDerWaalsContact O-N 3.08Å
1076D70.8Confident75.5Confident128 Ų12837.9 Ų37.968%0.68419%0.192SC*.THydrogen-bonded Turntrans55.724.6178.7-64.4-38.5000114.7N1078D1076-N1078 VanDerWaalsContact C-N 3.29Å; D1076-N1078 PolarHBondContact O-N 3.46Å; D1076-N1078 VanDerWaalsContact O-N 3.07Å
1077M73.5Confident75.3Confident64 Ų6439.9 Ų39.932%0.31520%0.201SC..  trans-88.668.2178.2-60-164.570.300110.6A1052 L1053 F1072 F1075 A1079 S1080 A1081A1052-M1077 HydrophobicContact CB-SD 4.46Å; L1053-M1077 HydrophobicContact CD1-CE 3.99Å; L1053-M1077 HydrophobicContact CD1-SD 4.47Å; L1053-M1077 HydrophobicContact CD2-CE 3.29Å; L1053-M1077 HydrophobicContact CD2-SD 3.77Å; L1053-M1077 HydrophobicContact CG-CE 3.71Å; L1053-M1077 HydrophobicContact CG-SD 3.79Å; F1072-M1077 HydrophobicContact CD1-CB 4.21Å; F1072-M1077 PolarHBondContact O-N 3.19Å; F1072-M1077 VanDerWaalsContact O-N 3.09Å; F1075-M1077 HydrophobicContact CB-CG 4.36Å; F1075-M1077 WeakPolarHBondContact O-CG 3.23Å; F1075-M1077 PolarHBondContact O-N 2.88Å; F1075-M1077 VanDerWaalsContact O-N 3.08Å; M1077-A1079 PolarHBondContact O-N 3.07Å; M1077-S1080 WeakPolarHBondContact CB-OG 3.46Å; M1077-S1080 PolarHBondContact O-N 3.36Å; M1077-S1080 PolarHBondContact O-OG 3.32Å; M1077-S1080 VanDerWaalsContact O-OG 3.05Å; M1077-A1081 WeakPolarHBondContact O-CB 3.3Å; M1077-A1081 PolarHBondContact O-N 3.23Å
1078N75Confident74.6Confident15 Ų1541.9 Ų41.98%0.0821%0.211CC..Hα-helixtrans-64.5-34.6-166.3-62.5-37.2000114.2D1076 A1081 I1082 F1098 C1102 E1104 V1107D1076-N1078 VanDerWaalsContact C-N 3.29Å; D1076-N1078 PolarHBondContact O-N 3.46Å; D1076-N1078 VanDerWaalsContact O-N 3.07Å; N1078-A1081 PolarHBondContact O-N 3.05Å; N1078-I1082 PolarHBondContact O-N 3.37Å; N1078-F1098 HydrophobicContact CB-CE1 4.15Å; N1078-F1098 HydrophobicContact CB-CZ 4.25Å; N1078-C1102 HydrophobicContact CB-CB 4.48Å; N1078-E1104 PolarHBondContact ND2-OE1 3.22Å; N1078-V1107 HydrophobicContact CB-CG2 3.82Å
1079A73.6Confident74.3Confident33 Ų3344.2 Ų44.227%0.27322%0.222SC..Hα-helixtrans-69-40.4179.200000113.1M1077 I1082 Q1083 Q1110M1077-A1079 PolarHBondContact O-N 3.07Å; A1079-I1082 WeakPolarHBondContact O-CG2 3.47Å; A1079-Q1083 WeakPolarHBondContact O-CB 3.41Å; A1079-Q1083 PolarHBondContact O-N 3.18Å; A1079-Q1110 PolarHBondContact O-OE1 3.44Å
1080S75.5Confident73.7Confident25 Ų2545.2 Ų45.218%0.17524%0.237CC..Hα-helixtrans-76.1-33.1174.748.10000111.8F1072 M1077 Q1083 V1084F1072-S1080 VanDerWaalsContact CD1-OG 3.3Å; F1072-S1080 WeakPolarHBondContact CD1-OG 3.48Å; M1077-S1080 WeakPolarHBondContact CB-OG 3.46Å; M1077-S1080 PolarHBondContact O-N 3.36Å; M1077-S1080 PolarHBondContact O-OG 3.32Å; M1077-S1080 VanDerWaalsContact O-OG 3.05Å; S1080-Q1083 PolarHBondContact O-N 3Å; S1080-V1084 WeakPolarHBondContact O-CG2 3.48Å; S1080-V1084 PolarHBondContact O-N 3.09Å; S1080-V1084 VanDerWaalsContact O-N 3.07Å
1081A71.7Confident73.7Confident0 Ų046.8 Ų46.80%024%0.244CC..Hα-helixtrans-60.5-46.6174.200000112F1069 F1072 M1077 N1078 Q1083 V1084 L1085 F1098F1069-A1081 HydrophobicContact CD2-CB 4.33Å; F1069-A1081 HydrophobicContact CE2-CB 4.18Å; F1072-A1081 HydrophobicContact CB-CB 3.66Å; M1077-A1081 WeakPolarHBondContact O-CB 3.3Å; M1077-A1081 PolarHBondContact O-N 3.23Å; N1078-A1081 PolarHBondContact O-N 3.05Å; A1081-Q1083 VanDerWaalsContact C-N 3.32Å; A1081-V1084 PolarHBondContact O-N 3.19Å; A1081-L1085 PolarHBondContact O-N 2.93Å; A1081-F1098 HydrophobicContact CB-CE1 3.98Å; A1081-F1098 HydrophobicContact CB-CZ 3.75Å
1082I76.8Confident73.5Confident0 Ų047.7 Ų47.70%025%0.248CC..Hα-helixtrans-69.2-33.5178.4-158.4168.4000111.6N1078 A1079 V1084 L1085 I1086 A1095 F1098 A1099 V1107 Q1110 L1111N1078-I1082 PolarHBondContact O-N 3.37Å; A1079-I1082 WeakPolarHBondContact O-CG2 3.47Å; I1082-V1084 VanDerWaalsContact C-N 3.35Å; I1082-V1084 PolarHBondContact O-N 3.41Å; I1082-L1085 WeakPolarHBondContact O-CB 3.45Å; I1082-L1085 PolarHBondContact O-N 2.82Å; I1082-I1086 HydrophobicContact CD1-CD1 4.3Å; I1082-I1086 HydrophobicContact CG1-CD1 3.78Å; I1082-I1086 HydrophobicContact CG1-CG1 4.21Å; I1082-I1086 WeakPolarHBondContact O-CB 3.24Å; I1082-I1086 VanDerWaalsContact O-CG1 3.23Å; I1082-I1086 WeakPolarHBondContact O-CG1 3.42Å; I1082-I1086 PolarHBondContact O-N 3.5Å; I1082-A1095 HydrophobicContact CD1-CB 4.25Å; I1082-A1095 WeakPolarHBondContact CD1-O 3.27Å; I1082-A1095 HydrophobicContact CG1-CB 4.02Å; I1082-F1098 HydrophobicContact CB-CD1 4.1Å; I1082-F1098 HydrophobicContact CB-CE1 4.26Å; I1082-F1098 HydrophobicContact CD1-CD1 4.44Å; I1082-F1098 HydrophobicContact CG1-CD1 4.34Å; I1082-A1099 HydrophobicContact CD1-CB 4.07Å; I1082-V1107 HydrophobicContact CB-CG1 4.12Å; I1082-V1107 HydrophobicContact CD1-CG1 3.32Å; I1082-V1107 HydrophobicContact CG1-CG1 4.28Å; I1082-V1107 HydrophobicContact CG2-CG1 4.05Å; I1082-Q1110 HydrophobicContact CG2-CB 4.41Å; I1082-L1111 HydrophobicContact CD1-CB 3.98Å; I1082-L1111 HydrophobicContact CD1-CD1 4.43Å
1083Q75.8Confident73.3Confident82 Ų8252.9 Ų52.938%0.38328%0.277SS..Hα-helixtrans-61.3-42.5174.6-170.3173.97.700111.8A1079 S1080 A1081 L1085 I1086 E1087A1079-Q1083 WeakPolarHBondContact O-CB 3.41Å; A1079-Q1083 PolarHBondContact O-N 3.18Å; S1080-Q1083 PolarHBondContact O-N 3Å; A1081-Q1083 VanDerWaalsContact C-N 3.32Å; Q1083-L1085 VanDerWaalsContact C-N 3.34Å; Q1083-L1085 PolarHBondContact O-N 3.49Å; Q1083-I1086 PolarHBondContact O-N 3.08Å; Q1083-E1087 VanDerWaalsContact CG-CD 3.48Å; Q1083-E1087 HydrophobicContact CG-CG 4.12Å; Q1083-E1087 WeakPolarHBondContact CG-OE1 3.41Å; Q1083-E1087 PolarHBondContact NE2-OE1 2.86Å; Q1083-E1087 PolarHBondContact NE2-OE2 3.33Å; Q1083-E1087 WeakPolarHBondContact O-CB 3.35Å; Q1083-E1087 PolarHBondContact O-N 3.49Å
1084V76.4Confident73.3Confident8 Ų852.8 Ų52.85%0.04827%0.273CS..Hα-helixtrans-63.2-40174.41760000111.6V1060 F1069 F1072 S1080 A1081 I1082 I1086 H1088 I1089V1060-V1084 HydrophobicContact CG2-CG2 4.26Å; F1069-V1084 HydrophobicContact CB-CG1 4.34Å; F1072-V1084 HydrophobicContact CD2-CG2 3.79Å; F1072-V1084 HydrophobicContact CE2-CG2 3.62Å; S1080-V1084 WeakPolarHBondContact O-CG2 3.48Å; S1080-V1084 PolarHBondContact O-N 3.09Å; S1080-V1084 VanDerWaalsContact O-N 3.07Å; A1081-V1084 PolarHBondContact O-N 3.19Å; I1082-V1084 VanDerWaalsContact C-N 3.35Å; I1082-V1084 PolarHBondContact O-N 3.41Å; V1084-I1086 VanDerWaalsContact C-N 3.35Å; V1084-I1086 PolarHBondContact O-N 3.32Å; V1084-H1088 HydrophobicContact CG1-CB 4.44Å; V1084-H1088 WeakPolarHBondContact O-CB 3.43Å; V1084-H1088 PolarHBondContact O-N 3.29Å; V1084-H1088 VanDerWaalsContact O-N 3.09Å; V1084-I1089 HydrophobicContact CG1-CD1 4.34Å; V1084-I1089 PolarHBondContact O-N 3.49Å
1085L75.1Confident73.3Confident0 Ų049.2 Ų49.20%026%0.257CS..Iπ-helixtrans-63.7-39.2175.2-74.8174.3000112.8F1069 A1081 I1082 Q1083 I1089 G1090 N1091 R1094 A1095 F1098F1069-L1085 HydrophobicContact CD2-CD1 3.97Å; F1069-L1085 HydrophobicContact CD2-CD2 3.86Å; F1069-L1085 HydrophobicContact CD2-CG 3.56Å; F1069-L1085 HydrophobicContact CE2-CD1 3.28Å; F1069-L1085 HydrophobicContact CE2-CD2 3.87Å; F1069-L1085 HydrophobicContact CE2-CG 3.44Å; F1069-L1085 VanDerWaalsContact CE2-CG 3.44Å; F1069-L1085 HydrophobicContact CG-CD2 4.24Å; F1069-L1085 HydrophobicContact CG-CG 4.41Å; F1069-L1085 HydrophobicContact CZ-CD1 3.81Å; F1069-L1085 HydrophobicContact CZ-CD2 4.24Å; F1069-L1085 HydrophobicContact CZ-CG 4.21Å; A1081-L1085 PolarHBondContact O-N 2.93Å; I1082-L1085 WeakPolarHBondContact O-CB 3.45Å; I1082-L1085 PolarHBondContact O-N 2.82Å; Q1083-L1085 VanDerWaalsContact C-N 3.34Å; Q1083-L1085 PolarHBondContact O-N 3.49Å; L1085-I1089 HydrophobicContact CD2-CD1 3.83Å; L1085-G1090 PolarHBondContact O-N 3.48Å; L1085-N1091 PolarHBondContact O-N 3.19Å; L1085-R1094 HydrophobicContact CD2-CG 4.39Å; L1085-A1095 HydrophobicContact CB-CB 4.2Å; L1085-A1095 HydrophobicContact CD1-CB 4.44Å; L1085-F1098 HydrophobicContact CD1-CB 4.14Å; L1085-F1098 HydrophobicContact CD1-CG 4.26Å
1086I74.5Confident73.5Confident29 Ų2949.6 Ų49.615%0.14926%0.257CS..Iπ-helixtrans-77.2-50.9-176.4-71.6168.8000111.5I1082 Q1083 V1084 L1092 A1095 L1111 A1114I1082-I1086 HydrophobicContact CD1-CD1 4.3Å; I1082-I1086 HydrophobicContact CG1-CD1 3.78Å; I1082-I1086 HydrophobicContact CG1-CG1 4.21Å; I1082-I1086 WeakPolarHBondContact O-CB 3.24Å; I1082-I1086 VanDerWaalsContact O-CG1 3.23Å; I1082-I1086 WeakPolarHBondContact O-CG1 3.42Å; I1082-I1086 PolarHBondContact O-N 3.5Å; Q1083-I1086 PolarHBondContact O-N 3.08Å; V1084-I1086 VanDerWaalsContact C-N 3.35Å; V1084-I1086 PolarHBondContact O-N 3.32Å; I1086-L1092 HydrophobicContact CG1-CD2 4.31Å; I1086-A1095 HydrophobicContact CG1-CB 4.15Å; I1086-L1111 HydrophobicContact CD1-CD1 4.33Å; I1086-A1114 HydrophobicContact CD1-CB 4.01Å; I1086-A1114 HydrophobicContact CG1-CB 4.3Å; I1086-A1114 HydrophobicContact CG2-CB 3.44Å; I1086-A1114 VanDerWaalsContact CG2-CB 3.44Å
1087E70.7Confident73.8Confident120 Ų12048.5 Ų48.556%0.56125%0.248SC*.Iπ-helixtrans-87.5-37.6-169.4-66.7-179.9-178.200112.9Q1083Q1083-E1087 VanDerWaalsContact CG-CD 3.48Å; Q1083-E1087 HydrophobicContact CG-CG 4.12Å; Q1083-E1087 WeakPolarHBondContact CG-OE1 3.41Å; Q1083-E1087 PolarHBondContact NE2-OE1 2.86Å; Q1083-E1087 PolarHBondContact NE2-OE2 3.33Å; Q1083-E1087 WeakPolarHBondContact O-CB 3.35Å; Q1083-E1087 PolarHBondContact O-N 3.49Å
1088H65.3Low73.9Confident77 Ų7746.1 Ų46.136%0.35624%0.236SC..Iπ-helixtrans-106.4-38.1-171.6-65-57.2000113.9V1060 Y1065 V1084V1060-H1088 WeakPolarHBondContact CG1-NE2 3.34Å; Y1065-H1088 HydrophobicContact CD1-CB 3.57Å; Y1065-H1088 AromaticContact CD1-CG 3.91Å; Y1065-H1088 HydrophobicContact CE1-CB 3.82Å; Y1065-H1088 AromaticContact CE1-CG 3.79Å; Y1065-H1088 AromaticContact CE1-ND1 3.85Å; Y1065-H1088 HydrophobicContact CG-CB 4.08Å; V1084-H1088 HydrophobicContact CG1-CB 4.44Å; V1084-H1088 WeakPolarHBondContact O-CB 3.43Å; V1084-H1088 PolarHBondContact O-N 3.29Å; V1084-H1088 VanDerWaalsContact O-N 3.09Å
1089I69.5Low74Confident48 Ų4845.4 Ų45.425%0.24623%0.232CC..Iπ-helixtrans-90.4-31.4177.3-63.8167.9000111.4F1069 V1084 L1085 N1091F1069-I1089 HydrophobicContact CB-CD1 4.24Å; V1084-I1089 HydrophobicContact CG1-CD1 4.34Å; V1084-I1089 PolarHBondContact O-N 3.49Å; L1085-I1089 HydrophobicContact CD2-CD1 3.83Å; I1089-N1091 VanDerWaalsContact C-N 3.29Å; I1089-N1091 HydrophobicContact CG2-CB 4.14Å; I1089-N1091 PolarHBondContact O-N 3.36Å
1090G67Low74.1Confident35 Ų3548.9 Ų48.936%0.36124%0.242SC..  trans74.28.1173.600000116.1L1085L1085-G1090 PolarHBondContact O-N 3.48Å
1091N78.2Confident74Confident70 Ų7057.2 Ų57.237%0.37427%0.27SS..  trans-95.296.7-176.4-170.4-24000111.3L1085 I1089 D1093 R1094 A1095L1085-N1091 PolarHBondContact O-N 3.19Å; I1089-N1091 VanDerWaalsContact C-N 3.29Å; I1089-N1091 HydrophobicContact CG2-CB 4.14Å; I1089-N1091 PolarHBondContact O-N 3.36Å; N1091-D1093 PolarHBondContact OD1-N 3.41Å; N1091-R1094 HydrophobicContact CB-CB 4.3Å; N1091-R1094 PolarHBondContact OD1-N 3.5Å; N1091-A1095 PolarHBondContact O-N 3.44Å; N1091-A1095 VanDerWaalsContact O-N 3.15Å
1092L73.9Confident74Confident19 Ų1958.9 Ų58.910%0.09928%0.281CS..Hα-helixtrans-71.3-26.8-176.8-68.9179.9000113.6I1086 A1095 Y1096 L1111 A1114 K1118 L1120I1086-L1092 HydrophobicContact CG1-CD2 4.31Å; L1092-A1095 PolarHBondContact O-N 3.24Å; L1092-Y1096 WeakPolarHBondContact O-CB 3.36Å; L1092-Y1096 PolarHBondContact O-N 3.35Å; L1092-L1111 HydrophobicContact CD2-CD1 4.27Å; L1092-A1114 HydrophobicContact CD2-CB 4.37Å; L1092-K1118 HydrophobicContact CD1-CD 3.69Å; L1092-K1118 HydrophobicContact CD1-CG 4.39Å; L1092-L1120 HydrophobicContact CD1-CD1 4.11Å
1093D73.1Confident73.9Confident122 Ų12264.2 Ų64.265%0.65231%0.31SS*.Hα-helixtrans-68.3-43.6177.7-60-37.3000110.2N1091 A1095 Y1096 E1097N1091-D1093 PolarHBondContact OD1-N 3.41Å; D1093-A1095 VanDerWaalsContact C-N 3.33Å; D1093-A1095 PolarHBondContact O-N 3.33Å; D1093-Y1096 PolarHBondContact O-N 3.47Å; D1093-E1097 PolarHBondContact O-N 3.09Å
1094R75.4Confident74Confident93 Ų9364 Ų6435%0.35131%0.309SS..Hα-helixtrans-66.6-35.2174.4-160.9176.7-177-167.6-2.1111.6E1066 L1085 N1091 F1098E1066-R1094 IonicContact OE1-NH1 2.67Å; E1066-R1094 PolarHBondContact OE1-NH1 3.05Å; E1066-R1094 IonicContact OE2-CZ 3.39Å; E1066-R1094 IonicContact OE2-NH1 3.85Å; E1066-R1094 PolarHBondContact OE2-NH1 2.86Å; E1066-R1094 VanDerWaalsContact OE2-NH1 3.09Å; E1066-R1094 IonicContact OE2-NH2 2.87Å; L1085-R1094 HydrophobicContact CD2-CG 4.39Å; N1091-R1094 HydrophobicContact CB-CB 4.3Å; N1091-R1094 PolarHBondContact OD1-N 3.5Å; R1094-F1098 VanDerWaalsContact O-CB 3.27Å; R1094-F1098 WeakPolarHBondContact O-CB 3.37Å; R1094-F1098 PolarHBondContact O-N 3.43Å
1095A75Confident73.9Confident0 Ų067.6 Ų67.60%033%0.332CS..Hα-helixtrans-68.4-35.4173.900000112.5I1082 L1085 I1086 N1091 L1092 D1093 F1098 A1099 L1111I1082-A1095 HydrophobicContact CD1-CB 4.25Å; I1082-A1095 WeakPolarHBondContact CD1-O 3.27Å; I1082-A1095 HydrophobicContact CG1-CB 4.02Å; L1085-A1095 HydrophobicContact CB-CB 4.2Å; L1085-A1095 HydrophobicContact CD1-CB 4.44Å; I1086-A1095 HydrophobicContact CG1-CB 4.15Å; N1091-A1095 PolarHBondContact O-N 3.44Å; N1091-A1095 VanDerWaalsContact O-N 3.15Å; L1092-A1095 PolarHBondContact O-N 3.24Å; D1093-A1095 VanDerWaalsContact C-N 3.33Å; D1093-A1095 PolarHBondContact O-N 3.33Å; A1095-F1098 PolarHBondContact O-N 3.11Å; A1095-A1099 WeakPolarHBondContact O-CB 3.28Å; A1095-A1099 PolarHBondContact O-N 3.26Å; A1095-L1111 HydrophobicContact CB-CD1 3.83Å
1096Y75.9Confident73.8Confident73 Ų7370.2 Ų70.229%0.28635%0.354SS..Hα-helixtrans-69.6-45.9174.5-174.6-86.2000111.9L1092 D1093 F1098 A1099 E1100 W1108 L1111 R1130L1092-Y1096 WeakPolarHBondContact O-CB 3.36Å; L1092-Y1096 PolarHBondContact O-N 3.35Å; D1093-Y1096 PolarHBondContact O-N 3.47Å; Y1096-F1098 PolarHBondContact O-N 3.48Å; Y1096-A1099 PolarHBondContact O-N 3.02Å; Y1096-E1100 WeakPolarHBondContact O-CB 3.49Å; Y1096-E1100 PolarHBondContact O-N 3.02Å; Y1096-W1108 HydrophobicContact CD2-CH2 4.47Å; Y1096-W1108 HydrophobicContact CD2-CZ3 4.03Å; Y1096-W1108 HydrophobicContact CE2-CH2 4.08Å; Y1096-W1108 AromaticContact CE2-CZ3 3.78Å; Y1096-W1108 HydrophobicContact CE2-CZ3 3.78Å; Y1096-L1111 HydrophobicContact CD2-CD2 3.93Å; Y1096-L1111 HydrophobicContact CG-CD2 4.45Å; Y1096-R1130 PolarHBondContact OH-NH1 3.34Å
1097E77.5Confident74Confident105 Ų10568.8 Ų68.849%0.49135%0.347SS..Hα-helixtrans-59-38.5173.1-73.5-176.2-173.500111.9D1093 R1101D1093-E1097 PolarHBondContact O-N 3.09Å; E1097-R1101 VanDerWaalsContact O-CG 3.31Å; E1097-R1101 WeakPolarHBondContact O-CG 3.27Å; E1097-R1101 PolarHBondContact O-N 3.26Å; E1097-R1101 VanDerWaalsContact O-N 3.11Å
1098F76.9Confident74.4Confident15 Ų1563.2 Ų63.27%0.06632%0.32CS..Hα-helixtrans-66.4-46.2175.5-174.6-101000111.7F1069 H1073 N1078 A1081 I1082 L1085 R1094 A1095 Y1096 E1100 R1101 C1102 V1107F1069-F1098 HydrophobicContact CE2-CD2 4.42Å; F1069-F1098 HydrophobicContact CE2-CE2 4.39Å; F1069-F1098 HydrophobicContact CZ-CD2 4.17Å; F1069-F1098 HydrophobicContact CZ-CE2 4.3Å; H1073-F1098 AromaticContact ND1-CE2 3.59Å; N1078-F1098 HydrophobicContact CB-CE1 4.15Å; N1078-F1098 HydrophobicContact CB-CZ 4.25Å; A1081-F1098 HydrophobicContact CB-CE1 3.98Å; A1081-F1098 HydrophobicContact CB-CZ 3.75Å; I1082-F1098 HydrophobicContact CB-CD1 4.1Å; I1082-F1098 HydrophobicContact CB-CE1 4.26Å; I1082-F1098 HydrophobicContact CD1-CD1 4.44Å; I1082-F1098 HydrophobicContact CG1-CD1 4.34Å; L1085-F1098 HydrophobicContact CD1-CB 4.14Å; L1085-F1098 HydrophobicContact CD1-CG 4.26Å; R1094-F1098 VanDerWaalsContact O-CB 3.27Å; R1094-F1098 WeakPolarHBondContact O-CB 3.37Å; R1094-F1098 PolarHBondContact O-N 3.43Å; A1095-F1098 PolarHBondContact O-N 3.11Å; Y1096-F1098 PolarHBondContact O-N 3.48Å; F1098-E1100 VanDerWaalsContact C-N 3.31Å; F1098-E1100 PolarHBondContact O-N 3.15Å; F1098-R1101 PolarHBondContact O-N 3.48Å; F1098-C1102 VanDerWaalsContact CZ-SG 3.53Å; F1098-C1102 WeakPolarHBondContact O-CB 3.34Å; F1098-C1102 PolarHBondContact O-N 3Å; F1098-C1102 PolarHBondContact O-SG 2.83Å; F1098-C1102 VanDerWaalsContact O-SG 3.37Å; F1098-V1107 HydrophobicContact CD1-CG1 4.5Å
1099A75.9Confident75.1Confident0 Ų060.3 Ų60.30%031%0.309CS..Hα-helixtrans-62.1-36.717600000112.8I1082 A1095 Y1096 N1103 V1107 W1108 L1111I1082-A1099 HydrophobicContact CD1-CB 4.07Å; A1095-A1099 WeakPolarHBondContact O-CB 3.28Å; A1095-A1099 PolarHBondContact O-N 3.26Å; Y1096-A1099 PolarHBondContact O-N 3.02Å; A1099-N1103 WeakPolarHBondContact O-CA 3.29Å; A1099-N1103 PolarHBondContact O-N 3.35Å; A1099-V1107 HydrophobicContact CB-CG1 3.84Å; A1099-W1108 HydrophobicContact CB-CD2 4.06Å; A1099-W1108 HydrophobicContact CB-CE3 3.91Å; A1099-W1108 HydrophobicContact CB-CH2 3.94Å; A1099-W1108 HydrophobicContact CB-CZ2 4.13Å; A1099-W1108 HydrophobicContact CB-CZ3 3.84Å; A1099-W1108 WeakPolarHBondContact O-CZ2 3.46Å; A1099-L1111 HydrophobicContact CB-CD2 3.71Å
1100E77Confident75.6Confident105 Ų10561.1 Ų61.149%0.49131%0.311SS..Hα-helixtrans-68.8-34.5176.4-170.7163.9-129.700112.8Y1096 F1098 W1108 R1130Y1096-E1100 WeakPolarHBondContact O-CB 3.49Å; Y1096-E1100 PolarHBondContact O-N 3.02Å; F1098-E1100 VanDerWaalsContact C-N 3.31Å; F1098-E1100 PolarHBondContact O-N 3.15Å; E1100-W1108 HydrophobicContact CB-CH2 4.23Å; E1100-W1108 HydrophobicContact CB-CZ2 4.32Å; E1100-R1130 IonicContact OE1-NH1 3.01Å
1101R73.1Confident76.2Confident201 Ų20159.4 Ų59.476%0.75829%0.294SS*.Hα-helixtrans-74.2-43.1174.8-71.8177.1-170.1-173.97.7112.8E1097 F1098E1097-R1101 VanDerWaalsContact O-CG 3.31Å; E1097-R1101 WeakPolarHBondContact O-CG 3.27Å; E1097-R1101 PolarHBondContact O-N 3.26Å; E1097-R1101 VanDerWaalsContact O-N 3.11Å; F1098-R1101 PolarHBondContact O-N 3.48Å
1102C71.1Confident76.2Confident34 Ų3456.1 Ų56.123%0.2328%0.276CS..Hα-helixtrans-76.8-34.3-178.1-64.50000112.5N1078 F1098 E1104N1078-C1102 HydrophobicContact CB-CB 4.48Å; F1098-C1102 VanDerWaalsContact CZ-SG 3.53Å; F1098-C1102 WeakPolarHBondContact O-CB 3.34Å; F1098-C1102 PolarHBondContact O-N 3Å; F1098-C1102 PolarHBondContact O-SG 2.83Å; F1098-C1102 VanDerWaalsContact O-SG 3.37Å; C1102-E1104 PolarHBondContact O-N 3.07Å
1103N75.6Confident76.4Confident113 Ų11359.1 Ų59.160%0.60429%0.29SS*.  trans48.338.5179.7-162.738.6000115.1A1099 W1108A1099-N1103 WeakPolarHBondContact O-CA 3.29Å; A1099-N1103 PolarHBondContact O-N 3.35Å; N1103-W1108 PolarHBondContact OD1-NE1 3.11Å
1104E76Confident76.5Confident78 Ų7853.8 Ų53.836%0.36426%0.262SS..  trans-98.3138.8177.5-77-179.4-164.700111.9N1078 C1102 A1106 V1107 W1108N1078-E1104 PolarHBondContact ND2-OE1 3.22Å; C1102-E1104 PolarHBondContact O-N 3.07Å; E1104-A1106 VanDerWaalsContact C-N 3.33Å; E1104-A1106 PolarHBondContact O-N 3.09Å; E1104-V1107 HydrophobicContact CB-CB 4.32Å; E1104-V1107 HydrophobicContact CB-CG2 3.91Å; E1104-V1107 PolarHBondContact O-N 2.91Å; E1104-W1108 PolarHBondContact O-N 3.16Å
1105P74.8Confident76.6Confident83 Ų8349.5 Ų49.554%0.53925%0.246SC..Hα-helixtrans-57.2-40.7-179-27.535.1000114.4V1107 W1108 S1109P1105-V1107 VanDerWaalsContact C-N 3.35Å; P1105-V1107 PolarHBondContact O-N 3Å; P1105-W1108 PolarHBondContact O-N 2.87Å; P1105-S1109 PolarHBondContact O-N 3.38Å; P1105-S1109 PolarHBondContact O-OG 3.29Å
1106A73.2Confident76.8Confident54 Ų5450 Ų5045%0.44625%0.249SC..Hα-helixtrans-66.3-36.3-178.300000112.8E1104 S1109 Q1110E1104-A1106 VanDerWaalsContact C-N 3.33Å; E1104-A1106 PolarHBondContact O-N 3.09Å; A1106-S1109 PolarHBondContact O-N 3.18Å; A1106-Q1110 WeakPolarHBondContact O-CG 3.33Å; A1106-Q1110 PolarHBondContact O-N 3.03Å; A1106-Q1110 VanDerWaalsContact O-N 3.15Å
1107V78.6Confident76.7Confident0 Ų053.4 Ų53.40%027%0.268CS..Hα-helixtrans-69.1-42.5178.3178.50000110.1N1078 I1082 F1098 A1099 E1104 P1105 Q1110 L1111N1078-V1107 HydrophobicContact CB-CG2 3.82Å; I1082-V1107 HydrophobicContact CB-CG1 4.12Å; I1082-V1107 HydrophobicContact CD1-CG1 3.32Å; I1082-V1107 HydrophobicContact CG1-CG1 4.28Å; I1082-V1107 HydrophobicContact CG2-CG1 4.05Å; F1098-V1107 HydrophobicContact CD1-CG1 4.5Å; A1099-V1107 HydrophobicContact CB-CG1 3.84Å; E1104-V1107 HydrophobicContact CB-CB 4.32Å; E1104-V1107 HydrophobicContact CB-CG2 3.91Å; E1104-V1107 PolarHBondContact O-N 2.91Å; P1105-V1107 VanDerWaalsContact C-N 3.35Å; P1105-V1107 PolarHBondContact O-N 3Å; V1107-Q1110 PolarHBondContact O-N 3.24Å; V1107-L1111 WeakPolarHBondContact O-CB 3.18Å; V1107-L1111 PolarHBondContact O-N 3.49Å
1108W80.3Confident76.5Confident2 Ų254 Ų541%0.00827%0.269CS..Hα-helixtrans-64-41174.6-75.4117.7000112.7Y1096 A1099 E1100 N1103 E1104 P1105 L1111 A1112 R1130Y1096-W1108 HydrophobicContact CD2-CH2 4.47Å; Y1096-W1108 HydrophobicContact CD2-CZ3 4.03Å; Y1096-W1108 HydrophobicContact CE2-CH2 4.08Å; Y1096-W1108 AromaticContact CE2-CZ3 3.78Å; Y1096-W1108 HydrophobicContact CE2-CZ3 3.78Å; A1099-W1108 HydrophobicContact CB-CD2 4.06Å; A1099-W1108 HydrophobicContact CB-CE3 3.91Å; A1099-W1108 HydrophobicContact CB-CH2 3.94Å; A1099-W1108 HydrophobicContact CB-CZ2 4.13Å; A1099-W1108 HydrophobicContact CB-CZ3 3.84Å; A1099-W1108 WeakPolarHBondContact O-CZ2 3.46Å; E1100-W1108 HydrophobicContact CB-CH2 4.23Å; E1100-W1108 HydrophobicContact CB-CZ2 4.32Å; N1103-W1108 PolarHBondContact OD1-NE1 3.11Å; E1104-W1108 PolarHBondContact O-N 3.16Å; P1105-W1108 PolarHBondContact O-N 2.87Å; W1108-L1111 HydrophobicContact CE3-CD2 4.07Å; W1108-L1111 HydrophobicContact CZ3-CD2 3.94Å; W1108-L1111 PolarHBondContact O-N 3.14Å; W1108-A1112 WeakPolarHBondContact O-CB 3.44Å; W1108-A1112 PolarHBondContact O-N 2.78Å; W1108-R1130 HydrophobicContact CD2-CB 4.09Å; W1108-R1130 HydrophobicContact CG-CB 4.16Å
1109S79.8Confident76.3Confident16 Ų1659.8 Ų59.811%0.11230%0.3CS..Hα-helixtrans-63-42.7176.6-710000112.7P1105 A1106 A1112 Q1113 D1133P1105-S1109 PolarHBondContact O-N 3.38Å; P1105-S1109 PolarHBondContact O-OG 3.29Å; A1106-S1109 PolarHBondContact O-N 3.18Å; S1109-A1112 PolarHBondContact O-N 2.81Å; S1109-Q1113 PolarHBondContact O-N 2.97Å; S1109-D1133 WeakPolarHBondContact CB-OD2 3.43Å; S1109-D1133 WeakPolarHBondContact OG-CB 3.24Å; S1109-D1133 PolarHBondContact OG-OD2 2.99Å
1110Q78.3Confident76.4Confident65 Ų6563 Ų6330%0.30432%0.317SS..Hα-helixtrans-68.1-41.5178.3-72.6179-13.900112A1079 I1082 A1106 V1107 Q1113 A1114A1079-Q1110 PolarHBondContact O-OE1 3.44Å; I1082-Q1110 HydrophobicContact CG2-CB 4.41Å; A1106-Q1110 WeakPolarHBondContact O-CG 3.33Å; A1106-Q1110 PolarHBondContact O-N 3.03Å; A1106-Q1110 VanDerWaalsContact O-N 3.15Å; V1107-Q1110 PolarHBondContact O-N 3.24Å; Q1110-Q1113 PolarHBondContact O-N 3.12Å; Q1110-A1114 PolarHBondContact O-N 2.92Å; Q1110-A1114 VanDerWaalsContact O-N 3.11Å
1111L80.9Confident76.3Confident0 Ų058.4 Ų58.40%030%0.296CS..Hα-helixtrans-62.7-42.8172.8-177.364.7000111.6I1082 I1086 L1092 A1095 Y1096 A1099 V1107 W1108 Q1113 A1114 Q1115I1082-L1111 HydrophobicContact CD1-CB 3.98Å; I1082-L1111 HydrophobicContact CD1-CD1 4.43Å; I1086-L1111 HydrophobicContact CD1-CD1 4.33Å; L1092-L1111 HydrophobicContact CD2-CD1 4.27Å; A1095-L1111 HydrophobicContact CB-CD1 3.83Å; Y1096-L1111 HydrophobicContact CD2-CD2 3.93Å; Y1096-L1111 HydrophobicContact CG-CD2 4.45Å; A1099-L1111 HydrophobicContact CB-CD2 3.71Å; V1107-L1111 WeakPolarHBondContact O-CB 3.18Å; V1107-L1111 PolarHBondContact O-N 3.49Å; W1108-L1111 HydrophobicContact CE3-CD2 4.07Å; W1108-L1111 HydrophobicContact CZ3-CD2 3.94Å; W1108-L1111 PolarHBondContact O-N 3.14Å; L1111-Q1113 VanDerWaalsContact C-N 3.34Å; L1111-Q1113 PolarHBondContact O-N 3.29Å; L1111-A1114 PolarHBondContact O-N 3.02Å; L1111-Q1115 HydrophobicContact CD1-CG 4.34Å; L1111-Q1115 HydrophobicContact CG-CG 4.34Å; L1111-Q1115 WeakPolarHBondContact O-CB 3.34Å; L1111-Q1115 VanDerWaalsContact O-CG 3.28Å; L1111-Q1115 WeakPolarHBondContact O-CG 3.47Å; L1111-Q1115 PolarHBondContact O-N 2.93Å
1112A77.2Confident76.4Confident0 Ų054.1 Ų54.10%028%0.283CS..Hα-helixtrans-61.6-42.3179.600000111.9W1108 S1109 Q1115 L1116 A1124 Y1128W1108-A1112 WeakPolarHBondContact O-CB 3.44Å; W1108-A1112 PolarHBondContact O-N 2.78Å; S1109-A1112 PolarHBondContact O-N 2.81Å; A1112-Q1115 PolarHBondContact O-N 3.02Å; A1112-L1116 WeakPolarHBondContact O-CB 3.37Å; A1112-L1116 PolarHBondContact O-N 2.84Å; A1112-A1124 WeakPolarHBondContact O-CB 3.37Å; A1112-Y1128 HydrophobicContact CB-CD1 3.68Å; A1112-Y1128 HydrophobicContact CB-CD2 3.49Å; A1112-Y1128 VanDerWaalsContact CB-CD2 3.49Å; A1112-Y1128 HydrophobicContact CB-CE1 3.76Å; A1112-Y1128 HydrophobicContact CB-CE2 3.55Å; A1112-Y1128 HydrophobicContact CB-CG 3.53Å
1113Q78.2Confident76.7Confident83 Ų8357.1 Ų57.139%0.38829%0.294SS..Hα-helixtrans-65-41.8176.7-16617314.400111.6S1109 Q1110 L1111 L1116 Q1117 Y1128S1109-Q1113 PolarHBondContact O-N 2.97Å; Q1110-Q1113 PolarHBondContact O-N 3.12Å; L1111-Q1113 VanDerWaalsContact C-N 3.34Å; L1111-Q1113 PolarHBondContact O-N 3.29Å; Q1113-L1116 PolarHBondContact O-N 3.26Å; Q1113-Q1117 WeakPolarHBondContact O-CG 3.44Å; Q1113-Q1117 PolarHBondContact O-N 3.15Å; Q1113-Q1117 VanDerWaalsContact O-N 3.09Å; Q1113-Y1128 WeakPolarHBondContact CA-OH 3.31Å; Q1113-Y1128 WeakPolarHBondContact CB-OH 3.35Å; Q1113-Y1128 PolarHBondContact N-OH 3.35Å
1114A74.8Confident76.8Confident9 Ų951.7 Ų51.77%0.07427%0.265CS..Hα-helixtrans-67.1-38.6176.700000113.2I1086 L1092 Q1110 L1111 L1116 Q1117 K1118I1086-A1114 HydrophobicContact CD1-CB 4.01Å; I1086-A1114 HydrophobicContact CG1-CB 4.3Å; I1086-A1114 HydrophobicContact CG2-CB 3.44Å; I1086-A1114 VanDerWaalsContact CG2-CB 3.44Å; L1092-A1114 HydrophobicContact CD2-CB 4.37Å; Q1110-A1114 PolarHBondContact O-N 2.92Å; Q1110-A1114 VanDerWaalsContact O-N 3.11Å; L1111-A1114 PolarHBondContact O-N 3.02Å; A1114-L1116 VanDerWaalsContact C-N 3.34Å; A1114-Q1117 PolarHBondContact O-N 3.46Å; A1114-K1118 PolarHBondContact O-N 3.48Å
1115Q79.4Confident76.9Confident3 Ų348 Ų481%0.01425%0.247CC..Hα-helixtrans-65.4-38.3173.8-75.1173.8-26.700111.5L1111 A1112 Q1117 K1118 D1119 L1120 E1123 A1124 S1127L1111-Q1115 HydrophobicContact CD1-CG 4.34Å; L1111-Q1115 HydrophobicContact CG-CG 4.34Å; L1111-Q1115 WeakPolarHBondContact O-CB 3.34Å; L1111-Q1115 VanDerWaalsContact O-CG 3.28Å; L1111-Q1115 WeakPolarHBondContact O-CG 3.47Å; L1111-Q1115 PolarHBondContact O-N 2.93Å; A1112-Q1115 PolarHBondContact O-N 3.02Å; Q1115-Q1117 VanDerWaalsContact C-N 3.33Å; Q1115-Q1117 PolarHBondContact O-N 3.35Å; Q1115-K1118 PolarHBondContact O-N 3Å; Q1115-D1119 PolarHBondContact O-N 3.38Å; Q1115-L1120 HydrophobicContact CB-CB 4.3Å; Q1115-L1120 PolarHBondContact O-N 3.19Å; Q1115-E1123 PolarHBondContact OE1-O 3.45Å; Q1115-A1124 HydrophobicContact CB-CB 3.8Å; Q1115-S1127 PolarHBondContact OE1-OG 3.39Å
1116L78Confident77.1Confident12 Ų1247.6 Ų47.66%0.06324%0.241CC..Hα-helixtrans-66-36.2177.3-166.9141.4000111.8A1112 Q1113 A1114 K1118 D1119 A1124 Y1128 E1139 V1140A1112-L1116 WeakPolarHBondContact O-CB 3.37Å; A1112-L1116 PolarHBondContact O-N 2.84Å; Q1113-L1116 PolarHBondContact O-N 3.26Å; A1114-L1116 VanDerWaalsContact C-N 3.34Å; L1116-K1118 VanDerWaalsContact C-N 3.3Å; L1116-K1118 PolarHBondContact O-N 3.37Å; L1116-D1119 PolarHBondContact O-N 2.74Å; L1116-A1124 HydrophobicContact CB-CB 3.96Å; L1116-Y1128 HydrophobicContact CD1-CE2 4.06Å; L1116-E1139 HydrophobicContact CD2-CB 4.18Å; L1116-V1140 HydrophobicContact CD1-CB 4.29Å; L1116-V1140 HydrophobicContact CD1-CG2 3.52Å
1117Q74.4Confident77.4Confident144 Ų14445.1 Ų45.167%0.67322%0.22SC*.Hα-helixtrans-69.1-23.2175.2-72.1178400113.9Q1113 A1114 Q1115Q1113-Q1117 WeakPolarHBondContact O-CG 3.44Å; Q1113-Q1117 PolarHBondContact O-N 3.15Å; Q1113-Q1117 VanDerWaalsContact O-N 3.09Å; A1114-Q1117 PolarHBondContact O-N 3.46Å; Q1115-Q1117 VanDerWaalsContact C-N 3.33Å; Q1115-Q1117 PolarHBondContact O-N 3.35Å
1118K73.9Confident77.4Confident118 Ų11845.2 Ų45.251%0.51322%0.22SC..THydrogen-bonded Turntrans-98.820.3175.3-62.9-159.2-168170.40113.7L1092 A1114 Q1115 L1116 L1120L1092-K1118 HydrophobicContact CD1-CD 3.69Å; L1092-K1118 HydrophobicContact CD1-CG 4.39Å; A1114-K1118 PolarHBondContact O-N 3.48Å; Q1115-K1118 PolarHBondContact O-N 3Å; L1116-K1118 VanDerWaalsContact C-N 3.3Å; L1116-K1118 PolarHBondContact O-N 3.37Å; K1118-L1120 PolarHBondContact O-N 3.45Å
1119D71.4Confident77.4Confident136 Ų13647.8 Ų47.873%0.72723%0.234SC*.THydrogen-bonded Turntrans60.816.9-179.8-66.9-40.4000115.7Q1115 L1116 V1121Q1115-D1119 PolarHBondContact O-N 3.38Å; L1116-D1119 PolarHBondContact O-N 2.74Å; D1119-V1121 PolarHBondContact O-N 2.88Å
1120L78.2Confident77.2Confident68 Ų6852.8 Ų52.836%0.35625%0.25SC..  trans-83.560.6175.6-65170.8000111.1L1092 Q1115 K1118 K1122 E1123 A1124L1092-L1120 HydrophobicContact CD1-CD1 4.11Å; Q1115-L1120 HydrophobicContact CB-CB 4.3Å; Q1115-L1120 PolarHBondContact O-N 3.19Å; K1118-L1120 PolarHBondContact O-N 3.45Å; L1120-K1122 PolarHBondContact O-N 3.24Å; L1120-E1123 HydrophobicContact CB-CB 4.5Å; L1120-E1123 PolarHBondContact O-N 3.3Å; L1120-A1124 WeakPolarHBondContact O-CB 3.34Å; L1120-A1124 PolarHBondContact O-N 3.35Å
1121V75.3Confident76.8Confident7 Ų749.9 Ų49.94%0.04224%0.237CC..Hα-helixtrans-60.9-38.2-167.2-177.40000113.6D1119 I1125 A1144D1119-V1121 PolarHBondContact O-N 2.88Å; V1121-I1125 HydrophobicContact CG1-CD1 3.75Å; V1121-I1125 HydrophobicContact CG1-CG1 4.37Å; V1121-I1125 WeakPolarHBondContact O-CB 3.18Å; V1121-I1125 WeakPolarHBondContact O-CD1 3.41Å; V1121-I1125 WeakPolarHBondContact O-CG1 3.28Å; V1121-I1125 PolarHBondContact O-N 3.23Å; V1121-A1144 HydrophobicContact CG1-CB 4.17Å
1122K76Confident76.4Confident112 Ų11253.4 Ų53.449%0.48726%0.257SS..Hα-helixtrans-67.3-42.3-180-67.9-173.7177.2-177.20112.3L1120 N1126 N1149L1120-K1122 PolarHBondContact O-N 3.24Å; K1122-N1126 PolarHBondContact O-N 2.93Å; K1122-N1126 PolarHBondContact O-ND2 3.25Å; K1122-N1126 VanDerWaalsContact O-ND2 3.15Å; K1122-N1149 VanDerWaalsContact CE-CG 3.49Å; K1122-N1149 WeakPolarHBondContact CE-OD1 3.41Å; K1122-N1149 WeakPolarHBondContact CG-ND2 3.41Å
1123E77.3Confident76.1Confident96 Ų9655.3 Ų55.345%0.44927%0.267SS..Hα-helixtrans-71.9-43.3179.2-66.5172.5-173.800110.3Q1115 L1120 I1125 N1126 S1127Q1115-E1123 PolarHBondContact OE1-O 3.45Å; L1120-E1123 HydrophobicContact CB-CB 4.5Å; L1120-E1123 PolarHBondContact O-N 3.3Å; E1123-I1125 PolarHBondContact O-N 2.99Å; E1123-N1126 PolarHBondContact O-N 3.11Å; E1123-N1126 VanDerWaalsContact O-N 3.13Å; E1123-S1127 WeakPolarHBondContact O-CB 3.41Å; E1123-S1127 PolarHBondContact O-N 3.49Å; E1123-S1127 PolarHBondContact O-OG 2.9Å; E1123-S1127 VanDerWaalsContact O-OG 3.07Å
1124A77Confident75.5Confident0 Ų053.1 Ų53.10%026%0.26CS..Hα-helixtrans-56.9-45.7175.200000112.5A1112 Q1115 L1116 L1120 N1126 S1127 Y1128A1112-A1124 WeakPolarHBondContact O-CB 3.37Å; Q1115-A1124 HydrophobicContact CB-CB 3.8Å; L1116-A1124 HydrophobicContact CB-CB 3.96Å; L1120-A1124 WeakPolarHBondContact O-CB 3.34Å; L1120-A1124 PolarHBondContact O-N 3.35Å; A1124-N1126 VanDerWaalsContact C-N 3.35Å; A1124-N1126 PolarHBondContact O-N 2.94Å; A1124-S1127 PolarHBondContact O-N 3.4Å; A1124-Y1128 WeakPolarHBondContact O-CD2 3.44Å; A1124-Y1128 PolarHBondContact O-N 2.86Å
1125I78.1Confident75.3Confident0 Ų056.4 Ų56.40%028%0.282CS..Hα-helixtrans-62.5-42.6176.9-71.9168.9000111V1121 E1123 Y1128 I1129 V1140 A1144 D1152 F1156V1121-I1125 HydrophobicContact CG1-CD1 3.75Å; V1121-I1125 HydrophobicContact CG1-CG1 4.37Å; V1121-I1125 WeakPolarHBondContact O-CB 3.18Å; V1121-I1125 WeakPolarHBondContact O-CD1 3.41Å; V1121-I1125 WeakPolarHBondContact O-CG1 3.28Å; V1121-I1125 PolarHBondContact O-N 3.23Å; E1123-I1125 PolarHBondContact O-N 2.99Å; I1125-Y1128 PolarHBondContact O-N 3.37Å; I1125-I1129 HydrophobicContact CG2-CD1 3.76Å; I1125-I1129 HydrophobicContact CG2-CG1 4.44Å; I1125-I1129 WeakPolarHBondContact O-CD1 3.4Å; I1125-I1129 WeakPolarHBondContact O-CG1 3.42Å; I1125-I1129 PolarHBondContact O-N 3.03Å; I1125-V1140 HydrophobicContact CD1-CG1 4.22Å; I1125-V1140 HydrophobicContact CG1-CG1 3.78Å; I1125-A1144 HydrophobicContact CD1-CB 4.17Å; I1125-D1152 HydrophobicContact CD1-CB 4.42Å; I1125-D1152 HydrophobicContact CG2-CB 3.97Å; I1125-F1156 HydrophobicContact CG2-CB 4Å
1126N78.6Confident74.8Confident75 Ų7557.2 Ų57.240%0.40129%0.288SS..Hα-helixtrans-65.3-40.4177.1-74.8-31.7000111.8K1122 E1123 A1124 I1129 R1130K1122-N1126 PolarHBondContact O-N 2.93Å; K1122-N1126 PolarHBondContact O-ND2 3.25Å; K1122-N1126 VanDerWaalsContact O-ND2 3.15Å; E1123-N1126 PolarHBondContact O-N 3.11Å; E1123-N1126 VanDerWaalsContact O-N 3.13Å; A1124-N1126 VanDerWaalsContact C-N 3.35Å; A1124-N1126 PolarHBondContact O-N 2.94Å; N1126-I1129 PolarHBondContact O-N 3.42Å; N1126-R1130 WeakPolarHBondContact O-CG 3.5Å; N1126-R1130 PolarHBondContact O-N 3.23Å
1127S79.6Confident74.5Confident1 Ų159 Ų591%0.00729%0.294CS..Hα-helixtrans-63.9-42.8175.4-62.80000111.5Q1115 E1123 A1124 I1129 R1130 G1131Q1115-S1127 PolarHBondContact OE1-OG 3.39Å; E1123-S1127 WeakPolarHBondContact O-CB 3.41Å; E1123-S1127 PolarHBondContact O-N 3.49Å; E1123-S1127 PolarHBondContact O-OG 2.9Å; E1123-S1127 VanDerWaalsContact O-OG 3.07Å; A1124-S1127 PolarHBondContact O-N 3.4Å; S1127-I1129 PolarHBondContact O-N 3.06Å; S1127-R1130 PolarHBondContact O-N 3.37Å; S1127-G1131 PolarHBondContact O-N 2.65Å
1128Y79.6Confident74.6Confident2 Ų255.8 Ų55.81%0.00828%0.281CS..Hα-helixtrans-64.4-36.1172.8-84.3-58.5000113.4A1112 Q1113 L1116 A1124 I1125 G1131 D1132 D1133 S1136 V1140 F1156A1112-Y1128 HydrophobicContact CB-CD1 3.68Å; A1112-Y1128 HydrophobicContact CB-CD2 3.49Å; A1112-Y1128 VanDerWaalsContact CB-CD2 3.49Å; A1112-Y1128 HydrophobicContact CB-CE1 3.76Å; A1112-Y1128 HydrophobicContact CB-CE2 3.55Å; A1112-Y1128 HydrophobicContact CB-CG 3.53Å; Q1113-Y1128 WeakPolarHBondContact CA-OH 3.31Å; Q1113-Y1128 WeakPolarHBondContact CB-OH 3.35Å; Q1113-Y1128 PolarHBondContact N-OH 3.35Å; L1116-Y1128 HydrophobicContact CD1-CE2 4.06Å; A1124-Y1128 WeakPolarHBondContact O-CD2 3.44Å; A1124-Y1128 PolarHBondContact O-N 2.86Å; I1125-Y1128 PolarHBondContact O-N 3.37Å; Y1128-G1131 CarbonylContact O-C 3.56Å; Y1128-G1131 PolarHBondContact O-N 2.78Å; Y1128-D1132 PolarHBondContact O-N 2.97Å; Y1128-D1133 HydrophobicContact CD1-CB 4.48Å; Y1128-D1133 PolarHBondContact O-N 3.03Å; Y1128-S1136 PolarHBondContact OH-OG 3.48Å; Y1128-V1140 HydrophobicContact CD2-CG2 3.88Å; Y1128-V1140 HydrophobicContact CE2-CG2 3.8Å; Y1128-F1156 HydrophobicContact CG-CE2 4.22Å
1129I79Confident74.5Confident56 Ų5654.9 Ų54.929%0.28728%0.279SS..Hα-helixtrans-67.3-40.3174.8-69.6165.6000110.6I1125 N1126 S1127 D1132 K1155 F1156I1125-I1129 HydrophobicContact CG2-CD1 3.76Å; I1125-I1129 HydrophobicContact CG2-CG1 4.44Å; I1125-I1129 WeakPolarHBondContact O-CD1 3.4Å; I1125-I1129 WeakPolarHBondContact O-CG1 3.42Å; I1125-I1129 PolarHBondContact O-N 3.03Å; N1126-I1129 PolarHBondContact O-N 3.42Å; S1127-I1129 PolarHBondContact O-N 3.06Å; I1129-D1132 PolarHBondContact O-N 3.35Å; I1129-K1155 HydrophobicContact CD1-CB 4.04Å; I1129-F1156 HydrophobicContact CD1-CB 4.4Å; I1129-F1156 HydrophobicContact CG1-CB 4.37Å; I1129-F1156 HydrophobicContact CG1-CD2 4.38Å
1130R75.6Confident74.8Confident121 Ų12148.4 Ų48.446%0.45724%0.244SC..Hα-helixtrans-67.9-35.7174.7-72.6-177.4180-161.7-0.2112.3Y1096 E1100 W1108 N1126 S1127 D1132Y1096-R1130 PolarHBondContact OH-NH1 3.34Å; E1100-R1130 IonicContact OE1-NH1 3.01Å; W1108-R1130 HydrophobicContact CD2-CB 4.09Å; W1108-R1130 HydrophobicContact CG-CB 4.16Å; N1126-R1130 WeakPolarHBondContact O-CG 3.5Å; N1126-R1130 PolarHBondContact O-N 3.23Å; S1127-R1130 PolarHBondContact O-N 3.37Å; R1130-D1132 VanDerWaalsContact C-N 3.29Å
1131G70.9Confident74.7Confident4 Ų445.3 Ų45.34%0.04123%0.228CC..Hα-helixtrans-77-10.1174.500000114.7S1127 Y1128 D1133S1127-G1131 PolarHBondContact O-N 2.65Å; Y1128-G1131 CarbonylContact O-C 3.56Å; Y1128-G1131 PolarHBondContact O-N 2.78Å; G1131-D1133 PolarHBondContact O-N 3.39Å
1132D72.4Confident74.7Confident75 Ų7549.6 Ų49.640%0.40125%0.248SC..THydrogen-bonded Turntrans51.637.4-179.6-161.123.1000112.8Y1128 I1129 R1130 M1159 K1163Y1128-D1132 PolarHBondContact O-N 2.97Å; I1129-D1132 PolarHBondContact O-N 3.35Å; R1130-D1132 VanDerWaalsContact C-N 3.29Å; D1132-M1159 WeakPolarHBondContact OD1-CG 3.47Å; D1132-K1163 PolarHBondContact O-NZ 3.18Å; D1132-K1163 VanDerWaalsContact OD1-CE 3.25Å; D1132-K1163 WeakPolarHBondContact OD1-CE 2.98Å; D1132-K1163 IonicContact OD1-NZ 2.76Å; D1132-K1163 PolarHBondContact OD1-NZ 2.67Å; D1132-K1163 WeakPolarHBondContact OD2-CE 3.4Å; D1132-K1163 IonicContact OD2-NZ 3.56Å; D1132-K1163 PolarHBondContact OD2-NZ 3.39Å
1133D70.3Confident74.5Confident40 Ų4045.2 Ų45.221%0.21423%0.231CC..  trans-112.6117-171.6-172-3.8000112S1109 Y1128 G1131 S1135S1109-D1133 WeakPolarHBondContact CB-OD2 3.43Å; S1109-D1133 WeakPolarHBondContact OG-CB 3.24Å; S1109-D1133 PolarHBondContact OG-OD2 2.99Å; Y1128-D1133 HydrophobicContact CD1-CB 4.48Å; Y1128-D1133 PolarHBondContact O-N 3.03Å; G1131-D1133 PolarHBondContact O-N 3.39Å; D1133-S1135 WeakPolarHBondContact OD1-CB 3.1Å; D1133-S1135 PolarHBondContact OD1-N 3.14Å; D1133-S1135 PolarHBondContact OD1-OG 2.87Å; D1133-S1135 PolarHBondContact OD2-OG 2.95Å; D1133-S1135 VanDerWaalsContact OD2-OG 3.14Å
1134P66.3Low74.3Confident37 Ų3740.7 Ų40.724%0.2421%0.21CC..  trans-88.3-3.8179.234.5-33.7000114S1136 Y1137 A1160 K1163P1134-S1136 VanDerWaalsContact C-N 3.29Å; P1134-S1136 PolarHBondContact O-N 2.68Å; P1134-S1136 VanDerWaalsContact O-N 3.12Å; P1134-Y1137 WeakPolarHBondContact O-CD1 3.34Å; P1134-Y1137 PolarHBondContact O-N 3.13Å; P1134-A1160 HydrophobicContact CB-CB 4.1Å; P1134-K1163 HydrophobicContact CG-CB 4.46Å; P1134-K1163 HydrophobicContact CG-CD 4.39Å
1135S69.3Low74Confident77 Ų7742.8 Ų42.854%0.53823%0.225SC..THydrogen-bonded Turntrans-57.7-31.2-165.356.90000115.8D1133D1133-S1135 WeakPolarHBondContact OD1-CB 3.1Å; D1133-S1135 PolarHBondContact OD1-N 3.14Å; D1133-S1135 PolarHBondContact OD1-OG 2.87Å; D1133-S1135 PolarHBondContact OD2-OG 2.95Å; D1133-S1135 VanDerWaalsContact OD2-OG 3.14Å
1136S69.7Low73.8Confident20 Ų2052.5 Ų52.514%0.1426%0.262CS..THydrogen-bonded Turntrans-10531.4-174.7-560000113.8Y1128 P1134 L1138 E1139 V1140Y1128-S1136 PolarHBondContact OH-OG 3.48Å; P1134-S1136 VanDerWaalsContact C-N 3.29Å; P1134-S1136 PolarHBondContact O-N 2.68Å; P1134-S1136 VanDerWaalsContact O-N 3.12Å; S1136-L1138 VanDerWaalsContact C-N 3.32Å; S1136-L1138 PolarHBondContact O-N 3.01Å; S1136-E1139 PolarHBondContact O-N 3.31Å; S1136-V1140 WeakPolarHBondContact O-CG2 3.35Å; S1136-V1140 PolarHBondContact O-N 3.48Å; S1136-V1140 VanDerWaalsContact O-N 3.11Å
1137Y71.6Confident73.4Confident49 Ų4951.1 Ų51.119%0.19226%0.258CS..Hα-helixtrans-61.2-32.1-172.266.8-98.3000114.7P1134 V1141 E1166 Y1168 I1169P1134-Y1137 WeakPolarHBondContact O-CD1 3.34Å; P1134-Y1137 PolarHBondContact O-N 3.13Å; Y1137-V1141 WeakPolarHBondContact O-CB 3.18Å; Y1137-V1141 WeakPolarHBondContact O-CG2 3.47Å; Y1137-V1141 PolarHBondContact O-N 3.3Å; Y1137-E1166 WeakPolarHBondContact CE1-OE2 3.46Å; Y1137-E1166 PolarHBondContact OH-OE2 3.21Å; Y1137-Y1168 HydrophobicContact CD2-CD1 4.23Å; Y1137-Y1168 AromaticContact CE2-CD1 3.95Å; Y1137-Y1168 HydrophobicContact CE2-CD1 3.95Å; Y1137-I1169 HydrophobicContact CD1-CD1 4.02Å; Y1137-I1169 HydrophobicContact CD2-CD1 4.21Å; Y1137-I1169 HydrophobicContact CD2-CG1 3.89Å; Y1137-I1169 HydrophobicContact CE1-CD1 4.31Å; Y1137-I1169 HydrophobicContact CE2-CG1 4.19Å; Y1137-I1169 HydrophobicContact CG-CD1 3.97Å; Y1137-I1169 HydrophobicContact CG-CG1 4.12Å
1138L75.8Confident73Confident78 Ų7856.5 Ų56.541%0.40829%0.286SS..Hα-helixtrans-67-44.7178.4-69.4175.4000112.1S1136 Q1142 Y1168S1136-L1138 VanDerWaalsContact C-N 3.32Å; S1136-L1138 PolarHBondContact O-N 3.01Å; L1138-Q1142 WeakPolarHBondContact O-CB 3.49Å; L1138-Q1142 VanDerWaalsContact O-CG 3.28Å; L1138-Q1142 WeakPolarHBondContact O-CG 3.21Å; L1138-Q1142 PolarHBondContact O-N 3.39Å; L1138-Y1168 HydrophobicContact CD2-CD1 3.77Å; L1138-Y1168 HydrophobicContact CD2-CE1 3.36Å
1139E73Confident72.7Confident98 Ų9858.1 Ų58.146%0.45830%0.295SS..Hα-helixtrans-70.3-40.2-179.6-65.8-175.3174.600111L1116 S1136 Q1142 S1143L1116-E1139 HydrophobicContact CD2-CB 4.18Å; S1136-E1139 PolarHBondContact O-N 3.31Å; E1139-Q1142 PolarHBondContact O-N 2.86Å; E1139-S1143 WeakPolarHBondContact O-CB 3.09Å; E1139-S1143 PolarHBondContact O-N 2.97Å; E1139-S1143 PolarHBondContact O-OG 2.94Å
1140V77.9Confident72.5Confident0 Ų056.9 Ų56.90%029%0.287CS..Hα-helixtrans-62.8-43.7175.21770000111.3L1116 I1125 Y1128 S1136 A1144 L1153 F1156L1116-V1140 HydrophobicContact CD1-CB 4.29Å; L1116-V1140 HydrophobicContact CD1-CG2 3.52Å; I1125-V1140 HydrophobicContact CD1-CG1 4.22Å; I1125-V1140 HydrophobicContact CG1-CG1 3.78Å; Y1128-V1140 HydrophobicContact CD2-CG2 3.88Å; Y1128-V1140 HydrophobicContact CE2-CG2 3.8Å; S1136-V1140 WeakPolarHBondContact O-CG2 3.35Å; S1136-V1140 PolarHBondContact O-N 3.48Å; S1136-V1140 VanDerWaalsContact O-N 3.11Å; V1140-A1144 WeakPolarHBondContact O-CB 3.42Å; V1140-A1144 PolarHBondContact O-N 3.4Å; V1140-L1153 HydrophobicContact CG1-CD1 4.05Å; V1140-F1156 HydrophobicContact CB-CD1 4.39Å; V1140-F1156 HydrophobicContact CB-CE1 3.95Å; V1140-F1156 HydrophobicContact CB-CZ 4.32Å; V1140-F1156 HydrophobicContact CG1-CD1 3.76Å; V1140-F1156 HydrophobicContact CG1-CE1 3.82Å; V1140-F1156 HydrophobicContact CG1-CG 4.23Å; V1140-F1156 HydrophobicContact CG1-CZ 4.35Å; V1140-F1156 HydrophobicContact CG2-CE1 4.29Å; V1140-F1156 HydrophobicContact CG2-CZ 4.14Å
1141V74.8Confident72.4Confident4 Ų456.9 Ų56.92%0.02429%0.292CS..Hα-helixtrans-65.4-41.8177.5169.90000111.5Y1137 S1145 L1153 L1157 E1172Y1137-V1141 WeakPolarHBondContact O-CB 3.18Å; Y1137-V1141 WeakPolarHBondContact O-CG2 3.47Å; Y1137-V1141 PolarHBondContact O-N 3.3Å; V1141-S1145 VanDerWaalsContact O-CB 3.24Å; V1141-S1145 WeakPolarHBondContact O-CB 3.21Å; V1141-S1145 PolarHBondContact O-N 3.33Å; V1141-S1145 PolarHBondContact O-OG 3.07Å; V1141-L1153 HydrophobicContact CG2-CD1 3.98Å; V1141-L1157 HydrophobicContact CG2-CD2 3.87Å; V1141-E1172 HydrophobicContact CG1-CB 4.46Å; V1141-E1172 HydrophobicContact CG1-CG 4.12Å
1142Q75.1Confident72.6Confident97 Ų9758 Ų5845%0.45330%0.297SS..Hα-helixtrans-68.3-42.1178.2-72.8179.115.100112.4L1138 E1139 S1145 R1146L1138-Q1142 WeakPolarHBondContact O-CB 3.49Å; L1138-Q1142 VanDerWaalsContact O-CG 3.28Å; L1138-Q1142 WeakPolarHBondContact O-CG 3.21Å; L1138-Q1142 PolarHBondContact O-N 3.39Å; E1139-Q1142 PolarHBondContact O-N 2.86Å; Q1142-S1145 WeakPolarHBondContact CA-OG 3.49Å; Q1142-S1145 PolarHBondContact O-OG 3.44Å; Q1142-R1146 VanDerWaalsContact O-CG 3.29Å; Q1142-R1146 WeakPolarHBondContact O-CG 3.2Å; Q1142-R1146 PolarHBondContact O-N 3.36Å; Q1142-R1146 VanDerWaalsContact O-N 3.16Å
1143S71.8Confident72.9Confident20 Ų2054.5 Ų54.514%0.1428%0.278CS..Hα-helixtrans-71.1-39.8178.2-65.90000112E1139 R1146 S1147E1139-S1143 WeakPolarHBondContact O-CB 3.09Å; E1139-S1143 PolarHBondContact O-N 2.97Å; E1139-S1143 PolarHBondContact O-OG 2.94Å; S1143-R1146 PolarHBondContact O-N 2.83Å; S1143-S1147 WeakPolarHBondContact O-CB 3.46Å; S1143-S1147 PolarHBondContact O-N 3.15Å; S1143-S1147 PolarHBondContact O-OG 2.92Å
1144A73.9Confident73.3Confident0 Ų052.6 Ų52.60%027%0.268CS..Hα-helixtrans-69-35.3176.700000113.5V1121 I1125 V1140 S1147 N1148 N1149 L1153V1121-A1144 HydrophobicContact CG1-CB 4.17Å; I1125-A1144 HydrophobicContact CD1-CB 4.17Å; V1140-A1144 WeakPolarHBondContact O-CB 3.42Å; V1140-A1144 PolarHBondContact O-N 3.4Å; A1144-S1147 PolarHBondContact O-N 3.28Å; A1144-S1147 PolarHBondContact O-OG 3.48Å; A1144-N1148 PolarHBondContact O-N 3.17Å; A1144-N1149 PolarHBondContact O-N 3.21Å; A1144-N1149 VanDerWaalsContact O-N 3.14Å; A1144-L1153 HydrophobicContact CB-CB 4.1Å; A1144-L1153 HydrophobicContact CB-CD1 3.91Å; A1144-L1153 HydrophobicContact CB-CD2 3.91Å; A1144-L1153 HydrophobicContact CB-CG 4.18Å
1145S70.9Confident73.9Confident45 Ų4555.6 Ų55.632%0.31528%0.278SS..Hα-helixtrans-68.7-35.4173.956.40000112.3V1141 Q1142 W1150V1141-S1145 VanDerWaalsContact O-CB 3.24Å; V1141-S1145 WeakPolarHBondContact O-CB 3.21Å; V1141-S1145 PolarHBondContact O-N 3.33Å; V1141-S1145 PolarHBondContact O-OG 3.07Å; Q1142-S1145 WeakPolarHBondContact CA-OG 3.49Å; Q1142-S1145 PolarHBondContact O-OG 3.44Å; S1145-W1150 VanDerWaalsContact CB-CH2 3.45Å
1146R74Confident74.4Confident204 Ų20452 Ų5277%0.7725%0.252SS*.Hα-helixtrans-67.5-37.6171.4-72.4174.3-174176.75.4112.7Q1142 S1143Q1142-R1146 VanDerWaalsContact O-CG 3.29Å; Q1142-R1146 WeakPolarHBondContact O-CG 3.2Å; Q1142-R1146 PolarHBondContact O-N 3.36Å; Q1142-R1146 VanDerWaalsContact O-N 3.16Å; S1143-R1146 PolarHBondContact O-N 2.83Å
1147S69.4Low74.8Confident45 Ų4551 Ų5132%0.31525%0.245SC..THydrogen-bonded Turntrans-90.23.1-177.4800000114.4S1143 A1144 N1149S1143-S1147 WeakPolarHBondContact O-CB 3.46Å; S1143-S1147 PolarHBondContact O-N 3.15Å; S1143-S1147 PolarHBondContact O-OG 2.92Å; A1144-S1147 PolarHBondContact O-N 3.28Å; A1144-S1147 PolarHBondContact O-OG 3.48Å; S1147-N1149 PolarHBondContact O-N 2.85Å; S1147-N1149 PolarHBondContact OG-ND2 3.33Å
1148N70.8Confident75.1Confident114 Ų11452.3 Ų52.361%0.6125%0.253SS*.THydrogen-bonded Turntrans54.725.7-176.5-92.5-26.4000115.8A1144 W1150A1144-N1148 PolarHBondContact O-N 3.17Å; N1148-W1150 PolarHBondContact O-N 2.73Å; N1148-W1150 PolarHBondContact OD1-NE1 2.69Å
1149N74.1Confident75.2Confident36 Ų3649.6 Ų49.619%0.19324%0.239CC..  trans-93.868.2-179.1-72-38.2000111.5K1122 A1144 S1147 L1153K1122-N1149 VanDerWaalsContact CE-CG 3.49Å; K1122-N1149 WeakPolarHBondContact CE-OD1 3.41Å; K1122-N1149 WeakPolarHBondContact CG-ND2 3.41Å; A1144-N1149 PolarHBondContact O-N 3.21Å; A1144-N1149 VanDerWaalsContact O-N 3.14Å; S1147-N1149 PolarHBondContact O-N 2.85Å; S1147-N1149 PolarHBondContact OG-ND2 3.33Å; N1149-L1153 WeakPolarHBondContact O-CB 3.28Å; N1149-L1153 PolarHBondContact O-N 2.95Å
1150W74.1Confident75.2Confident31 Ų3145 Ų4512%0.11722%0.217CC..Hα-helixtrans-75.3-29.1-173-6198.8000114.1S1145 N1148 L1153 V1154 F1175 A1176 K1179 T1180S1145-W1150 VanDerWaalsContact CB-CH2 3.45Å; N1148-W1150 PolarHBondContact O-N 2.73Å; N1148-W1150 PolarHBondContact OD1-NE1 2.69Å; W1150-L1153 HydrophobicContact CE3-CD2 3.83Å; W1150-L1153 HydrophobicContact CZ3-CD2 3.92Å; W1150-L1153 PolarHBondContact O-N 2.97Å; W1150-V1154 WeakPolarHBondContact O-CG2 3.29Å; W1150-V1154 PolarHBondContact O-N 3.26Å; W1150-F1175 HydrophobicContact CH2-CD1 4.33Å; W1150-F1175 HydrophobicContact CH2-CE1 4.01Å; W1150-F1175 HydrophobicContact CZ3-CD1 4.22Å; W1150-F1175 HydrophobicContact CZ3-CE1 4.33Å; W1150-A1176 HydrophobicContact CE3-CB 4.01Å; W1150-K1179 HydrophobicContact CD2-CB 4.42Å; W1150-K1179 HydrophobicContact CD2-CG 4.41Å; W1150-K1179 HydrophobicContact CG-CB 4.33Å; W1150-T1180 HydrophobicContact CB-CG2 3.83Å
1151E75.4Confident75Confident121 Ų12148.9 Ų48.957%0.56523%0.232SC*.Hα-helixtrans-68.5-42.5-178.1-66.3-172.2163.900113.6V1154 T1180E1151-V1154 PolarHBondContact O-N 3.47Å; E1151-T1180 HydrophobicContact CG-CG2 4.03Å
1152D74.7Confident75Confident27 Ų2757.8 Ų57.814%0.14427%0.27CS..Hα-helixtrans-76.5-30.6178.1-63.3-42000111.1I1125 V1154 K1155 F1156I1125-D1152 HydrophobicContact CD1-CB 4.42Å; I1125-D1152 HydrophobicContact CG2-CB 3.97Å; D1152-V1154 VanDerWaalsContact C-N 3.34Å; D1152-V1154 PolarHBondContact O-N 3.28Å; D1152-K1155 PolarHBondContact O-N 3.27Å; D1152-K1155 IonicContact OD1-NZ 2.72Å; D1152-K1155 PolarHBondContact OD1-NZ 2.65Å; D1152-F1156 PolarHBondContact O-N 3.03Å; D1152-F1156 VanDerWaalsContact O-N 3.07Å
1153L78.6Confident74.5Confident1 Ų158.6 Ų58.61%0.00527%0.272CS..Hα-helixtrans-62.1-39.8171.5-175.664.1000112V1140 V1141 A1144 N1149 W1150 K1155 F1156 L1157V1140-L1153 HydrophobicContact CG1-CD1 4.05Å; V1141-L1153 HydrophobicContact CG2-CD1 3.98Å; A1144-L1153 HydrophobicContact CB-CB 4.1Å; A1144-L1153 HydrophobicContact CB-CD1 3.91Å; A1144-L1153 HydrophobicContact CB-CD2 3.91Å; A1144-L1153 HydrophobicContact CB-CG 4.18Å; N1149-L1153 WeakPolarHBondContact O-CB 3.28Å; N1149-L1153 PolarHBondContact O-N 2.95Å; W1150-L1153 HydrophobicContact CE3-CD2 3.83Å; W1150-L1153 HydrophobicContact CZ3-CD2 3.92Å; W1150-L1153 PolarHBondContact O-N 2.97Å; L1153-K1155 VanDerWaalsContact C-N 3.31Å; L1153-K1155 PolarHBondContact O-N 2.92Å; L1153-F1156 HydrophobicContact CD1-CD1 4.45Å; L1153-F1156 PolarHBondContact O-N 2.94Å; L1153-L1157 HydrophobicContact CD1-CD1 4.21Å; L1153-L1157 HydrophobicContact CD1-CG 4.14Å; L1153-L1157 HydrophobicContact CD2-CD1 4.32Å; L1153-L1157 HydrophobicContact CG-CD1 3.82Å; L1153-L1157 HydrophobicContact CG-CG 4.19Å; L1153-L1157 WeakPolarHBondContact O-CB 3.4Å; L1153-L1157 VanDerWaalsContact O-CG 3.29Å; L1153-L1157 WeakPolarHBondContact O-CG 3.48Å; L1153-L1157 PolarHBondContact O-N 3.27Å
1154V78.8Confident74Confident1 Ų159 Ų591%0.00628%0.28CS..Hα-helixtrans-59.2-42.9174.7168.70000110.9W1150 E1151 D1152 L1157 Q1158 L1173 A1176 L1177 T1180W1150-V1154 WeakPolarHBondContact O-CG2 3.29Å; W1150-V1154 PolarHBondContact O-N 3.26Å; E1151-V1154 PolarHBondContact O-N 3.47Å; D1152-V1154 VanDerWaalsContact C-N 3.34Å; D1152-V1154 PolarHBondContact O-N 3.28Å; V1154-L1157 PolarHBondContact O-N 3.22Å; V1154-Q1158 HydrophobicContact CG1-CG 4.37Å; V1154-Q1158 WeakPolarHBondContact O-CB 3.3Å; V1154-Q1158 VanDerWaalsContact O-CG 3.24Å; V1154-Q1158 WeakPolarHBondContact O-CG 3.15Å; V1154-Q1158 PolarHBondContact O-N 3.11Å; V1154-L1173 HydrophobicContact CG1-CD1 4.23Å; V1154-A1176 HydrophobicContact CG2-CB 3.71Å; V1154-L1177 HydrophobicContact CG1-CD2 3.81Å; V1154-L1177 HydrophobicContact CG2-CD2 4.35Å; V1154-T1180 HydrophobicContact CG2-CG2 4.47Å
1155K79.2Confident73.4Confident100 Ų10067.3 Ų67.344%0.43531%0.311SS..Hα-helixtrans-63.8-43.1177.9-61.8172.7-166.7153.10111.7I1129 D1152 L1153 Q1158 M1159I1129-K1155 HydrophobicContact CD1-CB 4.04Å; D1152-K1155 PolarHBondContact O-N 3.27Å; D1152-K1155 IonicContact OD1-NZ 2.72Å; D1152-K1155 PolarHBondContact OD1-NZ 2.65Å; L1153-K1155 VanDerWaalsContact C-N 3.31Å; L1153-K1155 PolarHBondContact O-N 2.92Å; K1155-Q1158 PolarHBondContact O-N 3.5Å; K1155-M1159 PolarHBondContact O-N 3.28Å
1156F79.8Confident73.5Confident0 Ų069.2 Ų69.20%032%0.315CS..Hα-helixtrans-64.2-46.1176.5176-98.5000112.2I1125 Y1128 I1129 V1140 D1152 L1153 Q1158 M1159 A1160I1125-F1156 HydrophobicContact CG2-CB 4Å; Y1128-F1156 HydrophobicContact CG-CE2 4.22Å; I1129-F1156 HydrophobicContact CD1-CB 4.4Å; I1129-F1156 HydrophobicContact CG1-CB 4.37Å; I1129-F1156 HydrophobicContact CG1-CD2 4.38Å; V1140-F1156 HydrophobicContact CB-CD1 4.39Å; V1140-F1156 HydrophobicContact CB-CE1 3.95Å; V1140-F1156 HydrophobicContact CB-CZ 4.32Å; V1140-F1156 HydrophobicContact CG1-CD1 3.76Å; V1140-F1156 HydrophobicContact CG1-CE1 3.82Å; V1140-F1156 HydrophobicContact CG1-CG 4.23Å; V1140-F1156 HydrophobicContact CG1-CZ 4.35Å; V1140-F1156 HydrophobicContact CG2-CE1 4.29Å; V1140-F1156 HydrophobicContact CG2-CZ 4.14Å; D1152-F1156 PolarHBondContact O-N 3.03Å; D1152-F1156 VanDerWaalsContact O-N 3.07Å; L1153-F1156 HydrophobicContact CD1-CD1 4.45Å; L1153-F1156 PolarHBondContact O-N 2.94Å; F1156-Q1158 VanDerWaalsContact C-N 3.32Å; F1156-Q1158 PolarHBondContact O-N 3.11Å; F1156-M1159 HydrophobicContact CD2-CE 3.8Å; F1156-M1159 HydrophobicContact CE2-CE 3.74Å; F1156-M1159 WeakPolarHBondContact O-CB 3.47Å; F1156-M1159 PolarHBondContact O-N 3.35Å; F1156-A1160 WeakPolarHBondContact O-CB 3.45Å; F1156-A1160 PolarHBondContact O-N 3.07Å
1157L77.1Confident73.5Confident0 Ų061.4 Ų61.40%029%0.292CS..Hα-helixtrans-66.7-32177.9-68.5174000112.3V1141 L1153 V1154 R1161 I1169 E1172 L1173V1141-L1157 HydrophobicContact CG2-CD2 3.87Å; L1153-L1157 HydrophobicContact CD1-CD1 4.21Å; L1153-L1157 HydrophobicContact CD1-CG 4.14Å; L1153-L1157 HydrophobicContact CD2-CD1 4.32Å; L1153-L1157 HydrophobicContact CG-CD1 3.82Å; L1153-L1157 HydrophobicContact CG-CG 4.19Å; L1153-L1157 WeakPolarHBondContact O-CB 3.4Å; L1153-L1157 VanDerWaalsContact O-CG 3.29Å; L1153-L1157 WeakPolarHBondContact O-CG 3.48Å; L1153-L1157 PolarHBondContact O-N 3.27Å; V1154-L1157 PolarHBondContact O-N 3.22Å; L1157-R1161 VanDerWaalsContact O-CB 3.32Å; L1157-R1161 WeakPolarHBondContact O-CB 3.01Å; L1157-R1161 PolarHBondContact O-N 3.47Å; L1157-I1169 HydrophobicContact CD2-CG2 3.89Å; L1157-E1172 HydrophobicContact CD1-CB 4.49Å; L1157-L1173 HydrophobicContact CB-CB 4.28Å; L1157-L1173 HydrophobicContact CB-CD1 3.86Å; L1157-L1173 HydrophobicContact CD1-CB 4.3Å
1158Q77.8Confident73.8Confident76 Ų7663.7 Ų63.736%0.35529%0.294SS..Hα-helixtrans-68.1-38.8171.4-76.9178.2-4.900112.6V1154 K1155 F1156 K1162 L1173V1154-Q1158 HydrophobicContact CG1-CG 4.37Å; V1154-Q1158 WeakPolarHBondContact O-CB 3.3Å; V1154-Q1158 VanDerWaalsContact O-CG 3.24Å; V1154-Q1158 WeakPolarHBondContact O-CG 3.15Å; V1154-Q1158 PolarHBondContact O-N 3.11Å; K1155-Q1158 PolarHBondContact O-N 3.5Å; F1156-Q1158 VanDerWaalsContact C-N 3.32Å; F1156-Q1158 PolarHBondContact O-N 3.11Å; Q1158-K1162 PolarHBondContact O-N 3.45Å; Q1158-L1173 HydrophobicContact CG-CD1 4.18Å
1159M79.1Confident74.1Confident21 Ų2158.6 Ų58.610%0.10327%0.267CS..Hα-helixtrans-62.7-50.8170.7176.6-79.9-76.100110.4D1132 K1155 F1156 R1161 K1162D1132-M1159 WeakPolarHBondContact OD1-CG 3.47Å; K1155-M1159 PolarHBondContact O-N 3.28Å; F1156-M1159 HydrophobicContact CD2-CE 3.8Å; F1156-M1159 HydrophobicContact CE2-CE 3.74Å; F1156-M1159 WeakPolarHBondContact O-CB 3.47Å; F1156-M1159 PolarHBondContact O-N 3.35Å; M1159-R1161 VanDerWaalsContact C-N 3.29Å; M1159-R1161 PolarHBondContact O-N 2.87Å; M1159-K1162 WeakPolarHBondContact O-CB 3.25Å; M1159-K1162 PolarHBondContact O-N 3.2Å
1160A72Confident74.2Confident1 Ų157 Ų571%0.00826%0.258CS..Hα-helixtrans-59.3-39.1-179.300000112.2P1134 F1156 K1162 K1163 G1164 I1169P1134-A1160 HydrophobicContact CB-CB 4.1Å; F1156-A1160 WeakPolarHBondContact O-CB 3.45Å; F1156-A1160 PolarHBondContact O-N 3.07Å; A1160-K1162 VanDerWaalsContact C-N 3.31Å; A1160-K1162 PolarHBondContact O-N 3.42Å; A1160-K1163 PolarHBondContact O-N 2.86Å; A1160-K1163 VanDerWaalsContact O-N 3.11Å; A1160-G1164 PolarHBondContact O-N 2.87Å; A1160-I1169 HydrophobicContact CB-CD1 4.26Å; A1160-I1169 HydrophobicContact CB-CG2 4.3Å
1161R73.7Confident74.5Confident82 Ų8256 Ų5631%0.30926%0.256SS..Hα-helixtrans-60.6-34.7175-175.5-176.7-179.6-148.63.2113.5L1157 M1159 K1163 E1170 F1189L1157-R1161 VanDerWaalsContact O-CB 3.32Å; L1157-R1161 WeakPolarHBondContact O-CB 3.01Å; L1157-R1161 PolarHBondContact O-N 3.47Å; M1159-R1161 VanDerWaalsContact C-N 3.29Å; M1159-R1161 PolarHBondContact O-N 2.87Å; R1161-K1163 PolarHBondContact O-N 3.43Å; R1161-E1170 IonicContact NE-OE1 3.62Å; R1161-E1170 PolarHBondContact NE-OE1 3.15Å; R1161-F1189 VanDerWaalsContact NH1-CE2 3.29Å
1162K74.1Confident74.6Confident191 Ų19151 Ų5183%0.8323%0.232SC*.Hα-helixtrans-66.3-28.2177.6-72.9179.8-179.6177.30111.9Q1158 M1159 A1160Q1158-K1162 PolarHBondContact O-N 3.45Å; M1159-K1162 WeakPolarHBondContact O-CB 3.25Å; M1159-K1162 PolarHBondContact O-N 3.2Å; A1160-K1162 VanDerWaalsContact C-N 3.31Å; A1160-K1162 PolarHBondContact O-N 3.42Å
1163K64.8Low74.8Confident114 Ų11449.9 Ų49.950%0.49623%0.226SC..Hα-helixtrans-94.7-28.5179.9-69.6-167174.1-171.40114D1132 P1134 A1160 R1161D1132-K1163 PolarHBondContact O-NZ 3.18Å; D1132-K1163 VanDerWaalsContact OD1-CE 3.25Å; D1132-K1163 WeakPolarHBondContact OD1-CE 2.98Å; D1132-K1163 IonicContact OD1-NZ 2.76Å; D1132-K1163 PolarHBondContact OD1-NZ 2.67Å; D1132-K1163 WeakPolarHBondContact OD2-CE 3.4Å; D1132-K1163 IonicContact OD2-NZ 3.56Å; D1132-K1163 PolarHBondContact OD2-NZ 3.39Å; P1134-K1163 HydrophobicContact CG-CB 4.46Å; P1134-K1163 HydrophobicContact CG-CD 4.39Å; A1160-K1163 PolarHBondContact O-N 2.86Å; A1160-K1163 VanDerWaalsContact O-N 3.11Å; R1161-K1163 PolarHBondContact O-N 3.43Å
1164G61.5Low74.7Confident29 Ų2949.8 Ų49.830%0.29923%0.226SC..  trans-153.8131177.800000113.3A1160 E1166A1160-G1164 PolarHBondContact O-N 2.87Å; G1164-E1166 PolarHBondContact O-N 2.56Å
1165R62.5Low74.7Confident175 Ų17549.9 Ų49.966%0.6623%0.226SC*.  trans-91.867.5177.5-65.1-172.9-175.7-176.70.7111.3
1166E71.6Confident74.6Confident85 Ų8545.1 Ų45.140%0.39721%0.205SC..  trans-86.1137.5176.7-65-170.9174.500112Y1137 G1164 Y1168 I1169 E1170Y1137-E1166 WeakPolarHBondContact CE1-OE2 3.46Å; Y1137-E1166 PolarHBondContact OH-OE2 3.21Å; G1164-E1166 PolarHBondContact O-N 2.56Å; E1166-Y1168 VanDerWaalsContact C-N 3.27Å; E1166-Y1168 PolarHBondContact O-N 3.13Å; E1166-I1169 HydrophobicContact CB-CB 4.48Å; E1166-I1169 HydrophobicContact CB-CD1 4.09Å; E1166-I1169 HydrophobicContact CB-CG1 4.19Å; E1166-I1169 HydrophobicContact CG-CD1 4.49Å; E1166-I1169 PolarHBondContact O-N 3.16Å; E1166-E1170 PolarHBondContact O-N 3.37Å; E1166-E1170 VanDerWaalsContact O-N 3.11Å
1167S75Confident74.4Confident40 Ų4045.2 Ų45.228%0.2821%0.206SC..Hα-helixtrans-59.3-35.4-177.2-177.90000113T1171 N1195S1167-T1171 VanDerWaalsContact O-CB 3.28Å; S1167-T1171 WeakPolarHBondContact O-CB 3.32Å; S1167-T1171 PolarHBondContact O-N 3.47Å; S1167-T1171 PolarHBondContact O-OG1 3.49Å; S1167-N1195 VanDerWaalsContact CB-O 3.3Å; S1167-N1195 WeakPolarHBondContact CB-O 3.26Å; S1167-N1195 PolarHBondContact OG-O 2.97Å
1168Y76.1Confident74.3Confident93 Ų9345.6 Ų45.637%0.36521%0.209SC..Hα-helixtrans-68.8-45.2179.1-173.7-92.9000112.4Y1137 L1138 E1166 E1170 T1171 E1172Y1137-Y1168 HydrophobicContact CD2-CD1 4.23Å; Y1137-Y1168 AromaticContact CE2-CD1 3.95Å; Y1137-Y1168 HydrophobicContact CE2-CD1 3.95Å; L1138-Y1168 HydrophobicContact CD2-CD1 3.77Å; L1138-Y1168 HydrophobicContact CD2-CE1 3.36Å; E1166-Y1168 VanDerWaalsContact C-N 3.27Å; E1166-Y1168 PolarHBondContact O-N 3.13Å; Y1168-E1170 VanDerWaalsContact C-N 3.34Å; Y1168-E1170 PolarHBondContact O-N 3.26Å; Y1168-T1171 PolarHBondContact O-N 3.49Å; Y1168-E1172 HydrophobicContact CD1-CG 4.46Å; Y1168-E1172 HydrophobicContact CE1-CG 3.98Å; Y1168-E1172 PolarHBondContact O-N 3.42Å
1169I76.3Confident74Confident6 Ų645.5 Ų45.53%0.03121%0.207CC..Hα-helixtrans-62.3-42.9177.6-62.1177.5000110.1Y1137 L1157 A1160 E1166 L1173Y1137-I1169 HydrophobicContact CD1-CD1 4.02Å; Y1137-I1169 HydrophobicContact CD2-CD1 4.21Å; Y1137-I1169 HydrophobicContact CD2-CG1 3.89Å; Y1137-I1169 HydrophobicContact CE1-CD1 4.31Å; Y1137-I1169 HydrophobicContact CE2-CG1 4.19Å; Y1137-I1169 HydrophobicContact CG-CD1 3.97Å; Y1137-I1169 HydrophobicContact CG-CG1 4.12Å; L1157-I1169 HydrophobicContact CD2-CG2 3.89Å; A1160-I1169 HydrophobicContact CB-CD1 4.26Å; A1160-I1169 HydrophobicContact CB-CG2 4.3Å; E1166-I1169 HydrophobicContact CB-CB 4.48Å; E1166-I1169 HydrophobicContact CB-CD1 4.09Å; E1166-I1169 HydrophobicContact CB-CG1 4.19Å; E1166-I1169 HydrophobicContact CG-CD1 4.49Å; E1166-I1169 PolarHBondContact O-N 3.16Å; I1169-L1173 WeakPolarHBondContact O-CB 3.43Å; I1169-L1173 PolarHBondContact O-N 3.43Å
1170E77.3Confident73.7Confident3 Ų345.9 Ų45.91%0.01421%0.211CC..Hα-helixtrans-68.8-36.5177.3-66.7-167.615500112.5R1161 E1166 Y1168 L1173 I1174 F1189 N1195 A1196R1161-E1170 IonicContact NE-OE1 3.62Å; R1161-E1170 PolarHBondContact NE-OE1 3.15Å; E1166-E1170 PolarHBondContact O-N 3.37Å; E1166-E1170 VanDerWaalsContact O-N 3.11Å; Y1168-E1170 VanDerWaalsContact C-N 3.34Å; Y1168-E1170 PolarHBondContact O-N 3.26Å; E1170-L1173 PolarHBondContact O-N 3.02Å; E1170-I1174 VanDerWaalsContact O-CG1 3.3Å; E1170-I1174 WeakPolarHBondContact O-CG1 3.5Å; E1170-I1174 PolarHBondContact O-N 3.2Å; E1170-I1174 VanDerWaalsContact O-N 3.08Å; E1170-F1189 HydrophobicContact CB-CZ 4.02Å; E1170-F1189 HydrophobicContact CG-CZ 4.14Å; E1170-N1195 PolarHBondContact OE2-N 3.23Å; E1170-A1196 HydrophobicContact CB-CB 3.95Å
1171T79.3Confident73.5Confident11 Ų1150.5 Ų50.57%0.06724%0.243CC..Hα-helixtrans-66.6-45.7177.5-590000111.8S1167 Y1168 F1175 H1197 V1201S1167-T1171 VanDerWaalsContact O-CB 3.28Å; S1167-T1171 WeakPolarHBondContact O-CB 3.32Å; S1167-T1171 PolarHBondContact O-N 3.47Å; S1167-T1171 PolarHBondContact O-OG1 3.49Å; Y1168-T1171 PolarHBondContact O-N 3.49Å; T1171-F1175 PolarHBondContact O-N 3.27Å; T1171-H1197 HydrophobicContact CG2-CB 4.3Å; T1171-H1197 PolarHBondContact OG1-N 2.91Å; T1171-H1197 VanDerWaalsContact OG1-N 3.08Å; T1171-V1201 HydrophobicContact CG2-CG2 3.49Å; T1171-V1201 VanDerWaalsContact CG2-CG2 3.49Å; T1171-V1201 WeakPolarHBondContact O-CG2 3.43Å
1172E77.7Confident73.5Confident16 Ų1650.4 Ų50.48%0.07524%0.243CC..Hα-helixtrans-72.8-28.6176.4-72.7-64.7146.500112.5V1141 L1157 Y1168 F1175 A1176 R1204V1141-E1172 HydrophobicContact CG1-CB 4.46Å; V1141-E1172 HydrophobicContact CG1-CG 4.12Å; L1157-E1172 HydrophobicContact CD1-CB 4.49Å; Y1168-E1172 HydrophobicContact CD1-CG 4.46Å; Y1168-E1172 HydrophobicContact CE1-CG 3.98Å; Y1168-E1172 PolarHBondContact O-N 3.42Å; E1172-F1175 PolarHBondContact O-N 2.92Å; E1172-A1176 VanDerWaalsContact O-CB 3.3Å; E1172-A1176 WeakPolarHBondContact O-CB 3.3Å; E1172-A1176 PolarHBondContact O-N 3.45Å; E1172-R1204 IonicContact OE1-CZ 2.63Å; E1172-R1204 IonicContact OE1-NH1 3.18Å; E1172-R1204 PolarHBondContact OE1-NH1 3.31Å; E1172-R1204 IonicContact OE1-NH2 3.07Å; E1172-R1204 IonicContact OE2-NH1 3.78Å; E1172-R1204 IonicContact OE2-NH2 3.25Å
1173L78.3Confident73.2Confident2 Ų243.5 Ų43.51%0.0122%0.216CC..Hα-helixtrans-65.9-43.3172.6178.562.7000111.9V1154 L1157 Q1158 I1169 E1170 F1175 A1176 L1177 F1189V1154-L1173 HydrophobicContact CG1-CD1 4.23Å; L1157-L1173 HydrophobicContact CB-CB 4.28Å; L1157-L1173 HydrophobicContact CB-CD1 3.86Å; L1157-L1173 HydrophobicContact CD1-CB 4.3Å; Q1158-L1173 HydrophobicContact CG-CD1 4.18Å; I1169-L1173 WeakPolarHBondContact O-CB 3.43Å; I1169-L1173 PolarHBondContact O-N 3.43Å; E1170-L1173 PolarHBondContact O-N 3.02Å; L1173-F1175 VanDerWaalsContact C-N 3.29Å; L1173-F1175 PolarHBondContact O-N 3.4Å; L1173-A1176 PolarHBondContact O-N 3.35Å; L1173-L1177 HydrophobicContact CD1-CD1 4.2Å; L1173-L1177 HydrophobicContact CD1-CG 4.19Å; L1173-L1177 HydrophobicContact CG-CD1 4.06Å; L1173-L1177 HydrophobicContact CG-CG 4.49Å; L1173-L1177 WeakPolarHBondContact O-CB 3.45Å; L1173-L1177 VanDerWaalsContact O-CG 3.25Å; L1173-L1177 WeakPolarHBondContact O-CG 2.81Å; L1173-L1177 PolarHBondContact O-N 3.22Å; L1173-F1189 HydrophobicContact CD2-CD2 4.5Å; L1173-F1189 HydrophobicContact CD2-CE2 3.8Å; L1173-F1189 HydrophobicContact CD2-CZ 4.38Å
1174I77.4Confident73.3Confident0 Ų041.9 Ų41.90%022%0.219CC..Hα-helixtrans-59.5-43.4173.8-65.4171.6000110E1170 L1177 A1178 L1186 F1189 A1196 I1198 V1201 L1217E1170-I1174 VanDerWaalsContact O-CG1 3.3Å; E1170-I1174 WeakPolarHBondContact O-CG1 3.5Å; E1170-I1174 PolarHBondContact O-N 3.2Å; E1170-I1174 VanDerWaalsContact O-N 3.08Å; I1174-L1177 PolarHBondContact O-N 2.95Å; I1174-A1178 WeakPolarHBondContact O-CB 3.4Å; I1174-A1178 PolarHBondContact O-N 3.45Å; I1174-L1186 HydrophobicContact CB-CD1 4.39Å; I1174-L1186 HydrophobicContact CG2-CD1 3.62Å; I1174-L1186 WeakPolarHBondContact O-CD1 3.49Å; I1174-F1189 HydrophobicContact CD1-CD1 3.99Å; I1174-F1189 HydrophobicContact CD1-CE1 3.65Å; I1174-F1189 HydrophobicContact CG1-CD1 3.59Å; I1174-F1189 HydrophobicContact CG1-CE1 3.41Å; I1174-F1189 VanDerWaalsContact CG1-CE1 3.41Å; I1174-F1189 HydrophobicContact CG1-CZ 4.29Å; I1174-A1196 HydrophobicContact CD1-CB 3.41Å; I1174-A1196 VanDerWaalsContact CD1-CB 3.41Å; I1174-I1198 HydrophobicContact CD1-CG1 4.39Å; I1174-V1201 HydrophobicContact CB-CG1 4.23Å; I1174-V1201 HydrophobicContact CG2-CB 4.27Å; I1174-V1201 HydrophobicContact CG2-CG1 3.64Å; I1174-L1217 HydrophobicContact CG2-CD1 4.47Å; I1174-L1217 HydrophobicContact CG2-CD2 3.67Å
1175F78.5Confident73.7Confident2 Ų244.1 Ų44.11%0.00922%0.222CC..Hα-helixtrans-66.1-42.9179.1-174-105.4000112.3W1150 T1171 E1172 L1173 A1178 K1179 V1201 R1204 M1210W1150-F1175 HydrophobicContact CH2-CD1 4.33Å; W1150-F1175 HydrophobicContact CH2-CE1 4.01Å; W1150-F1175 HydrophobicContact CZ3-CD1 4.22Å; W1150-F1175 HydrophobicContact CZ3-CE1 4.33Å; T1171-F1175 PolarHBondContact O-N 3.27Å; E1172-F1175 PolarHBondContact O-N 2.92Å; L1173-F1175 VanDerWaalsContact C-N 3.29Å; L1173-F1175 PolarHBondContact O-N 3.4Å; F1175-A1178 PolarHBondContact O-N 2.84Å; F1175-K1179 HydrophobicContact CE1-CG 4.28Å; F1175-K1179 HydrophobicContact CZ-CG 4.45Å; F1175-K1179 PolarHBondContact O-N 3.32Å; F1175-V1201 HydrophobicContact CB-CG1 3.93Å; F1175-V1201 HydrophobicContact CD2-CG1 4.15Å; F1175-R1204 HydrophobicContact CD2-CB 4.15Å; F1175-R1204 HydrophobicContact CE2-CB 3.79Å; F1175-M1210 HydrophobicContact CE2-CE 4.05Å; F1175-M1210 HydrophobicContact CZ-CE 4.43Å
1176A76.8Confident74.2Confident0 Ų035.9 Ų35.90%019%0.191CC..Hα-helixtrans-66.6-35.4176.700000112.8W1150 V1154 E1172 L1173 K1179 T1180W1150-A1176 HydrophobicContact CE3-CB 4.01Å; V1154-A1176 HydrophobicContact CG2-CB 3.71Å; E1172-A1176 VanDerWaalsContact O-CB 3.3Å; E1172-A1176 WeakPolarHBondContact O-CB 3.3Å; E1172-A1176 PolarHBondContact O-N 3.45Å; L1173-A1176 PolarHBondContact O-N 3.35Å; A1176-K1179 PolarHBondContact O-N 3.08Å; A1176-T1180 WeakPolarHBondContact O-CG2 3.43Å; A1176-T1180 PolarHBondContact O-N 3.08Å; A1176-T1180 VanDerWaalsContact O-N 3.14Å; A1176-T1180 PolarHBondContact O-OG1 3.03Å
1177L76.7Confident74.1Confident3 Ų335.6 Ų35.62%0.01619%0.189CC..Hα-helixtrans-67.1-38172.5-73.7170.3000112.1V1154 L1173 I1174 T1180 S1181 R1182 E1185 L1186V1154-L1177 HydrophobicContact CG1-CD2 3.81Å; V1154-L1177 HydrophobicContact CG2-CD2 4.35Å; L1173-L1177 HydrophobicContact CD1-CD1 4.2Å; L1173-L1177 HydrophobicContact CD1-CG 4.19Å; L1173-L1177 HydrophobicContact CG-CD1 4.06Å; L1173-L1177 HydrophobicContact CG-CG 4.49Å; L1173-L1177 WeakPolarHBondContact O-CB 3.45Å; L1173-L1177 VanDerWaalsContact O-CG 3.25Å; L1173-L1177 WeakPolarHBondContact O-CG 2.81Å; L1173-L1177 PolarHBondContact O-N 3.22Å; I1174-L1177 PolarHBondContact O-N 2.95Å; L1177-T1180 WeakPolarHBondContact CA-OG1 3.3Å; L1177-T1180 PolarHBondContact O-N 2.81Å; L1177-T1180 PolarHBondContact O-OG1 2.91Å; L1177-S1181 PolarHBondContact O-N 3.35Å; L1177-R1182 HydrophobicContact CD2-CB 4.32Å; L1177-R1182 PolarHBondContact O-N 3.44Å; L1177-E1185 HydrophobicContact CD2-CB 4.33Å; L1177-L1186 HydrophobicContact CB-CD1 3.96Å
1178A73.1Confident74Confident7 Ų739.5 Ų39.56%0.05821%0.207CC..Hα-helixtrans-65.2-42.517400000112I1174 F1175 T1180 S1181 A1213I1174-A1178 WeakPolarHBondContact O-CB 3.4Å; I1174-A1178 PolarHBondContact O-N 3.45Å; F1175-A1178 PolarHBondContact O-N 2.84Å; A1178-T1180 VanDerWaalsContact C-N 3.32Å; A1178-T1180 PolarHBondContact O-N 2.72Å; A1178-S1181 PolarHBondContact O-N 3.43Å; A1178-A1213 HydrophobicContact CB-CB 3.84Å
1179K73.1Confident73.8Confident75 Ų7535.8 Ų35.833%0.32619%0.193SC..Hα-helixtrans-62.1-32.8175.4-94.3-83.2-179.9-174.40114.4W1150 F1175 A1176 S1181 E1208 M1210W1150-K1179 HydrophobicContact CD2-CB 4.42Å; W1150-K1179 HydrophobicContact CD2-CG 4.41Å; W1150-K1179 HydrophobicContact CG-CB 4.33Å; F1175-K1179 HydrophobicContact CE1-CG 4.28Å; F1175-K1179 HydrophobicContact CZ-CG 4.45Å; F1175-K1179 PolarHBondContact O-N 3.32Å; A1176-K1179 PolarHBondContact O-N 3.08Å; K1179-S1181 VanDerWaalsContact C-N 3.33Å; K1179-E1208 WeakPolarHBondContact CE-OE2 3.49Å; K1179-E1208 IonicContact NZ-OE2 3.44Å; K1179-E1208 PolarHBondContact NZ-OE2 3.23Å; K1179-M1210 HydrophobicContact CD-CE 4.48Å; K1179-M1210 HydrophobicContact CD-SD 4.33Å; K1179-M1210 HydrophobicContact CG-CE 4.18Å; K1179-M1210 HydrophobicContact CG-SD 4.22Å
1180T71.7Confident73.6Confident28 Ų2835.9 Ų35.917%0.17219%0.194CC..THydrogen-bonded Turntrans-91.37.7-178.551.30000113.3W1150 E1151 V1154 A1176 L1177 A1178 R1182W1150-T1180 HydrophobicContact CB-CG2 3.83Å; E1151-T1180 HydrophobicContact CG-CG2 4.03Å; V1154-T1180 HydrophobicContact CG2-CG2 4.47Å; A1176-T1180 WeakPolarHBondContact O-CG2 3.43Å; A1176-T1180 PolarHBondContact O-N 3.08Å; A1176-T1180 VanDerWaalsContact O-N 3.14Å; A1176-T1180 PolarHBondContact O-OG1 3.03Å; L1177-T1180 WeakPolarHBondContact CA-OG1 3.3Å; L1177-T1180 PolarHBondContact O-N 2.81Å; L1177-T1180 PolarHBondContact O-OG1 2.91Å; A1178-T1180 VanDerWaalsContact C-N 3.32Å; A1178-T1180 PolarHBondContact O-N 2.72Å; T1180-R1182 PolarHBondContact O-N 3.5Å
1181S69.1Low73.3Confident98 Ų9841.8 Ų41.869%0.68523%0.225SC*.THydrogen-bonded Turntrans57.125.9179.1-530000114.8L1177 A1178 K1179 V1183L1177-S1181 PolarHBondContact O-N 3.35Å; A1178-S1181 PolarHBondContact O-N 3.43Å; K1179-S1181 VanDerWaalsContact C-N 3.33Å; S1181-V1183 VanDerWaalsContact C-N 3.3Å; S1181-V1183 PolarHBondContact O-N 3.45Å; S1181-V1183 VanDerWaalsContact O-N 3.1Å
1182R72.9Confident72.9Confident81 Ų8142.7 Ų42.731%0.30624%0.237SC..  trans-87.767.4176.5-63.7-171.2-174.9-172.13.2111.3L1177 T1180 S1184 E1185 L1186L1177-R1182 HydrophobicContact CD2-CB 4.32Å; L1177-R1182 PolarHBondContact O-N 3.44Å; T1180-R1182 PolarHBondContact O-N 3.5Å; R1182-S1184 VanDerWaalsContact C-N 3.32Å; R1182-S1184 PolarHBondContact O-N 3.47Å; R1182-E1185 HydrophobicContact CB-CB 4.37Å; R1182-E1185 WeakPolarHBondContact CD-OE2 3.25Å; R1182-E1185 IonicContact NH1-OE1 3.97Å; R1182-E1185 IonicContact NH1-OE2 3.7Å; R1182-E1185 PolarHBondContact O-N 3.26Å; R1182-L1186 PolarHBondContact O-N 3.01Å; R1182-L1186 VanDerWaalsContact O-N 3.13Å
1183V67Low72.3Confident46 Ų4647.2 Ų47.228%0.27927%0.267SS..Hα-helixtrans-63.5-34.1-170.5-172.60000112.8S1181 L1186 E1187 L1216S1181-V1183 VanDerWaalsContact C-N 3.3Å; S1181-V1183 PolarHBondContact O-N 3.45Å; S1181-V1183 VanDerWaalsContact O-N 3.1Å; V1183-L1186 WeakPolarHBondContact O-CB 3.38Å; V1183-L1186 PolarHBondContact O-N 3.08Å; V1183-E1187 WeakPolarHBondContact O-CG 3.33Å; V1183-E1187 PolarHBondContact O-N 3.41Å; V1183-L1216 HydrophobicContact CG1-CD1 3.3Å
1184S68.6Low71.9Confident79 Ų7949 Ų4955%0.55228%0.277SS*.Hα-helixtrans-68.5-44.5177.755.10000113.2R1182 L1186 E1187 D1188R1182-S1184 VanDerWaalsContact C-N 3.32Å; R1182-S1184 PolarHBondContact O-N 3.47Å; S1184-L1186 VanDerWaalsContact C-N 3.26Å; S1184-L1186 PolarHBondContact O-N 3.44Å; S1184-E1187 PolarHBondContact O-N 3.46Å; S1184-D1188 PolarHBondContact O-N 3.46Å
1185E69Low71.6Confident77 Ų7754.1 Ų54.136%0.3631%0.305SS..Hα-helixtrans-66.1-32.5176.6-68.2178.2-162.300111.2L1177 R1182 F1189L1177-E1185 HydrophobicContact CD2-CB 4.33Å; R1182-E1185 HydrophobicContact CB-CB 4.37Å; R1182-E1185 WeakPolarHBondContact CD-OE2 3.25Å; R1182-E1185 IonicContact NH1-OE1 3.97Å; R1182-E1185 IonicContact NH1-OE2 3.7Å; R1182-E1185 PolarHBondContact O-N 3.26Å; E1185-F1189 VanDerWaalsContact O-CB 3.23Å; E1185-F1189 WeakPolarHBondContact O-CB 3.24Å; E1185-F1189 PolarHBondContact O-N 2.99Å
1186L73.2Confident71.2Confident1 Ų154.7 Ų54.71%0.00531%0.309CS..Hα-helixtrans-66.9-46173.6-171.682.3000111.6I1174 L1177 R1182 V1183 S1184 F1189 I1190 A1213I1174-L1186 HydrophobicContact CB-CD1 4.39Å; I1174-L1186 HydrophobicContact CG2-CD1 3.62Å; I1174-L1186 WeakPolarHBondContact O-CD1 3.49Å; L1177-L1186 HydrophobicContact CB-CD1 3.96Å; R1182-L1186 PolarHBondContact O-N 3.01Å; R1182-L1186 VanDerWaalsContact O-N 3.13Å; V1183-L1186 WeakPolarHBondContact O-CB 3.38Å; V1183-L1186 PolarHBondContact O-N 3.08Å; S1184-L1186 VanDerWaalsContact C-N 3.26Å; S1184-L1186 PolarHBondContact O-N 3.44Å; L1186-F1189 PolarHBondContact O-N 2.9Å; L1186-I1190 HydrophobicContact CD1-CD1 4.42Å; L1186-I1190 HydrophobicContact CD2-CD1 4.28Å; L1186-I1190 HydrophobicContact CG-CD1 3.81Å; L1186-I1190 WeakPolarHBondContact O-CB 3.36Å; L1186-I1190 WeakPolarHBondContact O-CD1 3.04Å; L1186-I1190 WeakPolarHBondContact O-CG1 3.44Å; L1186-I1190 PolarHBondContact O-N 2.84Å; L1186-A1213 HydrophobicContact CD2-CB 3.97Å
1187E69.9Low71.2Confident79 Ų7959.6 Ų59.637%0.36933%0.332SS..Hα-helixtrans-61.8-46.3176.7-76.6-178.9178.500111.8V1183 S1184 F1189 I1190 N1191 L1216V1183-E1187 WeakPolarHBondContact O-CG 3.33Å; V1183-E1187 PolarHBondContact O-N 3.41Å; S1184-E1187 PolarHBondContact O-N 3.46Å; E1187-F1189 VanDerWaalsContact C-N 3.29Å; E1187-F1189 PolarHBondContact O-N 2.88Å; E1187-I1190 PolarHBondContact O-N 3.36Å; E1187-N1191 WeakPolarHBondContact O-CB 3.32Å; E1187-N1191 VanDerWaalsContact O-CG 3.24Å; E1187-N1191 PolarHBondContact O-N 3.28Å; E1187-N1191 PolarHBondContact O-ND2 3.14Å; E1187-L1216 HydrophobicContact CG-CD1 3.65Å; E1187-L1216 HydrophobicContact CG-CD2 3.98Å; E1187-L1216 HydrophobicContact CG-CG 4.35Å; E1187-L1216 WeakPolarHBondContact OE1-CD1 3.4Å; E1187-L1216 WeakPolarHBondContact OE1-CD2 3.16Å
1188D72.5Confident71.1Confident122 Ų12260.3 Ų60.365%0.65234%0.336SS*.Hα-helixtrans-61.5-38.3176.5-72.9-21.9000111.7S1184 G1192S1184-D1188 PolarHBondContact O-N 3.46Å; D1188-G1192 PolarHBondContact O-N 2.93Å
1189F71.7Confident71.2Confident15 Ų1564.8 Ų64.87%0.06636%0.355CS..Hα-helixtrans-68-42.8178.3-172-83.1000112.7R1161 E1170 L1173 I1174 E1185 L1186 E1187 G1192 N1194R1161-F1189 VanDerWaalsContact NH1-CE2 3.29Å; E1170-F1189 HydrophobicContact CB-CZ 4.02Å; E1170-F1189 HydrophobicContact CG-CZ 4.14Å; L1173-F1189 HydrophobicContact CD2-CD2 4.5Å; L1173-F1189 HydrophobicContact CD2-CE2 3.8Å; L1173-F1189 HydrophobicContact CD2-CZ 4.38Å; I1174-F1189 HydrophobicContact CD1-CD1 3.99Å; I1174-F1189 HydrophobicContact CD1-CE1 3.65Å; I1174-F1189 HydrophobicContact CG1-CD1 3.59Å; I1174-F1189 HydrophobicContact CG1-CE1 3.41Å; I1174-F1189 VanDerWaalsContact CG1-CE1 3.41Å; I1174-F1189 HydrophobicContact CG1-CZ 4.29Å; E1185-F1189 VanDerWaalsContact O-CB 3.23Å; E1185-F1189 WeakPolarHBondContact O-CB 3.24Å; E1185-F1189 PolarHBondContact O-N 2.99Å; L1186-F1189 PolarHBondContact O-N 2.9Å; E1187-F1189 VanDerWaalsContact C-N 3.29Å; E1187-F1189 PolarHBondContact O-N 2.88Å; F1189-G1192 PolarHBondContact O-N 3.4Å; F1189-N1194 HydrophobicContact CE1-CB 4.08Å; F1189-N1194 PolarHBondContact O-ND2 3.42Å
1190I71Confident71.4Confident9 Ų966.7 Ų66.75%0.04637%0.365CS..Hα-helixtrans-71.1-32.7-179.1-66.6162.9000111.1L1186 E1187 G1192 N1194 L1217 N1220L1186-I1190 HydrophobicContact CD1-CD1 4.42Å; L1186-I1190 HydrophobicContact CD2-CD1 4.28Å; L1186-I1190 HydrophobicContact CG-CD1 3.81Å; L1186-I1190 WeakPolarHBondContact O-CB 3.36Å; L1186-I1190 WeakPolarHBondContact O-CD1 3.04Å; L1186-I1190 WeakPolarHBondContact O-CG1 3.44Å; L1186-I1190 PolarHBondContact O-N 2.84Å; E1187-I1190 PolarHBondContact O-N 3.36Å; I1190-G1192 VanDerWaalsContact C-N 3.33Å; I1190-N1194 PolarHBondContact O-ND2 3.28Å; I1190-L1217 HydrophobicContact CD1-CD2 3.41Å; I1190-L1217 VanDerWaalsContact CD1-CD2 3.41Å; I1190-L1217 HydrophobicContact CD1-CG 4.13Å; I1190-L1217 HydrophobicContact CG1-CD2 4.09Å; I1190-N1220 HydrophobicContact CG2-CB 3.65Å; I1190-N1220 WeakPolarHBondContact CG2-ND2 3.38Å
1191N71.8Confident71.6Confident126 Ų12665.4 Ų65.467%0.67436%0.358SS*.Hα-helixtrans-78.2-14.3178.2-69.6-33.1000113.6E1187E1187-N1191 WeakPolarHBondContact O-CB 3.32Å; E1187-N1191 VanDerWaalsContact O-CG 3.24Å; E1187-N1191 PolarHBondContact O-N 3.28Å; E1187-N1191 PolarHBondContact O-ND2 3.14Å
1192G70.8Confident71.8Confident30 Ų3060.7 Ų60.731%0.30933%0.325SS..SBendtrans-91170.817400000114.2D1188 F1189 I1190 N1194D1188-G1192 PolarHBondContact O-N 2.93Å; F1189-G1192 PolarHBondContact O-N 3.4Å; I1190-G1192 VanDerWaalsContact C-N 3.33Å; G1192-N1194 PolarHBondContact O-N 3.02Å; G1192-N1194 PolarHBondContact O-ND2 3.05Å
1193P65.3Low72Confident111 Ų11159.1 Ų59.172%0.72132%0.323SS*.  trans-66120.7175.727.1-33000111
1194N69.7Low72.5Confident40 Ų4061.2 Ų61.221%0.21433%0.325CS..  trans-136.3154.1-177.95955.2000111.5F1189 I1190 G1192F1189-N1194 HydrophobicContact CE1-CB 4.08Å; F1189-N1194 PolarHBondContact O-ND2 3.42Å; I1190-N1194 PolarHBondContact O-ND2 3.28Å; G1192-N1194 PolarHBondContact O-N 3.02Å; G1192-N1194 PolarHBondContact O-ND2 3.05Å
1195N71.3Confident72.8Confident108 Ų10857.4 Ų57.458%0.57830%0.299SS*.  trans-110.718.3175.7-76.1-12.8000111.7S1167 E1170S1167-N1195 VanDerWaalsContact CB-O 3.3Å; S1167-N1195 WeakPolarHBondContact CB-O 3.26Å; S1167-N1195 PolarHBondContact OG-O 2.97Å; E1170-N1195 PolarHBondContact OE2-N 3.23Å
1196A70Confident73Confident13 Ų1355.2 Ų55.211%0.10729%0.287CS..SBendtrans-86.1153.3-171.600000113.5E1170 I1174 I1198E1170-A1196 HydrophobicContact CB-CB 3.95Å; I1174-A1196 HydrophobicContact CD1-CB 3.41Å; I1174-A1196 VanDerWaalsContact CD1-CB 3.41Å; A1196-I1198 PolarHBondContact O-N 3.48Å; A1196-I1198 VanDerWaalsContact O-N 3.08Å
1197H76.4Confident73.1Confident104 Ų10462.5 Ų62.548%0.48132%0.322SS..  trans-84.573.6174.3-68-57.4000112T1171 Q1199 Q1200 V1201T1171-H1197 HydrophobicContact CG2-CB 4.3Å; T1171-H1197 PolarHBondContact OG1-N 2.91Å; T1171-H1197 VanDerWaalsContact OG1-N 3.08Å; H1197-Q1199 VanDerWaalsContact C-N 3.26Å; H1197-Q1199 PolarHBondContact O-N 3.5Å; H1197-Q1199 VanDerWaalsContact O-N 3.16Å; H1197-Q1200 HydrophobicContact CB-CB 4.32Å; H1197-Q1200 HydrophobicContact CB-CG 4.27Å; H1197-Q1200 PolarHBondContact O-N 3.49Å; H1197-Q1200 VanDerWaalsContact O-N 3.13Å; H1197-V1201 PolarHBondContact O-N 3.4Å
1198I75.8Confident73.2Confident18 Ų1863.3 Ų63.39%0.09233%0.325CS..Hα-helixtrans-54.8-37.2-173.5-55.7176.2000113I1174 A1196 V1201 G1202 L1217 V1221I1174-I1198 HydrophobicContact CD1-CG1 4.39Å; A1196-I1198 PolarHBondContact O-N 3.48Å; A1196-I1198 VanDerWaalsContact O-N 3.08Å; I1198-V1201 PolarHBondContact O-N 3.37Å; I1198-G1202 PolarHBondContact O-N 2.79Å; I1198-L1217 HydrophobicContact CG2-CB 4.24Å; I1198-L1217 HydrophobicContact CG2-CD2 3.62Å; I1198-V1221 HydrophobicContact CB-CG2 3.86Å; I1198-V1221 HydrophobicContact CG2-CG2 3.52Å
1199Q75.4Confident72.9Confident100 Ų10059 Ų5947%0.46731%0.31SS..Hα-helixtrans-66-41.9-179.9-172.2174.2-11.300112.8H1197 V1201 G1202 D1203 V1221H1197-Q1199 VanDerWaalsContact C-N 3.26Å; H1197-Q1199 PolarHBondContact O-N 3.5Å; H1197-Q1199 VanDerWaalsContact O-N 3.16Å; Q1199-V1201 VanDerWaalsContact C-N 3.32Å; Q1199-V1201 PolarHBondContact O-N 3.04Å; Q1199-G1202 PolarHBondContact O-N 3.44Å; Q1199-D1203 PolarHBondContact O-N 3.27Å; Q1199-V1221 HydrophobicContact CB-CG1 4.31Å
1200Q77.4Confident73Confident115 Ų11560.2 Ų60.254%0.53732%0.316SS..Hα-helixtrans-66.4-37.8179-67.6178.4-6.700111.3H1197 D1203 R1204H1197-Q1200 HydrophobicContact CB-CB 4.32Å; H1197-Q1200 HydrophobicContact CB-CG 4.27Å; H1197-Q1200 PolarHBondContact O-N 3.49Å; H1197-Q1200 VanDerWaalsContact O-N 3.13Å; Q1200-D1203 PolarHBondContact O-N 2.99Å; Q1200-R1204 WeakPolarHBondContact O-CG 3.31Å; Q1200-R1204 PolarHBondContact O-N 3.29Å
1201V74.4Confident73.1Confident1 Ų162.9 Ų62.91%0.00633%0.327CS..Hα-helixtrans-68.7-39.9174.8-174.80000110.7T1171 I1174 F1175 H1197 I1198 Q1199 D1203 R1204 C1205 L1217T1171-V1201 HydrophobicContact CG2-CG2 3.49Å; T1171-V1201 VanDerWaalsContact CG2-CG2 3.49Å; T1171-V1201 WeakPolarHBondContact O-CG2 3.43Å; I1174-V1201 HydrophobicContact CB-CG1 4.23Å; I1174-V1201 HydrophobicContact CG2-CB 4.27Å; I1174-V1201 HydrophobicContact CG2-CG1 3.64Å; F1175-V1201 HydrophobicContact CB-CG1 3.93Å; F1175-V1201 HydrophobicContact CD2-CG1 4.15Å; H1197-V1201 PolarHBondContact O-N 3.4Å; I1198-V1201 PolarHBondContact O-N 3.37Å; Q1199-V1201 VanDerWaalsContact C-N 3.32Å; Q1199-V1201 PolarHBondContact O-N 3.04Å; V1201-D1203 PolarHBondContact O-N 3.2Å; V1201-R1204 PolarHBondContact O-N 3.06Å; V1201-C1205 WeakPolarHBondContact O-CB 3.37Å; V1201-C1205 PolarHBondContact O-N 3.4Å; V1201-C1205 PolarHBondContact O-SG 3.18Å; V1201-L1217 HydrophobicContact CB-CD1 4.49Å; V1201-L1217 HydrophobicContact CG1-CD1 4Å
1202G74.3Confident73Confident0 Ų063.2 Ų63.20%032%0.324CS..Hα-helixtrans-58.4-44.5173.900000112.8I1198 Q1199 C1205 Y1206 Y1218I1198-G1202 PolarHBondContact O-N 2.79Å; Q1199-G1202 PolarHBondContact O-N 3.44Å; G1202-C1205 PolarHBondContact O-N 3.31Å; G1202-Y1206 WeakPolarHBondContact O-CB 3.23Å; G1202-Y1206 PolarHBondContact O-N 3.23Å; G1202-Y1218 PolarHBondContact O-OH 3.5Å
1203D77.4Confident72.9Confident48 Ų4862.1 Ų62.126%0.25731%0.312SS..Hα-helixtrans-65.1-44.6176.5-67.8-24000112Q1199 Q1200 V1201 Y1206 E1207 Y1218Q1199-D1203 PolarHBondContact O-N 3.27Å; Q1200-D1203 PolarHBondContact O-N 2.99Å; V1201-D1203 PolarHBondContact O-N 3.2Å; D1203-Y1206 PolarHBondContact O-N 3.18Å; D1203-E1207 WeakPolarHBondContact O-CG 3.5Å; D1203-E1207 PolarHBondContact O-N 3.22Å; D1203-Y1218 VanDerWaalsContact CA-OH 3.26Å; D1203-Y1218 WeakPolarHBondContact CA-OH 3.38Å; D1203-Y1218 PolarHBondContact N-OH 3.43Å; D1203-Y1218 WeakPolarHBondContact OD1-CE1 3.4Å; D1203-Y1218 PolarHBondContact OD1-OH 3.37Å
1204R76.8Confident73.2Confident89 Ų8956.9 Ų56.934%0.33628%0.278SS..Hα-helixtrans-61.9-43.4174.2-74.3176.464.9-176.6-3.3112.5E1172 F1175 Q1200 V1201 Y1206 E1207 E1208E1172-R1204 IonicContact OE1-CZ 2.63Å; E1172-R1204 IonicContact OE1-NH1 3.18Å; E1172-R1204 PolarHBondContact OE1-NH1 3.31Å; E1172-R1204 IonicContact OE1-NH2 3.07Å; E1172-R1204 IonicContact OE2-NH1 3.78Å; E1172-R1204 IonicContact OE2-NH2 3.25Å; F1175-R1204 HydrophobicContact CD2-CB 4.15Å; F1175-R1204 HydrophobicContact CE2-CB 3.79Å; Q1200-R1204 WeakPolarHBondContact O-CG 3.31Å; Q1200-R1204 PolarHBondContact O-N 3.29Å; V1201-R1204 PolarHBondContact O-N 3.06Å; R1204-Y1206 VanDerWaalsContact C-N 3.31Å; R1204-Y1206 PolarHBondContact O-N 3.44Å; R1204-E1207 PolarHBondContact O-N 2.98Å; R1204-E1208 PolarHBondContact O-N 3.16Å; R1204-E1208 VanDerWaalsContact O-N 3.15Å
1205C73.9Confident73.4Confident0 Ų059 Ų590%029%0.285CS..Hα-helixtrans-65.8-33.9177.4-71.50000112.5V1201 G1202 G1209 M1210 A1214 L1217V1201-C1205 WeakPolarHBondContact O-CB 3.37Å; V1201-C1205 PolarHBondContact O-N 3.4Å; V1201-C1205 PolarHBondContact O-SG 3.18Å; G1202-C1205 PolarHBondContact O-N 3.31Å; C1205-G1209 PolarHBondContact O-N 3.45Å; C1205-M1210 HydrophobicContact CB-CB 4.36Å; C1205-M1210 HydrophobicContact CB-CE 4.3Å; C1205-M1210 WeakPolarHBondContact O-CB 3.15Å; C1205-M1210 PolarHBondContact O-N 3.3Å; C1205-A1214 HydrophobicContact CB-CB 4.15Å; C1205-L1217 HydrophobicContact CB-CD1 4.42Å
1206Y75.1Confident73.5Confident30 Ų3055.9 Ų55.912%0.11827%0.269CS..Hα-helixtrans-68.7-44175.5-177.8-105.4000112.3G1202 D1203 R1204 E1208 G1209 Y1211 Y1218 S1229 T1230 H1233G1202-Y1206 WeakPolarHBondContact O-CB 3.23Å; G1202-Y1206 PolarHBondContact O-N 3.23Å; D1203-Y1206 PolarHBondContact O-N 3.18Å; R1204-Y1206 VanDerWaalsContact C-N 3.31Å; R1204-Y1206 PolarHBondContact O-N 3.44Å; Y1206-E1208 VanDerWaalsContact C-N 3.29Å; Y1206-E1208 PolarHBondContact O-N 3.05Å; Y1206-G1209 PolarHBondContact O-N 3.46Å; Y1206-Y1211 AromaticContact CD2-CD1 3.75Å; Y1206-Y1211 HydrophobicContact CD2-CD1 3.75Å; Y1206-Y1211 AromaticContact CD2-CE1 3.75Å; Y1206-Y1211 HydrophobicContact CD2-CE1 3.75Å; Y1206-Y1211 AromaticContact CE2-CD1 3.83Å; Y1206-Y1211 HydrophobicContact CE2-CD1 3.83Å; Y1206-Y1211 AromaticContact CE2-CE1 3.6Å; Y1206-Y1211 HydrophobicContact CE2-CE1 3.6Å; Y1206-Y1218 HydrophobicContact CD2-CE2 4.47Å; Y1206-Y1218 HydrophobicContact CG-CE2 4.4Å; Y1206-S1229 PolarHBondContact OH-OG 3.39Å; Y1206-T1230 HydrophobicContact CD2-CG2 3.26Å; Y1206-T1230 HydrophobicContact CE2-CG2 3.49Å; Y1206-T1230 VanDerWaalsContact CE2-CG2 3.49Å; Y1206-T1230 HydrophobicContact CG-CG2 4.32Å; Y1206-H1233 PolarHBondContact OH-CD2 3.44Å; Y1206-H1233 PolarHBondContact OH-NE2 3.13Å
1207E74.9Confident73.6Confident155 Ų15555.3 Ų55.372%0.72426%0.263SS*.Hα-helixtrans-64.7-32.6178.2-72.5177.8178.300112.7D1203 R1204 G1209D1203-E1207 WeakPolarHBondContact O-CG 3.5Å; D1203-E1207 PolarHBondContact O-N 3.22Å; R1204-E1207 PolarHBondContact O-N 2.98Å; E1207-G1209 VanDerWaalsContact C-N 3.32Å
1208E70.6Confident73.7Confident95 Ų9550.3 Ų50.344%0.44424%0.24SC..THydrogen-bonded Turntrans-86.65.2176.7-68-165.6-170.100114.4K1179 R1204 Y1206 M1210K1179-E1208 WeakPolarHBondContact CE-OE2 3.49Å; K1179-E1208 IonicContact NZ-OE2 3.44Å; K1179-E1208 PolarHBondContact NZ-OE2 3.23Å; R1204-E1208 PolarHBondContact O-N 3.16Å; R1204-E1208 VanDerWaalsContact O-N 3.15Å; Y1206-E1208 VanDerWaalsContact C-N 3.29Å; Y1206-E1208 PolarHBondContact O-N 3.05Å; E1208-M1210 HydrophobicContact CB-CE 3.95Å; E1208-M1210 PolarHBondContact O-N 3.21Å
1209G67.6Low73.6Confident33 Ų3353.4 Ų53.434%0.3426%0.263SS..THydrogen-bonded Turntrans78.213.1175.300000115.6C1205 Y1206 E1207 Y1211C1205-G1209 PolarHBondContact O-N 3.45Å; Y1206-G1209 PolarHBondContact O-N 3.46Å; E1207-G1209 VanDerWaalsContact C-N 3.32Å; G1209-Y1211 VanDerWaalsContact C-N 3.26Å; G1209-Y1211 WeakPolarHBondContact O-CD2 3.3Å; G1209-Y1211 WeakPolarHBondContact O-CE2 3.34Å; G1209-Y1211 PolarHBondContact O-N 3.33Å
1210M73.9Confident73.4Confident39 Ų3952.2 Ų52.219%0.19226%0.26CS..  trans-85.663.6178-62.7-176.4-74.900110.8F1175 K1179 C1205 E1208 E1212 A1213 A1214F1175-M1210 HydrophobicContact CE2-CE 4.05Å; F1175-M1210 HydrophobicContact CZ-CE 4.43Å; K1179-M1210 HydrophobicContact CD-CE 4.48Å; K1179-M1210 HydrophobicContact CD-SD 4.33Å; K1179-M1210 HydrophobicContact CG-CE 4.18Å; K1179-M1210 HydrophobicContact CG-SD 4.22Å; C1205-M1210 HydrophobicContact CB-CB 4.36Å; C1205-M1210 HydrophobicContact CB-CE 4.3Å; C1205-M1210 WeakPolarHBondContact O-CB 3.15Å; C1205-M1210 PolarHBondContact O-N 3.3Å; E1208-M1210 HydrophobicContact CB-CE 3.95Å; E1208-M1210 PolarHBondContact O-N 3.21Å; M1210-E1212 VanDerWaalsContact C-N 3.34Å; M1210-E1212 PolarHBondContact O-N 3.11Å; M1210-A1213 PolarHBondContact O-N 3.32Å; M1210-A1214 WeakPolarHBondContact O-CB 3.19Å; M1210-A1214 PolarHBondContact O-N 3.5Å
1211Y72.6Confident73Confident66 Ų6648.6 Ų48.626%0.25925%0.246SC..Hα-helixtrans-66.6-28.4-167.7-56.8-69.4000114.5Y1206 G1209 K1215 H1233Y1206-Y1211 AromaticContact CD2-CD1 3.75Å; Y1206-Y1211 HydrophobicContact CD2-CD1 3.75Å; Y1206-Y1211 AromaticContact CD2-CE1 3.75Å; Y1206-Y1211 HydrophobicContact CD2-CE1 3.75Å; Y1206-Y1211 AromaticContact CE2-CD1 3.83Å; Y1206-Y1211 HydrophobicContact CE2-CD1 3.83Å; Y1206-Y1211 AromaticContact CE2-CE1 3.6Å; Y1206-Y1211 HydrophobicContact CE2-CE1 3.6Å; G1209-Y1211 VanDerWaalsContact C-N 3.26Å; G1209-Y1211 WeakPolarHBondContact O-CD2 3.3Å; G1209-Y1211 WeakPolarHBondContact O-CE2 3.34Å; G1209-Y1211 PolarHBondContact O-N 3.33Å; Y1211-K1215 VanDerWaalsContact O-CB 3.3Å; Y1211-K1215 WeakPolarHBondContact O-CB 3.36Å; Y1211-K1215 PolarHBondContact O-N 3.09Å; Y1211-H1233 HydrophobicContact CD1-CB 3.95Å; Y1211-H1233 HydrophobicContact CD2-CB 4.22Å; Y1211-H1233 HydrophobicContact CE1-CB 3.86Å; Y1211-H1233 AromaticContact CE1-CG 3.99Å; Y1211-H1233 HydrophobicContact CE2-CB 4.14Å; Y1211-H1233 HydrophobicContact CG-CB 4.13Å
1212E68.6Low72.8Confident132 Ų13252.1 Ų52.162%0.61727%0.271SS*.Hα-helixtrans-68.8-46177.4-65.9-175.8166.100112.1M1210 K1215 L1216 L1234M1210-E1212 VanDerWaalsContact C-N 3.34Å; M1210-E1212 PolarHBondContact O-N 3.11Å; E1212-K1215 WeakPolarHBondContact O-CB 3.26Å; E1212-K1215 PolarHBondContact O-N 2.96Å; E1212-L1216 PolarHBondContact O-N 3.41Å; E1212-L1234 HydrophobicContact CG-CD2 3.77Å
1213A69.4Low72.7Confident8 Ų854.1 Ų54.17%0.06628%0.282CS..Hα-helixtrans-67.7-39.9173.700000111.5A1178 L1186 M1210 K1215 L1216 L1217A1178-A1213 HydrophobicContact CB-CB 3.84Å; L1186-A1213 HydrophobicContact CD2-CB 3.97Å; M1210-A1213 PolarHBondContact O-N 3.32Å; A1213-K1215 VanDerWaalsContact C-N 3.32Å; A1213-K1215 PolarHBondContact O-N 2.9Å; A1213-L1216 PolarHBondContact O-N 2.87Å; A1213-L1217 VanDerWaalsContact O-CG 3.31Å; A1213-L1217 WeakPolarHBondContact O-CG 3.4Å; A1213-L1217 PolarHBondContact O-N 3.14Å
1214A70.9Confident72.3Confident0 Ų059.2 Ų59.20%030%0.302CS..Hα-helixtrans-63.5-36.2175.400000112.3C1205 M1210 L1216 L1217 Y1218 T1230C1205-A1214 HydrophobicContact CB-CB 4.15Å; M1210-A1214 WeakPolarHBondContact O-CB 3.19Å; M1210-A1214 PolarHBondContact O-N 3.5Å; A1214-L1216 VanDerWaalsContact C-N 3.35Å; A1214-L1216 PolarHBondContact O-N 3.48Å; A1214-L1217 PolarHBondContact O-N 3.48Å; A1214-Y1218 HydrophobicContact CB-CD2 4.22Å; A1214-Y1218 HydrophobicContact CB-CE2 4.08Å; A1214-Y1218 WeakPolarHBondContact O-CB 3.41Å; A1214-Y1218 WeakPolarHBondContact O-CD2 3.17Å; A1214-Y1218 PolarHBondContact O-N 3.18Å; A1214-T1230 HydrophobicContact CB-CG2 4.35Å
1215K75.3Confident71.8Confident85 Ų8558.7 Ų58.737%0.3732%0.316SS..Hα-helixtrans-59.1-44.9173.6177.4-172.6170-174.30111.3Y1211 E1212 A1213 S1219 L1231 L1234Y1211-K1215 VanDerWaalsContact O-CB 3.3Å; Y1211-K1215 WeakPolarHBondContact O-CB 3.36Å; Y1211-K1215 PolarHBondContact O-N 3.09Å; E1212-K1215 WeakPolarHBondContact O-CB 3.26Å; E1212-K1215 PolarHBondContact O-N 2.96Å; A1213-K1215 VanDerWaalsContact C-N 3.32Å; A1213-K1215 PolarHBondContact O-N 2.9Å; K1215-S1219 WeakPolarHBondContact O-CB 3.34Å; K1215-S1219 PolarHBondContact O-N 3.16Å; K1215-L1231 HydrophobicContact CD-CD2 3.92Å; K1215-L1231 HydrophobicContact CG-CD2 4.34Å; K1215-L1234 HydrophobicContact CB-CD1 4.15Å; K1215-L1234 HydrophobicContact CD-CD1 4.02Å
1216L72.5Confident71.4Confident43 Ų4363.8 Ų63.823%0.22534%0.335CS..Hα-helixtrans-66.1-45.2179-67.3168.5000112V1183 E1187 E1212 A1213 A1214 S1219 N1220V1183-L1216 HydrophobicContact CG1-CD1 3.3Å; E1187-L1216 HydrophobicContact CG-CD1 3.65Å; E1187-L1216 HydrophobicContact CG-CD2 3.98Å; E1187-L1216 HydrophobicContact CG-CG 4.35Å; E1187-L1216 WeakPolarHBondContact OE1-CD1 3.4Å; E1187-L1216 WeakPolarHBondContact OE1-CD2 3.16Å; E1212-L1216 PolarHBondContact O-N 3.41Å; A1213-L1216 PolarHBondContact O-N 2.87Å; A1214-L1216 VanDerWaalsContact C-N 3.35Å; A1214-L1216 PolarHBondContact O-N 3.48Å; L1216-S1219 PolarHBondContact O-N 3.42Å; L1216-N1220 PolarHBondContact O-N 3.13Å; L1216-N1220 VanDerWaalsContact O-N 3.13Å
1217L73.1Confident71Confident0 Ų063.7 Ų63.70%034%0.337CS..Hα-helixtrans-63.3-45.2178.3-66.9165.2000112I1174 I1190 I1198 V1201 C1205 A1213 A1214 N1220 V1221I1174-L1217 HydrophobicContact CG2-CD1 4.47Å; I1174-L1217 HydrophobicContact CG2-CD2 3.67Å; I1190-L1217 HydrophobicContact CD1-CD2 3.41Å; I1190-L1217 VanDerWaalsContact CD1-CD2 3.41Å; I1190-L1217 HydrophobicContact CD1-CG 4.13Å; I1190-L1217 HydrophobicContact CG1-CD2 4.09Å; I1198-L1217 HydrophobicContact CG2-CB 4.24Å; I1198-L1217 HydrophobicContact CG2-CD2 3.62Å; V1201-L1217 HydrophobicContact CB-CD1 4.49Å; V1201-L1217 HydrophobicContact CG1-CD1 4Å; C1205-L1217 HydrophobicContact CB-CD1 4.42Å; A1213-L1217 VanDerWaalsContact O-CG 3.31Å; A1213-L1217 WeakPolarHBondContact O-CG 3.4Å; A1213-L1217 PolarHBondContact O-N 3.14Å; A1214-L1217 PolarHBondContact O-N 3.48Å; L1217-N1220 PolarHBondContact O-N 3.37Å; L1217-V1221 WeakPolarHBondContact O-CG2 3.4Å; L1217-V1221 PolarHBondContact O-N 2.94Å; L1217-V1221 VanDerWaalsContact O-N 3.16Å
1218Y77.1Confident70.4Confident0 Ų058.5 Ų58.50%032%0.321CS..Hα-helixtrans-73.4-27.8177.8-68.2-49.2000113.9G1202 D1203 Y1206 A1214 N1220 S1222 N1223 R1226 T1230G1202-Y1218 PolarHBondContact O-OH 3.5Å; D1203-Y1218 VanDerWaalsContact CA-OH 3.26Å; D1203-Y1218 WeakPolarHBondContact CA-OH 3.38Å; D1203-Y1218 PolarHBondContact N-OH 3.43Å; D1203-Y1218 WeakPolarHBondContact OD1-CE1 3.4Å; D1203-Y1218 PolarHBondContact OD1-OH 3.37Å; Y1206-Y1218 HydrophobicContact CD2-CE2 4.47Å; Y1206-Y1218 HydrophobicContact CG-CE2 4.4Å; A1214-Y1218 HydrophobicContact CB-CD2 4.22Å; A1214-Y1218 HydrophobicContact CB-CE2 4.08Å; A1214-Y1218 WeakPolarHBondContact O-CB 3.41Å; A1214-Y1218 WeakPolarHBondContact O-CD2 3.17Å; A1214-Y1218 PolarHBondContact O-N 3.18Å; Y1218-N1220 VanDerWaalsContact C-N 3.34Å; Y1218-S1222 PolarHBondContact O-N 2.89Å; Y1218-S1222 VanDerWaalsContact O-N 3.11Å; Y1218-N1223 HydrophobicContact CD1-CB 4.34Å; Y1218-N1223 PolarHBondContact O-N 3Å; Y1218-R1226 HydrophobicContact CD1-CB 4.2Å; Y1218-R1226 HydrophobicContact CD2-CB 4.16Å; Y1218-R1226 HydrophobicContact CE1-CB 3.98Å; Y1218-R1226 HydrophobicContact CE1-CG 4.4Å; Y1218-R1226 HydrophobicContact CE2-CB 3.92Å; Y1218-R1226 HydrophobicContact CG-CB 4.28Å; Y1218-T1230 HydrophobicContact CD2-CG2 3.63Å; Y1218-T1230 HydrophobicContact CE2-CG2 3.62Å
1219S73.6Confident70.2Confident82 Ų8256 Ų5657%0.57331%0.314SS*.Hα-helixtrans-66.3-37.7173.4-171.20000111.3K1215 L1216K1215-S1219 WeakPolarHBondContact O-CB 3.34Å; K1215-S1219 PolarHBondContact O-N 3.16Å; L1216-S1219 PolarHBondContact O-N 3.42Å
1220N72.2Confident70.1Confident75 Ų7554.5 Ų54.540%0.40130%0.298SS..Hα-helixtrans-72.7-38.9176.7-166.6-77.6000112.2I1190 L1216 L1217 Y1218 S1222I1190-N1220 HydrophobicContact CG2-CB 3.65Å; I1190-N1220 WeakPolarHBondContact CG2-ND2 3.38Å; L1216-N1220 PolarHBondContact O-N 3.13Å; L1216-N1220 VanDerWaalsContact O-N 3.13Å; L1217-N1220 PolarHBondContact O-N 3.37Å; Y1218-N1220 VanDerWaalsContact C-N 3.34Å; N1220-S1222 PolarHBondContact O-N 3.42Å
1221V69.5Low69.6Low40 Ų4054 Ų5424%0.24230%0.296CS..THydrogen-bonded Turntrans-78.6-2.6178.6-179.50000112.8I1198 Q1199 L1217 N1223I1198-V1221 HydrophobicContact CB-CG2 3.86Å; I1198-V1221 HydrophobicContact CG2-CG2 3.52Å; Q1199-V1221 HydrophobicContact CB-CG1 4.31Å; L1217-V1221 WeakPolarHBondContact O-CG2 3.4Å; L1217-V1221 PolarHBondContact O-N 2.94Å; L1217-V1221 VanDerWaalsContact O-N 3.16Å; V1221-N1223 PolarHBondContact O-N 3.31Å
1222S69.4Low69.3Low75 Ų7554.3 Ų54.352%0.52430%0.304SS..THydrogen-bonded Turntrans55.329.6-178.460.20000114.6Y1218 N1220 F1224Y1218-S1222 PolarHBondContact O-N 2.89Å; Y1218-S1222 VanDerWaalsContact O-N 3.11Å; N1220-S1222 PolarHBondContact O-N 3.42Å; S1222-F1224 WeakPolarHBondContact O-CD2 3.3Å; S1222-F1224 WeakPolarHBondContact O-CE2 3.46Å; S1222-F1224 PolarHBondContact O-N 3.48Å; S1222-F1224 VanDerWaalsContact O-N 3.16Å
1223N72.6Confident69Low42 Ų4253 Ų5323%0.22530%0.298CS..  trans-87.480.4177.4-170.6-18.3000110.9Y1218 V1221 A1225 R1226 L1227Y1218-N1223 HydrophobicContact CD1-CB 4.34Å; Y1218-N1223 PolarHBondContact O-N 3Å; V1221-N1223 PolarHBondContact O-N 3.31Å; N1223-A1225 PolarHBondContact O-N 3.35Å; N1223-R1226 PolarHBondContact O-N 3.4Å; N1223-R1226 PolarHBondContact OD1-N 2.86Å; N1223-L1227 VanDerWaalsContact O-CB 3.3Å; N1223-L1227 WeakPolarHBondContact O-CB 3.21Å; N1223-L1227 PolarHBondContact O-N 3.16Å
1224F68.3Low68.6Low155 Ų15555.1 Ų55.168%0.6831%0.308SS*.Hα-helixtrans-63.4-24.2-173.9-59.1-71.3000114.5S1222 A1228S1222-F1224 WeakPolarHBondContact O-CD2 3.3Å; S1222-F1224 WeakPolarHBondContact O-CE2 3.46Å; S1222-F1224 PolarHBondContact O-N 3.48Å; S1222-F1224 VanDerWaalsContact O-N 3.16Å; F1224-A1228 WeakPolarHBondContact O-CB 3.2Å; F1224-A1228 PolarHBondContact O-N 3.24Å
1225A67.6Low68Low78 Ų7858 Ų5865%0.64534%0.337SS*.Hα-helixtrans-71.4-46.2-179.900000112.3N1223 S1229N1223-A1225 PolarHBondContact O-N 3.35Å; A1225-S1229 PolarHBondContact O-N 3.44Å
1226R65.8Low67.1Low106 Ų10658.6 Ų58.640%0.435%0.348SS..Hα-helixtrans-75.1-33.9175-73.2-73.1-174.5162.44.1111.5Y1218 N1223 A1228 S1229 T1230Y1218-R1226 HydrophobicContact CD1-CB 4.2Å; Y1218-R1226 HydrophobicContact CD2-CB 4.16Å; Y1218-R1226 HydrophobicContact CE1-CB 3.98Å; Y1218-R1226 HydrophobicContact CE1-CG 4.4Å; Y1218-R1226 HydrophobicContact CE2-CB 3.92Å; Y1218-R1226 HydrophobicContact CG-CB 4.28Å; N1223-R1226 PolarHBondContact O-N 3.4Å; N1223-R1226 PolarHBondContact OD1-N 2.86Å; R1226-A1228 PolarHBondContact O-N 3.43Å; R1226-S1229 WeakPolarHBondContact O-CB 3.38Å; R1226-S1229 PolarHBondContact O-N 3.06Å; R1226-T1230 WeakPolarHBondContact O-CG2 3.44Å; R1226-T1230 PolarHBondContact O-N 3.32Å
1227L66.1Low65.5Low29 Ų2961.2 Ų61.215%0.15236%0.362CS..Hα-helixtrans-62-40174.1-170.9118000112.7N1223 S1229 T1230 L1231N1223-L1227 VanDerWaalsContact O-CB 3.3Å; N1223-L1227 WeakPolarHBondContact O-CB 3.21Å; N1223-L1227 PolarHBondContact O-N 3.16Å; L1227-S1229 VanDerWaalsContact C-N 3.32Å; L1227-S1229 PolarHBondContact O-N 3.03Å; L1227-T1230 WeakPolarHBondContact CA-OG1 3.18Å; L1227-T1230 PolarHBondContact O-N 3.04Å; L1227-T1230 PolarHBondContact O-OG1 3Å; L1227-L1231 HydrophobicContact CD2-CD1 3.62Å; L1227-L1231 HydrophobicContact CG-CD1 4.01Å; L1227-L1231 WeakPolarHBondContact O-CB 3.49Å; L1227-L1231 WeakPolarHBondContact O-CD1 3.38Å; L1227-L1231 WeakPolarHBondContact O-CG 3.35Å; L1227-L1231 PolarHBondContact O-N 3.03Å
1228A60.8Low63.9Low46 Ų4667.1 Ų67.138%0.3840%0.402SS..Hα-helixtrans-62.8-40.8173.600000111.5F1224 R1226 L1231 V1232F1224-A1228 WeakPolarHBondContact O-CB 3.2Å; F1224-A1228 PolarHBondContact O-N 3.24Å; R1226-A1228 PolarHBondContact O-N 3.43Å; A1228-L1231 PolarHBondContact O-N 3.3Å; A1228-V1232 VanDerWaalsContact O-CG2 3.26Å; A1228-V1232 WeakPolarHBondContact O-CG2 3.12Å; A1228-V1232 PolarHBondContact O-N 2.96Å; A1228-V1232 VanDerWaalsContact O-N 3.09Å
1229S67.6Low62Low43 Ų4374.8 Ų74.830%0.30144%0.442SS..Hα-helixtrans-64.9-43.6175.8-160.70000112.3Y1206 A1225 R1226 L1227 L1231 V1232 H1233Y1206-S1229 PolarHBondContact OH-OG 3.39Å; A1225-S1229 PolarHBondContact O-N 3.44Å; R1226-S1229 WeakPolarHBondContact O-CB 3.38Å; R1226-S1229 PolarHBondContact O-N 3.06Å; L1227-S1229 VanDerWaalsContact C-N 3.32Å; L1227-S1229 PolarHBondContact O-N 3.03Å; S1229-L1231 PolarHBondContact O-N 3.36Å; S1229-V1232 PolarHBondContact O-N 3.43Å; S1229-H1233 PolarHBondContact O-CD2 3.1Å; S1229-H1233 PolarHBondContact O-N 2.98Å; S1229-H1233 VanDerWaalsContact O-N 3.14Å
1230T65.2Low60.2Low0 Ų079.9 Ų79.90%046%0.456CS..Hα-helixtrans-65.8-38.2177.764.50000112Y1206 A1214 Y1218 R1226 L1227 V1232 H1233 L1234Y1206-T1230 HydrophobicContact CD2-CG2 3.26Å; Y1206-T1230 HydrophobicContact CE2-CG2 3.49Å; Y1206-T1230 VanDerWaalsContact CE2-CG2 3.49Å; Y1206-T1230 HydrophobicContact CG-CG2 4.32Å; A1214-T1230 HydrophobicContact CB-CG2 4.35Å; Y1218-T1230 HydrophobicContact CD2-CG2 3.63Å; Y1218-T1230 HydrophobicContact CE2-CG2 3.62Å; R1226-T1230 WeakPolarHBondContact O-CG2 3.44Å; R1226-T1230 PolarHBondContact O-N 3.32Å; L1227-T1230 WeakPolarHBondContact CA-OG1 3.18Å; L1227-T1230 PolarHBondContact O-N 3.04Å; L1227-T1230 PolarHBondContact O-OG1 3Å; T1230-V1232 VanDerWaalsContact C-N 3.35Å; T1230-H1233 PolarHBondContact O-N 3.34Å; T1230-L1234 WeakPolarHBondContact O-CG 3.4Å; T1230-L1234 PolarHBondContact O-N 3.36Å
1231L63.1Low58.4Low28 Ų2879.1 Ų79.115%0.14747%0.466CS..Hα-helixtrans-68.9-29.7176.4-72.1167.3000113.4K1215 L1227 A1228 S1229 G1235 V1236 L1237K1215-L1231 HydrophobicContact CD-CD2 3.92Å; K1215-L1231 HydrophobicContact CG-CD2 4.34Å; L1227-L1231 HydrophobicContact CD2-CD1 3.62Å; L1227-L1231 HydrophobicContact CG-CD1 4.01Å; L1227-L1231 WeakPolarHBondContact O-CB 3.49Å; L1227-L1231 WeakPolarHBondContact O-CD1 3.38Å; L1227-L1231 WeakPolarHBondContact O-CG 3.35Å; L1227-L1231 PolarHBondContact O-N 3.03Å; A1228-L1231 PolarHBondContact O-N 3.3Å; S1229-L1231 PolarHBondContact O-N 3.36Å; L1231-G1235 PolarHBondContact O-N 3.43Å; L1231-V1236 HydrophobicContact CD2-CB 4.38Å; L1231-V1236 PolarHBondContact O-N 3.1Å; L1231-V1236 VanDerWaalsContact O-N 3.1Å; L1231-L1237 HydrophobicContact CB-CD1 4.03Å; L1231-L1237 HydrophobicContact CD1-CD1 4.44Å
1232V65.9Low56.5Low73 Ų7389.8 Ų89.844%0.44250%0.502SS..Hα-helixtrans-68.6-43.4171.4169.10000110.6A1228 S1229 T1230 L1234 G1235 L1237A1228-V1232 VanDerWaalsContact O-CG2 3.26Å; A1228-V1232 WeakPolarHBondContact O-CG2 3.12Å; A1228-V1232 PolarHBondContact O-N 2.96Å; A1228-V1232 VanDerWaalsContact O-N 3.09Å; S1229-V1232 PolarHBondContact O-N 3.43Å; T1230-V1232 VanDerWaalsContact C-N 3.35Å; V1232-L1234 VanDerWaalsContact C-N 3.29Å; V1232-L1234 PolarHBondContact O-N 3.41Å; V1232-G1235 PolarHBondContact O-N 3.3Å; V1232-G1235 VanDerWaalsContact O-N 3.16Å; V1232-L1237 HydrophobicContact CG2-CB 4.34Å
1233H62.4Low54.8Low104 Ų10492.8 Ų92.848%0.48152%0.517SS..Hα-helixtrans-68-26.3175.4-76.2-71.4000113.7Y1206 Y1211 S1229 T1230 G1235Y1206-H1233 PolarHBondContact OH-CD2 3.44Å; Y1206-H1233 PolarHBondContact OH-NE2 3.13Å; Y1211-H1233 HydrophobicContact CD1-CB 3.95Å; Y1211-H1233 HydrophobicContact CD2-CB 4.22Å; Y1211-H1233 HydrophobicContact CE1-CB 3.86Å; Y1211-H1233 AromaticContact CE1-CG 3.99Å; Y1211-H1233 HydrophobicContact CE2-CB 4.14Å; Y1211-H1233 HydrophobicContact CG-CB 4.13Å; S1229-H1233 PolarHBondContact O-CD2 3.1Å; S1229-H1233 PolarHBondContact O-N 2.98Å; S1229-H1233 VanDerWaalsContact O-N 3.14Å; T1230-H1233 PolarHBondContact O-N 3.34Å; H1233-G1235 VanDerWaalsContact C-N 3.33Å
1234L62.1Low52.8Low53 Ų53102.3 Ų102.328%0.27755%0.55SS.*THydrogen-bonded Turntrans-82.9-1.9172.8-73.2167.2000114.1E1212 K1215 T1230 V1232 V1236E1212-L1234 HydrophobicContact CG-CD2 3.77Å; K1215-L1234 HydrophobicContact CB-CD1 4.15Å; K1215-L1234 HydrophobicContact CD-CD1 4.02Å; T1230-L1234 WeakPolarHBondContact O-CG 3.4Å; T1230-L1234 PolarHBondContact O-N 3.36Å; V1232-L1234 VanDerWaalsContact C-N 3.29Å; V1232-L1234 PolarHBondContact O-N 3.41Å; L1234-V1236 VanDerWaalsContact C-N 3.34Å; L1234-V1236 HydrophobicContact CB-CG2 4.21Å; L1234-V1236 PolarHBondContact O-N 3.3Å
1235G57.5Low50.9Low60 Ų60101.1 Ų101.162%0.61956%0.555SS**THydrogen-bonded Turntrans74.415.5176.500000115.8L1231 V1232 H1233L1231-G1235 PolarHBondContact O-N 3.43Å; V1232-G1235 PolarHBondContact O-N 3.3Å; V1232-G1235 VanDerWaalsContact O-N 3.16Å; H1233-G1235 VanDerWaalsContact C-N 3.33Å
1236V56.1Low49.7Very low99 Ų99102.5 Ų102.560%0.656%0.558SS**  trans-88.7-14.2-174.8-175.50000112.6L1231 L1234L1231-V1236 HydrophobicContact CD2-CB 4.38Å; L1231-V1236 PolarHBondContact O-N 3.1Å; L1231-V1236 VanDerWaalsContact O-N 3.1Å; L1234-V1236 VanDerWaalsContact C-N 3.34Å; L1234-V1236 HydrophobicContact CB-CG2 4.21Å; L1234-V1236 PolarHBondContact O-N 3.3Å
1237L40.4Very low48Very low98 Ų98104.7 Ų104.751%0.51358%0.577SS.*  trans-120.8111.5177.7-92.1156.1000111.6L1231 V1232L1231-L1237 HydrophobicContact CB-CD1 4.03Å; L1231-L1237 HydrophobicContact CD1-CD1 4.44Å; V1232-L1237 HydrophobicContact CG2-CB 4.34Å
1238C38.4Very low46.1Very low124 Ų124114.5 Ų114.584%0.83861%0.612SS**  trans-90.7117.8169.3-78.80000110.9H1240C1238-H1240 PolarHBondContact O-N 3.31Å
1239L38.6Very low44.6Very low160 Ų160118.9 Ų118.984%0.83863%0.634SS**  trans-77.3104.3170.8-86.9151.3000110.3
1240H34.3Very low42.8Very low189 Ų189121.1 Ų121.188%0.87566%0.655SS**  trans-116.9116.1162.2-113.148000110.5C1238C1238-H1240 PolarHBondContact O-N 3.31Å
1241G34.7Very low41.1Very low59 Ų59127.8 Ų127.861%0.60870%0.696SS**  trans87.8121.1168.600000114.3
1242W29Very low39.4Very low264 Ų264138 Ų138100%173%0.732SS**  169.989.7121.2-93.958.8000108
1243T35.4Very low37.5Very low138 Ų138139.9 Ų139.985%0.84775%0.749SS**  trans-81115.916634.70000109.4
1244R28.9Very low35.9Very low242 Ų242139.4 Ų139.491%0.91376%0.757SS**  trans163.294.9143.6-92.4170.5175.9-175.4-0.4112.2
1245V29.9Very low34.3Very low130 Ų130145.1 Ų145.179%0.78878%0.782SS**  trans10.5141.4133-172.10000116.7
1246P41.8Very low33Very low108 Ų108153.4 Ų153.470%0.70180%0.795SS**  cis-143.1149.845.827.1-1.9000121.6
1247L30Very low31.9Very low152 Ų152157.9 Ų157.980%0.79681%0.809SS**  trans44.7118.9135.2-72.7127.7000121.2
1248R25.9Very low31.5Very low235 Ų235157.9 Ų157.989%0.88782%0.817SS**  -161.9115.4105.1-104.1173.2-176.1-1691112.7
1249T29.2Very low30.7Very low137 Ų137158.2 Ų158.284%0.8482%0.819SS**  trans58.796.2148.8540000120.2
1250A31Very low30.4Very low91 Ų91165.6 Ų165.675%0.75284%0.836SS**  trans-143.6121.4144.200000109.5
1251V28.1Very low30.2Very low140 Ų140164.5 Ų164.585%0.84883%0.834SS**  trans-153.1105149.9179.70000105
1252W28.3Very low30Very low242 Ų242170 Ų17092%0.91785%0.846SS**  72.7115.176.2-95.650.8000115.9
1253S26.6Very low30Very low112 Ų112164.8 Ų164.878%0.78384%0.838SS**  trans177.5137.8138.354.10000107.1
1254S28.5Very low29.7Very low95 Ų95166.4 Ų166.466%0.66484%0.837SS**  cis-179.4146.811.742.50000109.9
1255H27.8Very low29.8Very low173 Ų173161.6 Ų161.680%0.80183%0.832SS**  trans75.2111.3145.1-70.927.3000118.7
1256R31.1Very low29.8Very low234 Ų234163.7 Ų163.788%0.88384%0.835SS**  55.6108.162.4-85.9-165.2-174.7-171.32.7115.9
1257H31.9Very low28.9Very low192 Ų192167.7 Ų167.789%0.88985%0.845SS**  -177.7150.4128.8-86.5-39.9000107.1
1258S31.6Very low28.8Very low99 Ų99168.9 Ų168.969%0.69285%0.849SS**  cis-178.2138.3-15.7163.80000103.4
1259C22.9Very low29.1Very low131 Ų131163.4 Ų163.489%0.88585%0.845SS**  trans-146.4138.8141.4-100.60000107.5
1260R31.9Very low29.1Very low315 Ų315165.8 Ų165.8100%1.18985%0.846SS**  trans-65.80160.5-87.8-179.6172177.8-2.5110

Retrieved 1,260 of 1,260 residues in 2130.6 ms (Link to these results)

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