A0A087YFS1_POEFO Loading...

SEC22 homolog A, vesicle trafficking protein

May be involved in vesicle transport between the ER and the Golgi complex.

AlphaFold DB , UniProt , Accession A0A087YFS1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 303 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
1M69.5Low91.6Very high200 Ų20034.9 Ų34.999%0.98518%0.177SC*.  0143.60-156.4169.3-157.500108M3M1-M3 PolarHBondContact O-N 2.86Å
2S85Confident91.7Very high43 Ų4333.1 Ų33.130%0.30117%0.169SC..  trans-74.1113.6-179.9161.50000110.2T75 Y78 P79S2-T75 WeakPolarHBondContact CA-OG1 3.34Å; S2-Y78 WeakPolarHBondContact OG-CA 3.31Å; S2-Y78 WeakPolarHBondContact OG-CD2 2.87Å; S2-P79 WeakPolarHBondContact OG-CD 3.19Å
3M91.8Very high91.4Very high73 Ų7336.8 Ų36.836%0.3621%0.208SC..  trans-148.5151.9-177.458.3-173.4150.300114.3M1 L5 C74 T75 N127M1-M3 PolarHBondContact O-N 2.86Å; M3-L5 HydrophobicContact CE-CD2 4.11Å; M3-L5 HydrophobicContact CG-CD2 3.71Å; M3-L5 HydrophobicContact CG-CG 4.31Å; M3-L5 HydrophobicContact SD-CD2 3.86Å; M3-C74 CarbonylContact O-C 3.59Å; M3-C74 VanDerWaalsContact O-CA 3.25Å; M3-C74 WeakPolarHBondContact O-CA 3.24Å; M3-C74 VanDerWaalsContact O-CB 3.3Å; M3-C74 WeakPolarHBondContact O-CB 3.46Å; M3-T75 HydrophobicContact CE-CG2 4.29Å; M3-T75 HydrophobicContact CG-CG2 3.77Å; M3-T75 PolarHBondContact N-OG1 2.93Å; M3-T75 PolarHBondContact O-N 3.01Å; M3-N127 WeakPolarHBondContact CA-OD1 3.29Å
4V92.8Very high91.1Very high1 Ų139.4 Ų39.41%0.00622%0.221CC..EExtended strand (participates in β ladder)trans-76.8125.7162.5-175.50000108.3M72 Y78 F86 K123 N127V4-M72 HydrophobicContact CB-CE 4.45Å; V4-M72 HydrophobicContact CG1-CE 4.1Å; V4-M72 HydrophobicContact CG2-CE 3.74Å; V4-Y78 HydrophobicContact CG2-CE1 4Å; V4-Y78 HydrophobicContact CG2-CE2 3.81Å; V4-F86 HydrophobicContact CG1-CE1 4.27Å; V4-F86 HydrophobicContact CG1-CE2 4.41Å; V4-F86 HydrophobicContact CG1-CZ 4.13Å; V4-K123 HydrophobicContact CB-CG 4.19Å; V4-K123 HydrophobicContact CG1-CG 4.12Å; V4-K123 WeakPolarHBondContact O-CE 3.49Å; V4-N127 WeakPolarHBondContact CB-OD1 3.48Å; V4-N127 PolarHBondContact N-OD1 2.76Å; V4-N127 PolarHBondContact O-ND2 2.95Å
5L92.7Very high91.1Very high4 Ų437.3 Ų37.32%0.02121%0.212CC..EExtended strand (participates in β ladder)trans-105-38.1-173.7-63.7169.2000112M3 L30 Y58 V73 T75 K123M3-L5 HydrophobicContact CE-CD2 4.11Å; M3-L5 HydrophobicContact CG-CD2 3.71Å; M3-L5 HydrophobicContact CG-CG 4.31Å; M3-L5 HydrophobicContact SD-CD2 3.86Å; L5-L30 HydrophobicContact CB-CD1 4.21Å; L5-L30 HydrophobicContact CB-CD2 4.28Å; L5-L30 HydrophobicContact CD1-CD1 4.1Å; L5-Y58 HydrophobicContact CD1-CD1 3.31Å; L5-Y58 HydrophobicContact CD1-CE1 3.33Å; L5-Y58 HydrophobicContact CD1-CG 4.43Å; L5-V73 PolarHBondContact N-O 3.26Å; L5-T75 HydrophobicContact CD1-CG2 4.15Å; L5-T75 HydrophobicContact CG-CG2 4.49Å; L5-K123 PolarHBondContact O-NZ 2.85Å
6F94.5Very high91.3Very high21 Ų2136.3 Ų36.39%0.09221%0.205CC..EExtended strand (participates in β ladder)trans-151.3150.4-177.6175.7-105.2000110.6A20 S21 K34 L37 M72 V73F6-A20 HydrophobicContact CE2-CB 3.96Å; F6-A20 HydrophobicContact CZ-CB 3.83Å; F6-S21 WeakPolarHBondContact CA-OG 3.12Å; F6-S21 VanDerWaalsContact CD2-OG 3.23Å; F6-S21 WeakPolarHBondContact CD2-OG 3.41Å; F6-S21 WeakPolarHBondContact CE2-O 3.27Å; F6-K34 HydrophobicContact CD1-CG 4.21Å; F6-K34 HydrophobicContact CD2-CD 4.37Å; F6-K34 HydrophobicContact CG-CD 4.35Å; F6-K34 HydrophobicContact CG-CG 4.35Å; F6-L37 HydrophobicContact CD1-CD1 4.22Å; F6-L37 HydrophobicContact CE1-CD1 4.27Å; F6-L37 HydrophobicContact CE1-CD2 4.18Å; F6-M72 CarbonylContact O-C 3.38Å; F6-M72 VanDerWaalsContact O-CA 3.29Å; F6-M72 WeakPolarHBondContact O-CA 3.29Å; F6-V73 HydrophobicContact CB-CB 4.12Å; F6-V73 HydrophobicContact CB-CG2 4.23Å; F6-V73 HydrophobicContact CD1-CG2 4.03Å; F6-V73 PolarHBondContact N-O 2.63Å; F6-V73 PolarHBondContact O-N 3.41Å
7A95.9Very high91.6Very high0 Ų035.8 Ų35.80%020%0.204CC..EExtended strand (participates in β ladder)trans-141.1148.4170.100000111.3A20 S21 L71 F86 L90 I119A7-A20 CarbonylContact O-C 3.52Å; A7-A20 VanDerWaalsContact O-CA 3.31Å; A7-A20 WeakPolarHBondContact O-CA 3.46Å; A7-S21 PolarHBondContact N-OG 3.37Å; A7-S21 PolarHBondContact O-N 3.17Å; A7-S21 PolarHBondContact O-OG 2.95Å; A7-L71 CarbonylContact C-O 3.57Å; A7-L71 VanDerWaalsContact CA-O 3.25Å; A7-L71 WeakPolarHBondContact CA-O 3.44Å; A7-F86 HydrophobicContact CB-CE1 3.72Å; A7-F86 HydrophobicContact CB-CZ 3.75Å; A7-L90 HydrophobicContact CB-CD1 4.13Å; A7-I119 HydrophobicContact CB-CG2 3.72Å
8S96.4Very high91.8Very high6 Ų633.8 Ų33.84%0.04219%0.193CC..EExtended strand (participates in β ladder)trans-145.2144178.5-175.70000111.6S19 L71S8-S19 WeakPolarHBondContact CA-O 3.45Å; S8-S19 PolarHBondContact OG-O 3.14Å; S8-L71 PolarHBondContact N-O 3.37Å; S8-L71 PolarHBondContact O-N 3.1Å
9V97.3Very high92.1Very high0 Ų032.1 Ų32.10%018%0.183CC..EExtended strand (participates in β ladder)trans-111.4127.4172.3-171.90000107.8L18 S19 V68 G69 Y70 F94 F115 I119V9-L18 HydrophobicContact CG1-CB 4.34Å; V9-L18 HydrophobicContact CG1-CD1 4.26Å; V9-L18 WeakPolarHBondContact O-CA 3.35Å; V9-L18 WeakPolarHBondContact O-CB 3.47Å; V9-L18 PolarHBondContact O-N 3Å; V9-S19 PolarHBondContact N-O 3.23Å; V9-S19 PolarHBondContact O-N 3.4Å; V9-S19 VanDerWaalsContact O-N 3.12Å; V9-S19 VanDerWaalsContact O-O 3.11Å; V9-V68 HydrophobicContact CG1-CG1 3.37Å; V9-G69 CarbonylContact C-O 3.57Å; V9-G69 WeakPolarHBondContact CA-O 3.3Å; V9-Y70 HydrophobicContact CG1-CD1 4.09Å; V9-Y70 HydrophobicContact CG1-CE1 3.89Å; V9-Y70 HydrophobicContact CG2-CD1 3.99Å; V9-Y70 HydrophobicContact CG2-CE1 4.31Å; V9-F94 HydrophobicContact CB-CE2 4.47Å; V9-F94 HydrophobicContact CG1-CD1 4.25Å; V9-F94 HydrophobicContact CG1-CD2 4.07Å; V9-F94 HydrophobicContact CG1-CE1 4.06Å; V9-F94 HydrophobicContact CG1-CE2 3.9Å; V9-F94 HydrophobicContact CG1-CG 4.25Å; V9-F94 HydrophobicContact CG1-CZ 3.9Å; V9-F94 HydrophobicContact CG2-CD2 4.49Å; V9-F115 HydrophobicContact CG2-CD1 4.09Å; V9-F115 HydrophobicContact CG2-CE1 3.97Å; V9-I119 HydrophobicContact CG2-CD1 4.31Å
10V96.8Very high92.3Very high3 Ų331 Ų312%0.01818%0.178CC..EExtended strand (participates in β ladder)trans-134.7156.7-174.4-52.60000110.6L16 L44 V68 G69 L71V10-L16 CarbonylContact C-O 3.56Å; V10-L16 VanDerWaalsContact CA-O 3.29Å; V10-L16 WeakPolarHBondContact CA-O 3.45Å; V10-L44 HydrophobicContact CG2-CD1 3.58Å; V10-V68 CarbonylContact O-C 3.59Å; V10-V68 WeakPolarHBondContact O-CA 3.33Å; V10-G69 PolarHBondContact N-O 3.1Å; V10-G69 PolarHBondContact O-N 3.49Å; V10-L71 HydrophobicContact CB-CD1 4.31Å; V10-L71 HydrophobicContact CG1-CD1 3.86Å; V10-L71 HydrophobicContact CG2-CD1 3.51Å
11R94.6Very high92.4Very high33 Ų3329.8 Ų29.813%0.12517%0.172CC..EExtended strand (participates in β ladder)trans-82.6130.4168.8-176.616662.5-161.65.5109.9A13 D14 G15 L16 L18 I103 S104 A106R11-A13 VanDerWaalsContact C-N 3.31Å; R11-A13 HydrophobicContact CG-CB 4.2Å; R11-A13 PolarHBondContact O-N 3.16Å; R11-D14 IonicContact CZ-OD1 3.73Å; R11-D14 IonicContact CZ-OD2 3.45Å; R11-D14 IonicContact NE-OD1 2.92Å; R11-D14 PolarHBondContact NE-OD1 3.49Å; R11-D14 IonicContact NE-OD2 3.4Å; R11-D14 PolarHBondContact NE-OD2 3.38Å; R11-D14 IonicContact NH2-OD1 3.71Å; R11-D14 IonicContact NH2-OD2 2.69Å; R11-D14 PolarHBondContact NH2-OD2 3.46Å; R11-G15 WeakPolarHBondContact O-CA 3.34Å; R11-G15 PolarHBondContact O-N 3.33Å; R11-L16 HydrophobicContact CB-CB 4.24Å; R11-L16 PolarHBondContact N-O 3.47Å; R11-L18 HydrophobicContact CB-CD1 4.36Å; R11-L18 HydrophobicContact CB-CD2 4.36Å; R11-L18 HydrophobicContact CB-CG 4.44Å; R11-I103 PolarHBondContact NH1-O 2.94Å; R11-S104 PolarHBondContact NH1-O 3.34Å; R11-A106 VanDerWaalsContact CZ-O 3.27Å; R11-A106 PolarHBondContact NH1-O 2.89Å; R11-A106 PolarHBondContact NH2-O 2.84Å
12V92.8Very high93Very high13 Ų1324.1 Ų24.18%0.07915%0.148CC..THydrogen-bonded Turntrans-68.7-31-175.3174.50000112.3D14 L44 N45 Y64 G67V12-D14 VanDerWaalsContact C-N 3.33Å; V12-D14 PolarHBondContact O-N 3.35Å; V12-L44 HydrophobicContact CG1-CB 4.35Å; V12-N45 HydrophobicContact CG1-CB 3.94Å; V12-Y64 HydrophobicContact CG2-CD2 4.34Å; V12-Y64 HydrophobicContact CG2-CG 4.14Å; V12-G67 PolarHBondContact N-O 2.89Å
13A88.1Confident92.5Very high81 Ų8123.6 Ų23.667%0.66914%0.142SC*.THydrogen-bonded Turntrans-62.2-38.1-17400000113.4R11R11-A13 VanDerWaalsContact C-N 3.31Å; R11-A13 HydrophobicContact CG-CB 4.2Å; R11-A13 PolarHBondContact O-N 3.16Å
14D87Confident91.2Very high74 Ų7431 Ų3140%0.39617%0.167SC..THydrogen-bonded Turntrans-137.3-3.1-171.558.4-9.3000113.8R11 V12 L16R11-D14 IonicContact CZ-OD1 3.73Å; R11-D14 IonicContact CZ-OD2 3.45Å; R11-D14 IonicContact NE-OD1 2.92Å; R11-D14 PolarHBondContact NE-OD1 3.49Å; R11-D14 IonicContact NE-OD2 3.4Å; R11-D14 PolarHBondContact NE-OD2 3.38Å; R11-D14 IonicContact NH2-OD1 3.71Å; R11-D14 IonicContact NH2-OD2 2.69Å; R11-D14 PolarHBondContact NH2-OD2 3.46Å; V12-D14 VanDerWaalsContact C-N 3.33Å; V12-D14 PolarHBondContact O-N 3.35Å; D14-L16 VanDerWaalsContact C-N 3.27Å; D14-L16 PolarHBondContact O-N 2.99Å; D14-L16 VanDerWaalsContact OD1-CB 3.32Å; D14-L16 WeakPolarHBondContact OD1-CB 3.45Å; D14-L16 PolarHBondContact OD1-N 2.93Å; D14-L16 VanDerWaalsContact OD1-N 3.14Å
15G91.4Very high89.9Confident8 Ų833.6 Ų33.68%0.08218%0.18CC..  trans71.718.5-174.500000113.7R11 P17 S41R11-G15 WeakPolarHBondContact O-CA 3.34Å; R11-G15 PolarHBondContact O-N 3.33Å; G15-P17 WeakPolarHBondContact O-CD 3.44Å; G15-S41 VanDerWaalsContact CA-O 3.3Å; G15-S41 WeakPolarHBondContact CA-O 3.5Å
16L94.2Very high88.5Confident20 Ų2042.5 Ų42.511%0.10522%0.221CC..  trans-61121.6178.4-17875000109.6V10 R11 D14 L18 A106 P109V10-L16 CarbonylContact C-O 3.56Å; V10-L16 VanDerWaalsContact CA-O 3.29Å; V10-L16 WeakPolarHBondContact CA-O 3.45Å; R11-L16 HydrophobicContact CB-CB 4.24Å; R11-L16 PolarHBondContact N-O 3.47Å; D14-L16 VanDerWaalsContact C-N 3.27Å; D14-L16 PolarHBondContact O-N 2.99Å; D14-L16 VanDerWaalsContact OD1-CB 3.32Å; D14-L16 WeakPolarHBondContact OD1-CB 3.45Å; D14-L16 PolarHBondContact OD1-N 2.93Å; D14-L16 VanDerWaalsContact OD1-N 3.14Å; L16-L18 HydrophobicContact CD2-CD2 4.42Å; L16-L18 PolarHBondContact O-N 3.43Å; L16-A106 HydrophobicContact CD2-CB 4.28Å; L16-A106 WeakPolarHBondContact CD2-O 3.21Å; L16-P109 HydrophobicContact CD1-CG 4.16Å
17P95.7Very high87.8Confident29 Ų2946.6 Ų46.619%0.18824%0.24CC..EExtended strand (participates in β ladder)trans-67.8125.3175.927.1-33.3000109.9G15 P109 Y110G15-P17 WeakPolarHBondContact O-CD 3.44Å; P17-P109 HydrophobicContact CG-CB 4Å; P17-Y110 HydrophobicContact CB-CD1 4.23Å; P17-Y110 HydrophobicContact CB-CE1 3.79Å; P17-Y110 HydrophobicContact CB-CE2 4.26Å; P17-Y110 HydrophobicContact CG-CD2 4.43Å; P17-Y110 HydrophobicContact CG-CE1 4.44Å; P17-Y110 HydrophobicContact CG-CE2 4.01Å; P17-Y110 PolarHBondContact O-N 3.06Å
18L96.6Very high87.2Confident0 Ų055 Ų550%028%0.277CS..EExtended strand (participates in β ladder)trans-95.5-43.1179.1-60.1177.4000110.7V9 R11 L16 V68 F94 I103 A106 Y110 F112V9-L18 HydrophobicContact CG1-CB 4.34Å; V9-L18 HydrophobicContact CG1-CD1 4.26Å; V9-L18 WeakPolarHBondContact O-CA 3.35Å; V9-L18 WeakPolarHBondContact O-CB 3.47Å; V9-L18 PolarHBondContact O-N 3Å; R11-L18 HydrophobicContact CB-CD1 4.36Å; R11-L18 HydrophobicContact CB-CD2 4.36Å; R11-L18 HydrophobicContact CB-CG 4.44Å; L16-L18 HydrophobicContact CD2-CD2 4.42Å; L16-L18 PolarHBondContact O-N 3.43Å; L18-V68 HydrophobicContact CD1-CG1 4.09Å; L18-V68 HydrophobicContact CD1-CG2 4.33Å; L18-F94 HydrophobicContact CB-CZ 4.23Å; L18-F94 HydrophobicContact CD1-CE1 4.18Å; L18-F94 HydrophobicContact CD1-CZ 4Å; L18-I103 HydrophobicContact CD1-CG2 3.75Å; L18-I103 HydrophobicContact CD2-CG2 4.5Å; L18-A106 HydrophobicContact CD2-CB 4.49Å; L18-Y110 CarbonylContact O-C 3.55Å; L18-Y110 VanDerWaalsContact O-CA 3.3Å; L18-Y110 WeakPolarHBondContact O-CA 3.3Å; L18-F112 HydrophobicContact CB-CD2 3.9Å; L18-F112 HydrophobicContact CD2-CD2 3.92Å; L18-F112 HydrophobicContact CD2-CE2 3.87Å; L18-F112 HydrophobicContact CG-CD2 4.41Å; L18-F112 CarbonylContact O-C 3.57Å; L18-F112 WeakPolarHBondContact O-CA 3.25Å; L18-F112 WeakPolarHBondContact O-CB 3.43Å; L18-F112 PolarHBondContact O-N 2.95Å
19S97.1Very high86.5Confident0 Ų058.7 Ų58.70%030%0.296CS..EExtended strand (participates in β ladder)trans-157160.2174.9-160.50000110.6S8 V9 F112 D116S8-S19 WeakPolarHBondContact CA-O 3.45Å; S8-S19 PolarHBondContact OG-O 3.14Å; V9-S19 PolarHBondContact N-O 3.23Å; V9-S19 PolarHBondContact O-N 3.4Å; V9-S19 VanDerWaalsContact O-N 3.12Å; V9-S19 VanDerWaalsContact O-O 3.11Å; S19-F112 VanDerWaalsContact CB-O 3.27Å; S19-F112 WeakPolarHBondContact CB-O 3.34Å; S19-F112 PolarHBondContact OG-O 3.43Å; S19-D116 PolarHBondContact OG-N 2.72Å
20A95.8Very high86Confident11 Ų1158.7 Ų58.79%0.09130%0.296CS..EExtended strand (participates in β ladder)trans-157.6158.517400000111.1F6 A7 T22 Y110F6-A20 HydrophobicContact CE2-CB 3.96Å; F6-A20 HydrophobicContact CZ-CB 3.83Å; A7-A20 CarbonylContact O-C 3.52Å; A7-A20 VanDerWaalsContact O-CA 3.31Å; A7-A20 WeakPolarHBondContact O-CA 3.46Å; A20-T22 PolarHBondContact O-N 3.33Å; A20-Y110 HydrophobicContact CB-CE1 3.8Å
21S93.9Very high85.5Confident6 Ų663 Ų634%0.04232%0.316CS..  trans-68.5127.1172.661.50000111.1F6 A7 D23 D116F6-S21 WeakPolarHBondContact CA-OG 3.12Å; F6-S21 VanDerWaalsContact CD2-OG 3.23Å; F6-S21 WeakPolarHBondContact CD2-OG 3.41Å; F6-S21 WeakPolarHBondContact CE2-O 3.27Å; A7-S21 PolarHBondContact N-OG 3.37Å; A7-S21 PolarHBondContact O-N 3.17Å; A7-S21 PolarHBondContact O-OG 2.95Å; S21-D23 WeakPolarHBondContact CB-OD2 3.07Å; S21-D23 PolarHBondContact O-N 3.29Å; S21-D23 PolarHBondContact OG-OD2 3.27Å; S21-D116 VanDerWaalsContact CA-OD1 3.29Å; S21-D116 WeakPolarHBondContact CA-OD1 3.16Å
22T82.6Confident85Confident81 Ų8165.7 Ų65.750%0.49733%0.33SS..  trans-80.8101.1172.2-50.40000110A20 D116 Q120A20-T22 PolarHBondContact O-N 3.33Å; T22-D116 WeakPolarHBondContact CB-OD2 3.48Å; T22-D116 PolarHBondContact N-OD1 2.93Å; T22-D116 PolarHBondContact OG1-OD2 3.2Å; T22-Q120 PolarHBondContact O-NE2 2.93Å; T22-Q120 VanDerWaalsContact O-NE2 3.09Å
23D75.2Confident84.7Confident31 Ų3165.3 Ų65.317%0.16633%0.328CS..  trans-123.4124-178.8-56.9-50000111.4S21 E25 Q120 K123S21-D23 WeakPolarHBondContact CB-OD2 3.07Å; S21-D23 PolarHBondContact O-N 3.29Å; S21-D23 PolarHBondContact OG-OD2 3.27Å; D23-E25 VanDerWaalsContact C-N 3.33Å; D23-E25 PolarHBondContact O-N 3.48Å; D23-E25 VanDerWaalsContact O-N 3.16Å; D23-Q120 PolarHBondContact OD1-NE2 2.81Å; D23-Q120 VanDerWaalsContact OD1-NE2 3.09Å; D23-K123 IonicContact OD1-NZ 2.63Å; D23-K123 PolarHBondContact OD1-NZ 2.87Å; D23-K123 IonicContact OD2-NZ 3.75Å; D23-K123 PolarHBondContact OD2-NZ 3.16Å
24Y63.2Low84.7Confident228 Ų22862.9 Ų62.989%0.89430%0.302SS*.  trans-85.470174-72-88.2000110.5
25E65.8Low84.6Confident57 Ų5766.6 Ų66.627%0.26631%0.311SS..  trans-109.5122.2175.5-72.4-171.7-161.400111.3D23 L30 Q31D23-E25 VanDerWaalsContact C-N 3.33Å; D23-E25 PolarHBondContact O-N 3.48Å; D23-E25 VanDerWaalsContact O-N 3.16Å; E25-L30 HydrophobicContact CB-CD2 3.91Å; E25-L30 HydrophobicContact CG-CD2 4.49Å; E25-L30 WeakPolarHBondContact OE2-CD2 3.41Å; E25-Q31 PolarHBondContact O-NE2 3.36Å
26Q63.4Low84.2Confident191 Ų19168.3 Ų68.389%0.89332%0.317SS*.  trans-89.40.1-175.9-69.9-178.6-7.600113.7K28Q26-K28 PolarHBondContact O-N 2.66Å
27E80.1Confident83.9Confident106 Ų10667.8 Ų67.850%0.49531%0.314SS..  trans-68.6120.1-177-161.1170.8-159.300110.7D29 L30 Q31 Y58E27-D29 VanDerWaalsContact C-N 3.32Å; E27-D29 PolarHBondContact O-N 3.03Å; E27-L30 HydrophobicContact CB-CB 4.32Å; E27-L30 PolarHBondContact O-N 3.05Å; E27-Q31 WeakPolarHBondContact O-CG 3.38Å; E27-Q31 PolarHBondContact O-N 3.03Å; E27-Q31 VanDerWaalsContact O-N 3.14Å; E27-Y58 PolarHBondContact OE1-OH 3Å; E27-Y58 PolarHBondContact OE2-OH 3.41Å
28K82.7Confident83.5Confident177 Ų17773.2 Ų73.277%0.7733%0.334SS*.Hα-helixtrans-59.3-41.9-173.5-71-175.1179.2178.40112.2Q26 L30 Q31 E32Q26-K28 PolarHBondContact O-N 2.66Å; K28-L30 VanDerWaalsContact C-N 3.31Å; K28-L30 PolarHBondContact O-N 3.28Å; K28-Q31 WeakPolarHBondContact O-CB 3.41Å; K28-Q31 PolarHBondContact O-N 2.96Å; K28-Q31 VanDerWaalsContact O-N 3.16Å; K28-E32 PolarHBondContact O-N 2.91Å
29D83.3Confident83Confident84 Ų8474.2 Ų74.245%0.44934%0.344SS..Hα-helixtrans-66-35.8-177.2-62.6-5.3000111.7E27 E32 T33 Y58E27-D29 VanDerWaalsContact C-N 3.32Å; E27-D29 PolarHBondContact O-N 3.03Å; D29-E32 PolarHBondContact O-N 2.83Å; D29-T33 WeakPolarHBondContact O-CB 3.46Å; D29-T33 PolarHBondContact O-N 3.18Å; D29-T33 PolarHBondContact O-OG1 3.43Å; D29-Y58 HydrophobicContact CB-CE2 3.75Å
30L85.3Confident82.6Confident0 Ų074.2 Ų74.20%034%0.344CS..Hα-helixtrans-69-40.2174.3-178.962.6000111.4L5 E25 E27 K28 E32 T33 K34 Y58 V73L5-L30 HydrophobicContact CB-CD1 4.21Å; L5-L30 HydrophobicContact CB-CD2 4.28Å; L5-L30 HydrophobicContact CD1-CD1 4.1Å; E25-L30 HydrophobicContact CB-CD2 3.91Å; E25-L30 HydrophobicContact CG-CD2 4.49Å; E25-L30 WeakPolarHBondContact OE2-CD2 3.41Å; E27-L30 HydrophobicContact CB-CB 4.32Å; E27-L30 PolarHBondContact O-N 3.05Å; K28-L30 VanDerWaalsContact C-N 3.31Å; K28-L30 PolarHBondContact O-N 3.28Å; L30-E32 VanDerWaalsContact C-N 3.31Å; L30-E32 PolarHBondContact O-N 3.42Å; L30-T33 PolarHBondContact O-N 3.02Å; L30-K34 HydrophobicContact CG-CD 4.47Å; L30-K34 WeakPolarHBondContact O-CG 3.16Å; L30-K34 PolarHBondContact O-N 3.16Å; L30-Y58 HydrophobicContact CB-CE2 4.13Å; L30-V73 HydrophobicContact CD1-CB 4.41Å; L30-V73 HydrophobicContact CD1-CG1 3.7Å
31Q86Confident82.3Confident94 Ų9473.9 Ų73.944%0.43934%0.342SS..Hα-helixtrans-62.7-40.1176.1-67.9-65.8-18.600111.5E25 E27 K28 K34 R35E25-Q31 PolarHBondContact O-NE2 3.36Å; E27-Q31 WeakPolarHBondContact O-CG 3.38Å; E27-Q31 PolarHBondContact O-N 3.03Å; E27-Q31 VanDerWaalsContact O-N 3.14Å; K28-Q31 WeakPolarHBondContact O-CB 3.41Å; K28-Q31 PolarHBondContact O-N 2.96Å; K28-Q31 VanDerWaalsContact O-N 3.16Å; Q31-K34 PolarHBondContact O-N 3.03Å; Q31-R35 PolarHBondContact O-N 3.4Å
32E84.7Confident82Confident89 Ų8979.8 Ų79.842%0.41637%0.367SS..Hα-helixtrans-63.9-43172.7179.9157.2-135.800112K28 D29 L30 K34 R35 H36K28-E32 PolarHBondContact O-N 2.91Å; D29-E32 PolarHBondContact O-N 2.83Å; L30-E32 VanDerWaalsContact C-N 3.31Å; L30-E32 PolarHBondContact O-N 3.42Å; E32-K34 VanDerWaalsContact C-N 3.33Å; E32-K34 PolarHBondContact O-N 3.47Å; E32-R35 WeakPolarHBondContact O-CA 3.33Å; E32-R35 VanDerWaalsContact O-CB 3.31Å; E32-R35 WeakPolarHBondContact O-CB 3.04Å; E32-R35 PolarHBondContact O-N 3.05Å; E32-R35 VanDerWaalsContact O-N 3.08Å; E32-R35 IonicContact OE1-CZ 3.66Å; E32-R35 IonicContact OE1-NH2 2.72Å; E32-R35 PolarHBondContact OE1-NH2 3.35Å; E32-H36 PolarHBondContact O-N 3.23Å
33T87.2Confident82.2Confident4 Ų478.6 Ų78.63%0.02535%0.354CS..Hα-helixtrans-61.3-40.7175.3-58.40000111.6D29 L30 R35 H36 L37 S55 Y58 V60 V73D29-T33 WeakPolarHBondContact O-CB 3.46Å; D29-T33 PolarHBondContact O-N 3.18Å; D29-T33 PolarHBondContact O-OG1 3.43Å; L30-T33 PolarHBondContact O-N 3.02Å; T33-R35 VanDerWaalsContact C-N 3.33Å; T33-R35 PolarHBondContact O-N 2.84Å; T33-H36 PolarHBondContact O-N 3.45Å; T33-L37 WeakPolarHBondContact O-CB 3.45Å; T33-L37 PolarHBondContact O-N 2.94Å; T33-S55 PolarHBondContact OG1-OG 2.68Å; T33-Y58 WeakPolarHBondContact OG1-CD2 3.3Å; T33-V60 HydrophobicContact CG2-CG2 3.57Å; T33-V73 HydrophobicContact CG2-CG1 3.86Å; T33-V73 HydrophobicContact CG2-CG2 4.34Å
34K87.3Confident82.7Confident30 Ų3077.1 Ų77.113%0.1335%0.346CS..Hα-helixtrans-63.4-36.9173.2-73175.9-179.5-179.70112F6 L30 Q31 E32 L37 K38F6-K34 HydrophobicContact CD1-CG 4.21Å; F6-K34 HydrophobicContact CD2-CD 4.37Å; F6-K34 HydrophobicContact CG-CD 4.35Å; F6-K34 HydrophobicContact CG-CG 4.35Å; L30-K34 HydrophobicContact CG-CD 4.47Å; L30-K34 WeakPolarHBondContact O-CG 3.16Å; L30-K34 PolarHBondContact O-N 3.16Å; Q31-K34 PolarHBondContact O-N 3.03Å; E32-K34 VanDerWaalsContact C-N 3.33Å; E32-K34 PolarHBondContact O-N 3.47Å; K34-L37 WeakPolarHBondContact O-CB 3.37Å; K34-L37 PolarHBondContact O-N 2.96Å; K34-K38 PolarHBondContact O-N 3.34Å
35R85.2Confident83.8Confident152 Ų15270.4 Ų70.457%0.57433%0.326SS*.Hα-helixtrans-63.7-44.3173.6-172.4-175.568.4-164.8-3.7111.2Q31 E32 T33 L37 K38 G39Q31-R35 PolarHBondContact O-N 3.4Å; E32-R35 WeakPolarHBondContact O-CA 3.33Å; E32-R35 VanDerWaalsContact O-CB 3.31Å; E32-R35 WeakPolarHBondContact O-CB 3.04Å; E32-R35 PolarHBondContact O-N 3.05Å; E32-R35 VanDerWaalsContact O-N 3.08Å; E32-R35 IonicContact OE1-CZ 3.66Å; E32-R35 IonicContact OE1-NH2 2.72Å; E32-R35 PolarHBondContact OE1-NH2 3.35Å; T33-R35 VanDerWaalsContact C-N 3.33Å; T33-R35 PolarHBondContact O-N 2.84Å; R35-L37 VanDerWaalsContact C-N 3.34Å; R35-K38 WeakPolarHBondContact O-CB 3.4Å; R35-K38 PolarHBondContact O-N 3.02Å; R35-G39 PolarHBondContact O-N 2.65Å
36H83.5Confident84.7Confident45 Ų4572.6 Ų72.621%0.20834%0.336CS..Hα-helixtrans-62.9-41.3174.9-64.4160.7000111.9E32 T33 K38 G39 L40 L158E32-H36 PolarHBondContact O-N 3.23Å; T33-H36 PolarHBondContact O-N 3.45Å; H36-K38 VanDerWaalsContact C-N 3.28Å; H36-K38 PolarHBondContact O-N 2.97Å; H36-G39 WeakPolarHBondContact O-CA 3.4Å; H36-G39 PolarHBondContact O-N 2.98Å; H36-L40 WeakPolarHBondContact O-CB 3.48Å; H36-L40 PolarHBondContact O-N 3.32Å; H36-L158 HydrophobicContact CB-CD2 4.4Å
37L87.6Confident85.7Confident9 Ų964.3 Ų64.35%0.04730%0.297CS..Hα-helixtrans-58.1-38.8174.8-174.5152.4000112.1F6 T33 K34 R35 G39 L40 S41 V60 L71 V73F6-L37 HydrophobicContact CD1-CD1 4.22Å; F6-L37 HydrophobicContact CE1-CD1 4.27Å; F6-L37 HydrophobicContact CE1-CD2 4.18Å; T33-L37 WeakPolarHBondContact O-CB 3.45Å; T33-L37 PolarHBondContact O-N 2.94Å; K34-L37 WeakPolarHBondContact O-CB 3.37Å; K34-L37 PolarHBondContact O-N 2.96Å; R35-L37 VanDerWaalsContact C-N 3.34Å; L37-G39 VanDerWaalsContact C-N 3.35Å; L37-L40 WeakPolarHBondContact O-CB 3.39Å; L37-L40 PolarHBondContact O-N 3.25Å; L37-S41 PolarHBondContact O-N 2.89Å; L37-V60 HydrophobicContact CD1-CG1 3.95Å; L37-V60 HydrophobicContact CG-CG1 4.45Å; L37-L71 HydrophobicContact CD1-CB 3.99Å; L37-L71 HydrophobicContact CD1-CD2 4.32Å; L37-L71 HydrophobicContact CD2-CB 4.35Å; L37-L71 HydrophobicContact CD2-CD2 3.95Å; L37-L71 HydrophobicContact CG-CB 4.31Å; L37-L71 HydrophobicContact CG-CD2 3.77Å; L37-V73 HydrophobicContact CD1-CG2 3.51Å
38K86.9Confident86Confident143 Ų14359.7 Ų59.762%0.62228%0.276SS*.Hα-helixtrans-68.1-30.8174.6-172.7178.4-179.3179.30113.3K34 R35 H36 S41K34-K38 PolarHBondContact O-N 3.34Å; R35-K38 WeakPolarHBondContact O-CB 3.4Å; R35-K38 PolarHBondContact O-N 3.02Å; H36-K38 VanDerWaalsContact C-N 3.28Å; H36-K38 PolarHBondContact O-N 2.97Å; K38-S41 PolarHBondContact O-OG 3.45Å
39G86.6Confident85.9Confident20 Ų2052.1 Ų52.121%0.20624%0.244CC..Hα-helixtrans-69.8-45.7171.100000111.2R35 H36 L37 S41 K42R35-G39 PolarHBondContact O-N 2.65Å; H36-G39 WeakPolarHBondContact O-CA 3.4Å; H36-G39 PolarHBondContact O-N 2.98Å; L37-G39 VanDerWaalsContact C-N 3.35Å; G39-S41 VanDerWaalsContact C-N 3.35Å; G39-S41 PolarHBondContact O-N 3.24Å; G39-K42 PolarHBondContact O-N 3.04Å
40L87.9Confident86.1Confident0 Ų049 Ų490%023%0.226CC..Hα-helixtrans-60.9-39.8177.7-179.165.1000112.3H36 L37 K42 K43 L44 F47 L53 V60 F62 L153 I161H36-L40 WeakPolarHBondContact O-CB 3.48Å; H36-L40 PolarHBondContact O-N 3.32Å; L37-L40 WeakPolarHBondContact O-CB 3.39Å; L37-L40 PolarHBondContact O-N 3.25Å; L40-K42 PolarHBondContact O-N 3.02Å; L40-K42 VanDerWaalsContact O-N 3.12Å; L40-K43 CarbonylContact O-C 3.46Å; L40-K43 PolarHBondContact O-N 3.27Å; L40-L44 HydrophobicContact CG-CD2 4.13Å; L40-L44 PolarHBondContact O-N 2.89Å; L40-F47 HydrophobicContact CD1-CD2 3.93Å; L40-F47 HydrophobicContact CD1-CE2 3.58Å; L40-F47 HydrophobicContact CD1-CZ 4.38Å; L40-L53 HydrophobicContact CD2-CD2 4.43Å; L40-V60 HydrophobicContact CD2-CG1 4.27Å; L40-F62 HydrophobicContact CD1-CE1 4.22Å; L40-F62 HydrophobicContact CD2-CD1 3.92Å; L40-F62 HydrophobicContact CD2-CE1 3.75Å; L40-F62 HydrophobicContact CG-CE1 4.25Å; L40-L153 HydrophobicContact CD1-CD1 4.18Å; L40-I161 HydrophobicContact CD1-CD1 4.25Å
41S89.1Confident86.4Confident5 Ų549 Ų494%0.03523%0.226CC..Hα-helixtrans-57.9-29.4-178.371.20000113.4G15 L37 K38 G39 K43G15-S41 VanDerWaalsContact CA-O 3.3Å; G15-S41 WeakPolarHBondContact CA-O 3.5Å; L37-S41 PolarHBondContact O-N 2.89Å; K38-S41 PolarHBondContact O-OG 3.45Å; G39-S41 VanDerWaalsContact C-N 3.35Å; G39-S41 PolarHBondContact O-N 3.24Å; S41-K43 VanDerWaalsContact C-N 3.31Å
42K88.9Confident86.7Confident130 Ų13044.5 Ų44.557%0.56521%0.206SC*.THydrogen-bonded Turntrans-77.6-14.6178-62.9-178.1177.5-175.90114G39 L40G39-K42 PolarHBondContact O-N 3.04Å; L40-K42 PolarHBondContact O-N 3.02Å; L40-K42 VanDerWaalsContact O-N 3.12Å
43K86.4Confident87Confident55 Ų5540.5 Ų40.524%0.23919%0.187CC..THydrogen-bonded Turntrans-124.516.1-174.3-65.9-176.1176.1-177.20112.5L40 S41 N45 Q46 F47 A160 I161L40-K43 CarbonylContact O-C 3.46Å; L40-K43 PolarHBondContact O-N 3.27Å; S41-K43 VanDerWaalsContact C-N 3.31Å; K43-N45 PolarHBondContact O-N 3.22Å; K43-N45 VanDerWaalsContact O-N 3.17Å; K43-Q46 HydrophobicContact CB-CG 4.3Å; K43-Q46 VanDerWaalsContact O-CB 3.31Å; K43-Q46 WeakPolarHBondContact O-CB 3.23Å; K43-Q46 PolarHBondContact O-N 2.93Å; K43-F47 HydrophobicContact CB-CE2 4.25Å; K43-F47 VanDerWaalsContact O-CD2 3.24Å; K43-F47 WeakPolarHBondContact O-CD2 3.42Å; K43-F47 WeakPolarHBondContact O-CE2 3.25Å; K43-A160 PolarHBondContact NZ-O 2.8Å; K43-I161 HydrophobicContact CD-CB 4.2Å; K43-I161 HydrophobicContact CD-CD1 4.29Å; K43-I161 HydrophobicContact CD-CG1 3.77Å; K43-I161 HydrophobicContact CD-CG2 3.86Å; K43-I161 PolarHBondContact NZ-O 2.7Å
44L86.8Confident87.1Confident0 Ų046.9 Ų46.90%021%0.214CC..G310 helixtrans-56-35-179.8-69.9175.9000112.8V10 V12 L40 Q46 F47 F62 Y64 L71V10-L44 HydrophobicContact CG2-CD1 3.58Å; V12-L44 HydrophobicContact CG1-CB 4.35Å; L40-L44 HydrophobicContact CG-CD2 4.13Å; L40-L44 PolarHBondContact O-N 2.89Å; L44-Q46 PolarHBondContact O-N 3.14Å; L44-Q46 VanDerWaalsContact O-N 3.14Å; L44-F47 PolarHBondContact O-N 3.16Å; L44-F47 VanDerWaalsContact O-N 3.1Å; L44-F62 HydrophobicContact CD2-CD1 4.24Å; L44-F62 HydrophobicContact CD2-CD2 3.73Å; L44-F62 HydrophobicContact CD2-CE1 4.15Å; L44-F62 HydrophobicContact CD2-CE2 3.67Å; L44-F62 HydrophobicContact CD2-CG 4.01Å; L44-F62 HydrophobicContact CD2-CZ 3.86Å; L44-Y64 HydrophobicContact CB-CD1 4.41Å; L44-Y64 VanDerWaalsContact O-CE1 3.32Å; L44-Y64 WeakPolarHBondContact O-CE1 3.18Å; L44-L71 HydrophobicContact CD1-CD1 4.21Å; L44-L71 HydrophobicContact CD2-CD2 4.26Å
45N84.8Confident86.9Confident88 Ų8846.6 Ų46.647%0.47122%0.216SC..G310 helixtrans-64.6-11.3176.763.4-7.2000114.6V12 K43V12-N45 HydrophobicContact CG1-CB 3.94Å; K43-N45 PolarHBondContact O-N 3.22Å; K43-N45 VanDerWaalsContact O-N 3.17Å
46Q85.6Confident86.8Confident102 Ų10242.9 Ų42.948%0.47723%0.225SC..G310 helixtrans-88.1-11.6176.2-55.8-176.7-3.300112.6K43 L44K43-Q46 HydrophobicContact CB-CG 4.3Å; K43-Q46 VanDerWaalsContact O-CB 3.31Å; K43-Q46 WeakPolarHBondContact O-CB 3.23Å; K43-Q46 PolarHBondContact O-N 2.93Å; L44-Q46 PolarHBondContact O-N 3.14Å; L44-Q46 VanDerWaalsContact O-N 3.14Å
47F84.3Confident87.1Confident18 Ų1844.3 Ų44.38%0.07924%0.238CC..SBendtrans-116.4163.7-174.4-57.1-66.1000111.7L40 K43 L44 F62 Y64 L153 D157 I161L40-F47 HydrophobicContact CD1-CD2 3.93Å; L40-F47 HydrophobicContact CD1-CE2 3.58Å; L40-F47 HydrophobicContact CD1-CZ 4.38Å; K43-F47 HydrophobicContact CB-CE2 4.25Å; K43-F47 VanDerWaalsContact O-CD2 3.24Å; K43-F47 WeakPolarHBondContact O-CD2 3.42Å; K43-F47 WeakPolarHBondContact O-CE2 3.25Å; L44-F47 PolarHBondContact O-N 3.16Å; L44-F47 VanDerWaalsContact O-N 3.1Å; F47-F62 HydrophobicContact CB-CE2 4.39Å; F47-F62 HydrophobicContact CB-CZ 3.94Å; F47-F62 HydrophobicContact CD2-CZ 4.4Å; F47-F62 HydrophobicContact CG-CZ 4.41Å; F47-Y64 WeakPolarHBondContact O-CE1 3.42Å; F47-Y64 PolarHBondContact O-OH 2.91Å; F47-L153 HydrophobicContact CD1-CD2 3.21Å; F47-L153 HydrophobicContact CE1-CD2 3.37Å; F47-L153 HydrophobicContact CG-CD2 3.87Å; F47-L153 HydrophobicContact CZ-CD2 4.14Å; F47-D157 HydrophobicContact CE1-CB 4.26Å; F47-I161 HydrophobicContact CE2-CD1 4.2Å; F47-I161 HydrophobicContact CZ-CD1 4.11Å
48P85.1Confident87.2Confident8 Ų844.2 Ų44.25%0.05224%0.237CC..  trans-57156.3170-2736.3000114R50 C51 Y64 Y151 Y172P48-R50 PolarHBondContact O-N 2.85Å; P48-R50 VanDerWaalsContact O-N 3.1Å; P48-C51 PolarHBondContact O-SG 2.76Å; P48-Y64 VanDerWaalsContact O-CE1 3.28Å; P48-Y64 WeakPolarHBondContact O-CE1 3.35Å; P48-Y151 HydrophobicContact CG-CD1 4.26Å; P48-Y151 HydrophobicContact CG-CD2 4.22Å; P48-Y151 HydrophobicContact CG-CG 3.83Å; P48-Y172 HydrophobicContact CB-CD1 4.04Å; P48-Y172 HydrophobicContact CB-CE1 3.55Å; P48-Y172 HydrophobicContact CB-CE2 4.16Å; P48-Y172 HydrophobicContact CG-CD1 3.86Å; P48-Y172 HydrophobicContact CG-CD2 3.9Å; P48-Y172 HydrophobicContact CG-CE1 3.82Å; P48-Y172 HydrophobicContact CG-CE2 3.84Å; P48-Y172 HydrophobicContact CG-CG 3.89Å
49D82.3Confident87.5Confident18 Ų1838 Ų3810%0.09621%0.211CC..SBendtrans-67.2-5.6178.864.4-57.4000113.8I63 Y64 R148D49-I63 CarbonylContact O-C 3.55Å; D49-I63 WeakPolarHBondContact O-CA 3.47Å; D49-I63 WeakPolarHBondContact O-CB 3.44Å; D49-Y64 VanDerWaalsContact CA-CE1 3.45Å; D49-Y64 HydrophobicContact CB-CD2 4.41Å; D49-Y64 HydrophobicContact CB-CE1 4.29Å; D49-Y64 HydrophobicContact CB-CE2 4.1Å; D49-Y64 PolarHBondContact O-N 2.81Å; D49-Y64 VanDerWaalsContact O-N 3.14Å; D49-R148 IonicContact OD1-CZ 2.65Å; D49-R148 IonicContact OD1-NH1 3.88Å; D49-R148 PolarHBondContact OD1-NH1 2.97Å; D49-R148 IonicContact OD1-NH2 3.77Å; D49-R148 IonicContact OD2-CZ 2.84Å; D49-R148 VanDerWaalsContact OD2-CZ 3.26Å; D49-R148 IonicContact OD2-NH1 2.72Å; D49-R148 PolarHBondContact OD2-NH1 2.91Å; D49-R148 IonicContact OD2-NH2 3.26Å; D49-R148 PolarHBondContact OD2-NH2 3.45Å
50R87.6Confident87.8Confident18 Ų1837.1 Ų37.17%0.06820%0.202CC..EExtended strand (participates in β ladder)trans-143.2114173-177.1-176.3-71.8174.9-5.9110.2P48 F62 I63 F84 E144 R148 P150 Y151P48-R50 PolarHBondContact O-N 2.85Å; P48-R50 VanDerWaalsContact O-N 3.1Å; R50-F62 WeakPolarHBondContact CA-O 3.47Å; R50-I63 HydrophobicContact CB-CG2 4.35Å; R50-I63 HydrophobicContact CG-CG2 4.22Å; R50-F84 HydrophobicContact CG-CD1 3.83Å; R50-F84 HydrophobicContact CG-CE1 3.38Å; R50-F84 HydrophobicContact CG-CZ 3.83Å; R50-E144 IonicContact CZ-OE1 3.23Å; R50-E144 VanDerWaalsContact CZ-OE1 3.23Å; R50-E144 IonicContact CZ-OE2 3.67Å; R50-E144 IonicContact NH1-OE1 3.18Å; R50-E144 PolarHBondContact NH1-OE1 3.49Å; R50-E144 IonicContact NH1-OE2 3.62Å; R50-E144 IonicContact NH2-OE1 3.34Å; R50-E144 PolarHBondContact NH2-OE1 2.98Å; R50-E144 IonicContact NH2-OE2 2.58Å; R50-E144 PolarHBondContact NH2-OE2 3.19Å; R50-R148 PolarHBondContact NH1-O 3.45Å; R50-P150 HydrophobicContact CG-CB 3.95Å; R50-Y151 PolarHBondContact O-N 3.49Å
51C91.4Very high88.1Confident0 Ų037.1 Ų37.10%020%0.202CC..EExtended strand (participates in β ladder)trans-138.7155.7-178.9-61.20000112.7P48 N61 F62 Y151 L153P48-C51 PolarHBondContact O-SG 2.76Å; C51-N61 WeakPolarHBondContact O-CA 3.46Å; C51-F62 HydrophobicContact CB-CD1 4Å; C51-F62 HydrophobicContact CB-CD2 4.31Å; C51-F62 HydrophobicContact CB-CE1 3.41Å; C51-F62 VanDerWaalsContact CB-CE1 3.41Å; C51-F62 HydrophobicContact CB-CE2 3.74Å; C51-F62 HydrophobicContact CB-CG 4.44Å; C51-F62 HydrophobicContact CB-CZ 3.27Å; C51-F62 PolarHBondContact N-O 2.87Å; C51-F62 PolarHBondContact O-N 2.75Å; C51-F62 WeakPolarHBondContact SG-CZ 3.47Å; C51-Y151 CarbonylContact C-O 3.39Å; C51-Y151 VanDerWaalsContact CA-O 3.23Å; C51-Y151 WeakPolarHBondContact CA-O 3.47Å; C51-L153 HydrophobicContact CB-CD1 4.02Å; C51-L153 HydrophobicContact CB-CG 4.24Å
52T91.9Very high88.4Confident1 Ų136.9 Ų36.91%0.00620%0.2CC..EExtended strand (participates in β ladder)trans-126.8130.6169.1-61.70000108.5V60 N61 P150 Y151 Q152 L153T52-V60 CarbonylContact C-O 3.57Å; T52-V60 WeakPolarHBondContact CA-O 3.45Å; T52-N61 VanDerWaalsContact CB-OD1 3.3Å; T52-N61 WeakPolarHBondContact CB-OD1 3.31Å; T52-N61 WeakPolarHBondContact CG2-OD1 3.42Å; T52-N61 PolarHBondContact OG1-OD1 2.81Å; T52-P150 WeakPolarHBondContact OG1-CB 3.41Å; T52-Y151 PolarHBondContact N-O 3.19Å; T52-Q152 CarbonylContact O-C 3.52Å; T52-Q152 WeakPolarHBondContact O-CA 3.3Å; T52-L153 PolarHBondContact O-N 2.9Å
53L90.4Very high88.6Confident5 Ų531.3 Ų31.33%0.02618%0.176CC..EExtended strand (participates in β ladder)trans-115.4126.2171.716563.1000108.5L40 N59 V60 L153 L158L40-L53 HydrophobicContact CD2-CD2 4.43Å; L53-N59 CarbonylContact O-C 3.58Å; L53-N59 WeakPolarHBondContact O-CA 3.25Å; L53-V60 HydrophobicContact CB-CB 4.13Å; L53-V60 HydrophobicContact CD2-CB 4.29Å; L53-V60 HydrophobicContact CD2-CG2 4.4Å; L53-V60 HydrophobicContact CG-CB 4.49Å; L53-V60 PolarHBondContact N-O 2.77Å; L53-V60 PolarHBondContact O-N 2.82Å; L53-L153 HydrophobicContact CB-CB 4.04Å; L53-L153 HydrophobicContact CB-CD1 4.14Å; L53-L153 HydrophobicContact CD1-CB 4.01Å; L53-L158 HydrophobicContact CD1-CD1 3.17Å; L53-L158 HydrophobicContact CD2-CD1 3.38Å; L53-L158 HydrophobicContact CD2-CD2 3.98Å; L53-L158 HydrophobicContact CD2-CG 4.25Å; L53-L158 HydrophobicContact CG-CD1 3.85Å
54K88.8Confident88.9Confident138 Ų13829.3 Ų29.360%0.617%0.167SC*.EExtended strand (participates in β ladder)trans-87.5122.5170.9-60.3-173.5-179.9178.10109.3
55S83.9Confident88.9Confident24 Ų2430.9 Ų30.917%0.16818%0.178CC..EExtended strand (participates in β ladder)trans-127.880.8-178.9-174.50000109.2T33 Y58T33-S55 PolarHBondContact OG1-OG 2.68Å; S55-Y58 CarbonylContact C-O 3.52Å; S55-Y58 WeakPolarHBondContact CA-O 3.5Å; S55-Y58 PolarHBondContact N-O 3.08Å; S55-Y58 PolarHBondContact O-N 3.02Å; S55-Y58 VanDerWaalsContact O-N 3.08Å
56G84Confident89Confident74 Ų7430.4 Ų30.476%0.76318%0.175SC*.THydrogen-bonded Turntrans60.2-120.1-179.100000112.2Y58G56-Y58 PolarHBondContact O-N 3.45Å
57P87.9Confident89.1Confident75 Ų7527 Ų2749%0.48717%0.167SC..THydrogen-bonded Turntrans-76.9-2.7179.432.8-34.2000113.7G76P57-G76 PolarHBondContact O-N 3.19Å
58Y91.5Very high89.6Confident7 Ų726.2 Ų26.23%0.02716%0.164CC..EExtended strand (participates in β ladder)trans-120.1154.9-177.2-48.6-68000112.4L5 E27 D29 L30 T33 S55 G56 V73 C74L5-Y58 HydrophobicContact CD1-CD1 3.31Å; L5-Y58 HydrophobicContact CD1-CE1 3.33Å; L5-Y58 HydrophobicContact CD1-CG 4.43Å; E27-Y58 PolarHBondContact OE1-OH 3Å; E27-Y58 PolarHBondContact OE2-OH 3.41Å; D29-Y58 HydrophobicContact CB-CE2 3.75Å; L30-Y58 HydrophobicContact CB-CE2 4.13Å; T33-Y58 WeakPolarHBondContact OG1-CD2 3.3Å; S55-Y58 CarbonylContact C-O 3.52Å; S55-Y58 WeakPolarHBondContact CA-O 3.5Å; S55-Y58 PolarHBondContact N-O 3.08Å; S55-Y58 PolarHBondContact O-N 3.02Å; S55-Y58 VanDerWaalsContact O-N 3.08Å; G56-Y58 PolarHBondContact O-N 3.45Å; Y58-V73 HydrophobicContact CG-CG1 4.39Å; Y58-C74 CarbonylContact C-O 3.55Å; Y58-C74 VanDerWaalsContact CA-O 3.25Å; Y58-C74 WeakPolarHBondContact CA-O 3.41Å; Y58-C74 WeakPolarHBondContact CB-O 3.46Å
59N92.1Very high90.1Very high12 Ų1225.9 Ų25.96%0.06416%0.162CC..EExtended strand (participates in β ladder)trans-112.3135.4167.1-66.5-29.7000109.2L53 V73 C74 G76L53-N59 CarbonylContact O-C 3.58Å; L53-N59 WeakPolarHBondContact O-CA 3.25Å; N59-V73 WeakPolarHBondContact O-CA 3.5Å; N59-C74 PolarHBondContact N-O 2.93Å; N59-C74 PolarHBondContact O-N 2.91Å; N59-G76 WeakPolarHBondContact ND2-CA 3.28Å; N59-G76 PolarHBondContact ND2-O 2.97Å
60V93.3Very high90.9Very high2 Ų225 Ų251%0.01216%0.157CC..EExtended strand (participates in β ladder)trans-103.6114.6169.2-178.30000107.6T33 L37 L40 T52 L53 M72 V73T33-V60 HydrophobicContact CG2-CG2 3.57Å; L37-V60 HydrophobicContact CD1-CG1 3.95Å; L37-V60 HydrophobicContact CG-CG1 4.45Å; L40-V60 HydrophobicContact CD2-CG1 4.27Å; T52-V60 CarbonylContact C-O 3.57Å; T52-V60 WeakPolarHBondContact CA-O 3.45Å; L53-V60 HydrophobicContact CB-CB 4.13Å; L53-V60 HydrophobicContact CD2-CB 4.29Å; L53-V60 HydrophobicContact CD2-CG2 4.4Å; L53-V60 HydrophobicContact CG-CB 4.49Å; L53-V60 PolarHBondContact N-O 2.77Å; L53-V60 PolarHBondContact O-N 2.82Å; V60-M72 CarbonylContact C-O 3.56Å; V60-M72 VanDerWaalsContact CA-O 3.31Å; V60-M72 WeakPolarHBondContact CA-O 3.2Å; V60-V73 HydrophobicContact CG2-CG2 4.24Å
61N94.6Very high91.3Very high0 Ų024.1 Ų24.10%015%0.154CC..EExtended strand (participates in β ladder)trans-109.7141.5175.3-60.5-71.4000108.9C51 T52 L71 M72 C74 A83 F84 L87C51-N61 WeakPolarHBondContact O-CA 3.46Å; T52-N61 VanDerWaalsContact CB-OD1 3.3Å; T52-N61 WeakPolarHBondContact CB-OD1 3.31Å; T52-N61 WeakPolarHBondContact CG2-OD1 3.42Å; T52-N61 PolarHBondContact OG1-OD1 2.81Å; N61-L71 WeakPolarHBondContact O-CA 3.47Å; N61-M72 HydrophobicContact CB-CG 3.72Å; N61-M72 HydrophobicContact CB-SD 4.08Å; N61-M72 PolarHBondContact N-O 2.72Å; N61-M72 WeakPolarHBondContact O-CG 3.45Å; N61-M72 PolarHBondContact O-N 3.34Å; N61-C74 PolarHBondContact ND2-SG 2.94Å; N61-C74 VanDerWaalsContact ND2-SG 3.41Å; N61-A83 HydrophobicContact CB-CB 4.41Å; N61-F84 HydrophobicContact CB-CE1 4.31Å; N61-F84 HydrophobicContact CB-CZ 4.14Å; N61-L87 HydrophobicContact CB-CD1 4.05Å
62F95.1Very high91.5Very high0 Ų024.1 Ų24.10%015%0.154CC..EExtended strand (participates in β ladder)trans-144153.7172.167.2-96.6000112.7L40 L44 F47 R50 C51 Y64 Y70 L71 L153L40-F62 HydrophobicContact CD1-CE1 4.22Å; L40-F62 HydrophobicContact CD2-CD1 3.92Å; L40-F62 HydrophobicContact CD2-CE1 3.75Å; L40-F62 HydrophobicContact CG-CE1 4.25Å; L44-F62 HydrophobicContact CD2-CD1 4.24Å; L44-F62 HydrophobicContact CD2-CD2 3.73Å; L44-F62 HydrophobicContact CD2-CE1 4.15Å; L44-F62 HydrophobicContact CD2-CE2 3.67Å; L44-F62 HydrophobicContact CD2-CG 4.01Å; L44-F62 HydrophobicContact CD2-CZ 3.86Å; F47-F62 HydrophobicContact CB-CE2 4.39Å; F47-F62 HydrophobicContact CB-CZ 3.94Å; F47-F62 HydrophobicContact CD2-CZ 4.4Å; F47-F62 HydrophobicContact CG-CZ 4.41Å; R50-F62 WeakPolarHBondContact CA-O 3.47Å; C51-F62 HydrophobicContact CB-CD1 4Å; C51-F62 HydrophobicContact CB-CD2 4.31Å; C51-F62 HydrophobicContact CB-CE1 3.41Å; C51-F62 VanDerWaalsContact CB-CE1 3.41Å; C51-F62 HydrophobicContact CB-CE2 3.74Å; C51-F62 HydrophobicContact CB-CG 4.44Å; C51-F62 HydrophobicContact CB-CZ 3.27Å; C51-F62 PolarHBondContact N-O 2.87Å; C51-F62 PolarHBondContact O-N 2.75Å; C51-F62 WeakPolarHBondContact SG-CZ 3.47Å; F62-Y64 HydrophobicContact CD2-CD1 4.43Å; F62-Y64 HydrophobicContact CE2-CD1 4.29Å; F62-Y70 CarbonylContact C-O 3.54Å; F62-Y70 WeakPolarHBondContact CA-O 3.48Å; F62-Y70 VanDerWaalsContact CB-O 3.31Å; F62-Y70 WeakPolarHBondContact CB-O 3.3Å; F62-L71 HydrophobicContact CB-CB 4.27Å; F62-L71 HydrophobicContact CB-CD2 4.27Å; F62-L71 HydrophobicContact CB-CG 3.82Å; F62-L153 HydrophobicContact CE1-CD1 3.49Å; F62-L153 VanDerWaalsContact CE1-CD1 3.49Å; F62-L153 HydrophobicContact CZ-CD1 3.94Å
63I93.9Very high91.6Very high13 Ų1324.1 Ų24.17%0.06715%0.153CC..EExtended strand (participates in β ladder)trans-128.3158163.666.5-179.8000109.4D49 R50 Y70 F84 L87 Q91D49-I63 CarbonylContact O-C 3.55Å; D49-I63 WeakPolarHBondContact O-CA 3.47Å; D49-I63 WeakPolarHBondContact O-CB 3.44Å; R50-I63 HydrophobicContact CB-CG2 4.35Å; R50-I63 HydrophobicContact CG-CG2 4.22Å; I63-Y70 HydrophobicContact CG1-CD2 4.07Å; I63-Y70 HydrophobicContact CG1-CG 4.43Å; I63-Y70 PolarHBondContact N-O 3.49Å; I63-Y70 PolarHBondContact O-N 3.17Å; I63-F84 HydrophobicContact CG2-CD1 3.72Å; I63-F84 HydrophobicContact CG2-CE1 3.94Å; I63-L87 HydrophobicContact CD1-CB 3.7Å; I63-L87 HydrophobicContact CG1-CB 3.93Å; I63-L87 HydrophobicContact CG1-CD1 4.48Å; I63-L87 HydrophobicContact CG2-CD1 4.16Å; I63-Q91 HydrophobicContact CD1-CB 4.23Å
64Y91.6Very high91.7Very high12 Ų1223.9 Ų23.95%0.04715%0.152CC..EExtended strand (participates in β ladder)trans-140.3144.6167.666.9-102.4000111.9V12 L44 F47 P48 D49 F62 V68V12-Y64 HydrophobicContact CG2-CD2 4.34Å; V12-Y64 HydrophobicContact CG2-CG 4.14Å; L44-Y64 HydrophobicContact CB-CD1 4.41Å; L44-Y64 VanDerWaalsContact O-CE1 3.32Å; L44-Y64 WeakPolarHBondContact O-CE1 3.18Å; F47-Y64 WeakPolarHBondContact O-CE1 3.42Å; F47-Y64 PolarHBondContact O-OH 2.91Å; P48-Y64 VanDerWaalsContact O-CE1 3.28Å; P48-Y64 WeakPolarHBondContact O-CE1 3.35Å; D49-Y64 VanDerWaalsContact CA-CE1 3.45Å; D49-Y64 HydrophobicContact CB-CD2 4.41Å; D49-Y64 HydrophobicContact CB-CE1 4.29Å; D49-Y64 HydrophobicContact CB-CE2 4.1Å; D49-Y64 PolarHBondContact O-N 2.81Å; D49-Y64 VanDerWaalsContact O-N 3.14Å; F62-Y64 HydrophobicContact CD2-CD1 4.43Å; F62-Y64 HydrophobicContact CE2-CD1 4.29Å; Y64-V68 CarbonylContact C-O 3.51Å; Y64-V68 VanDerWaalsContact CA-O 3.22Å; Y64-V68 WeakPolarHBondContact CA-O 3.42Å; Y64-V68 WeakPolarHBondContact CB-O 3.41Å
65S86.9Confident92Very high33 Ų3318 Ų1823%0.23113%0.128CC..EExtended strand (participates in β ladder)trans-159.7161.5176.3-171.50000109.1G67 V68 Q91S65-G67 PolarHBondContact O-N 3.41Å; S65-V68 PolarHBondContact N-O 2.75Å; S65-V68 CarbonylContact O-C 3.52Å; S65-V68 WeakPolarHBondContact O-CA 3.29Å; S65-V68 PolarHBondContact O-N 3.38Å; S65-Q91 VanDerWaalsContact CB-NE2 3.33Å
66L86.7Confident92.3Very high79 Ų7918.7 Ų18.741%0.41414%0.139SC..THydrogen-bonded Turntrans47.229.9-175.2-56.9-171.8000115.5V68 I95 P177L66-V68 PolarHBondContact O-N 3.36Å; L66-I95 HydrophobicContact CD1-CD1 3.78Å; L66-I95 HydrophobicContact CD1-CG1 4.07Å; L66-I95 HydrophobicContact CD1-CG2 4Å; L66-I95 HydrophobicContact CG-CD1 4.29Å; L66-P177 VanDerWaalsContact C-CG 3.49Å; L66-P177 HydrophobicContact CB-CG 4.32Å; L66-P177 HydrophobicContact CD2-CB 3.49Å; L66-P177 VanDerWaalsContact CD2-CB 3.49Å; L66-P177 HydrophobicContact CD2-CG 3.92Å
67G87.9Confident92.6Very high29 Ų2920.3 Ų20.330%0.29913%0.13SC..THydrogen-bonded Turntrans77.210.1-177.700000113.8V12 S65 P177V12-G67 PolarHBondContact N-O 2.89Å; S65-G67 PolarHBondContact O-N 3.41Å; G67-P177 VanDerWaalsContact N-CG 3.33Å
68V95.3Very high92.8Very high3 Ų317.1 Ų17.12%0.01811%0.108CC..EExtended strand (participates in β ladder)trans-119.4130.7-178.6-176.60000109.6V9 V10 L18 Y64 S65 L66 Y70 F94 I103V9-V68 HydrophobicContact CG1-CG1 3.37Å; V10-V68 CarbonylContact O-C 3.59Å; V10-V68 WeakPolarHBondContact O-CA 3.33Å; L18-V68 HydrophobicContact CD1-CG1 4.09Å; L18-V68 HydrophobicContact CD1-CG2 4.33Å; Y64-V68 CarbonylContact C-O 3.51Å; Y64-V68 VanDerWaalsContact CA-O 3.22Å; Y64-V68 WeakPolarHBondContact CA-O 3.42Å; Y64-V68 WeakPolarHBondContact CB-O 3.41Å; S65-V68 PolarHBondContact N-O 2.75Å; S65-V68 CarbonylContact O-C 3.52Å; S65-V68 WeakPolarHBondContact O-CA 3.29Å; S65-V68 PolarHBondContact O-N 3.38Å; L66-V68 PolarHBondContact O-N 3.36Å; V68-Y70 HydrophobicContact CB-CE2 4.1Å; V68-Y70 HydrophobicContact CG1-CE1 3.98Å; V68-Y70 HydrophobicContact CG1-CE2 3.9Å; V68-F94 HydrophobicContact CG1-CD1 4.12Å; V68-F94 HydrophobicContact CG1-CE1 4Å; V68-F94 HydrophobicContact CG2-CE1 4.26Å; V68-I103 HydrophobicContact CG2-CD1 4.4Å; V68-I103 HydrophobicContact CG2-CG2 3.82Å
69G96Very high92.8Very high0 Ų019.6 Ų19.60%013%0.125CC..EExtended strand (participates in β ladder)trans-101.3137.6174.800000110.9V9 V10V9-G69 CarbonylContact C-O 3.57Å; V9-G69 WeakPolarHBondContact CA-O 3.3Å; V10-G69 PolarHBondContact N-O 3.1Å; V10-G69 PolarHBondContact O-N 3.49Å
70Y97.4Very high92.6Very high0 Ų021.9 Ų21.90%014%0.137CC..EExtended strand (participates in β ladder)trans-118.1115.4177.7-53.3-90.7000107.2V9 F62 I63 V68 L90 Q91 F94V9-Y70 HydrophobicContact CG1-CD1 4.09Å; V9-Y70 HydrophobicContact CG1-CE1 3.89Å; V9-Y70 HydrophobicContact CG2-CD1 3.99Å; V9-Y70 HydrophobicContact CG2-CE1 4.31Å; F62-Y70 CarbonylContact C-O 3.54Å; F62-Y70 WeakPolarHBondContact CA-O 3.48Å; F62-Y70 VanDerWaalsContact CB-O 3.31Å; F62-Y70 WeakPolarHBondContact CB-O 3.3Å; I63-Y70 HydrophobicContact CG1-CD2 4.07Å; I63-Y70 HydrophobicContact CG1-CG 4.43Å; I63-Y70 PolarHBondContact N-O 3.49Å; I63-Y70 PolarHBondContact O-N 3.17Å; V68-Y70 HydrophobicContact CB-CE2 4.1Å; V68-Y70 HydrophobicContact CG1-CE1 3.98Å; V68-Y70 HydrophobicContact CG1-CE2 3.9Å; Y70-L90 HydrophobicContact CD1-CB 4.08Å; Y70-Q91 HydrophobicContact CD1-CB 4.41Å; Y70-Q91 HydrophobicContact CD2-CB 3.97Å; Y70-Q91 HydrophobicContact CD2-CG 4.26Å; Y70-Q91 VanDerWaalsContact CE1-CA 3.5Å; Y70-Q91 HydrophobicContact CE1-CB 4.19Å; Y70-Q91 HydrophobicContact CE2-CB 3.71Å; Y70-Q91 HydrophobicContact CE2-CG 3.64Å; Y70-Q91 HydrophobicContact CG-CB 4.31Å; Y70-Q91 VanDerWaalsContact CZ-CA 3.47Å; Y70-F94 HydrophobicContact CE1-CB 3.76Å; Y70-F94 HydrophobicContact CE1-CD1 4.32Å; Y70-F94 HydrophobicContact CE1-CG 4.1Å
71L96.3Very high92.4Very high0 Ų023.2 Ų23.20%015%0.146CC..EExtended strand (participates in β ladder)trans-118.6144.3-175.8-55.192.6000109.3A7 S8 V10 L37 L44 N61 F62A7-L71 CarbonylContact C-O 3.57Å; A7-L71 VanDerWaalsContact CA-O 3.25Å; A7-L71 WeakPolarHBondContact CA-O 3.44Å; S8-L71 PolarHBondContact N-O 3.37Å; S8-L71 PolarHBondContact O-N 3.1Å; V10-L71 HydrophobicContact CB-CD1 4.31Å; V10-L71 HydrophobicContact CG1-CD1 3.86Å; V10-L71 HydrophobicContact CG2-CD1 3.51Å; L37-L71 HydrophobicContact CD1-CB 3.99Å; L37-L71 HydrophobicContact CD1-CD2 4.32Å; L37-L71 HydrophobicContact CD2-CB 4.35Å; L37-L71 HydrophobicContact CD2-CD2 3.95Å; L37-L71 HydrophobicContact CG-CB 4.31Å; L37-L71 HydrophobicContact CG-CD2 3.77Å; L44-L71 HydrophobicContact CD1-CD1 4.21Å; L44-L71 HydrophobicContact CD2-CD2 4.26Å; N61-L71 WeakPolarHBondContact O-CA 3.47Å; F62-L71 HydrophobicContact CB-CB 4.27Å; F62-L71 HydrophobicContact CB-CD2 4.27Å; F62-L71 HydrophobicContact CB-CG 3.82Å
72M95.1Very high92.3Very high0 Ų024.9 Ų24.90%015%0.154CC..EExtended strand (participates in β ladder)trans-135.5149.6171.866.7177.9-68.300110.7V4 F6 V60 N61 C74 Y78 A83 F86 L87V4-M72 HydrophobicContact CB-CE 4.45Å; V4-M72 HydrophobicContact CG1-CE 4.1Å; V4-M72 HydrophobicContact CG2-CE 3.74Å; F6-M72 CarbonylContact O-C 3.38Å; F6-M72 VanDerWaalsContact O-CA 3.29Å; F6-M72 WeakPolarHBondContact O-CA 3.29Å; V60-M72 CarbonylContact C-O 3.56Å; V60-M72 VanDerWaalsContact CA-O 3.31Å; V60-M72 WeakPolarHBondContact CA-O 3.2Å; N61-M72 HydrophobicContact CB-CG 3.72Å; N61-M72 HydrophobicContact CB-SD 4.08Å; N61-M72 PolarHBondContact N-O 2.72Å; N61-M72 WeakPolarHBondContact O-CG 3.45Å; N61-M72 PolarHBondContact O-N 3.34Å; M72-C74 HydrophobicContact CE-CB 3.86Å; M72-Y78 HydrophobicContact CE-CD1 4.42Å; M72-Y78 HydrophobicContact CE-CE1 4.31Å; M72-A83 HydrophobicContact CE-CB 3.81Å; M72-A83 VanDerWaalsContact SD-CA 3.51Å; M72-A83 HydrophobicContact SD-CB 3.53Å; M72-A83 VanDerWaalsContact SD-CB 3.53Å; M72-F86 HydrophobicContact CB-CD1 4.18Å; M72-F86 HydrophobicContact CB-CE1 4.03Å; M72-F86 HydrophobicContact CE-CD1 4.22Å; M72-F86 HydrophobicContact SD-CD1 3.85Å; M72-L87 HydrophobicContact CB-CD2 3.87Å; M72-L87 HydrophobicContact CG-CD1 4.06Å; M72-L87 HydrophobicContact CG-CD2 3.85Å; M72-L87 HydrophobicContact CG-CG 4Å; M72-L87 HydrophobicContact SD-CD1 4.04Å; M72-L87 HydrophobicContact SD-CD2 4.14Å; M72-L87 HydrophobicContact SD-CG 3.74Å
73V94.6Very high92.2Very high0 Ų024.9 Ų24.90%015%0.154CC..EExtended strand (participates in β ladder)trans-114.7129.7166.9-172.40000107.5L5 F6 L30 T33 L37 Y58 N59 V60L5-V73 PolarHBondContact N-O 3.26Å; F6-V73 HydrophobicContact CB-CB 4.12Å; F6-V73 HydrophobicContact CB-CG2 4.23Å; F6-V73 HydrophobicContact CD1-CG2 4.03Å; F6-V73 PolarHBondContact N-O 2.63Å; F6-V73 PolarHBondContact O-N 3.41Å; L30-V73 HydrophobicContact CD1-CB 4.41Å; L30-V73 HydrophobicContact CD1-CG1 3.7Å; T33-V73 HydrophobicContact CG2-CG1 3.86Å; T33-V73 HydrophobicContact CG2-CG2 4.34Å; L37-V73 HydrophobicContact CD1-CG2 3.51Å; Y58-V73 HydrophobicContact CG-CG1 4.39Å; N59-V73 WeakPolarHBondContact O-CA 3.5Å; V60-V73 HydrophobicContact CG2-CG2 4.24Å
74C93.8Very high92.1Very high0 Ų024.4 Ų24.40%015%0.152CC..EExtended strand (participates in β ladder)trans-136.8168.2176.156.60000110.8M3 Y58 N59 N61 M72 Y78M3-C74 CarbonylContact O-C 3.59Å; M3-C74 VanDerWaalsContact O-CA 3.25Å; M3-C74 WeakPolarHBondContact O-CA 3.24Å; M3-C74 VanDerWaalsContact O-CB 3.3Å; M3-C74 WeakPolarHBondContact O-CB 3.46Å; Y58-C74 CarbonylContact C-O 3.55Å; Y58-C74 VanDerWaalsContact CA-O 3.25Å; Y58-C74 WeakPolarHBondContact CA-O 3.41Å; Y58-C74 WeakPolarHBondContact CB-O 3.46Å; N59-C74 PolarHBondContact N-O 2.93Å; N59-C74 PolarHBondContact O-N 2.91Å; N61-C74 PolarHBondContact ND2-SG 2.94Å; N61-C74 VanDerWaalsContact ND2-SG 3.41Å; M72-C74 HydrophobicContact CE-CB 3.86Å; C74-Y78 HydrophobicContact CB-CD1 4.17Å; C74-Y78 HydrophobicContact CB-CD2 4.31Å; C74-Y78 HydrophobicContact CB-CG 3.81Å
75T93.2Very high92.1Very high16 Ų1624.2 Ų24.210%0.09815%0.152CC..EExtended strand (participates in β ladder)trans-63.7151.1173.5560000111.2S2 M3 L5 N77 Y78S2-T75 WeakPolarHBondContact CA-OG1 3.34Å; M3-T75 HydrophobicContact CE-CG2 4.29Å; M3-T75 HydrophobicContact CG-CG2 3.77Å; M3-T75 PolarHBondContact N-OG1 2.93Å; M3-T75 PolarHBondContact O-N 3.01Å; L5-T75 HydrophobicContact CD1-CG2 4.15Å; L5-T75 HydrophobicContact CG-CG2 4.49Å; T75-N77 WeakPolarHBondContact CB-OD1 3.32Å; T75-N77 PolarHBondContact O-N 3.28Å; T75-N77 PolarHBondContact OG1-OD1 2.72Å; T75-Y78 VanDerWaalsContact O-CB 3.25Å; T75-Y78 WeakPolarHBondContact O-CB 3.48Å; T75-Y78 PolarHBondContact O-N 2.92Å
76G90.3Very high92.5Very high38 Ų3822.6 Ų22.639%0.39214%0.141SC..THydrogen-bonded Turntrans-58.4-23.5-174.900000115P57 N59P57-G76 PolarHBondContact O-N 3.19Å; N59-G76 WeakPolarHBondContact ND2-CA 3.28Å; N59-G76 PolarHBondContact ND2-O 2.97Å
77N91.2Very high92.9Very high108 Ų10818.9 Ų18.958%0.57812%0.121SC*.THydrogen-bonded Turntrans-94.66.9177.265.8-8.4000114.3T75T75-N77 WeakPolarHBondContact CB-OD1 3.32Å; T75-N77 PolarHBondContact O-N 3.28Å; T75-N77 PolarHBondContact OG1-OD1 2.72Å
78Y92.6Very high93.2Very high7 Ų719.4 Ų19.43%0.02712%0.117CC..SBendtrans-68.9130.7179.3-162.8-93000111S2 V4 M72 C74 T75 N80 L82 A83 Y126S2-Y78 WeakPolarHBondContact OG-CA 3.31Å; S2-Y78 WeakPolarHBondContact OG-CD2 2.87Å; V4-Y78 HydrophobicContact CG2-CE1 4Å; V4-Y78 HydrophobicContact CG2-CE2 3.81Å; M72-Y78 HydrophobicContact CE-CD1 4.42Å; M72-Y78 HydrophobicContact CE-CE1 4.31Å; C74-Y78 HydrophobicContact CB-CD1 4.17Å; C74-Y78 HydrophobicContact CB-CD2 4.31Å; C74-Y78 HydrophobicContact CB-CG 3.81Å; T75-Y78 VanDerWaalsContact O-CB 3.25Å; T75-Y78 WeakPolarHBondContact O-CB 3.48Å; T75-Y78 PolarHBondContact O-N 2.92Å; Y78-N80 PolarHBondContact O-N 3.35Å; Y78-L82 HydrophobicContact CD1-CB 4.42Å; Y78-L82 HydrophobicContact CE1-CB 3.55Å; Y78-A83 HydrophobicContact CD1-CB 4.06Å; Y78-A83 HydrophobicContact CE1-CB 4.27Å; Y78-Y126 PolarHBondContact OH-O 2.81Å
79P90.4Very high93.1Very high59 Ų5921.7 Ų21.738%0.38313%0.128SC..  trans-61.3126-178.2-24.133.9000112.3S2 V81 L82 A83S2-P79 WeakPolarHBondContact OG-CD 3.19Å; P79-V81 PolarHBondContact O-N 3.41Å; P79-L82 HydrophobicContact CB-CB 4.31Å; P79-L82 HydrophobicContact CB-CD1 4.14Å; P79-L82 HydrophobicContact CB-CG 4.05Å; P79-L82 HydrophobicContact CG-CD1 3.94Å; P79-L82 HydrophobicContact CG-CG 4.4Å; P79-L82 PolarHBondContact O-N 2.58Å; P79-A83 PolarHBondContact O-N 2.89Å
80N89.1Confident93.1Very high60 Ų6021.7 Ų21.732%0.32113%0.128SC..Hα-helixtrans-56.9-38.2-179.9-77.8-24.7000112.6Y78 L82 A83 F84Y78-N80 PolarHBondContact O-N 3.35Å; N80-L82 VanDerWaalsContact C-N 3.31Å; N80-L82 PolarHBondContact O-N 3.18Å; N80-A83 WeakPolarHBondContact O-CB 3.38Å; N80-A83 PolarHBondContact O-N 3.24Å; N80-A83 VanDerWaalsContact O-N 3.16Å; N80-F84 HydrophobicContact CB-CE2 4.49Å; N80-F84 WeakPolarHBondContact O-CD2 3.16Å; N80-F84 PolarHBondContact O-N 3.07Å
81V88.8Confident93Very high31 Ų3123.3 Ų23.319%0.18814%0.135CC..Hα-helixtrans-57.2-46.8176.8-176.40000110.9P79 A83 F84 C85 L138 M141 Q142 I145P79-V81 PolarHBondContact O-N 3.41Å; V81-A83 VanDerWaalsContact C-N 3.33Å; V81-A83 PolarHBondContact O-N 3.2Å; V81-F84 PolarHBondContact O-N 3.12Å; V81-C85 PolarHBondContact O-N 3.03Å; V81-C85 PolarHBondContact O-SG 3.35Å; V81-L138 HydrophobicContact CG1-CD2 4.29Å; V81-M141 HydrophobicContact CG1-CB 4.07Å; V81-M141 HydrophobicContact CG1-CG 4.02Å; V81-Q142 HydrophobicContact CG1-CB 4.35Å; V81-Q142 HydrophobicContact CG2-CB 4.42Å; V81-I145 VanDerWaalsContact CA-CD1 3.48Å; V81-I145 HydrophobicContact CB-CD1 4.15Å; V81-I145 HydrophobicContact CG1-CD1 4.48Å; V81-I145 HydrophobicContact CG2-CD1 3.95Å
82L91.5Very high92.8Very high34 Ų3428.8 Ų28.818%0.17816%0.159CC..Hα-helixtrans-67.6-35.5178.3-62.8-176000112.2Y78 P79 N80 C85 F86 Y126 L132 L138Y78-L82 HydrophobicContact CD1-CB 4.42Å; Y78-L82 HydrophobicContact CE1-CB 3.55Å; P79-L82 HydrophobicContact CB-CB 4.31Å; P79-L82 HydrophobicContact CB-CD1 4.14Å; P79-L82 HydrophobicContact CB-CG 4.05Å; P79-L82 HydrophobicContact CG-CD1 3.94Å; P79-L82 HydrophobicContact CG-CG 4.4Å; P79-L82 PolarHBondContact O-N 2.58Å; N80-L82 VanDerWaalsContact C-N 3.31Å; N80-L82 PolarHBondContact O-N 3.18Å; L82-C85 PolarHBondContact O-N 3.46Å; L82-F86 WeakPolarHBondContact O-CB 3.22Å; L82-F86 PolarHBondContact O-N 3.12Å; L82-Y126 HydrophobicContact CB-CD1 4.5Å; L82-Y126 WeakPolarHBondContact O-CE1 3.39Å; L82-L132 HydrophobicContact CD1-CD2 4.2Å; L82-L132 HydrophobicContact CD2-CD2 3.6Å; L82-L132 HydrophobicContact CG-CD2 4.46Å; L82-L138 HydrophobicContact CD2-CD2 3.53Å
83A93.8Very high92.8Very high0 Ų032.1 Ų32.10%018%0.175CC..Hα-helixtrans-60.7-48.9176.800000111.3N61 M72 Y78 P79 N80 V81 F86 L87N61-A83 HydrophobicContact CB-CB 4.41Å; M72-A83 HydrophobicContact CE-CB 3.81Å; M72-A83 VanDerWaalsContact SD-CA 3.51Å; M72-A83 HydrophobicContact SD-CB 3.53Å; M72-A83 VanDerWaalsContact SD-CB 3.53Å; Y78-A83 HydrophobicContact CD1-CB 4.06Å; Y78-A83 HydrophobicContact CE1-CB 4.27Å; P79-A83 PolarHBondContact O-N 2.89Å; N80-A83 WeakPolarHBondContact O-CB 3.38Å; N80-A83 PolarHBondContact O-N 3.24Å; N80-A83 VanDerWaalsContact O-N 3.16Å; V81-A83 VanDerWaalsContact C-N 3.33Å; V81-A83 PolarHBondContact O-N 3.2Å; A83-F86 WeakPolarHBondContact O-CB 3.25Å; A83-F86 PolarHBondContact O-N 2.88Å; A83-L87 WeakPolarHBondContact O-CG 3.45Å; A83-L87 PolarHBondContact O-N 3.23Å; A83-L87 VanDerWaalsContact O-N 3.1Å
84F92.6Very high92.9Very high3 Ų332.1 Ų32.11%0.01318%0.175CC..Hα-helixtrans-73.4-31.4179.5-68.5-68.7000113R50 N61 I63 N80 V81 F86 L87 D88 M141 I145 P150R50-F84 HydrophobicContact CG-CD1 3.83Å; R50-F84 HydrophobicContact CG-CE1 3.38Å; R50-F84 HydrophobicContact CG-CZ 3.83Å; N61-F84 HydrophobicContact CB-CE1 4.31Å; N61-F84 HydrophobicContact CB-CZ 4.14Å; I63-F84 HydrophobicContact CG2-CD1 3.72Å; I63-F84 HydrophobicContact CG2-CE1 3.94Å; N80-F84 HydrophobicContact CB-CE2 4.49Å; N80-F84 WeakPolarHBondContact O-CD2 3.16Å; N80-F84 PolarHBondContact O-N 3.07Å; V81-F84 PolarHBondContact O-N 3.12Å; F84-F86 VanDerWaalsContact C-N 3.33Å; F84-F86 PolarHBondContact O-N 3.24Å; F84-L87 HydrophobicContact CD1-CD1 4.05Å; F84-L87 HydrophobicContact CE1-CD1 4.19Å; F84-L87 PolarHBondContact O-N 2.79Å; F84-D88 VanDerWaalsContact O-CB 3.3Å; F84-D88 WeakPolarHBondContact O-CB 3.07Å; F84-D88 PolarHBondContact O-N 3.14Å; F84-M141 HydrophobicContact CB-SD 3.89Å; F84-I145 HydrophobicContact CB-CD1 4.21Å; F84-I145 HydrophobicContact CD2-CD1 3.91Å; F84-I145 HydrophobicContact CD2-CG1 4.42Å; F84-I145 HydrophobicContact CG-CD1 4.45Å; F84-P150 HydrophobicContact CE1-CB 4.42Å; F84-P150 HydrophobicContact CE2-CB 3.68Å; F84-P150 HydrophobicContact CE2-CG 3.7Å; F84-P150 HydrophobicContact CZ-CB 3.44Å; F84-P150 VanDerWaalsContact CZ-CB 3.44Å; F84-P150 HydrophobicContact CZ-CG 4Å
85C91.4Very high92.7Very high8 Ų835.1 Ų35.15%0.05419%0.19CC..Hα-helixtrans-60.8-43.7169.8-71.80000111.6V81 L82 L87 D88 E89 Y126 I136 M141V81-C85 PolarHBondContact O-N 3.03Å; V81-C85 PolarHBondContact O-SG 3.35Å; L82-C85 PolarHBondContact O-N 3.46Å; C85-L87 PolarHBondContact O-N 2.95Å; C85-D88 PolarHBondContact O-N 3.27Å; C85-E89 PolarHBondContact O-N 3.1Å; C85-Y126 VanDerWaalsContact C-OH 3.29Å; C85-Y126 HydrophobicContact CB-CE1 3.8Å; C85-Y126 WeakPolarHBondContact CB-OH 3.29Å; C85-Y126 PolarHBondContact O-OH 3.2Å; C85-I136 HydrophobicContact CB-CG2 4.25Å; C85-M141 HydrophobicContact CB-SD 4.25Å; C85-M141 PolarHBondContact N-SD 3.45Å; C85-M141 VanDerWaalsContact N-SD 3.35Å; C85-M141 VanDerWaalsContact SG-CB 3.5Å; C85-M141 WeakPolarHBondContact SG-CG 3.45Å
86F94.3Very high92.7Very high0 Ų040.9 Ų40.90%022%0.219CC..Hα-helixtrans-59-48176.8171.6-92000111.1V4 A7 M72 L82 A83 F84 E89 L90 T122 K123 Y126V4-F86 HydrophobicContact CG1-CE1 4.27Å; V4-F86 HydrophobicContact CG1-CE2 4.41Å; V4-F86 HydrophobicContact CG1-CZ 4.13Å; A7-F86 HydrophobicContact CB-CE1 3.72Å; A7-F86 HydrophobicContact CB-CZ 3.75Å; M72-F86 HydrophobicContact CB-CD1 4.18Å; M72-F86 HydrophobicContact CB-CE1 4.03Å; M72-F86 HydrophobicContact CE-CD1 4.22Å; M72-F86 HydrophobicContact SD-CD1 3.85Å; L82-F86 WeakPolarHBondContact O-CB 3.22Å; L82-F86 PolarHBondContact O-N 3.12Å; A83-F86 WeakPolarHBondContact O-CB 3.25Å; A83-F86 PolarHBondContact O-N 2.88Å; F84-F86 VanDerWaalsContact C-N 3.33Å; F84-F86 PolarHBondContact O-N 3.24Å; F86-E89 PolarHBondContact O-N 3.1Å; F86-L90 HydrophobicContact CD1-CD1 4.22Å; F86-L90 HydrophobicContact CE1-CD1 3.47Å; F86-L90 VanDerWaalsContact CE1-CD1 3.47Å; F86-L90 HydrophobicContact CE1-CG 4.1Å; F86-L90 HydrophobicContact CZ-CD1 3.73Å; F86-L90 HydrophobicContact CZ-CD2 4.39Å; F86-L90 HydrophobicContact CZ-CG 4.18Å; F86-L90 WeakPolarHBondContact O-CG 3.5Å; F86-L90 PolarHBondContact O-N 2.85Å; F86-L90 VanDerWaalsContact O-N 3.1Å; F86-T122 HydrophobicContact CD2-CG2 3.65Å; F86-T122 HydrophobicContact CE2-CG2 3.66Å; F86-K123 HydrophobicContact CE2-CB 4.14Å; F86-Y126 HydrophobicContact CB-CD1 3.81Å; F86-Y126 HydrophobicContact CB-CD2 4.29Å; F86-Y126 HydrophobicContact CB-CE1 3.86Å; F86-Y126 HydrophobicContact CB-CE2 4.29Å; F86-Y126 HydrophobicContact CB-CG 4.02Å; F86-Y126 HydrophobicContact CD2-CD1 4.46Å; F86-Y126 AromaticContact CD2-CD2 3.72Å; F86-Y126 HydrophobicContact CD2-CD2 3.72Å; F86-Y126 HydrophobicContact CD2-CE2 4.24Å; F86-Y126 AromaticContact CD2-CG 3.8Å; F86-Y126 HydrophobicContact CD2-CG 3.8Å; F86-Y126 HydrophobicContact CG-CG 4.4Å
87L95.7Very high92.9Very high0 Ų042.2 Ų42.20%022%0.22CC..Hα-helixtrans-65.3-39.7179.1-68.5175.5000112.9N61 I63 M72 A83 F84 C85 E89 L90 Q91N61-L87 HydrophobicContact CB-CD1 4.05Å; I63-L87 HydrophobicContact CD1-CB 3.7Å; I63-L87 HydrophobicContact CG1-CB 3.93Å; I63-L87 HydrophobicContact CG1-CD1 4.48Å; I63-L87 HydrophobicContact CG2-CD1 4.16Å; M72-L87 HydrophobicContact CB-CD2 3.87Å; M72-L87 HydrophobicContact CG-CD1 4.06Å; M72-L87 HydrophobicContact CG-CD2 3.85Å; M72-L87 HydrophobicContact CG-CG 4Å; M72-L87 HydrophobicContact SD-CD1 4.04Å; M72-L87 HydrophobicContact SD-CD2 4.14Å; M72-L87 HydrophobicContact SD-CG 3.74Å; A83-L87 WeakPolarHBondContact O-CG 3.45Å; A83-L87 PolarHBondContact O-N 3.23Å; A83-L87 VanDerWaalsContact O-N 3.1Å; F84-L87 HydrophobicContact CD1-CD1 4.05Å; F84-L87 HydrophobicContact CE1-CD1 4.19Å; F84-L87 PolarHBondContact O-N 2.79Å; C85-L87 PolarHBondContact O-N 2.95Å; L87-E89 VanDerWaalsContact C-N 3.33Å; L87-L90 PolarHBondContact O-N 3.26Å; L87-Q91 WeakPolarHBondContact O-CB 3.49Å; L87-Q91 PolarHBondContact O-N 3.48Å
88D93.3Very high93Very high40 Ų4038.2 Ų38.221%0.21420%0.197CC..Hα-helixtrans-63.4-39176.8-177.751.9000111.6F84 C85 Q91 K92F84-D88 VanDerWaalsContact O-CB 3.3Å; F84-D88 WeakPolarHBondContact O-CB 3.07Å; F84-D88 PolarHBondContact O-N 3.14Å; C85-D88 PolarHBondContact O-N 3.27Å; D88-Q91 PolarHBondContact O-N 2.92Å; D88-K92 WeakPolarHBondContact O-CG 3.23Å; D88-K92 PolarHBondContact O-N 2.68Å; D88-K92 WeakPolarHBondContact OD1-CE 3.36Å; D88-K92 IonicContact OD1-NZ 3.71Å; D88-K92 WeakPolarHBondContact OD2-CE 3.32Å; D88-K92 IonicContact OD2-NZ 2.94Å; D88-K92 PolarHBondContact OD2-NZ 3Å
89E93.8Very high92.8Very high52 Ų5242.4 Ų42.424%0.24322%0.219CC..Hα-helixtrans-67.5-41175.1-165.4174.5165.100112.5C85 F86 L87 Q91 E93 F118 R125 Y126C85-E89 PolarHBondContact O-N 3.1Å; F86-E89 PolarHBondContact O-N 3.1Å; L87-E89 VanDerWaalsContact C-N 3.33Å; E89-Q91 VanDerWaalsContact C-N 3.29Å; E89-Q91 PolarHBondContact O-N 2.95Å; E89-E93 PolarHBondContact O-N 2.8Å; E89-E93 VanDerWaalsContact O-N 3.11Å; E89-F118 HydrophobicContact CG-CZ 4.19Å; E89-R125 IonicContact OE1-CZ 3.87Å; E89-R125 IonicContact OE1-NH1 2.77Å; E89-R125 IonicContact OE1-NH2 2.75Å; E89-R125 PolarHBondContact OE1-NH2 3.33Å; E89-R125 IonicContact OE2-CZ 2.92Å; E89-R125 IonicContact OE2-NH2 2.72Å; E89-R125 PolarHBondContact OE2-NH2 2.93Å; E89-Y126 VanDerWaalsContact OE2-CE2 3.29Å; E89-Y126 WeakPolarHBondContact OE2-CE2 3.26Å; E89-Y126 PolarHBondContact OE2-OH 3.47Å
90L95.9Very high92.7Very high0 Ų043 Ų430%023%0.225CC..Hα-helixtrans-60.9-40.6171.8-65.7-170000111.7A7 Y70 F86 L87 F94 F115 F118 I119 T122A7-L90 HydrophobicContact CB-CD1 4.13Å; Y70-L90 HydrophobicContact CD1-CB 4.08Å; F86-L90 HydrophobicContact CD1-CD1 4.22Å; F86-L90 HydrophobicContact CE1-CD1 3.47Å; F86-L90 VanDerWaalsContact CE1-CD1 3.47Å; F86-L90 HydrophobicContact CE1-CG 4.1Å; F86-L90 HydrophobicContact CZ-CD1 3.73Å; F86-L90 HydrophobicContact CZ-CD2 4.39Å; F86-L90 HydrophobicContact CZ-CG 4.18Å; F86-L90 WeakPolarHBondContact O-CG 3.5Å; F86-L90 PolarHBondContact O-N 2.85Å; F86-L90 VanDerWaalsContact O-N 3.1Å; L87-L90 PolarHBondContact O-N 3.26Å; L90-F94 WeakPolarHBondContact O-CB 3.48Å; L90-F94 PolarHBondContact O-N 3.14Å; L90-F115 HydrophobicContact CD2-CE1 4.33Å; L90-F118 HydrophobicContact CD2-CD1 3.86Å; L90-F118 HydrophobicContact CD2-CE1 3.81Å; L90-I119 HydrophobicContact CD2-CG1 4.09Å; L90-T122 HydrophobicContact CD2-CG2 4.18Å
91Q95.2Very high92.6Very high33 Ų3347.8 Ų47.815%0.15424%0.243CC..Hα-helixtrans-62.5-52.8178.7175.8177.6112.800111.7I63 S65 Y70 L87 D88 E89 E93 F94 I95I63-Q91 HydrophobicContact CD1-CB 4.23Å; S65-Q91 VanDerWaalsContact CB-NE2 3.33Å; Y70-Q91 HydrophobicContact CD1-CB 4.41Å; Y70-Q91 HydrophobicContact CD2-CB 3.97Å; Y70-Q91 HydrophobicContact CD2-CG 4.26Å; Y70-Q91 VanDerWaalsContact CE1-CA 3.5Å; Y70-Q91 HydrophobicContact CE1-CB 4.19Å; Y70-Q91 HydrophobicContact CE2-CB 3.71Å; Y70-Q91 HydrophobicContact CE2-CG 3.64Å; Y70-Q91 HydrophobicContact CG-CB 4.31Å; Y70-Q91 VanDerWaalsContact CZ-CA 3.47Å; L87-Q91 WeakPolarHBondContact O-CB 3.49Å; L87-Q91 PolarHBondContact O-N 3.48Å; D88-Q91 PolarHBondContact O-N 2.92Å; E89-Q91 VanDerWaalsContact C-N 3.29Å; E89-Q91 PolarHBondContact O-N 2.95Å; Q91-E93 PolarHBondContact O-N 2.79Å; Q91-F94 PolarHBondContact O-N 2.83Å; Q91-I95 HydrophobicContact CG-CD1 3.56Å; Q91-I95 HydrophobicContact CG-CG1 4.44Å; Q91-I95 WeakPolarHBondContact O-CB 3.2Å; Q91-I95 VanDerWaalsContact O-CG1 3.26Å; Q91-I95 WeakPolarHBondContact O-CG1 3.44Å; Q91-I95 PolarHBondContact O-N 2.84Å
92K93Very high92.6Very high115 Ų11553.4 Ų53.450%0.526%0.261SS..Hα-helixtrans-57.3-50.3-179.1-75.1168.1177.2167.80111.4D88 I95 I96D88-K92 WeakPolarHBondContact O-CG 3.23Å; D88-K92 PolarHBondContact O-N 2.68Å; D88-K92 WeakPolarHBondContact OD1-CE 3.36Å; D88-K92 IonicContact OD1-NZ 3.71Å; D88-K92 WeakPolarHBondContact OD2-CE 3.32Å; D88-K92 IonicContact OD2-NZ 2.94Å; D88-K92 PolarHBondContact OD2-NZ 3Å; K92-I95 PolarHBondContact O-N 2.72Å; K92-I96 WeakPolarHBondContact O-CD1 3.23Å; K92-I96 VanDerWaalsContact O-CG1 3.23Å; K92-I96 WeakPolarHBondContact O-CG1 3.37Å; K92-I96 PolarHBondContact O-N 2.83Å; K92-I96 VanDerWaalsContact O-N 3.16Å
93E95.1Very high92.6Very high70 Ų7052.3 Ų52.333%0.32726%0.255SS..Hα-helixtrans-62.7-48.7179.9-172.370.9-168.300111E89 Q91 I95 I96 T97 F115 F118E89-E93 PolarHBondContact O-N 2.8Å; E89-E93 VanDerWaalsContact O-N 3.11Å; Q91-E93 PolarHBondContact O-N 2.79Å; E93-I95 VanDerWaalsContact C-N 3.3Å; E93-I95 PolarHBondContact O-N 2.87Å; E93-I96 PolarHBondContact O-N 2.91Å; E93-T97 PolarHBondContact O-N 2.91Å; E93-T97 PolarHBondContact O-OG1 2.76Å; E93-T97 PolarHBondContact OE1-OG1 3.34Å; E93-F115 HydrophobicContact CB-CE2 4.1Å; E93-F115 HydrophobicContact CB-CZ 4.22Å; E93-F115 HydrophobicContact CG-CE2 3.74Å; E93-F115 HydrophobicContact CG-CZ 4.33Å; E93-F118 HydrophobicContact CB-CD1 4.02Å; E93-F118 HydrophobicContact CB-CD2 4.46Å; E93-F118 HydrophobicContact CB-CE1 3.44Å; E93-F118 VanDerWaalsContact CB-CE1 3.44Å; E93-F118 HydrophobicContact CB-CE2 3.95Å; E93-F118 HydrophobicContact CB-CG 4.49Å; E93-F118 HydrophobicContact CB-CZ 3.4Å; E93-F118 VanDerWaalsContact CB-CZ 3.4Å; E93-F118 HydrophobicContact CG-CD1 3.9Å; E93-F118 HydrophobicContact CG-CD2 3.7Å; E93-F118 HydrophobicContact CG-CE1 3.73Å; E93-F118 HydrophobicContact CG-CE2 3.53Å; E93-F118 HydrophobicContact CG-CG 3.88Å; E93-F118 HydrophobicContact CG-CZ 3.55Å
94F95.1Very high92.3Very high1 Ų156.2 Ų56.20%0.00428%0.282CS..Hα-helixtrans-61.2-38.8-176.2-166.3-93.3000112.8V9 L18 V68 Y70 L90 Q91 I96 Y98 I103 F112 F115V9-F94 HydrophobicContact CB-CE2 4.47Å; V9-F94 HydrophobicContact CG1-CD1 4.25Å; V9-F94 HydrophobicContact CG1-CD2 4.07Å; V9-F94 HydrophobicContact CG1-CE1 4.06Å; V9-F94 HydrophobicContact CG1-CE2 3.9Å; V9-F94 HydrophobicContact CG1-CG 4.25Å; V9-F94 HydrophobicContact CG1-CZ 3.9Å; V9-F94 HydrophobicContact CG2-CD2 4.49Å; L18-F94 HydrophobicContact CB-CZ 4.23Å; L18-F94 HydrophobicContact CD1-CE1 4.18Å; L18-F94 HydrophobicContact CD1-CZ 4Å; V68-F94 HydrophobicContact CG1-CD1 4.12Å; V68-F94 HydrophobicContact CG1-CE1 4Å; V68-F94 HydrophobicContact CG2-CE1 4.26Å; Y70-F94 HydrophobicContact CE1-CB 3.76Å; Y70-F94 HydrophobicContact CE1-CD1 4.32Å; Y70-F94 HydrophobicContact CE1-CG 4.1Å; L90-F94 WeakPolarHBondContact O-CB 3.48Å; L90-F94 PolarHBondContact O-N 3.14Å; Q91-F94 PolarHBondContact O-N 2.83Å; F94-I96 VanDerWaalsContact C-N 3.33Å; F94-Y98 HydrophobicContact CD1-CD2 4.34Å; F94-Y98 AromaticContact CD2-CD2 3.51Å; F94-Y98 HydrophobicContact CD2-CD2 3.51Å; F94-Y98 AromaticContact CD2-CE2 3.7Å; F94-Y98 HydrophobicContact CD2-CE2 3.7Å; F94-Y98 HydrophobicContact CE1-CD2 4.26Å; F94-Y98 AromaticContact CE2-CD2 3.41Å; F94-Y98 HydrophobicContact CE2-CD2 3.41Å; F94-Y98 VanDerWaalsContact CE2-CD2 3.41Å; F94-Y98 AromaticContact CE2-CE2 3.59Å; F94-Y98 HydrophobicContact CE2-CE2 3.59Å; F94-Y98 HydrophobicContact CE2-CG 4.46Å; F94-Y98 AromaticContact CG-CD2 3.99Å; F94-Y98 HydrophobicContact CG-CD2 3.99Å; F94-Y98 AromaticContact CZ-CD2 3.81Å; F94-Y98 HydrophobicContact CZ-CD2 3.81Å; F94-Y98 HydrophobicContact CZ-CE2 4.38Å; F94-Y98 PolarHBondContact O-N 2.92Å; F94-Y98 VanDerWaalsContact O-N 3.1Å; F94-I103 HydrophobicContact CD1-CD1 4.21Å; F94-I103 HydrophobicContact CE1-CD1 3.54Å; F94-I103 HydrophobicContact CE1-CG1 4.02Å; F94-I103 HydrophobicContact CZ-CD1 4.38Å; F94-I103 HydrophobicContact CZ-CG1 4.43Å; F94-F112 HydrophobicContact CE2-CB 4.19Å; F94-F112 HydrophobicContact CE2-CG 4.5Å; F94-F112 HydrophobicContact CZ-CB 4.39Å; F94-F112 HydrophobicContact CZ-CD2 4.41Å; F94-F112 HydrophobicContact CZ-CG 4.25Å; F94-F115 HydrophobicContact CB-CE1 4.23Å; F94-F115 HydrophobicContact CB-CE2 4.11Å; F94-F115 HydrophobicContact CB-CZ 3.77Å; F94-F115 AromaticContact CD2-CD1 3.69Å; F94-F115 HydrophobicContact CD2-CD1 3.69Å; F94-F115 AromaticContact CD2-CD2 3.96Å; F94-F115 HydrophobicContact CD2-CD2 3.96Å; F94-F115 AromaticContact CD2-CE1 3.76Å; F94-F115 HydrophobicContact CD2-CE1 3.76Å; F94-F115 HydrophobicContact CD2-CE2 4.01Å; F94-F115 AromaticContact CD2-CG 3.8Å; F94-F115 HydrophobicContact CD2-CG 3.8Å; F94-F115 AromaticContact CD2-CZ 3.91Å; F94-F115 HydrophobicContact CD2-CZ 3.91Å; F94-F115 HydrophobicContact CE2-CD1 4.24Å; F94-F115 HydrophobicContact CE2-CG 4.24Å; F94-F115 HydrophobicContact CG-CE1 4.47Å; F94-F115 HydrophobicContact CG-CZ 4.37Å
95I91.5Very high92.2Very high63 Ų6360 Ų6032%0.32331%0.31SS..Hα-helixtrans-65.9-36.6176.3-69169000111.1L66 Q91 K92 E93L66-I95 HydrophobicContact CD1-CD1 3.78Å; L66-I95 HydrophobicContact CD1-CG1 4.07Å; L66-I95 HydrophobicContact CD1-CG2 4Å; L66-I95 HydrophobicContact CG-CD1 4.29Å; Q91-I95 HydrophobicContact CG-CD1 3.56Å; Q91-I95 HydrophobicContact CG-CG1 4.44Å; Q91-I95 WeakPolarHBondContact O-CB 3.2Å; Q91-I95 VanDerWaalsContact O-CG1 3.26Å; Q91-I95 WeakPolarHBondContact O-CG1 3.44Å; Q91-I95 PolarHBondContact O-N 2.84Å; K92-I95 PolarHBondContact O-N 2.72Å; E93-I95 VanDerWaalsContact C-N 3.3Å; E93-I95 PolarHBondContact O-N 2.87Å
96I93.2Very high92.1Very high136 Ų13660.1 Ų60.170%0.69731%0.311SS*.Hα-helixtrans-74.2-41.1178.9-68.1165.5000110.9K92 E93 F94K92-I96 WeakPolarHBondContact O-CD1 3.23Å; K92-I96 VanDerWaalsContact O-CG1 3.23Å; K92-I96 WeakPolarHBondContact O-CG1 3.37Å; K92-I96 PolarHBondContact O-N 2.83Å; K92-I96 VanDerWaalsContact O-N 3.16Å; E93-I96 PolarHBondContact O-N 2.91Å; F94-I96 VanDerWaalsContact C-N 3.33Å
97T94.2Very high92Very high67 Ų6766.2 Ų66.241%0.41135%0.348SS..Hα-helixtrans-75.6-36-174.6-470000113E93E93-T97 PolarHBondContact O-N 2.91Å; E93-T97 PolarHBondContact O-OG1 2.76Å; E93-T97 PolarHBondContact OE1-OG1 3.34Å
98Y92.9Very high91.9Very high23 Ų2375.6 Ų75.69%0.0938%0.383CS..SBendtrans-122.5132.6-168.4-59.1-65000113.8F94 F112 F115F94-Y98 HydrophobicContact CD1-CD2 4.34Å; F94-Y98 AromaticContact CD2-CD2 3.51Å; F94-Y98 HydrophobicContact CD2-CD2 3.51Å; F94-Y98 AromaticContact CD2-CE2 3.7Å; F94-Y98 HydrophobicContact CD2-CE2 3.7Å; F94-Y98 HydrophobicContact CE1-CD2 4.26Å; F94-Y98 AromaticContact CE2-CD2 3.41Å; F94-Y98 HydrophobicContact CE2-CD2 3.41Å; F94-Y98 VanDerWaalsContact CE2-CD2 3.41Å; F94-Y98 AromaticContact CE2-CE2 3.59Å; F94-Y98 HydrophobicContact CE2-CE2 3.59Å; F94-Y98 HydrophobicContact CE2-CG 4.46Å; F94-Y98 AromaticContact CG-CD2 3.99Å; F94-Y98 HydrophobicContact CG-CD2 3.99Å; F94-Y98 AromaticContact CZ-CD2 3.81Å; F94-Y98 HydrophobicContact CZ-CD2 3.81Å; F94-Y98 HydrophobicContact CZ-CE2 4.38Å; F94-Y98 PolarHBondContact O-N 2.92Å; F94-Y98 VanDerWaalsContact O-N 3.1Å; Y98-F112 AromaticContact CD1-CD1 3.43Å; Y98-F112 HydrophobicContact CD1-CD1 3.43Å; Y98-F112 VanDerWaalsContact CD1-CD1 3.43Å; Y98-F112 AromaticContact CD1-CE1 3.79Å; Y98-F112 HydrophobicContact CD1-CE1 3.79Å; Y98-F112 HydrophobicContact CD2-CD1 4.16Å; Y98-F112 AromaticContact CE1-CD1 3.63Å; Y98-F112 HydrophobicContact CE1-CD1 3.63Å; Y98-F112 HydrophobicContact CE1-CE1 4.39Å; Y98-F112 HydrophobicContact CE2-CB 4.32Å; Y98-F112 HydrophobicContact CE2-CD1 4.32Å; Y98-F112 AromaticContact CG-CD1 3.71Å; Y98-F112 HydrophobicContact CG-CD1 3.71Å; Y98-F112 HydrophobicContact CG-CE1 4.01Å; Y98-F115 HydrophobicContact CE2-CB 3.89Å; Y98-F115 AromaticContact CE2-CD2 3.67Å; Y98-F115 HydrophobicContact CE2-CD2 3.67Å; Y98-F115 AromaticContact CE2-CG 3.99Å; Y98-F115 HydrophobicContact CE2-CG 3.99Å; Y98-F115 PolarHBondContact OH-N 3.03Å
99D88.9Confident92Very high95 Ų9576.9 Ų76.951%0.50839%0.394SS..  trans-67.5136.9176.9176.771.9000112.7K101 R102 I103D99-K101 VanDerWaalsContact C-N 3.32Å; D99-K101 PolarHBondContact O-N 3.35Å; D99-K101 WeakPolarHBondContact OD2-CA 3.2Å; D99-K101 WeakPolarHBondContact OD2-CB 3.37Å; D99-K101 PolarHBondContact OD2-N 3.46Å; D99-R102 HydrophobicContact CB-CB 4.41Å; D99-R102 PolarHBondContact O-N 3.01Å; D99-R102 PolarHBondContact OD2-N 3.11Å; D99-I103 WeakPolarHBondContact O-CG1 3.46Å; D99-I103 PolarHBondContact O-N 3.32Å; D99-I103 VanDerWaalsContact O-N 3.14Å
100S88.1Confident92.1Very high71 Ų7179.7 Ų79.750%0.49740%0.403SS..Hα-helixtrans-62.2-34.9-177.6-64.10000113.3I103 S104S100-I103 PolarHBondContact O-N 3.05Å; S100-S104 PolarHBondContact O-N 3.37Å
101K86.5Confident92Very high161 Ų16181.8 Ų81.870%0.742%0.418SS*.Hα-helixtrans-67.9-43.8178.1-58.5178.2179.1173.80110.1D99 I103 S104 S105D99-K101 VanDerWaalsContact C-N 3.32Å; D99-K101 PolarHBondContact O-N 3.35Å; D99-K101 WeakPolarHBondContact OD2-CA 3.2Å; D99-K101 WeakPolarHBondContact OD2-CB 3.37Å; D99-K101 PolarHBondContact OD2-N 3.46Å; K101-I103 VanDerWaalsContact C-N 3.29Å; K101-I103 PolarHBondContact O-N 3.37Å; K101-S104 PolarHBondContact O-N 2.82Å; K101-S104 VanDerWaalsContact O-N 3.12Å; K101-S104 PolarHBondContact O-OG 3.22Å; K101-S105 PolarHBondContact O-N 3.16Å; K101-S105 PolarHBondContact O-OG 3.45Å
102R89.8Confident92Very high149 Ų14980.4 Ų80.456%0.56241%0.411SS*.Hα-helixtrans-59.7-38.8177.2-170.2179.4174.3-174.9-2.5112.2D99 S105 A106 F112D99-R102 HydrophobicContact CB-CB 4.41Å; D99-R102 PolarHBondContact O-N 3.01Å; D99-R102 PolarHBondContact OD2-N 3.11Å; R102-S105 PolarHBondContact O-OG 2.78Å; R102-A106 PolarHBondContact O-N 3.28Å; R102-F112 HydrophobicContact CG-CE1 4.12Å; R102-F112 HydrophobicContact CG-CZ 4.02Å
103I89.8Confident92.1Very high12 Ų1280 Ų806%0.06241%0.413CS..Hα-helixtrans-65.3-45.3174.9-64.9158.8000110.8R11 L18 V68 F94 D99 S100 K101 S105 A106 F112R11-I103 PolarHBondContact NH1-O 2.94Å; L18-I103 HydrophobicContact CD1-CG2 3.75Å; L18-I103 HydrophobicContact CD2-CG2 4.5Å; V68-I103 HydrophobicContact CG2-CD1 4.4Å; V68-I103 HydrophobicContact CG2-CG2 3.82Å; F94-I103 HydrophobicContact CD1-CD1 4.21Å; F94-I103 HydrophobicContact CE1-CD1 3.54Å; F94-I103 HydrophobicContact CE1-CG1 4.02Å; F94-I103 HydrophobicContact CZ-CD1 4.38Å; F94-I103 HydrophobicContact CZ-CG1 4.43Å; D99-I103 WeakPolarHBondContact O-CG1 3.46Å; D99-I103 PolarHBondContact O-N 3.32Å; D99-I103 VanDerWaalsContact O-N 3.14Å; S100-I103 PolarHBondContact O-N 3.05Å; K101-I103 VanDerWaalsContact C-N 3.29Å; K101-I103 PolarHBondContact O-N 3.37Å; I103-S105 VanDerWaalsContact C-N 3.32Å; I103-S105 PolarHBondContact O-N 3.13Å; I103-A106 PolarHBondContact O-N 3.43Å; I103-F112 HydrophobicContact CB-CZ 4.36Å; I103-F112 HydrophobicContact CG1-CE1 4.27Å; I103-F112 HydrophobicContact CG1-CE2 4.2Å; I103-F112 HydrophobicContact CG1-CZ 3.76Å
104S88.6Confident92.2Very high81 Ų8184 Ų8457%0.56643%0.432SS*.Hα-helixtrans-66.2-31.8-179.773.60000113.4R11 S100 K101R11-S104 PolarHBondContact NH1-O 3.34Å; S100-S104 PolarHBondContact O-N 3.37Å; K101-S104 PolarHBondContact O-N 2.82Å; K101-S104 VanDerWaalsContact O-N 3.12Å; K101-S104 PolarHBondContact O-OG 3.22Å
105S89.9Confident92.3Very high84 Ų8484.2 Ų84.259%0.58743%0.433SS*.THydrogen-bonded Turntrans-89.5-4.2-179.665.80000114.1K101 R102 I103 V107K101-S105 PolarHBondContact O-N 3.16Å; K101-S105 PolarHBondContact O-OG 3.45Å; R102-S105 PolarHBondContact O-OG 2.78Å; I103-S105 VanDerWaalsContact C-N 3.32Å; I103-S105 PolarHBondContact O-N 3.13Å; S105-V107 PolarHBondContact O-N 2.84Å
106A89.7Confident92.5Very high10 Ų1082.3 Ų82.38%0.08342%0.424CS..  trans-64.1134.9-179.400000111.2R11 L16 L18 R102 I103 F112R11-A106 VanDerWaalsContact CZ-O 3.27Å; R11-A106 PolarHBondContact NH1-O 2.89Å; R11-A106 PolarHBondContact NH2-O 2.84Å; L16-A106 HydrophobicContact CD2-CB 4.28Å; L16-A106 WeakPolarHBondContact CD2-O 3.21Å; L18-A106 HydrophobicContact CD2-CB 4.49Å; R102-A106 PolarHBondContact O-N 3.28Å; I103-A106 PolarHBondContact O-N 3.43Å; A106-F112 HydrophobicContact CB-CE2 4.04Å
107V91.7Very high92.6Very high128 Ų12879.8 Ų79.878%0.77642%0.415SS*.  trans-117.1-31.1177.7-176.30000111.2S105S105-V107 PolarHBondContact O-N 2.84Å
108R93.8Very high92.7Very high196 Ų19678.6 Ų78.674%0.7440%0.404SS*.SBendtrans-81.7133.4-176.5-169.8-177174.9-178.7-0.8110.5Y110 S111R108-Y110 PolarHBondContact O-N 3.41Å; R108-S111 PolarHBondContact O-N 2.96Å; R108-S111 PolarHBondContact O-OG 2.77Å
109P94.5Very high92.9Very high68 Ų6877.5 Ų77.544%0.44240%0.399SS..THydrogen-bonded Turntrans-54.3136.9166.3-27.736.8000111.3L16 P17 S111L16-P109 HydrophobicContact CD1-CG 4.16Å; P17-P109 HydrophobicContact CG-CB 4Å; P109-S111 VanDerWaalsContact C-N 3.34Å; P109-S111 PolarHBondContact O-N 3.25Å
110Y95.9Very high93.2Very high111 Ų11174.9 Ų74.944%0.43538%0.384SS..THydrogen-bonded Turntrans60.935.6179.7-51.6-80.9000114.2P17 L18 A20 R108 F112 I113P17-Y110 HydrophobicContact CB-CD1 4.23Å; P17-Y110 HydrophobicContact CB-CE1 3.79Å; P17-Y110 HydrophobicContact CB-CE2 4.26Å; P17-Y110 HydrophobicContact CG-CD2 4.43Å; P17-Y110 HydrophobicContact CG-CE1 4.44Å; P17-Y110 HydrophobicContact CG-CE2 4.01Å; P17-Y110 PolarHBondContact O-N 3.06Å; L18-Y110 CarbonylContact O-C 3.55Å; L18-Y110 VanDerWaalsContact O-CA 3.3Å; L18-Y110 WeakPolarHBondContact O-CA 3.3Å; A20-Y110 HydrophobicContact CB-CE1 3.8Å; R108-Y110 PolarHBondContact O-N 3.41Å; Y110-F112 PolarHBondContact O-N 2.96Å; Y110-I113 PolarHBondContact O-N 3.05Å
111S94.8Very high93.5Very high44 Ų4477.8 Ų77.831%0.30839%0.388SS..THydrogen-bonded Turntrans-55.9-16.9174.5-77.90000114.8R108 P109R108-S111 PolarHBondContact O-N 2.96Å; R108-S111 PolarHBondContact O-OG 2.77Å; P109-S111 VanDerWaalsContact C-N 3.34Å; P109-S111 PolarHBondContact O-N 3.25Å
112F95.9Very high93.8Very high4 Ų470.1 Ų70.12%0.01836%0.355CS..THydrogen-bonded Turntrans-122.439.6-178.1-54.5-88.8000111.1L18 S19 F94 Y98 R102 I103 A106 Y110 E114 F115L18-F112 HydrophobicContact CB-CD2 3.9Å; L18-F112 HydrophobicContact CD2-CD2 3.92Å; L18-F112 HydrophobicContact CD2-CE2 3.87Å; L18-F112 HydrophobicContact CG-CD2 4.41Å; L18-F112 CarbonylContact O-C 3.57Å; L18-F112 WeakPolarHBondContact O-CA 3.25Å; L18-F112 WeakPolarHBondContact O-CB 3.43Å; L18-F112 PolarHBondContact O-N 2.95Å; S19-F112 VanDerWaalsContact CB-O 3.27Å; S19-F112 WeakPolarHBondContact CB-O 3.34Å; S19-F112 PolarHBondContact OG-O 3.43Å; F94-F112 HydrophobicContact CE2-CB 4.19Å; F94-F112 HydrophobicContact CE2-CG 4.5Å; F94-F112 HydrophobicContact CZ-CB 4.39Å; F94-F112 HydrophobicContact CZ-CD2 4.41Å; F94-F112 HydrophobicContact CZ-CG 4.25Å; Y98-F112 AromaticContact CD1-CD1 3.43Å; Y98-F112 HydrophobicContact CD1-CD1 3.43Å; Y98-F112 VanDerWaalsContact CD1-CD1 3.43Å; Y98-F112 AromaticContact CD1-CE1 3.79Å; Y98-F112 HydrophobicContact CD1-CE1 3.79Å; Y98-F112 HydrophobicContact CD2-CD1 4.16Å; Y98-F112 AromaticContact CE1-CD1 3.63Å; Y98-F112 HydrophobicContact CE1-CD1 3.63Å; Y98-F112 HydrophobicContact CE1-CE1 4.39Å; Y98-F112 HydrophobicContact CE2-CB 4.32Å; Y98-F112 HydrophobicContact CE2-CD1 4.32Å; Y98-F112 AromaticContact CG-CD1 3.71Å; Y98-F112 HydrophobicContact CG-CD1 3.71Å; Y98-F112 HydrophobicContact CG-CE1 4.01Å; R102-F112 HydrophobicContact CG-CE1 4.12Å; R102-F112 HydrophobicContact CG-CZ 4.02Å; I103-F112 HydrophobicContact CB-CZ 4.36Å; I103-F112 HydrophobicContact CG1-CE1 4.27Å; I103-F112 HydrophobicContact CG1-CE2 4.2Å; I103-F112 HydrophobicContact CG1-CZ 3.76Å; A106-F112 HydrophobicContact CB-CE2 4.04Å; Y110-F112 PolarHBondContact O-N 2.96Å; F112-E114 PolarHBondContact O-N 3.16Å; F112-E114 VanDerWaalsContact O-N 3.17Å; F112-F115 WeakPolarHBondContact O-CB 3.31Å; F112-F115 PolarHBondContact O-N 3.41Å; F112-F115 VanDerWaalsContact O-N 3.11Å
113I95.4Very high94Very high106 Ų10663.8 Ų63.854%0.54433%0.331SS..G310 helixtrans-57.3-29-177.3-166.9165.9000113.6Y110 F115 D116Y110-I113 PolarHBondContact O-N 3.05Å; I113-F115 PolarHBondContact O-N 2.93Å; I113-F115 VanDerWaalsContact O-N 3.1Å; I113-D116 WeakPolarHBondContact O-CB 3.5Å; I113-D116 PolarHBondContact O-N 3.17Å
114E95.3Very high94.1Very high153 Ų15369.2 Ų69.272%0.71536%0.356SS*.G310 helixtrans-57.4-27.7177.7-65.3172179.800112.9F112 D116 T117F112-E114 PolarHBondContact O-N 3.16Å; F112-E114 VanDerWaalsContact O-N 3.17Å; E114-D116 PolarHBondContact O-N 3.12Å; E114-T117 PolarHBondContact O-N 3.34Å; E114-T117 PolarHBondContact O-OG1 3.14Å
115F97.1Very high94.2Very high6 Ų667.8 Ų67.83%0.02634%0.338CS..G310 helixtrans-64.7-17.8176.8-164.3-110.7000113.5V9 L90 E93 F94 Y98 F112 I113 T117 F118 I119V9-F115 HydrophobicContact CG2-CD1 4.09Å; V9-F115 HydrophobicContact CG2-CE1 3.97Å; L90-F115 HydrophobicContact CD2-CE1 4.33Å; E93-F115 HydrophobicContact CB-CE2 4.1Å; E93-F115 HydrophobicContact CB-CZ 4.22Å; E93-F115 HydrophobicContact CG-CE2 3.74Å; E93-F115 HydrophobicContact CG-CZ 4.33Å; F94-F115 HydrophobicContact CB-CE1 4.23Å; F94-F115 HydrophobicContact CB-CE2 4.11Å; F94-F115 HydrophobicContact CB-CZ 3.77Å; F94-F115 AromaticContact CD2-CD1 3.69Å; F94-F115 HydrophobicContact CD2-CD1 3.69Å; F94-F115 AromaticContact CD2-CD2 3.96Å; F94-F115 HydrophobicContact CD2-CD2 3.96Å; F94-F115 AromaticContact CD2-CE1 3.76Å; F94-F115 HydrophobicContact CD2-CE1 3.76Å; F94-F115 HydrophobicContact CD2-CE2 4.01Å; F94-F115 AromaticContact CD2-CG 3.8Å; F94-F115 HydrophobicContact CD2-CG 3.8Å; F94-F115 AromaticContact CD2-CZ 3.91Å; F94-F115 HydrophobicContact CD2-CZ 3.91Å; F94-F115 HydrophobicContact CE2-CD1 4.24Å; F94-F115 HydrophobicContact CE2-CG 4.24Å; F94-F115 HydrophobicContact CG-CE1 4.47Å; F94-F115 HydrophobicContact CG-CZ 4.37Å; Y98-F115 HydrophobicContact CE2-CB 3.89Å; Y98-F115 AromaticContact CE2-CD2 3.67Å; Y98-F115 HydrophobicContact CE2-CD2 3.67Å; Y98-F115 AromaticContact CE2-CG 3.99Å; Y98-F115 HydrophobicContact CE2-CG 3.99Å; Y98-F115 PolarHBondContact OH-N 3.03Å; F112-F115 WeakPolarHBondContact O-CB 3.31Å; F112-F115 PolarHBondContact O-N 3.41Å; F112-F115 VanDerWaalsContact O-N 3.11Å; I113-F115 PolarHBondContact O-N 2.93Å; I113-F115 VanDerWaalsContact O-N 3.1Å; F115-T117 PolarHBondContact O-N 2.88Å; F115-F118 HydrophobicContact CD2-CB 4.11Å; F115-F118 HydrophobicContact CE1-CD1 4.24Å; F115-F118 HydrophobicContact CE2-CB 4.02Å; F115-F118 AromaticContact CE2-CD1 3.75Å; F115-F118 HydrophobicContact CE2-CD1 3.75Å; F115-F118 HydrophobicContact CE2-CG 4.04Å; F115-F118 HydrophobicContact CZ-CB 4.44Å; F115-F118 AromaticContact CZ-CD1 3.52Å; F115-F118 HydrophobicContact CZ-CD1 3.52Å; F115-F118 HydrophobicContact CZ-CE1 4.15Å; F115-F118 HydrophobicContact CZ-CG 4.27Å; F115-F118 WeakPolarHBondContact O-CB 3.31Å; F115-F118 PolarHBondContact O-N 3.33Å; F115-I119 HydrophobicContact CD1-CD1 3.75Å; F115-I119 HydrophobicContact CD1-CG1 3.63Å; F115-I119 HydrophobicContact CE1-CD1 4.19Å; F115-I119 HydrophobicContact CE1-CG1 3.73Å; F115-I119 WeakPolarHBondContact O-CG1 3.47Å; F115-I119 PolarHBondContact O-N 3.38Å
116D96.1Very high94.3Very high24 Ų2464.2 Ų64.213%0.12831%0.312CS..Hα-helixtrans-52.7-38.1173.1-176.620.4000111.2S19 S21 T22 I113 E114 F118 I119 Q120S19-D116 PolarHBondContact OG-N 2.72Å; S21-D116 VanDerWaalsContact CA-OD1 3.29Å; S21-D116 WeakPolarHBondContact CA-OD1 3.16Å; T22-D116 WeakPolarHBondContact CB-OD2 3.48Å; T22-D116 PolarHBondContact N-OD1 2.93Å; T22-D116 PolarHBondContact OG1-OD2 3.2Å; I113-D116 WeakPolarHBondContact O-CB 3.5Å; I113-D116 PolarHBondContact O-N 3.17Å; E114-D116 PolarHBondContact O-N 3.12Å; D116-F118 VanDerWaalsContact C-N 3.28Å; D116-F118 PolarHBondContact O-N 3.25Å; D116-I119 PolarHBondContact O-N 2.88Å; D116-I119 VanDerWaalsContact O-N 3.14Å; D116-Q120 WeakPolarHBondContact O-CB 3.46Å; D116-Q120 WeakPolarHBondContact O-CG 3.41Å; D116-Q120 PolarHBondContact O-N 3.03Å; D116-Q120 VanDerWaalsContact OD1-CG 3.29Å; D116-Q120 WeakPolarHBondContact OD1-CG 3.37Å
117T96.1Very high94.4Very high83 Ų8366 Ų6651%0.50932%0.32SS..Hα-helixtrans-57.6-41.7176.8-560000112.2E114 F115 K121E114-T117 PolarHBondContact O-N 3.34Å; E114-T117 PolarHBondContact O-OG1 3.14Å; F115-T117 PolarHBondContact O-N 2.88Å; T117-K121 HydrophobicContact CG2-CD 4.47Å; T117-K121 VanDerWaalsContact O-CG 3.31Å; T117-K121 WeakPolarHBondContact O-CG 3.49Å; T117-K121 PolarHBondContact O-N 3.21Å
118F96.5Very high94.2Very high41 Ų4162.6 Ų62.618%0.1830%0.302CS..Hα-helixtrans-71.5-44.1176.7-177.3-95000111.2E89 L90 E93 F115 D116 Q120 K121 T122E89-F118 HydrophobicContact CG-CZ 4.19Å; L90-F118 HydrophobicContact CD2-CD1 3.86Å; L90-F118 HydrophobicContact CD2-CE1 3.81Å; E93-F118 HydrophobicContact CB-CD1 4.02Å; E93-F118 HydrophobicContact CB-CD2 4.46Å; E93-F118 HydrophobicContact CB-CE1 3.44Å; E93-F118 VanDerWaalsContact CB-CE1 3.44Å; E93-F118 HydrophobicContact CB-CE2 3.95Å; E93-F118 HydrophobicContact CB-CG 4.49Å; E93-F118 HydrophobicContact CB-CZ 3.4Å; E93-F118 VanDerWaalsContact CB-CZ 3.4Å; E93-F118 HydrophobicContact CG-CD1 3.9Å; E93-F118 HydrophobicContact CG-CD2 3.7Å; E93-F118 HydrophobicContact CG-CE1 3.73Å; E93-F118 HydrophobicContact CG-CE2 3.53Å; E93-F118 HydrophobicContact CG-CG 3.88Å; E93-F118 HydrophobicContact CG-CZ 3.55Å; F115-F118 HydrophobicContact CD2-CB 4.11Å; F115-F118 HydrophobicContact CE1-CD1 4.24Å; F115-F118 HydrophobicContact CE2-CB 4.02Å; F115-F118 AromaticContact CE2-CD1 3.75Å; F115-F118 HydrophobicContact CE2-CD1 3.75Å; F115-F118 HydrophobicContact CE2-CG 4.04Å; F115-F118 HydrophobicContact CZ-CB 4.44Å; F115-F118 AromaticContact CZ-CD1 3.52Å; F115-F118 HydrophobicContact CZ-CD1 3.52Å; F115-F118 HydrophobicContact CZ-CE1 4.15Å; F115-F118 HydrophobicContact CZ-CG 4.27Å; F115-F118 WeakPolarHBondContact O-CB 3.31Å; F115-F118 PolarHBondContact O-N 3.33Å; D116-F118 VanDerWaalsContact C-N 3.28Å; D116-F118 PolarHBondContact O-N 3.25Å; F118-Q120 VanDerWaalsContact C-N 3.3Å; F118-Q120 PolarHBondContact O-N 3.27Å; F118-K121 PolarHBondContact O-N 3.04Å; F118-T122 WeakPolarHBondContact CE1-OG1 3.48Å; F118-T122 WeakPolarHBondContact O-CB 3.34Å; F118-T122 PolarHBondContact O-N 3.47Å; F118-T122 PolarHBondContact O-OG1 2.85Å; F118-T122 VanDerWaalsContact O-OG1 3.05Å
119I96.8Very high93.2Very high0 Ų058.5 Ų58.50%030%0.301CS..Hα-helixtrans-55.2-47.9176.9-63.7173.5000110.3A7 V9 L90 F115 D116 T122 K123A7-I119 HydrophobicContact CB-CG2 3.72Å; V9-I119 HydrophobicContact CG2-CD1 4.31Å; L90-I119 HydrophobicContact CD2-CG1 4.09Å; F115-I119 HydrophobicContact CD1-CD1 3.75Å; F115-I119 HydrophobicContact CD1-CG1 3.63Å; F115-I119 HydrophobicContact CE1-CD1 4.19Å; F115-I119 HydrophobicContact CE1-CG1 3.73Å; F115-I119 WeakPolarHBondContact O-CG1 3.47Å; F115-I119 PolarHBondContact O-N 3.38Å; D116-I119 PolarHBondContact O-N 2.88Å; D116-I119 VanDerWaalsContact O-N 3.14Å; I119-T122 PolarHBondContact O-N 3.08Å; I119-K123 VanDerWaalsContact O-CB 3.23Å; I119-K123 WeakPolarHBondContact O-CB 3.34Å; I119-K123 PolarHBondContact O-N 3.48Å
120Q95Very high92.1Very high40 Ų4066.9 Ų66.919%0.18732%0.324CS..Hα-helixtrans-65.1-45.3-178.4-70.3-68.4-400112.3T22 D23 D116 F118 T122 K123 Q124T22-Q120 PolarHBondContact O-NE2 2.93Å; T22-Q120 VanDerWaalsContact O-NE2 3.09Å; D23-Q120 PolarHBondContact OD1-NE2 2.81Å; D23-Q120 VanDerWaalsContact OD1-NE2 3.09Å; D116-Q120 WeakPolarHBondContact O-CB 3.46Å; D116-Q120 WeakPolarHBondContact O-CG 3.41Å; D116-Q120 PolarHBondContact O-N 3.03Å; D116-Q120 VanDerWaalsContact OD1-CG 3.29Å; D116-Q120 WeakPolarHBondContact OD1-CG 3.37Å; F118-Q120 VanDerWaalsContact C-N 3.3Å; F118-Q120 PolarHBondContact O-N 3.27Å; Q120-T122 VanDerWaalsContact C-N 3.32Å; Q120-T122 PolarHBondContact O-N 2.97Å; Q120-K123 PolarHBondContact O-N 3.4Å; Q120-Q124 WeakPolarHBondContact O-CB 3.5Å; Q120-Q124 VanDerWaalsContact O-CG 3.32Å; Q120-Q124 WeakPolarHBondContact O-CG 3.23Å; Q120-Q124 PolarHBondContact O-N 2.71Å
121K93.8Very high90.7Very high133 Ų13363.8 Ų63.858%0.57832%0.318SS*.Hα-helixtrans-59.3-44.2175.5-74.2175.9-176.9178.10111.6T117 F118 R125T117-K121 HydrophobicContact CG2-CD 4.47Å; T117-K121 VanDerWaalsContact O-CG 3.31Å; T117-K121 WeakPolarHBondContact O-CG 3.49Å; T117-K121 PolarHBondContact O-N 3.21Å; F118-K121 PolarHBondContact O-N 3.04Å; K121-R125 PolarHBondContact O-N 2.76Å; K121-R125 VanDerWaalsContact O-N 3.12Å
122T93.9Very high89.4Confident0 Ų062.6 Ų62.60%031%0.308CS..Hα-helixtrans-66.9-45178.2-61.20000110.6F86 L90 F118 I119 Q120 Q124 R125 Y126F86-T122 HydrophobicContact CD2-CG2 3.65Å; F86-T122 HydrophobicContact CE2-CG2 3.66Å; L90-T122 HydrophobicContact CD2-CG2 4.18Å; F118-T122 WeakPolarHBondContact CE1-OG1 3.48Å; F118-T122 WeakPolarHBondContact O-CB 3.34Å; F118-T122 PolarHBondContact O-N 3.47Å; F118-T122 PolarHBondContact O-OG1 2.85Å; F118-T122 VanDerWaalsContact O-OG1 3.05Å; I119-T122 PolarHBondContact O-N 3.08Å; Q120-T122 VanDerWaalsContact C-N 3.32Å; Q120-T122 PolarHBondContact O-N 2.97Å; T122-Q124 PolarHBondContact O-N 3.41Å; T122-R125 VanDerWaalsContact CG2-NH2 3.32Å; T122-R125 WeakPolarHBondContact O-CB 3.31Å; T122-R125 PolarHBondContact O-N 3.36Å; T122-R125 PolarHBondContact OG1-NH2 2.76Å; T122-Y126 HydrophobicContact CG2-CD2 3.85Å; T122-Y126 HydrophobicContact CG2-CE2 3.84Å; T122-Y126 VanDerWaalsContact O-CD2 3.3Å; T122-Y126 WeakPolarHBondContact O-CD2 3.46Å; T122-Y126 PolarHBondContact O-N 2.86Å
123K93.6Very high87.6Confident16 Ų1667.6 Ų67.67%0.0734%0.344CS..Hα-helixtrans-57.9-47.2176178.4-178164-176.90111.8V4 L5 D23 F86 I119 Q120 R125 Y126 N127V4-K123 HydrophobicContact CB-CG 4.19Å; V4-K123 HydrophobicContact CG1-CG 4.12Å; V4-K123 WeakPolarHBondContact O-CE 3.49Å; L5-K123 PolarHBondContact O-NZ 2.85Å; D23-K123 IonicContact OD1-NZ 2.63Å; D23-K123 PolarHBondContact OD1-NZ 2.87Å; D23-K123 IonicContact OD2-NZ 3.75Å; D23-K123 PolarHBondContact OD2-NZ 3.16Å; F86-K123 HydrophobicContact CE2-CB 4.14Å; I119-K123 VanDerWaalsContact O-CB 3.23Å; I119-K123 WeakPolarHBondContact O-CB 3.34Å; I119-K123 PolarHBondContact O-N 3.48Å; Q120-K123 PolarHBondContact O-N 3.4Å; K123-R125 VanDerWaalsContact C-N 3.32Å; K123-R125 PolarHBondContact O-N 3.2Å; K123-Y126 PolarHBondContact O-N 3.36Å; K123-N127 WeakPolarHBondContact O-CB 3.44Å; K123-N127 PolarHBondContact O-N 2.66Å
124Q92.1Very high85.7Confident126 Ų12668.1 Ų68.159%0.58935%0.352SS*.Hα-helixtrans-59.6-42177-74.6177.49.800112.3Q120 T122 N127 S128Q120-Q124 WeakPolarHBondContact O-CB 3.5Å; Q120-Q124 VanDerWaalsContact O-CG 3.32Å; Q120-Q124 WeakPolarHBondContact O-CG 3.23Å; Q120-Q124 PolarHBondContact O-N 2.71Å; T122-Q124 PolarHBondContact O-N 3.41Å; Q124-N127 PolarHBondContact O-N 2.85Å; Q124-S128 WeakPolarHBondContact O-CB 3.49Å; Q124-S128 PolarHBondContact O-N 3.29Å; Q124-S128 PolarHBondContact O-OG 2.89Å
125R91.5Very high83.9Confident50 Ų5068.9 Ų68.919%0.18935%0.353CS..Hα-helixtrans-62.3-50.1175.2-174174.959.6-111.6-12.2110.9E89 K121 T122 K123 N127 S128 S131 L132E89-R125 IonicContact OE1-CZ 3.87Å; E89-R125 IonicContact OE1-NH1 2.77Å; E89-R125 IonicContact OE1-NH2 2.75Å; E89-R125 PolarHBondContact OE1-NH2 3.33Å; E89-R125 IonicContact OE2-CZ 2.92Å; E89-R125 IonicContact OE2-NH2 2.72Å; E89-R125 PolarHBondContact OE2-NH2 2.93Å; K121-R125 PolarHBondContact O-N 2.76Å; K121-R125 VanDerWaalsContact O-N 3.12Å; T122-R125 VanDerWaalsContact CG2-NH2 3.32Å; T122-R125 WeakPolarHBondContact O-CB 3.31Å; T122-R125 PolarHBondContact O-N 3.36Å; T122-R125 PolarHBondContact OG1-NH2 2.76Å; K123-R125 VanDerWaalsContact C-N 3.32Å; K123-R125 PolarHBondContact O-N 3.2Å; R125-N127 PolarHBondContact O-N 3.09Å; R125-S128 PolarHBondContact O-N 3.43Å; R125-S131 PolarHBondContact O-OG 2.97Å; R125-L132 WeakPolarHBondContact O-CD1 3.24Å
126Y91.7Very high82.4Confident9 Ų970 Ų704%0.03536%0.359CS..Hα-helixtrans-68.3-17.6-178.6-85.8-95.7000114.7Y78 L82 C85 F86 E89 T122 K123 L132 I136Y78-Y126 PolarHBondContact OH-O 2.81Å; L82-Y126 HydrophobicContact CB-CD1 4.5Å; L82-Y126 WeakPolarHBondContact O-CE1 3.39Å; C85-Y126 VanDerWaalsContact C-OH 3.29Å; C85-Y126 HydrophobicContact CB-CE1 3.8Å; C85-Y126 WeakPolarHBondContact CB-OH 3.29Å; C85-Y126 PolarHBondContact O-OH 3.2Å; F86-Y126 HydrophobicContact CB-CD1 3.81Å; F86-Y126 HydrophobicContact CB-CD2 4.29Å; F86-Y126 HydrophobicContact CB-CE1 3.86Å; F86-Y126 HydrophobicContact CB-CE2 4.29Å; F86-Y126 HydrophobicContact CB-CG 4.02Å; F86-Y126 HydrophobicContact CD2-CD1 4.46Å; F86-Y126 AromaticContact CD2-CD2 3.72Å; F86-Y126 HydrophobicContact CD2-CD2 3.72Å; F86-Y126 HydrophobicContact CD2-CE2 4.24Å; F86-Y126 AromaticContact CD2-CG 3.8Å; F86-Y126 HydrophobicContact CD2-CG 3.8Å; F86-Y126 HydrophobicContact CG-CG 4.4Å; E89-Y126 VanDerWaalsContact OE2-CE2 3.29Å; E89-Y126 WeakPolarHBondContact OE2-CE2 3.26Å; E89-Y126 PolarHBondContact OE2-OH 3.47Å; T122-Y126 HydrophobicContact CG2-CD2 3.85Å; T122-Y126 HydrophobicContact CG2-CE2 3.84Å; T122-Y126 VanDerWaalsContact O-CD2 3.3Å; T122-Y126 WeakPolarHBondContact O-CD2 3.46Å; T122-Y126 PolarHBondContact O-N 2.86Å; K123-Y126 PolarHBondContact O-N 3.36Å; Y126-L132 HydrophobicContact CD1-CD2 3.9Å; Y126-L132 HydrophobicContact CE1-CD2 4.18Å; Y126-L132 HydrophobicContact CG-CD2 4.48Å; Y126-I136 HydrophobicContact CE1-CD1 3.76Å; Y126-I136 HydrophobicContact CE2-CD1 4.3Å
127N91.6Very high80.9Confident49 Ų4973.4 Ų73.426%0.26238%0.377SS..THydrogen-bonded Turntrans-89.9-5.5172.5-73.1-12000113.6M3 V4 K123 Q124 R125 P129M3-N127 WeakPolarHBondContact CA-OD1 3.29Å; V4-N127 WeakPolarHBondContact CB-OD1 3.48Å; V4-N127 PolarHBondContact N-OD1 2.76Å; V4-N127 PolarHBondContact O-ND2 2.95Å; K123-N127 WeakPolarHBondContact O-CB 3.44Å; K123-N127 PolarHBondContact O-N 2.66Å; Q124-N127 PolarHBondContact O-N 2.85Å; R125-N127 PolarHBondContact O-N 3.09Å; N127-P129 WeakPolarHBondContact O-CD 3.27Å
128S87.3Confident80Confident56 Ų5673 Ų7339%0.39237%0.372SS..  trans-117.592.9-175.3-62.20000111.1Q124 R125 R130 S131 L132Q124-S128 WeakPolarHBondContact O-CB 3.49Å; Q124-S128 PolarHBondContact O-N 3.29Å; Q124-S128 PolarHBondContact O-OG 2.89Å; R125-S128 PolarHBondContact O-N 3.43Å; S128-R130 PolarHBondContact O-N 3.16Å; S128-S131 WeakPolarHBondContact CB-OG 3.46Å; S128-S131 PolarHBondContact O-N 3.41Å; S128-S131 PolarHBondContact O-OG 2.67Å; S128-L132 WeakPolarHBondContact O-CD1 3.41Å
129P71.7Confident78.9Confident109 Ų10974 Ų7471%0.70839%0.387SS*.Hα-helixtrans-50.1-34-174.4-29.534.8000115.3N127 S131N127-P129 WeakPolarHBondContact O-CD 3.27Å; P129-S131 VanDerWaalsContact C-N 3.33Å; P129-S131 PolarHBondContact O-N 2.95Å
130R71.7Confident77.9Confident245 Ų24578.9 Ų78.993%0.92541%0.413SS*.Hα-helixtrans-66.4-28.6178.5-68.3-176.7-174.8154.11.2114S128S128-R130 PolarHBondContact O-N 3.16Å
131S67.4Low77.1Confident46 Ų4677.8 Ų77.832%0.32241%0.408SS..Hα-helixtrans-94.6-13.6-178.266.70000113.8R125 S128 P129R125-S131 PolarHBondContact O-OG 2.97Å; S128-S131 WeakPolarHBondContact CB-OG 3.46Å; S128-S131 PolarHBondContact O-N 3.41Å; S128-S131 PolarHBondContact O-OG 2.67Å; P129-S131 VanDerWaalsContact C-N 3.33Å; P129-S131 PolarHBondContact O-N 2.95Å
132L66.4Low76.3Confident19 Ų1975.9 Ų75.910%0.09940%0.401CS..Hα-helixtrans-72.7-37173.8-84.6101.3000113.2L82 R125 Y126 S128 T134 K135 I136L82-L132 HydrophobicContact CD1-CD2 4.2Å; L82-L132 HydrophobicContact CD2-CD2 3.6Å; L82-L132 HydrophobicContact CG-CD2 4.46Å; R125-L132 WeakPolarHBondContact O-CD1 3.24Å; Y126-L132 HydrophobicContact CD1-CD2 3.9Å; Y126-L132 HydrophobicContact CE1-CD2 4.18Å; Y126-L132 HydrophobicContact CG-CD2 4.48Å; S128-L132 WeakPolarHBondContact O-CD1 3.41Å; L132-T134 PolarHBondContact O-N 2.79Å; L132-K135 PolarHBondContact O-N 2.78Å; L132-I136 HydrophobicContact CB-CD1 3.91Å; L132-I136 HydrophobicContact CD2-CD1 3.38Å; L132-I136 HydrophobicContact CG-CD1 3.63Å
133S58.3Low75.5Confident109 Ų10979.6 Ų79.676%0.76242%0.424SS*.THydrogen-bonded Turntrans-61-14.7-165.9-174.30000115.1
134T55.1Low74.6Confident116 Ų11682.1 Ų82.171%0.71244%0.436SS*.THydrogen-bonded Turntrans-103.1-6.2-173.8490000114.5L132L132-T134 PolarHBondContact O-N 2.79Å
135K58.7Low73.8Confident169 Ų16977.2 Ų77.274%0.73541%0.414SS*.THydrogen-bonded Turntrans-137.2-8-168.7-69.6-165.8176.3-169.40117.6L132L132-K135 PolarHBondContact O-N 2.78Å
136I64.7Low73Confident31 Ų3182.3 Ų82.316%0.15944%0.437CS..  trans-109.6123.1-171.4-60.7163.6000110.6C85 Y126 L132 L138C85-I136 HydrophobicContact CB-CG2 4.25Å; Y126-I136 HydrophobicContact CE1-CD1 3.76Å; Y126-I136 HydrophobicContact CE2-CD1 4.3Å; L132-I136 HydrophobicContact CB-CD1 3.91Å; L132-I136 HydrophobicContact CD2-CD1 3.38Å; L132-I136 HydrophobicContact CG-CD1 3.63Å; I136-L138 VanDerWaalsContact C-N 3.27Å; I136-L138 HydrophobicContact CB-CG 4.32Å; I136-L138 HydrophobicContact CG2-CD2 3.74Å; I136-L138 HydrophobicContact CG2-CG 3.85Å; I136-L138 PolarHBondContact O-N 3.48Å
137N65.8Low72.3Confident95 Ų9588.6 Ų88.651%0.50847%0.471SS..  trans-77.582.1168.2-171.3-17.8000109.4A139 D140N137-A139 VanDerWaalsContact C-N 3.28Å; N137-A139 PolarHBondContact O-N 2.97Å; N137-A139 PolarHBondContact OD1-N 2.62Å; N137-D140 VanDerWaalsContact CG-OD2 3.32Å; N137-D140 PolarHBondContact ND2-OD2 2.85Å; N137-D140 PolarHBondContact OD1-N 3.01Å
138L77Confident71.6Confident75 Ų7590.1 Ų90.139%0.39347%0.473SS..Hα-helixtrans-67.7-28.5-178.8-69162.4000112.3V81 L82 I136 Q142V81-L138 HydrophobicContact CG1-CD2 4.29Å; L82-L138 HydrophobicContact CD2-CD2 3.53Å; I136-L138 VanDerWaalsContact C-N 3.27Å; I136-L138 HydrophobicContact CB-CG 4.32Å; I136-L138 HydrophobicContact CG2-CD2 3.74Å; I136-L138 HydrophobicContact CG2-CG 3.85Å; I136-L138 PolarHBondContact O-N 3.48Å; L138-Q142 WeakPolarHBondContact O-CB 3.49Å; L138-Q142 PolarHBondContact O-N 3.09Å
139A73.8Confident71.3Confident60 Ų6091.7 Ų91.750%0.49648%0.482SS..Hα-helixtrans-66.7-43.5-174.100000112N137 Q142 T143N137-A139 VanDerWaalsContact C-N 3.28Å; N137-A139 PolarHBondContact O-N 2.97Å; N137-A139 PolarHBondContact OD1-N 2.62Å; A139-Q142 PolarHBondContact O-N 3.21Å; A139-T143 WeakPolarHBondContact O-CB 3.29Å; A139-T143 PolarHBondContact O-N 3.27Å; A139-T143 PolarHBondContact O-OG1 3.14Å
140D74.1Confident71.9Confident104 Ų10487 Ų8756%0.55645%0.452SS*.Hα-helixtrans-66.5-48.7179.6-67-12000110.8N137 Q142 T143 E144N137-D140 VanDerWaalsContact CG-OD2 3.32Å; N137-D140 PolarHBondContact ND2-OD2 2.85Å; N137-D140 PolarHBondContact OD1-N 3.01Å; D140-Q142 VanDerWaalsContact C-N 3.31Å; D140-Q142 PolarHBondContact O-N 3.47Å; D140-T143 PolarHBondContact O-N 3.49Å; D140-T143 VanDerWaalsContact O-N 3.16Å; D140-E144 PolarHBondContact O-N 3.02Å
141M79.9Confident72.6Confident17 Ų1780.8 Ų80.88%0.08443%0.429CS..Hα-helixtrans-62.8-38.7178.4-168.1105.6-55.700111.9V81 F84 C85 T143 E144 I145V81-M141 HydrophobicContact CG1-CB 4.07Å; V81-M141 HydrophobicContact CG1-CG 4.02Å; F84-M141 HydrophobicContact CB-SD 3.89Å; C85-M141 HydrophobicContact CB-SD 4.25Å; C85-M141 PolarHBondContact N-SD 3.45Å; C85-M141 VanDerWaalsContact N-SD 3.35Å; C85-M141 VanDerWaalsContact SG-CB 3.5Å; C85-M141 WeakPolarHBondContact SG-CG 3.45Å; M141-T143 VanDerWaalsContact C-N 3.33Å; M141-T143 PolarHBondContact O-N 3.1Å; M141-E144 WeakPolarHBondContact CE-OE2 3.29Å; M141-E144 PolarHBondContact O-N 3.27Å; M141-I145 HydrophobicContact CG-CD1 3.95Å; M141-I145 WeakPolarHBondContact O-CB 3.34Å; M141-I145 WeakPolarHBondContact O-CG1 3.49Å; M141-I145 PolarHBondContact O-N 3.26Å
142Q76.7Confident73.7Confident92 Ų9282.7 Ų82.743%0.4343%0.433SS..Hα-helixtrans-64.8-38.9176.7-178169.4-46.900111.7V81 L138 A139 D140 K146V81-Q142 HydrophobicContact CG1-CB 4.35Å; V81-Q142 HydrophobicContact CG2-CB 4.42Å; L138-Q142 WeakPolarHBondContact O-CB 3.49Å; L138-Q142 PolarHBondContact O-N 3.09Å; A139-Q142 PolarHBondContact O-N 3.21Å; D140-Q142 VanDerWaalsContact C-N 3.31Å; D140-Q142 PolarHBondContact O-N 3.47Å; Q142-K146 VanDerWaalsContact O-CG 3.29Å; Q142-K146 WeakPolarHBondContact O-CG 3.47Å; Q142-K146 PolarHBondContact O-N 3.03Å; Q142-K146 VanDerWaalsContact O-N 3.14Å
143T75.5Confident74.5Confident78 Ų7882.3 Ų82.348%0.47943%0.43SS..Hα-helixtrans-66.6-45.5174.3-56.40000110.5A139 D140 M141 I145 K146 L147A139-T143 WeakPolarHBondContact O-CB 3.29Å; A139-T143 PolarHBondContact O-N 3.27Å; A139-T143 PolarHBondContact O-OG1 3.14Å; D140-T143 PolarHBondContact O-N 3.49Å; D140-T143 VanDerWaalsContact O-N 3.16Å; M141-T143 VanDerWaalsContact C-N 3.33Å; M141-T143 PolarHBondContact O-N 3.1Å; T143-I145 PolarHBondContact O-N 2.84Å; T143-K146 WeakPolarHBondContact O-CB 3.31Å; T143-K146 PolarHBondContact O-N 2.89Å; T143-K146 VanDerWaalsContact O-N 3.17Å; T143-L147 HydrophobicContact CG2-CD1 3.96Å; T143-L147 HydrophobicContact CG2-CG 4.41Å; T143-L147 WeakPolarHBondContact O-CG 3.37Å; T143-L147 PolarHBondContact O-N 3.5Å
144E75.1Confident75.4Confident69 Ų6978.7 Ų78.732%0.32241%0.405SS..Hα-helixtrans-62-40.7179.1-158.9-157.4158.100112.2R50 D140 M141 K146 L147 R148R50-E144 IonicContact CZ-OE1 3.23Å; R50-E144 VanDerWaalsContact CZ-OE1 3.23Å; R50-E144 IonicContact CZ-OE2 3.67Å; R50-E144 IonicContact NH1-OE1 3.18Å; R50-E144 PolarHBondContact NH1-OE1 3.49Å; R50-E144 IonicContact NH1-OE2 3.62Å; R50-E144 IonicContact NH2-OE1 3.34Å; R50-E144 PolarHBondContact NH2-OE1 2.98Å; R50-E144 IonicContact NH2-OE2 2.58Å; R50-E144 PolarHBondContact NH2-OE2 3.19Å; D140-E144 PolarHBondContact O-N 3.02Å; M141-E144 WeakPolarHBondContact CE-OE2 3.29Å; M141-E144 PolarHBondContact O-N 3.27Å; E144-K146 VanDerWaalsContact C-N 3.34Å; E144-L147 PolarHBondContact O-N 3.5Å; E144-R148 WeakPolarHBondContact O-CA 3.36Å; E144-R148 PolarHBondContact O-N 3.37Å
145I76.8Confident75.8Confident23 Ų2377.2 Ų77.212%0.11840%0.398CS..Hα-helixtrans-68.2-34.9176.9-73.1168000111.7V81 F84 M141 T143 R148 P149V81-I145 VanDerWaalsContact CA-CD1 3.48Å; V81-I145 HydrophobicContact CB-CD1 4.15Å; V81-I145 HydrophobicContact CG1-CD1 4.48Å; V81-I145 HydrophobicContact CG2-CD1 3.95Å; F84-I145 HydrophobicContact CB-CD1 4.21Å; F84-I145 HydrophobicContact CD2-CD1 3.91Å; F84-I145 HydrophobicContact CD2-CG1 4.42Å; F84-I145 HydrophobicContact CG-CD1 4.45Å; M141-I145 HydrophobicContact CG-CD1 3.95Å; M141-I145 WeakPolarHBondContact O-CB 3.34Å; M141-I145 WeakPolarHBondContact O-CG1 3.49Å; M141-I145 PolarHBondContact O-N 3.26Å; T143-I145 PolarHBondContact O-N 2.84Å; I145-R148 CarbonylContact O-C 3.3Å; I145-R148 VanDerWaalsContact O-C 3.3Å; I145-P149 VanDerWaalsContact O-CA 3.27Å; I145-P149 WeakPolarHBondContact O-CA 3.44Å; I145-P149 VanDerWaalsContact O-N 3.11Å
146K74.2Confident75.9Confident157 Ų15776.1 Ų76.168%0.68340%0.395SS*.Hα-helixtrans-66.2-41.9174.2-76.6176.1178.6-172.50111.7Q142 T143 E144Q142-K146 VanDerWaalsContact O-CG 3.29Å; Q142-K146 WeakPolarHBondContact O-CG 3.47Å; Q142-K146 PolarHBondContact O-N 3.03Å; Q142-K146 VanDerWaalsContact O-N 3.14Å; T143-K146 WeakPolarHBondContact O-CB 3.31Å; T143-K146 PolarHBondContact O-N 2.89Å; T143-K146 VanDerWaalsContact O-N 3.17Å; E144-K146 VanDerWaalsContact C-N 3.34Å
147L76.4Confident75.9Confident142 Ų14277.1 Ų77.174%0.74340%0.401SS*.Hα-helixtrans-73.4-37.4178.8-66.3173.7000112T143 E144T143-L147 HydrophobicContact CG2-CD1 3.96Å; T143-L147 HydrophobicContact CG2-CG 4.41Å; T143-L147 WeakPolarHBondContact O-CG 3.37Å; T143-L147 PolarHBondContact O-N 3.5Å; E144-L147 PolarHBondContact O-N 3.5Å
148R76.5Confident75.7Confident80 Ų8073.7 Ų73.730%0.30238%0.382SS..SBendtrans-135.783.2-177.4-164.7176.983.8119.6-6.2110.7D49 R50 E144 I145D49-R148 IonicContact OD1-CZ 2.65Å; D49-R148 IonicContact OD1-NH1 3.88Å; D49-R148 PolarHBondContact OD1-NH1 2.97Å; D49-R148 IonicContact OD1-NH2 3.77Å; D49-R148 IonicContact OD2-CZ 2.84Å; D49-R148 VanDerWaalsContact OD2-CZ 3.26Å; D49-R148 IonicContact OD2-NH1 2.72Å; D49-R148 PolarHBondContact OD2-NH1 2.91Å; D49-R148 IonicContact OD2-NH2 3.26Å; D49-R148 PolarHBondContact OD2-NH2 3.45Å; R50-R148 PolarHBondContact NH1-O 3.45Å; E144-R148 WeakPolarHBondContact O-CA 3.36Å; E144-R148 PolarHBondContact O-N 3.37Å; I145-R148 CarbonylContact O-C 3.3Å; I145-R148 VanDerWaalsContact O-C 3.3Å
149P81.6Confident74.6Confident90 Ų9076.6 Ų76.658%0.58439%0.394SS*.PPolyproline II helixtrans-64.5148.1178.426.1-33.6000110.7I145 Y151I145-P149 VanDerWaalsContact O-CA 3.27Å; I145-P149 WeakPolarHBondContact O-CA 3.44Å; I145-P149 VanDerWaalsContact O-N 3.11Å; P149-Y151 PolarHBondContact O-N 2.99Å
150P84.7Confident73.7Confident11 Ų1176.5 Ų76.57%0.07139%0.393CS..PPolyproline II helixtrans-6313617629-36.8000110.6R50 T52 F84 Q152R50-P150 HydrophobicContact CG-CB 3.95Å; T52-P150 WeakPolarHBondContact OG1-CB 3.41Å; F84-P150 HydrophobicContact CE1-CB 4.42Å; F84-P150 HydrophobicContact CE2-CB 3.68Å; F84-P150 HydrophobicContact CE2-CG 3.7Å; F84-P150 HydrophobicContact CZ-CB 3.44Å; F84-P150 VanDerWaalsContact CZ-CB 3.44Å; F84-P150 HydrophobicContact CZ-CG 4Å; P150-Q152 PolarHBondContact O-N 3.08Å
151Y86.8Confident72.8Confident113 Ų11372.6 Ų72.644%0.44337%0.372SS..EExtended strand (participates in β ladder)trans-63.1125.6175.4-177.4-95.5000109.8P48 R50 C51 T52 P149 L153P48-Y151 HydrophobicContact CG-CD1 4.26Å; P48-Y151 HydrophobicContact CG-CD2 4.22Å; P48-Y151 HydrophobicContact CG-CG 3.83Å; R50-Y151 PolarHBondContact O-N 3.49Å; C51-Y151 CarbonylContact C-O 3.39Å; C51-Y151 VanDerWaalsContact CA-O 3.23Å; C51-Y151 WeakPolarHBondContact CA-O 3.47Å; T52-Y151 PolarHBondContact N-O 3.19Å; P149-Y151 PolarHBondContact O-N 2.99Å; Y151-L153 HydrophobicContact CD1-CD2 3.89Å; Y151-L153 HydrophobicContact CD1-CG 4.25Å; Y151-L153 HydrophobicContact CE1-CD2 3.78Å; Y151-L153 HydrophobicContact CE1-CG 4.48Å; Y151-L153 PolarHBondContact O-N 2.92Å
152Q89.1Confident71.4Confident87 Ų8777.5 Ų77.541%0.40740%0.399SS..EExtended strand (participates in β ladder)trans-84.4115.3179.3-63.3-64.7-48.300109T52 P150T52-Q152 CarbonylContact O-C 3.52Å; T52-Q152 WeakPolarHBondContact O-CA 3.3Å; P150-Q152 PolarHBondContact O-N 3.08Å
153L84.1Confident69.9Low10 Ų1075.5 Ų75.55%0.05240%0.402CS..EExtended strand (participates in β ladder)trans-79.5130.8174.7-69168.7000109.9L40 F47 C51 T52 L53 F62 Y151L40-L153 HydrophobicContact CD1-CD1 4.18Å; F47-L153 HydrophobicContact CD1-CD2 3.21Å; F47-L153 HydrophobicContact CE1-CD2 3.37Å; F47-L153 HydrophobicContact CG-CD2 3.87Å; F47-L153 HydrophobicContact CZ-CD2 4.14Å; C51-L153 HydrophobicContact CB-CD1 4.02Å; C51-L153 HydrophobicContact CB-CG 4.24Å; T52-L153 PolarHBondContact O-N 2.9Å; L53-L153 HydrophobicContact CB-CB 4.04Å; L53-L153 HydrophobicContact CB-CD1 4.14Å; L53-L153 HydrophobicContact CD1-CB 4.01Å; F62-L153 HydrophobicContact CE1-CD1 3.49Å; F62-L153 VanDerWaalsContact CE1-CD1 3.49Å; F62-L153 HydrophobicContact CZ-CD1 3.94Å; Y151-L153 HydrophobicContact CD1-CD2 3.89Å; Y151-L153 HydrophobicContact CD1-CG 4.25Å; Y151-L153 HydrophobicContact CE1-CD2 3.78Å; Y151-L153 HydrophobicContact CE1-CG 4.48Å; Y151-L153 PolarHBondContact O-N 2.92Å
154S76.1Confident67.9Low34 Ų3481.4 Ų81.424%0.23842%0.422CS..  trans-81.2153.8174.470.80000110.6E156 D157S154-E156 PolarHBondContact O-N 2.85Å; S154-D157 WeakPolarHBondContact CB-OD2 3.36Å; S154-D157 PolarHBondContact N-OD2 2.89Å; S154-D157 WeakPolarHBondContact O-CB 3.43Å; S154-D157 PolarHBondContact O-N 3.36Å; S154-D157 VanDerWaalsContact O-N 3.16Å; S154-D157 PolarHBondContact OG-N 2.94Å; S154-D157 VanDerWaalsContact OG-N 3.14Å; S154-D157 PolarHBondContact OG-OD2 3.41Å
155P64.3Low66.4Low84 Ų8483.5 Ų83.555%0.54544%0.444SS..Hα-helixtrans-59.3-25.2170.7-21.332.3000113.1L158 Q159P155-L158 WeakPolarHBondContact O-CB 3.14Å; P155-L158 PolarHBondContact O-N 3.48Å; P155-Q159 PolarHBondContact O-N 2.83Å; P155-Q159 VanDerWaalsContact O-N 3.12Å
156E60.6Low64.4Low146 Ų14688.5 Ų88.568%0.68248%0.475SS*.Hα-helixtrans-68.7-39176.7-65.1152.4-153.700111.2S154 L158 Q159 A160S154-E156 PolarHBondContact O-N 2.85Å; E156-L158 PolarHBondContact O-N 3.38Å; E156-Q159 PolarHBondContact O-N 3.18Å; E156-Q159 VanDerWaalsContact O-N 3.07Å; E156-A160 PolarHBondContact O-N 2.6Å
157D65.4Low62.6Low53 Ų5391.7 Ų91.728%0.28348%0.483SS..Hα-helixtrans-59.1-29.2172.6-63.4-50.2000111.5F47 S154 I161F47-D157 HydrophobicContact CE1-CB 4.26Å; S154-D157 WeakPolarHBondContact CB-OD2 3.36Å; S154-D157 PolarHBondContact N-OD2 2.89Å; S154-D157 WeakPolarHBondContact O-CB 3.43Å; S154-D157 PolarHBondContact O-N 3.36Å; S154-D157 VanDerWaalsContact O-N 3.16Å; S154-D157 PolarHBondContact OG-N 2.94Å; S154-D157 VanDerWaalsContact OG-N 3.14Å; S154-D157 PolarHBondContact OG-OD2 3.41Å; D157-I161 VanDerWaalsContact O-CG1 3.29Å; D157-I161 WeakPolarHBondContact O-CG1 3.29Å
158L61Low60.6Low22 Ų2289.1 Ų89.112%0.11548%0.482CS..Hα-helixtrans-83.3-27.5174.8-78.9129000114.3H36 L53 P155 E156 A160 I161 N162H36-L158 HydrophobicContact CB-CD2 4.4Å; L53-L158 HydrophobicContact CD1-CD1 3.17Å; L53-L158 HydrophobicContact CD2-CD1 3.38Å; L53-L158 HydrophobicContact CD2-CD2 3.98Å; L53-L158 HydrophobicContact CD2-CG 4.25Å; L53-L158 HydrophobicContact CG-CD1 3.85Å; P155-L158 WeakPolarHBondContact O-CB 3.14Å; P155-L158 PolarHBondContact O-N 3.48Å; E156-L158 PolarHBondContact O-N 3.38Å; L158-A160 VanDerWaalsContact C-N 3.33Å; L158-I161 HydrophobicContact CD2-CD1 4.29Å; L158-I161 HydrophobicContact CG-CD1 4.32Å; L158-I161 WeakPolarHBondContact O-CA 3.18Å; L158-I161 WeakPolarHBondContact O-CB 3.29Å; L158-I161 PolarHBondContact O-N 3.12Å; L158-N162 PolarHBondContact O-N 3.47Å
159Q54.5Low58.7Low137 Ų13790.6 Ų90.664%0.6450%0.5SS*.Hα-helixtrans-68.3-37.1174.9-73.6-179.122.400111.2P155 E156 I161 N162P155-Q159 PolarHBondContact O-N 2.83Å; P155-Q159 VanDerWaalsContact O-N 3.12Å; E156-Q159 PolarHBondContact O-N 3.18Å; E156-Q159 VanDerWaalsContact O-N 3.07Å; Q159-I161 PolarHBondContact O-N 3.32Å; Q159-N162 PolarHBondContact O-N 2.93Å
160A54.5Low56.4Low57 Ų5790 Ų9047%0.47150%0.499SS..Hα-helixtrans-60.1-14.8167.500000113.1K43 E156 L158K43-A160 PolarHBondContact NZ-O 2.8Å; E156-A160 PolarHBondContact O-N 2.6Å; L158-A160 VanDerWaalsContact C-N 3.33Å
161I54.7Low54Low23 Ų2399.5 Ų99.512%0.11854%0.539CS..Hα-helixtrans-82.3-34.2175.6-54.5-179.7000112.3L40 K43 F47 D157 L158 Q159L40-I161 HydrophobicContact CD1-CD1 4.25Å; K43-I161 HydrophobicContact CD-CB 4.2Å; K43-I161 HydrophobicContact CD-CD1 4.29Å; K43-I161 HydrophobicContact CD-CG1 3.77Å; K43-I161 HydrophobicContact CD-CG2 3.86Å; K43-I161 PolarHBondContact NZ-O 2.7Å; F47-I161 HydrophobicContact CE2-CD1 4.2Å; F47-I161 HydrophobicContact CZ-CD1 4.11Å; D157-I161 VanDerWaalsContact O-CG1 3.29Å; D157-I161 WeakPolarHBondContact O-CG1 3.29Å; L158-I161 HydrophobicContact CD2-CD1 4.29Å; L158-I161 HydrophobicContact CG-CD1 4.32Å; L158-I161 WeakPolarHBondContact O-CA 3.18Å; L158-I161 WeakPolarHBondContact O-CB 3.29Å; L158-I161 PolarHBondContact O-N 3.12Å; Q159-I161 PolarHBondContact O-N 3.32Å
162N50.2Low51.6Low120 Ų12098.8 Ų98.864%0.64254%0.536SS*.Hα-helixtrans-92.3-13.5-168.4-77-23.2000115.6L158 Q159L158-N162 PolarHBondContact O-N 3.47Å; Q159-N162 PolarHBondContact O-N 2.93Å
163G45.2Very low49.1Very low49 Ų49102 Ų10251%0.50555%0.548SS..SBendtrans158.7143.3173.400000113.4
164F33.8Very low46.6Very low203 Ų203102.6 Ų102.689%0.8956%0.557SS**  trans82.1114.6-172-79.2-93.2000116.8V166F164-V166 PolarHBondContact O-N 3.26Å
165S43.8Very low44.9Very low113 Ų113105.5 Ų105.579%0.7957%0.569SS**  trans-55.8115.5169.6156.20000111.2
166V34.8Very low43.5Very low127 Ų127103.7 Ų103.777%0.7756%0.561SS**  trans-132.8119.6139.3-179.40000107.4F164 A168F164-V166 PolarHBondContact O-N 3.26Å; V166-A168 PolarHBondContact O-N 2.9Å
167R37.2Very low42.6Very low224 Ų22499.3 Ų99.385%0.84555%0.545SS*.  trans-69.276.7174.4-169.6-179.4-170.2173.62.4108.7T169R167-T169 HydrophobicContact CG-CG2 4.37Å; R167-T169 PolarHBondContact O-N 2.88Å; R167-T169 VanDerWaalsContact O-N 3.13Å
168A34.8Very low41.4Very low88 Ų88101.2 Ų101.273%0.72756%0.559SS**  trans-73.998.1160.400000106.5V166 S170V166-A168 PolarHBondContact O-N 2.9Å; A168-S170 PolarHBondContact O-N 2.96Å
169T34.9Very low40.9Very low111 Ų111106 Ų10668%0.68158%0.581SS**  trans-62.885.1165.142.90000108.2R167 K171R167-T169 HydrophobicContact CG-CG2 4.37Å; R167-T169 PolarHBondContact O-N 2.88Å; R167-T169 VanDerWaalsContact O-N 3.13Å; T169-K171 PolarHBondContact O-N 3.3Å
170S35Very low40.9Very low79 Ų79104.7 Ų104.755%0.55258%0.576SS**  trans-59.9106.7162.31710000107A168 Y172A168-S170 PolarHBondContact O-N 2.96Å; S170-Y172 PolarHBondContact O-N 3.4Å
171K33.9Very low41.3Very low210 Ų210102.8 Ų102.891%0.91356%0.558SS**  trans-69.665.8168.5-84.6-179.8172.4175.90108.9T169T169-K171 PolarHBondContact O-N 3.3Å
172Y36.6Very low42Very low98 Ų98105.4 Ų105.438%0.38457%0.57SS.*  trans-117.9109.6163.4-159.7-95.2000108.8P48 S170 G174P48-Y172 HydrophobicContact CB-CD1 4.04Å; P48-Y172 HydrophobicContact CB-CE1 3.55Å; P48-Y172 HydrophobicContact CB-CE2 4.16Å; P48-Y172 HydrophobicContact CG-CD1 3.86Å; P48-Y172 HydrophobicContact CG-CD2 3.9Å; P48-Y172 HydrophobicContact CG-CE1 3.82Å; P48-Y172 HydrophobicContact CG-CE2 3.84Å; P48-Y172 HydrophobicContact CG-CG 3.89Å; S170-Y172 PolarHBondContact O-N 3.4Å; Y172-G174 PolarHBondContact O-N 2.91Å
173K34.8Very low43.1Very low153 Ų153104.2 Ų104.267%0.66557%0.569SS**  trans-6790.2165.8-92.3-179.9170.6-179.30106.7
174G32.4Very low44.5Very low24 Ų24104 Ų10425%0.24756%0.562CS.*  trans-57.2141.3171.600000110.7Y172 A176Y172-G174 PolarHBondContact O-N 2.91Å; G174-A176 PolarHBondContact O-N 3.22Å
175I40.2Very low47Very low95 Ų9597.9 Ų97.949%0.48754%0.541SS..  trans-74.584.6170-64.5165.1000106.1
176A35.2Very low48.9Very low46 Ų4699.2 Ų99.238%0.3854%0.539SS..  trans-82.9133.4167.900000108.7G174 T178 M180G174-A176 PolarHBondContact O-N 3.22Å; A176-T178 VanDerWaalsContact C-N 3.28Å; A176-M180 HydrophobicContact CB-SD 4.24Å
177P41.1Very low51.4Low53 Ų5396 Ų9634%0.34452%0.521SS..SBendtrans-102.352.2167.334.6-23000108.6L66 G67L66-P177 VanDerWaalsContact C-CG 3.49Å; L66-P177 HydrophobicContact CB-CG 4.32Å; L66-P177 HydrophobicContact CD2-CB 3.49Å; L66-P177 VanDerWaalsContact CD2-CB 3.49Å; L66-P177 HydrophobicContact CD2-CG 3.92Å; G67-P177 VanDerWaalsContact N-CG 3.33Å
178T40.6Very low53.8Low94 Ų9485.4 Ų85.458%0.57748%0.48SS*.SBendtrans-95131.8130.539.40000102.9A176 M180A176-T178 VanDerWaalsContact C-N 3.28Å; T178-M180 PolarHBondContact O-N 3.43Å; T178-M180 VanDerWaalsContact OG1-CG 3.29Å; T178-M180 WeakPolarHBondContact OG1-CG 3.29Å
179Q50.2Low56.3Low122 Ų12285.2 Ų85.257%0.5747%0.466SS*.  trans-62.581.6170.3-84.7168.9-36.700107.4F244Q179-F244 HydrophobicContact CB-CB 4.49Å; Q179-F244 HydrophobicContact CB-CD1 4.02Å; Q179-F244 HydrophobicContact CB-CD2 3.99Å; Q179-F244 HydrophobicContact CB-CE1 4.29Å; Q179-F244 HydrophobicContact CB-CE2 4.23Å; Q179-F244 HydrophobicContact CB-CG 3.88Å; Q179-F244 HydrophobicContact CB-CZ 4.38Å; Q179-F244 WeakPolarHBondContact O-CB 3.49Å
180M54.6Low59.1Low110 Ų11083.8 Ų83.854%0.54246%0.457SS..PPolyproline II helixtrans-75.8131.8179.5-70.1-172.779.800106.3A176 T178 L295A176-M180 HydrophobicContact CB-SD 4.24Å; T178-M180 PolarHBondContact O-N 3.43Å; T178-M180 VanDerWaalsContact OG1-CG 3.29Å; T178-M180 WeakPolarHBondContact OG1-CG 3.29Å; M180-L295 WeakPolarHBondContact O-CB 3.42Å; M180-L295 PolarHBondContact O-N 3.02Å
181L62.9Low61.8Low16 Ų1680 Ų808%0.08443%0.431CS..BIsolated β-bridgetrans-69.6146.8169.9-60.6-178.9000108.5F241 F244 R292 P294L181-F241 WeakPolarHBondContact CD1-O 3.38Å; L181-F244 HydrophobicContact CD2-CB 4.4Å; L181-F244 HydrophobicContact CD2-CD2 4.05Å; L181-R292 HydrophobicContact CB-CG 4.22Å; L181-R292 VanDerWaalsContact CB-CZ 3.47Å; L181-P294 HydrophobicContact CD2-CB 4.35Å
182E70.5Confident64.6Low79 Ų7971.6 Ų71.637%0.36940%0.398SS..PPolyproline II helixtrans-49.8147.9175.2-71-177.414500111.4A184 R292 Q293 L295E182-A184 PolarHBondContact O-N 3.49Å; E182-R292 PolarHBondContact O-NE 3.37Å; E182-R292 PolarHBondContact O-NH2 2.99Å; E182-Q293 PolarHBondContact N-O 3.02Å; E182-L295 HydrophobicContact CG-CD1 4.09Å
183P72.6Confident67.3Low95 Ų9571 Ų7162%0.61741%0.405SS*.PPolyproline II helixtrans-47.4136.9176.7-25.933.1000111.6T185P183-T185 PolarHBondContact O-N 2.98Å
184A75.3Confident70.1Confident43 Ų4366.2 Ų66.236%0.35539%0.386SS..PPolyproline II helixtrans-60.9124.3-177.400000110.1E182 I189 F241E182-A184 PolarHBondContact O-N 3.49Å; A184-I189 HydrophobicContact CB-CD1 4.42Å; A184-I189 HydrophobicContact CB-CG1 3.91Å; A184-F241 HydrophobicContact CB-CE1 4.18Å; A184-F241 HydrophobicContact CB-CZ 4.21Å
185T84.9Confident73.1Confident75 Ų7565.1 Ų65.146%0.4637%0.374SS..PPolyproline II helixtrans-72.6154174.658.10000109.4P183 P187 G188 I189P183-T185 PolarHBondContact O-N 2.98Å; T185-P187 VanDerWaalsContact C-N 3.33Å; T185-G188 CarbonylContact O-C 3.58Å; T185-G188 WeakPolarHBondContact O-CA 3.48Å; T185-G188 PolarHBondContact O-N 2.91Å; T185-G188 PolarHBondContact OG1-N 2.66Å; T185-I189 PolarHBondContact O-N 3.17Å
186L84.2Confident75.6Confident142 Ų14264 Ų6474%0.74337%0.372SS*.Hα-helixtrans-47-48.7172.9-71.1174.1000113.3G188 I189 V190L186-G188 VanDerWaalsContact C-N 3.3Å; L186-G188 PolarHBondContact O-N 3.1Å; L186-I189 PolarHBondContact O-N 3.44Å; L186-V190 WeakPolarHBondContact O-CG2 3.42Å; L186-V190 PolarHBondContact O-N 2.97Å
187P87.5Confident78.5Confident60 Ų6066.5 Ų66.539%0.3938%0.379SS..Hα-helixtrans-62.8-32.8175.922.9-34.5000113.7T185 V190 S191 F284T185-P187 VanDerWaalsContact C-N 3.33Å; P187-V190 PolarHBondContact O-N 3.1Å; P187-S191 WeakPolarHBondContact O-CB 3.41Å; P187-S191 PolarHBondContact O-N 3.28Å; P187-S191 PolarHBondContact O-OG 3.21Å; P187-F284 HydrophobicContact CB-CZ 4.07Å
188G87.3Confident81Confident0 Ų064 Ų640%036%0.363CS..Hα-helixtrans-70.3-33.5174.100000113.8T185 L186 S191 C192T185-G188 CarbonylContact O-C 3.58Å; T185-G188 WeakPolarHBondContact O-CA 3.48Å; T185-G188 PolarHBondContact O-N 2.91Å; T185-G188 PolarHBondContact OG1-N 2.66Å; L186-G188 VanDerWaalsContact C-N 3.3Å; L186-G188 PolarHBondContact O-N 3.1Å; G188-S191 WeakPolarHBondContact CA-OG 3.43Å; G188-S191 PolarHBondContact O-OG 3.17Å; G188-C192 WeakPolarHBondContact O-CB 3.35Å; G188-C192 PolarHBondContact O-N 3.11Å; G188-C192 VanDerWaalsContact O-N 3.08Å
189I88.5Confident83.5Confident84 Ų8459.7 Ų59.743%0.43134%0.337SS..Hα-helixtrans-67.5-46.6172.6-64.4168000109.4A184 T185 L186 S191 C192 V193A184-I189 HydrophobicContact CB-CD1 4.42Å; A184-I189 HydrophobicContact CB-CG1 3.91Å; T185-I189 PolarHBondContact O-N 3.17Å; L186-I189 PolarHBondContact O-N 3.44Å; I189-S191 VanDerWaalsContact C-N 3.34Å; I189-S191 PolarHBondContact O-N 3.2Å; I189-C192 WeakPolarHBondContact O-CB 3.35Å; I189-C192 PolarHBondContact O-N 3.21Å; I189-V193 WeakPolarHBondContact O-CG2 3.27Å; I189-V193 PolarHBondContact O-N 3.35Å
190V92.8Very high85.5Confident81 Ų8155.8 Ų55.849%0.49133%0.329SS..Hα-helixtrans-59.7-44.8177.41730000111L186 P187 C192 V193 L194L186-V190 WeakPolarHBondContact O-CG2 3.42Å; L186-V190 PolarHBondContact O-N 2.97Å; P187-V190 PolarHBondContact O-N 3.1Å; V190-C192 VanDerWaalsContact C-N 3.32Å; V190-C192 PolarHBondContact O-N 3.43Å; V190-V193 PolarHBondContact O-N 2.96Å; V190-L194 HydrophobicContact CG1-CD1 3.9Å; V190-L194 HydrophobicContact CG1-CG 4.41Å; V190-L194 WeakPolarHBondContact O-CG 3.3Å; V190-L194 PolarHBondContact O-N 3.48Å
191S91.6Very high87.4Confident0 Ų054.7 Ų54.70%033%0.325CS..Hα-helixtrans-62-39.617770.50000112.3P187 G188 I189 L194 S195 F284 M285P187-S191 WeakPolarHBondContact O-CB 3.41Å; P187-S191 PolarHBondContact O-N 3.28Å; P187-S191 PolarHBondContact O-OG 3.21Å; G188-S191 WeakPolarHBondContact CA-OG 3.43Å; G188-S191 PolarHBondContact O-OG 3.17Å; I189-S191 VanDerWaalsContact C-N 3.34Å; I189-S191 PolarHBondContact O-N 3.2Å; S191-L194 PolarHBondContact O-N 2.96Å; S191-S195 WeakPolarHBondContact O-CB 3.27Å; S191-S195 PolarHBondContact O-N 2.93Å; S191-F284 VanDerWaalsContact CB-CD1 3.42Å; S191-M285 PolarHBondContact OG-SD 3.5Å
192C92.1Very high88.8Confident34 Ų3454 Ų5423%0.2332%0.321CS..Hα-helixtrans-64.5-46.1177.8-169.40000111.5G188 I189 V190 L194 S195 V196 F241 M285G188-C192 WeakPolarHBondContact O-CB 3.35Å; G188-C192 PolarHBondContact O-N 3.11Å; G188-C192 VanDerWaalsContact O-N 3.08Å; I189-C192 WeakPolarHBondContact O-CB 3.35Å; I189-C192 PolarHBondContact O-N 3.21Å; V190-C192 VanDerWaalsContact C-N 3.32Å; V190-C192 PolarHBondContact O-N 3.43Å; C192-L194 PolarHBondContact O-N 3.49Å; C192-S195 PolarHBondContact O-N 3.49Å; C192-V196 WeakPolarHBondContact O-CG2 3.42Å; C192-V196 PolarHBondContact O-N 2.98Å; C192-F241 HydrophobicContact CB-CD1 4.48Å; C192-M285 HydrophobicContact CB-CE 4.36Å
193V94.5Very high89.8Confident85 Ų8553.8 Ų53.852%0.51532%0.322SS..Hα-helixtrans-60.6-47.2176.8172.10000110.9I189 V190 S195 V196 L197I189-V193 WeakPolarHBondContact O-CG2 3.27Å; I189-V193 PolarHBondContact O-N 3.35Å; V190-V193 PolarHBondContact O-N 2.96Å; V193-S195 VanDerWaalsContact C-N 3.33Å; V193-S195 PolarHBondContact O-N 3.41Å; V193-V196 PolarHBondContact O-N 3.2Å; V193-L197 HydrophobicContact CG1-CD1 4.11Å; V193-L197 WeakPolarHBondContact O-CG 3.44Å; V193-L197 PolarHBondContact O-N 3.45Å
194L94.2Very high90.8Very high52 Ų5254 Ų5427%0.27232%0.317SS..Hα-helixtrans-61.8-40.4177.5-69.6172.1000112V190 S191 C192 L197 C198 F277 V281V190-L194 HydrophobicContact CG1-CD1 3.9Å; V190-L194 HydrophobicContact CG1-CG 4.41Å; V190-L194 WeakPolarHBondContact O-CG 3.3Å; V190-L194 PolarHBondContact O-N 3.48Å; S191-L194 PolarHBondContact O-N 2.96Å; C192-L194 PolarHBondContact O-N 3.49Å; L194-L197 PolarHBondContact O-N 2.88Å; L194-C198 PolarHBondContact O-N 2.96Å; L194-F277 HydrophobicContact CD2-CZ 4.41Å; L194-V281 HydrophobicContact CB-CG1 3.81Å; L194-V281 HydrophobicContact CB-CG2 4.06Å
195S93.4Very high91.5Very high1 Ų156.1 Ų56.11%0.00732%0.316CS..Hα-helixtrans-64.9-41.2177.1-175.50000112.1S191 C192 V193 C198 G199 C234 C238S191-S195 WeakPolarHBondContact O-CB 3.27Å; S191-S195 PolarHBondContact O-N 2.93Å; C192-S195 PolarHBondContact O-N 3.49Å; V193-S195 VanDerWaalsContact C-N 3.33Å; V193-S195 PolarHBondContact O-N 3.41Å; S195-C198 WeakPolarHBondContact O-CB 3.19Å; S195-C198 PolarHBondContact O-N 3.12Å; S195-G199 PolarHBondContact O-N 3.45Å; S195-C234 PolarHBondContact OG-O 3.34Å; S195-C238 VanDerWaalsContact CB-SG 3.59Å; S195-C238 PolarHBondContact OG-SG 3.08Å
196V94.3Very high91.7Very high72 Ų7252.5 Ų52.544%0.43629%0.294SS..Hα-helixtrans-62.9-42.4173.8172.10000111.1C192 V193 G199 G200C192-V196 WeakPolarHBondContact O-CG2 3.42Å; C192-V196 PolarHBondContact O-N 2.98Å; V193-V196 PolarHBondContact O-N 3.2Å; V196-G199 PolarHBondContact O-N 3.14Å; V196-G200 PolarHBondContact O-N 3.46Å
197L95.3Very high91.9Very high99 Ų9949.2 Ų49.252%0.51828%0.28SS..Hα-helixtrans-61.5-44.1175.2-71.6169.4000111.7V193 L194 G199 G200 L201V193-L197 HydrophobicContact CG1-CD1 4.11Å; V193-L197 WeakPolarHBondContact O-CG 3.44Å; V193-L197 PolarHBondContact O-N 3.45Å; L194-L197 PolarHBondContact O-N 2.88Å; L197-G199 VanDerWaalsContact C-N 3.32Å; L197-G199 PolarHBondContact O-N 3.37Å; L197-G200 PolarHBondContact O-N 2.91Å; L197-L201 WeakPolarHBondContact O-CG 3.44Å; L197-L201 PolarHBondContact O-N 3.31Å
198C94.1Very high91.9Very high1 Ų151.6 Ų51.61%0.00729%0.285CS..Hα-helixtrans-58.7-43173.7-79.80000112.2L194 S195 L201 N202 F277 H278L194-C198 PolarHBondContact O-N 2.96Å; S195-C198 WeakPolarHBondContact O-CB 3.19Å; S195-C198 PolarHBondContact O-N 3.12Å; C198-L201 PolarHBondContact O-N 2.85Å; C198-N202 WeakPolarHBondContact O-CB 3.26Å; C198-N202 PolarHBondContact O-N 2.69Å; C198-N202 PolarHBondContact O-ND2 3.4Å; C198-F277 WeakPolarHBondContact SG-CE1 3.41Å; C198-H278 WeakPolarHBondContact CB-ND1 3.36Å; C198-H278 PolarHBondContact SG-ND1 2.92Å; C198-H278 VanDerWaalsContact SG-ND1 3.37Å
199G92.6Very high91.9Very high3 Ų352.7 Ų52.73%0.03130%0.295CS..Hα-helixtrans-60.6-45.1173.600000112.1S195 V196 L197 N202 L203 T231S195-G199 PolarHBondContact O-N 3.45Å; V196-G199 PolarHBondContact O-N 3.14Å; L197-G199 VanDerWaalsContact C-N 3.32Å; L197-G199 PolarHBondContact O-N 3.37Å; G199-N202 PolarHBondContact O-N 2.96Å; G199-L203 WeakPolarHBondContact O-CB 3.25Å; G199-L203 PolarHBondContact O-N 2.77Å; G199-T231 PolarHBondContact O-OG1 3.45Å
200G93.2Very high91.7Very high40 Ų4052.1 Ų52.141%0.41229%0.292SS..Hα-helixtrans-61.9-42.617700000113.5V196 L197 L203 L204V196-G200 PolarHBondContact O-N 3.46Å; L197-G200 PolarHBondContact O-N 2.91Å; G200-L203 PolarHBondContact O-N 2.88Å; G200-L204 WeakPolarHBondContact O-CB 3.31Å; G200-L204 PolarHBondContact O-N 3.24Å
201L92.8Very high91.4Very high87 Ų8753.4 Ų53.446%0.45529%0.292SS..Hα-helixtrans-65.7-39.8176.4-69.3173.6000112.2L197 C198 R205L197-L201 WeakPolarHBondContact O-CG 3.44Å; L197-L201 PolarHBondContact O-N 3.31Å; C198-L201 PolarHBondContact O-N 2.85Å; L201-R205 PolarHBondContact O-N 3.11Å; L201-R205 VanDerWaalsContact O-N 3.13Å
202N92.5Very high90.8Very high2 Ų256.2 Ų56.21%0.01131%0.312CS..Hα-helixtrans-63.8-44.2174.7-72-18.1000111.1C198 G199 R205 G206 T231 R270 H278C198-N202 WeakPolarHBondContact O-CB 3.26Å; C198-N202 PolarHBondContact O-N 2.69Å; C198-N202 PolarHBondContact O-ND2 3.4Å; G199-N202 PolarHBondContact O-N 2.96Å; N202-R205 PolarHBondContact O-N 3.02Å; N202-G206 PolarHBondContact O-N 3.41Å; N202-T231 WeakPolarHBondContact CB-OG1 3.32Å; N202-R270 PolarHBondContact OD1-NH1 3.17Å; N202-R270 PolarHBondContact OD1-NH2 3.04Å; N202-H278 PolarHBondContact OD1-CE1 2.85Å; N202-H278 VanDerWaalsContact OD1-CE1 3.25Å
203L93.1Very high90.3Very high74 Ų7456.8 Ų56.839%0.38731%0.312SS..Hα-helixtrans-63-46.2178.3-176.163.5000111.5G199 G200 R205 G206 V207 F228 T231G199-L203 WeakPolarHBondContact O-CB 3.25Å; G199-L203 PolarHBondContact O-N 2.77Å; G200-L203 PolarHBondContact O-N 2.88Å; L203-R205 VanDerWaalsContact C-N 3.32Å; L203-R205 PolarHBondContact O-N 2.92Å; L203-G206 PolarHBondContact O-N 2.87Å; L203-V207 HydrophobicContact CD1-CG2 4.5Å; L203-V207 WeakPolarHBondContact O-CG2 3.41Å; L203-V207 PolarHBondContact O-N 2.72Å; L203-F228 HydrophobicContact CD1-CD1 4.15Å; L203-F228 HydrophobicContact CD1-CE1 3.5Å; L203-F228 VanDerWaalsContact CD1-CE1 3.5Å; L203-F228 HydrophobicContact CD1-CZ 4.04Å; L203-T231 HydrophobicContact CB-CG2 4.11Å; L203-T231 PolarHBondContact N-OG1 3.32Å
204L92.1Very high89.6Confident98 Ų9860.1 Ų60.151%0.51333%0.326SS..Hα-helixtrans-57.9-46.5178.5-175.764.9000111.1G200 V207 H208G200-L204 WeakPolarHBondContact O-CB 3.31Å; G200-L204 PolarHBondContact O-N 3.24Å; L204-V207 PolarHBondContact O-N 3.41Å; L204-H208 PolarHBondContact O-N 3.04Å; L204-H208 VanDerWaalsContact O-N 3.09Å; L204-H208 PolarHBondContact O-ND1 2.72Å
205R89.5Confident88.8Confident88 Ų8864.1 Ų64.133%0.33234%0.344SS..Hα-helixtrans-68.8-36.4177.1-72.4-163-178.8166.39.6113.1L201 N202 L203 V207 H208 A209 F227 Q274L201-R205 PolarHBondContact O-N 3.11Å; L201-R205 VanDerWaalsContact O-N 3.13Å; N202-R205 PolarHBondContact O-N 3.02Å; L203-R205 VanDerWaalsContact C-N 3.32Å; L203-R205 PolarHBondContact O-N 2.92Å; R205-V207 VanDerWaalsContact C-N 3.33Å; R205-V207 PolarHBondContact O-N 2.89Å; R205-H208 PolarHBondContact O-N 3.31Å; R205-A209 WeakPolarHBondContact O-CB 3.33Å; R205-A209 PolarHBondContact O-N 3.35Å; R205-F227 HydrophobicContact CB-CD1 3.74Å; R205-F227 HydrophobicContact CB-CE1 3.36Å; R205-F227 HydrophobicContact CB-CE2 4.36Å; R205-F227 HydrophobicContact CB-CG 4.39Å; R205-F227 HydrophobicContact CB-CZ 3.74Å; R205-F227 HydrophobicContact CG-CE1 4.21Å; R205-Q274 VanDerWaalsContact NH2-CD 3.34Å; R205-Q274 VanDerWaalsContact NH2-OE1 3.13Å
206G89.4Confident87.6Confident0 Ų068.5 Ų68.50%037%0.367CS..Hα-helixtrans-61.5-40.5173.900000112.4N202 L203 A209 I210N202-G206 PolarHBondContact O-N 3.41Å; L203-G206 PolarHBondContact O-N 2.87Å; G206-A209 PolarHBondContact O-N 3.47Å; G206-I210 WeakPolarHBondContact O-CG1 3.45Å; G206-I210 PolarHBondContact O-N 2.89Å
207V90Very high86.1Confident72 Ų7273.8 Ų73.844%0.43639%0.393SS..Hα-helixtrans-67.2-43.8175.9172.70000111.5L203 L204 R205 A209 I210 E211L203-V207 HydrophobicContact CD1-CG2 4.5Å; L203-V207 WeakPolarHBondContact O-CG2 3.41Å; L203-V207 PolarHBondContact O-N 2.72Å; L204-V207 PolarHBondContact O-N 3.41Å; R205-V207 VanDerWaalsContact C-N 3.33Å; R205-V207 PolarHBondContact O-N 2.89Å; V207-A209 VanDerWaalsContact C-N 3.29Å; V207-A209 PolarHBondContact O-N 2.94Å; V207-I210 WeakPolarHBondContact O-CB 3.32Å; V207-I210 PolarHBondContact O-N 3.02Å; V207-E211 PolarHBondContact O-N 3.12Å
208H87.6Confident84.5Confident110 Ų11074.9 Ų74.951%0.50940%0.399SS..Hα-helixtrans-63.4-36.4174.9-75.879.4000112.1L204 R205 E211 S212L204-H208 PolarHBondContact O-N 3.04Å; L204-H208 VanDerWaalsContact O-N 3.09Å; L204-H208 PolarHBondContact O-ND1 2.72Å; R205-H208 PolarHBondContact O-N 3.31Å; H208-E211 PolarHBondContact O-N 3.06Å; H208-S212 WeakPolarHBondContact O-CB 3.46Å; H208-S212 PolarHBondContact O-N 3.37Å
209A85.4Confident82.8Confident23 Ų2383.3 Ų83.319%0.1944%0.439CS..Hα-helixtrans-65.8-37.517500000112R205 G206 V207 S212 I213 V224 F227R205-A209 WeakPolarHBondContact O-CB 3.33Å; R205-A209 PolarHBondContact O-N 3.35Å; G206-A209 PolarHBondContact O-N 3.47Å; V207-A209 VanDerWaalsContact C-N 3.29Å; V207-A209 PolarHBondContact O-N 2.94Å; A209-S212 PolarHBondContact O-N 3.46Å; A209-I213 WeakPolarHBondContact O-CG1 3.31Å; A209-I213 PolarHBondContact O-N 3Å; A209-V224 HydrophobicContact CB-CG2 3.81Å; A209-F227 HydrophobicContact CB-CD2 4.46Å; A209-F227 HydrophobicContact CB-CE2 4.44Å
210I86.1Confident81.6Confident72 Ų7287.2 Ų87.237%0.36946%0.459SS..Hα-helixtrans-61.8-45.6172-69.8163.3000110.9G206 V207 S212 I213 L214 V224 F228G206-I210 WeakPolarHBondContact O-CG1 3.45Å; G206-I210 PolarHBondContact O-N 2.89Å; V207-I210 WeakPolarHBondContact O-CB 3.32Å; V207-I210 PolarHBondContact O-N 3.02Å; I210-S212 VanDerWaalsContact C-N 3.29Å; I210-S212 PolarHBondContact O-N 3.25Å; I210-I213 PolarHBondContact O-N 3.47Å; I210-L214 PolarHBondContact O-N 2.99Å; I210-V224 HydrophobicContact CD1-CG1 3.88Å; I210-V224 HydrophobicContact CG1-CB 4.44Å; I210-V224 HydrophobicContact CG1-CG1 3.52Å; I210-V224 HydrophobicContact CG1-CG2 3.98Å; I210-F228 HydrophobicContact CD1-CE2 3.58Å; I210-F228 HydrophobicContact CD1-CZ 3.82Å
211E84.8Confident81Confident109 Ų10991.6 Ų91.651%0.50947%0.466SS..Hα-helixtrans-62.1-39.2178.7-171173.5-173.400111.6V207 H208 L214 Q215V207-E211 PolarHBondContact O-N 3.12Å; H208-E211 PolarHBondContact O-N 3.06Å; E211-L214 PolarHBondContact O-N 3.37Å; E211-Q215 WeakPolarHBondContact O-CG 3.16Å; E211-Q215 PolarHBondContact O-N 3.2Å
212S79.6Confident80.7Confident58 Ų5891.5 Ų91.541%0.40647%0.467SS..Hα-helixtrans-64.6-39.6175.1-175.20000113.1H208 A209 I210 L214 Q215 N216H208-S212 WeakPolarHBondContact O-CB 3.46Å; H208-S212 PolarHBondContact O-N 3.37Å; A209-S212 PolarHBondContact O-N 3.46Å; I210-S212 VanDerWaalsContact C-N 3.29Å; I210-S212 PolarHBondContact O-N 3.25Å; S212-L214 VanDerWaalsContact C-N 3.32Å; S212-Q215 PolarHBondContact O-N 3.15Å; S212-N216 PolarHBondContact O-N 3.34Å
213I81.2Confident80.4Confident46 Ų4693.6 Ų93.624%0.23648%0.475CS..Hα-helixtrans-67.3-34.8175.3-70.2166.4000111.1A209 I210 Q215 N216 D220 V224A209-I213 WeakPolarHBondContact O-CG1 3.31Å; A209-I213 PolarHBondContact O-N 3Å; I210-I213 PolarHBondContact O-N 3.47Å; I213-Q215 PolarHBondContact O-N 3.33Å; I213-N216 CarbonylContact C-O 3.59Å; I213-N216 CarbonylContact O-C 3.52Å; I213-D220 HydrophobicContact CG1-CB 4.49Å; I213-V224 HydrophobicContact CD1-CG2 3.43Å; I213-V224 VanDerWaalsContact CD1-CG2 3.43Å
214L79.6Confident80.2Confident156 Ų15690.3 Ų90.382%0.81746%0.458SS*.Hα-helixtrans-67.7-23177.2-143.285.7000112.4I210 E211 S212I210-L214 PolarHBondContact O-N 2.99Å; E211-L214 PolarHBondContact O-N 3.37Å; S212-L214 VanDerWaalsContact C-N 3.32Å
215Q77.3Confident80.1Confident136 Ų13688.9 Ų88.964%0.63645%0.45SS*.Hα-helixtrans-96-31.8-178.8-70.3176.85.200113.1E211 S212 I213E211-Q215 WeakPolarHBondContact O-CG 3.16Å; E211-Q215 PolarHBondContact O-N 3.2Å; S212-Q215 PolarHBondContact O-N 3.15Å; I213-Q215 PolarHBondContact O-N 3.33Å
216N69.3Low80.2Confident93 Ų9385 Ų8550%0.49744%0.436SS..SBendtrans-124.4117.9-178.4-58.5-56000108.6S212 I213 D218S212-N216 PolarHBondContact O-N 3.34Å; I213-N216 CarbonylContact C-O 3.59Å; I213-N216 CarbonylContact O-C 3.52Å; N216-D218 PolarHBondContact O-N 3Å
217D63Low80.3Confident182 Ų18285.3 Ų85.397%0.97344%0.438SS*.  trans-7034.2-172.2-126.4-0.7000113.9
218D60.9Low80.5Confident122 Ų12285.7 Ų85.765%0.65243%0.434SS*.  trans-99.2150.5-175.6-101.7-30.8000113.2N216 D220N216-D218 PolarHBondContact O-N 3Å; D218-D220 PolarHBondContact O-N 3.49Å
219E58Low80.8Confident179 Ų17983.9 Ų83.984%0.83643%0.428SS*.SBendtrans-73.837.5-169.8-67.4-170.5153.800116.3F221E219-F221 VanDerWaalsContact C-N 3.34Å; E219-F221 PolarHBondContact O-N 3.46Å
220D67.9Low81.1Confident85 Ų8582.9 Ų82.946%0.45542%0.419SS..THydrogen-bonded Turntrans-92.219-173.1-85.4-12.2000115.1I213 D218 N222 Y223I213-D220 HydrophobicContact CG1-CB 4.49Å; D218-D220 PolarHBondContact O-N 3.49Å; D220-N222 PolarHBondContact O-N 2.96Å; D220-N222 VanDerWaalsContact O-N 3.11Å; D220-Y223 HydrophobicContact CB-CD2 3.84Å; D220-Y223 HydrophobicContact CB-CE2 4.39Å; D220-Y223 PolarHBondContact O-N 3.06Å; D220-Y223 VanDerWaalsContact O-N 3.09Å; D220-Y223 VanDerWaalsContact OD1-CE2 3.31Å; D220-Y223 WeakPolarHBondContact OD1-CE2 3.32Å
221F81.3Confident81.4Confident131 Ų13180 Ų8058%0.57541%0.405SS*.Hα-helixtrans-58.6-27.6179.2-169.7-107.7000113.3E219 Y223 V224 I225E219-F221 VanDerWaalsContact C-N 3.34Å; E219-F221 PolarHBondContact O-N 3.46Å; F221-Y223 VanDerWaalsContact C-N 3.29Å; F221-Y223 PolarHBondContact O-N 3.01Å; F221-V224 WeakPolarHBondContact O-CB 3.48Å; F221-V224 PolarHBondContact O-N 3.44Å; F221-I225 HydrophobicContact CD1-CD1 3.46Å; F221-I225 VanDerWaalsContact CD1-CD1 3.46Å; F221-I225 HydrophobicContact CD1-CG1 3.96Å; F221-I225 HydrophobicContact CE1-CD1 3.48Å; F221-I225 VanDerWaalsContact CE1-CD1 3.48Å; F221-I225 HydrophobicContact CE1-CG1 3.76Å; F221-I225 HydrophobicContact CZ-CG1 4.4Å; F221-I225 WeakPolarHBondContact O-CG1 3.31Å; F221-I225 PolarHBondContact O-N 3.14Å; F221-I225 VanDerWaalsContact O-N 3.08Å
222N85.7Confident81.8Confident86 Ų8677.5 Ų77.546%0.4640%0.403SS..Hα-helixtrans-63-34.6178.2-65.9-37.2000112.6D220 I225 A226 Y265D220-N222 PolarHBondContact O-N 2.96Å; D220-N222 VanDerWaalsContact O-N 3.11Å; N222-I225 PolarHBondContact O-N 3.47Å; N222-A226 PolarHBondContact O-N 3.26Å; N222-Y265 HydrophobicContact CB-CE1 3.85Å; N222-Y265 WeakPolarHBondContact CB-OH 3.35Å
223Y86.8Confident82.5Confident45 Ų4574.9 Ų74.918%0.17639%0.385CS..Hα-helixtrans-69.1-38.9176.6-64.5-55.5000111.7D220 F221 I225 A226 F227 Y265 L266 L269D220-Y223 HydrophobicContact CB-CD2 3.84Å; D220-Y223 HydrophobicContact CB-CE2 4.39Å; D220-Y223 PolarHBondContact O-N 3.06Å; D220-Y223 VanDerWaalsContact O-N 3.09Å; D220-Y223 VanDerWaalsContact OD1-CE2 3.31Å; D220-Y223 WeakPolarHBondContact OD1-CE2 3.32Å; F221-Y223 VanDerWaalsContact C-N 3.29Å; F221-Y223 PolarHBondContact O-N 3.01Å; Y223-I225 PolarHBondContact O-N 3.36Å; Y223-A226 WeakPolarHBondContact O-CB 3.4Å; Y223-A226 PolarHBondContact O-N 3.22Å; Y223-F227 WeakPolarHBondContact O-CD2 3.48Å; Y223-F227 PolarHBondContact O-N 3.17Å; Y223-Y265 HydrophobicContact CD1-CD1 4Å; Y223-Y265 AromaticContact CD1-CE1 3.76Å; Y223-Y265 HydrophobicContact CD1-CE1 3.76Å; Y223-Y265 HydrophobicContact CE1-CD1 4.25Å; Y223-Y265 AromaticContact CE1-CE1 3.93Å; Y223-Y265 HydrophobicContact CE1-CE1 3.93Å; Y223-L266 HydrophobicContact CD1-CD2 3.86Å; Y223-L266 HydrophobicContact CG-CD2 4.44Å; Y223-L269 HydrophobicContact CD1-CD1 3.6Å; Y223-L269 HydrophobicContact CD2-CD1 4.01Å; Y223-L269 HydrophobicContact CE1-CD1 4.07Å; Y223-L269 HydrophobicContact CE2-CD1 4.45Å; Y223-L269 HydrophobicContact CG-CD1 3.55Å
224V88.9Confident83.1Confident6 Ų672.9 Ų72.94%0.03638%0.375CS..Hα-helixtrans-56.9-52.1172.5177.40000109.7A209 I210 I213 F221 A226 F227 F228A209-V224 HydrophobicContact CB-CG2 3.81Å; I210-V224 HydrophobicContact CD1-CG1 3.88Å; I210-V224 HydrophobicContact CG1-CB 4.44Å; I210-V224 HydrophobicContact CG1-CG1 3.52Å; I210-V224 HydrophobicContact CG1-CG2 3.98Å; I213-V224 HydrophobicContact CD1-CG2 3.43Å; I213-V224 VanDerWaalsContact CD1-CG2 3.43Å; F221-V224 WeakPolarHBondContact O-CB 3.48Å; F221-V224 PolarHBondContact O-N 3.44Å; V224-A226 VanDerWaalsContact C-N 3.25Å; V224-A226 PolarHBondContact O-N 3.22Å; V224-F227 PolarHBondContact O-N 3.33Å; V224-F228 HydrophobicContact CG1-CD2 3.68Å; V224-F228 HydrophobicContact CG1-CE2 3.65Å; V224-F228 VanDerWaalsContact O-CD2 3.3Å; V224-F228 WeakPolarHBondContact O-CD2 3.47Å; V224-F228 PolarHBondContact O-N 3.35Å
225I89.6Confident83.7Confident67 Ų6769.8 Ų69.834%0.34436%0.359SS..Hα-helixtrans-54.5-44.2177.9-66.5163.8000110.8F221 N222 Y223 F227 F228 L229F221-I225 HydrophobicContact CD1-CD1 3.46Å; F221-I225 VanDerWaalsContact CD1-CD1 3.46Å; F221-I225 HydrophobicContact CD1-CG1 3.96Å; F221-I225 HydrophobicContact CE1-CD1 3.48Å; F221-I225 VanDerWaalsContact CE1-CD1 3.48Å; F221-I225 HydrophobicContact CE1-CG1 3.76Å; F221-I225 HydrophobicContact CZ-CG1 4.4Å; F221-I225 WeakPolarHBondContact O-CG1 3.31Å; F221-I225 PolarHBondContact O-N 3.14Å; F221-I225 VanDerWaalsContact O-N 3.08Å; N222-I225 PolarHBondContact O-N 3.47Å; Y223-I225 PolarHBondContact O-N 3.36Å; I225-F227 PolarHBondContact O-N 2.84Å; I225-F228 PolarHBondContact O-N 3.02Å; I225-L229 HydrophobicContact CG2-CD1 3.57Å; I225-L229 HydrophobicContact CG2-CG 4.15Å; I225-L229 WeakPolarHBondContact O-CB 3.28Å; I225-L229 WeakPolarHBondContact O-CG 3.45Å; I225-L229 PolarHBondContact O-N 2.97Å
226A91.3Very high84.4Confident6 Ų667.6 Ų67.65%0.0535%0.345CS..Hα-helixtrans-62.7-39.2178.700000113.1N222 Y223 V224 G230 Y265 L266N222-A226 PolarHBondContact O-N 3.26Å; Y223-A226 WeakPolarHBondContact O-CB 3.4Å; Y223-A226 PolarHBondContact O-N 3.22Å; V224-A226 VanDerWaalsContact C-N 3.25Å; V224-A226 PolarHBondContact O-N 3.22Å; A226-G230 PolarHBondContact O-N 3.3Å; A226-Y265 HydrophobicContact CB-CD1 3.75Å; A226-L266 HydrophobicContact CB-CD1 4.05Å; A226-L266 HydrophobicContact CB-CD2 4.03Å; A226-L266 HydrophobicContact CB-CG 3.86Å
227F92.5Very high85.5Confident7 Ų763.2 Ų63.23%0.03132%0.322CS..Hα-helixtrans-64.2-43.7174.4-77-68.2000112.4R205 A209 Y223 V224 I225 G230 T231 L266 L269R205-F227 HydrophobicContact CB-CD1 3.74Å; R205-F227 HydrophobicContact CB-CE1 3.36Å; R205-F227 HydrophobicContact CB-CE2 4.36Å; R205-F227 HydrophobicContact CB-CG 4.39Å; R205-F227 HydrophobicContact CB-CZ 3.74Å; R205-F227 HydrophobicContact CG-CE1 4.21Å; A209-F227 HydrophobicContact CB-CD2 4.46Å; A209-F227 HydrophobicContact CB-CE2 4.44Å; Y223-F227 WeakPolarHBondContact O-CD2 3.48Å; Y223-F227 PolarHBondContact O-N 3.17Å; V224-F227 PolarHBondContact O-N 3.33Å; I225-F227 PolarHBondContact O-N 2.84Å; F227-G230 PolarHBondContact O-N 2.87Å; F227-T231 PolarHBondContact O-N 3.3Å; F227-T231 PolarHBondContact O-OG1 3.1Å; F227-L266 HydrophobicContact CD1-CD1 3.69Å; F227-L266 HydrophobicContact CD2-CD1 4.38Å; F227-L266 HydrophobicContact CD2-CD2 4Å; F227-L266 HydrophobicContact CE1-CD1 3.73Å; F227-L266 HydrophobicContact CE1-CD2 4.27Å; F227-L266 HydrophobicContact CE2-CD1 4.39Å; F227-L266 HydrophobicContact CE2-CD2 3.6Å; F227-L266 HydrophobicContact CG-CD1 4.01Å; F227-L266 HydrophobicContact CG-CD2 4.45Å; F227-L266 HydrophobicContact CZ-CD1 4.07Å; F227-L266 HydrophobicContact CZ-CD2 3.74Å; F227-L266 HydrophobicContact CZ-CG 4.49Å; F227-L269 HydrophobicContact CE2-CD1 4.3Å
228F92.9Very high86.8Confident80 Ų8055.2 Ų55.235%0.35128%0.28SS..Hα-helixtrans-70.4-39.1178.6-80-85.4000112.5L203 I210 V224 I225 T231 A232L203-F228 HydrophobicContact CD1-CD1 4.15Å; L203-F228 HydrophobicContact CD1-CE1 3.5Å; L203-F228 VanDerWaalsContact CD1-CE1 3.5Å; L203-F228 HydrophobicContact CD1-CZ 4.04Å; I210-F228 HydrophobicContact CD1-CE2 3.58Å; I210-F228 HydrophobicContact CD1-CZ 3.82Å; V224-F228 HydrophobicContact CG1-CD2 3.68Å; V224-F228 HydrophobicContact CG1-CE2 3.65Å; V224-F228 VanDerWaalsContact O-CD2 3.3Å; V224-F228 WeakPolarHBondContact O-CD2 3.47Å; V224-F228 PolarHBondContact O-N 3.35Å; I225-F228 PolarHBondContact O-N 3.02Å; F228-T231 WeakPolarHBondContact O-CB 3.46Å; F228-T231 PolarHBondContact O-N 3.43Å; F228-A232 WeakPolarHBondContact O-CB 3.32Å; F228-A232 PolarHBondContact O-N 3.11Å
229L93.8Very high88.2Confident73 Ų7355.2 Ų55.238%0.38227%0.272SS..Hα-helixtrans-59.9-46.1172.7-79.9166.6000111.4I225 T231 A232 A233 L258I225-L229 HydrophobicContact CG2-CD1 3.57Å; I225-L229 HydrophobicContact CG2-CG 4.15Å; I225-L229 WeakPolarHBondContact O-CB 3.28Å; I225-L229 WeakPolarHBondContact O-CG 3.45Å; I225-L229 PolarHBondContact O-N 2.97Å; L229-T231 VanDerWaalsContact C-N 3.29Å; L229-T231 PolarHBondContact O-N 2.95Å; L229-A232 PolarHBondContact O-N 3.26Å; L229-A233 WeakPolarHBondContact O-CB 3.37Å; L229-A233 PolarHBondContact O-N 2.98Å; L229-L258 HydrophobicContact CD2-CD1 4.36Å; L229-L258 HydrophobicContact CD2-CD2 4.26Å
230G91.6Very high89.6Confident1 Ų146.7 Ų46.71%0.0123%0.232CC..Hα-helixtrans-61.1-37.9175.400000112.7A226 F227 C234 S262A226-G230 PolarHBondContact O-N 3.3Å; F227-G230 PolarHBondContact O-N 2.87Å; G230-C234 PolarHBondContact O-N 3Å; G230-C234 PolarHBondContact O-SG 2.9Å; G230-S262 PolarHBondContact N-OG 2.99Å
231T93.3Very high90.5Very high11 Ų1143.2 Ų43.27%0.06721%0.213CC..Hα-helixtrans-65-51.5175.5-56.70000111.5G199 N202 L203 F227 F228 L229 A233 C234 L235G199-T231 PolarHBondContact O-OG1 3.45Å; N202-T231 WeakPolarHBondContact CB-OG1 3.32Å; L203-T231 HydrophobicContact CB-CG2 4.11Å; L203-T231 PolarHBondContact N-OG1 3.32Å; F227-T231 PolarHBondContact O-N 3.3Å; F227-T231 PolarHBondContact O-OG1 3.1Å; F228-T231 WeakPolarHBondContact O-CB 3.46Å; F228-T231 PolarHBondContact O-N 3.43Å; L229-T231 VanDerWaalsContact C-N 3.29Å; L229-T231 PolarHBondContact O-N 2.95Å; T231-A233 VanDerWaalsContact C-N 3.29Å; T231-A233 PolarHBondContact O-N 3.27Å; T231-C234 PolarHBondContact O-N 2.86Å; T231-L235 HydrophobicContact CG2-CD1 4.32Å; T231-L235 PolarHBondContact O-N 3.33Å; T231-L235 VanDerWaalsContact O-N 3.08Å
232A94.1Very high90.6Very high57 Ų5739.6 Ų39.647%0.47121%0.207SC..Hα-helixtrans-59.4-41.2179.300000111.4F228 L229 L235 Y236F228-A232 WeakPolarHBondContact O-CB 3.32Å; F228-A232 PolarHBondContact O-N 3.11Å; L229-A232 PolarHBondContact O-N 3.26Å; A232-L235 PolarHBondContact O-N 3.47Å; A232-Y236 WeakPolarHBondContact O-CB 3.36Å; A232-Y236 PolarHBondContact O-N 3.42Å
233A93.8Very high90.3Very high3 Ų342.4 Ų42.43%0.02521%0.212CC..Hα-helixtrans-62.8-42.6177.500000112.7L229 T231 Y236 Q237 L258 I259L229-A233 WeakPolarHBondContact O-CB 3.37Å; L229-A233 PolarHBondContact O-N 2.98Å; T231-A233 VanDerWaalsContact C-N 3.29Å; T231-A233 PolarHBondContact O-N 3.27Å; A233-Y236 PolarHBondContact O-N 3.39Å; A233-Q237 WeakPolarHBondContact O-CG 3.46Å; A233-Q237 PolarHBondContact O-N 3.17Å; A233-L258 HydrophobicContact CB-CB 4.27Å; A233-L258 HydrophobicContact CB-CD2 3.98Å; A233-L258 HydrophobicContact CB-CG 4.18Å; A233-I259 HydrophobicContact CB-CD1 4.3Å; A233-I259 HydrophobicContact CB-CG1 3.61Å
234C92.9Very high89.7Confident4 Ų443.6 Ų43.63%0.02722%0.219CC..Hα-helixtrans-63.9-45.5177.1-65.80000111.8S195 G230 T231 Y236 Q237 C238S195-C234 PolarHBondContact OG-O 3.34Å; G230-C234 PolarHBondContact O-N 3Å; G230-C234 PolarHBondContact O-SG 2.9Å; T231-C234 PolarHBondContact O-N 2.86Å; C234-Y236 VanDerWaalsContact C-N 3.32Å; C234-Y236 PolarHBondContact O-N 3.44Å; C234-Q237 PolarHBondContact O-N 3.3Å; C234-C238 PolarHBondContact O-N 3.37Å; C234-C238 VanDerWaalsContact O-N 3.14Å; C234-C238 PolarHBondContact O-SG 3.12Å
235L92.6Very high89Confident92 Ų9244.6 Ų44.648%0.48223%0.226SC..Hα-helixtrans-65.1-37.5176.5-65.9178.7000111.8T231 A232 C238 Y239T231-L235 HydrophobicContact CG2-CD1 4.32Å; T231-L235 PolarHBondContact O-N 3.33Å; T231-L235 VanDerWaalsContact O-N 3.08Å; A232-L235 PolarHBondContact O-N 3.47Å; L235-C238 WeakPolarHBondContact O-CB 3.48Å; L235-C238 PolarHBondContact O-N 2.93Å; L235-Y239 PolarHBondContact O-N 3.44Å
236Y92.2Very high87.9Confident90 Ų9048.3 Ų48.335%0.35325%0.245SC..Hα-helixtrans-66.1-37.3176.6-170.4-117.7000112.1A232 A233 C234 Y239 L240 K251 A255A232-Y236 WeakPolarHBondContact O-CB 3.36Å; A232-Y236 PolarHBondContact O-N 3.42Å; A233-Y236 PolarHBondContact O-N 3.39Å; C234-Y236 VanDerWaalsContact C-N 3.32Å; C234-Y236 PolarHBondContact O-N 3.44Å; Y236-Y239 HydrophobicContact CD2-CD1 4.22Å; Y236-Y239 HydrophobicContact CE2-CD1 4.12Å; Y236-Y239 PolarHBondContact O-N 3.08Å; Y236-L240 HydrophobicContact CD1-CD1 3.85Å; Y236-L240 HydrophobicContact CD1-CG 4.28Å; Y236-L240 HydrophobicContact CE1-CD1 3.57Å; Y236-L240 HydrophobicContact CE1-CD2 4.35Å; Y236-L240 HydrophobicContact CE1-CG 4.02Å; Y236-L240 HydrophobicContact CE2-CD2 4.47Å; Y236-L240 HydrophobicContact CE2-CG 4.43Å; Y236-L240 WeakPolarHBondContact O-CB 3.43Å; Y236-L240 VanDerWaalsContact O-CG 3.3Å; Y236-L240 WeakPolarHBondContact O-CG 3.49Å; Y236-L240 PolarHBondContact O-N 3.14Å; Y236-K251 HydrophobicContact CE1-CB 4.21Å; Y236-K251 WeakPolarHBondContact OH-CD 3.28Å; Y236-A255 HydrophobicContact CD1-CB 4.01Å
237Q92.7Very high87.2Confident0 Ų056.4 Ų56.40%027%0.274CS..Hα-helixtrans-61.8-42.5170.4-73-173.8-37.100111.8A233 C234 Y239 L240 F241 A255 I259 G282 M285 T286 I289A233-Q237 WeakPolarHBondContact O-CG 3.46Å; A233-Q237 PolarHBondContact O-N 3.17Å; C234-Q237 PolarHBondContact O-N 3.3Å; Q237-Y239 VanDerWaalsContact C-N 3.34Å; Q237-Y239 PolarHBondContact O-N 3.15Å; Q237-L240 PolarHBondContact O-N 3.3Å; Q237-F241 WeakPolarHBondContact O-CB 3.37Å; Q237-F241 PolarHBondContact O-N 3.47Å; Q237-A255 HydrophobicContact CG-CB 3.75Å; Q237-I259 HydrophobicContact CG-CD1 4.41Å; Q237-G282 PolarHBondContact NE2-O 3.09Å; Q237-G282 VanDerWaalsContact NE2-O 3.11Å; Q237-M285 HydrophobicContact CB-CG 3.85Å; Q237-T286 PolarHBondContact NE2-OG1 2.94Å; Q237-I289 HydrophobicContact CB-CD1 4.15Å; Q237-I289 WeakPolarHBondContact O-CD1 3.2Å
238C90.8Very high86.6Confident15 Ų1556.7 Ų56.710%0.10128%0.275CS..Hα-helixtrans-62.6-40.4175-64.80000112.2S195 C234 L235 F241 A242S195-C238 VanDerWaalsContact CB-SG 3.59Å; S195-C238 PolarHBondContact OG-SG 3.08Å; C234-C238 PolarHBondContact O-N 3.37Å; C234-C238 VanDerWaalsContact O-N 3.14Å; C234-C238 PolarHBondContact O-SG 3.12Å; L235-C238 WeakPolarHBondContact O-CB 3.48Å; L235-C238 PolarHBondContact O-N 2.93Å; C238-F241 WeakPolarHBondContact O-CB 3.36Å; C238-F241 PolarHBondContact O-N 3.35Å; C238-A242 WeakPolarHBondContact O-CB 3.48Å; C238-A242 PolarHBondContact O-N 2.99Å
239Y89.1Confident86.1Confident121 Ų12155.9 Ų55.948%0.47527%0.274SS..Hα-helixtrans-62.2-48.9174.4172.7-95.2000111.9L235 Y236 Q237 F241 A242 Y243L235-Y239 PolarHBondContact O-N 3.44Å; Y236-Y239 HydrophobicContact CD2-CD1 4.22Å; Y236-Y239 HydrophobicContact CE2-CD1 4.12Å; Y236-Y239 PolarHBondContact O-N 3.08Å; Q237-Y239 VanDerWaalsContact C-N 3.34Å; Q237-Y239 PolarHBondContact O-N 3.15Å; Y239-F241 PolarHBondContact O-N 3.22Å; Y239-A242 PolarHBondContact O-N 3.18Å; Y239-A242 VanDerWaalsContact O-N 3.12Å; Y239-Y243 AromaticContact CD2-CD2 3.48Å; Y239-Y243 HydrophobicContact CD2-CD2 3.48Å; Y239-Y243 VanDerWaalsContact CD2-CD2 3.48Å; Y239-Y243 AromaticContact CD2-CE2 3.95Å; Y239-Y243 HydrophobicContact CD2-CE2 3.95Å; Y239-Y243 HydrophobicContact CD2-CG 4.39Å; Y239-Y243 AromaticContact CE2-CD2 3.45Å; Y239-Y243 HydrophobicContact CE2-CD2 3.45Å; Y239-Y243 VanDerWaalsContact CE2-CD2 3.45Å; Y239-Y243 AromaticContact CE2-CE2 3.99Å; Y239-Y243 HydrophobicContact CE2-CE2 3.99Å; Y239-Y243 AromaticContact CE2-CG 3.98Å; Y239-Y243 HydrophobicContact CE2-CG 3.98Å; Y239-Y243 HydrophobicContact CG-CD2 4.29Å; Y239-Y243 PolarHBondContact O-N 2.97Å
240L87.4Confident85.7Confident1 Ų156 Ų561%0.00528%0.281CS..Hα-helixtrans-63.6-28.5176.9-71.6177.2000112.6Y236 Q237 Y243 R248 K251 I289Y236-L240 HydrophobicContact CD1-CD1 3.85Å; Y236-L240 HydrophobicContact CD1-CG 4.28Å; Y236-L240 HydrophobicContact CE1-CD1 3.57Å; Y236-L240 HydrophobicContact CE1-CD2 4.35Å; Y236-L240 HydrophobicContact CE1-CG 4.02Å; Y236-L240 HydrophobicContact CE2-CD2 4.47Å; Y236-L240 HydrophobicContact CE2-CG 4.43Å; Y236-L240 WeakPolarHBondContact O-CB 3.43Å; Y236-L240 VanDerWaalsContact O-CG 3.3Å; Y236-L240 WeakPolarHBondContact O-CG 3.49Å; Y236-L240 PolarHBondContact O-N 3.14Å; Q237-L240 PolarHBondContact O-N 3.3Å; L240-Y243 VanDerWaalsContact O-O 3.13Å; L240-R248 HydrophobicContact CB-CG 4.28Å; L240-R248 HydrophobicContact CD2-CG 4.42Å; L240-R248 VanDerWaalsContact O-CD 3.28Å; L240-R248 WeakPolarHBondContact O-CD 3.17Å; L240-K251 HydrophobicContact CD1-CB 3.72Å; L240-K251 HydrophobicContact CD2-CB 4.14Å; L240-K251 HydrophobicContact CD2-CD 4.21Å; L240-I289 HydrophobicContact CB-CD1 4.34Å
241F87.3Confident85.6Confident12 Ų1259.3 Ų59.35%0.05330%0.295CS..Hα-helixtrans-71.3-43.7172.5-178.2-104.8000111.4L181 A184 C192 Q237 C238 Y239 M285 Q288 I289 R292L181-F241 WeakPolarHBondContact CD1-O 3.38Å; A184-F241 HydrophobicContact CB-CE1 4.18Å; A184-F241 HydrophobicContact CB-CZ 4.21Å; C192-F241 HydrophobicContact CB-CD1 4.48Å; Q237-F241 WeakPolarHBondContact O-CB 3.37Å; Q237-F241 PolarHBondContact O-N 3.47Å; C238-F241 WeakPolarHBondContact O-CB 3.36Å; C238-F241 PolarHBondContact O-N 3.35Å; Y239-F241 PolarHBondContact O-N 3.22Å; F241-M285 HydrophobicContact CB-CE 3.12Å; F241-M285 HydrophobicContact CD1-CE 3.86Å; F241-M285 HydrophobicContact CD2-CE 3.75Å; F241-M285 HydrophobicContact CG-CE 3.3Å; F241-Q288 HydrophobicContact CE2-CB 4.09Å; F241-I289 HydrophobicContact CB-CD1 4.34Å; F241-I289 HydrophobicContact CB-CG1 3.81Å; F241-I289 HydrophobicContact CD2-CG1 3.96Å; F241-I289 HydrophobicContact CG-CG1 4.39Å; F241-R292 HydrophobicContact CE2-CB 4.42Å; F241-R292 PolarHBondContact O-NH1 3.29Å
242A83.7Confident85.5Confident55 Ų5558.8 Ų58.846%0.45529%0.292SS..Hα-helixtrans-73.7-36.5-177.200000113.6C238 Y239C238-A242 WeakPolarHBondContact O-CB 3.48Å; C238-A242 PolarHBondContact O-N 2.99Å; Y239-A242 PolarHBondContact O-N 3.18Å; Y239-A242 VanDerWaalsContact O-N 3.12Å
243Y78.3Confident85.4Confident144 Ų14460.2 Ų60.257%0.56529%0.288SS*.SBendtrans-117.3146.4-170.9-65.3-81.6000113.3Y239 L240Y239-Y243 AromaticContact CD2-CD2 3.48Å; Y239-Y243 HydrophobicContact CD2-CD2 3.48Å; Y239-Y243 VanDerWaalsContact CD2-CD2 3.48Å; Y239-Y243 AromaticContact CD2-CE2 3.95Å; Y239-Y243 HydrophobicContact CD2-CE2 3.95Å; Y239-Y243 HydrophobicContact CD2-CG 4.39Å; Y239-Y243 AromaticContact CE2-CD2 3.45Å; Y239-Y243 HydrophobicContact CE2-CD2 3.45Å; Y239-Y243 VanDerWaalsContact CE2-CD2 3.45Å; Y239-Y243 AromaticContact CE2-CE2 3.99Å; Y239-Y243 HydrophobicContact CE2-CE2 3.99Å; Y239-Y243 AromaticContact CE2-CG 3.98Å; Y239-Y243 HydrophobicContact CE2-CG 3.98Å; Y239-Y243 HydrophobicContact CG-CD2 4.29Å; Y239-Y243 PolarHBondContact O-N 2.97Å; L240-Y243 VanDerWaalsContact O-O 3.13Å
244F74.1Confident85.4Confident71 Ų7166.1 Ų66.131%0.31132%0.318SS..  trans-73137.2175.9178-93.7000111.8Q179 L181 I246 P294Q179-F244 HydrophobicContact CB-CB 4.49Å; Q179-F244 HydrophobicContact CB-CD1 4.02Å; Q179-F244 HydrophobicContact CB-CD2 3.99Å; Q179-F244 HydrophobicContact CB-CE1 4.29Å; Q179-F244 HydrophobicContact CB-CE2 4.23Å; Q179-F244 HydrophobicContact CB-CG 3.88Å; Q179-F244 HydrophobicContact CB-CZ 4.38Å; Q179-F244 WeakPolarHBondContact O-CB 3.49Å; L181-F244 HydrophobicContact CD2-CB 4.4Å; L181-F244 HydrophobicContact CD2-CD2 4.05Å; F244-I246 HydrophobicContact CE1-CG1 4.19Å; F244-P294 HydrophobicContact CD2-CB 4.14Å; F244-P294 HydrophobicContact CE2-CB 3.95Å; F244-P294 HydrophobicContact CE2-CG 4.39Å
245S74.9Confident85.3Confident27 Ų2766.2 Ų66.219%0.18932%0.32CS..  trans-144139.8171.3-161.50000110.2W247 R248 K251S245-W247 PolarHBondContact O-N 3.35Å; S245-W247 VanDerWaalsContact O-N 3.17Å; S245-R248 VanDerWaalsContact O-CB 3.25Å; S245-R248 WeakPolarHBondContact O-CB 3.49Å; S245-R248 PolarHBondContact O-N 3.31Å; S245-R248 VanDerWaalsContact O-N 3.1Å; S245-K251 PolarHBondContact OG-NZ 2.88Å
246I67.4Low85.5Confident144 Ų14464.1 Ų64.174%0.73831%0.306SS*.THydrogen-bonded Turntrans-59.4-32.6-176.2-60.7168.3000111.9F244F244-I246 HydrophobicContact CE1-CG1 4.19Å
247W75.5Confident85.6Confident176 Ų17661.9 Ų61.967%0.66731%0.307SS*.THydrogen-bonded Turntrans-109.427.5-178.6-67.361.5000112.2S245 N249 S250 K251S245-W247 PolarHBondContact O-N 3.35Å; S245-W247 VanDerWaalsContact O-N 3.17Å; W247-N249 VanDerWaalsContact C-N 3.31Å; W247-N249 PolarHBondContact O-N 3.48Å; W247-S250 PolarHBondContact O-N 3.28Å; W247-K251 HydrophobicContact CB-CD 4.2Å; W247-K251 HydrophobicContact CB-CG 4.27Å; W247-K251 WeakPolarHBondContact O-CB 3.34Å; W247-K251 WeakPolarHBondContact O-CG 3.45Å; W247-K251 PolarHBondContact O-N 3.2Å
248R80.9Confident85.7Confident14 Ų1464.7 Ų64.75%0.05332%0.321CS..Hα-helixtrans-53.8-43-170-171.7-171.168.9-172.4-1.6113.5L240 S245 S252 I289 R292L240-R248 HydrophobicContact CB-CG 4.28Å; L240-R248 HydrophobicContact CD2-CG 4.42Å; L240-R248 VanDerWaalsContact O-CD 3.28Å; L240-R248 WeakPolarHBondContact O-CD 3.17Å; S245-R248 VanDerWaalsContact O-CB 3.25Å; S245-R248 WeakPolarHBondContact O-CB 3.49Å; S245-R248 PolarHBondContact O-N 3.31Å; S245-R248 VanDerWaalsContact O-N 3.1Å; R248-S252 VanDerWaalsContact O-CB 3.26Å; R248-S252 WeakPolarHBondContact O-CB 3.45Å; R248-S252 PolarHBondContact O-N 2.86Å; R248-I289 HydrophobicContact CG-CG2 3.69Å; R248-I289 PolarHBondContact NE-O 3.43Å; R248-I289 PolarHBondContact NH2-O 3.24Å; R248-R292 PolarHBondContact NH1-O 2.9Å; R248-R292 PolarHBondContact NH2-O 3.29Å
249N82Confident85.8Confident62 Ų6264 Ų6433%0.33232%0.316SS..Hα-helixtrans-64.1-54.3179.1-71.4-26.5000110.7W247 K251 S252 F253W247-N249 VanDerWaalsContact C-N 3.31Å; W247-N249 PolarHBondContact O-N 3.48Å; N249-K251 VanDerWaalsContact C-N 3.29Å; N249-K251 PolarHBondContact O-N 2.9Å; N249-S252 WeakPolarHBondContact O-CB 3.46Å; N249-S252 PolarHBondContact O-N 3.26Å; N249-F253 VanDerWaalsContact O-CD2 3.31Å; N249-F253 WeakPolarHBondContact O-CD2 3.33Å; N249-F253 PolarHBondContact O-N 3.11Å
250S85.5Confident86.1Confident75 Ų7559.7 Ų59.752%0.52430%0.304SS..Hα-helixtrans-57.1-42.7178.9-164.80000112.3W247 S252 F253 L254W247-S250 PolarHBondContact O-N 3.28Å; S250-S252 VanDerWaalsContact C-N 3.34Å; S250-S252 PolarHBondContact O-N 2.97Å; S250-F253 PolarHBondContact O-N 3.01Å; S250-L254 PolarHBondContact O-N 3.35Å
251K88.6Confident86.3Confident72 Ų7264.8 Ų64.831%0.31333%0.331SS..Hα-helixtrans-64.2-36.9177.1-70.1172.4171.6-176.70112.5Y236 L240 S245 W247 N249 L254 A255Y236-K251 HydrophobicContact CE1-CB 4.21Å; Y236-K251 WeakPolarHBondContact OH-CD 3.28Å; L240-K251 HydrophobicContact CD1-CB 3.72Å; L240-K251 HydrophobicContact CD2-CB 4.14Å; L240-K251 HydrophobicContact CD2-CD 4.21Å; S245-K251 PolarHBondContact OG-NZ 2.88Å; W247-K251 HydrophobicContact CB-CD 4.2Å; W247-K251 HydrophobicContact CB-CG 4.27Å; W247-K251 WeakPolarHBondContact O-CB 3.34Å; W247-K251 WeakPolarHBondContact O-CG 3.45Å; W247-K251 PolarHBondContact O-N 3.2Å; N249-K251 VanDerWaalsContact C-N 3.29Å; N249-K251 PolarHBondContact O-N 2.9Å; K251-L254 PolarHBondContact O-N 2.85Å; K251-A255 WeakPolarHBondContact O-CB 3.49Å; K251-A255 PolarHBondContact O-N 3.45Å
252S90.8Very high86.5Confident0 Ų064.6 Ų64.60%033%0.331CS..Hα-helixtrans-70-36.3176.7-179.30000112.6R248 N249 S250 A255 F256 T286 I289R248-S252 VanDerWaalsContact O-CB 3.26Å; R248-S252 WeakPolarHBondContact O-CB 3.45Å; R248-S252 PolarHBondContact O-N 2.86Å; N249-S252 WeakPolarHBondContact O-CB 3.46Å; N249-S252 PolarHBondContact O-N 3.26Å; S250-S252 VanDerWaalsContact C-N 3.34Å; S250-S252 PolarHBondContact O-N 2.97Å; S252-A255 PolarHBondContact O-N 3.01Å; S252-F256 WeakPolarHBondContact O-CB 3.3Å; S252-F256 PolarHBondContact O-N 2.9Å; S252-T286 PolarHBondContact O-OG1 3.36Å; S252-T286 PolarHBondContact OG-OG1 3.4Å; S252-I289 WeakPolarHBondContact OG-CD1 3.49Å
253F92.3Very high86.8Confident87 Ų8762 Ų6238%0.38231%0.309SS..Hα-helixtrans-66.9-41.6172.4-86.1-92.3000111.7N249 S250 A255 F256 A257 T286 R290N249-F253 VanDerWaalsContact O-CD2 3.31Å; N249-F253 WeakPolarHBondContact O-CD2 3.33Å; N249-F253 PolarHBondContact O-N 3.11Å; S250-F253 PolarHBondContact O-N 3.01Å; F253-A255 VanDerWaalsContact C-N 3.34Å; F253-A255 PolarHBondContact O-N 3.33Å; F253-F256 PolarHBondContact O-N 2.98Å; F253-A257 PolarHBondContact O-N 3.44Å; F253-T286 HydrophobicContact CD2-CG2 4.02Å; F253-T286 HydrophobicContact CE1-CG2 4.32Å; F253-T286 HydrophobicContact CE2-CG2 3.47Å; F253-T286 VanDerWaalsContact CE2-CG2 3.47Å; F253-T286 HydrophobicContact CZ-CG2 3.69Å; F253-R290 HydrophobicContact CE2-CG 3.98Å; F253-R290 VanDerWaalsContact CZ-NE 3.29Å
254L93.5Very high87.4Confident127 Ų12761.4 Ų61.467%0.66531%0.313SS*.Hα-helixtrans-62.9-42.7176.3-173.862.3000111.4S250 K251 F256 A257 L258S250-L254 PolarHBondContact O-N 3.35Å; K251-L254 PolarHBondContact O-N 2.85Å; L254-F256 VanDerWaalsContact C-N 3.33Å; L254-F256 PolarHBondContact O-N 2.91Å; L254-A257 PolarHBondContact O-N 3.29Å; L254-L258 PolarHBondContact O-N 3.25Å
255A92.6Very high88.1Confident6 Ų663.5 Ų63.55%0.0532%0.32CS..Hα-helixtrans-61.8-41174.800000112.1Y236 Q237 K251 S252 F253 L258 I259Y236-A255 HydrophobicContact CD1-CB 4.01Å; Q237-A255 HydrophobicContact CG-CB 3.75Å; K251-A255 WeakPolarHBondContact O-CB 3.49Å; K251-A255 PolarHBondContact O-N 3.45Å; S252-A255 PolarHBondContact O-N 3.01Å; F253-A255 VanDerWaalsContact C-N 3.34Å; F253-A255 PolarHBondContact O-N 3.33Å; A255-L258 WeakPolarHBondContact O-CB 3.38Å; A255-L258 PolarHBondContact O-N 3.5Å; A255-I259 WeakPolarHBondContact O-CG1 3.39Å; A255-I259 PolarHBondContact O-N 3.46Å
256F96Very high88.7Confident47 Ų4762.2 Ų62.221%0.20631%0.311CS..Hα-helixtrans-65-44.2175.6176.6-117.3000112.6S252 F253 L254 L258 I259 C260 V279 G282 A283S252-F256 WeakPolarHBondContact O-CB 3.3Å; S252-F256 PolarHBondContact O-N 2.9Å; F253-F256 PolarHBondContact O-N 2.98Å; L254-F256 VanDerWaalsContact C-N 3.33Å; L254-F256 PolarHBondContact O-N 2.91Å; F256-L258 PolarHBondContact O-N 3.19Å; F256-I259 WeakPolarHBondContact O-CB 3.38Å; F256-I259 PolarHBondContact O-N 2.88Å; F256-I259 VanDerWaalsContact O-N 3.11Å; F256-C260 VanDerWaalsContact CZ-SG 3.51Å; F256-C260 PolarHBondContact O-N 3.33Å; F256-C260 PolarHBondContact O-SG 2.68Å; F256-V279 HydrophobicContact CE2-CG1 4.18Å; F256-V279 WeakPolarHBondContact CE2-O 3.06Å; F256-V279 HydrophobicContact CZ-CG1 4.13Å; F256-G282 VanDerWaalsContact CD2-C 3.48Å; F256-A283 HydrophobicContact CD2-CB 4.47Å; F256-A283 HydrophobicContact CE2-CB 3.69Å; F256-A283 VanDerWaalsContact CE2-N 3.32Å; F256-A283 HydrophobicContact CZ-CB 3.79Å
257A94.1Very high89.7Confident43 Ų4362 Ų6236%0.35530%0.302SS..Hα-helixtrans-58.4-40.7174.900000111.2F253 L254 C260 L261F253-A257 PolarHBondContact O-N 3.44Å; L254-A257 PolarHBondContact O-N 3.29Å; A257-C260 PolarHBondContact O-N 3.42Å; A257-L261 WeakPolarHBondContact O-CB 3.47Å; A257-L261 VanDerWaalsContact O-CG 3.31Å; A257-L261 WeakPolarHBondContact O-CG 3.49Å; A257-L261 PolarHBondContact O-N 2.72Å
258L94.6Very high90.1Very high59 Ų5959.6 Ų59.631%0.30930%0.298SS..Hα-helixtrans-63.1-41.8175.2-171.860.1000112L229 A233 L254 A255 F256 C260 L261 S262L229-L258 HydrophobicContact CD2-CD1 4.36Å; L229-L258 HydrophobicContact CD2-CD2 4.26Å; A233-L258 HydrophobicContact CB-CB 4.27Å; A233-L258 HydrophobicContact CB-CD2 3.98Å; A233-L258 HydrophobicContact CB-CG 4.18Å; L254-L258 PolarHBondContact O-N 3.25Å; A255-L258 WeakPolarHBondContact O-CB 3.38Å; A255-L258 PolarHBondContact O-N 3.5Å; F256-L258 PolarHBondContact O-N 3.19Å; L258-C260 VanDerWaalsContact C-N 3.34Å; L258-C260 PolarHBondContact O-N 3.24Å; L258-L261 PolarHBondContact O-N 3.18Å; L258-S262 WeakPolarHBondContact O-CB 3.31Å; L258-S262 PolarHBondContact O-N 3.07Å; L258-S262 PolarHBondContact O-OG 3.21Å; L258-S262 VanDerWaalsContact O-OG 3.04Å
259I93.7Very high90.2Very high0 Ų063 Ų630%032%0.317CS..Hα-helixtrans-58.9-45.7173.5-67.8167.7000110.8A233 Q237 A255 F256 N263A233-I259 HydrophobicContact CB-CD1 4.3Å; A233-I259 HydrophobicContact CB-CG1 3.61Å; Q237-I259 HydrophobicContact CG-CD1 4.41Å; A255-I259 WeakPolarHBondContact O-CG1 3.39Å; A255-I259 PolarHBondContact O-N 3.46Å; F256-I259 WeakPolarHBondContact O-CB 3.38Å; F256-I259 PolarHBondContact O-N 2.88Å; F256-I259 VanDerWaalsContact O-N 3.11Å; I259-N263 WeakPolarHBondContact O-CB 3.45Å; I259-N263 PolarHBondContact O-N 2.91Å; I259-N263 PolarHBondContact O-ND2 3.36Å
260C93.9Very high90.3Very high31 Ų3160.8 Ų60.821%0.20930%0.304CS..Hα-helixtrans-62.7-46.5178.3-67.90000111.9F256 A257 L258 N263 M264F256-C260 VanDerWaalsContact CZ-SG 3.51Å; F256-C260 PolarHBondContact O-N 3.33Å; F256-C260 PolarHBondContact O-SG 2.68Å; A257-C260 PolarHBondContact O-N 3.42Å; L258-C260 VanDerWaalsContact C-N 3.34Å; L258-C260 PolarHBondContact O-N 3.24Å; C260-N263 PolarHBondContact O-N 3.03Å; C260-M264 WeakPolarHBondContact O-CB 3.44Å; C260-M264 WeakPolarHBondContact O-CG 3.49Å; C260-M264 PolarHBondContact O-N 3.39Å
261L93.2Very high90.5Very high109 Ų10961.4 Ų61.457%0.57130%0.301SS*.Hα-helixtrans-62.9-45.3178.8-71.2170.9000111.7A257 L258 N263 M264 Y265A257-L261 WeakPolarHBondContact O-CB 3.47Å; A257-L261 VanDerWaalsContact O-CG 3.31Å; A257-L261 WeakPolarHBondContact O-CG 3.49Å; A257-L261 PolarHBondContact O-N 2.72Å; L258-L261 PolarHBondContact O-N 3.18Å; L261-N263 VanDerWaalsContact C-N 3.31Å; L261-N263 PolarHBondContact O-N 3.4Å; L261-M264 PolarHBondContact O-N 3.37Å; L261-Y265 WeakPolarHBondContact O-CB 3.34Å; L261-Y265 PolarHBondContact O-N 3.39Å
262S91.5Very high90.5Very high7 Ų763.4 Ų63.45%0.04931%0.314CS..Hα-helixtrans-60.5-40.2175.6-63.20000112.1G230 L258 L266G230-S262 PolarHBondContact N-OG 2.99Å; L258-S262 WeakPolarHBondContact O-CB 3.31Å; L258-S262 PolarHBondContact O-N 3.07Å; L258-S262 PolarHBondContact O-OG 3.21Å; L258-S262 VanDerWaalsContact O-OG 3.04Å; S262-L266 WeakPolarHBondContact O-CB 3.5Å; S262-L266 WeakPolarHBondContact O-CD1 3.4Å; S262-L266 WeakPolarHBondContact O-CG 3.39Å; S262-L266 PolarHBondContact O-N 2.79Å; S262-L266 VanDerWaalsContact O-N 3.17Å
263N90Very high90.4Very high1 Ų172.6 Ų72.61%0.00535%0.349CS..Hα-helixtrans-74.5-33.9178.4-80.8-87000113.1I259 C260 L261 L266 Y267 R270 I275 H278I259-N263 WeakPolarHBondContact O-CB 3.45Å; I259-N263 PolarHBondContact O-N 2.91Å; I259-N263 PolarHBondContact O-ND2 3.36Å; C260-N263 PolarHBondContact O-N 3.03Å; L261-N263 VanDerWaalsContact C-N 3.31Å; L261-N263 PolarHBondContact O-N 3.4Å; N263-L266 CarbonylContact O-C 3.58Å; N263-L266 PolarHBondContact O-N 2.87Å; N263-Y267 PolarHBondContact O-N 2.92Å; N263-R270 PolarHBondContact OD1-NH1 2.88Å; N263-I275 HydrophobicContact CB-CG2 4.29Å; N263-H278 WeakPolarHBondContact OD1-CB 3.4Å
264M90.1Very high90.2Very high132 Ų13271.7 Ų71.765%0.6535%0.346SS*.Hα-helixtrans-66.6-39.1172.6-75.7-137.2-76.600111.5C260 L261 L266 Y267C260-M264 WeakPolarHBondContact O-CB 3.44Å; C260-M264 WeakPolarHBondContact O-CG 3.49Å; C260-M264 PolarHBondContact O-N 3.39Å; L261-M264 PolarHBondContact O-N 3.37Å; M264-L266 PolarHBondContact O-N 3.3Å; M264-Y267 WeakPolarHBondContact O-CB 3.47Å; M264-Y267 WeakPolarHBondContact O-CD1 3.41Å; M264-Y267 PolarHBondContact O-N 3.4Å
265Y90Very high90Very high114 Ų11467.2 Ų67.245%0.44732%0.322SS..Hα-helixtrans-66.1-30.6175.4-164.5-99.3000112.2N222 Y223 A226 L261 Y267N222-Y265 HydrophobicContact CB-CE1 3.85Å; N222-Y265 WeakPolarHBondContact CB-OH 3.35Å; Y223-Y265 HydrophobicContact CD1-CD1 4Å; Y223-Y265 AromaticContact CD1-CE1 3.76Å; Y223-Y265 HydrophobicContact CD1-CE1 3.76Å; Y223-Y265 HydrophobicContact CE1-CD1 4.25Å; Y223-Y265 AromaticContact CE1-CE1 3.93Å; Y223-Y265 HydrophobicContact CE1-CE1 3.93Å; A226-Y265 HydrophobicContact CB-CD1 3.75Å; L261-Y265 WeakPolarHBondContact O-CB 3.34Å; L261-Y265 PolarHBondContact O-N 3.39Å; Y265-Y267 VanDerWaalsContact C-N 3.31Å; Y265-Y267 PolarHBondContact O-N 3.32Å
266L86.9Confident90Very high1 Ų171.6 Ų71.61%0.00534%0.344CS..THydrogen-bonded Turntrans-91.120.2178.3-65.8169.6000113.4Y223 A226 F227 S262 N263 M264 E268 L269 R270Y223-L266 HydrophobicContact CD1-CD2 3.86Å; Y223-L266 HydrophobicContact CG-CD2 4.44Å; A226-L266 HydrophobicContact CB-CD1 4.05Å; A226-L266 HydrophobicContact CB-CD2 4.03Å; A226-L266 HydrophobicContact CB-CG 3.86Å; F227-L266 HydrophobicContact CD1-CD1 3.69Å; F227-L266 HydrophobicContact CD2-CD1 4.38Å; F227-L266 HydrophobicContact CD2-CD2 4Å; F227-L266 HydrophobicContact CE1-CD1 3.73Å; F227-L266 HydrophobicContact CE1-CD2 4.27Å; F227-L266 HydrophobicContact CE2-CD1 4.39Å; F227-L266 HydrophobicContact CE2-CD2 3.6Å; F227-L266 HydrophobicContact CG-CD1 4.01Å; F227-L266 HydrophobicContact CG-CD2 4.45Å; F227-L266 HydrophobicContact CZ-CD1 4.07Å; F227-L266 HydrophobicContact CZ-CD2 3.74Å; F227-L266 HydrophobicContact CZ-CG 4.49Å; S262-L266 WeakPolarHBondContact O-CB 3.5Å; S262-L266 WeakPolarHBondContact O-CD1 3.4Å; S262-L266 WeakPolarHBondContact O-CG 3.39Å; S262-L266 PolarHBondContact O-N 2.79Å; S262-L266 VanDerWaalsContact O-N 3.17Å; N263-L266 CarbonylContact O-C 3.58Å; N263-L266 PolarHBondContact O-N 2.87Å; M264-L266 PolarHBondContact O-N 3.3Å; L266-E268 VanDerWaalsContact C-N 3.29Å; L266-E268 PolarHBondContact O-N 3.45Å; L266-L269 HydrophobicContact CD2-CD1 3.85Å; L266-L269 PolarHBondContact O-N 3.34Å; L266-R270 HydrophobicContact CB-CG 4.26Å; L266-R270 WeakPolarHBondContact O-CB 3.45Å; L266-R270 WeakPolarHBondContact O-CG 3.16Å; L266-R270 PolarHBondContact O-N 3.4Å
267Y87.1Confident89.8Confident140 Ų14073.6 Ų73.655%0.54935%0.353SS..SBendtrans-63.8-32.6-17385.2-82.9000113.4N263 M264 Y265 L269N263-Y267 PolarHBondContact O-N 2.92Å; M264-Y267 WeakPolarHBondContact O-CB 3.47Å; M264-Y267 WeakPolarHBondContact O-CD1 3.41Å; M264-Y267 PolarHBondContact O-N 3.4Å; Y265-Y267 VanDerWaalsContact C-N 3.31Å; Y265-Y267 PolarHBondContact O-N 3.32Å; Y267-L269 VanDerWaalsContact C-N 3.34Å
268E84.1Confident89.8Confident124 Ų12472 Ų7258%0.57934%0.339SS*.THydrogen-bonded Turntrans-73.1-29.4179.2-59.7-173.3177.200112.1L266L266-E268 VanDerWaalsContact C-N 3.29Å; L266-E268 PolarHBondContact O-N 3.45Å
269L82.9Confident89.8Confident87 Ų8771.2 Ų71.246%0.45534%0.336SS..THydrogen-bonded Turntrans-93.6-2-177-65165.8000113Y223 F227 L266 Y267Y223-L269 HydrophobicContact CD1-CD1 3.6Å; Y223-L269 HydrophobicContact CD2-CD1 4.01Å; Y223-L269 HydrophobicContact CE1-CD1 4.07Å; Y223-L269 HydrophobicContact CE2-CD1 4.45Å; Y223-L269 HydrophobicContact CG-CD1 3.55Å; F227-L269 HydrophobicContact CE2-CD1 4.3Å; L266-L269 HydrophobicContact CD2-CD1 3.85Å; L266-L269 PolarHBondContact O-N 3.34Å; Y267-L269 VanDerWaalsContact C-N 3.34Å
270R85.2Confident89.8Confident14 Ų1474 Ų745%0.05336%0.359CS..SBendtrans-131.3138-175.1-65.4-177.1-176.3-139.4-9.7111.4N202 N263 L266 Q274 I275 H278N202-R270 PolarHBondContact OD1-NH1 3.17Å; N202-R270 PolarHBondContact OD1-NH2 3.04Å; N263-R270 PolarHBondContact OD1-NH1 2.88Å; L266-R270 HydrophobicContact CB-CG 4.26Å; L266-R270 WeakPolarHBondContact O-CB 3.45Å; L266-R270 WeakPolarHBondContact O-CG 3.16Å; L266-R270 PolarHBondContact O-N 3.4Å; R270-Q274 HydrophobicContact CB-CB 4.48Å; R270-I275 HydrophobicContact CB-CD1 4.09Å; R270-I275 HydrophobicContact CB-CG1 3.68Å; R270-H278 PolarHBondContact NH1-CD2 3.47Å; R270-H278 PolarHBondContact NH1-NE2 3.45Å
271N88.7Confident89.9Confident89 Ų8973.1 Ų73.148%0.47635%0.352SS..  trans-66.2146.4168.5-171.6-44.7000109.8W273 Q274 I275N271-W273 PolarHBondContact O-N 3Å; N271-W273 VanDerWaalsContact O-N 3.11Å; N271-W273 VanDerWaalsContact OD1-CD1 3.31Å; N271-W273 PolarHBondContact OD1-N 2.93Å; N271-W273 VanDerWaalsContact OD1-N 3.1Å; N271-Q274 HydrophobicContact CB-CG 4.26Å; N271-Q274 WeakPolarHBondContact O-CA 3.22Å; N271-Q274 WeakPolarHBondContact O-CB 3.34Å; N271-Q274 PolarHBondContact O-N 3.42Å; N271-I275 PolarHBondContact O-N 3.35Å; N271-I275 VanDerWaalsContact O-N 3.08Å
272I88.4Confident89.8Confident113 Ų11368 Ų6858%0.57933%0.326SS*.Hα-helixtrans-50.4-37.5176.4-158.2160.9000112.6Q274 I275 L276I272-Q274 VanDerWaalsContact C-N 3.34Å; I272-Q274 PolarHBondContact O-N 3.13Å; I272-I275 PolarHBondContact O-N 3.48Å; I272-L276 WeakPolarHBondContact O-CB 3.22Å; I272-L276 VanDerWaalsContact O-CG 3.28Å; I272-L276 WeakPolarHBondContact O-CG 3.44Å; I272-L276 PolarHBondContact O-N 3.36Å
273W89.3Confident90Very high194 Ų19469.6 Ų69.674%0.73534%0.34SS*.Hα-helixtrans-65.7-34.8176.4-65.8110.5000113.2N271 L276 F277N271-W273 PolarHBondContact O-N 3Å; N271-W273 VanDerWaalsContact O-N 3.11Å; N271-W273 VanDerWaalsContact OD1-CD1 3.31Å; N271-W273 PolarHBondContact OD1-N 2.93Å; N271-W273 VanDerWaalsContact OD1-N 3.1Å; W273-L276 HydrophobicContact CE3-CD1 4.38Å; W273-F277 WeakPolarHBondContact O-CB 3.4Å; W273-F277 PolarHBondContact O-N 3.2Å
274Q88.8Confident90.2Very high68 Ų6873 Ų7332%0.31836%0.355SS..Hα-helixtrans-71.1-43176.5-65.8172.1-10.900110.5R205 R270 N271 I272 F277 H278R205-Q274 VanDerWaalsContact NH2-CD 3.34Å; R205-Q274 VanDerWaalsContact NH2-OE1 3.13Å; R270-Q274 HydrophobicContact CB-CB 4.48Å; N271-Q274 HydrophobicContact CB-CG 4.26Å; N271-Q274 WeakPolarHBondContact O-CA 3.22Å; N271-Q274 WeakPolarHBondContact O-CB 3.34Å; N271-Q274 PolarHBondContact O-N 3.42Å; I272-Q274 VanDerWaalsContact C-N 3.34Å; I272-Q274 PolarHBondContact O-N 3.13Å; Q274-F277 WeakPolarHBondContact O-CB 3.46Å; Q274-F277 PolarHBondContact O-N 3.2Å; Q274-H278 PolarHBondContact O-CD2 2.9Å; Q274-H278 PolarHBondContact O-N 3.4Å
275I89.4Confident90.3Very high33 Ų3366.7 Ų66.717%0.16932%0.324CS..Hα-helixtrans-59.1-49.8175.9-63.6171.1000109.9N263 R270 N271 I272 F277 H278 V279N263-I275 HydrophobicContact CB-CG2 4.29Å; R270-I275 HydrophobicContact CB-CD1 4.09Å; R270-I275 HydrophobicContact CB-CG1 3.68Å; N271-I275 PolarHBondContact O-N 3.35Å; N271-I275 VanDerWaalsContact O-N 3.08Å; I272-I275 PolarHBondContact O-N 3.48Å; I275-F277 VanDerWaalsContact C-N 3.31Å; I275-F277 PolarHBondContact O-N 3.32Å; I275-H278 PolarHBondContact O-N 3.3Å; I275-V279 HydrophobicContact CG2-CG2 4.45Å; I275-V279 WeakPolarHBondContact O-CG2 3.36Å; I275-V279 PolarHBondContact O-N 3.28Å
276L91.6Very high90.4Very high97 Ų9761.5 Ų61.551%0.50830%0.304SS..Hα-helixtrans-59.6-41.4177.5-72.4174.7000111.9I272 W273 A280I272-L276 WeakPolarHBondContact O-CB 3.22Å; I272-L276 VanDerWaalsContact O-CG 3.28Å; I272-L276 WeakPolarHBondContact O-CG 3.44Å; I272-L276 PolarHBondContact O-N 3.36Å; W273-L276 HydrophobicContact CE3-CD1 4.38Å; L276-A280 WeakPolarHBondContact O-CB 3.42Å; L276-A280 PolarHBondContact O-N 2.86Å
277F93.4Very high90.7Very high89 Ų8965.7 Ų65.739%0.3933%0.326SS..Hα-helixtrans-60.3-50.7176.3176.1-103.6000112.1L194 C198 W273 Q274 I275 V279 A280 V281L194-F277 HydrophobicContact CD2-CZ 4.41Å; C198-F277 WeakPolarHBondContact SG-CE1 3.41Å; W273-F277 WeakPolarHBondContact O-CB 3.4Å; W273-F277 PolarHBondContact O-N 3.2Å; Q274-F277 WeakPolarHBondContact O-CB 3.46Å; Q274-F277 PolarHBondContact O-N 3.2Å; I275-F277 VanDerWaalsContact C-N 3.31Å; I275-F277 PolarHBondContact O-N 3.32Å; F277-V279 PolarHBondContact O-N 2.81Å; F277-A280 PolarHBondContact O-N 3.05Å; F277-V281 HydrophobicContact CD2-CG2 4.29Å; F277-V281 HydrophobicContact CE1-CG2 4.3Å; F277-V281 HydrophobicContact CE2-CG2 3.93Å; F277-V281 HydrophobicContact CZ-CG2 3.94Å; F277-V281 VanDerWaalsContact O-CG2 3.31Å; F277-V281 WeakPolarHBondContact O-CG2 3.5Å; F277-V281 PolarHBondContact O-N 3.2Å
278H93Very high90.9Very high11 Ų1159.9 Ų59.95%0.05130%0.303CS..Hα-helixtrans-63.1-41179.9-80.4-79.9000112.7C198 N202 N263 R270 Q274 I275 G282C198-H278 WeakPolarHBondContact CB-ND1 3.36Å; C198-H278 PolarHBondContact SG-ND1 2.92Å; C198-H278 VanDerWaalsContact SG-ND1 3.37Å; N202-H278 PolarHBondContact OD1-CE1 2.85Å; N202-H278 VanDerWaalsContact OD1-CE1 3.25Å; N263-H278 WeakPolarHBondContact OD1-CB 3.4Å; R270-H278 PolarHBondContact NH1-CD2 3.47Å; R270-H278 PolarHBondContact NH1-NE2 3.45Å; Q274-H278 PolarHBondContact O-CD2 2.9Å; Q274-H278 PolarHBondContact O-N 3.4Å; I275-H278 PolarHBondContact O-N 3.3Å; H278-G282 PolarHBondContact O-N 3.49Å
279V94.8Very high91Very high41 Ų4154 Ų5425%0.24828%0.276CS..Hα-helixtrans-67.7-43.2177.21740000110.8F256 I275 F277 V281 G282 A283F256-V279 HydrophobicContact CE2-CG1 4.18Å; F256-V279 WeakPolarHBondContact CE2-O 3.06Å; F256-V279 HydrophobicContact CZ-CG1 4.13Å; I275-V279 HydrophobicContact CG2-CG2 4.45Å; I275-V279 WeakPolarHBondContact O-CG2 3.36Å; I275-V279 PolarHBondContact O-N 3.28Å; F277-V279 PolarHBondContact O-N 2.81Å; V279-V281 PolarHBondContact O-N 3.03Å; V279-G282 PolarHBondContact O-N 3.07Å; V279-A283 WeakPolarHBondContact O-CB 3.37Å; V279-A283 PolarHBondContact O-N 3Å
280A94.2Very high91.1Very high60 Ų6055.6 Ų55.650%0.49628%0.276SS..Hα-helixtrans-62.9-43.1178.300000112.1L276 F277 A283 F284L276-A280 WeakPolarHBondContact O-CB 3.42Å; L276-A280 PolarHBondContact O-N 2.86Å; F277-A280 PolarHBondContact O-N 3.05Å; A280-A283 PolarHBondContact O-N 3.25Å; A280-F284 VanDerWaalsContact O-CB 3.29Å; A280-F284 WeakPolarHBondContact O-CB 3.37Å; A280-F284 PolarHBondContact O-N 3.01Å
281V94.6Very high91.1Very high11 Ų1159.9 Ų59.97%0.06730%0.299CS..Hα-helixtrans-63.1-45.8175.5171.50000110.9L194 F277 V279 A283 F284 M285L194-V281 HydrophobicContact CB-CG1 3.81Å; L194-V281 HydrophobicContact CB-CG2 4.06Å; F277-V281 HydrophobicContact CD2-CG2 4.29Å; F277-V281 HydrophobicContact CE1-CG2 4.3Å; F277-V281 HydrophobicContact CE2-CG2 3.93Å; F277-V281 HydrophobicContact CZ-CG2 3.94Å; F277-V281 VanDerWaalsContact O-CG2 3.31Å; F277-V281 WeakPolarHBondContact O-CG2 3.5Å; F277-V281 PolarHBondContact O-N 3.2Å; V279-V281 PolarHBondContact O-N 3.03Å; V281-A283 VanDerWaalsContact C-N 3.35Å; V281-A283 PolarHBondContact O-N 2.79Å; V281-F284 PolarHBondContact O-N 2.89Å; V281-M285 VanDerWaalsContact O-CB 3.31Å; V281-M285 WeakPolarHBondContact O-CB 3.45Å; V281-M285 PolarHBondContact O-N 3.38Å
282G93.1Very high90.7Very high2 Ų257.4 Ų57.42%0.02128%0.283CS..Hα-helixtrans-61.2-41.117700000113Q237 F256 H278 V279 T286Q237-G282 PolarHBondContact NE2-O 3.09Å; Q237-G282 VanDerWaalsContact NE2-O 3.11Å; F256-G282 VanDerWaalsContact CD2-C 3.48Å; H278-G282 PolarHBondContact O-N 3.49Å; V279-G282 PolarHBondContact O-N 3.07Å; G282-T286 PolarHBondContact O-N 3.09Å; G282-T286 PolarHBondContact O-OG1 3.41Å
283A94.9Very high89.8Confident40 Ų4057 Ų5733%0.33128%0.279SS..Hα-helixtrans-67.8-44.9177.400000111.6F256 V279 A280 V281 M285 T286 L287F256-A283 HydrophobicContact CD2-CB 4.47Å; F256-A283 HydrophobicContact CE2-CB 3.69Å; F256-A283 VanDerWaalsContact CE2-N 3.32Å; F256-A283 HydrophobicContact CZ-CB 3.79Å; V279-A283 WeakPolarHBondContact O-CB 3.37Å; V279-A283 PolarHBondContact O-N 3Å; A280-A283 PolarHBondContact O-N 3.25Å; V281-A283 VanDerWaalsContact C-N 3.35Å; V281-A283 PolarHBondContact O-N 2.79Å; A283-M285 VanDerWaalsContact C-N 3.32Å; A283-M285 PolarHBondContact O-N 3.5Å; A283-T286 PolarHBondContact O-N 2.91Å; A283-L287 WeakPolarHBondContact O-CB 3.3Å; A283-L287 PolarHBondContact O-N 3.2Å
284F94.5Very high88.6Confident73 Ų7349.7 Ų49.732%0.3226%0.257SS..Hα-helixtrans-62.3-41.5176.9-173.7-121.7000111.1P187 S191 A280 V281 L287 Q288P187-F284 HydrophobicContact CB-CZ 4.07Å; S191-F284 VanDerWaalsContact CB-CD1 3.42Å; A280-F284 VanDerWaalsContact O-CB 3.29Å; A280-F284 WeakPolarHBondContact O-CB 3.37Å; A280-F284 PolarHBondContact O-N 3.01Å; V281-F284 PolarHBondContact O-N 2.89Å; F284-L287 WeakPolarHBondContact O-CB 3.35Å; F284-L287 PolarHBondContact O-N 3.39Å; F284-Q288 HydrophobicContact CE1-CG 4.41Å; F284-Q288 HydrophobicContact CE2-CG 4.48Å; F284-Q288 VanDerWaalsContact CE2-NE2 3.32Å; F284-Q288 HydrophobicContact CZ-CG 4.32Å; F284-Q288 WeakPolarHBondContact O-CG 3.49Å; F284-Q288 PolarHBondContact O-N 3.22Å
285M92.1Very high87.1Confident0 Ų049.8 Ų49.80%026%0.259CS..Hα-helixtrans-62.5-45.2175.3-16767.1-15700112.1S191 C192 Q237 F241 V281 A283 L287 Q288 I289S191-M285 PolarHBondContact OG-SD 3.5Å; C192-M285 HydrophobicContact CB-CE 4.36Å; Q237-M285 HydrophobicContact CB-CG 3.85Å; F241-M285 HydrophobicContact CB-CE 3.12Å; F241-M285 HydrophobicContact CD1-CE 3.86Å; F241-M285 HydrophobicContact CD2-CE 3.75Å; F241-M285 HydrophobicContact CG-CE 3.3Å; V281-M285 VanDerWaalsContact O-CB 3.31Å; V281-M285 WeakPolarHBondContact O-CB 3.45Å; V281-M285 PolarHBondContact O-N 3.38Å; A283-M285 VanDerWaalsContact C-N 3.32Å; A283-M285 PolarHBondContact O-N 3.5Å; M285-L287 VanDerWaalsContact C-N 3.31Å; M285-L287 PolarHBondContact O-N 3.08Å; M285-Q288 PolarHBondContact O-N 3.02Å; M285-I289 HydrophobicContact CE-CD1 4.3Å; M285-I289 HydrophobicContact CE-CG1 4.29Å; M285-I289 HydrophobicContact CG-CD1 4.18Å; M285-I289 VanDerWaalsContact O-CG1 3.27Å; M285-I289 WeakPolarHBondContact O-CG1 3.34Å; M285-I289 PolarHBondContact O-N 3.42Å
286T92.6Very high85.1Confident5 Ų551.1 Ų51.13%0.03128%0.281CS..Hα-helixtrans-61.8-37.8174.6-70.40000112.3Q237 S252 F253 G282 A283 I289 R290Q237-T286 PolarHBondContact NE2-OG1 2.94Å; S252-T286 PolarHBondContact O-OG1 3.36Å; S252-T286 PolarHBondContact OG-OG1 3.4Å; F253-T286 HydrophobicContact CD2-CG2 4.02Å; F253-T286 HydrophobicContact CE1-CG2 4.32Å; F253-T286 HydrophobicContact CE2-CG2 3.47Å; F253-T286 VanDerWaalsContact CE2-CG2 3.47Å; F253-T286 HydrophobicContact CZ-CG2 3.69Å; G282-T286 PolarHBondContact O-N 3.09Å; G282-T286 PolarHBondContact O-OG1 3.41Å; A283-T286 PolarHBondContact O-N 2.91Å; T286-I289 PolarHBondContact O-N 3.37Å; T286-R290 WeakPolarHBondContact O-CG 3.37Å; T286-R290 PolarHBondContact O-N 3.02Å
287L91.8Very high82.8Confident89 Ų8955.7 Ų55.747%0.46630%0.296SS..Hα-helixtrans-63.1-46.3173.3-179.263.5000111.1A283 F284 M285 I289 R290 L291A283-L287 WeakPolarHBondContact O-CB 3.3Å; A283-L287 PolarHBondContact O-N 3.2Å; F284-L287 WeakPolarHBondContact O-CB 3.35Å; F284-L287 PolarHBondContact O-N 3.39Å; M285-L287 VanDerWaalsContact C-N 3.31Å; M285-L287 PolarHBondContact O-N 3.08Å; L287-I289 VanDerWaalsContact C-N 3.32Å; L287-I289 PolarHBondContact O-N 2.94Å; L287-R290 WeakPolarHBondContact O-CB 3.31Å; L287-R290 PolarHBondContact O-N 3.31Å; L287-R290 VanDerWaalsContact O-N 3.16Å; L287-L291 HydrophobicContact CD1-CD1 4.06Å; L287-L291 HydrophobicContact CD1-CG 4.13Å; L287-L291 HydrophobicContact CG-CD1 3.87Å; L287-L291 HydrophobicContact CG-CG 4.33Å; L287-L291 WeakPolarHBondContact O-CB 3.45Å; L287-L291 VanDerWaalsContact O-CG 3.27Å; L287-L291 WeakPolarHBondContact O-CG 3.33Å; L287-L291 PolarHBondContact O-N 3.33Å
288Q90.9Very high80Confident17 Ų1755 Ų558%0.07931%0.307CS..Hα-helixtrans-63.8-36.5177.1-64.5-57.3-28.900112.3F241 F284 M285 L291 R292F241-Q288 HydrophobicContact CE2-CB 4.09Å; F284-Q288 HydrophobicContact CE1-CG 4.41Å; F284-Q288 HydrophobicContact CE2-CG 4.48Å; F284-Q288 VanDerWaalsContact CE2-NE2 3.32Å; F284-Q288 HydrophobicContact CZ-CG 4.32Å; F284-Q288 WeakPolarHBondContact O-CG 3.49Å; F284-Q288 PolarHBondContact O-N 3.22Å; M285-Q288 PolarHBondContact O-N 3.02Å; Q288-L291 PolarHBondContact O-N 3.11Å; Q288-R292 VanDerWaalsContact O-CB 3.24Å; Q288-R292 WeakPolarHBondContact O-CB 3.39Å; Q288-R292 PolarHBondContact O-N 3.2Å
289I86.8Confident77.4Confident0 Ų060 Ų600%034%0.341CS..Hα-helixtrans-65-38.9173.6-67.2162.1000111.5Q237 L240 F241 R248 S252 M285 T286 L287Q237-I289 HydrophobicContact CB-CD1 4.15Å; Q237-I289 WeakPolarHBondContact O-CD1 3.2Å; L240-I289 HydrophobicContact CB-CD1 4.34Å; F241-I289 HydrophobicContact CB-CD1 4.34Å; F241-I289 HydrophobicContact CB-CG1 3.81Å; F241-I289 HydrophobicContact CD2-CG1 3.96Å; F241-I289 HydrophobicContact CG-CG1 4.39Å; R248-I289 HydrophobicContact CG-CG2 3.69Å; R248-I289 PolarHBondContact NE-O 3.43Å; R248-I289 PolarHBondContact NH2-O 3.24Å; S252-I289 WeakPolarHBondContact OG-CD1 3.49Å; M285-I289 HydrophobicContact CE-CD1 4.3Å; M285-I289 HydrophobicContact CE-CG1 4.29Å; M285-I289 HydrophobicContact CG-CD1 4.18Å; M285-I289 VanDerWaalsContact O-CG1 3.27Å; M285-I289 WeakPolarHBondContact O-CG1 3.34Å; M285-I289 PolarHBondContact O-N 3.42Å; T286-I289 PolarHBondContact O-N 3.37Å; L287-I289 VanDerWaalsContact C-N 3.32Å; L287-I289 PolarHBondContact O-N 2.94Å
290R86.1Confident74.7Confident121 Ų12165.3 Ų65.346%0.45737%0.368SS..Hα-helixtrans-65.7-45.7174.6-80.6-104.2-152.4-171.8-6.5111.9F253 T286 L287F253-R290 HydrophobicContact CE2-CG 3.98Å; F253-R290 VanDerWaalsContact CZ-NE 3.29Å; T286-R290 WeakPolarHBondContact O-CG 3.37Å; T286-R290 PolarHBondContact O-N 3.02Å; L287-R290 WeakPolarHBondContact O-CB 3.31Å; L287-R290 PolarHBondContact O-N 3.31Å; L287-R290 VanDerWaalsContact O-N 3.16Å
291L84.1Confident71.8Confident104 Ų10471.8 Ų71.855%0.54538%0.381SS..Hα-helixtrans-71.7-30.3-176.1-68.7175.4000112.6L287 Q288 Q293L287-L291 HydrophobicContact CD1-CD1 4.06Å; L287-L291 HydrophobicContact CD1-CG 4.13Å; L287-L291 HydrophobicContact CG-CD1 3.87Å; L287-L291 HydrophobicContact CG-CG 4.33Å; L287-L291 WeakPolarHBondContact O-CB 3.45Å; L287-L291 VanDerWaalsContact O-CG 3.27Å; L287-L291 WeakPolarHBondContact O-CG 3.33Å; L287-L291 PolarHBondContact O-N 3.33Å; Q288-L291 PolarHBondContact O-N 3.11Å; L291-Q293 PolarHBondContact O-N 2.94Å
292R79.8Confident68.9Low37 Ų3779.5 Ų79.514%0.1442%0.422CS..SBendtrans-73.689.5179.8-170175.9-170.2-154.7-2.2110.7L181 E182 F241 R248 Q288L181-R292 HydrophobicContact CB-CG 4.22Å; L181-R292 VanDerWaalsContact CB-CZ 3.47Å; E182-R292 PolarHBondContact O-NE 3.37Å; E182-R292 PolarHBondContact O-NH2 2.99Å; F241-R292 HydrophobicContact CE2-CB 4.42Å; F241-R292 PolarHBondContact O-NH1 3.29Å; R248-R292 PolarHBondContact NH1-O 2.9Å; R248-R292 PolarHBondContact NH2-O 3.29Å; Q288-R292 VanDerWaalsContact O-CB 3.24Å; Q288-R292 WeakPolarHBondContact O-CB 3.39Å; Q288-R292 PolarHBondContact O-N 3.2Å
293Q69.9Low66.3Low106 Ų10688.9 Ų88.950%0.49548%0.478SS..  trans-66.3149.8-179.3-64.8-63.3-20.300111.2E182 L291 L295E182-Q293 PolarHBondContact N-O 3.02Å; L291-Q293 PolarHBondContact O-N 2.94Å; Q293-L295 PolarHBondContact O-N 3.3Å
294P63.5Low64.8Low40 Ų4091.3 Ų91.326%0.2649%0.485SS..BIsolated β-bridgetrans-58.4136.6158.627.1-30.3000107.3L181 F244 G296L181-P294 HydrophobicContact CD2-CB 4.35Å; F244-P294 HydrophobicContact CD2-CB 4.14Å; F244-P294 HydrophobicContact CE2-CB 3.95Å; F244-P294 HydrophobicContact CE2-CG 4.39Å; P294-G296 PolarHBondContact O-N 3.27Å
295L58.5Low63.3Low70 Ų7092.3 Ų92.337%0.36649%0.494SS..  trans-53.2111.6176.4-165.576.2000107.3M180 E182 Q293M180-L295 WeakPolarHBondContact O-CB 3.42Å; M180-L295 PolarHBondContact O-N 3.02Å; E182-L295 HydrophobicContact CG-CD1 4.09Å; Q293-L295 PolarHBondContact O-N 3.3Å
296G46.2Very low61.7Low61 Ų6197.4 Ų97.463%0.62952%0.522SS*.PPolyproline II helixtrans-58.5146.8-169.200000111.2P294 A298P294-G296 PolarHBondContact O-N 3.27Å; G296-A298 PolarHBondContact O-N 3.26Å
297K43.8Very low59.9Low192 Ų192102.8 Ų102.884%0.83555%0.55SS**PPolyproline II helixtrans-48.4136.9152-103.6179.8172.1-176.40107.1
298A35.5Very low57.9Low75 Ų75103.7 Ų103.762%0.6256%0.556SS**PPolyproline II helixtrans-47.4137.3172.400000109.5G296 D300G296-A298 PolarHBondContact O-N 3.26Å; A298-D300 PolarHBondContact O-N 2.78Å
299P37Very low55.7Low117 Ų117109.5 Ų109.576%0.7659%0.587SS**SBendtrans-66.6109.6175.528.5-29.4000107
300D39.8Very low53.4Low151 Ų151117.3 Ų117.381%0.80763%0.629SS**  trans161.378.2148-79.7-17.4000109.1A298A298-D300 PolarHBondContact O-N 2.78Å
301Y32.6Very low50.9Low197 Ų197117 Ų11777%0.77364%0.643SS**  trans-139.587.1158-93-87.1000107.1V303Y301-V303 HydrophobicContact CD1-CG2 4.33Å
302N32.9Very low48.2Very low172 Ų172118.1 Ų118.192%0.9265%0.651SS**  trans-88.9102.8150.1-76.6-29.2000106.2
303V38.3Very low45.3Very low199 Ų199125.5 Ų125.5100%1.20670%0.697SS**  trans-122.30150.5-1750000106Y301Y301-V303 HydrophobicContact CD1-CG2 4.33Å

Retrieved 303 of 303 residues in 66.5 ms (Link to these results)

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