A0A5K4FCD7_SCHMA Loading...

Protein kinase domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FCD7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 370 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
1M57.1Low81.4Confident172 Ų17298.8 Ų98.885%0.84752%0.524SS*.  0166.80-88.7-179.867.100108.5N3 H338M1-N3 PolarHBondContact O-N 3.29Å; M1-H338 HydrophobicContact SD-CB 3.8Å
2L72.3Confident81.7Confident47 Ų4795.3 Ų95.325%0.24650%0.504CS..  trans-67.8124.6160.2-60.2167.9000107.7N8 Y29 V31L2-N8 HydrophobicContact CD2-CB 4.48Å; L2-N8 VanDerWaalsContact CD2-OD1 3.23Å; L2-N8 WeakPolarHBondContact CD2-OD1 3.42Å; L2-Y29 HydrophobicContact CD1-CD2 3.91Å; L2-Y29 HydrophobicContact CD1-CE2 3.89Å; L2-Y29 HydrophobicContact CD2-CE2 4.05Å; L2-V31 HydrophobicContact CD1-CG1 4.39Å
3N78.3Confident82Confident86 Ų8692.2 Ų92.246%0.4649%0.494SS..  trans-79.3123.6170-66.5-30.1000107.6M1 D5 E6M1-N3 PolarHBondContact O-N 3.29Å; N3-D5 PolarHBondContact O-N 3.23Å; N3-E6 HydrophobicContact CB-CB 3.74Å; N3-E6 PolarHBondContact ND2-OE2 3.47Å; N3-E6 PolarHBondContact O-N 3.27Å; N3-E6 VanDerWaalsContact O-N 3.12Å
4P77.9Confident82.7Confident108 Ų10891.5 Ų91.570%0.70150%0.5SS*.THydrogen-bonded Turntrans-61.2-27.6-175.5-26.135.8000114.5
5D81.1Confident83.4Confident155 Ų15591.1 Ų91.183%0.82949%0.488SS*.THydrogen-bonded Turntrans-90.8-1.2-178.5-48.8-62000113.1N3N3-D5 PolarHBondContact O-N 3.23Å
6E87.3Confident84.3Confident104 Ų10489.9 Ų89.949%0.48648%0.475SS..SBendtrans-108.3127.6-178.5-165.9175.4176.400110.3N3 N8N3-E6 HydrophobicContact CB-CB 3.74Å; N3-E6 PolarHBondContact ND2-OE2 3.47Å; N3-E6 PolarHBondContact O-N 3.27Å; N3-E6 VanDerWaalsContact O-N 3.12Å; E6-N8 PolarHBondContact O-ND2 2.95Å
7P88.7Confident85.1Confident87 Ų8788.3 Ų88.357%0.56546%0.462SS*.  trans-72.9132.9179.529.3-34.3000111.2
8N89Confident85.8Confident37 Ų3784.7 Ų84.720%0.19844%0.441CS..  trans-109.6161.6179.9-61.1-94000111.6L2 E6 S10 T27 Y29L2-N8 HydrophobicContact CD2-CB 4.48Å; L2-N8 VanDerWaalsContact CD2-OD1 3.23Å; L2-N8 WeakPolarHBondContact CD2-OD1 3.42Å; E6-N8 PolarHBondContact O-ND2 2.95Å; N8-S10 PolarHBondContact O-N 3.39Å; N8-T27 WeakPolarHBondContact CB-O 3.49Å; N8-T27 PolarHBondContact N-O 3.21Å; N8-T27 WeakPolarHBondContact O-CA 3.5Å; N8-T27 WeakPolarHBondContact O-CB 3.26Å; N8-T27 WeakPolarHBondContact O-CG2 3.27Å; N8-Y29 HydrophobicContact CB-CD1 4.48Å; N8-Y29 HydrophobicContact CB-CE1 3.6Å; N8-Y29 HydrophobicContact CB-CE2 4.31Å; N8-Y29 VanDerWaalsContact CB-CZ 3.49Å; N8-Y29 VanDerWaalsContact CB-OH 3.3Å; N8-Y29 WeakPolarHBondContact CB-OH 3.36Å
9V88.6Confident86.4Confident101 Ų10180.2 Ų80.261%0.61242%0.418SS*.  trans-77.8120.3-177.7178.60000111.1Y11 I12 Y29V9-Y11 PolarHBondContact O-N 2.71Å; V9-I12 HydrophobicContact CB-CG2 4.22Å; V9-I12 HydrophobicContact CG1-CG2 4.25Å; V9-I12 WeakPolarHBondContact O-CG1 3.48Å; V9-I12 WeakPolarHBondContact O-CG2 3.44Å; V9-Y29 PolarHBondContact O-OH 2.78Å
10S86.9Confident86.9Confident23 Ų2376.2 Ų76.216%0.16140%0.397CS..SBendtrans-71.2-27.8-179.5580000114.4N8 I12 A26N8-S10 PolarHBondContact O-N 3.39Å; S10-I12 PolarHBondContact O-N 3.46Å; S10-A26 WeakPolarHBondContact CB-O 3.49Å
11Y88.1Confident87.4Confident167 Ų16772.7 Ų72.766%0.65538%0.378SS*.SBendtrans-80.147179.2-161.3-97.6000113.3V9 R18V9-Y11 PolarHBondContact O-N 2.71Å; Y11-R18 VanDerWaalsContact CE2-NH1 3.29Å
12I85Confident89.2Confident57 Ų5764.8 Ų64.829%0.29234%0.34SS..  trans-109.2173.2176.158.984.7000111.3V9 S10 R18 L22 I33V9-I12 HydrophobicContact CB-CG2 4.22Å; V9-I12 HydrophobicContact CG1-CG2 4.25Å; V9-I12 WeakPolarHBondContact O-CG1 3.48Å; V9-I12 WeakPolarHBondContact O-CG2 3.44Å; S10-I12 PolarHBondContact O-N 3.46Å; I12-R18 VanDerWaalsContact O-CZ 3.3Å; I12-R18 PolarHBondContact O-NE 2.69Å; I12-R18 PolarHBondContact O-NH2 3.28Å; I12-R18 VanDerWaalsContact O-NH2 3.13Å; I12-L22 HydrophobicContact CD1-CD1 3.56Å; I12-L22 HydrophobicContact CD1-CD2 4.16Å; I12-L22 HydrophobicContact CG1-CD1 4.37Å; I12-L22 HydrophobicContact CG1-CD2 4.32Å; I12-I33 HydrophobicContact CD1-CD1 3.62Å
13C85.3Confident90.3Very high54 Ų5464.3 Ų64.337%0.36534%0.337SS..SBendtrans63.3150.7-171.9-167.50000114.6R18C13-R18 PolarHBondContact O-NH2 3.29Å
14S91.5Very high91Very high83 Ų8360.6 Ų60.658%0.5832%0.317SS*.  trans-65.3133.4172.5-70.80000110.5Y16 Y17 R18S14-Y16 PolarHBondContact O-N 3.24Å; S14-Y16 VanDerWaalsContact O-N 3.11Å; S14-Y17 PolarHBondContact O-N 3.4Å; S14-R18 PolarHBondContact O-N 3.06Å
15R94.6Very high91.7Very high86 Ų8657 Ų5733%0.32530%0.299SS..G310 helixtrans-47.4-48.5-165-165.9-165.2-67150.2-6.8114.8Y17 R18 G54 E55 Q60R15-Y17 PolarHBondContact O-N 3.24Å; R15-Y17 VanDerWaalsContact O-N 3.16Å; R15-R18 VanDerWaalsContact O-CB 3.3Å; R15-R18 WeakPolarHBondContact O-CB 3.37Å; R15-R18 PolarHBondContact O-N 3.01Å; R15-R18 VanDerWaalsContact O-N 3.14Å; R15-G54 WeakPolarHBondContact CD-O 3.44Å; R15-G54 PolarHBondContact NH1-O 3.18Å; R15-E55 PolarHBondContact NH1-O 3.34Å; R15-E55 IonicContact NH1-OE2 3.55Å; R15-E55 PolarHBondContact NH2-O 3.08Å; R15-Q60 HydrophobicContact CG-CG 4.44Å; R15-Q60 PolarHBondContact O-NE2 3.46Å; R15-Q60 PolarHBondContact O-OE1 3.16Å
16Y97.2Very high92.2Very high71 Ų7149.9 Ų49.928%0.27826%0.262SS..G310 helixtrans-64.7-18.3-176.8-59.2-21.5000114.9S14 P50 F52 P53 G54 Q60S14-Y16 PolarHBondContact O-N 3.24Å; S14-Y16 VanDerWaalsContact O-N 3.11Å; Y16-P50 HydrophobicContact CD2-CB 3.71Å; Y16-P50 HydrophobicContact CD2-CG 3.75Å; Y16-P50 HydrophobicContact CE2-CB 4.23Å; Y16-P50 HydrophobicContact CE2-CG 4Å; Y16-P50 HydrophobicContact CG-CB 4.2Å; Y16-F52 WeakPolarHBondContact CD1-O 3.29Å; Y16-P53 HydrophobicContact CE1-CB 4.29Å; Y16-G54 WeakPolarHBondContact CE1-O 3.46Å; Y16-Q60 PolarHBondContact O-NE2 3.04Å
17Y97.8Very high92.5Very high63 Ų6347.5 Ų47.525%0.24725%0.254CS..G310 helixtrans-110.31.1-179.2-46.9-89.3000112S14 R15 A19 S37 C40 V41 E44S14-Y17 PolarHBondContact O-N 3.4Å; R15-Y17 PolarHBondContact O-N 3.24Å; R15-Y17 VanDerWaalsContact O-N 3.16Å; Y17-A19 PolarHBondContact O-N 2.97Å; Y17-S37 PolarHBondContact O-OG 2.89Å; Y17-S37 VanDerWaalsContact O-OG 3.12Å; Y17-C40 HydrophobicContact CD1-CB 3.78Å; Y17-V41 HydrophobicContact CD1-CG2 3.84Å; Y17-V41 HydrophobicContact CE1-CG2 3.74Å; Y17-E44 WeakPolarHBondContact CE1-OE2 3.44Å; Y17-E44 PolarHBondContact OH-OE2 3.06Å
18R97.3Very high92.6Very high23 Ų2348.6 Ų48.69%0.08725%0.252CS..  trans-68.5128.9-176.2-174.4172.9-67.2173.7-0.6110.7Y11 I12 C13 S14 R15 L22 I23 W36Y11-R18 VanDerWaalsContact CE2-NH1 3.29Å; I12-R18 VanDerWaalsContact O-CZ 3.3Å; I12-R18 PolarHBondContact O-NE 2.69Å; I12-R18 PolarHBondContact O-NH2 3.28Å; I12-R18 VanDerWaalsContact O-NH2 3.13Å; C13-R18 PolarHBondContact O-NH2 3.29Å; S14-R18 PolarHBondContact O-N 3.06Å; R15-R18 VanDerWaalsContact O-CB 3.3Å; R15-R18 WeakPolarHBondContact O-CB 3.37Å; R15-R18 PolarHBondContact O-N 3.01Å; R15-R18 VanDerWaalsContact O-N 3.14Å; R18-L22 HydrophobicContact CG-CB 3.64Å; R18-L22 HydrophobicContact CG-CD1 3.94Å; R18-L22 HydrophobicContact CG-CG 4.45Å; R18-I23 HydrophobicContact CG-CG1 4.07Å; R18-W36 PolarHBondContact O-NE1 3.36Å
19A97.8Very high92.8Very high0 Ų048.1 Ų48.10%025%0.247CC..  trans-66.8146.517700000111.9Y17 E21 L22 I23 I33 W36Y17-A19 PolarHBondContact O-N 2.97Å; A19-E21 VanDerWaalsContact C-N 3.31Å; A19-E21 HydrophobicContact CB-CG 4.45Å; A19-E21 VanDerWaalsContact CB-OE2 3.32Å; A19-E21 WeakPolarHBondContact CB-OE2 3.49Å; A19-E21 PolarHBondContact O-N 2.92Å; A19-L22 HydrophobicContact CB-CD1 4.27Å; A19-L22 HydrophobicContact CB-CG 4.46Å; A19-L22 WeakPolarHBondContact O-CB 3.46Å; A19-L22 PolarHBondContact O-N 2.8Å; A19-I23 PolarHBondContact O-N 2.85Å; A19-I33 HydrophobicContact CB-CB 3.98Å; A19-I33 HydrophobicContact CB-CG2 3.85Å; A19-W36 HydrophobicContact CB-CB 3.9Å; A19-W36 HydrophobicContact CB-CD2 4.46Å; A19-W36 HydrophobicContact CB-CG 3.79Å
20P97.1Very high93Very high0 Ų046.7 Ų46.70%024%0.239CC..Hα-helixtrans-62.5-33.8-172.225.1-35.3000113.1L22 I23 F24 W36 M79 Y119P20-L22 VanDerWaalsContact C-N 3.25Å; P20-L22 PolarHBondContact O-N 3.33Å; P20-I23 CarbonylContact O-C 3.47Å; P20-I23 WeakPolarHBondContact O-CA 3.15Å; P20-I23 WeakPolarHBondContact O-CB 3.28Å; P20-I23 PolarHBondContact O-N 2.74Å; P20-F24 HydrophobicContact CB-CE2 4.47Å; P20-F24 WeakPolarHBondContact O-CD2 3.41Å; P20-F24 PolarHBondContact O-N 2.81Å; P20-W36 HydrophobicContact CG-CE3 4.17Å; P20-W36 HydrophobicContact CG-CH2 4.02Å; P20-W36 HydrophobicContact CG-CZ2 4.39Å; P20-W36 HydrophobicContact CG-CZ3 3.9Å; P20-M79 HydrophobicContact CB-SD 3.59Å; P20-M79 VanDerWaalsContact CB-SD 3.59Å; P20-M79 HydrophobicContact CG-SD 3.53Å; P20-M79 VanDerWaalsContact CG-SD 3.53Å; P20-Y119 HydrophobicContact CB-CD1 4.19Å; P20-Y119 HydrophobicContact CB-CE1 4.49Å; P20-Y119 HydrophobicContact CG-CD1 4.05Å
21E96.1Very high93.3Very high2 Ų247.8 Ų47.81%0.00925%0.245CC..Hα-helixtrans-58.1-35.2173.561.7-89.2-139.500113.2A19 F24 G25 A26 I33 M79 P121 R124A19-E21 VanDerWaalsContact C-N 3.31Å; A19-E21 HydrophobicContact CB-CG 4.45Å; A19-E21 VanDerWaalsContact CB-OE2 3.32Å; A19-E21 WeakPolarHBondContact CB-OE2 3.49Å; A19-E21 PolarHBondContact O-N 2.92Å; E21-F24 CarbonylContact O-C 3.39Å; E21-F24 PolarHBondContact O-N 2.78Å; E21-G25 PolarHBondContact O-N 3.31Å; E21-A26 HydrophobicContact CB-CB 4.08Å; E21-A26 WeakPolarHBondContact O-CB 3.32Å; E21-A26 PolarHBondContact O-N 2.94Å; E21-I33 HydrophobicContact CG-CG2 4.18Å; E21-I33 WeakPolarHBondContact OE1-CG2 3.26Å; E21-M79 HydrophobicContact CB-CB 3.88Å; E21-M79 HydrophobicContact CB-CG 4.2Å; E21-M79 WeakPolarHBondContact CB-O 3.3Å; E21-P121 HydrophobicContact CB-CG 4.49Å; E21-P121 HydrophobicContact CG-CG 4.34Å; E21-P121 WeakPolarHBondContact OE1-CG 3.44Å; E21-R124 IonicContact OE1-CZ 2.86Å; E21-R124 IonicContact OE1-NH1 2.55Å; E21-R124 PolarHBondContact OE1-NH1 3.45Å; E21-R124 IonicContact OE1-NH2 3.24Å; E21-R124 PolarHBondContact OE1-NH2 2.92Å; E21-R124 IonicContact OE2-CZ 3.62Å; E21-R124 IonicContact OE2-NH1 3.47Å; E21-R124 PolarHBondContact OE2-NH1 3.46Å; E21-R124 IonicContact OE2-NH2 2.72Å; E21-R124 PolarHBondContact OE2-NH2 3.32Å
22L96Very high93.7Very high7 Ų741.1 Ų41.14%0.03722%0.219CC..Hα-helixtrans-72.2-31.6175-60.9172.8000111.5I12 R18 A19 P20 G25 Y29 I33I12-L22 HydrophobicContact CD1-CD1 3.56Å; I12-L22 HydrophobicContact CD1-CD2 4.16Å; I12-L22 HydrophobicContact CG1-CD1 4.37Å; I12-L22 HydrophobicContact CG1-CD2 4.32Å; R18-L22 HydrophobicContact CG-CB 3.64Å; R18-L22 HydrophobicContact CG-CD1 3.94Å; R18-L22 HydrophobicContact CG-CG 4.45Å; A19-L22 HydrophobicContact CB-CD1 4.27Å; A19-L22 HydrophobicContact CB-CG 4.46Å; A19-L22 WeakPolarHBondContact O-CB 3.46Å; A19-L22 PolarHBondContact O-N 2.8Å; P20-L22 VanDerWaalsContact C-N 3.25Å; P20-L22 PolarHBondContact O-N 3.33Å; L22-G25 PolarHBondContact O-N 2.99Å; L22-Y29 HydrophobicContact CD2-CD1 3.4Å; L22-Y29 HydrophobicContact CD2-CD2 4.28Å; L22-Y29 HydrophobicContact CD2-CE1 3.45Å; L22-Y29 VanDerWaalsContact CD2-CE1 3.45Å; L22-Y29 HydrophobicContact CD2-CE2 4.34Å; L22-Y29 HydrophobicContact CD2-CG 3.82Å; L22-I33 HydrophobicContact CD1-CB 4.28Å; L22-I33 HydrophobicContact CD1-CD1 4.17Å; L22-I33 HydrophobicContact CD1-CG2 4.04Å; L22-I33 HydrophobicContact CD2-CG2 4.44Å; L22-I33 HydrophobicContact CG-CG2 4.12Å
23I94.2Very high94.2Very high36 Ų3639 Ų3919%0.18521%0.209CC..Hα-helixtrans-70.5-37.8173.2-53.6173.2000110.4R18 A19 P20 G25 G57 Q60 L61 I64R18-I23 HydrophobicContact CG-CG1 4.07Å; A19-I23 PolarHBondContact O-N 2.85Å; P20-I23 CarbonylContact O-C 3.47Å; P20-I23 WeakPolarHBondContact O-CA 3.15Å; P20-I23 WeakPolarHBondContact O-CB 3.28Å; P20-I23 PolarHBondContact O-N 2.74Å; I23-G25 PolarHBondContact O-N 2.82Å; I23-G57 VanDerWaalsContact CG2-O 3.24Å; I23-G57 WeakPolarHBondContact CG2-O 3.38Å; I23-Q60 HydrophobicContact CD1-CB 4.06Å; I23-Q60 HydrophobicContact CD1-CG 3.54Å; I23-L61 HydrophobicContact CG2-CB 4.2Å; I23-I64 HydrophobicContact CD1-CD1 3.76Å
24F92.8Very high94.7Very high8 Ų839.9 Ų39.94%0.03521%0.21CC..THydrogen-bonded Turntrans-71.93169.7-72.8-66.8000113.8P20 E21 A26 L61 I76 M79 N80 Y83 F88P20-F24 HydrophobicContact CB-CE2 4.47Å; P20-F24 WeakPolarHBondContact O-CD2 3.41Å; P20-F24 PolarHBondContact O-N 2.81Å; E21-F24 CarbonylContact O-C 3.39Å; E21-F24 PolarHBondContact O-N 2.78Å; F24-A26 PolarHBondContact O-N 3.41Å; F24-L61 HydrophobicContact CE1-CD2 4.01Å; F24-L61 HydrophobicContact CE2-CD1 4.1Å; F24-L61 HydrophobicContact CE2-CD2 4.36Å; F24-L61 HydrophobicContact CZ-CD1 4.13Å; F24-L61 HydrophobicContact CZ-CD2 3.75Å; F24-I76 HydrophobicContact CZ-CG1 4.49Å; F24-M79 HydrophobicContact CD2-CB 4.24Å; F24-M79 HydrophobicContact CD2-CE 3.84Å; F24-M79 HydrophobicContact CD2-SD 4.03Å; F24-M79 HydrophobicContact CE2-CE 3.4Å; F24-M79 HydrophobicContact CE2-SD 4.02Å; F24-M79 HydrophobicContact CZ-CE 4.28Å; F24-N80 HydrophobicContact CB-CB 4.05Å; F24-N80 PolarHBondContact O-ND2 2.78Å; F24-Y83 HydrophobicContact CB-CD2 4.47Å; F24-Y83 AromaticContact CD1-CD1 3.61Å; F24-Y83 HydrophobicContact CD1-CD1 3.61Å; F24-Y83 AromaticContact CD1-CD2 3.86Å; F24-Y83 HydrophobicContact CD1-CD2 3.86Å; F24-Y83 AromaticContact CD1-CE1 3.55Å; F24-Y83 HydrophobicContact CD1-CE1 3.55Å; F24-Y83 AromaticContact CD1-CE2 3.81Å; F24-Y83 HydrophobicContact CD1-CE2 3.81Å; F24-Y83 AromaticContact CD1-CG 3.75Å; F24-Y83 HydrophobicContact CD1-CG 3.75Å; F24-Y83 AromaticContact CD1-CZ 3.64Å; F24-Y83 AromaticContact CE1-CD1 3.83Å; F24-Y83 HydrophobicContact CE1-CD1 3.83Å; F24-Y83 AromaticContact CE1-CE1 3.49Å; F24-Y83 HydrophobicContact CE1-CE1 3.49Å; F24-Y83 VanDerWaalsContact CE1-CE1 3.49Å; F24-Y83 HydrophobicContact CE1-CE2 4.46Å; F24-Y83 HydrophobicContact CE1-CG 4.43Å; F24-Y83 AromaticContact CE1-CZ 3.84Å; F24-F88 HydrophobicContact CE1-CE2 4.06Å; F24-F88 AromaticContact CE1-CZ 3.77Å; F24-F88 HydrophobicContact CE1-CZ 3.77Å; F24-F88 AromaticContact CZ-CE2 4Å; F24-F88 HydrophobicContact CZ-CE2 4Å; F24-F88 AromaticContact CZ-CZ 3.79Å; F24-F88 HydrophobicContact CZ-CZ 3.79Å
25G92.2Very high95Very high32 Ų3236.4 Ų36.433%0.3319%0.185SC..THydrogen-bonded Turntrans76.117.2174.200000115.2E21 L22 I23 T27E21-G25 PolarHBondContact O-N 3.31Å; L22-G25 PolarHBondContact O-N 2.99Å; I23-G25 PolarHBondContact O-N 2.82Å; G25-T27 PolarHBondContact O-N 3.1Å
26A93.1Very high95.2Very high6 Ų632.3 Ų32.35%0.0517%0.169CC..  trans-59.3131.2178.500000111.6S10 E21 F24 Y29 M79 N80S10-A26 WeakPolarHBondContact CB-O 3.49Å; E21-A26 HydrophobicContact CB-CB 4.08Å; E21-A26 WeakPolarHBondContact O-CB 3.32Å; E21-A26 PolarHBondContact O-N 2.94Å; F24-A26 PolarHBondContact O-N 3.41Å; A26-Y29 WeakPolarHBondContact O-CD1 3.46Å; A26-M79 WeakPolarHBondContact CB-O 3.33Å; A26-N80 HydrophobicContact CB-CB 4.19Å
27T92.6Very high95.3Very high54 Ų5430 Ų3033%0.33116%0.163SC..SBendtrans-96.8-24.3174520000112.6N8 G25N8-T27 WeakPolarHBondContact CB-O 3.49Å; N8-T27 PolarHBondContact N-O 3.21Å; N8-T27 WeakPolarHBondContact O-CA 3.5Å; N8-T27 WeakPolarHBondContact O-CB 3.26Å; N8-T27 WeakPolarHBondContact O-CG2 3.27Å; G25-T27 PolarHBondContact O-N 3.1Å
28H90.9Very high95.3Very high110 Ų11027.8 Ų27.851%0.50916%0.158SC..SBendtrans-103.972.5178-59.390.5000109.8
29Y92.7Very high95.3Very high27 Ų2726.7 Ų26.711%0.10615%0.154CC..  trans-105171.4174.957.2-96.8000111.3L2 N8 V9 L22 A26 I33L2-Y29 HydrophobicContact CD1-CD2 3.91Å; L2-Y29 HydrophobicContact CD1-CE2 3.89Å; L2-Y29 HydrophobicContact CD2-CE2 4.05Å; N8-Y29 HydrophobicContact CB-CD1 4.48Å; N8-Y29 HydrophobicContact CB-CE1 3.6Å; N8-Y29 HydrophobicContact CB-CE2 4.31Å; N8-Y29 VanDerWaalsContact CB-CZ 3.49Å; N8-Y29 VanDerWaalsContact CB-OH 3.3Å; N8-Y29 WeakPolarHBondContact CB-OH 3.36Å; V9-Y29 PolarHBondContact O-OH 2.78Å; L22-Y29 HydrophobicContact CD2-CD1 3.4Å; L22-Y29 HydrophobicContact CD2-CD2 4.28Å; L22-Y29 HydrophobicContact CD2-CE1 3.45Å; L22-Y29 VanDerWaalsContact CD2-CE1 3.45Å; L22-Y29 HydrophobicContact CD2-CE2 4.34Å; L22-Y29 HydrophobicContact CD2-CG 3.82Å; A26-Y29 WeakPolarHBondContact O-CD1 3.46Å; Y29-I33 HydrophobicContact CD2-CD1 3.79Å; Y29-I33 HydrophobicContact CD2-CG1 4.36Å; Y29-I33 HydrophobicContact CD2-CG2 4.01Å; Y29-I33 HydrophobicContact CE2-CD1 3.62Å; Y29-I33 HydrophobicContact CG-CG2 4.29Å
30T93Very high95.3Very high72 Ų7226.8 Ų26.844%0.44215%0.154SC..  trans-122.2174.8-179.565.10000110.6Q32 I33T30-Q32 PolarHBondContact O-N 3.43Å; T30-Q32 WeakPolarHBondContact OG1-CB 3.29Å; T30-Q32 VanDerWaalsContact OG1-CG 3.27Å; T30-Q32 WeakPolarHBondContact OG1-CG 3.49Å; T30-Q32 PolarHBondContact OG1-N 2.96Å; T30-I33 PolarHBondContact O-N 3.22Å; T30-I33 VanDerWaalsContact O-N 3.16Å
31V93.6Very high95.3Very high45 Ų4529.3 Ų29.327%0.27317%0.17SC..THydrogen-bonded Turntrans-54.6-11173.6-55.50000114.5L2 I33 D34 N335L2-V31 HydrophobicContact CD1-CG1 4.39Å; V31-I33 PolarHBondContact O-N 3.21Å; V31-I33 VanDerWaalsContact O-N 3.13Å; V31-D34 WeakPolarHBondContact O-CB 3.14Å; V31-D34 PolarHBondContact O-N 3.06Å; V31-N335 VanDerWaalsContact CB-OD1 3.3Å; V31-N335 WeakPolarHBondContact CB-OD1 3.3Å; V31-N335 WeakPolarHBondContact CG1-OD1 3.35Å
32Q95.9Very high95.3Very high27 Ų2730.5 Ų30.513%0.12618%0.176CC..Hα-helixtrans-63-13.2173.6-60-7385.700113.5T30 D34 M35 W36 P121 R124T30-Q32 PolarHBondContact O-N 3.43Å; T30-Q32 WeakPolarHBondContact OG1-CB 3.29Å; T30-Q32 VanDerWaalsContact OG1-CG 3.27Å; T30-Q32 WeakPolarHBondContact OG1-CG 3.49Å; T30-Q32 PolarHBondContact OG1-N 2.96Å; Q32-D34 VanDerWaalsContact C-N 3.26Å; Q32-M35 PolarHBondContact O-N 3.22Å; Q32-W36 PolarHBondContact O-N 3.4Å; Q32-P121 HydrophobicContact CB-CB 4.21Å; Q32-P121 WeakPolarHBondContact CG-O 3.03Å; Q32-P121 PolarHBondContact NE2-O 3.04Å; Q32-R124 PolarHBondContact NE2-O 3.34Å; Q32-R124 PolarHBondContact O-NH1 3.21Å
33I96.8Very high95.3Very high13 Ų1330.1 Ų30.17%0.06717%0.174CC..Hα-helixtrans-64.1-30.6167.664.5167.1000112.3I12 A19 E21 L22 Y29 T30 V31 W36 S37I12-I33 HydrophobicContact CD1-CD1 3.62Å; A19-I33 HydrophobicContact CB-CB 3.98Å; A19-I33 HydrophobicContact CB-CG2 3.85Å; E21-I33 HydrophobicContact CG-CG2 4.18Å; E21-I33 WeakPolarHBondContact OE1-CG2 3.26Å; L22-I33 HydrophobicContact CD1-CB 4.28Å; L22-I33 HydrophobicContact CD1-CD1 4.17Å; L22-I33 HydrophobicContact CD1-CG2 4.04Å; L22-I33 HydrophobicContact CD2-CG2 4.44Å; L22-I33 HydrophobicContact CG-CG2 4.12Å; Y29-I33 HydrophobicContact CD2-CD1 3.79Å; Y29-I33 HydrophobicContact CD2-CG1 4.36Å; Y29-I33 HydrophobicContact CD2-CG2 4.01Å; Y29-I33 HydrophobicContact CE2-CD1 3.62Å; Y29-I33 HydrophobicContact CG-CG2 4.29Å; T30-I33 PolarHBondContact O-N 3.22Å; T30-I33 VanDerWaalsContact O-N 3.16Å; V31-I33 PolarHBondContact O-N 3.21Å; V31-I33 VanDerWaalsContact O-N 3.13Å; I33-W36 PolarHBondContact O-N 3.21Å; I33-S37 PolarHBondContact O-N 3.16Å; I33-S37 PolarHBondContact O-OG 3.11Å
34D96.5Very high95.3Very high72 Ų7230.7 Ų30.739%0.38518%0.176SC..Hα-helixtrans-73.8-37.3178.1-58.7-30.1000110.1V31 Q32 W36 S37 A38 N335V31-D34 WeakPolarHBondContact O-CB 3.14Å; V31-D34 PolarHBondContact O-N 3.06Å; Q32-D34 VanDerWaalsContact C-N 3.26Å; D34-W36 VanDerWaalsContact C-N 3.32Å; D34-W36 PolarHBondContact O-N 2.73Å; D34-S37 WeakPolarHBondContact O-CB 3.21Å; D34-S37 PolarHBondContact O-N 3.45Å; D34-S37 VanDerWaalsContact O-N 3.16Å; D34-A38 WeakPolarHBondContact O-CB 3.17Å; D34-A38 PolarHBondContact O-N 3.29Å; D34-N335 PolarHBondContact OD2-ND2 3.27Å
35M97.8Very high95.4Very high11 Ų1137 Ų375%0.05421%0.209CC..Hα-helixtrans-63.2-39174.7-58.5-49.7-50.400111.7Q32 G39 L116 A127 I130Q32-M35 PolarHBondContact O-N 3.22Å; M35-G39 PolarHBondContact O-N 3.45Å; M35-L116 HydrophobicContact CB-CD2 4.15Å; M35-L116 HydrophobicContact CE-CD2 3.47Å; M35-L116 VanDerWaalsContact CE-CD2 3.47Å; M35-A127 HydrophobicContact CE-CB 4.22Å; M35-A127 HydrophobicContact SD-CB 4.1Å; M35-I130 HydrophobicContact CE-CG1 4.26Å
36W98.4Very high95.4Very high0 Ų037 Ų370%020%0.201CC..Hα-helixtrans-62.6-46.7170.6176.6-81.7000111.7R18 A19 P20 Q32 I33 D34 A38 G39 C40 F52 I64 L68 L117R18-W36 PolarHBondContact O-NE1 3.36Å; A19-W36 HydrophobicContact CB-CB 3.9Å; A19-W36 HydrophobicContact CB-CD2 4.46Å; A19-W36 HydrophobicContact CB-CG 3.79Å; P20-W36 HydrophobicContact CG-CE3 4.17Å; P20-W36 HydrophobicContact CG-CH2 4.02Å; P20-W36 HydrophobicContact CG-CZ2 4.39Å; P20-W36 HydrophobicContact CG-CZ3 3.9Å; Q32-W36 PolarHBondContact O-N 3.4Å; I33-W36 PolarHBondContact O-N 3.21Å; D34-W36 VanDerWaalsContact C-N 3.32Å; D34-W36 PolarHBondContact O-N 2.73Å; W36-A38 VanDerWaalsContact C-N 3.32Å; W36-A38 PolarHBondContact O-N 3Å; W36-G39 WeakPolarHBondContact O-CA 3.13Å; W36-G39 PolarHBondContact O-N 3.49Å; W36-G39 VanDerWaalsContact O-N 3.11Å; W36-C40 PolarHBondContact NE1-SG 2.89Å; W36-C40 PolarHBondContact O-N 3.28Å; W36-C40 PolarHBondContact O-SG 2.87Å; W36-F52 HydrophobicContact CH2-CE2 4.42Å; W36-F52 HydrophobicContact CZ2-CD2 4.29Å; W36-F52 AromaticContact CZ2-CE2 3.74Å; W36-F52 HydrophobicContact CZ2-CE2 3.74Å; W36-F52 HydrophobicContact CZ2-CZ 4.36Å; W36-I64 HydrophobicContact CH2-CD1 4.36Å; W36-I64 HydrophobicContact CH2-CG1 4.43Å; W36-I64 HydrophobicContact CH2-CG2 3.75Å; W36-I64 HydrophobicContact CZ2-CD1 3.71Å; W36-I64 HydrophobicContact CZ2-CG1 3.94Å; W36-I64 HydrophobicContact CZ2-CG2 4.12Å; W36-L68 HydrophobicContact CH2-CD1 3.67Å; W36-L68 HydrophobicContact CZ3-CD1 3.96Å; W36-L117 HydrophobicContact CD2-CD2 3.86Å; W36-L117 HydrophobicContact CE3-CD2 4.03Å; W36-L117 HydrophobicContact CG-CD2 4.33Å; W36-L117 HydrophobicContact CH2-CD2 4.41Å; W36-L117 HydrophobicContact CZ2-CD2 4.24Å; W36-L117 HydrophobicContact CZ3-CB 4.31Å; W36-L117 HydrophobicContact CZ3-CD2 4.31Å
37S98.2Very high95.4Very high21 Ų2138.4 Ų38.415%0.14721%0.208CC..Hα-helixtrans-59.5-42.6179.3-56.60000111.5Y17 I33 D34 C40 V41Y17-S37 PolarHBondContact O-OG 2.89Å; Y17-S37 VanDerWaalsContact O-OG 3.12Å; I33-S37 PolarHBondContact O-N 3.16Å; I33-S37 PolarHBondContact O-OG 3.11Å; D34-S37 WeakPolarHBondContact O-CB 3.21Å; D34-S37 PolarHBondContact O-N 3.45Å; D34-S37 VanDerWaalsContact O-N 3.16Å; S37-C40 WeakPolarHBondContact O-CB 3.1Å; S37-C40 PolarHBondContact O-N 3.25Å; S37-V41 WeakPolarHBondContact O-CG2 3.37Å; S37-V41 PolarHBondContact O-N 3.01Å
38A97.6Very high95.4Very high18 Ų1839.3 Ų39.315%0.14923%0.228CC..Hα-helixtrans-62.8-40.1174.100000112.4D34 W36 C40 V41 I42D34-A38 WeakPolarHBondContact O-CB 3.17Å; D34-A38 PolarHBondContact O-N 3.29Å; W36-A38 VanDerWaalsContact C-N 3.32Å; W36-A38 PolarHBondContact O-N 3Å; A38-C40 VanDerWaalsContact C-N 3.32Å; A38-C40 PolarHBondContact O-N 3.3Å; A38-V41 PolarHBondContact O-N 3.09Å; A38-I42 WeakPolarHBondContact O-CG1 3.41Å; A38-I42 PolarHBondContact O-N 3.35Å
39G97.9Very high95.6Very high0 Ų039.7 Ų39.70%023%0.225CC..Hα-helixtrans-60.3-40.3172.300000112.7M35 W36 I42 G43 L113M35-G39 PolarHBondContact O-N 3.45Å; W36-G39 WeakPolarHBondContact O-CA 3.13Å; W36-G39 PolarHBondContact O-N 3.49Å; W36-G39 VanDerWaalsContact O-N 3.11Å; G39-I42 PolarHBondContact O-N 3.03Å; G39-G43 PolarHBondContact O-N 3.34Å; G39-L113 VanDerWaalsContact O-CD2 3.31Å; G39-L113 WeakPolarHBondContact O-CD2 3.39Å
40C98.1Very high95.8Very high1 Ų139.9 Ų39.91%0.00723%0.229CC..Hα-helixtrans-63.8-43.2175.6-63.90000111.7Y17 W36 S37 A38 G43 E44Y17-C40 HydrophobicContact CD1-CB 3.78Å; W36-C40 PolarHBondContact NE1-SG 2.89Å; W36-C40 PolarHBondContact O-N 3.28Å; W36-C40 PolarHBondContact O-SG 2.87Å; S37-C40 WeakPolarHBondContact O-CB 3.1Å; S37-C40 PolarHBondContact O-N 3.25Å; A38-C40 VanDerWaalsContact C-N 3.32Å; A38-C40 PolarHBondContact O-N 3.3Å; C40-G43 PolarHBondContact O-N 2.91Å; C40-E44 WeakPolarHBondContact O-CB 3.36Å; C40-E44 PolarHBondContact O-N 2.96Å
41V97.6Very high95.9Very high53 Ų5336.8 Ų36.832%0.32121%0.21SC..Hα-helixtrans-63.4-45.5176.1173.10000111.7Y17 S37 A38 G43 E44 L45Y17-V41 HydrophobicContact CD1-CG2 3.84Å; Y17-V41 HydrophobicContact CE1-CG2 3.74Å; S37-V41 WeakPolarHBondContact O-CG2 3.37Å; S37-V41 PolarHBondContact O-N 3.01Å; A38-V41 PolarHBondContact O-N 3.09Å; V41-G43 VanDerWaalsContact C-N 3.3Å; V41-G43 PolarHBondContact O-N 3.43Å; V41-E44 PolarHBondContact O-N 3.01Å; V41-L45 HydrophobicContact CG1-CD1 4.17Å; V41-L45 WeakPolarHBondContact O-CG 3.4Å; V41-L45 PolarHBondContact O-N 2.98Å
42I95.2Very high96.1Very high27 Ų2734.7 Ų34.714%0.13820%0.197CC..Hα-helixtrans-61-42.7176.5-67.4165.3000110.3A38 G39 L45 L46 V112 L113 L116 F135A38-I42 WeakPolarHBondContact O-CG1 3.41Å; A38-I42 PolarHBondContact O-N 3.35Å; G39-I42 PolarHBondContact O-N 3.03Å; I42-L45 PolarHBondContact O-N 3.33Å; I42-L46 HydrophobicContact CG2-CD1 3.87Å; I42-L46 WeakPolarHBondContact O-CD1 3.25Å; I42-L46 VanDerWaalsContact O-CG 3.26Å; I42-L46 WeakPolarHBondContact O-CG 3.36Å; I42-L46 PolarHBondContact O-N 3.47Å; I42-L46 VanDerWaalsContact O-N 3.14Å; I42-V112 HydrophobicContact CD1-CG1 4.01Å; I42-L113 HydrophobicContact CB-CD2 4.08Å; I42-L113 HydrophobicContact CG2-CD2 3.84Å; I42-L113 HydrophobicContact CG2-CG 4.46Å; I42-L116 HydrophobicContact CD1-CD1 3.75Å; I42-F135 HydrophobicContact CG2-CE1 4.36Å
43G95.3Very high96.1Very high0 Ų035.6 Ų35.60%021%0.206CC..Hα-helixtrans-62.8-42176.600000112.9G39 C40 V41 L46 L47G39-G43 PolarHBondContact O-N 3.34Å; C40-G43 PolarHBondContact O-N 2.91Å; V41-G43 VanDerWaalsContact C-N 3.3Å; V41-G43 PolarHBondContact O-N 3.43Å; G43-L46 PolarHBondContact O-N 2.62Å; G43-L47 WeakPolarHBondContact O-CB 3.44Å; G43-L47 PolarHBondContact O-N 3.13Å
44E96.1Very high96.1Very high48 Ų4835 Ų3522%0.22420%0.202CC..Hα-helixtrans-63.9-42.4175.6171.3158.7-17000112.6Y17 C40 V41 L46 L47 G48 R49 P50Y17-E44 WeakPolarHBondContact CE1-OE2 3.44Å; Y17-E44 PolarHBondContact OH-OE2 3.06Å; C40-E44 WeakPolarHBondContact O-CB 3.36Å; C40-E44 PolarHBondContact O-N 2.96Å; V41-E44 PolarHBondContact O-N 3.01Å; E44-L46 VanDerWaalsContact C-N 3.26Å; E44-L46 PolarHBondContact O-N 2.99Å; E44-L47 PolarHBondContact O-N 3.48Å; E44-G48 WeakPolarHBondContact O-CA 3.28Å; E44-G48 PolarHBondContact O-N 3.2Å; E44-R49 WeakPolarHBondContact CA-O 3.36Å; E44-P50 WeakPolarHBondContact OE1-CD 3.36Å
45L93.6Very high95.9Very high141 Ų14138 Ų3874%0.73821%0.214SC*.Hα-helixtrans-62.3-32.7175.2-70.4172000112.7V41 I42V41-L45 HydrophobicContact CG1-CD1 4.17Å; V41-L45 WeakPolarHBondContact O-CG 3.4Å; V41-L45 PolarHBondContact O-N 2.98Å; I42-L45 PolarHBondContact O-N 3.33Å
46L92.6Very high95.7Very high30 Ų3039.6 Ų39.616%0.15723%0.226CC..Hα-helixtrans-80.8-33.3177.6-67.4162.4000112.8I42 G43 E44 I100 A109 L113I42-L46 HydrophobicContact CG2-CD1 3.87Å; I42-L46 WeakPolarHBondContact O-CD1 3.25Å; I42-L46 VanDerWaalsContact O-CG 3.26Å; I42-L46 WeakPolarHBondContact O-CG 3.36Å; I42-L46 PolarHBondContact O-N 3.47Å; I42-L46 VanDerWaalsContact O-N 3.14Å; G43-L46 PolarHBondContact O-N 2.62Å; E44-L46 VanDerWaalsContact C-N 3.26Å; E44-L46 PolarHBondContact O-N 2.99Å; L46-I100 HydrophobicContact CB-CD1 4.05Å; L46-I100 HydrophobicContact CB-CG2 4.1Å; L46-I100 WeakPolarHBondContact O-CG2 3.41Å; L46-A109 HydrophobicContact CD1-CB 3.76Å; L46-A109 HydrophobicContact CD2-CB 4.23Å; L46-L113 HydrophobicContact CD1-CD1 4Å; L46-L113 HydrophobicContact CD1-CG 4.46Å
47L92.7Very high95.4Very high37 Ų3741.3 Ų41.319%0.19424%0.244CC..Hα-helixtrans-90.6-23.4-175.9-172.660.8000113.4G43 E44 R49 L51 I100G43-L47 WeakPolarHBondContact O-CB 3.44Å; G43-L47 PolarHBondContact O-N 3.13Å; E44-L47 PolarHBondContact O-N 3.48Å; L47-R49 VanDerWaalsContact C-N 3.33Å; L47-R49 HydrophobicContact CD2-CG 4.04Å; L47-R49 HydrophobicContact CG-CG 3.87Å; L47-L51 HydrophobicContact CD2-CD1 3.94Å; L47-I100 HydrophobicContact CD1-CG1 4.43Å
48G93Very high95.1Very high72 Ų7244.2 Ų44.274%0.74226%0.261SS*.THydrogen-bonded Turntrans79.69-176.700000115E44E44-G48 WeakPolarHBondContact O-CA 3.28Å; E44-G48 PolarHBondContact O-N 3.2Å
49R94.4Very high94.9Very high118 Ų11846.7 Ų46.745%0.44527%0.272SS..SBendtrans-158.6162.217859.9166.7-175.883.3-6109.6E44 L47 L51E44-R49 WeakPolarHBondContact CA-O 3.36Å; L47-R49 VanDerWaalsContact C-N 3.33Å; L47-R49 HydrophobicContact CD2-CG 4.04Å; L47-R49 HydrophobicContact CG-CG 3.87Å; R49-L51 PolarHBondContact O-N 3.1Å
50P96.6Very high94.8Very high31 Ų3146.7 Ų46.720%0.20127%0.272CS..  trans-49.3132.7175.3-30.135.9000112.5Y16 E44Y16-P50 HydrophobicContact CD2-CB 3.71Å; Y16-P50 HydrophobicContact CD2-CG 3.75Å; Y16-P50 HydrophobicContact CE2-CB 4.23Å; Y16-P50 HydrophobicContact CE2-CG 4Å; Y16-P50 HydrophobicContact CG-CB 4.2Å; E44-P50 WeakPolarHBondContact OE1-CD 3.36Å
51L96.1Very high94.6Very high8 Ų847.2 Ų47.24%0.04228%0.275CS..SBendtrans-67.5-40.7-176.3-17663.8000111.6L47 R49 W96 L99 L117L47-L51 HydrophobicContact CD2-CD1 3.94Å; R49-L51 PolarHBondContact O-N 3.1Å; L51-W96 HydrophobicContact CD1-CZ3 4.45Å; L51-W96 HydrophobicContact CD2-CZ3 4.26Å; L51-L99 HydrophobicContact CD1-CD2 3.79Å; L51-L117 HydrophobicContact CD2-CD1 3.42Å; L51-L117 VanDerWaalsContact CD2-CD1 3.42Å
52F97.4Very high94.4Very high0 Ų046.5 Ų46.50%027%0.27CS..SBendtrans-126.384.4-177.8-53.1-56.6000110.6Y16 W36 G54 Q60 E63 I64 V67 L117Y16-F52 WeakPolarHBondContact CD1-O 3.29Å; W36-F52 HydrophobicContact CH2-CE2 4.42Å; W36-F52 HydrophobicContact CZ2-CD2 4.29Å; W36-F52 AromaticContact CZ2-CE2 3.74Å; W36-F52 HydrophobicContact CZ2-CE2 3.74Å; W36-F52 HydrophobicContact CZ2-CZ 4.36Å; F52-G54 PolarHBondContact O-N 2.95Å; F52-Q60 PolarHBondContact O-NE2 3.19Å; F52-Q60 PolarHBondContact O-OE1 2.79Å; F52-Q60 VanDerWaalsContact O-OE1 3.09Å; F52-E63 HydrophobicContact CB-CB 4.15Å; F52-E63 HydrophobicContact CD1-CB 4.4Å; F52-I64 HydrophobicContact CB-CG1 4.28Å; F52-I64 HydrophobicContact CD1-CB 4.47Å; F52-I64 HydrophobicContact CD1-CG1 3.91Å; F52-I64 HydrophobicContact CD2-CG1 3.97Å; F52-I64 HydrophobicContact CE1-CB 4.47Å; F52-I64 HydrophobicContact CE1-CG1 4.18Å; F52-I64 HydrophobicContact CE2-CG1 4.23Å; F52-I64 HydrophobicContact CG-CG1 3.8Å; F52-I64 HydrophobicContact CZ-CG1 4.33Å; F52-V67 HydrophobicContact CD1-CG2 4.38Å; F52-V67 HydrophobicContact CE1-CB 3.89Å; F52-V67 HydrophobicContact CE1-CG1 4.35Å; F52-V67 HydrophobicContact CE1-CG2 3.82Å; F52-L117 HydrophobicContact CE2-CD1 4.24Å; F52-L117 HydrophobicContact CE2-CD2 4.17Å; F52-L117 HydrophobicContact CZ-CD1 4.21Å
53P96.4Very high94.5Very high47 Ų4747.3 Ų47.331%0.30527%0.273SS..  trans-89.986.2-177.134-33.6000112.6Y16Y16-P53 HydrophobicContact CE1-CB 4.29Å
54G95.8Very high94.6Very high0 Ų047.3 Ų47.30%027%0.273CS..  trans-97.6140.9176.200000114.8R15 Y16 F52 Q60R15-G54 WeakPolarHBondContact CD-O 3.44Å; R15-G54 PolarHBondContact NH1-O 3.18Å; Y16-G54 WeakPolarHBondContact CE1-O 3.46Å; F52-G54 PolarHBondContact O-N 2.95Å; G54-Q60 VanDerWaalsContact N-OE1 3.11Å
55E94.2Very high94.6Very high134 Ų13445.3 Ų45.363%0.62626%0.264SS*.SBendtrans-86.1-26.6174-68.1-54.3152.700114R15R15-E55 PolarHBondContact NH1-O 3.34Å; R15-E55 IonicContact NH1-OE2 3.55Å; R15-E55 PolarHBondContact NH2-O 3.08Å
56S93.5Very high94.7Very high45 Ų4542.9 Ų42.932%0.31525%0.248SC..SBendtrans-123.6177.5169.472.50000111.5V58 D59 Q60S56-V58 VanDerWaalsContact C-N 3.26Å; S56-V58 PolarHBondContact O-N 3.42Å; S56-V58 PolarHBondContact OG-N 3.25Å; S56-D59 VanDerWaalsContact CB-OD2 3.23Å; S56-D59 WeakPolarHBondContact CB-OD2 3.01Å; S56-D59 PolarHBondContact N-OD2 3.42Å; S56-D59 PolarHBondContact O-N 3.31Å; S56-D59 VanDerWaalsContact OG-CG 3.23Å; S56-D59 PolarHBondContact OG-N 3.04Å; S56-D59 VanDerWaalsContact OG-N 3.11Å; S56-D59 PolarHBondContact OG-OD2 3.04Å; S56-Q60 WeakPolarHBondContact O-CB 3.46Å; S56-Q60 PolarHBondContact O-N 3.12Å
57G90.9Very high94.8Very high37 Ų3742 Ų4238%0.38124%0.243SC..Hα-helixtrans-62.9-33.5170.500000112.7I23 L61I23-G57 VanDerWaalsContact CG2-O 3.24Å; I23-G57 WeakPolarHBondContact CG2-O 3.38Å; G57-L61 PolarHBondContact O-N 2.88Å
58V91.4Very high95Very high81 Ų8142.6 Ų42.649%0.49125%0.246SC..Hα-helixtrans-71.1-44.9177.3-178.80000110.4S56 Q60 L61 V62S56-V58 VanDerWaalsContact C-N 3.26Å; S56-V58 PolarHBondContact O-N 3.42Å; S56-V58 PolarHBondContact OG-N 3.25Å; V58-Q60 VanDerWaalsContact C-N 3.3Å; V58-Q60 PolarHBondContact O-N 3.41Å; V58-L61 PolarHBondContact O-N 2.95Å; V58-L61 VanDerWaalsContact O-N 3.16Å; V58-V62 WeakPolarHBondContact O-CG2 3.1Å; V58-V62 PolarHBondContact O-N 2.91Å
59D94.1Very high95.2Very high70 Ų7039.4 Ų39.437%0.37421%0.213SC..Hα-helixtrans-62.7-39.9176.9-56.1-55.8000111.4S56 L61 V62 E63S56-D59 VanDerWaalsContact CB-OD2 3.23Å; S56-D59 WeakPolarHBondContact CB-OD2 3.01Å; S56-D59 PolarHBondContact N-OD2 3.42Å; S56-D59 PolarHBondContact O-N 3.31Å; S56-D59 VanDerWaalsContact OG-CG 3.23Å; S56-D59 PolarHBondContact OG-N 3.04Å; S56-D59 VanDerWaalsContact OG-N 3.11Å; S56-D59 PolarHBondContact OG-OD2 3.04Å; D59-L61 VanDerWaalsContact C-N 3.29Å; D59-L61 PolarHBondContact O-N 3.41Å; D59-V62 PolarHBondContact O-N 2.87Å; D59-V62 VanDerWaalsContact O-N 3.15Å; D59-E63 PolarHBondContact O-N 2.69Å
60Q95.2Very high95.3Very high0 Ų035.5 Ų35.50%020%0.203CC..Hα-helixtrans-57.1-44.1174.9-170.766.535.200111.2R15 Y16 I23 F52 G54 S56 V58 E63 I64R15-Q60 HydrophobicContact CG-CG 4.44Å; R15-Q60 PolarHBondContact O-NE2 3.46Å; R15-Q60 PolarHBondContact O-OE1 3.16Å; Y16-Q60 PolarHBondContact O-NE2 3.04Å; I23-Q60 HydrophobicContact CD1-CB 4.06Å; I23-Q60 HydrophobicContact CD1-CG 3.54Å; F52-Q60 PolarHBondContact O-NE2 3.19Å; F52-Q60 PolarHBondContact O-OE1 2.79Å; F52-Q60 VanDerWaalsContact O-OE1 3.09Å; G54-Q60 VanDerWaalsContact N-OE1 3.11Å; S56-Q60 WeakPolarHBondContact O-CB 3.46Å; S56-Q60 PolarHBondContact O-N 3.12Å; V58-Q60 VanDerWaalsContact C-N 3.3Å; V58-Q60 PolarHBondContact O-N 3.41Å; Q60-E63 PolarHBondContact O-N 2.99Å; Q60-I64 VanDerWaalsContact O-CG1 3.31Å; Q60-I64 WeakPolarHBondContact O-CG1 3.5Å; Q60-I64 PolarHBondContact O-N 3.39Å; Q60-I64 VanDerWaalsContact O-N 3.15Å
61L94.4Very high95.2Very high13 Ų1334.4 Ų34.47%0.06820%0.196CC..Hα-helixtrans-68.4-37.1176.6-173.555.1000112.4I23 F24 G57 V58 D59 I64 I65 F88I23-L61 HydrophobicContact CG2-CB 4.2Å; F24-L61 HydrophobicContact CE1-CD2 4.01Å; F24-L61 HydrophobicContact CE2-CD1 4.1Å; F24-L61 HydrophobicContact CE2-CD2 4.36Å; F24-L61 HydrophobicContact CZ-CD1 4.13Å; F24-L61 HydrophobicContact CZ-CD2 3.75Å; G57-L61 PolarHBondContact O-N 2.88Å; V58-L61 PolarHBondContact O-N 2.95Å; V58-L61 VanDerWaalsContact O-N 3.16Å; D59-L61 VanDerWaalsContact C-N 3.29Å; D59-L61 PolarHBondContact O-N 3.41Å; L61-I64 PolarHBondContact O-N 3.03Å; L61-I65 HydrophobicContact CD1-CD1 4.26Å; L61-I65 HydrophobicContact CD1-CG1 4.44Å; L61-I65 HydrophobicContact CG-CD1 3.98Å; L61-I65 WeakPolarHBondContact O-CB 3.42Å; L61-I65 VanDerWaalsContact O-CG1 3.3Å; L61-I65 WeakPolarHBondContact O-CG1 3.49Å; L61-I65 PolarHBondContact O-N 3.03Å; L61-F88 HydrophobicContact CD2-CE1 3.58Å; L61-F88 HydrophobicContact CD2-CZ 3.6Å; L61-F88 HydrophobicContact CG-CE1 4.15Å; L61-F88 HydrophobicContact CG-CZ 4.48Å
62V94.1Very high95.1Very high37 Ų3737.1 Ų37.122%0.22421%0.213CC..Hα-helixtrans-63.4-41174.3168.60000111.6V58 D59 I65 K66 F270V58-V62 WeakPolarHBondContact O-CG2 3.1Å; V58-V62 PolarHBondContact O-N 2.91Å; D59-V62 PolarHBondContact O-N 2.87Å; D59-V62 VanDerWaalsContact O-N 3.15Å; V62-I65 PolarHBondContact O-N 3.04Å; V62-K66 HydrophobicContact CG1-CD 4.3Å; V62-K66 VanDerWaalsContact O-CG 3.3Å; V62-K66 WeakPolarHBondContact O-CG 3.46Å; V62-K66 PolarHBondContact O-N 3.5Å; V62-F270 HydrophobicContact CG2-CE2 4.42Å; V62-F270 HydrophobicContact CG2-CZ 4.35Å
63E96.4Very high94.8Very high45 Ų4547.2 Ų47.221%0.2125%0.251CS..Hα-helixtrans-63.8-38.5173.7-68.2-53.4125.300112.5F52 D59 Q60 K66F52-E63 HydrophobicContact CB-CB 4.15Å; F52-E63 HydrophobicContact CD1-CB 4.4Å; D59-E63 PolarHBondContact O-N 2.69Å; Q60-E63 PolarHBondContact O-N 2.99Å; E63-K66 IonicContact OE1-NZ 2.66Å; E63-K66 PolarHBondContact OE1-NZ 2.88Å
64I97.4Very high94.7Very high0 Ų050.7 Ų50.70%026%0.263CS..Hα-helixtrans-63.9-47.3174.4-66165.3000110.8I23 W36 F52 Q60 L61 K66 V67 L68 Y119I23-I64 HydrophobicContact CD1-CD1 3.76Å; W36-I64 HydrophobicContact CH2-CD1 4.36Å; W36-I64 HydrophobicContact CH2-CG1 4.43Å; W36-I64 HydrophobicContact CH2-CG2 3.75Å; W36-I64 HydrophobicContact CZ2-CD1 3.71Å; W36-I64 HydrophobicContact CZ2-CG1 3.94Å; W36-I64 HydrophobicContact CZ2-CG2 4.12Å; F52-I64 HydrophobicContact CB-CG1 4.28Å; F52-I64 HydrophobicContact CD1-CB 4.47Å; F52-I64 HydrophobicContact CD1-CG1 3.91Å; F52-I64 HydrophobicContact CD2-CG1 3.97Å; F52-I64 HydrophobicContact CE1-CB 4.47Å; F52-I64 HydrophobicContact CE1-CG1 4.18Å; F52-I64 HydrophobicContact CE2-CG1 4.23Å; F52-I64 HydrophobicContact CG-CG1 3.8Å; F52-I64 HydrophobicContact CZ-CG1 4.33Å; Q60-I64 VanDerWaalsContact O-CG1 3.31Å; Q60-I64 WeakPolarHBondContact O-CG1 3.5Å; Q60-I64 PolarHBondContact O-N 3.39Å; Q60-I64 VanDerWaalsContact O-N 3.15Å; L61-I64 PolarHBondContact O-N 3.03Å; I64-K66 VanDerWaalsContact C-N 3.33Å; I64-K66 PolarHBondContact O-N 3.01Å; I64-V67 PolarHBondContact O-N 3.26Å; I64-V67 VanDerWaalsContact O-N 3.08Å; I64-L68 HydrophobicContact CG2-CD1 3.9Å; I64-L68 HydrophobicContact CG2-CG 4.34Å; I64-L68 PolarHBondContact O-N 3.28Å; I64-Y119 HydrophobicContact CG2-CE1 3.67Å
65I96.2Very high94.6Very high6 Ų653 Ų533%0.03127%0.274CS..Hα-helixtrans-63.9-35.2-179.7-71.1169000112.1L61 V62 V67 G69 F88 I91 Y119L61-I65 HydrophobicContact CD1-CD1 4.26Å; L61-I65 HydrophobicContact CD1-CG1 4.44Å; L61-I65 HydrophobicContact CG-CD1 3.98Å; L61-I65 WeakPolarHBondContact O-CB 3.42Å; L61-I65 VanDerWaalsContact O-CG1 3.3Å; L61-I65 WeakPolarHBondContact O-CG1 3.49Å; L61-I65 PolarHBondContact O-N 3.03Å; V62-I65 PolarHBondContact O-N 3.04Å; I65-V67 PolarHBondContact O-N 3.35Å; I65-G69 CarbonylContact O-C 3.55Å; I65-G69 WeakPolarHBondContact O-CA 3.48Å; I65-G69 PolarHBondContact O-N 3.42Å; I65-F88 HydrophobicContact CD1-CD1 3.39Å; I65-F88 HydrophobicContact CD1-CE1 3.73Å; I65-F88 HydrophobicContact CD1-CG 4.02Å; I65-I91 HydrophobicContact CG2-CB 3.81Å; I65-I91 HydrophobicContact CG2-CD1 3.8Å; I65-I91 HydrophobicContact CG2-CG1 4.31Å; I65-I91 HydrophobicContact CG2-CG2 4.12Å; I65-Y119 WeakPolarHBondContact CG1-OH 3.31Å
66K95Very high94.6Very high90 Ų9047.7 Ų47.739%0.39125%0.25SC..Hα-helixtrans-59.2-28.5173.7-77.3164.6177.91650113.2V62 E63 I64V62-K66 HydrophobicContact CG1-CD 4.3Å; V62-K66 VanDerWaalsContact O-CG 3.3Å; V62-K66 WeakPolarHBondContact O-CG 3.46Å; V62-K66 PolarHBondContact O-N 3.5Å; E63-K66 IonicContact OE1-NZ 2.66Å; E63-K66 PolarHBondContact OE1-NZ 2.88Å; I64-K66 VanDerWaalsContact C-N 3.33Å; I64-K66 PolarHBondContact O-N 3.01Å
67V96Very high94.6Very high11 Ų1151 Ų517%0.06726%0.26CS..Hα-helixtrans-96.7-54.2-178.7-179.70000111.5F52 I64 I65 G93 C94 W96 L99F52-V67 HydrophobicContact CD1-CG2 4.38Å; F52-V67 HydrophobicContact CE1-CB 3.89Å; F52-V67 HydrophobicContact CE1-CG1 4.35Å; F52-V67 HydrophobicContact CE1-CG2 3.82Å; I64-V67 PolarHBondContact O-N 3.26Å; I64-V67 VanDerWaalsContact O-N 3.08Å; I65-V67 PolarHBondContact O-N 3.35Å; V67-G93 CarbonylContact O-C 3.55Å; V67-G93 WeakPolarHBondContact O-CA 3.48Å; V67-C94 PolarHBondContact O-N 2.96Å; V67-W96 HydrophobicContact CG1-CE3 4.24Å; V67-W96 HydrophobicContact CG1-CH2 3.65Å; V67-W96 HydrophobicContact CG1-CZ2 4.48Å; V67-W96 HydrophobicContact CG1-CZ3 3.52Å; V67-L99 HydrophobicContact CG1-CD2 3.91Å; V67-L99 HydrophobicContact CG2-CD2 3.91Å
68L97.3Very high94.8Very high49 Ų4952.5 Ų52.526%0.25726%0.257SS..Hα-helixtrans-85.2-13.6-174.3-59-174.5000113.8W36 I64 W96 L117 Y119W36-L68 HydrophobicContact CH2-CD1 3.67Å; W36-L68 HydrophobicContact CZ3-CD1 3.96Å; I64-L68 HydrophobicContact CG2-CD1 3.9Å; I64-L68 HydrophobicContact CG2-CG 4.34Å; I64-L68 PolarHBondContact O-N 3.28Å; L68-W96 HydrophobicContact CD2-CH2 3.99Å; L68-W96 HydrophobicContact CD2-CZ2 3.88Å; L68-L117 WeakPolarHBondContact CD1-O 3.17Å; L68-L117 HydrophobicContact CD2-CB 4.45Å; L68-L117 WeakPolarHBondContact CD2-O 3.25Å; L68-Y119 HydrophobicContact CB-CE2 3.81Å; L68-Y119 HydrophobicContact CD1-CE1 4.41Å; L68-Y119 HydrophobicContact CD1-CE2 4.28Å
69G96.8Very high95Very high5 Ų549 Ų495%0.05224%0.235CC..  trans81.8174.7-167.800000112.3I65 I91 G93 Y119I65-G69 CarbonylContact O-C 3.55Å; I65-G69 WeakPolarHBondContact O-CA 3.48Å; I65-G69 PolarHBondContact O-N 3.42Å; G69-I91 CarbonylContact C-O 3.57Å; G69-I91 WeakPolarHBondContact CA-O 3.45Å; G69-G93 VanDerWaalsContact N-CA 3.32Å; G69-Y119 WeakPolarHBondContact O-CE2 3.4Å; G69-Y119 PolarHBondContact O-OH 2.92Å
70T95.6Very high95Very high36 Ų3646.7 Ų46.722%0.22122%0.223CC..PPolyproline II helixtrans-68.4128.5179.7-62.80000111.2F88 P89 I91T70-F88 HydrophobicContact CG2-CB 3.52Å; T70-F88 HydrophobicContact CG2-CG 4.32Å; T70-P89 PolarHBondContact OG1-O 3.34Å; T70-I91 PolarHBondContact N-O 3.01Å; T70-I91 PolarHBondContact OG1-N 2.94Å
71P95.3Very high94.8Very high8 Ų850.6 Ų50.65%0.05225%0.248CC..PPolyproline II helixtrans-65.6145.8179.127-34.3000111.5Q75 I76 M79 F88 Y119P71-Q75 HydrophobicContact CB-CB 4.2Å; P71-I76 HydrophobicContact CB-CG1 4.05Å; P71-I76 HydrophobicContact CG-CD1 4.17Å; P71-I76 HydrophobicContact CG-CG1 3.91Å; P71-M79 HydrophobicContact CB-CE 4.22Å; P71-F88 HydrophobicContact CG-CD2 4.45Å; P71-Y119 HydrophobicContact CB-CD1 4.14Å; P71-Y119 HydrophobicContact CB-CD2 3.73Å; P71-Y119 HydrophobicContact CB-CE1 4.14Å; P71-Y119 HydrophobicContact CB-CE2 3.73Å; P71-Y119 HydrophobicContact CB-CG 3.94Å; P71-Y119 HydrophobicContact CG-CE1 4.29Å; P71-Y119 HydrophobicContact CG-CE2 4.39Å
72T93.6Very high94.5Very high66 Ų6657.4 Ų57.441%0.40528%0.279SS..PPolyproline II helixtrans-72.4165.1173.584.30000111.2E74 Q75 I76T72-E74 WeakPolarHBondContact CB-OE2 3.48Å; T72-E74 PolarHBondContact O-N 3.11Å; T72-E74 PolarHBondContact OG1-N 3.33Å; T72-E74 PolarHBondContact OG1-OE2 2.92Å; T72-Q75 PolarHBondContact O-N 3.28Å; T72-Q75 PolarHBondContact OG1-N 3.3Å; T72-I76 WeakPolarHBondContact O-CG1 3.43Å; T72-I76 PolarHBondContact O-N 2.93Å
73R91.3Very high94Very high211 Ų21159.1 Ų59.180%0.79628%0.282SS*.Hα-helixtrans-59.3-37.1177.8-176.8-178.1180-170-0.8111.7I76 H77R73-I76 PolarHBondContact O-N 3.33Å; R73-H77 WeakPolarHBondContact O-CB 3.34Å; R73-H77 PolarHBondContact O-N 2.92Å
74E93.5Very high92.9Very high121 Ų12162 Ų6257%0.56531%0.307SS*.Hα-helixtrans-67.2-43.1178.9-55.965.7-137.600110.2T72 H77 E78T72-E74 WeakPolarHBondContact CB-OE2 3.48Å; T72-E74 PolarHBondContact O-N 3.11Å; T72-E74 PolarHBondContact OG1-N 3.33Å; T72-E74 PolarHBondContact OG1-OE2 2.92Å; E74-H77 PolarHBondContact O-N 2.9Å; E74-E78 WeakPolarHBondContact O-CG 3.4Å; E74-E78 PolarHBondContact O-N 3.07Å
75Q95.2Very high91.4Very high48 Ų4869.8 Ų69.822%0.22434%0.344CS..Hα-helixtrans-64.3-41.8175.1-68.6176-27.500112.2P71 T72 E78 M79P71-Q75 HydrophobicContact CB-CB 4.2Å; T72-Q75 PolarHBondContact O-N 3.28Å; T72-Q75 PolarHBondContact OG1-N 3.3Å; Q75-E78 PolarHBondContact O-N 3.4Å; Q75-M79 WeakPolarHBondContact O-CE 3.36Å; Q75-M79 WeakPolarHBondContact O-CG 3.17Å; Q75-M79 PolarHBondContact O-N 3.28Å; Q75-M79 VanDerWaalsContact O-N 3.08Å
76I94Very high90.1Very high23 Ų2373.4 Ų73.412%0.11836%0.359CS..Hα-helixtrans-60.7-46.7174.2-65.1167.3000110.1F24 P71 T72 R73 E78 M79 N80 Y83 F88F24-I76 HydrophobicContact CZ-CG1 4.49Å; P71-I76 HydrophobicContact CB-CG1 4.05Å; P71-I76 HydrophobicContact CG-CD1 4.17Å; P71-I76 HydrophobicContact CG-CG1 3.91Å; T72-I76 WeakPolarHBondContact O-CG1 3.43Å; T72-I76 PolarHBondContact O-N 2.93Å; R73-I76 PolarHBondContact O-N 3.33Å; I76-E78 VanDerWaalsContact C-N 3.34Å; I76-E78 PolarHBondContact O-N 2.95Å; I76-M79 HydrophobicContact CG1-CE 4.36Å; I76-M79 PolarHBondContact O-N 3.13Å; I76-M79 VanDerWaalsContact O-N 3.11Å; I76-N80 PolarHBondContact O-N 3.3Å; I76-Y83 HydrophobicContact CG2-CD1 3.93Å; I76-F88 HydrophobicContact CD1-CD2 4.16Å; I76-F88 HydrophobicContact CD1-CE2 3.98Å
77H93.2Very high89.1Confident113 Ų11378.8 Ų78.852%0.52338%0.383SS..Hα-helixtrans-62.5-37.4178-177.976000112.8R73 E74 M79 N80 P81R73-H77 WeakPolarHBondContact O-CB 3.34Å; R73-H77 PolarHBondContact O-N 2.92Å; E74-H77 PolarHBondContact O-N 2.9Å; H77-M79 VanDerWaalsContact C-N 3.31Å; H77-M79 PolarHBondContact O-N 3.21Å; H77-N80 CarbonylContact O-C 3.51Å; H77-P81 VanDerWaalsContact O-CD 3.3Å; H77-P81 WeakPolarHBondContact O-CD 3.45Å; H77-P81 WeakPolarHBondContact O-CG 3.26Å
78E94.6Very high88.3Confident70 Ų7079.9 Ų79.933%0.32739%0.387SS..Hα-helixtrans-69.6-24.9173.8-76.5-170.1168.500114.2E74 Q75 I76 S120E74-E78 WeakPolarHBondContact O-CG 3.4Å; E74-E78 PolarHBondContact O-N 3.07Å; Q75-E78 PolarHBondContact O-N 3.4Å; I76-E78 VanDerWaalsContact C-N 3.34Å; I76-E78 PolarHBondContact O-N 2.95Å; E78-S120 WeakPolarHBondContact OE2-CB 3.44Å; E78-S120 PolarHBondContact OE2-OG 3.43Å
79M95Very high87.7Confident7 Ų780.7 Ų80.73%0.03440%0.395CS..Hα-helixtrans-83.3-46.3176.1-73.7-176.1-65.500112P20 E21 F24 A26 P71 Q75 I76 H77 Y119 P121P20-M79 HydrophobicContact CB-SD 3.59Å; P20-M79 VanDerWaalsContact CB-SD 3.59Å; P20-M79 HydrophobicContact CG-SD 3.53Å; P20-M79 VanDerWaalsContact CG-SD 3.53Å; E21-M79 HydrophobicContact CB-CB 3.88Å; E21-M79 HydrophobicContact CB-CG 4.2Å; E21-M79 WeakPolarHBondContact CB-O 3.3Å; F24-M79 HydrophobicContact CD2-CB 4.24Å; F24-M79 HydrophobicContact CD2-CE 3.84Å; F24-M79 HydrophobicContact CD2-SD 4.03Å; F24-M79 HydrophobicContact CE2-CE 3.4Å; F24-M79 HydrophobicContact CE2-SD 4.02Å; F24-M79 HydrophobicContact CZ-CE 4.28Å; A26-M79 WeakPolarHBondContact CB-O 3.33Å; P71-M79 HydrophobicContact CB-CE 4.22Å; Q75-M79 WeakPolarHBondContact O-CE 3.36Å; Q75-M79 WeakPolarHBondContact O-CG 3.17Å; Q75-M79 PolarHBondContact O-N 3.28Å; Q75-M79 VanDerWaalsContact O-N 3.08Å; I76-M79 HydrophobicContact CG1-CE 4.36Å; I76-M79 PolarHBondContact O-N 3.13Å; I76-M79 VanDerWaalsContact O-N 3.11Å; H77-M79 VanDerWaalsContact C-N 3.31Å; H77-M79 PolarHBondContact O-N 3.21Å; M79-Y119 HydrophobicContact CE-CD1 3.82Å; M79-Y119 HydrophobicContact CE-CG 4.18Å; M79-Y119 WeakPolarHBondContact CG-O 3.15Å; M79-Y119 HydrophobicContact SD-CD1 3.8Å; M79-Y119 HydrophobicContact SD-CG 4.31Å; M79-P121 HydrophobicContact CG-CG 4.34Å
80N94Very high87.4Confident21 Ų2186.9 Ų86.911%0.11243%0.427CS..  trans-150105.8171.1-175.9-2.4000110.6F24 A26 I76 H77 H82 Y83F24-N80 HydrophobicContact CB-CB 4.05Å; F24-N80 PolarHBondContact O-ND2 2.78Å; A26-N80 HydrophobicContact CB-CB 4.19Å; I76-N80 PolarHBondContact O-N 3.3Å; H77-N80 CarbonylContact O-C 3.51Å; N80-H82 PolarHBondContact O-N 3.2Å; N80-H82 VanDerWaalsContact O-N 3.13Å; N80-H82 PolarHBondContact OD1-N 3.34Å; N80-Y83 WeakPolarHBondContact O-CB 3.22Å; N80-Y83 PolarHBondContact O-N 3.3Å; N80-Y83 VanDerWaalsContact O-N 3.09Å
81P91.7Very high87.3Confident82 Ų8287.9 Ų87.953%0.53243%0.43SS..THydrogen-bonded Turntrans-58.2-25.6178.3-27.435.2000114.9H77 Y83H77-P81 VanDerWaalsContact O-CD 3.3Å; H77-P81 WeakPolarHBondContact O-CD 3.45Å; H77-P81 WeakPolarHBondContact O-CG 3.26Å; P81-Y83 VanDerWaalsContact C-N 3.35Å
82H88.3Confident87.2Confident156 Ų15694.9 Ų94.972%0.72246%0.462SS*.THydrogen-bonded Turntrans-87.7-1.9-178.4-56-71.9000113.4N80 S84N80-H82 PolarHBondContact O-N 3.2Å; N80-H82 VanDerWaalsContact O-N 3.13Å; N80-H82 PolarHBondContact OD1-N 3.34Å; H82-S84 PolarHBondContact O-N 2.91Å
83Y84.5Confident87.2Confident74 Ų7493.5 Ų93.529%0.2946%0.461SS..  trans-86.198.2-178.5-166-93.1000111.6F24 I76 N80 P81 F86F24-Y83 HydrophobicContact CB-CD2 4.47Å; F24-Y83 AromaticContact CD1-CD1 3.61Å; F24-Y83 HydrophobicContact CD1-CD1 3.61Å; F24-Y83 AromaticContact CD1-CD2 3.86Å; F24-Y83 HydrophobicContact CD1-CD2 3.86Å; F24-Y83 AromaticContact CD1-CE1 3.55Å; F24-Y83 HydrophobicContact CD1-CE1 3.55Å; F24-Y83 AromaticContact CD1-CE2 3.81Å; F24-Y83 HydrophobicContact CD1-CE2 3.81Å; F24-Y83 AromaticContact CD1-CG 3.75Å; F24-Y83 HydrophobicContact CD1-CG 3.75Å; F24-Y83 AromaticContact CD1-CZ 3.64Å; F24-Y83 AromaticContact CE1-CD1 3.83Å; F24-Y83 HydrophobicContact CE1-CD1 3.83Å; F24-Y83 AromaticContact CE1-CE1 3.49Å; F24-Y83 HydrophobicContact CE1-CE1 3.49Å; F24-Y83 VanDerWaalsContact CE1-CE1 3.49Å; F24-Y83 HydrophobicContact CE1-CE2 4.46Å; F24-Y83 HydrophobicContact CE1-CG 4.43Å; F24-Y83 AromaticContact CE1-CZ 3.84Å; I76-Y83 HydrophobicContact CG2-CD1 3.93Å; N80-Y83 WeakPolarHBondContact O-CB 3.22Å; N80-Y83 PolarHBondContact O-N 3.3Å; N80-Y83 VanDerWaalsContact O-N 3.09Å; P81-Y83 VanDerWaalsContact C-N 3.35Å; Y83-F86 HydrophobicContact CE1-CB 3.68Å; Y83-F86 WeakPolarHBondContact OH-CB 3.44Å
84S72.2Confident87.2Confident105 Ų10585.6 Ų85.673%0.73444%0.438SS*.  trans-100.1-7.9-176.845.90000115.4H82H82-S84 PolarHBondContact O-N 2.91Å
85E66.9Low87.2Confident163 Ų16382 Ų8276%0.76243%0.426SS*.  trans-118.435.8-151.7-56-161.4146.200116.7
86F68.2Low87.1Confident82 Ų8281.2 Ų81.236%0.3642%0.421SS..  trans-145.6131.9171.4-143.6-95.3000115.5Y83 F88 F270Y83-F86 HydrophobicContact CE1-CB 3.68Å; Y83-F86 WeakPolarHBondContact OH-CB 3.44Å; F86-F88 HydrophobicContact CB-CE2 4.02Å; F86-F88 HydrophobicContact CB-CZ 4.01Å; F86-F88 AromaticContact CD1-CD1 3.4Å; F86-F88 HydrophobicContact CD1-CD1 3.4Å; F86-F88 VanDerWaalsContact CD1-CD1 3.4Å; F86-F88 AromaticContact CD1-CD2 3.96Å; F86-F88 HydrophobicContact CD1-CD2 3.96Å; F86-F88 AromaticContact CD1-CE1 3.23Å; F86-F88 HydrophobicContact CD1-CE1 3.23Å; F86-F88 AromaticContact CD1-CE2 3.81Å; F86-F88 HydrophobicContact CD1-CE2 3.81Å; F86-F88 AromaticContact CD1-CG 3.74Å; F86-F88 HydrophobicContact CD1-CG 3.74Å; F86-F88 AromaticContact CD1-CZ 3.43Å; F86-F88 HydrophobicContact CD1-CZ 3.43Å; F86-F88 VanDerWaalsContact CD1-CZ 3.43Å; F86-F88 AromaticContact CE1-CD1 3.5Å; F86-F88 HydrophobicContact CE1-CD1 3.5Å; F86-F88 VanDerWaalsContact CE1-CD1 3.5Å; F86-F88 AromaticContact CE1-CE1 3.47Å; F86-F88 HydrophobicContact CE1-CE1 3.47Å; F86-F88 VanDerWaalsContact CE1-CE1 3.47Å; F86-F88 HydrophobicContact CE1-CG 4.18Å; F86-F88 HydrophobicContact CE1-CZ 4.14Å; F86-F88 HydrophobicContact CG-CE1 4.12Å; F86-F88 HydrophobicContact CG-CE2 4.31Å; F86-F88 AromaticContact CG-CZ 3.93Å; F86-F88 HydrophobicContact CG-CZ 3.93Å; F86-F88 HydrophobicContact CZ-CE1 4.5Å; F86-F270 HydrophobicContact CE1-CE1 4.16Å; F86-F270 HydrophobicContact CZ-CD1 4.04Å; F86-F270 AromaticContact CZ-CE1 3.82Å; F86-F270 HydrophobicContact CZ-CE1 3.82Å
87K73Confident86.9Confident204 Ų20484 Ų8489%0.88743%0.434SS*.  trans-103.6101.1165.1-70.2-175.8-178.7177.80108.5
88F79.2Confident86.8Confident34 Ų3485.7 Ų85.715%0.14944%0.439CS..  trans-69.4143.7170-62.4-76.2000110F24 L61 I65 T70 P71 I76 F86F24-F88 HydrophobicContact CE1-CE2 4.06Å; F24-F88 AromaticContact CE1-CZ 3.77Å; F24-F88 HydrophobicContact CE1-CZ 3.77Å; F24-F88 AromaticContact CZ-CE2 4Å; F24-F88 HydrophobicContact CZ-CE2 4Å; F24-F88 AromaticContact CZ-CZ 3.79Å; F24-F88 HydrophobicContact CZ-CZ 3.79Å; L61-F88 HydrophobicContact CD2-CE1 3.58Å; L61-F88 HydrophobicContact CD2-CZ 3.6Å; L61-F88 HydrophobicContact CG-CE1 4.15Å; L61-F88 HydrophobicContact CG-CZ 4.48Å; I65-F88 HydrophobicContact CD1-CD1 3.39Å; I65-F88 HydrophobicContact CD1-CE1 3.73Å; I65-F88 HydrophobicContact CD1-CG 4.02Å; T70-F88 HydrophobicContact CG2-CB 3.52Å; T70-F88 HydrophobicContact CG2-CG 4.32Å; P71-F88 HydrophobicContact CG-CD2 4.45Å; I76-F88 HydrophobicContact CD1-CD2 4.16Å; I76-F88 HydrophobicContact CD1-CE2 3.98Å; F86-F88 HydrophobicContact CB-CE2 4.02Å; F86-F88 HydrophobicContact CB-CZ 4.01Å; F86-F88 AromaticContact CD1-CD1 3.4Å; F86-F88 HydrophobicContact CD1-CD1 3.4Å; F86-F88 VanDerWaalsContact CD1-CD1 3.4Å; F86-F88 AromaticContact CD1-CD2 3.96Å; F86-F88 HydrophobicContact CD1-CD2 3.96Å; F86-F88 AromaticContact CD1-CE1 3.23Å; F86-F88 HydrophobicContact CD1-CE1 3.23Å; F86-F88 AromaticContact CD1-CE2 3.81Å; F86-F88 HydrophobicContact CD1-CE2 3.81Å; F86-F88 AromaticContact CD1-CG 3.74Å; F86-F88 HydrophobicContact CD1-CG 3.74Å; F86-F88 AromaticContact CD1-CZ 3.43Å; F86-F88 HydrophobicContact CD1-CZ 3.43Å; F86-F88 VanDerWaalsContact CD1-CZ 3.43Å; F86-F88 AromaticContact CE1-CD1 3.5Å; F86-F88 HydrophobicContact CE1-CD1 3.5Å; F86-F88 VanDerWaalsContact CE1-CD1 3.5Å; F86-F88 AromaticContact CE1-CE1 3.47Å; F86-F88 HydrophobicContact CE1-CE1 3.47Å; F86-F88 VanDerWaalsContact CE1-CE1 3.47Å; F86-F88 HydrophobicContact CE1-CG 4.18Å; F86-F88 HydrophobicContact CE1-CZ 4.14Å; F86-F88 HydrophobicContact CG-CE1 4.12Å; F86-F88 HydrophobicContact CG-CE2 4.31Å; F86-F88 AromaticContact CG-CZ 3.93Å; F86-F88 HydrophobicContact CG-CZ 3.93Å; F86-F88 HydrophobicContact CZ-CE1 4.5Å
89P85Confident86.7Confident65 Ų6584.3 Ų84.342%0.42243%0.434SS..  trans-57.9145.6162.127.5-34.1000109T70 I91T70-P89 PolarHBondContact OG1-O 3.34Å; P89-I91 HydrophobicContact CB-CG1 4.4Å; P89-I91 HydrophobicContact CG-CD1 3.85Å; P89-I91 HydrophobicContact CG-CG1 4.19Å; P89-I91 PolarHBondContact O-N 3.29Å; P89-I91 VanDerWaalsContact O-N 3.09Å
90N90.2Very high86.4Confident135 Ų13584.2 Ų84.272%0.72243%0.433SS*.  trans-76100.1176.5-175.24000109.6Q92N90-Q92 PolarHBondContact OD1-NE2 3.14Å
91I93.5Very high85.7Confident57 Ų5792.5 Ų92.529%0.29246%0.463SS..  trans-107.3127.9-179.7-66.6172.6000107.9I65 G69 T70 P89I65-I91 HydrophobicContact CG2-CB 3.81Å; I65-I91 HydrophobicContact CG2-CD1 3.8Å; I65-I91 HydrophobicContact CG2-CG1 4.31Å; I65-I91 HydrophobicContact CG2-CG2 4.12Å; G69-I91 CarbonylContact C-O 3.57Å; G69-I91 WeakPolarHBondContact CA-O 3.45Å; T70-I91 PolarHBondContact N-O 3.01Å; T70-I91 PolarHBondContact OG1-N 2.94Å; P89-I91 HydrophobicContact CB-CG1 4.4Å; P89-I91 HydrophobicContact CG-CD1 3.85Å; P89-I91 HydrophobicContact CG-CG1 4.19Å; P89-I91 PolarHBondContact O-N 3.29Å; P89-I91 VanDerWaalsContact O-N 3.09Å
92Q93.4Very high84.9Confident155 Ų15595.3 Ų95.372%0.72447%0.474SS*.PPolyproline II helixtrans-78.9132170.7-63.2-61.7-61.400109.4N90N90-Q92 PolarHBondContact OD1-NE2 3.14Å
93G94Very high84.3Confident38 Ų3894.8 Ų94.839%0.39247%0.466SS..PPolyproline II helixtrans-65.6163.2177.800000113.2V67 G69V67-G93 CarbonylContact O-C 3.55Å; V67-G93 WeakPolarHBondContact O-CA 3.48Å; G69-G93 VanDerWaalsContact N-CA 3.32Å
94C92.6Very high83.4Confident44 Ų4493.9 Ų93.930%0.29747%0.47SS..PPolyproline II helixtrans-103.3137.7174.474.90000111.1V67V67-C94 PolarHBondContact O-N 2.96Å
95S92.2Very high83.4Confident46 Ų4695.2 Ų95.232%0.32247%0.474SS..PPolyproline II helixtrans-70.5148.8179.485.40000111.9E97 K98 L99S95-E97 WeakPolarHBondContact CB-OE2 3.25Å; S95-E97 PolarHBondContact O-N 3.25Å; S95-E97 PolarHBondContact OG-OE2 2.93Å; S95-K98 WeakPolarHBondContact O-CB 3.42Å; S95-K98 PolarHBondContact O-N 3.12Å; S95-L99 PolarHBondContact O-N 3.01Å; S95-L99 VanDerWaalsContact O-N 3.16Å
96W92.9Very high84.1Confident32 Ų3289.5 Ų89.512%0.12145%0.449CS..Hα-helixtrans-58.6-34.1-175.4-60.2115.6000112.8L51 V67 L68 K98 L99 I100 F110 L113 L117L51-W96 HydrophobicContact CD1-CZ3 4.45Å; L51-W96 HydrophobicContact CD2-CZ3 4.26Å; V67-W96 HydrophobicContact CG1-CE3 4.24Å; V67-W96 HydrophobicContact CG1-CH2 3.65Å; V67-W96 HydrophobicContact CG1-CZ2 4.48Å; V67-W96 HydrophobicContact CG1-CZ3 3.52Å; L68-W96 HydrophobicContact CD2-CH2 3.99Å; L68-W96 HydrophobicContact CD2-CZ2 3.88Å; W96-K98 VanDerWaalsContact C-N 3.34Å; W96-K98 PolarHBondContact O-N 3.11Å; W96-L99 HydrophobicContact CE3-CD2 4.17Å; W96-L99 HydrophobicContact CZ3-CD2 4.18Å; W96-L99 PolarHBondContact O-N 3.1Å; W96-I100 WeakPolarHBondContact O-CB 3.37Å; W96-I100 PolarHBondContact O-N 3.27Å; W96-F110 HydrophobicContact CB-CB 3.83Å; W96-F110 HydrophobicContact CB-CD1 3.65Å; W96-F110 HydrophobicContact CB-CD2 3.98Å; W96-F110 HydrophobicContact CB-CE1 4.2Å; W96-F110 HydrophobicContact CB-CG 3.54Å; W96-F110 HydrophobicContact CG-CB 4.14Å; W96-F110 HydrophobicContact CG-CD1 4.44Å; W96-F110 HydrophobicContact CG-CG 4.33Å; W96-L113 HydrophobicContact CD2-CB 4.21Å; W96-L113 HydrophobicContact CD2-CD1 4.13Å; W96-L113 HydrophobicContact CE3-CB 4.48Å; W96-L113 HydrophobicContact CE3-CD1 3.83Å; W96-L113 HydrophobicContact CH2-CB 4.36Å; W96-L113 HydrophobicContact CZ2-CB 4.04Å; W96-L113 HydrophobicContact CZ3-CD1 4.16Å; W96-L117 HydrophobicContact CH2-CB 4.3Å; W96-L117 HydrophobicContact CH2-CD1 3.6Å; W96-L117 HydrophobicContact CZ2-CB 4.42Å; W96-L117 HydrophobicContact CZ2-CD1 4.33Å; W96-L117 HydrophobicContact CZ3-CD1 4.26Å
97E90.9Very high85.2Confident81 Ų8190.4 Ų90.438%0.37946%0.461SS..Hα-helixtrans-65.2-35.7177-48.271.2-15900112S95 F110S95-E97 WeakPolarHBondContact CB-OE2 3.25Å; S95-E97 PolarHBondContact O-N 3.25Å; S95-E97 PolarHBondContact OG-OE2 2.93Å; E97-F110 HydrophobicContact CB-CE2 4.26Å; E97-F110 HydrophobicContact CG-CD2 3.99Å; E97-F110 HydrophobicContact CG-CE2 3.83Å
98K90.7Very high86.1Confident149 Ų14981.7 Ų81.765%0.64843%0.427SS*.Hα-helixtrans-76.5-31.9178.8-70.6175.8179.9174.70112.1S95 W96 R101S95-K98 WeakPolarHBondContact O-CB 3.42Å; S95-K98 PolarHBondContact O-N 3.12Å; W96-K98 VanDerWaalsContact C-N 3.34Å; W96-K98 PolarHBondContact O-N 3.11Å; K98-R101 VanDerWaalsContact O-CG 3.25Å; K98-R101 WeakPolarHBondContact O-CG 3.25Å; K98-R101 PolarHBondContact O-NE 2.85Å
99L91.5Very high86.7Confident41 Ų4180 Ų8022%0.21542%0.42CS..Hα-helixtrans-76.6-46.2177.6-173.363.5000111.4L51 V67 S95 W96 R101L51-L99 HydrophobicContact CD1-CD2 3.79Å; V67-L99 HydrophobicContact CG1-CD2 3.91Å; V67-L99 HydrophobicContact CG2-CD2 3.91Å; S95-L99 PolarHBondContact O-N 3.01Å; S95-L99 VanDerWaalsContact O-N 3.16Å; W96-L99 HydrophobicContact CE3-CD2 4.17Å; W96-L99 HydrophobicContact CZ3-CD2 4.18Å; W96-L99 PolarHBondContact O-N 3.1Å; L99-R101 PolarHBondContact O-N 3.24Å
100I89.2Confident87.2Confident4 Ų477.3 Ų77.32%0.02140%0.401CS..SBendtrans-107.358.4-172.4-46178.2000110.3L46 L47 W96 N102 R103 F110 L113L46-I100 HydrophobicContact CB-CD1 4.05Å; L46-I100 HydrophobicContact CB-CG2 4.1Å; L46-I100 WeakPolarHBondContact O-CG2 3.41Å; L47-I100 HydrophobicContact CD1-CG1 4.43Å; W96-I100 WeakPolarHBondContact O-CB 3.37Å; W96-I100 PolarHBondContact O-N 3.27Å; I100-N102 PolarHBondContact O-N 3.16Å; I100-R103 HydrophobicContact CG2-CB 3.92Å; I100-R103 HydrophobicContact CG2-CG 4.28Å; I100-R103 PolarHBondContact O-N 3.35Å; I100-F110 HydrophobicContact CB-CE1 4.02Å; I100-F110 HydrophobicContact CB-CZ 4.17Å; I100-F110 HydrophobicContact CD1-CD1 4.39Å; I100-F110 HydrophobicContact CD1-CE1 3.85Å; I100-F110 HydrophobicContact CG1-CE1 4.38Å; I100-F110 HydrophobicContact CG2-CE1 4.41Å; I100-L113 HydrophobicContact CD1-CD1 3.94Å
101R80.3Confident87.4Confident196 Ų19676.4 Ų76.474%0.7439%0.388SS*.G310 helixtrans-56.3-26.6-169.4-58.2-177-176-177.30.7115.9K98 L99 R103 S104K98-R101 VanDerWaalsContact O-CG 3.25Å; K98-R101 WeakPolarHBondContact O-CG 3.25Å; K98-R101 PolarHBondContact O-NE 2.85Å; L99-R101 PolarHBondContact O-N 3.24Å; R101-R103 VanDerWaalsContact C-N 3.31Å; R101-S104 PolarHBondContact O-OG 3.21Å
102N74.8Confident87.5Confident141 Ų14173.7 Ų73.775%0.75438%0.375SS*.G310 helixtrans-88.41.3-176.7-64.4-9.7000113I100I100-N102 PolarHBondContact O-N 3.16Å
103R75Confident87.7Confident145 Ų14566.3 Ų66.355%0.54734%0.34SS..G310 helixtrans-139.224.9-176.9-59.5-66.7177.6-116.610.8112.4I100 R101 T105 N106 F110I100-R103 HydrophobicContact CG2-CB 3.92Å; I100-R103 HydrophobicContact CG2-CG 4.28Å; I100-R103 PolarHBondContact O-N 3.35Å; R101-R103 VanDerWaalsContact C-N 3.31Å; R103-T105 PolarHBondContact O-N 3.01Å; R103-N106 WeakPolarHBondContact O-CB 3.34Å; R103-N106 PolarHBondContact O-N 3.45Å; R103-F110 WeakPolarHBondContact O-CZ 3.39Å
104S65Low87.8Confident55 Ų5566.1 Ų66.139%0.38534%0.338SS..THydrogen-bonded Turntrans-57.2-17.6-173.7-44.90000115.5R101 N106R101-S104 PolarHBondContact O-OG 3.21Å; S104-N106 VanDerWaalsContact C-N 3.32Å
105T72.7Confident88.1Confident133 Ų13367.8 Ų67.882%0.81634%0.34SS*.THydrogen-bonded Turntrans-78.2-11174.249.90000113.9R103 T107R103-T105 PolarHBondContact O-N 3.01Å; T105-T107 PolarHBondContact O-N 2.98Å
106N82.5Confident88.3Confident43 Ų4365.6 Ų65.623%0.2333%0.325CS..  trans-86.658.2-175.3-159.7-11.3000112.6R103 S104 A108 A109 F110R103-N106 WeakPolarHBondContact O-CB 3.34Å; R103-N106 PolarHBondContact O-N 3.45Å; S104-N106 VanDerWaalsContact C-N 3.32Å; N106-A108 PolarHBondContact O-N 3.44Å; N106-A109 HydrophobicContact CB-CB 4.2Å; N106-A109 WeakPolarHBondContact ND2-CB 3.36Å; N106-A109 PolarHBondContact O-N 3.48Å; N106-A109 VanDerWaalsContact O-N 3.11Å; N106-A109 WeakPolarHBondContact OD1-CB 3.3Å; N106-A109 PolarHBondContact OD1-N 3.15Å; N106-A109 VanDerWaalsContact OD1-N 3.12Å; N106-F110 WeakPolarHBondContact O-CG 3.49Å; N106-F110 PolarHBondContact O-N 2.78Å; N106-F110 VanDerWaalsContact O-N 3.1Å
107T89.9Confident88.6Confident100 Ų10064.3 Ų64.361%0.61332%0.32SS*.Hα-helixtrans-57.6-34.5179.454.50000112.5T105 F110 Y111T105-T107 PolarHBondContact O-N 2.98Å; T107-F110 PolarHBondContact O-N 3.35Å; T107-Y111 PolarHBondContact O-N 2.95Å
108A91.9Very high88.9Confident21 Ų2162 Ų6217%0.17431%0.311CS..Hα-helixtrans-62.2-43.7175.200000112.3N106 Y111 V112 F135N106-A108 PolarHBondContact O-N 3.44Å; A108-Y111 PolarHBondContact O-N 3.26Å; A108-V112 PolarHBondContact O-N 3.4Å; A108-V112 VanDerWaalsContact O-N 3.15Å; A108-F135 HydrophobicContact CB-CB 3.92Å; A108-F135 HydrophobicContact CB-CD2 4.42Å
109A93Very high89.3Confident0 Ų055.3 Ų55.30%028%0.282CS..Hα-helixtrans-67.2-39.9174.400000112.4L46 N106 Y111 V112 L113 F135L46-A109 HydrophobicContact CD1-CB 3.76Å; L46-A109 HydrophobicContact CD2-CB 4.23Å; N106-A109 HydrophobicContact CB-CB 4.2Å; N106-A109 WeakPolarHBondContact ND2-CB 3.36Å; N106-A109 PolarHBondContact O-N 3.48Å; N106-A109 VanDerWaalsContact O-N 3.11Å; N106-A109 WeakPolarHBondContact OD1-CB 3.3Å; N106-A109 PolarHBondContact OD1-N 3.15Å; N106-A109 VanDerWaalsContact OD1-N 3.12Å; A109-Y111 VanDerWaalsContact C-N 3.3Å; A109-Y111 PolarHBondContact O-N 2.96Å; A109-V112 PolarHBondContact O-N 2.97Å; A109-V112 VanDerWaalsContact O-N 3.14Å; A109-L113 WeakPolarHBondContact O-CG 3.49Å; A109-L113 PolarHBondContact O-N 3.42Å; A109-F135 HydrophobicContact CB-CD2 3.77Å; A109-F135 HydrophobicContact CB-CE2 3.63Å; A109-F135 HydrophobicContact CB-CG 4.39Å; A109-F135 HydrophobicContact CB-CZ 4.1Å
110F94.5Very high89.5Confident7 Ų753.9 Ų53.93%0.03128%0.276CS..Hα-helixtrans-65.8-33.7178.2-58.3-19.8000112.1W96 E97 I100 R103 N106 T107 L113 G114W96-F110 HydrophobicContact CB-CB 3.83Å; W96-F110 HydrophobicContact CB-CD1 3.65Å; W96-F110 HydrophobicContact CB-CD2 3.98Å; W96-F110 HydrophobicContact CB-CE1 4.2Å; W96-F110 HydrophobicContact CB-CG 3.54Å; W96-F110 HydrophobicContact CG-CB 4.14Å; W96-F110 HydrophobicContact CG-CD1 4.44Å; W96-F110 HydrophobicContact CG-CG 4.33Å; E97-F110 HydrophobicContact CB-CE2 4.26Å; E97-F110 HydrophobicContact CG-CD2 3.99Å; E97-F110 HydrophobicContact CG-CE2 3.83Å; I100-F110 HydrophobicContact CB-CE1 4.02Å; I100-F110 HydrophobicContact CB-CZ 4.17Å; I100-F110 HydrophobicContact CD1-CD1 4.39Å; I100-F110 HydrophobicContact CD1-CE1 3.85Å; I100-F110 HydrophobicContact CG1-CE1 4.38Å; I100-F110 HydrophobicContact CG2-CE1 4.41Å; R103-F110 WeakPolarHBondContact O-CZ 3.39Å; N106-F110 WeakPolarHBondContact O-CG 3.49Å; N106-F110 PolarHBondContact O-N 2.78Å; N106-F110 VanDerWaalsContact O-N 3.1Å; T107-F110 PolarHBondContact O-N 3.35Å; F110-L113 HydrophobicContact CD1-CD1 4.4Å; F110-G114 PolarHBondContact O-N 2.9Å
111Y95.2Very high89.9Confident117 Ų11754.3 Ų54.346%0.45928%0.279SS..Hα-helixtrans-59.9-50.4168-179.3-86.5000111.2T107 A108 A109 L113 G114 K115 M125T107-Y111 PolarHBondContact O-N 2.95Å; A108-Y111 PolarHBondContact O-N 3.26Å; A109-Y111 VanDerWaalsContact C-N 3.3Å; A109-Y111 PolarHBondContact O-N 2.96Å; Y111-L113 PolarHBondContact O-N 3.42Å; Y111-G114 CarbonylContact O-C 3.45Å; Y111-G114 PolarHBondContact O-N 2.86Å; Y111-K115 HydrophobicContact CD1-CG 4.12Å; Y111-K115 HydrophobicContact CE1-CG 3.73Å; Y111-K115 WeakPolarHBondContact O-CG 3.43Å; Y111-K115 PolarHBondContact O-N 3.2Å; Y111-K115 VanDerWaalsContact O-N 3.07Å; Y111-K115 WeakPolarHBondContact OH-CE 3.28Å; Y111-M125 HydrophobicContact CE1-CE 4.34Å
112V96.3Very high90.6Very high0 Ų052.9 Ų52.90%028%0.278CS..Hα-helixtrans-58.9-46177.9166.80000111.6I42 A108 A109 G114 K115 L116 I130 C133 F135 F136I42-V112 HydrophobicContact CD1-CG1 4.01Å; A108-V112 PolarHBondContact O-N 3.4Å; A108-V112 VanDerWaalsContact O-N 3.15Å; A109-V112 PolarHBondContact O-N 2.97Å; A109-V112 VanDerWaalsContact O-N 3.14Å; V112-G114 PolarHBondContact O-N 3.11Å; V112-K115 PolarHBondContact O-N 2.67Å; V112-K115 VanDerWaalsContact O-N 3.08Å; V112-L116 HydrophobicContact CG1-CD1 3.72Å; V112-L116 HydrophobicContact CG1-CG 4.4Å; V112-L116 WeakPolarHBondContact O-CG 3.43Å; V112-L116 PolarHBondContact O-N 3.31Å; V112-I130 HydrophobicContact CG1-CD1 4.29Å; V112-I130 HydrophobicContact CG1-CG2 4.31Å; V112-C133 HydrophobicContact CG2-CB 3.82Å; V112-F135 HydrophobicContact CB-CD1 4.44Å; V112-F135 HydrophobicContact CG1-CD1 4.48Å; V112-F135 HydrophobicContact CG2-CB 3.82Å; V112-F135 HydrophobicContact CG2-CD1 4.1Å; V112-F135 HydrophobicContact CG2-CG 4.29Å; V112-F136 HydrophobicContact CG1-CE2 4.47Å; V112-F136 HydrophobicContact CG2-CE2 4.26Å
113L96.8Very high91.6Very high0 Ų050.3 Ų50.30%027%0.267CS..Hα-helixtrans-57.4-47.8174.3-69.5-179000111.7G39 I42 L46 W96 I100 A109 F110 Y111 K115 L116 L117G39-L113 VanDerWaalsContact O-CD2 3.31Å; G39-L113 WeakPolarHBondContact O-CD2 3.39Å; I42-L113 HydrophobicContact CB-CD2 4.08Å; I42-L113 HydrophobicContact CG2-CD2 3.84Å; I42-L113 HydrophobicContact CG2-CG 4.46Å; L46-L113 HydrophobicContact CD1-CD1 4Å; L46-L113 HydrophobicContact CD1-CG 4.46Å; W96-L113 HydrophobicContact CD2-CB 4.21Å; W96-L113 HydrophobicContact CD2-CD1 4.13Å; W96-L113 HydrophobicContact CE3-CB 4.48Å; W96-L113 HydrophobicContact CE3-CD1 3.83Å; W96-L113 HydrophobicContact CH2-CB 4.36Å; W96-L113 HydrophobicContact CZ2-CB 4.04Å; W96-L113 HydrophobicContact CZ3-CD1 4.16Å; I100-L113 HydrophobicContact CD1-CD1 3.94Å; A109-L113 WeakPolarHBondContact O-CG 3.49Å; A109-L113 PolarHBondContact O-N 3.42Å; F110-L113 HydrophobicContact CD1-CD1 4.4Å; Y111-L113 PolarHBondContact O-N 3.42Å; L113-K115 PolarHBondContact O-N 2.94Å; L113-K115 VanDerWaalsContact O-N 3.16Å; L113-L116 PolarHBondContact O-N 3.34Å; L113-L117 HydrophobicContact CD2-CD1 4.1Å; L113-L117 WeakPolarHBondContact O-CB 3.34Å; L113-L117 PolarHBondContact O-N 2.91Å
114G96.7Very high92.7Very high33 Ų3343.6 Ų43.634%0.3424%0.242SC..Hα-helixtrans-66.4-9.617700000115.4F110 Y111 V112 V118F110-G114 PolarHBondContact O-N 2.9Å; Y111-G114 CarbonylContact O-C 3.45Å; Y111-G114 PolarHBondContact O-N 2.86Å; V112-G114 PolarHBondContact O-N 3.11Å; G114-V118 WeakPolarHBondContact O-CG2 3.33Å
115K97.4Very high94.2Very high79 Ų7942.8 Ų42.834%0.34323%0.233SC..Hα-helixtrans-102.9-18.5173.5-66.4-54.6-175.3-173.30114.1Y111 V112 L113 R124 M125 I130Y111-K115 HydrophobicContact CD1-CG 4.12Å; Y111-K115 HydrophobicContact CE1-CG 3.73Å; Y111-K115 WeakPolarHBondContact O-CG 3.43Å; Y111-K115 PolarHBondContact O-N 3.2Å; Y111-K115 VanDerWaalsContact O-N 3.07Å; Y111-K115 WeakPolarHBondContact OH-CE 3.28Å; V112-K115 PolarHBondContact O-N 2.67Å; V112-K115 VanDerWaalsContact O-N 3.08Å; L113-K115 PolarHBondContact O-N 2.94Å; L113-K115 VanDerWaalsContact O-N 3.16Å; K115-R124 WeakPolarHBondContact O-CA 3.4Å; K115-M125 HydrophobicContact CB-CB 3.87Å; K115-M125 HydrophobicContact CB-CE 4.21Å; K115-M125 HydrophobicContact CB-SD 4.25Å; K115-M125 HydrophobicContact CD-CE 3.98Å; K115-M125 HydrophobicContact CG-CE 3.77Å; K115-M125 HydrophobicContact CG-SD 4.36Å; K115-M125 PolarHBondContact O-N 3.26Å; K115-I130 HydrophobicContact CB-CD1 4.09Å
116L98Very high95.2Very high1 Ų139.4 Ų39.41%0.00521%0.212CC..Hα-helixtrans-95.8-45.1176.4-67.6174.8000112.2M35 I42 V112 L113 V118 R124 I130M35-L116 HydrophobicContact CB-CD2 4.15Å; M35-L116 HydrophobicContact CE-CD2 3.47Å; M35-L116 VanDerWaalsContact CE-CD2 3.47Å; I42-L116 HydrophobicContact CD1-CD1 3.75Å; V112-L116 HydrophobicContact CG1-CD1 3.72Å; V112-L116 HydrophobicContact CG1-CG 4.4Å; V112-L116 WeakPolarHBondContact O-CG 3.43Å; V112-L116 PolarHBondContact O-N 3.31Å; L113-L116 PolarHBondContact O-N 3.34Å; L116-V118 VanDerWaalsContact C-N 3.31Å; L116-V118 PolarHBondContact O-N 3.4Å; L116-V118 VanDerWaalsContact O-N 3.11Å; L116-R124 WeakPolarHBondContact O-CD 3.31Å; L116-R124 WeakPolarHBondContact O-CG 3.38Å; L116-I130 HydrophobicContact CD1-CD1 4.32Å; L116-I130 HydrophobicContact CD2-CD1 3.63Å; L116-I130 HydrophobicContact CD2-CG1 3.72Å; L116-I130 HydrophobicContact CG-CD1 3.72Å; L116-I130 HydrophobicContact CG-CG1 4.35Å
117L98.3Very high95.7Very high4 Ų437.8 Ų37.82%0.02121%0.205CC..SBendtrans-91.165.4-174.4-60.3177.2000110.7W36 L51 F52 L68 W96 L113W36-L117 HydrophobicContact CD2-CD2 3.86Å; W36-L117 HydrophobicContact CE3-CD2 4.03Å; W36-L117 HydrophobicContact CG-CD2 4.33Å; W36-L117 HydrophobicContact CH2-CD2 4.41Å; W36-L117 HydrophobicContact CZ2-CD2 4.24Å; W36-L117 HydrophobicContact CZ3-CB 4.31Å; W36-L117 HydrophobicContact CZ3-CD2 4.31Å; L51-L117 HydrophobicContact CD2-CD1 3.42Å; L51-L117 VanDerWaalsContact CD2-CD1 3.42Å; F52-L117 HydrophobicContact CE2-CD1 4.24Å; F52-L117 HydrophobicContact CE2-CD2 4.17Å; F52-L117 HydrophobicContact CZ-CD1 4.21Å; L68-L117 WeakPolarHBondContact CD1-O 3.17Å; L68-L117 HydrophobicContact CD2-CB 4.45Å; L68-L117 WeakPolarHBondContact CD2-O 3.25Å; W96-L117 HydrophobicContact CH2-CB 4.3Å; W96-L117 HydrophobicContact CH2-CD1 3.6Å; W96-L117 HydrophobicContact CZ2-CB 4.42Å; W96-L117 HydrophobicContact CZ2-CD1 4.33Å; W96-L117 HydrophobicContact CZ3-CD1 4.26Å; L113-L117 HydrophobicContact CD2-CD1 4.1Å; L113-L117 WeakPolarHBondContact O-CB 3.34Å; L113-L117 PolarHBondContact O-N 2.91Å
118V97.8Very high95.7Very high33 Ų3333.7 Ų33.720%0.218%0.18CC..  trans-116.6136177.7-172.70000108.9G114 L116 T123 R124G114-V118 WeakPolarHBondContact O-CG2 3.33Å; L116-V118 VanDerWaalsContact C-N 3.31Å; L116-V118 PolarHBondContact O-N 3.4Å; L116-V118 VanDerWaalsContact O-N 3.11Å; V118-T123 WeakPolarHBondContact CG1-OG1 3.42Å; V118-R124 HydrophobicContact CB-CG 4.14Å; V118-R124 PolarHBondContact O-NE 2.95Å; V118-R124 PolarHBondContact O-NH2 3.39Å
119Y97.9Very high95.7Very high8 Ų836.2 Ų36.23%0.03119%0.19CC..SBendtrans-54.7-61.6178.5-73.9-62.2000111.5P20 I64 I65 L68 G69 P71 M79 P121 R124P20-Y119 HydrophobicContact CB-CD1 4.19Å; P20-Y119 HydrophobicContact CB-CE1 4.49Å; P20-Y119 HydrophobicContact CG-CD1 4.05Å; I64-Y119 HydrophobicContact CG2-CE1 3.67Å; I65-Y119 WeakPolarHBondContact CG1-OH 3.31Å; L68-Y119 HydrophobicContact CB-CE2 3.81Å; L68-Y119 HydrophobicContact CD1-CE1 4.41Å; L68-Y119 HydrophobicContact CD1-CE2 4.28Å; G69-Y119 WeakPolarHBondContact O-CE2 3.4Å; G69-Y119 PolarHBondContact O-OH 2.92Å; P71-Y119 HydrophobicContact CB-CD1 4.14Å; P71-Y119 HydrophobicContact CB-CD2 3.73Å; P71-Y119 HydrophobicContact CB-CE1 4.14Å; P71-Y119 HydrophobicContact CB-CE2 3.73Å; P71-Y119 HydrophobicContact CB-CG 3.94Å; P71-Y119 HydrophobicContact CG-CE1 4.29Å; P71-Y119 HydrophobicContact CG-CE2 4.39Å; M79-Y119 HydrophobicContact CE-CD1 3.82Å; M79-Y119 HydrophobicContact CE-CG 4.18Å; M79-Y119 WeakPolarHBondContact CG-O 3.15Å; M79-Y119 HydrophobicContact SD-CD1 3.8Å; M79-Y119 HydrophobicContact SD-CG 4.31Å; Y119-P121 WeakPolarHBondContact O-CD 3.22Å; Y119-P121 VanDerWaalsContact O-N 3.12Å; Y119-R124 PolarHBondContact O-NH2 3Å
120S97Very high95.7Very high11 Ų1136.5 Ų36.58%0.07719%0.192CC..SBendtrans-48.9106.3173-71.70000113.2E78 K122 T123E78-S120 WeakPolarHBondContact OE2-CB 3.44Å; E78-S120 PolarHBondContact OE2-OG 3.43Å; S120-K122 PolarHBondContact O-N 2.89Å; S120-T123 WeakPolarHBondContact CB-OG1 3.5Å; S120-T123 PolarHBondContact O-N 3.49Å; S120-T123 PolarHBondContact O-OG1 2.98Å
121P96.6Very high95.5Very high13 Ų1337 Ų378%0.08419%0.194CC..G310 helixtrans-64.5-31.6-177-21.333.8000112.3E21 Q32 M79 Y119 T123E21-P121 HydrophobicContact CB-CG 4.49Å; E21-P121 HydrophobicContact CG-CG 4.34Å; E21-P121 WeakPolarHBondContact OE1-CG 3.44Å; Q32-P121 HydrophobicContact CB-CB 4.21Å; Q32-P121 WeakPolarHBondContact CG-O 3.03Å; Q32-P121 PolarHBondContact NE2-O 3.04Å; M79-P121 HydrophobicContact CG-CG 4.34Å; Y119-P121 WeakPolarHBondContact O-CD 3.22Å; Y119-P121 VanDerWaalsContact O-N 3.12Å; P121-T123 VanDerWaalsContact C-N 3.28Å; P121-T123 PolarHBondContact O-N 3.3Å
122K94.8Very high95.1Very high166 Ų16633.4 Ų33.472%0.72219%0.187SC*.G310 helixtrans-66.5-23.8-180-63.1175.6-175.8170.50113.9S120S120-K122 PolarHBondContact O-N 2.89Å
123T96Very high94.8Very high87 Ų8734 Ų3453%0.53419%0.191SC..G310 helixtrans-104.3-4.4-17663.80000113.5V118 S120 P121 M125V118-T123 WeakPolarHBondContact CG1-OG1 3.42Å; S120-T123 WeakPolarHBondContact CB-OG1 3.5Å; S120-T123 PolarHBondContact O-N 3.49Å; S120-T123 PolarHBondContact O-OG1 2.98Å; P121-T123 VanDerWaalsContact C-N 3.28Å; P121-T123 PolarHBondContact O-N 3.3Å; T123-M125 PolarHBondContact O-N 3.37Å
124R97.6Very high94.4Very high5 Ų537.6 Ų37.62%0.01922%0.215CC..SBendtrans-60.8130.4169.5-62.5-179.5-164.5142.812.4109.7E21 Q32 K115 L116 V118 Y119E21-R124 IonicContact OE1-CZ 2.86Å; E21-R124 IonicContact OE1-NH1 2.55Å; E21-R124 PolarHBondContact OE1-NH1 3.45Å; E21-R124 IonicContact OE1-NH2 3.24Å; E21-R124 PolarHBondContact OE1-NH2 2.92Å; E21-R124 IonicContact OE2-CZ 3.62Å; E21-R124 IonicContact OE2-NH1 3.47Å; E21-R124 PolarHBondContact OE2-NH1 3.46Å; E21-R124 IonicContact OE2-NH2 2.72Å; E21-R124 PolarHBondContact OE2-NH2 3.32Å; Q32-R124 PolarHBondContact NE2-O 3.34Å; Q32-R124 PolarHBondContact O-NH1 3.21Å; K115-R124 WeakPolarHBondContact O-CA 3.4Å; L116-R124 WeakPolarHBondContact O-CD 3.31Å; L116-R124 WeakPolarHBondContact O-CG 3.38Å; V118-R124 HydrophobicContact CB-CG 4.14Å; V118-R124 PolarHBondContact O-NE 2.95Å; V118-R124 PolarHBondContact O-NH2 3.39Å; Y119-R124 PolarHBondContact O-NH2 3Å
125M96.4Very high94Very high38 Ų3839 Ų3919%0.18721%0.212CC..PPolyproline II helixtrans-69136.4-177.8-175.3-178.6-76.700110.7Y111 K115 T123 N129 I130Y111-M125 HydrophobicContact CE1-CE 4.34Å; K115-M125 HydrophobicContact CB-CB 3.87Å; K115-M125 HydrophobicContact CB-CE 4.21Å; K115-M125 HydrophobicContact CB-SD 4.25Å; K115-M125 HydrophobicContact CD-CE 3.98Å; K115-M125 HydrophobicContact CG-CE 3.77Å; K115-M125 HydrophobicContact CG-SD 4.36Å; K115-M125 PolarHBondContact O-N 3.26Å; T123-M125 PolarHBondContact O-N 3.37Å; M125-N129 HydrophobicContact CG-CB 3.41Å; M125-N129 VanDerWaalsContact CG-CB 3.41Å; M125-N129 HydrophobicContact SD-CB 3.77Å; M125-I130 HydrophobicContact CB-CD1 3.9Å; M125-I130 HydrophobicContact CB-CG1 4Å; M125-I130 HydrophobicContact CG-CD1 3.99Å; M125-I130 HydrophobicContact CG-CG1 3.85Å; M125-I130 HydrophobicContact SD-CD1 3.7Å; M125-I130 HydrophobicContact SD-CG1 4Å
126T94.3Very high93.5Very high62 Ų6236.3 Ų36.338%0.3820%0.2SC..PPolyproline II helixtrans-68.5155.9-178.858.50000112.4C128 N129 I130T126-C128 VanDerWaalsContact C-N 3.3Å; T126-C128 PolarHBondContact O-N 2.94Å; T126-N129 PolarHBondContact O-N 3.46Å; T126-N129 VanDerWaalsContact O-N 3.07Å; T126-N129 PolarHBondContact OG1-ND2 3.36Å; T126-I130 WeakPolarHBondContact O-CG1 3.37Å; T126-I130 PolarHBondContact O-N 3.43Å
127A92.6Very high92.7Very high9 Ų939.1 Ų39.17%0.07422%0.215CC..Hα-helixtrans-45.5-49.2175.800000113.5M35 N129 I130 L131 L332M35-A127 HydrophobicContact CE-CB 4.22Å; M35-A127 HydrophobicContact SD-CB 4.1Å; A127-N129 VanDerWaalsContact C-N 3.35Å; A127-N129 PolarHBondContact O-N 2.85Å; A127-I130 PolarHBondContact O-N 2.93Å; A127-L131 WeakPolarHBondContact O-CG 3.39Å; A127-L131 PolarHBondContact O-N 3.33Å; A127-L332 HydrophobicContact CB-CB 4.26Å; A127-L332 HydrophobicContact CB-CD2 3.86Å; A127-L332 HydrophobicContact CB-CG 3.93Å
128C90.3Very high91.6Very high13 Ų1344.3 Ų44.39%0.08824%0.243CC..Hα-helixtrans-60.3-40-179.4-54.50000113.7T126 S132 Y174 L175T126-C128 VanDerWaalsContact C-N 3.3Å; T126-C128 PolarHBondContact O-N 2.94Å; C128-S132 PolarHBondContact O-N 2.6Å; C128-S132 PolarHBondContact O-OG 3.21Å; C128-S132 VanDerWaalsContact O-OG 3.05Å; C128-Y174 VanDerWaalsContact CB-O 3.25Å; C128-Y174 WeakPolarHBondContact CB-O 3.35Å; C128-Y174 PolarHBondContact SG-O 2.97Å; C128-L175 HydrophobicContact CB-CD2 3.89Å
129N92.3Very high90.5Very high75 Ų7545.5 Ų45.540%0.40125%0.248SC..Hα-helixtrans-75.8-36.1178.7-72.5-14.4000111.2M125 T126 A127 S132 C133 P176M125-N129 HydrophobicContact CG-CB 3.41Å; M125-N129 VanDerWaalsContact CG-CB 3.41Å; M125-N129 HydrophobicContact SD-CB 3.77Å; T126-N129 PolarHBondContact O-N 3.46Å; T126-N129 VanDerWaalsContact O-N 3.07Å; T126-N129 PolarHBondContact OG1-ND2 3.36Å; A127-N129 VanDerWaalsContact C-N 3.35Å; A127-N129 PolarHBondContact O-N 2.85Å; N129-S132 WeakPolarHBondContact O-CB 3.34Å; N129-S132 PolarHBondContact O-N 2.66Å; N129-S132 VanDerWaalsContact O-N 3.16Å; N129-C133 PolarHBondContact O-N 3.14Å; N129-C133 PolarHBondContact O-SG 3.15Å; N129-C133 VanDerWaalsContact O-SG 3.33Å; N129-P176 WeakPolarHBondContact OD1-CG 3.32Å
130I93.8Very high89.4Confident5 Ų545.8 Ų45.83%0.02625%0.25CC..Hα-helixtrans-62.3-44.8173.7-70.5-73.8000110.8M35 V112 K115 L116 M125 T126 A127 S132 C133 F136M35-I130 HydrophobicContact CE-CG1 4.26Å; V112-I130 HydrophobicContact CG1-CD1 4.29Å; V112-I130 HydrophobicContact CG1-CG2 4.31Å; K115-I130 HydrophobicContact CB-CD1 4.09Å; L116-I130 HydrophobicContact CD1-CD1 4.32Å; L116-I130 HydrophobicContact CD2-CD1 3.63Å; L116-I130 HydrophobicContact CD2-CG1 3.72Å; L116-I130 HydrophobicContact CG-CD1 3.72Å; L116-I130 HydrophobicContact CG-CG1 4.35Å; M125-I130 HydrophobicContact CB-CD1 3.9Å; M125-I130 HydrophobicContact CB-CG1 4Å; M125-I130 HydrophobicContact CG-CD1 3.99Å; M125-I130 HydrophobicContact CG-CG1 3.85Å; M125-I130 HydrophobicContact SD-CD1 3.7Å; M125-I130 HydrophobicContact SD-CG1 4Å; T126-I130 WeakPolarHBondContact O-CG1 3.37Å; T126-I130 PolarHBondContact O-N 3.43Å; A127-I130 PolarHBondContact O-N 2.93Å; I130-S132 PolarHBondContact O-N 3.47Å; I130-C133 WeakPolarHBondContact O-CB 3.39Å; I130-C133 PolarHBondContact O-N 2.95Å; I130-F136 HydrophobicContact CG2-CE2 3.63Å; I130-F136 HydrophobicContact CG2-CZ 4.16Å; I130-F136 WeakPolarHBondContact O-CD2 3.34Å; I130-F136 WeakPolarHBondContact O-CE2 3.43Å
131L89.5Confident88.1Confident17 Ų1746.8 Ų46.89%0.08925%0.254CS..Hα-helixtrans-63.1-20.9175-70.8172000113.6A127 I140 L175 M179 L329A127-L131 WeakPolarHBondContact O-CG 3.39Å; A127-L131 PolarHBondContact O-N 3.33Å; L131-I140 HydrophobicContact CB-CD1 4.45Å; L131-I140 HydrophobicContact CD2-CD1 4.43Å; L131-I140 VanDerWaalsContact O-CD1 3.3Å; L131-I140 WeakPolarHBondContact O-CD1 2.95Å; L131-L175 HydrophobicContact CD1-CD2 4.41Å; L131-M179 HydrophobicContact CB-CE 4.06Å; L131-L329 HydrophobicContact CD2-CD2 4.08Å
132S87.6Confident86.6Confident43 Ų4347.6 Ų47.630%0.30126%0.259SS..THydrogen-bonded Turntrans-87.3-2.9174.3-56.80000113.6C128 N129 I130 P176 M179C128-S132 PolarHBondContact O-N 2.6Å; C128-S132 PolarHBondContact O-OG 3.21Å; C128-S132 VanDerWaalsContact O-OG 3.05Å; N129-S132 WeakPolarHBondContact O-CB 3.34Å; N129-S132 PolarHBondContact O-N 2.66Å; N129-S132 VanDerWaalsContact O-N 3.16Å; I130-S132 PolarHBondContact O-N 3.47Å; S132-P176 VanDerWaalsContact OG-CD 3.31Å; S132-P176 WeakPolarHBondContact OG-CD 3.42Å; S132-P176 VanDerWaalsContact OG-CG 3.3Å; S132-P176 WeakPolarHBondContact OG-CG 3.39Å; S132-M179 PolarHBondContact OG-SD 3.24Å
133C90Very high85.3Confident13 Ų1341.2 Ų41.29%0.08824%0.235CC..SBendtrans-75146.9178.1-66.90000111.2V112 N129 I130 F135 F136V112-C133 HydrophobicContact CG2-CB 3.82Å; N129-C133 PolarHBondContact O-N 3.14Å; N129-C133 PolarHBondContact O-SG 3.15Å; N129-C133 VanDerWaalsContact O-SG 3.33Å; I130-C133 WeakPolarHBondContact O-CB 3.39Å; I130-C133 PolarHBondContact O-N 2.95Å; C133-F135 PolarHBondContact O-N 3.32Å; C133-F136 PolarHBondContact O-N 2.89Å
134C87.4Confident83.7Confident74 Ų7443.2 Ų43.250%0.525%0.249SC..G310 helixtrans-55.8-22.5-176.556.80000115F136 N137C134-F136 PolarHBondContact O-N 3.04Å; C134-N137 WeakPolarHBondContact O-CB 3.43Å; C134-N137 PolarHBondContact O-N 3.25Å
135F89.3Confident82Confident63 Ų6347.3 Ų47.328%0.27629%0.293SS..G310 helixtrans-58-27.6173.6-179-122.1000114I42 A108 A109 V112 C133I42-F135 HydrophobicContact CG2-CE1 4.36Å; A108-F135 HydrophobicContact CB-CB 3.92Å; A108-F135 HydrophobicContact CB-CD2 4.42Å; A109-F135 HydrophobicContact CB-CD2 3.77Å; A109-F135 HydrophobicContact CB-CE2 3.63Å; A109-F135 HydrophobicContact CB-CG 4.39Å; A109-F135 HydrophobicContact CB-CZ 4.1Å; V112-F135 HydrophobicContact CB-CD1 4.44Å; V112-F135 HydrophobicContact CG1-CD1 4.48Å; V112-F135 HydrophobicContact CG2-CB 3.82Å; V112-F135 HydrophobicContact CG2-CD1 4.1Å; V112-F135 HydrophobicContact CG2-CG 4.29Å; C133-F135 PolarHBondContact O-N 3.32Å
136F86.9Confident80.4Confident22 Ų2250.7 Ų50.710%0.09631%0.308CS..G310 helixtrans-104.40.3179.1-57.6-79.2000113.7V112 I130 C133 C134 D138 L139 I140V112-F136 HydrophobicContact CG1-CE2 4.47Å; V112-F136 HydrophobicContact CG2-CE2 4.26Å; I130-F136 HydrophobicContact CG2-CE2 3.63Å; I130-F136 HydrophobicContact CG2-CZ 4.16Å; I130-F136 WeakPolarHBondContact O-CD2 3.34Å; I130-F136 WeakPolarHBondContact O-CE2 3.43Å; C133-F136 PolarHBondContact O-N 2.89Å; C134-F136 PolarHBondContact O-N 3.04Å; F136-D138 VanDerWaalsContact C-N 3.35Å; F136-D138 PolarHBondContact O-N 3.37Å; F136-L139 PolarHBondContact O-N 2.64Å; F136-L139 VanDerWaalsContact O-N 3.16Å; F136-I140 HydrophobicContact CB-CD1 3.8Å; F136-I140 HydrophobicContact CB-CG1 4.44Å; F136-I140 WeakPolarHBondContact O-CG1 3.41Å; F136-I140 PolarHBondContact O-N 3.21Å
137N81.1Confident78.9Confident61 Ų6151.5 Ų51.533%0.32632%0.317SS..Hα-helixtrans-54.5-48.7-174.4-83.7-0.6000112.2C134 L139 I140 L141C134-N137 WeakPolarHBondContact O-CB 3.43Å; C134-N137 PolarHBondContact O-N 3.25Å; N137-L139 PolarHBondContact O-N 3.13Å; N137-I140 PolarHBondContact O-N 3.24Å; N137-I140 VanDerWaalsContact O-N 3.13Å; N137-L141 PolarHBondContact O-N 3.49Å; N137-L141 VanDerWaalsContact O-O 3.12Å
138D74.1Confident77.5Confident113 Ų11352.5 Ų52.560%0.60432%0.32SS*.Hα-helixtrans-68.3-18-173.8-56.3-19.6000113.7F136 T151F136-D138 VanDerWaalsContact C-N 3.35Å; F136-D138 PolarHBondContact O-N 3.37Å; D138-T151 CarbonylContact O-C 3.58Å
139L75.6Confident76.2Confident58 Ų5855 Ų5530%0.30433%0.332SS..Hα-helixtrans-88.8-30175.4-64.7174.7000112.3F136 N137 T151 F163 F325F136-L139 PolarHBondContact O-N 2.64Å; F136-L139 VanDerWaalsContact O-N 3.16Å; N137-L139 PolarHBondContact O-N 3.13Å; L139-T151 WeakPolarHBondContact O-CB 3.31Å; L139-T151 WeakPolarHBondContact O-CG2 3.3Å; L139-F163 HydrophobicContact CB-CE2 4.39Å; L139-F163 WeakPolarHBondContact O-CD2 3.45Å; L139-F325 HydrophobicContact CD1-CE2 4.46Å; L139-F325 HydrophobicContact CD1-CZ 3.92Å
140I74.7Confident74.7Confident14 Ų1452.1 Ų52.17%0.07232%0.32CS..Hα-helixtrans-101.5-34.1-170.6-62.7176.5000111.3L131 F136 N137 L164 M179 L183L131-I140 HydrophobicContact CB-CD1 4.45Å; L131-I140 HydrophobicContact CD2-CD1 4.43Å; L131-I140 VanDerWaalsContact O-CD1 3.3Å; L131-I140 WeakPolarHBondContact O-CD1 2.95Å; F136-I140 HydrophobicContact CB-CD1 3.8Å; F136-I140 HydrophobicContact CB-CG1 4.44Å; F136-I140 WeakPolarHBondContact O-CG1 3.41Å; F136-I140 PolarHBondContact O-N 3.21Å; N137-I140 PolarHBondContact O-N 3.24Å; N137-I140 VanDerWaalsContact O-N 3.13Å; I140-L164 WeakPolarHBondContact O-CD2 3.41Å; I140-M179 HydrophobicContact CD1-CE 3.64Å; I140-M179 HydrophobicContact CG2-CE 3.76Å; I140-L183 HydrophobicContact CG2-CD2 3.94Å
141L70.1Confident73.2Confident32 Ų3251.9 Ų51.917%0.16832%0.318CS..SBendtrans-114.4135.1177-57.1178.1000108.3N137 R182 L186N137-L141 PolarHBondContact O-N 3.49Å; N137-L141 VanDerWaalsContact O-O 3.12Å; L141-R182 HydrophobicContact CD2-CB 4.11Å; L141-L186 HydrophobicContact CD2-CD1 3.75Å
142P65.2Low72Confident29 Ų2952.1 Ų52.119%0.18833%0.325CS..PPolyproline II helixtrans-61.8139.7175.227.9-35.4000109.9S147 L186P142-S147 WeakPolarHBondContact CB-O 3.4Å; P142-L186 HydrophobicContact CG-CD2 4.3Å
143P65.8Low71.2Confident32 Ų3257.6 Ų57.621%0.20834%0.34CS..PPolyproline II helixtrans-57.7149.7174.5-24.534.3000111.4G145 H146 A150P143-G145 PolarHBondContact O-N 2.99Å; P143-H146 WeakPolarHBondContact O-CB 3.3Å; P143-H146 PolarHBondContact O-N 2.86Å; P143-H146 PolarHBondContact O-ND1 2.96Å; P143-A150 WeakPolarHBondContact CD-O 3.48Å
144P63.9Low70.7Confident130 Ų13059.5 Ų59.584%0.84435%0.349SS*.THydrogen-bonded Turntrans-49.7135179.7-28.935.8000112.8H146P144-H146 VanDerWaalsContact C-N 3.27Å; P144-H146 PolarHBondContact O-N 3.47Å; P144-H146 PolarHBondContact O-ND1 3.41Å
145G61.9Low70.3Confident91 Ų9163 Ų6394%0.93837%0.37SS*.THydrogen-bonded Turntrans76.6-0.7-178.800000116.1P143P143-G145 PolarHBondContact O-N 2.99Å
146H61.8Low70Confident109 Ų10963.9 Ų63.951%0.50538%0.384SS..SBendtrans-95.3159.4178.5-64.861.9000112.3P143 P144 A150P143-H146 WeakPolarHBondContact O-CB 3.3Å; P143-H146 PolarHBondContact O-N 2.86Å; P143-H146 PolarHBondContact O-ND1 2.96Å; P144-H146 VanDerWaalsContact C-N 3.27Å; P144-H146 PolarHBondContact O-N 3.47Å; P144-H146 PolarHBondContact O-ND1 3.41Å; H146-A150 HydrophobicContact CB-CB 3.87Å
147S63.3Low69.7Low79 Ų7965.4 Ų65.455%0.55241%0.406SS*.  trans-58.5152.3173.7179.70000111.3P142 D149 A150P142-S147 WeakPolarHBondContact CB-O 3.4Å; S147-D149 PolarHBondContact O-N 3.22Å; S147-D149 VanDerWaalsContact O-N 3.09Å; S147-A150 VanDerWaalsContact O-CB 3.28Å; S147-A150 WeakPolarHBondContact O-CB 3.38Å; S147-A150 PolarHBondContact O-N 3.03Å
148I63.4Low69.5Low30 Ų3069.2 Ų69.215%0.15442%0.42CS..THydrogen-bonded Turntrans-59.3-23.2179.3-163146.6000114.5L164 L186 K190I148-L164 HydrophobicContact CG1-CD1 4.21Å; I148-L164 WeakPolarHBondContact O-CD1 3.49Å; I148-L186 HydrophobicContact CD1-CB 3.87Å; I148-L186 HydrophobicContact CD1-CD2 3.61Å; I148-L186 HydrophobicContact CD1-CG 4.34Å; I148-L186 WeakPolarHBondContact CD1-O 3.38Å; I148-L186 HydrophobicContact CG1-CB 4.26Å; I148-L186 HydrophobicContact CG1-CD2 3.92Å; I148-K190 HydrophobicContact CD1-CB 4.37Å; I148-K190 HydrophobicContact CG2-CB 4.22Å; I148-K190 HydrophobicContact CG2-CD 4.4Å; I148-K190 HydrophobicContact CG2-CG 4.38Å
149D62.2Low69.5Low64 Ų6468.1 Ų68.134%0.34242%0.419SS..THydrogen-bonded Turntrans-89-9.8176.3-78.2-49.9000113.8S147 T151 N162 K190S147-D149 PolarHBondContact O-N 3.22Å; S147-D149 VanDerWaalsContact O-N 3.09Å; D149-T151 VanDerWaalsContact C-N 3.32Å; D149-T151 PolarHBondContact O-N 3.3Å; D149-N162 PolarHBondContact OD1-ND2 3.45Å; D149-K190 IonicContact OD1-NZ 2.62Å; D149-K190 PolarHBondContact OD1-NZ 2.75Å; D149-K190 WeakPolarHBondContact OD2-CE 3.37Å; D149-K190 IonicContact OD2-NZ 2.99Å; D149-K190 PolarHBondContact OD2-NZ 3.4Å
150A60.6Low69.3Low16 Ų1665.8 Ų65.813%0.13241%0.408CS..  trans-83.273.9179.700000111P143 H146 S147 G152P143-A150 WeakPolarHBondContact CD-O 3.48Å; H146-A150 HydrophobicContact CB-CB 3.87Å; S147-A150 VanDerWaalsContact O-CB 3.28Å; S147-A150 WeakPolarHBondContact O-CB 3.38Å; S147-A150 PolarHBondContact O-N 3.03Å; A150-G152 PolarHBondContact O-N 3.49Å
151T63.2Low69.2Low0 Ų067.2 Ų67.20%042%0.418CS..  trans-71.333.2171.344.60000113D138 L139 D149 A160 P161 N162D138-T151 CarbonylContact O-C 3.58Å; L139-T151 WeakPolarHBondContact O-CB 3.31Å; L139-T151 WeakPolarHBondContact O-CG2 3.3Å; D149-T151 VanDerWaalsContact C-N 3.32Å; D149-T151 PolarHBondContact O-N 3.3Å; T151-A160 WeakPolarHBondContact O-CB 3.28Å; T151-A160 PolarHBondContact OG1-O 2.95Å; T151-P161 PolarHBondContact OG1-O 2.86Å; T151-N162 HydrophobicContact CG2-CB 4.43Å
152G64.4Low69Low21 Ų2167.1 Ų67.122%0.21642%0.418CS..  trans80.5-177.3-166.500000114A150 A160A150-G152 PolarHBondContact O-N 3.49Å; G152-A160 WeakPolarHBondContact O-CB 3.42Å; G152-A160 PolarHBondContact O-N 3.29Å
153Y70.2Confident69.2Low159 Ų15966.3 Ų66.362%0.62441%0.412SS*.BIsolated β-bridgetrans-117.4141.9172-68.4-88.7000109.5G157 K158 P159Y153-G157 WeakPolarHBondContact CD1-O 3.38Å; Y153-K158 CarbonylContact C-O 3.58Å; Y153-K158 WeakPolarHBondContact CA-O 3.49Å; Y153-P159 HydrophobicContact CE1-CG 4.31Å
154L79.8Confident69.1Low52 Ų5265 Ų6527%0.27240%0.403SS..  trans-65.2158.5168.2-59.9179000109.9S156 G157 K158 A160L154-S156 PolarHBondContact O-N 3.14Å; L154-G157 PolarHBondContact O-N 3.38Å; L154-K158 HydrophobicContact CD1-CB 4.42Å; L154-K158 PolarHBondContact N-O 3.05Å; L154-A160 HydrophobicContact CD2-CB 4.38Å
155P78.5Confident69Low147 Ų14763.3 Ų63.396%0.95539%0.387SS*.THydrogen-bonded Turntrans-56.1-15.6173.4-27.235.8000115G157P155-G157 VanDerWaalsContact C-N 3.31Å
156S84.3Confident69.5Low82 Ų8263.6 Ų63.657%0.57336%0.364SS*.THydrogen-bonded Turntrans-82.61.5173.258.70000114.6L154 K158L154-S156 PolarHBondContact O-N 3.14Å; S156-K158 PolarHBondContact O-N 3.02Å
157G79Confident70.4Confident54 Ų5459.6 Ų59.656%0.55735%0.345SS*.SBendtrans75.3-2.2-174.700000114.7Y153 L154 P155Y153-G157 WeakPolarHBondContact CD1-O 3.38Å; L154-G157 PolarHBondContact O-N 3.38Å; P155-G157 VanDerWaalsContact C-N 3.31Å
158K78.1Confident71.4Confident142 Ų14259.4 Ų59.462%0.61734%0.34SS*.SBendtrans-75.5146.6172.8-64.5-177.4179.8-179.10110.2Y153 L154 S156Y153-K158 CarbonylContact C-O 3.58Å; Y153-K158 WeakPolarHBondContact CA-O 3.49Å; L154-K158 HydrophobicContact CD1-CB 4.42Å; L154-K158 PolarHBondContact N-O 3.05Å; S156-K158 PolarHBondContact O-N 3.02Å
159P72.9Confident72.5Confident89 Ų8962.9 Ų62.958%0.57836%0.356SS*.BIsolated β-bridgetrans-53.3142.9170.5-24.734.2000111.1Y153Y153-P159 HydrophobicContact CE1-CG 4.31Å
160A72.9Confident73.7Confident9 Ų964.6 Ų64.67%0.07436%0.362CS..PPolyproline II helixtrans-65.2155.9170.200000110.8T151 G152 L154 N162T151-A160 WeakPolarHBondContact O-CB 3.28Å; T151-A160 PolarHBondContact OG1-O 2.95Å; G152-A160 WeakPolarHBondContact O-CB 3.42Å; G152-A160 PolarHBondContact O-N 3.29Å; L154-A160 HydrophobicContact CD2-CB 4.38Å; A160-N162 PolarHBondContact O-N 3.11Å
161P71.1Confident74.9Confident44 Ų4465.6 Ų65.629%0.28636%0.364SS..PPolyproline II helixtrans-62.4124.6174.6-19.432.1000110.4T151 F163T151-P161 PolarHBondContact OG1-O 2.86Å; P161-F163 HydrophobicContact CB-CE1 4.12Å; P161-F163 HydrophobicContact CB-CE2 4.45Å; P161-F163 HydrophobicContact CB-CZ 3.92Å; P161-F163 HydrophobicContact CG-CZ 4.17Å; P161-F163 WeakPolarHBondContact O-CD2 3.31Å; P161-F163 WeakPolarHBondContact O-CE2 3.39Å; P161-F163 PolarHBondContact O-N 2.82Å
162N67.7Low76Confident31 Ų3165.7 Ų65.717%0.16636%0.364CS..  trans-71.7105.8176.6-173.4-8.9000110.8D149 T151 A160 L164 Q166D149-N162 PolarHBondContact OD1-ND2 3.45Å; T151-N162 HydrophobicContact CG2-CB 4.43Å; A160-N162 PolarHBondContact O-N 3.11Å; N162-L164 WeakPolarHBondContact OD1-CB 3.39Å; N162-L164 WeakPolarHBondContact OD1-CG 3.45Å; N162-L164 PolarHBondContact OD1-N 2.82Å; N162-Q166 PolarHBondContact O-NE2 3.12Å
163F69.3Low77.1Confident11 Ų1168.6 Ų68.65%0.04838%0.381CS..  trans-78.4-18.1177.7-56.2-72.1000113.8L139 P161 N165 Q166 F167 F325 L329L139-F163 HydrophobicContact CB-CE2 4.39Å; L139-F163 WeakPolarHBondContact O-CD2 3.45Å; P161-F163 HydrophobicContact CB-CE1 4.12Å; P161-F163 HydrophobicContact CB-CE2 4.45Å; P161-F163 HydrophobicContact CB-CZ 3.92Å; P161-F163 HydrophobicContact CG-CZ 4.17Å; P161-F163 WeakPolarHBondContact O-CD2 3.31Å; P161-F163 WeakPolarHBondContact O-CE2 3.39Å; P161-F163 PolarHBondContact O-N 2.82Å; F163-N165 PolarHBondContact O-N 3.16Å; F163-N165 VanDerWaalsContact O-N 3.11Å; F163-Q166 PolarHBondContact O-N 3.22Å; F163-F167 HydrophobicContact CB-CE2 4.44Å; F163-F167 WeakPolarHBondContact O-CD2 3.3Å; F163-F325 AromaticContact CE1-CD1 3.73Å; F163-F325 HydrophobicContact CE1-CD1 3.73Å; F163-F325 AromaticContact CE1-CE1 3.73Å; F163-F325 HydrophobicContact CE1-CE1 3.73Å; F163-F325 HydrophobicContact CE2-CD1 4.41Å; F163-F325 AromaticContact CE2-CE1 3.88Å; F163-F325 HydrophobicContact CE2-CE1 3.88Å; F163-F325 AromaticContact CZ-CD1 3.45Å; F163-F325 HydrophobicContact CZ-CD1 3.45Å; F163-F325 VanDerWaalsContact CZ-CD1 3.45Å; F163-F325 AromaticContact CZ-CE1 3.32Å; F163-F325 HydrophobicContact CZ-CE1 3.32Å; F163-L329 HydrophobicContact CD1-CD1 3.93Å; F163-L329 HydrophobicContact CE1-CD1 3.75Å
164L62.8Low77.9Confident5 Ų564.4 Ų64.43%0.02637%0.365CS..THydrogen-bonded Turntrans-54.8-35.2-177.4-62.9173.7000112.9I140 I148 N162 L183 L186 K187I140-L164 WeakPolarHBondContact O-CD2 3.41Å; I148-L164 HydrophobicContact CG1-CD1 4.21Å; I148-L164 WeakPolarHBondContact O-CD1 3.49Å; N162-L164 WeakPolarHBondContact OD1-CB 3.39Å; N162-L164 WeakPolarHBondContact OD1-CG 3.45Å; N162-L164 PolarHBondContact OD1-N 2.82Å; L164-L183 HydrophobicContact CD2-CD2 3.36Å; L164-L186 HydrophobicContact CD1-CB 4.27Å; L164-L186 HydrophobicContact CD1-CD1 4.25Å; L164-L186 HydrophobicContact CD2-CB 4.38Å; L164-L186 HydrophobicContact CD2-CD1 3.71Å; L164-K187 WeakPolarHBondContact O-CE 3.37Å
165N62.5Low78.2Confident95 Ų9562.5 Ų62.551%0.50836%0.355SS..THydrogen-bonded Turntrans-90.6-3.8-176.9-74.94.3000113.9F163F163-N165 PolarHBondContact O-N 3.16Å; F163-N165 VanDerWaalsContact O-N 3.11Å
166Q72.1Confident78.6Confident96 Ų9657.4 Ų57.445%0.44932%0.322SS..THydrogen-bonded Turntrans-93-24.8-172.2-63.417733.300113N162 F163 T168N162-Q166 PolarHBondContact O-NE2 3.12Å; F163-Q166 PolarHBondContact O-N 3.22Å; Q166-T168 PolarHBondContact O-N 3.29Å
167F79.8Confident78.8Confident26 Ų2662.4 Ų62.411%0.11433%0.333CS..  trans-75.2121.2176.6-62.3-77.7000112.3F163 E171 L172 L175 L183 K187F163-F167 HydrophobicContact CB-CE2 4.44Å; F163-F167 WeakPolarHBondContact O-CD2 3.3Å; F167-E171 HydrophobicContact CD1-CB 4.16Å; F167-L172 HydrophobicContact CB-CD2 3.66Å; F167-L172 HydrophobicContact CB-CG 3.91Å; F167-L172 HydrophobicContact CG-CD2 4.19Å; F167-L175 HydrophobicContact CD1-CD1 4.29Å; F167-L175 HydrophobicContact CE1-CD1 4.3Å; F167-L183 HydrophobicContact CD2-CD1 4.47Å; F167-K187 PolarHBondContact O-NZ 3.08Å
168T85.4Confident79Confident74 Ų7465.9 Ų65.945%0.45434%0.335SS..  trans-64157.4165.863.60000111.2Q166 Q170 E171 L172Q166-T168 PolarHBondContact O-N 3.29Å; T168-Q170 PolarHBondContact O-N 2.98Å; T168-E171 VanDerWaalsContact CB-OE2 3.31Å; T168-E171 WeakPolarHBondContact CB-OE2 3.37Å; T168-E171 WeakPolarHBondContact CG2-OE2 3.1Å; T168-E171 PolarHBondContact N-OE2 3.33Å; T168-E171 PolarHBondContact O-N 3.45Å; T168-E171 VanDerWaalsContact OG1-CD 3.3Å; T168-E171 WeakPolarHBondContact OG1-CG 3.3Å; T168-E171 PolarHBondContact OG1-N 3.46Å; T168-E171 VanDerWaalsContact OG1-N 3.13Å; T168-E171 PolarHBondContact OG1-OE2 3.31Å; T168-L172 WeakPolarHBondContact O-CG 3.46Å; T168-L172 PolarHBondContact O-N 2.97Å
169E85.3Confident79.3Confident103 Ų10359.9 Ų59.948%0.48131%0.31SS..Hα-helixtrans-63.1-25.7174.4-72.1-54.613100112.6L172 S173 R184 K187E169-L172 WeakPolarHBondContact OE1-CD1 3.18Å; E169-S173 PolarHBondContact O-N 3.27Å; E169-R184 IonicContact OE2-CZ 3.4Å; E169-R184 IonicContact OE2-NE 2.7Å; E169-R184 PolarHBondContact OE2-NE 2.9Å; E169-R184 IonicContact OE2-NH2 3.48Å; E169-R184 PolarHBondContact OE2-NH2 2.92Å; E169-K187 IonicContact OE1-NZ 3.74Å
170Q86.9Confident79.9Confident101 Ų10155.9 Ų55.947%0.47228%0.283SS..Hα-helixtrans-63.8-54.3171.6-175.1176.7-4.600110.5T168 L172 S173 Y174 N337T168-Q170 PolarHBondContact O-N 2.98Å; Q170-L172 VanDerWaalsContact C-N 3.32Å; Q170-L172 PolarHBondContact O-N 3.31Å; Q170-S173 WeakPolarHBondContact O-CB 3.18Å; Q170-S173 PolarHBondContact O-N 2.94Å; Q170-S173 PolarHBondContact O-OG 3.09Å; Q170-Y174 HydrophobicContact CG-CE2 4.03Å; Q170-Y174 WeakPolarHBondContact O-CD2 3.25Å; Q170-Y174 WeakPolarHBondContact O-CE2 3.35Å; Q170-N337 PolarHBondContact NE2-OD1 3.3Å
171E87Confident80.5Confident37 Ų3759.8 Ų59.817%0.17331%0.306CS..Hα-helixtrans-60.2-40.8178.2-69156.8132.800112.2F167 T168 S173 Y174 L175 S333F167-E171 HydrophobicContact CD1-CB 4.16Å; T168-E171 VanDerWaalsContact CB-OE2 3.31Å; T168-E171 WeakPolarHBondContact CB-OE2 3.37Å; T168-E171 WeakPolarHBondContact CG2-OE2 3.1Å; T168-E171 PolarHBondContact N-OE2 3.33Å; T168-E171 PolarHBondContact O-N 3.45Å; T168-E171 VanDerWaalsContact OG1-CD 3.3Å; T168-E171 WeakPolarHBondContact OG1-CG 3.3Å; T168-E171 PolarHBondContact OG1-N 3.46Å; T168-E171 VanDerWaalsContact OG1-N 3.13Å; T168-E171 PolarHBondContact OG1-OE2 3.31Å; E171-S173 PolarHBondContact O-N 3.37Å; E171-S173 VanDerWaalsContact O-N 3.14Å; E171-Y174 PolarHBondContact O-N 2.86Å; E171-L175 PolarHBondContact O-N 3.14Å; E171-S333 WeakPolarHBondContact OE1-CB 3.31Å; E171-S333 PolarHBondContact OE1-OG 3.16Å
172L86.2Confident81Confident2 Ų263.3 Ų63.31%0.0131%0.314CS..Hα-helixtrans-59.3-23.4175.7-73.1-173000113.8F167 T168 E169 Q170 Y174 L175 T180 L183F167-L172 HydrophobicContact CB-CD2 3.66Å; F167-L172 HydrophobicContact CB-CG 3.91Å; F167-L172 HydrophobicContact CG-CD2 4.19Å; T168-L172 WeakPolarHBondContact O-CG 3.46Å; T168-L172 PolarHBondContact O-N 2.97Å; E169-L172 WeakPolarHBondContact OE1-CD1 3.18Å; Q170-L172 VanDerWaalsContact C-N 3.32Å; Q170-L172 PolarHBondContact O-N 3.31Å; L172-Y174 VanDerWaalsContact C-N 3.3Å; L172-L175 HydrophobicContact CD2-CD1 3.89Å; L172-T180 HydrophobicContact CB-CG2 3.96Å; L172-T180 HydrophobicContact CD2-CG2 4.42Å; L172-T180 WeakPolarHBondContact O-CG2 3.34Å; L172-T180 PolarHBondContact O-OG1 3.2Å; L172-L183 HydrophobicContact CD2-CB 4.39Å; L172-L183 HydrophobicContact CD2-CD1 3.6Å
173S88.2Confident81.6Confident82 Ų8261.9 Ų61.957%0.57331%0.306SS*.Hα-helixtrans-73.1-20.5176.3790000113.8E169 Q170 E171E169-S173 PolarHBondContact O-N 3.27Å; Q170-S173 WeakPolarHBondContact O-CB 3.18Å; Q170-S173 PolarHBondContact O-N 2.94Å; Q170-S173 PolarHBondContact O-OG 3.09Å; E171-S173 PolarHBondContact O-N 3.37Å; E171-S173 VanDerWaalsContact O-N 3.14Å
174Y85.6Confident82.3Confident71 Ų7166.7 Ų66.728%0.27832%0.324SS..Hα-helixtrans-97.6-11.6178.5-59.9-95.5000113.5C128 Q170 E171 L172 I336C128-Y174 VanDerWaalsContact CB-O 3.25Å; C128-Y174 WeakPolarHBondContact CB-O 3.35Å; C128-Y174 PolarHBondContact SG-O 2.97Å; Q170-Y174 HydrophobicContact CG-CE2 4.03Å; Q170-Y174 WeakPolarHBondContact O-CD2 3.25Å; Q170-Y174 WeakPolarHBondContact O-CE2 3.35Å; E171-Y174 PolarHBondContact O-N 2.86Å; L172-Y174 VanDerWaalsContact C-N 3.3Å; Y174-I336 HydrophobicContact CD1-CG2 3.8Å; Y174-I336 HydrophobicContact CD2-CG2 3.08Å; Y174-I336 HydrophobicContact CE1-CG2 4.01Å; Y174-I336 VanDerWaalsContact CE1-O 3.31Å; Y174-I336 WeakPolarHBondContact CE1-O 3.39Å; Y174-I336 HydrophobicContact CE2-CG2 3.36Å; Y174-I336 HydrophobicContact CG-CG2 3.32Å; Y174-I336 PolarHBondContact OH-O 3.09Å
175L86.3Confident83.2Confident12 Ų1269 Ų696%0.06334%0.344CS..SBendtrans-77.3149.2174.3-63.7-178.4000111.1C128 L131 F167 E171 L172 K177 M179 T180 L183C128-L175 HydrophobicContact CB-CD2 3.89Å; L131-L175 HydrophobicContact CD1-CD2 4.41Å; F167-L175 HydrophobicContact CD1-CD1 4.29Å; F167-L175 HydrophobicContact CE1-CD1 4.3Å; E171-L175 PolarHBondContact O-N 3.14Å; L172-L175 HydrophobicContact CD2-CD1 3.89Å; L175-K177 PolarHBondContact O-N 3.2Å; L175-M179 HydrophobicContact CB-SD 4.13Å; L175-M179 HydrophobicContact CD1-CE 4.2Å; L175-M179 HydrophobicContact CD1-SD 3.87Å; L175-M179 HydrophobicContact CD2-SD 4Å; L175-M179 HydrophobicContact CG-SD 4.22Å; L175-T180 WeakPolarHBondContact CB-OG1 3.23Å; L175-T180 PolarHBondContact O-OG1 3.33Å; L175-L183 HydrophobicContact CD1-CD1 3.76Å
176P87.6Confident83.8Confident40 Ų4066.1 Ų66.126%0.2633%0.328SS..  trans-55.6138.7176.1-30.239.6000112.9N129 S132 E178 M179 T180N129-P176 WeakPolarHBondContact OD1-CG 3.32Å; S132-P176 VanDerWaalsContact OG-CD 3.31Å; S132-P176 WeakPolarHBondContact OG-CD 3.42Å; S132-P176 VanDerWaalsContact OG-CG 3.3Å; S132-P176 WeakPolarHBondContact OG-CG 3.39Å; P176-E178 PolarHBondContact O-N 3.11Å; P176-M179 WeakPolarHBondContact O-CA 3.48Å; P176-M179 WeakPolarHBondContact O-CB 3.49Å; P176-M179 PolarHBondContact O-N 3.41Å; P176-T180 PolarHBondContact O-N 2.94Å; P176-T180 PolarHBondContact O-OG1 3.4Å
177K87.3Confident84.1Confident187 Ų18763.9 Ų63.981%0.81332%0.317SS*.Hα-helixtrans-50.7-38-173.1-69.1-176.7178.1-179.50114.1L175 T181L175-K177 PolarHBondContact O-N 3.2Å; K177-T181 VanDerWaalsContact O-CB 3.28Å; K177-T181 WeakPolarHBondContact O-CB 3.3Å; K177-T181 PolarHBondContact O-N 3.16Å; K177-T181 PolarHBondContact O-OG1 3.07Å
178E84.1Confident84.1Confident126 Ų12664.9 Ų64.959%0.58933%0.33SS*.Hα-helixtrans-63.6-50.2176.9-174.3-177.8176.900111.8P176 T181 R182P176-E178 PolarHBondContact O-N 3.11Å; E178-T181 PolarHBondContact O-N 3.38Å; E178-R182 WeakPolarHBondContact O-CG 3.43Å; E178-R182 PolarHBondContact O-N 3.05Å; E178-R182 IonicContact OE1-CZ 3.37Å; E178-R182 IonicContact OE1-NE 3.53Å; E178-R182 PolarHBondContact OE1-NE 3.38Å; E178-R182 IonicContact OE1-NH2 3.36Å; E178-R182 PolarHBondContact OE1-NH2 2.94Å
179M83.5Confident83.6Confident17 Ų1764.3 Ų64.38%0.08433%0.329CS..Hα-helixtrans-58.6-49.6176.2-171.2-169.8-17100110.3L131 S132 I140 L175 P176 T181 R182 L183L131-M179 HydrophobicContact CB-CE 4.06Å; S132-M179 PolarHBondContact OG-SD 3.24Å; I140-M179 HydrophobicContact CD1-CE 3.64Å; I140-M179 HydrophobicContact CG2-CE 3.76Å; L175-M179 HydrophobicContact CB-SD 4.13Å; L175-M179 HydrophobicContact CD1-CE 4.2Å; L175-M179 HydrophobicContact CD1-SD 3.87Å; L175-M179 HydrophobicContact CD2-SD 4Å; L175-M179 HydrophobicContact CG-SD 4.22Å; P176-M179 WeakPolarHBondContact O-CA 3.48Å; P176-M179 WeakPolarHBondContact O-CB 3.49Å; P176-M179 PolarHBondContact O-N 3.41Å; M179-T181 VanDerWaalsContact C-N 3.3Å; M179-T181 PolarHBondContact O-N 3.45Å; M179-R182 PolarHBondContact O-N 3.06Å; M179-L183 HydrophobicContact CE-CD1 4.39Å; M179-L183 HydrophobicContact CG-CD1 4.08Å; M179-L183 HydrophobicContact CG-CG 4.44Å; M179-L183 WeakPolarHBondContact O-CB 3.42Å; M179-L183 VanDerWaalsContact O-CG 3.28Å; M179-L183 WeakPolarHBondContact O-CG 3.34Å; M179-L183 PolarHBondContact O-N 2.9Å
180T86.4Confident82.9Confident4 Ų461.7 Ų61.73%0.02532%0.316CS..Hα-helixtrans-62.4-36.1179.1-50.40000112.5L172 L175 P176 L183 R184L172-T180 HydrophobicContact CB-CG2 3.96Å; L172-T180 HydrophobicContact CD2-CG2 4.42Å; L172-T180 WeakPolarHBondContact O-CG2 3.34Å; L172-T180 PolarHBondContact O-OG1 3.2Å; L175-T180 WeakPolarHBondContact CB-OG1 3.23Å; L175-T180 PolarHBondContact O-OG1 3.33Å; P176-T180 PolarHBondContact O-N 2.94Å; P176-T180 PolarHBondContact O-OG1 3.4Å; T180-L183 PolarHBondContact O-N 3.04Å; T180-R184 HydrophobicContact CG2-CG 4.5Å; T180-R184 VanDerWaalsContact CG2-CZ 3.48Å; T180-R184 VanDerWaalsContact CG2-NH1 3.35Å; T180-R184 WeakPolarHBondContact O-CB 3.43Å; T180-R184 WeakPolarHBondContact O-CG 3.14Å; T180-R184 PolarHBondContact O-N 2.57Å
181T86Confident82Confident91 Ų9160.6 Ų60.656%0.55832%0.32SS*.Hα-helixtrans-65.3-46.2175.4-59.90000110.8K177 E178 M179 R184 A185K177-T181 VanDerWaalsContact O-CB 3.28Å; K177-T181 WeakPolarHBondContact O-CB 3.3Å; K177-T181 PolarHBondContact O-N 3.16Å; K177-T181 PolarHBondContact O-OG1 3.07Å; E178-T181 PolarHBondContact O-N 3.38Å; M179-T181 VanDerWaalsContact C-N 3.3Å; M179-T181 PolarHBondContact O-N 3.45Å; T181-R184 PolarHBondContact O-N 3.44Å; T181-A185 WeakPolarHBondContact O-CB 3.49Å; T181-A185 PolarHBondContact O-N 3.39Å
182R80Confident81Confident118 Ų11864.9 Ų64.945%0.44534%0.34SS..Hα-helixtrans-60.5-48174.6-67.3175.6-175.2-141.64.7111.2L141 E178 M179 R184 A185 L186L141-R182 HydrophobicContact CD2-CB 4.11Å; E178-R182 WeakPolarHBondContact O-CG 3.43Å; E178-R182 PolarHBondContact O-N 3.05Å; E178-R182 IonicContact OE1-CZ 3.37Å; E178-R182 IonicContact OE1-NE 3.53Å; E178-R182 PolarHBondContact OE1-NE 3.38Å; E178-R182 IonicContact OE1-NH2 3.36Å; E178-R182 PolarHBondContact OE1-NH2 2.94Å; M179-R182 PolarHBondContact O-N 3.06Å; R182-R184 PolarHBondContact O-N 3.15Å; R182-A185 PolarHBondContact O-N 3.15Å; R182-L186 WeakPolarHBondContact O-CB 3.2Å; R182-L186 VanDerWaalsContact O-CG 3.25Å; R182-L186 WeakPolarHBondContact O-CG 3.21Å; R182-L186 PolarHBondContact O-N 2.9Å
183L81.5Confident79.8Confident1 Ų167.7 Ų67.71%0.00536%0.36CS..Hα-helixtrans-59.2-42.2177.8-68.9174.4000112.4I140 L164 F167 L172 L175 M179 T180 L186 K187I140-L183 HydrophobicContact CG2-CD2 3.94Å; L164-L183 HydrophobicContact CD2-CD2 3.36Å; F167-L183 HydrophobicContact CD2-CD1 4.47Å; L172-L183 HydrophobicContact CD2-CB 4.39Å; L172-L183 HydrophobicContact CD2-CD1 3.6Å; L175-L183 HydrophobicContact CD1-CD1 3.76Å; M179-L183 HydrophobicContact CE-CD1 4.39Å; M179-L183 HydrophobicContact CG-CD1 4.08Å; M179-L183 HydrophobicContact CG-CG 4.44Å; M179-L183 WeakPolarHBondContact O-CB 3.42Å; M179-L183 VanDerWaalsContact O-CG 3.28Å; M179-L183 WeakPolarHBondContact O-CG 3.34Å; M179-L183 PolarHBondContact O-N 2.9Å; T180-L183 PolarHBondContact O-N 3.04Å; L183-L186 PolarHBondContact O-N 2.67Å; L183-K187 WeakPolarHBondContact O-CG 3.3Å; L183-K187 PolarHBondContact O-N 3.2Å
184R84.4Confident78.4Confident113 Ų11368 Ų6843%0.42636%0.358SS..Hα-helixtrans-68.7-42.5176.6-75.7-179.8177.8135.53.8112.7E169 T180 T181 R182 L186 K187 A188E169-R184 IonicContact OE2-CZ 3.4Å; E169-R184 IonicContact OE2-NE 2.7Å; E169-R184 PolarHBondContact OE2-NE 2.9Å; E169-R184 IonicContact OE2-NH2 3.48Å; E169-R184 PolarHBondContact OE2-NH2 2.92Å; T180-R184 HydrophobicContact CG2-CG 4.5Å; T180-R184 VanDerWaalsContact CG2-CZ 3.48Å; T180-R184 VanDerWaalsContact CG2-NH1 3.35Å; T180-R184 WeakPolarHBondContact O-CB 3.43Å; T180-R184 WeakPolarHBondContact O-CG 3.14Å; T180-R184 PolarHBondContact O-N 2.57Å; T181-R184 PolarHBondContact O-N 3.44Å; R182-R184 PolarHBondContact O-N 3.15Å; R184-L186 VanDerWaalsContact C-N 3.27Å; R184-L186 PolarHBondContact O-N 3.41Å; R184-K187 PolarHBondContact O-N 3.05Å; R184-A188 WeakPolarHBondContact O-CB 3.23Å; R184-A188 PolarHBondContact O-N 3.45Å
185A80.7Confident77.2Confident54 Ų5468.4 Ų68.445%0.44637%0.368SS..Hα-helixtrans-58.7-42.4173.600000110.9T181 R182 A188 S189T181-A185 WeakPolarHBondContact O-CB 3.49Å; T181-A185 PolarHBondContact O-N 3.39Å; R182-A185 PolarHBondContact O-N 3.15Å; A185-A188 PolarHBondContact O-N 2.55Å; A185-S189 PolarHBondContact O-N 3.39Å; A185-S189 PolarHBondContact O-OG 2.98Å; A185-S189 VanDerWaalsContact O-OG 3.07Å
186L75.6Confident75.5Confident33 Ų3372.9 Ų72.917%0.17339%0.392CS..Hα-helixtrans-65.1-47.7176.1-67.6171.9000112.2L141 P142 I148 L164 R182 L183 R184 A188 S189 K190L141-L186 HydrophobicContact CD2-CD1 3.75Å; P142-L186 HydrophobicContact CG-CD2 4.3Å; I148-L186 HydrophobicContact CD1-CB 3.87Å; I148-L186 HydrophobicContact CD1-CD2 3.61Å; I148-L186 HydrophobicContact CD1-CG 4.34Å; I148-L186 WeakPolarHBondContact CD1-O 3.38Å; I148-L186 HydrophobicContact CG1-CB 4.26Å; I148-L186 HydrophobicContact CG1-CD2 3.92Å; L164-L186 HydrophobicContact CD1-CB 4.27Å; L164-L186 HydrophobicContact CD1-CD1 4.25Å; L164-L186 HydrophobicContact CD2-CB 4.38Å; L164-L186 HydrophobicContact CD2-CD1 3.71Å; R182-L186 WeakPolarHBondContact O-CB 3.2Å; R182-L186 VanDerWaalsContact O-CG 3.25Å; R182-L186 WeakPolarHBondContact O-CG 3.21Å; R182-L186 PolarHBondContact O-N 2.9Å; L183-L186 PolarHBondContact O-N 2.67Å; R184-L186 VanDerWaalsContact C-N 3.27Å; R184-L186 PolarHBondContact O-N 3.41Å; L186-A188 VanDerWaalsContact C-N 3.27Å; L186-A188 PolarHBondContact O-N 2.86Å; L186-S189 PolarHBondContact O-N 3.16Å; L186-K190 PolarHBondContact O-N 3.08Å
187K77.7Confident73.6Confident49 Ų4976.2 Ų76.221%0.21341%0.407CS..Hα-helixtrans-54.1-43.6173.4-75.6-176.2179.8-174.10111.4L164 F167 E169 L183 R184 K190 S191L164-K187 WeakPolarHBondContact O-CE 3.37Å; F167-K187 PolarHBondContact O-NZ 3.08Å; E169-K187 IonicContact OE1-NZ 3.74Å; L183-K187 WeakPolarHBondContact O-CG 3.3Å; L183-K187 PolarHBondContact O-N 3.2Å; R184-K187 PolarHBondContact O-N 3.05Å; K187-K190 PolarHBondContact O-N 3.4Å; K187-S191 PolarHBondContact O-N 3.24Å; K187-S191 VanDerWaalsContact O-N 3.1Å; K187-S191 PolarHBondContact O-OG 3.23Å
188A80.1Confident71.5Confident48 Ų4869.1 Ų69.140%0.39738%0.381SS..Hα-helixtrans-66.3-44.8178.800000113.3R184 A185 L186 K190 S191 Q192R184-A188 WeakPolarHBondContact O-CB 3.23Å; R184-A188 PolarHBondContact O-N 3.45Å; A185-A188 PolarHBondContact O-N 2.55Å; L186-A188 VanDerWaalsContact C-N 3.27Å; L186-A188 PolarHBondContact O-N 2.86Å; A188-K190 VanDerWaalsContact C-N 3.29Å; A188-K190 PolarHBondContact O-N 2.88Å; A188-S191 PolarHBondContact O-N 3.16Å; A188-Q192 WeakPolarHBondContact O-CG 3.35Å; A188-Q192 PolarHBondContact O-N 2.91Å
189S74.7Confident69.9Low61 Ų6166.6 Ų66.643%0.42737%0.374SS..Hα-helixtrans-60.9-37.4176.4-61.40000112.3A185 L186 Q192 S193A185-S189 PolarHBondContact O-N 3.39Å; A185-S189 PolarHBondContact O-OG 2.98Å; A185-S189 VanDerWaalsContact O-OG 3.07Å; L186-S189 PolarHBondContact O-N 3.16Å; S189-Q192 PolarHBondContact O-N 3.33Å; S189-S193 PolarHBondContact O-N 2.85Å
190K70.8Confident67.8Low48 Ų4870.9 Ų70.921%0.20940%0.397CS..Hα-helixtrans-66.7-42.4174.3-175.5166.6178.5165.20112.2I148 D149 L186 K187 A188 Q192 S193 V194I148-K190 HydrophobicContact CD1-CB 4.37Å; I148-K190 HydrophobicContact CG2-CB 4.22Å; I148-K190 HydrophobicContact CG2-CD 4.4Å; I148-K190 HydrophobicContact CG2-CG 4.38Å; D149-K190 IonicContact OD1-NZ 2.62Å; D149-K190 PolarHBondContact OD1-NZ 2.75Å; D149-K190 WeakPolarHBondContact OD2-CE 3.37Å; D149-K190 IonicContact OD2-NZ 2.99Å; D149-K190 PolarHBondContact OD2-NZ 3.4Å; L186-K190 PolarHBondContact O-N 3.08Å; K187-K190 PolarHBondContact O-N 3.4Å; A188-K190 VanDerWaalsContact C-N 3.29Å; A188-K190 PolarHBondContact O-N 2.88Å; K190-Q192 VanDerWaalsContact C-N 3.31Å; K190-Q192 PolarHBondContact O-N 3.28Å; K190-S193 PolarHBondContact O-N 3.07Å; K190-S193 PolarHBondContact O-OG 3.2Å; K190-V194 WeakPolarHBondContact O-CG2 3.36Å; K190-V194 PolarHBondContact O-N 2.92Å; K190-V194 VanDerWaalsContact O-N 3.13Å
191S69.2Low65.6Low78 Ų7876.4 Ų76.455%0.54542%0.422SS..Hα-helixtrans-60.6-40.6174.1-63.40000112.1K187 A188 V194 V195K187-S191 PolarHBondContact O-N 3.24Å; K187-S191 VanDerWaalsContact O-N 3.1Å; K187-S191 PolarHBondContact O-OG 3.23Å; A188-S191 PolarHBondContact O-N 3.16Å; S191-V194 PolarHBondContact O-N 2.86Å; S191-V195 VanDerWaalsContact O-CG2 3.29Å; S191-V195 WeakPolarHBondContact O-CG2 3.44Å; S191-V195 PolarHBondContact O-N 3.05Å
192Q64.6Low63.6Low127 Ų12778.9 Ų78.959%0.59343%0.425SS*.Hα-helixtrans-65.2-41.6176.5-72177.2-6.100112.9A188 S189 K190 V194 V195 N196A188-Q192 WeakPolarHBondContact O-CG 3.35Å; A188-Q192 PolarHBondContact O-N 2.91Å; S189-Q192 PolarHBondContact O-N 3.33Å; K190-Q192 VanDerWaalsContact C-N 3.31Å; K190-Q192 PolarHBondContact O-N 3.28Å; Q192-V194 PolarHBondContact O-N 3.18Å; Q192-V195 PolarHBondContact O-N 3.13Å; Q192-N196 PolarHBondContact O-N 2.8Å
193S61.3Low61.5Low62 Ų6276.8 Ų76.843%0.43443%0.428SS..Hα-helixtrans-65.2-38.4177.966.20000112.4S189 K190 L197S189-S193 PolarHBondContact O-N 2.85Å; K190-S193 PolarHBondContact O-N 3.07Å; K190-S193 PolarHBondContact O-OG 3.2Å; S193-L197 PolarHBondContact O-N 3.27Å; S193-L197 VanDerWaalsContact O-N 3.1Å
194V59.4Low59.4Low87 Ų8783.3 Ų83.353%0.52746%0.458SS..Hα-helixtrans-67-41.3174.4175.30000111.7K190 S191 Q192 L197 S198K190-V194 WeakPolarHBondContact O-CG2 3.36Å; K190-V194 PolarHBondContact O-N 2.92Å; K190-V194 VanDerWaalsContact O-N 3.13Å; S191-V194 PolarHBondContact O-N 2.86Å; Q192-V194 PolarHBondContact O-N 3.18Å; V194-L197 PolarHBondContact O-N 2.63Å; V194-S198 WeakPolarHBondContact O-CB 3.43Å; V194-S198 PolarHBondContact O-N 3.43Å; V194-S198 PolarHBondContact O-OG 3.13Å
195V59.3Low57.3Low81 Ų8181.5 Ų81.549%0.49146%0.463SS..Hα-helixtrans-61.8-46.4175.8168.40000110.9S191 Q192 L197 S198 T199S191-V195 VanDerWaalsContact O-CG2 3.29Å; S191-V195 WeakPolarHBondContact O-CG2 3.44Å; S191-V195 PolarHBondContact O-N 3.05Å; Q192-V195 PolarHBondContact O-N 3.13Å; V195-L197 PolarHBondContact O-N 3.03Å; V195-S198 PolarHBondContact O-N 2.96Å; V195-S198 PolarHBondContact O-OG 3.16Å; V195-T199 WeakPolarHBondContact O-CB 3.27Å; V195-T199 PolarHBondContact O-N 3.27Å; V195-T199 PolarHBondContact O-OG1 3.48Å
196N50.8Low55.5Low106 Ų10685.3 Ų85.357%0.56748%0.476SS*.Hα-helixtrans-61-42.1178.4-72.4-12.5000112.3Q192 T199 L200Q192-N196 PolarHBondContact O-N 2.8Å; N196-T199 PolarHBondContact O-N 3.49Å; N196-L200 PolarHBondContact O-N 3.47Å; N196-L200 VanDerWaalsContact O-N 3.08Å
197L47.6Very low53.8Low109 Ų10990.5 Ų90.557%0.57150%0.502SS*.Hα-helixtrans-64-47.4176.9-161.769.9000111.6S193 V194 V195 T199 L200 E201S193-L197 PolarHBondContact O-N 3.27Å; S193-L197 VanDerWaalsContact O-N 3.1Å; V194-L197 PolarHBondContact O-N 2.63Å; V195-L197 PolarHBondContact O-N 3.03Å; L197-T199 PolarHBondContact O-N 3.47Å; L197-L200 PolarHBondContact O-N 3.01Å; L197-E201 PolarHBondContact O-N 3.34Å
198S44.5Very low51.7Low39 Ų3993.7 Ų93.727%0.27353%0.529SS..Hα-helixtrans-66.6-21.1177.573.50000114V194 V195 K202V194-S198 WeakPolarHBondContact O-CB 3.43Å; V194-S198 PolarHBondContact O-N 3.43Å; V194-S198 PolarHBondContact O-OG 3.13Å; V195-S198 PolarHBondContact O-N 2.96Å; V195-S198 PolarHBondContact O-OG 3.16Å; S198-K202 WeakPolarHBondContact O-CB 3.24Å; S198-K202 VanDerWaalsContact O-CG 3.29Å; S198-K202 WeakPolarHBondContact O-CG 3.43Å; S198-K202 PolarHBondContact O-N 3.28Å
199T49.3Very low49.8Very low73 Ų73100.2 Ų100.245%0.44855%0.549SS..Hα-helixtrans-79.8-37.9175.3-55.80000110.6V195 N196 L197 K202 C203V195-T199 WeakPolarHBondContact O-CB 3.27Å; V195-T199 PolarHBondContact O-N 3.27Å; V195-T199 PolarHBondContact O-OG1 3.48Å; N196-T199 PolarHBondContact O-N 3.49Å; L197-T199 PolarHBondContact O-N 3.47Å; T199-K202 PolarHBondContact O-N 2.87Å; T199-C203 PolarHBondContact O-N 2.7Å
200L40.5Very low47.8Very low106 Ų106106.3 Ų106.356%0.55557%0.568SS**Hα-helixtrans-63.3-47.9171.7-74.8164.5000111.5N196 L197 K202 C203 E204N196-L200 PolarHBondContact O-N 3.47Å; N196-L200 VanDerWaalsContact O-N 3.08Å; L197-L200 PolarHBondContact O-N 3.01Å; L200-K202 PolarHBondContact O-N 3.48Å; L200-C203 WeakPolarHBondContact O-CB 3.37Å; L200-C203 PolarHBondContact O-N 3.23Å; L200-E204 PolarHBondContact O-N 2.91Å
201E40.6Very low46.1Very low120 Ų120111.2 Ų111.256%0.56160%0.596SS**Hα-helixtrans-60-33.4176.9-68.6177.4155.600112.7L197 S205L197-E201 PolarHBondContact O-N 3.34Å; E201-S205 WeakPolarHBondContact O-CB 3.2Å; E201-S205 PolarHBondContact O-N 3.11Å; E201-S205 PolarHBondContact O-OG 3.03Å
202K43.3Very low44.4Very low143 Ų143115.7 Ų115.762%0.62261%0.614SS**Hα-helixtrans-75.2-23.9173.7-77.9174.8-179.5173.20113.8S198 T199 L200 S205 N206S198-K202 WeakPolarHBondContact O-CB 3.24Å; S198-K202 VanDerWaalsContact O-CG 3.29Å; S198-K202 WeakPolarHBondContact O-CG 3.43Å; S198-K202 PolarHBondContact O-N 3.28Å; T199-K202 PolarHBondContact O-N 2.87Å; L200-K202 PolarHBondContact O-N 3.48Å; K202-S205 WeakPolarHBondContact CA-OG 3.12Å; K202-S205 PolarHBondContact O-OG 3.16Å; K202-N206 PolarHBondContact O-ND2 2.83Å
203C35.8Very low43.1Very low74 Ų74114.5 Ų114.550%0.562%0.619SS.*Hα-helixtrans-78.8-43.4171.8-77.10000111.6T199 L200 S205 N206T199-C203 PolarHBondContact O-N 2.7Å; L200-C203 WeakPolarHBondContact O-CB 3.37Å; L200-C203 PolarHBondContact O-N 3.23Å; C203-S205 PolarHBondContact O-N 3.28Å; C203-N206 PolarHBondContact O-N 3.17Å
204E36.4Very low42.1Very low139 Ų139116.4 Ų116.465%0.6563%0.633SS**Hα-helixtrans-66-38.3-178.9-68.4-176.1160.600112.6L200 N206 I207L200-E204 PolarHBondContact O-N 2.91Å; E204-N206 PolarHBondContact O-N 2.93Å; E204-I207 PolarHBondContact O-N 3.43Å
205S40.3Very low41.4Very low74 Ų74118.8 Ų118.852%0.51765%0.648SS.*Hα-helixtrans-68.4-14.2177.749.20000115.1E201 K202 C203E201-S205 WeakPolarHBondContact O-CB 3.2Å; E201-S205 PolarHBondContact O-N 3.11Å; E201-S205 PolarHBondContact O-OG 3.03Å; K202-S205 WeakPolarHBondContact CA-OG 3.12Å; K202-S205 PolarHBondContact O-OG 3.16Å; C203-S205 PolarHBondContact O-N 3.28Å
206N43.5Very low40.7Very low134 Ų134120.3 Ų120.372%0.71766%0.659SS**Hα-helixtrans-100.6-7.9179.3-78.8-58000114.6K202 C203 E204K202-N206 PolarHBondContact O-ND2 2.83Å; C203-N206 PolarHBondContact O-N 3.17Å; E204-N206 PolarHBondContact O-N 2.93Å
207I40.4Very low40.4Very low143 Ų143121.4 Ų121.473%0.73367%0.669SS**Hα-helixtrans-95.8-21.6-178.1-68.5172.4000112.3E204 K209E204-I207 PolarHBondContact O-N 3.43Å; I207-K209 PolarHBondContact O-N 3.3Å
208C34.1Very low40.1Very low116 Ų116122 Ų12278%0.78468%0.68SS**SBendtrans-90.223.9-174.1-140.50000115.5
209K38.9Very low40Very low185 Ų185124.4 Ų124.480%0.80470%0.702SS**  trans-139.359.1-178.4-69.5-175.3-178.7172.60113.7I207I207-K209 PolarHBondContact O-N 3.3Å
210K34.1Very low39.7Very low189 Ų189127.1 Ų127.182%0.82272%0.721SS**  trans-154.8131.8162.8-110.3160.9-174.1176.30112.6
211N33.8Very low39.5Very low150 Ų150128.4 Ų128.480%0.80273%0.734SS**  trans79.787157.5-52.1-4.7000118.5
212N33.2Very low39.6Very low173 Ų173127.9 Ų127.993%0.92574%0.74SS**  trans-98.7112.3151.7-94.7-17000109.4
213S39.3Very low39.4Very low101 Ų101126.8 Ų126.871%0.70675%0.751SS**  trans-169.8115.215660.50000112.6
214S40Very low39.8Very low103 Ų103128.8 Ų128.872%0.7277%0.766SS**  trans33139.8135.859.30000121.2
215T43.2Very low39.9Very low136 Ų136129.4 Ų129.483%0.83477%0.772SS**  cis-171175.13.4150000108.7
216P44.7Very low39.8Very low113 Ų113131.7 Ų131.773%0.73479%0.785SS**  trans-124.4-157.8-147.537-18.2000117.7
217V45.7Very low39.5Very low129 Ų129134.8 Ų134.878%0.78279%0.792SS**  trans102.1139.7158.3-175.40000116.9
218P41Very low39.6Very low121 Ų121133.9 Ų133.979%0.78680%0.798SS**  cis-139.3-165.1-38.842.5-21.6000115.1
219A41.9Very low39.8Very low90 Ų90136.3 Ų136.374%0.74480%0.798SS**  trans-108.4176.4178.200000114.8
220P43.2Very low39.5Very low130 Ų130138.2 Ų138.284%0.84480%0.8SS**  -149.2168.3117.537.7-20.2000118.7
221T35.6Very low39.6Very low134 Ų134135.9 Ų135.982%0.82280%0.801SS**  trans-99.9-162.1179.130.30000112.8
222P44.4Very low39.7Very low108 Ų108137.2 Ų137.270%0.70180%0.8SS**  cis-139.6-171.9-12.5251.4000117.6
223S38.6Very low39.5Very low121 Ų121136 Ų13685%0.84679%0.793SS**  trans87.3149.8153.882.10000118.8
224S43Very low39.3Very low115 Ų115143 Ų14380%0.80480%0.804SS**  cis-150.3175.111.860.60000114
225I39.5Very low38.8Very low153 Ų153145 Ų14579%0.78581%0.806SS**  trans-116.1159-173.6-31.6174.3000110.7
226P38.6Very low38.4Very low121 Ų121143.4 Ų143.479%0.78680%0.801SS**  -154.9137.510336.5-16.4000119.8
227K37Very low38Very low200 Ų200146.5 Ų146.587%0.8780%0.803SS**  trans23.7125.9141.1-58.9175-176.9172.20123.9
228S42.4Very low37.5Very low123 Ų123148.6 Ų148.686%0.8680%0.801SS**  trans-162.1157.6138.561.20000108.6
229E38.4Very low37.1Very low168 Ų168148.1 Ų148.179%0.78580%0.796SS**  cis-148-159.6-27-152.2-123.481.500108.8
230R31.2Very low36.5Very low224 Ų224148.5 Ų148.585%0.84579%0.793SS**  trans-159.1111.4-178.3-164.7-175.3-161.81757115.1
231V37Very low36.1Very low140 Ų140150.8 Ų150.885%0.84879%0.792SS**  trans-107150176-179.30000113
232K35.7Very low35.8Very low179 Ų179152.8 Ų152.878%0.77879%0.793SS**  trans-110.4153.8-162-72.8174.5178172.20115
233L29.2Very low35.2Very low148 Ų148153.1 Ų153.178%0.77579%0.792SS**  trans19.9137.7146.7-68.999.3000121.2
234R34.6Very low34.9Very low248 Ų248154.8 Ų154.894%0.93679%0.791SS**  -151.6129.9129.4-131.6172.5-175.71751.2114
235N29.5Very low34.1Very low144 Ų144157.4 Ų157.477%0.7779%0.793SS**  trans-79.8162.6170.3-73.9-18.8000111.6
236S34.9Very low33.6Very low102 Ų102156.7 Ų156.771%0.71380%0.796SS**  151.4155.2102.2-160.20000115.1
237K36.6Very low33.4Very low178 Ų178156.5 Ų156.577%0.77480%0.795SS**  trans79.1141.1163.1-55.3-177.6-174.7170.60117
238K35.1Very low32.9Very low174 Ų174158.4 Ų158.476%0.75780%0.796SS**  cis-165.4148.3-7.1-123.3-173.1174.8-166.60111.3
239T31.9Very low32.5Very low111 Ų111157.7 Ų157.768%0.68179%0.791SS**  trans23.9149.1135.958.60000121.1
240S30.9Very low32Very low97 Ų97154.9 Ų154.968%0.67879%0.79SS**  cis169.4141.6-7.850.10000108.3
241H34.7Very low32.1Very low178 Ų178152.6 Ų152.682%0.82479%0.794SS**  trans-173.8130.5135.4-128.2-88.4000113.2
242E27.8Very low31.9Very low177 Ų177154.9 Ų154.983%0.82780%0.795SS**  trans-78.4165.6158.1-61.6162.797.400110.2
243T32.6Very low31.4Very low114 Ų114153.7 Ų153.770%0.69980%0.796SS**  trans-179.5106.1136.6-80.70000112.3
244L31.7Very low31.6Very low156 Ų156152.7 Ų152.782%0.81780%0.799SS**  trans51.1134.1133.9-69.8126.6000123.7
245M26.4Very low31.3Very low171 Ų171150.4 Ų150.484%0.84280%0.796SS**  trans-66.5149.3149.6-52.2170.6109.100111.3
246T29.5Very low31.4Very low138 Ų138147 Ų14785%0.84780%0.795SS**  172.5165128.430.20000112
247P34.2Very low31.3Very low117 Ų117150.2 Ų150.276%0.7680%0.804SS**  trans-113.4178.8-164.441.9-34.1000115.8
248R27Very low30.9Very low240 Ų240151.2 Ų151.291%0.90681%0.808SS**  trans88.7107144.9-155.3-170.5-156.8-170.96.6119.4
249S33.5Very low30.7Very low107 Ų107152.1 Ų152.175%0.74881%0.812SS**  trans-172.3110.1144.546.60000109.2
250S27.9Very low30.5Very low110 Ų110156.5 Ų156.577%0.76982%0.822SS**  67.497.973.772.90000115.1
251L32.6Very low30.5Very low176 Ų176159 Ų15992%0.92183%0.828SS**  trans-130.7148.2155.6-90.8170.1000109.5
252Q33.4Very low30.3Very low187 Ų187158 Ų15887%0.87482%0.824SS**  trans-95.5164.2-156.2-73.6153.9-7400115.4
253L26.1Very low30.2Very low154 Ų154162.3 Ų162.381%0.80683%0.832SS**  trans-61.7165.2174.6-67.3131.1000113.4
254P32.6Very low30.1Very low128 Ų128161 Ų16183%0.83183%0.827SS**  -126.7175.710636.2-30.7000115.1
255K28.3Very low30Very low200 Ų200157.6 Ų157.687%0.8782%0.817SS**  trans-101.8158.1-162.9-59.9166.5178171.30113.3
256G30.9Very low30.2Very low73 Ų73156.1 Ų156.175%0.75381%0.81SS**  trans109.7143.4166.300000113.3
257N32.9Very low30.3Very low169 Ų169153.8 Ų153.890%0.90480%0.799SS**  cis-149.9165.73.2-121-24.1000111.9
258K28Very low30.3Very low198 Ų198152.5 Ų152.586%0.86179%0.793SS**  trans-68.9136-173.2-60.1165.8179.1171.30114.1
259K32.1Very low30.6Very low193 Ų193146.9 Ų146.984%0.83978%0.78SS**  trans-158.4103.6145.4-96.5171.5-175.6-178.40106.1
260K26.8Very low30.6Very low204 Ų204146.9 Ų146.989%0.88777%0.766SS**  37.397.487.5-92.4-166.6175.8-175.30112.1
261D31.8Very low30.5Very low149 Ų149146.4 Ų146.480%0.79776%0.763SS**  trans-145.7148.6154.7-96.9-44.7000113.4
262Q29.4Very low30.4Very low158 Ų158143.5 Ų143.574%0.73876%0.756SS**  trans-81.3125.4-150.9-56169.224.400113.2S264Q262-S264 VanDerWaalsContact C-N 3.28Å; Q262-S264 PolarHBondContact O-N 3.11Å
263R26.6Very low30.2Very low266 Ų266142.8 Ų142.8100%1.00475%0.752SS**  trans-79.880.6150.2-84.5-177.3167.3-179.7-4.4108.5
264S29.9Very low30.2Very low86 Ų86141.9 Ų141.960%0.60175%0.754SS**  trans-100.4126.6168.7-72.70000109.6Q262Q262-S264 VanDerWaalsContact C-N 3.28Å; Q262-S264 PolarHBondContact O-N 3.11Å
265S29.9Very low30.1Very low86 Ų86140.6 Ų140.660%0.60175%0.747SS**  trans-66.3129.3-177.5-171.30000111.6S267S265-S267 WeakPolarHBondContact CB-OG 3.4Å; S265-S267 PolarHBondContact O-N 3.4Å; S265-S267 WeakPolarHBondContact OG-CB 3.46Å; S265-S267 PolarHBondContact OG-N 2.92Å; S265-S267 PolarHBondContact OG-OG 2.65Å
266M30.4Very low30Very low140 Ų140138.7 Ų138.769%0.6975%0.747SS**G310 helixtrans-76.56.8172.4-72.1-148.5-62.900113.8S268M266-S268 PolarHBondContact O-N 2.95Å; M266-S268 VanDerWaalsContact O-N 3.16Å
267S32.7Very low30Very low88 Ų88143.4 Ų143.462%0.61575%0.753SS**G310 helixtrans-63.8-14.6176.454.70000114.3S265S265-S267 WeakPolarHBondContact CB-OG 3.4Å; S265-S267 PolarHBondContact O-N 3.4Å; S265-S267 WeakPolarHBondContact OG-CB 3.46Å; S265-S267 PolarHBondContact OG-N 2.92Å; S265-S267 PolarHBondContact OG-OG 2.65Å
268S33.7Very low29.8Very low91 Ų91143.2 Ų143.264%0.63675%0.746SS**G310 helixtrans-90.5-6.6-171.5-39.50000115.3M266M266-S268 PolarHBondContact O-N 2.95Å; M266-S268 VanDerWaalsContact O-N 3.16Å
269I33.7Very low29.7Very low122 Ų122142 Ų14263%0.62674%0.744SS**THydrogen-bonded Turntrans-87.9-15.1-169.3-64.4176000112.7
270F33.1Very low29.6Very low106 Ų106140.9 Ų140.947%0.46575%0.745SS.*THydrogen-bonded Turntrans-103.627.2-175.4-66.9-72.1000114.5V62 F86V62-F270 HydrophobicContact CG2-CE2 4.42Å; V62-F270 HydrophobicContact CG2-CZ 4.35Å; F86-F270 HydrophobicContact CE1-CE1 4.16Å; F86-F270 HydrophobicContact CZ-CD1 4.04Å; F86-F270 AromaticContact CZ-CE1 3.82Å; F86-F270 HydrophobicContact CZ-CE1 3.82Å
271S26.4Very low29.6Very low100 Ų100138.5 Ų138.570%0.69974%0.742SS**  trans-124.799179.3-60.20000111.9
272C29.2Very low29.6Very low116 Ų116137 Ų13778%0.78474%0.743SS**  trans-146.3105.4167.9-159.20000113.5
273H30Very low29.5Very low171 Ų171136.8 Ų136.879%0.79275%0.747SS**  trans36.1105.4142.7-6875.9000120.1
274T25.9Very low29.8Very low136 Ų136131.3 Ų131.383%0.83474%0.738SS**  trans-80.7119.4154.551.10000110.7
275S30.8Very low29.7Very low100 Ų100136.2 Ų136.270%0.69975%0.751SS**  trans-138.4110.9173.1-68.30000111.8
276N26.1Very low29.8Very low161 Ų161138.9 Ų138.986%0.86176%0.758SS**  trans25.1108156.7-63.5-22000120.1
277I30.4Very low29.6Very low171 Ų171139 Ų13988%0.87776%0.761SS**  trans-135.9133.2135.6-65.1-170.8000109
278H29.2Very low29.5Very low166 Ų166142.6 Ų142.677%0.76977%0.766SS**  trans-86.4149.2178.7-100.8-70.5000112.7
279Q25.8Very low29.1Very low172 Ų172143 Ų14380%0.80477%0.767SS**  trans49.3119.6150.7-71.2178.5-26.500119.7
280I29.9Very low28.8Very low169 Ų169144.1 Ų144.187%0.86777%0.774SS**  -160.1142.5110.7-94.8148.8000108.9
281N25.8Very low28.5Very low154 Ų154147.3 Ų147.382%0.82479%0.792SS**  trans-70.5137.1-176.5-78.5-29.1000113.4
282S32.9Very low28.5Very low117 Ų117150.4 Ų150.482%0.81880%0.799SS**  trans-163.4139.5131.29.90000110.8N284S282-N284 PolarHBondContact O-N 2.96Å
283N28Very low28.3Very low155 Ų155149.8 Ų149.883%0.82980%0.796SS**  trans-68.6117.2-168.1-60.5-33.7000112.8
284N31.6Very low28Very low151 Ų151146.6 Ų146.681%0.80779%0.793SS**  trans-158.5126.3148.7-96.4-35000109.8S282 N286S282-N284 PolarHBondContact O-N 2.96Å; N284-N286 VanDerWaalsContact C-N 3.34Å; N284-N286 PolarHBondContact O-N 2.88Å
285H28.9Very low28.2Very low188 Ų188147.1 Ų147.187%0.8780%0.796SS**  trans-75.478.4-175.7-92.8-89.9000112.3L287H285-L287 PolarHBondContact O-N 3.48Å
286N30.7Very low28.1Very low142 Ų142148.9 Ų148.976%0.75980%0.798SS**  trans-80.589.9164.2-77.5-16.1000109.7N284 F288N284-N286 VanDerWaalsContact C-N 3.34Å; N284-N286 PolarHBondContact O-N 2.88Å; N286-F288 PolarHBondContact O-N 3.5Å
287L26.9Very low28.1Very low143 Ų143151 Ų15175%0.74980%0.802SS**  trans-63.1126.4166.1-83.3158000109.7H285H285-L287 PolarHBondContact O-N 3.48Å
288F29.9Very low28.1Very low164 Ų164147.6 Ų147.672%0.71979%0.793SS**  trans112.557.4169.3-57.3-59.5000119.1N286N286-F288 PolarHBondContact O-N 3.5Å
289P25.2Very low28.2Very low100 Ų100146.5 Ų146.565%0.64979%0.789SS**SBendtrans-94.3144.3133.833.1-26.7000110.3
290N27.2Very low28.4Very low145 Ų145146.2 Ų146.278%0.77579%0.785SS**  trans74.988.7174.9-48.4-34.1000117.5
291M27.7Very low28.5Very low172 Ų172145.1 Ų145.185%0.84778%0.781SS**  trans-126.554.2155.1-90.9-90.7-85.700110.2
292I25.2Very low28.8Very low165 Ų165146.6 Ų146.685%0.84678%0.78SS**  trans-133.180.5163.5-55.1179.1000108.2
293S25.7Very low28.6Very low104 Ų104150.1 Ų150.173%0.72778%0.777SS**SBendtrans-179135.9152.644.60000112
294S24.9Very low28.8Very low103 Ų103146.9 Ų146.972%0.7276%0.763SS**  trans40.295.5151.959.30000120
295V30Very low28.7Very low148 Ų148150.8 Ų150.890%0.89777%0.766SS**  trans-13284.4141.3-172.70000110.6
296N27.3Very low28.6Very low137 Ų137153 Ų15373%0.73377%0.767SS**  trans22.5104.2157.1-66.6-15.4000120.6S298N296-S298 VanDerWaalsContact C-N 3.34Å; N296-S298 PolarHBondContact O-N 3.2Å
297E27Very low28.6Very low204 Ų204157.5 Ų157.595%0.95377%0.773SS**THydrogen-bonded Turntrans-65.274.5162.4-162.8171.6-15400112.4
298S30.3Very low28.7Very low100 Ų100156.4 Ų156.470%0.69978%0.775SS**THydrogen-bonded Turntrans-147-12175.6650000117.8N296N296-S298 VanDerWaalsContact C-N 3.34Å; N296-S298 PolarHBondContact O-N 3.2Å
299Q31.1Very low28.8Very low143 Ų143151.6 Ų151.667%0.66876%0.761SS**SBendtrans-106.6-10.7178-76.6-80.1-400114.4N301Q299-N301 PolarHBondContact O-N 3.46Å
300F30.7Very low29.3Very low166 Ų166155 Ų15573%0.72877%0.769SS**G310 helixtrans-72.7-27.2-170.2-160.5-109.2000114.4K302 T304F300-K302 VanDerWaalsContact C-N 3.31Å; F300-K302 PolarHBondContact O-N 2.89Å; F300-T304 HydrophobicContact CD1-CG2 4.49Å; F300-T304 HydrophobicContact CE1-CG2 4.22Å
301N31.3Very low29.6Very low146 Ų146152.8 Ų152.878%0.78176%0.757SS**G310 helixtrans-81.24.1-174.6-81.4-29.9000115.8Q299Q299-N301 PolarHBondContact O-N 3.46Å
302K32.9Very low30.1Very low185 Ų185147.8 Ų147.880%0.80474%0.739SS**G310 helixtrans-103.7-16.3178.8-139.8171.6-173.9176.80114.5F300F300-K302 VanDerWaalsContact C-N 3.31Å; F300-K302 PolarHBondContact O-N 2.89Å
303Y27.8Very low30.5Very low192 Ų192145.4 Ų145.475%0.75373%0.727SS**THydrogen-bonded Turntrans-101.9-8.5-178.4-76.3-81.2000114.7
304T32.2Very low31Very low87 Ų87145 Ų14553%0.53472%0.716SS.*THydrogen-bonded Turntrans-87.20.8-175470000115.3F300F300-T304 HydrophobicContact CD1-CG2 4.49Å; F300-T304 HydrophobicContact CE1-CG2 4.22Å
305R29.3Very low31.5Very low232 Ų232143.2 Ų143.288%0.87570%0.699SS**THydrogen-bonded Turntrans-108.5-1.8-177-76-166.8-175.6-178.83.8117
306R27.8Very low31.7Very low235 Ų235141.5 Ų141.589%0.88769%0.685SS**  trans-14988.6177-67.5-169.1-179.7-165.9-0.1113.4
307R30.2Very low32Very low236 Ų236138.7 Ų138.789%0.89167%0.669SS**  trans-137.2127.4153.3-80.8-161.1-177.6-158.22.9110.4
308P28.5Very low32.5Very low121 Ų121136 Ų13679%0.78665%0.654SS**  trans-69.8144.7176.3-17.932000113.2
309S31.8Very low32.8Very low62 Ų62137.7 Ų137.743%0.43466%0.655SS.*  trans10.9105.316350.50000119D311 S312S309-D311 VanDerWaalsContact CB-OD2 3.3Å; S309-D311 WeakPolarHBondContact CB-OD2 3.36Å; S309-D311 PolarHBondContact O-N 2.87Å; S309-S312 PolarHBondContact O-N 2.99Å; S309-S312 PolarHBondContact O-OG 2.91Å
310Q36.1Very low33.1Very low173 Ų173133.8 Ų133.881%0.80864%0.639SS**THydrogen-bonded Turntrans-59.5-19.1156.9-74.9-175.4-63.700112.2S312 L313 L314Q310-S312 PolarHBondContact O-N 3.19Å; Q310-L313 PolarHBondContact O-N 3.22Å; Q310-L314 PolarHBondContact O-N 3.36Å; Q310-L314 VanDerWaalsContact O-N 3.16Å
311D33.2Very low33.2Very low98 Ų98130 Ų13052%0.52463%0.631SS.*Hα-helixtrans-55.2-33.9173.6-44.5-72000111.9S309 L313 L314 D315S309-D311 VanDerWaalsContact CB-OD2 3.3Å; S309-D311 WeakPolarHBondContact CB-OD2 3.36Å; S309-D311 PolarHBondContact O-N 2.87Å; D311-L313 VanDerWaalsContact C-N 3.27Å; D311-L313 PolarHBondContact O-N 3.19Å; D311-L314 CarbonylContact O-C 3.57Å; D311-L314 PolarHBondContact O-N 2.72Å; D311-D315 VanDerWaalsContact O-CB 3.26Å; D311-D315 WeakPolarHBondContact O-CB 3.35Å; D311-D315 PolarHBondContact O-N 3.24Å
312S38.1Very low33.3Very low66 Ų66125.3 Ų125.346%0.46261%0.61SS.*Hα-helixtrans-63.9-28.7177.864.60000113.9S309 Q310 N316S309-S312 PolarHBondContact O-N 2.99Å; S309-S312 PolarHBondContact O-OG 2.91Å; Q310-S312 PolarHBondContact O-N 3.19Å; S312-N316 PolarHBondContact O-N 3.29Å; S312-N316 PolarHBondContact O-ND2 3.19Å
313L35.1Very low33.5Very low116 Ų116122.9 Ų122.961%0.60760%0.599SS**Hα-helixtrans-85.7-39.3177.2-145.3164.5000110.1Q310 D311 D315 N316 L317Q310-L313 PolarHBondContact O-N 3.22Å; D311-L313 VanDerWaalsContact C-N 3.27Å; D311-L313 PolarHBondContact O-N 3.19Å; L313-D315 VanDerWaalsContact C-N 3.31Å; L313-D315 PolarHBondContact O-N 3.35Å; L313-N316 PolarHBondContact O-N 2.9Å; L313-L317 HydrophobicContact CD2-CD1 3.93Å; L313-L317 HydrophobicContact CD2-CG 4.21Å; L313-L317 WeakPolarHBondContact O-CB 3.44Å; L313-L317 VanDerWaalsContact O-CG 3.26Å; L313-L317 WeakPolarHBondContact O-CG 3.16Å; L313-L317 PolarHBondContact O-N 3.21Å
314L36.3Very low33.9Very low94 Ų94118 Ų11849%0.49259%0.585SS.*Hα-helixtrans-62.9-34170.8-78.9161.5000113Q310 D311 L317 K318Q310-L314 PolarHBondContact O-N 3.36Å; Q310-L314 VanDerWaalsContact O-N 3.16Å; D311-L314 CarbonylContact O-C 3.57Å; D311-L314 PolarHBondContact O-N 2.72Å; L314-L317 HydrophobicContact CD2-CD1 4.34Å; L314-L317 WeakPolarHBondContact O-CB 3.38Å; L314-L317 PolarHBondContact O-N 3.09Å; L314-K318 VanDerWaalsContact O-CG 3.32Å; L314-K318 WeakPolarHBondContact O-CG 3.17Å; L314-K318 PolarHBondContact O-N 2.66Å
315D35.6Very low34.1Very low66 Ų66117.5 Ų117.535%0.35358%0.576SS.*Hα-helixtrans-77.3-32.8175.9-70.3-21.8000111.7D311 L313 L317 K318 N319D311-D315 VanDerWaalsContact O-CB 3.26Å; D311-D315 WeakPolarHBondContact O-CB 3.35Å; D311-D315 PolarHBondContact O-N 3.24Å; L313-D315 VanDerWaalsContact C-N 3.31Å; L313-D315 PolarHBondContact O-N 3.35Å; D315-L317 VanDerWaalsContact C-N 3.32Å; D315-K318 PolarHBondContact O-N 2.88Å; D315-K318 WeakPolarHBondContact OD1-CD 2.97Å; D315-K318 WeakPolarHBondContact OD1-CE 3.48Å; D315-K318 IonicContact OD1-NZ 2.69Å; D315-K318 PolarHBondContact OD1-NZ 2.92Å; D315-N319 VanDerWaalsContact O-CB 3.27Å; D315-N319 WeakPolarHBondContact O-CB 3.47Å; D315-N319 PolarHBondContact O-N 2.78Å; D315-N319 PolarHBondContact O-ND2 2.84Å
316N34.1Very low34.3Very low113 Ų113110.9 Ų110.960%0.60456%0.555SS**Hα-helixtrans-64.7-36166.2-88.2-72.8000112.2S312 L313 N319 N320S312-N316 PolarHBondContact O-N 3.29Å; S312-N316 PolarHBondContact O-ND2 3.19Å; L313-N316 PolarHBondContact O-N 2.9Å; N316-N319 PolarHBondContact O-N 3.49Å; N316-N320 PolarHBondContact O-N 3.25Å; N316-N320 VanDerWaalsContact O-N 3.11Å
317L33.4Very low34.7Very low78 Ų78106.6 Ų106.641%0.40855%0.545SS..Hα-helixtrans-67-41.6174.3-74.1164000112.3L313 L314 D315 N319 I324L313-L317 HydrophobicContact CD2-CD1 3.93Å; L313-L317 HydrophobicContact CD2-CG 4.21Å; L313-L317 WeakPolarHBondContact O-CB 3.44Å; L313-L317 VanDerWaalsContact O-CG 3.26Å; L313-L317 WeakPolarHBondContact O-CG 3.16Å; L313-L317 PolarHBondContact O-N 3.21Å; L314-L317 HydrophobicContact CD2-CD1 4.34Å; L314-L317 WeakPolarHBondContact O-CB 3.38Å; L314-L317 PolarHBondContact O-N 3.09Å; D315-L317 VanDerWaalsContact C-N 3.32Å; L317-N319 VanDerWaalsContact C-N 3.33Å; L317-N319 PolarHBondContact O-N 3.46Å; L317-I324 HydrophobicContact CD2-CD1 3.26Å
318K36Very low35.1Very low148 Ų14897.6 Ų97.664%0.64352%0.518SS*.Hα-helixtrans-62.2-38.9172.5-70.8168.3-161.7160.60112.1L314 D315L314-K318 VanDerWaalsContact O-CG 3.32Å; L314-K318 WeakPolarHBondContact O-CG 3.17Å; L314-K318 PolarHBondContact O-N 2.66Å; D315-K318 PolarHBondContact O-N 2.88Å; D315-K318 WeakPolarHBondContact OD1-CD 2.97Å; D315-K318 WeakPolarHBondContact OD1-CE 3.48Å; D315-K318 IonicContact OD1-NZ 2.69Å; D315-K318 PolarHBondContact OD1-NZ 2.92Å
319N37.1Very low35.6Very low134 Ų13493.4 Ų93.472%0.71749%0.489SS*.Hα-helixtrans-86.7-13.6-172-71.4-32.2000114.9D315 N316 L317D315-N319 VanDerWaalsContact O-CB 3.27Å; D315-N319 WeakPolarHBondContact O-CB 3.47Å; D315-N319 PolarHBondContact O-N 2.78Å; D315-N319 PolarHBondContact O-ND2 2.84Å; N316-N319 PolarHBondContact O-N 3.49Å; L317-N319 VanDerWaalsContact C-N 3.33Å; L317-N319 PolarHBondContact O-N 3.46Å
320N38.3Very low35.8Very low62 Ų6296.1 Ų96.133%0.33250%0.498SS..  trans-148.962.1-177.3-150.6-37.4000115.6N316 S322 K323N316-N320 PolarHBondContact O-N 3.25Å; N316-N320 VanDerWaalsContact O-N 3.11Å; N320-S322 PolarHBondContact O-N 2.85Å; N320-S322 VanDerWaalsContact O-N 3.12Å; N320-S322 PolarHBondContact OD1-OG 3.19Å; N320-K323 PolarHBondContact O-N 3.42Å
321P32.6Very low36Very low86 Ų8690.7 Ų90.756%0.55848%0.479SS*.Hα-helixtrans-60.4-23.2178.525.1-35.1000113.9K323P321-K323 PolarHBondContact O-N 3.39Å
322S33.6Very low36.3Very low47 Ų4787.2 Ų87.233%0.32946%0.461SS..Hα-helixtrans-62.4-32.9178.726.40000114.7N320 Q326N320-S322 PolarHBondContact O-N 2.85Å; N320-S322 VanDerWaalsContact O-N 3.12Å; N320-S322 PolarHBondContact OD1-OG 3.19Å; S322-Q326 PolarHBondContact O-N 3.12Å
323K35.7Very low36.2Very low135 Ų13585.3 Ų85.359%0.58745%0.447SS*.Hα-helixtrans-70.8-37.2-174.6-84.1-174.6173.9-172.70113.5N320 P321 Q327N320-K323 PolarHBondContact O-N 3.42Å; P321-K323 PolarHBondContact O-N 3.39Å; K323-Q327 WeakPolarHBondContact O-CB 3.33Å; K323-Q327 PolarHBondContact O-N 2.81Å
324I37.9Very low36.5Very low90 Ų9084.5 Ų84.546%0.46245%0.447SS..Hα-helixtrans-73.8-35.4-179.6-67.6176.8000111.2L317 Q327 S328L317-I324 HydrophobicContact CD2-CD1 3.26Å; I324-Q327 PolarHBondContact O-N 3.48Å; I324-S328 VanDerWaalsContact O-CB 3.28Å; I324-S328 WeakPolarHBondContact O-CB 3.41Å; I324-S328 PolarHBondContact O-N 2.89Å
325F35.6Very low36.8Very low75 Ų7582.8 Ų82.833%0.32944%0.439SS..Hα-helixtrans-64.9-41.5175.5-156.6-102.7000111.5L139 F163 L329L139-F325 HydrophobicContact CD1-CE2 4.46Å; L139-F325 HydrophobicContact CD1-CZ 3.92Å; F163-F325 AromaticContact CE1-CD1 3.73Å; F163-F325 HydrophobicContact CE1-CD1 3.73Å; F163-F325 AromaticContact CE1-CE1 3.73Å; F163-F325 HydrophobicContact CE1-CE1 3.73Å; F163-F325 HydrophobicContact CE2-CD1 4.41Å; F163-F325 AromaticContact CE2-CE1 3.88Å; F163-F325 HydrophobicContact CE2-CE1 3.88Å; F163-F325 AromaticContact CZ-CD1 3.45Å; F163-F325 HydrophobicContact CZ-CD1 3.45Å; F163-F325 VanDerWaalsContact CZ-CD1 3.45Å; F163-F325 AromaticContact CZ-CE1 3.32Å; F163-F325 HydrophobicContact CZ-CE1 3.32Å; F325-L329 HydrophobicContact CD1-CD1 3.63Å; F325-L329 HydrophobicContact CD1-CG 4.22Å; F325-L329 HydrophobicContact CE1-CD1 3.5Å; F325-L329 VanDerWaalsContact CE1-CD1 3.5Å; F325-L329 HydrophobicContact CE1-CG 4.13Å; F325-L329 HydrophobicContact CZ-CD1 4.41Å; F325-L329 WeakPolarHBondContact O-CB 3.33Å; F325-L329 WeakPolarHBondContact O-CG 3.48Å; F325-L329 PolarHBondContact O-N 3.11Å
326Q32.8Very low37.3Very low93 Ų9380.8 Ų80.844%0.43543%0.428SS..Hα-helixtrans-63.5-45.3172.8-74.3-177.4-19.600112.4S322 S328 L329 L330S322-Q326 PolarHBondContact O-N 3.12Å; Q326-S328 PolarHBondContact O-N 3.49Å; Q326-L329 PolarHBondContact O-N 2.58Å; Q326-L330 WeakPolarHBondContact O-CB 3.45Å; Q326-L330 VanDerWaalsContact O-CG 3.25Å; Q326-L330 WeakPolarHBondContact O-CG 3.47Å; Q326-L330 PolarHBondContact O-N 3.44Å
327Q36.4Very low37.4Very low145 Ų14579 Ų7968%0.67842%0.418SS*.Hα-helixtrans-68.6-35.6-177.9-159.6159.121.600112.4K323 I324 S331K323-Q327 WeakPolarHBondContact O-CB 3.33Å; K323-Q327 PolarHBondContact O-N 2.81Å; I324-Q327 PolarHBondContact O-N 3.48Å; Q327-S331 PolarHBondContact O-N 3.08Å; Q327-S331 VanDerWaalsContact O-N 3.15Å
328S39Very low37.6Very low48 Ų4882.2 Ų82.234%0.33643%0.431SS..Hα-helixtrans-67.5-48.1172.4-167.10000111.6I324 Q326 L330 S331 L332I324-S328 VanDerWaalsContact O-CB 3.28Å; I324-S328 WeakPolarHBondContact O-CB 3.41Å; I324-S328 PolarHBondContact O-N 2.89Å; Q326-S328 PolarHBondContact O-N 3.49Å; S328-L330 VanDerWaalsContact C-N 3.32Å; S328-L330 PolarHBondContact O-N 3.18Å; S328-S331 PolarHBondContact O-N 3.43Å; S328-S331 VanDerWaalsContact O-N 3.11Å; S328-S331 PolarHBondContact O-OG 3.36Å; S328-L332 VanDerWaalsContact O-CD1 3.25Å; S328-L332 WeakPolarHBondContact O-CD1 3.48Å; S328-L332 PolarHBondContact O-N 2.89Å
329L39Very low37.6Very low33 Ų3384.2 Ų84.217%0.17344%0.439CS..Hα-helixtrans-61.2-36.8176.2-78177.8000113.5L131 F163 F325 Q326 L332 S333L131-L329 HydrophobicContact CD2-CD2 4.08Å; F163-L329 HydrophobicContact CD1-CD1 3.93Å; F163-L329 HydrophobicContact CE1-CD1 3.75Å; F325-L329 HydrophobicContact CD1-CD1 3.63Å; F325-L329 HydrophobicContact CD1-CG 4.22Å; F325-L329 HydrophobicContact CE1-CD1 3.5Å; F325-L329 VanDerWaalsContact CE1-CD1 3.5Å; F325-L329 HydrophobicContact CE1-CG 4.13Å; F325-L329 HydrophobicContact CZ-CD1 4.41Å; F325-L329 WeakPolarHBondContact O-CB 3.33Å; F325-L329 WeakPolarHBondContact O-CG 3.48Å; F325-L329 PolarHBondContact O-N 3.11Å; Q326-L329 PolarHBondContact O-N 2.58Å; L329-L332 PolarHBondContact O-N 3.31Å; L329-S333 PolarHBondContact O-N 2.95Å; L329-S333 PolarHBondContact O-OG 2.97Å
330L36.7Very low37.5Very low118 Ų11883.1 Ų83.162%0.61844%0.438SS*.Hα-helixtrans-64.4-40.6174.2-74.9166.2000111.4Q326 S328 L332 S333 T334Q326-L330 WeakPolarHBondContact O-CB 3.45Å; Q326-L330 VanDerWaalsContact O-CG 3.25Å; Q326-L330 WeakPolarHBondContact O-CG 3.47Å; Q326-L330 PolarHBondContact O-N 3.44Å; S328-L330 VanDerWaalsContact C-N 3.32Å; S328-L330 PolarHBondContact O-N 3.18Å; L330-L332 VanDerWaalsContact C-N 3.34Å; L330-L332 PolarHBondContact O-N 3.31Å; L330-S333 PolarHBondContact O-N 3.29Å; L330-T334 PolarHBondContact O-N 3.41Å; L330-T334 PolarHBondContact O-OG1 3.13Å
331S38.6Very low37.2Very low60 Ų6087.1 Ų87.142%0.4246%0.459SS..Hα-helixtrans-66.2-32.1172.8660000113.7Q327 S328 T334Q327-S331 PolarHBondContact O-N 3.08Å; Q327-S331 VanDerWaalsContact O-N 3.15Å; S328-S331 PolarHBondContact O-N 3.43Å; S328-S331 VanDerWaalsContact O-N 3.11Å; S328-S331 PolarHBondContact O-OG 3.36Å; S331-T334 WeakPolarHBondContact CA-OG1 3.15Å; S331-T334 PolarHBondContact O-OG1 3.29Å
332L39.8Very low37.2Very low25 Ų2591 Ų9113%0.13148%0.475CS..Hα-helixtrans-67.6-39.1172.4-92.972000111.3A127 S328 L329 L330 N335A127-L332 HydrophobicContact CB-CB 4.26Å; A127-L332 HydrophobicContact CB-CD2 3.86Å; A127-L332 HydrophobicContact CB-CG 3.93Å; S328-L332 VanDerWaalsContact O-CD1 3.25Å; S328-L332 WeakPolarHBondContact O-CD1 3.48Å; S328-L332 PolarHBondContact O-N 2.89Å; L329-L332 PolarHBondContact O-N 3.31Å; L330-L332 VanDerWaalsContact C-N 3.34Å; L330-L332 PolarHBondContact O-N 3.31Å; L332-N335 PolarHBondContact O-N 2.66Å
333S37.3Very low37.2Very low26 Ų2695.5 Ų95.518%0.18250%0.501CS..Hα-helixtrans-73.7-28.8-179.4-54.40000112.9E171 L329 L330 N335 I336E171-S333 WeakPolarHBondContact OE1-CB 3.31Å; E171-S333 PolarHBondContact OE1-OG 3.16Å; L329-S333 PolarHBondContact O-N 2.95Å; L329-S333 PolarHBondContact O-OG 2.97Å; L330-S333 PolarHBondContact O-N 3.29Å; S333-N335 PolarHBondContact O-N 3.18Å; S333-I336 WeakPolarHBondContact O-CB 3.41Å; S333-I336 PolarHBondContact O-N 2.91Å
334T40.3Very low37.1Very low98 Ų9898.9 Ų98.960%0.60152%0.515SS*.Hα-helixtrans-66-23.9174.242.90000114L330 S331 I336L330-T334 PolarHBondContact O-N 3.41Å; L330-T334 PolarHBondContact O-OG1 3.13Å; S331-T334 WeakPolarHBondContact CA-OG1 3.15Å; S331-T334 PolarHBondContact O-OG1 3.29Å; T334-I336 PolarHBondContact O-N 3.03Å
335N43.8Very low36.7Very low59 Ų59104 Ų10432%0.31654%0.535SS..THydrogen-bonded Turntrans-80.44.5176.8-88.6-36.7000114.3V31 D34 L332 S333V31-N335 VanDerWaalsContact CB-OD1 3.3Å; V31-N335 WeakPolarHBondContact CB-OD1 3.3Å; V31-N335 WeakPolarHBondContact CG1-OD1 3.35Å; D34-N335 PolarHBondContact OD2-ND2 3.27Å; L332-N335 PolarHBondContact O-N 2.66Å; S333-N335 PolarHBondContact O-N 3.18Å
336I45.8Very low36.6Very low24 Ų24106.3 Ų106.312%0.12356%0.557CS.*THydrogen-bonded Turntrans-99.5-19-176.1-67.4-179.5000112.5Y174 S333 T334Y174-I336 HydrophobicContact CD1-CG2 3.8Å; Y174-I336 HydrophobicContact CD2-CG2 3.08Å; Y174-I336 HydrophobicContact CE1-CG2 4.01Å; Y174-I336 VanDerWaalsContact CE1-O 3.31Å; Y174-I336 WeakPolarHBondContact CE1-O 3.39Å; Y174-I336 HydrophobicContact CE2-CG2 3.36Å; Y174-I336 HydrophobicContact CG-CG2 3.32Å; Y174-I336 PolarHBondContact OH-O 3.09Å; S333-I336 WeakPolarHBondContact O-CB 3.41Å; S333-I336 PolarHBondContact O-N 2.91Å; T334-I336 PolarHBondContact O-N 3.03Å
337N36.5Very low36.5Very low76 Ų76106.1 Ų106.141%0.40657%0.565SS.*SBendtrans-78139.3-179.6-73.7-50.9000113.1Q170Q170-N337 PolarHBondContact NE2-OD1 3.3Å
338H36.7Very low36.4Very low145 Ų145106.5 Ų106.567%0.67157%0.572SS**  trans71.683.3179.7-68.2-81000118.1M1M1-H338 HydrophobicContact SD-CB 3.8Å
339K36.7Very low36Very low190 Ų190112.1 Ų112.183%0.82660%0.598SS**SBendtrans-140.827.9150.5-146.4-179.8-175.7178.50114.6
340T34.4Very low35.8Very low111 Ų111118.1 Ų118.168%0.68163%0.629SS**SBendtrans-153.886.6175.647.80000110.1
341N32.7Very low35.5Very low146 Ų146118 Ų11878%0.78163%0.634SS**SBendtrans169.580.3157.4-89.9-12.6000107.4
342D32.8Very low35.2Very low166 Ų166120.6 Ų120.689%0.88865%0.647SS**  trans177.466.4154.3-93.5-24.6000111.4
343T33.1Very low34.9Very low142 Ų142125 Ų12587%0.87168%0.675SS**  trans-143.767.4168.343.40000111.5
344K33.4Very low34.6Very low206 Ų206129.6 Ų129.690%0.89670%0.702SS**  trans-158.788.1161.3-111.8170.1-170.6-1770112.5
345K29.5Very low34.2Very low199 Ų199130.4 Ų130.487%0.86571%0.707SS**  trans-78.1148144.6-127176.8-178.51770106.5
346P32.7Very low33.6Very low123 Ų123133 Ų13380%0.79973%0.725SS**  -141-173.176.336.8-18.3000115
347S32.3Very low32.9Very low88 Ų88137.5 Ų137.562%0.61575%0.754SS**  trans-84.1153.5-161.948.10000117.4
348N34Very low32.7Very low153 Ų153140 Ų14082%0.81877%0.772SS**  trans68.7122.5143.1-58.6-2.1000120.1
349N30.5Very low32.3Very low166 Ų166140 Ų14089%0.88878%0.776SS**  trans-143.4109.9159.1-99.5-18.7000109.4
350I35.3Very low32.2Very low160 Ų160139.1 Ų139.182%0.82177%0.774SS**  trans-140.8100.9161.3-68.2-168.9000109
351T30.4Very low31.8Very low116 Ų116141.4 Ų141.471%0.71278%0.777SS**  trans81.4143.7136.2-510000122
352T32.3Very low31.8Very low114 Ų114140.9 Ų140.970%0.69978%0.779SS**  trans91.295.3155.223.50000122.1
353T32.6Very low31.6Very low116 Ų116137.4 Ų137.471%0.71277%0.768SS**  82.7116.2119.841.20000123.7
354T31.2Very low31.4Very low124 Ų124138.7 Ų138.776%0.76176%0.761SS**  trans64.6143.7140.91.30000118.1
355T31.8Very low31.2Very low114 Ų114136.4 Ų136.470%0.69975%0.754SS**  cis-159.9138.616.7-24.50000111
356T31.2Very low31.4Very low113 Ų113131 Ų13169%0.69374%0.741SS**  trans68108.3132.5-650000123
357T30.2Very low31.6Very low119 Ų119131.2 Ų131.273%0.7374%0.736SS**  69.8139.7128.4-38.90000117.3
358T32.5Very low31.7Very low128 Ų128136.4 Ų136.479%0.78574%0.743SS**  cis-151.2163.228.1-31.10000112.2
359I28.4Very low32.2Very low146 Ų146135 Ų13575%0.74974%0.74SS**  trans-78.5139.8173.1-63152.7000110.8
360H34.4Very low33.2Very low171 Ų171136.1 Ų136.179%0.79276%0.761SS**  -168133.5125.4-112-79.4000115.2
361E26.6Very low33.1Very low159 Ų159135 Ų13574%0.74376%0.758SS**  trans-43.1152.6160.5-175.2176.8-139.300116
362V32.1Very low33.2Very low135 Ų135135.9 Ų135.982%0.81876%0.761SS**  166.9157.6126.51600000111.2
363S28.6Very low33.3Very low94 Ų94137.2 Ų137.266%0.65776%0.764SS**  trans-95.5169.2-158.554.10000117.9
364F29Very low33.3Very low168 Ų168138.4 Ų138.474%0.73777%0.767SS**  trans87.1129139.1-120.3-124000120.2
365Q30.4Very low33.5Very low158 Ų158139.3 Ų139.374%0.73877%0.768SS**  trans51.4147.5144.5-77.1-178.3-1500119.8
366S32.1Very low33.6Very low86 Ų86141 Ų14160%0.60177%0.772SS**  cis-160.5-175.63.136.40000110.2
367D37.2Very low33.7Very low127 Ų127143 Ų14368%0.67978%0.778SS**  trans101.6106.4146.4-55-44000122.1
368Y34.7Very low34Very low198 Ų198144.8 Ų144.878%0.77678%0.782SS**  64.6113.5126.3-84.2-96.3000122.6
369T44.4Very low34.1Very low123 Ų123146.3 Ų146.376%0.75578%0.781SS**  trans66.2139.3139.753.70000119
370S51.6Low34.7Very low190 Ų190146.3 Ų146.3100%1.32978%0.784SS**  cis-131.1012.4-54.20000112.5

Retrieved 370 of 370 residues in 192.2 ms (Link to these results)

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