A0A093HYR7_STRCA Loading...

Vesicle-trafficking protein SEC22a

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

AlphaFold DB , UniProt , Accession A0A093HYR7, Species STRCA (Struthio camelus australis), Gene n/a, Length 308 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
1M72.4Confident91.8Very high209 Ų20936.2 Ų36.2100%1.0319%0.193SC*.  01460-73.9175.5171.800108.5M3M1-M3 PolarHBondContact O-N 3.03Å
2S86.4Confident92Very high48 Ų4835 Ų3534%0.33619%0.188SC..  trans-72.8116.2178.11600000110.2T75 N77 Y78S2-T75 WeakPolarHBondContact CA-OG1 3.16Å; S2-N77 WeakPolarHBondContact CA-OD1 3.35Å; S2-Y78 WeakPolarHBondContact OG-CA 3.18Å; S2-Y78 WeakPolarHBondContact OG-CD2 3.48Å
3M92.1Very high91.8Very high76 Ų7645.2 Ų45.237%0.37422%0.223SC..  trans-152.9153.2-179.964.2-171.2177.700114.1M1 L5 C74 T75 N127M1-M3 PolarHBondContact O-N 3.03Å; M3-L5 HydrophobicContact CE-CD2 3.42Å; M3-L5 VanDerWaalsContact CE-CD2 3.42Å; M3-L5 HydrophobicContact CG-CD2 3.87Å; M3-L5 HydrophobicContact SD-CD2 4.16Å; M3-C74 VanDerWaalsContact O-CA 3.31Å; M3-C74 WeakPolarHBondContact O-CA 3.5Å; M3-C74 WeakPolarHBondContact O-CB 3.45Å; M3-T75 HydrophobicContact CG-CG2 4.03Å; M3-T75 PolarHBondContact N-OG1 2.8Å; M3-T75 PolarHBondContact O-N 3.19Å; M3-N127 WeakPolarHBondContact CA-OD1 3.31Å
4I93.3Very high91.7Very high2 Ų247.3 Ų47.31%0.0124%0.235CC..EExtended strand (participates in β ladder)trans-78126.4163-51.3-178000108.1M72 Y78 F86 K123 Y126 N127I4-M72 HydrophobicContact CB-CE 4.41Å; I4-M72 HydrophobicContact CD1-CE 3.88Å; I4-M72 HydrophobicContact CG1-CE 3.7Å; I4-M72 HydrophobicContact CG2-CE 4.11Å; I4-Y78 HydrophobicContact CD1-CE1 4.14Å; I4-Y78 HydrophobicContact CD1-CE2 4.46Å; I4-Y78 HydrophobicContact CG1-CD1 4.48Å; I4-Y78 HydrophobicContact CG1-CD2 4.28Å; I4-Y78 HydrophobicContact CG1-CE1 3.86Å; I4-Y78 HydrophobicContact CG1-CE2 3.67Å; I4-Y78 VanDerWaalsContact CG1-CZ 3.45Å; I4-F86 HydrophobicContact CD1-CB 4.09Å; I4-F86 HydrophobicContact CD1-CD1 4.04Å; I4-F86 HydrophobicContact CD1-CD2 3.6Å; I4-F86 HydrophobicContact CD1-CE1 4.39Å; I4-F86 HydrophobicContact CD1-CE2 4.01Å; I4-F86 HydrophobicContact CD1-CG 3.63Å; I4-F86 HydrophobicContact CD1-CZ 4.38Å; I4-F86 HydrophobicContact CG2-CE1 4.49Å; I4-F86 HydrophobicContact CG2-CZ 4.46Å; I4-K123 HydrophobicContact CB-CD 4.3Å; I4-K123 HydrophobicContact CB-CG 3.85Å; I4-K123 HydrophobicContact CG2-CD 3.92Å; I4-K123 HydrophobicContact CG2-CG 3.79Å; I4-Y126 HydrophobicContact CD1-CG 4.44Å; I4-N127 WeakPolarHBondContact CB-OD1 3.35Å; I4-N127 PolarHBondContact N-OD1 3.24Å; I4-N127 PolarHBondContact O-ND2 3.16Å
5L92.1Very high91.7Very high15 Ų1544.8 Ų44.88%0.07923%0.226CC..EExtended strand (participates in β ladder)trans-93.9-51.3-176.8-62.8170.4000110.6M3 V30 Y58 L73 T75 K123M3-L5 HydrophobicContact CE-CD2 3.42Å; M3-L5 VanDerWaalsContact CE-CD2 3.42Å; M3-L5 HydrophobicContact CG-CD2 3.87Å; M3-L5 HydrophobicContact SD-CD2 4.16Å; L5-V30 HydrophobicContact CD1-CG2 4.07Å; L5-Y58 HydrophobicContact CD1-CD1 3.35Å; L5-Y58 HydrophobicContact CD1-CE1 3.36Å; L5-L73 HydrophobicContact CB-CB 4.36Å; L5-L73 HydrophobicContact CB-CD2 4.15Å; L5-L73 HydrophobicContact CB-CG 4.11Å; L5-L73 HydrophobicContact CD1-CD2 4.21Å; L5-L73 HydrophobicContact CD1-CG 4.08Å; L5-L73 PolarHBondContact N-O 2.95Å; L5-T75 HydrophobicContact CD1-CG2 4.45Å; L5-K123 PolarHBondContact O-NZ 2.69Å
6S93.2Very high91.9Very high16 Ų1643.4 Ų43.411%0.11222%0.22CC..EExtended strand (participates in β ladder)trans-150.7163.9179.963.20000112S21 M72 L73S6-S21 VanDerWaalsContact CA-OG 3.29Å; S6-S21 WeakPolarHBondContact CA-OG 3.44Å; S6-S21 WeakPolarHBondContact CB-OG 3.41Å; S6-M72 WeakPolarHBondContact O-CA 3.33Å; S6-L73 PolarHBondContact N-O 3.44Å; S6-L73 PolarHBondContact O-N 3.01Å; S6-L73 WeakPolarHBondContact OG-CB 3.18Å
7A95.6Very high92.1Very high2 Ų242.6 Ų42.62%0.01722%0.218CC..EExtended strand (participates in β ladder)trans-143.1155.8172.400000111.4A20 S21 M71 M72 F86 L90 I119A7-A20 CarbonylContact O-C 3.58Å; A7-A20 WeakPolarHBondContact O-CA 3.49Å; A7-S21 PolarHBondContact N-OG 2.73Å; A7-S21 PolarHBondContact O-N 3.04Å; A7-S21 PolarHBondContact O-OG 3.35Å; A7-M71 CarbonylContact C-O 3.55Å; A7-M71 VanDerWaalsContact CA-O 3.23Å; A7-M71 WeakPolarHBondContact CA-O 3.47Å; A7-M72 HydrophobicContact CB-CB 4.46Å; A7-F86 HydrophobicContact CB-CE1 3.71Å; A7-F86 HydrophobicContact CB-CZ 3.79Å; A7-L90 HydrophobicContact CB-CD1 4.09Å; A7-I119 HydrophobicContact CB-CG2 3.79Å
8S95.6Very high92.2Very high14 Ų1440.3 Ų40.310%0.09821%0.206CC..EExtended strand (participates in β ladder)trans-145.8144.7-178.1-172.40000110.6V10 S19 M71S8-V10 WeakPolarHBondContact OG-CG2 3.47Å; S8-S19 WeakPolarHBondContact CA-O 3.5Å; S8-S19 PolarHBondContact OG-O 3.35Å; S8-M71 PolarHBondContact N-O 3.3Å; S8-M71 PolarHBondContact O-N 3.12Å
9V96.9Very high92.5Very high0 Ų038.2 Ų38.20%020%0.195CC..EExtended strand (participates in β ladder)trans-112.1127.6171.3-172.40000107.5L18 S19 V68 S69 Y70 F94 F115 I119V9-L18 HydrophobicContact CB-CB 4.37Å; V9-L18 HydrophobicContact CG1-CB 4.22Å; V9-L18 HydrophobicContact CG1-CD1 4.19Å; V9-L18 WeakPolarHBondContact O-CB 3.35Å; V9-L18 PolarHBondContact O-N 3.41Å; V9-S19 PolarHBondContact N-O 3.44Å; V9-S19 PolarHBondContact O-N 3.38Å; V9-V68 HydrophobicContact CG1-CG1 3.42Å; V9-V68 VanDerWaalsContact CG1-CG1 3.42Å; V9-S69 WeakPolarHBondContact CA-O 3.29Å; V9-Y70 HydrophobicContact CG1-CD1 3.96Å; V9-Y70 HydrophobicContact CG1-CE1 3.76Å; V9-Y70 HydrophobicContact CG2-CD1 3.95Å; V9-Y70 HydrophobicContact CG2-CE1 4.31Å; V9-F94 HydrophobicContact CG1-CD1 4.39Å; V9-F94 HydrophobicContact CG1-CD2 3.99Å; V9-F94 HydrophobicContact CG1-CE1 4.29Å; V9-F94 HydrophobicContact CG1-CE2 3.89Å; V9-F94 HydrophobicContact CG1-CG 4.25Å; V9-F94 HydrophobicContact CG1-CZ 4.05Å; V9-F94 HydrophobicContact CG2-CD2 4.45Å; V9-F115 HydrophobicContact CG2-CD1 3.95Å; V9-F115 HydrophobicContact CG2-CE1 3.83Å; V9-I119 HydrophobicContact CG2-CD1 4.33Å
10V96.6Very high92.6Very high5 Ų537.3 Ų37.33%0.0319%0.194CC..EExtended strand (participates in β ladder)trans-139142-168.6-174.20000109.8S8 G15 L16 L44 V68 S69 M71S8-V10 WeakPolarHBondContact OG-CG2 3.47Å; V10-G15 WeakPolarHBondContact CG1-O 3.42Å; V10-L16 CarbonylContact C-O 3.33Å; V10-L16 WeakPolarHBondContact CA-O 3.45Å; V10-L16 WeakPolarHBondContact CG1-O 3.45Å; V10-L44 HydrophobicContact CB-CD1 4.25Å; V10-L44 HydrophobicContact CG1-CD1 4.06Å; V10-V68 CarbonylContact O-C 3.49Å; V10-V68 WeakPolarHBondContact O-CA 3.33Å; V10-S69 PolarHBondContact N-O 3.27Å; V10-S69 PolarHBondContact O-N 2.91Å; V10-M71 HydrophobicContact CG2-SD 3.98Å
11R95.4Very high92.5Very high11 Ų1136.1 Ų36.14%0.04219%0.189CC..EExtended strand (participates in β ladder)trans-77.3130.8172.3-173164.563.2-160.55.2110.9R13 D14 G15 L16 L18 T103 N104 A106R11-R13 PolarHBondContact O-N 3.18Å; R11-D14 IonicContact CZ-OD1 3.31Å; R11-D14 IonicContact CZ-OD2 3.51Å; R11-D14 VanDerWaalsContact CZ-OD2 3.31Å; R11-D14 IonicContact NE-OD1 3.15Å; R11-D14 PolarHBondContact NE-OD1 3Å; R11-D14 IonicContact NE-OD2 2.61Å; R11-D14 PolarHBondContact NE-OD2 3.27Å; R11-D14 VanDerWaalsContact NE-OD2 3.15Å; R11-D14 IonicContact NH2-OD1 2.68Å; R11-D14 IonicContact NH2-OD2 3.34Å; R11-D14 PolarHBondContact NH2-OD2 3.08Å; R11-G15 WeakPolarHBondContact O-CA 3.45Å; R11-G15 PolarHBondContact O-N 2.68Å; R11-L16 HydrophobicContact CB-CB 4.22Å; R11-L16 PolarHBondContact N-O 3.4Å; R11-L18 HydrophobicContact CB-CD1 4.24Å; R11-L18 HydrophobicContact CB-CD2 4.31Å; R11-L18 HydrophobicContact CB-CG 4.35Å; R11-T103 PolarHBondContact NH1-O 3.46Å; R11-N104 PolarHBondContact NH1-O 2.84Å; R11-A106 PolarHBondContact NH1-O 2.85Å; R11-A106 PolarHBondContact NH2-O 3.08Å
12V94.3Very high92.9Very high22 Ų2230.9 Ų30.913%0.13317%0.169CC..THydrogen-bonded Turntrans-66.9-39.3-172.3171.30000112.6D14 L44 G67V12-D14 PolarHBondContact O-N 3.35Å; V12-L44 HydrophobicContact CB-CB 4.43Å; V12-L44 HydrophobicContact CG1-CB 4.06Å; V12-L44 HydrophobicContact CG2-CB 4.44Å; V12-G67 WeakPolarHBondContact CB-O 3.44Å; V12-G67 WeakPolarHBondContact CG2-O 3.41Å; V12-G67 PolarHBondContact N-O 2.96Å
13R90.2Very high92.3Very high168 Ų16830.4 Ų30.463%0.63416%0.163SC*.THydrogen-bonded Turntrans-60.7-41-172.7-179-178.864.7-159-4.7113.3R11R11-R13 PolarHBondContact O-N 3.18Å
14D89.3Confident90.7Very high74 Ų7436.7 Ų36.740%0.39618%0.184SC..THydrogen-bonded Turntrans-131.6-2.6-168.750.812.8000113.7R11 V12 L16R11-D14 IonicContact CZ-OD1 3.31Å; R11-D14 IonicContact CZ-OD2 3.51Å; R11-D14 VanDerWaalsContact CZ-OD2 3.31Å; R11-D14 IonicContact NE-OD1 3.15Å; R11-D14 PolarHBondContact NE-OD1 3Å; R11-D14 IonicContact NE-OD2 2.61Å; R11-D14 PolarHBondContact NE-OD2 3.27Å; R11-D14 VanDerWaalsContact NE-OD2 3.15Å; R11-D14 IonicContact NH2-OD1 2.68Å; R11-D14 IonicContact NH2-OD2 3.34Å; R11-D14 PolarHBondContact NH2-OD2 3.08Å; V12-D14 PolarHBondContact O-N 3.35Å; D14-L16 PolarHBondContact O-N 2.92Å; D14-L16 WeakPolarHBondContact OD1-CB 3.27Å; D14-L16 PolarHBondContact OD1-N 3.31Å
15G92.8Very high89.5Confident10 Ų1039.3 Ų39.310%0.10320%0.198CC..  trans70.220.5-17700000113.5V10 R11 P17 S41V10-G15 WeakPolarHBondContact CG1-O 3.42Å; R11-G15 WeakPolarHBondContact O-CA 3.45Å; R11-G15 PolarHBondContact O-N 2.68Å; G15-P17 WeakPolarHBondContact O-CD 3.31Å; G15-S41 WeakPolarHBondContact CA-O 3.28Å
16L93.9Very high88.2Confident23 Ų2344.6 Ų44.612%0.1222%0.222CC..  trans-64.9120.7178.7-177.274.3000109.8V10 R11 D14 L18 A106 P109V10-L16 CarbonylContact C-O 3.33Å; V10-L16 WeakPolarHBondContact CA-O 3.45Å; V10-L16 WeakPolarHBondContact CG1-O 3.45Å; R11-L16 HydrophobicContact CB-CB 4.22Å; R11-L16 PolarHBondContact N-O 3.4Å; D14-L16 PolarHBondContact O-N 2.92Å; D14-L16 WeakPolarHBondContact OD1-CB 3.27Å; D14-L16 PolarHBondContact OD1-N 3.31Å; L16-L18 HydrophobicContact CD2-CD2 4.27Å; L16-L18 PolarHBondContact O-N 2.93Å; L16-A106 HydrophobicContact CD2-CB 4.35Å; L16-A106 WeakPolarHBondContact CD2-O 3.31Å; L16-P109 HydrophobicContact CD1-CB 4.46Å; L16-P109 HydrophobicContact CD1-CG 3.99Å
17P94.9Very high87.2Confident30 Ų3045.9 Ų45.920%0.19523%0.231CC..EExtended strand (participates in β ladder)trans-69.6125.9175.629.3-33.9000109.5G15 P109 Y110G15-P17 WeakPolarHBondContact O-CD 3.31Å; P17-P109 HydrophobicContact CG-CB 4Å; P17-Y110 HydrophobicContact CB-CD1 4.25Å; P17-Y110 HydrophobicContact CB-CE1 3.74Å; P17-Y110 HydrophobicContact CB-CE2 4.29Å; P17-Y110 HydrophobicContact CG-CD2 4.41Å; P17-Y110 HydrophobicContact CG-CE1 4.3Å; P17-Y110 HydrophobicContact CG-CE2 3.94Å; P17-Y110 PolarHBondContact O-N 2.89Å
18L95.6Very high86.1Confident0 Ų051.7 Ų51.70%027%0.266CS..EExtended strand (participates in β ladder)trans-95.7-42-178.2-62.7179.4000110.9V9 R11 L16 V68 F94 T103 A106 Y110 F112V9-L18 HydrophobicContact CB-CB 4.37Å; V9-L18 HydrophobicContact CG1-CB 4.22Å; V9-L18 HydrophobicContact CG1-CD1 4.19Å; V9-L18 WeakPolarHBondContact O-CB 3.35Å; V9-L18 PolarHBondContact O-N 3.41Å; R11-L18 HydrophobicContact CB-CD1 4.24Å; R11-L18 HydrophobicContact CB-CD2 4.31Å; R11-L18 HydrophobicContact CB-CG 4.35Å; L16-L18 HydrophobicContact CD2-CD2 4.27Å; L16-L18 PolarHBondContact O-N 2.93Å; L18-V68 HydrophobicContact CD1-CG1 3.97Å; L18-V68 HydrophobicContact CD1-CG2 4.15Å; L18-F94 HydrophobicContact CB-CZ 4.36Å; L18-F94 HydrophobicContact CD1-CE1 4.37Å; L18-F94 HydrophobicContact CD1-CZ 4.04Å; L18-T103 HydrophobicContact CD1-CG2 3.55Å; L18-T103 HydrophobicContact CD2-CG2 4.49Å; L18-A106 HydrophobicContact CD2-CB 4.36Å; L18-Y110 CarbonylContact O-C 3.54Å; L18-Y110 VanDerWaalsContact O-CA 3.29Å; L18-Y110 WeakPolarHBondContact O-CA 3.16Å; L18-F112 HydrophobicContact CB-CD2 3.88Å; L18-F112 HydrophobicContact CD2-CD2 4.04Å; L18-F112 HydrophobicContact CD2-CE2 3.94Å; L18-F112 HydrophobicContact CG-CD2 4.43Å; L18-F112 CarbonylContact O-C 3.56Å; L18-F112 WeakPolarHBondContact O-CA 3.47Å; L18-F112 WeakPolarHBondContact O-CB 3.44Å; L18-F112 PolarHBondContact O-N 3.01Å
19S96.3Very high85Confident0 Ų052.1 Ų52.10%027%0.273CS..EExtended strand (participates in β ladder)trans-157.6156.6173.8-161.50000109.7S8 V9 F112 D116S8-S19 WeakPolarHBondContact CA-O 3.5Å; S8-S19 PolarHBondContact OG-O 3.35Å; V9-S19 PolarHBondContact N-O 3.44Å; V9-S19 PolarHBondContact O-N 3.38Å; S19-F112 WeakPolarHBondContact CB-O 3.31Å; S19-F112 PolarHBondContact OG-O 2.82Å; S19-D116 PolarHBondContact OG-N 2.94Å
20A94.4Very high83.9Confident20 Ų2052.2 Ų52.217%0.16527%0.273CS..EExtended strand (participates in β ladder)trans-156.6157.1173.300000110.9A7 Y110A7-A20 CarbonylContact O-C 3.58Å; A7-A20 WeakPolarHBondContact O-CA 3.49Å; A20-Y110 HydrophobicContact CB-CD1 4.44Å; A20-Y110 HydrophobicContact CB-CE1 3.76Å
21S92.4Very high83.1Confident14 Ų1455.4 Ų55.410%0.09829%0.288CS..  trans-71.4131.6176.264.20000112.7S6 A7 D23 D116S6-S21 VanDerWaalsContact CA-OG 3.29Å; S6-S21 WeakPolarHBondContact CA-OG 3.44Å; S6-S21 WeakPolarHBondContact CB-OG 3.41Å; A7-S21 PolarHBondContact N-OG 2.73Å; A7-S21 PolarHBondContact O-N 3.04Å; A7-S21 PolarHBondContact O-OG 3.35Å; S21-D23 VanDerWaalsContact C-N 3.28Å; S21-D23 WeakPolarHBondContact CB-OD2 3.43Å; S21-D23 PolarHBondContact O-N 2.83Å; S21-D23 PolarHBondContact OG-OD2 3.22Å; S21-D116 VanDerWaalsContact CA-OD1 3.26Å; S21-D116 WeakPolarHBondContact CA-OD1 3.35Å
22T79.4Confident82.3Confident99 Ų9959.2 Ų59.261%0.60731%0.306SS*.  trans-83.366.6176.746.40000112.1D116 Q120T22-D116 WeakPolarHBondContact CB-OD2 3.49Å; T22-D116 WeakPolarHBondContact CG2-OD2 3.49Å; T22-D116 PolarHBondContact N-OD1 2.57Å; T22-D116 PolarHBondContact N-OD2 3.04Å; T22-D116 PolarHBondContact OG1-OD2 2.94Å; T22-Q120 PolarHBondContact OG1-NE2 3.05Å
23D74.9Confident81.6Confident38 Ų3858.2 Ų58.220%0.20330%0.3CS..  trans-93.9125.3179.5-61.7-56.2000112.4S21 D25 R34 K123S21-D23 VanDerWaalsContact C-N 3.28Å; S21-D23 WeakPolarHBondContact CB-OD2 3.43Å; S21-D23 PolarHBondContact O-N 2.83Å; S21-D23 PolarHBondContact OG-OD2 3.22Å; D23-D25 VanDerWaalsContact C-N 3.3Å; D23-D25 PolarHBondContact O-N 3.46Å; D23-R34 PolarHBondContact O-NH2 2.99Å; D23-K123 IonicContact OD1-NZ 3.49Å; D23-K123 PolarHBondContact OD1-NZ 2.67Å; D23-K123 IonicContact OD2-NZ 3.81Å; D23-K123 PolarHBondContact OD2-NZ 3.32Å
24Y58.7Low81.1Confident207 Ų20754.9 Ų54.981%0.81229%0.288SS*.  trans-92.551.2179.4-145.8-101.6000112Q26Y24-Q26 HydrophobicContact CD1-CG 4.46Å; Y24-Q26 HydrophobicContact CE1-CG 4.38Å; Y24-Q26 VanDerWaalsContact CZ-NE2 3.33Å; Y24-Q26 PolarHBondContact OH-NE2 3.33Å
25D67.5Low80.9Confident57 Ų5758.2 Ų58.231%0.30530%0.299SS..  trans-90.7115.2169.3-167-25.6000109.4D23 S27 V30D23-D25 VanDerWaalsContact C-N 3.3Å; D23-D25 PolarHBondContact O-N 3.46Å; D25-S27 VanDerWaalsContact OD1-CB 3.31Å; D25-S27 WeakPolarHBondContact OD1-CB 3.33Å; D25-S27 PolarHBondContact OD1-N 2.94Å; D25-S27 PolarHBondContact OD1-OG 3.08Å; D25-V30 HydrophobicContact CB-CG1 4.46Å
26Q63.5Low80.6Confident127 Ų12759.4 Ų59.459%0.59330%0.3SS*.  trans-99.17.6-178.4-68.9-166.627.300113.7Y24 T28Y24-Q26 HydrophobicContact CD1-CG 4.46Å; Y24-Q26 HydrophobicContact CE1-CG 4.38Å; Y24-Q26 VanDerWaalsContact CZ-NE2 3.33Å; Y24-Q26 PolarHBondContact OH-NE2 3.33Å; Q26-T28 PolarHBondContact O-N 2.94Å
27S73.8Confident80.2Confident43 Ų4359.4 Ų59.430%0.30130%0.3SS..  trans-56.3136.7176.4570000111.1D25 G29 V30 Q31D25-S27 VanDerWaalsContact OD1-CB 3.31Å; D25-S27 WeakPolarHBondContact OD1-CB 3.33Å; D25-S27 PolarHBondContact OD1-N 2.94Å; D25-S27 PolarHBondContact OD1-OG 3.08Å; S27-G29 PolarHBondContact O-N 2.75Å; S27-G29 VanDerWaalsContact O-N 3.16Å; S27-V30 PolarHBondContact O-N 3.44Å; S27-V30 WeakPolarHBondContact OG-CG2 3.46Å; S27-Q31 PolarHBondContact O-N 3.49Å
28T72.2Confident79.8Confident124 Ų12464.8 Ų64.876%0.76132%0.32SS*.Hα-helixtrans-54.5-38.3-175.2-49.80000112Q26 Q31 E32Q26-T28 PolarHBondContact O-N 2.94Å; T28-Q31 PolarHBondContact O-N 3.05Å; T28-E32 PolarHBondContact O-N 2.78Å; T28-E32 VanDerWaalsContact O-N 3.09Å
29G72.3Confident79.5Confident22 Ų2268.4 Ų68.423%0.22734%0.337CS..Hα-helixtrans-65.6-38.1177.800000113.9S27 Q31 E32 C33S27-G29 PolarHBondContact O-N 2.75Å; S27-G29 VanDerWaalsContact O-N 3.16Å; G29-Q31 VanDerWaalsContact C-N 3.33Å; G29-Q31 PolarHBondContact O-N 2.65Å; G29-E32 PolarHBondContact O-N 3.28Å; G29-C33 PolarHBondContact O-N 2.99Å; G29-C33 PolarHBondContact O-SG 3.2Å
30V74.6Confident79.2Confident3 Ų368.4 Ų68.42%0.01834%0.337CS..Hα-helixtrans-68.2-35.2175.3172.80000111L5 D25 S27 E32 C33 R34 Y58 L73L5-V30 HydrophobicContact CD1-CG2 4.07Å; D25-V30 HydrophobicContact CB-CG1 4.46Å; S27-V30 PolarHBondContact O-N 3.44Å; S27-V30 WeakPolarHBondContact OG-CG2 3.46Å; V30-E32 VanDerWaalsContact C-N 3.35Å; V30-C33 PolarHBondContact O-N 3.45Å; V30-R34 WeakPolarHBondContact O-CG 3.49Å; V30-R34 PolarHBondContact O-N 3.47Å; V30-Y58 HydrophobicContact CG2-CE1 4.29Å; V30-L73 HydrophobicContact CG1-CD2 4.07Å; V30-L73 HydrophobicContact CG2-CD2 4.42Å
31Q78.1Confident79Confident71 Ų7168.1 Ų68.133%0.33233%0.334SS..Hα-helixtrans-65.8-37.9174.8-63-61.1-22.100112.4S27 T28 G29 R34 K35S27-Q31 PolarHBondContact O-N 3.49Å; T28-Q31 PolarHBondContact O-N 3.05Å; G29-Q31 VanDerWaalsContact C-N 3.33Å; G29-Q31 PolarHBondContact O-N 2.65Å; Q31-R34 WeakPolarHBondContact O-CB 3.38Å; Q31-R34 PolarHBondContact O-N 2.84Å; Q31-K35 PolarHBondContact O-N 3.15Å
32E79.6Confident78.8Confident91 Ų9173.8 Ų73.843%0.42536%0.357SS..Hα-helixtrans-65.3-44.8173.4-161.7-175.4163.100111.2T28 G29 V30 R34 K35 Y36T28-E32 PolarHBondContact O-N 2.78Å; T28-E32 VanDerWaalsContact O-N 3.09Å; G29-E32 PolarHBondContact O-N 3.28Å; V30-E32 VanDerWaalsContact C-N 3.35Å; E32-R34 PolarHBondContact O-N 2.68Å; E32-K35 WeakPolarHBondContact O-CA 3.41Å; E32-K35 VanDerWaalsContact O-CB 3.26Å; E32-K35 WeakPolarHBondContact O-CB 3.46Å; E32-K35 PolarHBondContact O-N 2.85Å; E32-Y36 HydrophobicContact CG-CE2 3.75Å; E32-Y36 WeakPolarHBondContact O-CD2 3.41Å; E32-Y36 PolarHBondContact O-N 2.74Å; E32-Y36 PolarHBondContact OE1-OH 2.94Å
33C79.6Confident79.3Confident2 Ų270.2 Ų70.21%0.01433%0.333CS..Hα-helixtrans-57.3-38174.4-66.80000112.4G29 V30 K35 Y36 F37 L73G29-C33 PolarHBondContact O-N 2.99Å; G29-C33 PolarHBondContact O-SG 3.2Å; V30-C33 PolarHBondContact O-N 3.45Å; C33-K35 VanDerWaalsContact C-N 3.26Å; C33-K35 PolarHBondContact O-N 2.99Å; C33-Y36 CarbonylContact O-C 3.49Å; C33-Y36 WeakPolarHBondContact O-CA 3.44Å; C33-Y36 WeakPolarHBondContact O-CB 3.4Å; C33-Y36 PolarHBondContact O-N 2.84Å; C33-F37 WeakPolarHBondContact O-CD2 3.47Å; C33-F37 PolarHBondContact O-N 2.77Å; C33-L73 HydrophobicContact CB-CD1 3.65Å; C33-L73 HydrophobicContact CB-CD2 3.74Å; C33-L73 HydrophobicContact CB-CG 4.37Å
34R79.8Confident80.1Confident98 Ų9868.5 Ų68.537%0.3732%0.324SS..Hα-helixtrans-61-32173.7-74174.8179-171.4-1.6113.1D23 V30 Q31 E32 K38D23-R34 PolarHBondContact O-NH2 2.99Å; V30-R34 WeakPolarHBondContact O-CG 3.49Å; V30-R34 PolarHBondContact O-N 3.47Å; Q31-R34 WeakPolarHBondContact O-CB 3.38Å; Q31-R34 PolarHBondContact O-N 2.84Å; E32-R34 PolarHBondContact O-N 2.68Å; R34-K38 PolarHBondContact O-N 2.66Å
35K84.5Confident81.6Confident143 Ų14362.1 Ų62.162%0.62231%0.31SS*.Hα-helixtrans-65.7-44.3172-60.6176.6-177.1172.70110.2Q31 E32 C33 F37 K38 M39Q31-K35 PolarHBondContact O-N 3.15Å; E32-K35 WeakPolarHBondContact O-CA 3.41Å; E32-K35 VanDerWaalsContact O-CB 3.26Å; E32-K35 WeakPolarHBondContact O-CB 3.46Å; E32-K35 PolarHBondContact O-N 2.85Å; C33-K35 VanDerWaalsContact C-N 3.26Å; C33-K35 PolarHBondContact O-N 2.99Å; K35-F37 PolarHBondContact O-N 2.85Å; K35-K38 PolarHBondContact O-N 3.36Å; K35-K38 VanDerWaalsContact O-N 3.16Å; K35-M39 WeakPolarHBondContact O-CG 3.23Å; K35-M39 PolarHBondContact O-N 3.36Å
36Y86.1Confident82.6Confident35 Ų3566.6 Ų66.614%0.13733%0.329CS..Hα-helixtrans-62.5-40.1176.7-59.3-45.3000112.6E32 C33 K38 M39 L40 T55 M155 L158E32-Y36 HydrophobicContact CG-CE2 3.75Å; E32-Y36 WeakPolarHBondContact O-CD2 3.41Å; E32-Y36 PolarHBondContact O-N 2.74Å; E32-Y36 PolarHBondContact OE1-OH 2.94Å; C33-Y36 CarbonylContact O-C 3.49Å; C33-Y36 WeakPolarHBondContact O-CA 3.44Å; C33-Y36 WeakPolarHBondContact O-CB 3.4Å; C33-Y36 PolarHBondContact O-N 2.84Å; Y36-K38 VanDerWaalsContact C-N 3.3Å; Y36-K38 PolarHBondContact O-N 2.85Å; Y36-M39 HydrophobicContact CD1-SD 4.29Å; Y36-M39 PolarHBondContact O-N 3.41Å; Y36-M39 VanDerWaalsContact O-N 3.16Å; Y36-L40 WeakPolarHBondContact O-CB 3.42Å; Y36-L40 WeakPolarHBondContact O-CG 3.47Å; Y36-L40 PolarHBondContact O-N 2.92Å; Y36-T55 HydrophobicContact CD2-CG2 3.66Å; Y36-T55 HydrophobicContact CE2-CG2 3.96Å; Y36-T55 HydrophobicContact CG-CG2 4.4Å; Y36-M155 HydrophobicContact CD1-CE 4.43Å; Y36-M155 HydrophobicContact CE1-CE 3.52Å; Y36-M155 HydrophobicContact CE1-SD 4.32Å; Y36-M155 HydrophobicContact CE2-CE 4.41Å; Y36-M155 VanDerWaalsContact OH-CE 3.31Å; Y36-M155 WeakPolarHBondContact OH-CE 3.24Å; Y36-L158 HydrophobicContact CD1-CD2 3.44Å; Y36-L158 VanDerWaalsContact CD1-CD2 3.44Å; Y36-L158 HydrophobicContact CE1-CD2 4.21Å; Y36-L158 HydrophobicContact CG-CD2 4.13Å
37F86.4Confident83.9Confident24 Ų2462.1 Ų62.111%0.10531%0.309CS..Hα-helixtrans-52.7-47.3171.1-96.7-98000112.5C33 K35 M39 L40 S41 I60 M71 L73C33-F37 WeakPolarHBondContact O-CD2 3.47Å; C33-F37 PolarHBondContact O-N 2.77Å; K35-F37 PolarHBondContact O-N 2.85Å; F37-M39 VanDerWaalsContact C-N 3.35Å; F37-L40 PolarHBondContact O-N 3.48Å; F37-S41 WeakPolarHBondContact O-CB 3.24Å; F37-S41 PolarHBondContact O-N 3.11Å; F37-I60 HydrophobicContact CD2-CD1 3.7Å; F37-I60 HydrophobicContact CD2-CG1 4.22Å; F37-I60 HydrophobicContact CD2-CG2 4.4Å; F37-I60 HydrophobicContact CE2-CB 4.45Å; F37-I60 HydrophobicContact CE2-CD1 3.81Å; F37-I60 HydrophobicContact CE2-CG1 3.79Å; F37-I60 HydrophobicContact CE2-CG2 3.9Å; F37-I60 HydrophobicContact CZ-CG2 4.03Å; F37-M71 HydrophobicContact CD1-CB 4.12Å; F37-M71 HydrophobicContact CD1-CE 3.88Å; F37-M71 HydrophobicContact CD1-SD 4.08Å; F37-M71 HydrophobicContact CE1-CB 3.46Å; F37-M71 VanDerWaalsContact CE1-CB 3.46Å; F37-M71 HydrophobicContact CE1-CE 4.23Å; F37-M71 HydrophobicContact CE1-SD 4.38Å; F37-M71 HydrophobicContact CG-CE 4.47Å; F37-M71 HydrophobicContact CZ-CB 4.27Å; F37-L73 HydrophobicContact CE2-CB 3.73Å; F37-L73 HydrophobicContact CE2-CD1 4.32Å; F37-L73 HydrophobicContact CE2-CG 4.42Å; F37-L73 HydrophobicContact CZ-CB 3.97Å
38K86.3Confident84.7Confident143 Ų14362.5 Ų62.562%0.62231%0.31SS*.Hα-helixtrans-70.7-30.4-178.9-172.7175.7-177.5176.90113R34 K35 Y36 S41R34-K38 PolarHBondContact O-N 2.66Å; K35-K38 PolarHBondContact O-N 3.36Å; K35-K38 VanDerWaalsContact O-N 3.16Å; Y36-K38 VanDerWaalsContact C-N 3.3Å; Y36-K38 PolarHBondContact O-N 2.85Å; K38-S41 PolarHBondContact O-OG 2.85Å
39M88.8Confident85.6Confident75 Ų7559.9 Ų59.937%0.36929%0.291SS..Hα-helixtrans-72.5-45.9173.9-68.9175.875.700110.5K35 Y36 F37 S41 K42 L158K35-M39 WeakPolarHBondContact O-CG 3.23Å; K35-M39 PolarHBondContact O-N 3.36Å; Y36-M39 HydrophobicContact CD1-SD 4.29Å; Y36-M39 PolarHBondContact O-N 3.41Å; Y36-M39 VanDerWaalsContact O-N 3.16Å; F37-M39 VanDerWaalsContact C-N 3.35Å; M39-S41 PolarHBondContact O-N 2.94Å; M39-K42 PolarHBondContact O-N 2.98Å; M39-L158 HydrophobicContact CB-CD1 3.62Å; M39-L158 HydrophobicContact CB-CD2 4.21Å; M39-L158 HydrophobicContact CB-CG 3.84Å; M39-L158 HydrophobicContact CE-CD2 4.39Å; M39-L158 HydrophobicContact CE-CG 3.79Å; M39-L158 WeakPolarHBondContact CE-O 3.45Å; M39-L158 HydrophobicContact SD-CD2 4.23Å; M39-L158 HydrophobicContact SD-CG 4.19Å
40L90.8Very high86.7Confident0 Ų059.5 Ų59.50%028%0.283CS..Hα-helixtrans-59.9-44.8176.6-77.3172.3000111.2Y36 F37 K42 K43 L44 L47 L53 I60 F62 M71 I153 L158Y36-L40 WeakPolarHBondContact O-CB 3.42Å; Y36-L40 WeakPolarHBondContact O-CG 3.47Å; Y36-L40 PolarHBondContact O-N 2.92Å; F37-L40 PolarHBondContact O-N 3.48Å; L40-K42 PolarHBondContact O-N 2.69Å; L40-K43 CarbonylContact O-C 3.6Å; L40-K43 WeakPolarHBondContact O-CA 3.42Å; L40-K43 PolarHBondContact O-N 2.91Å; L40-L44 WeakPolarHBondContact O-CG 3.21Å; L40-L44 PolarHBondContact O-N 2.9Å; L40-L47 HydrophobicContact CD2-CD1 4Å; L40-L53 HydrophobicContact CD1-CB 4.41Å; L40-L53 HydrophobicContact CD1-CD2 3.8Å; L40-L53 HydrophobicContact CD2-CD2 4.49Å; L40-L53 HydrophobicContact CG-CD2 4.3Å; L40-I60 HydrophobicContact CD1-CB 4.37Å; L40-I60 HydrophobicContact CD1-CD1 4.3Å; L40-I60 HydrophobicContact CD1-CG2 3.79Å; L40-F62 HydrophobicContact CD2-CE1 4.26Å; L40-M71 HydrophobicContact CB-CE 3.7Å; L40-M71 HydrophobicContact CD1-CE 3.99Å; L40-I153 HydrophobicContact CD2-CD1 3.63Å; L40-I153 HydrophobicContact CD2-CG2 4.44Å; L40-L158 HydrophobicContact CD2-CD1 3.69Å; L40-L158 HydrophobicContact CG-CD1 3.8Å
41S90Very high87.7Confident14 Ų1459.3 Ų59.310%0.09828%0.282CS..Hα-helixtrans-54.6-32.1-178.270.60000113.4G15 F37 K38 M39G15-S41 WeakPolarHBondContact CA-O 3.28Å; F37-S41 WeakPolarHBondContact O-CB 3.24Å; F37-S41 PolarHBondContact O-N 3.11Å; K38-S41 PolarHBondContact O-OG 2.85Å; M39-S41 PolarHBondContact O-N 2.94Å
42K88.6Confident88.5Confident134 Ų13456.2 Ų56.258%0.58327%0.268SS*.Hα-helixtrans-80.7-18.5177.9-65.7-177.8176.1-169.40114.2M39 L40M39-K42 PolarHBondContact O-N 2.98Å; L40-K42 PolarHBondContact O-N 2.69Å
43K89.4Confident89.2Confident23 Ų2352 Ų5210%0.125%0.248CC..Hα-helixtrans-107.5-0.3-178.5-61.3-163.5-175.7-165.90113.2L40 S45 Q46 L47 E157 L158 S160L40-K43 CarbonylContact O-C 3.6Å; L40-K43 WeakPolarHBondContact O-CA 3.42Å; L40-K43 PolarHBondContact O-N 2.91Å; K43-S45 PolarHBondContact O-N 3.37Å; K43-S45 VanDerWaalsContact O-N 3.11Å; K43-Q46 WeakPolarHBondContact O-CB 3.23Å; K43-Q46 PolarHBondContact O-N 3.32Å; K43-L47 HydrophobicContact CB-CD1 4.24Å; K43-L47 WeakPolarHBondContact O-CG 3.49Å; K43-L47 PolarHBondContact O-N 2.9Å; K43-E157 PolarHBondContact NZ-O 3.46Å; K43-L158 WeakPolarHBondContact CE-O 3.42Å; K43-L158 PolarHBondContact NZ-O 2.89Å; K43-S160 VanDerWaalsContact NZ-C 3.32Å; K43-S160 PolarHBondContact NZ-O 2.99Å
44L91.3Very high89.8Confident2 Ų258 Ų581%0.0127%0.274CS..G310 helixtrans-53-35.8-177.4-72.1171.8000113.3V10 V12 L40 Q46 L47 F62 M71V10-L44 HydrophobicContact CB-CD1 4.25Å; V10-L44 HydrophobicContact CG1-CD1 4.06Å; V12-L44 HydrophobicContact CB-CB 4.43Å; V12-L44 HydrophobicContact CG1-CB 4.06Å; V12-L44 HydrophobicContact CG2-CB 4.44Å; L40-L44 WeakPolarHBondContact O-CG 3.21Å; L40-L44 PolarHBondContact O-N 2.9Å; L44-Q46 PolarHBondContact O-N 3.45Å; L44-L47 PolarHBondContact O-N 3.49Å; L44-F62 HydrophobicContact CD2-CD2 3.95Å; L44-F62 HydrophobicContact CD2-CE1 4.32Å; L44-F62 HydrophobicContact CD2-CE2 3.7Å; L44-F62 HydrophobicContact CD2-CG 4.38Å; L44-F62 HydrophobicContact CD2-CZ 3.88Å; L44-M71 HydrophobicContact CD1-SD 4.39Å; L44-M71 HydrophobicContact CD2-SD 4.5Å
45S89.9Confident90Very high73 Ų7354.5 Ų54.551%0.5126%0.264SS..G310 helixtrans-67.4-16.8178.857.50000114.4K43K43-S45 PolarHBondContact O-N 3.37Å; K43-S45 VanDerWaalsContact O-N 3.11Å
46Q89.1Confident90Very high151 Ų15150.2 Ų50.271%0.70626%0.261SS*.G310 helixtrans-102.1-7-179.9-59.11731.500112.2K43 L44K43-Q46 WeakPolarHBondContact O-CB 3.23Å; K43-Q46 PolarHBondContact O-N 3.32Å; L44-Q46 PolarHBondContact O-N 3.45Å
47L89.9Confident90.1Very high33 Ų3355.4 Ų55.417%0.17329%0.286CS..SBendtrans-104.9153.5-174.1-66.8168.6000110.7L40 K43 L44 F62 I153L40-L47 HydrophobicContact CD2-CD1 4Å; K43-L47 HydrophobicContact CB-CD1 4.24Å; K43-L47 WeakPolarHBondContact O-CG 3.49Å; K43-L47 PolarHBondContact O-N 2.9Å; L44-L47 PolarHBondContact O-N 3.49Å; L47-F62 HydrophobicContact CB-CZ 4.08Å; L47-F62 HydrophobicContact CD1-CE1 4.43Å; L47-F62 HydrophobicContact CD1-CZ 3.83Å; L47-I153 HydrophobicContact CD1-CD1 3.88Å; L47-I153 HydrophobicContact CD2-CD1 4.25Å; L47-I153 HydrophobicContact CD2-CG1 4.3Å
48P91.8Very high90.4Very high51 Ų5156.1 Ų56.133%0.33129%0.288SS..  trans-57.7160.8172.3-25.735.6000113.4R50 C51 Y151P48-R50 PolarHBondContact O-N 3.11Å; P48-C51 PolarHBondContact O-SG 2.96Å; P48-Y151 HydrophobicContact CG-CD1 4.16Å; P48-Y151 HydrophobicContact CG-CD2 4.25Å; P48-Y151 HydrophobicContact CG-CG 3.83Å
49D91.6Very high90.7Very high69 Ų6950 Ų5037%0.36926%0.262SS..SBendtrans-64.8-12.9177.466.3-16.2000114.8I63 S64 R148D49-I63 CarbonylContact O-C 3.59Å; D49-I63 WeakPolarHBondContact O-CA 3.41Å; D49-S64 WeakPolarHBondContact CB-O 3.47Å; D49-S64 PolarHBondContact O-N 2.92Å; D49-R148 IonicContact OD1-CZ 3.48Å; D49-R148 IonicContact OD1-NE 3.52Å; D49-R148 IonicContact OD1-NH2 2.65Å; D49-R148 PolarHBondContact OD1-NH2 2.95Å; D49-R148 IonicContact OD2-CZ 3.6Å; D49-R148 IonicContact OD2-NE 3.79Å; D49-R148 IonicContact OD2-NH2 3.05Å; D49-R148 PolarHBondContact OD2-NH2 3.48Å
50R94.3Very high91Very high14 Ų1446.4 Ų46.45%0.05325%0.245CC..EExtended strand (participates in β ladder)trans-142.4116.7177-179.1-176.3-71.91640.1110.1P48 I63 F84 E144 R148 P150 Y151P48-R50 PolarHBondContact O-N 3.11Å; R50-I63 HydrophobicContact CB-CG2 4.48Å; R50-I63 HydrophobicContact CG-CG2 4.29Å; R50-F84 HydrophobicContact CG-CD1 4.05Å; R50-F84 HydrophobicContact CG-CE1 3.52Å; R50-F84 HydrophobicContact CG-CZ 3.93Å; R50-E144 IonicContact CZ-OE1 3.36Å; R50-E144 IonicContact NH1-OE1 2.92Å; R50-E144 VanDerWaalsContact NH2-CD 3.31Å; R50-E144 IonicContact NH2-OE1 2.92Å; R50-E144 PolarHBondContact NH2-OE1 3.26Å; R50-E144 IonicContact NH2-OE2 3.32Å; R50-R148 PolarHBondContact NH1-O 3.06Å; R50-R148 VanDerWaalsContact NH1-O 3.11Å; R50-P150 HydrophobicContact CG-CB 3.91Å; R50-Y151 PolarHBondContact O-N 3.08Å
51C95.6Very high91.3Very high0 Ų046.7 Ų46.70%025%0.246CC..EExtended strand (participates in β ladder)trans-141158.4-175.9-61.30000113.4P48 N61 F62 Y151 I153P48-C51 PolarHBondContact O-SG 2.96Å; C51-N61 WeakPolarHBondContact O-CA 3.45Å; C51-F62 HydrophobicContact CB-CD1 4.02Å; C51-F62 HydrophobicContact CB-CD2 4.33Å; C51-F62 HydrophobicContact CB-CE1 3.45Å; C51-F62 VanDerWaalsContact CB-CE1 3.45Å; C51-F62 HydrophobicContact CB-CE2 3.76Å; C51-F62 HydrophobicContact CB-CG 4.44Å; C51-F62 HydrophobicContact CB-CZ 3.29Å; C51-F62 PolarHBondContact N-O 3.47Å; C51-F62 PolarHBondContact O-N 2.61Å; C51-F62 WeakPolarHBondContact SG-CZ 3.24Å; C51-Y151 CarbonylContact C-O 3.35Å; C51-Y151 WeakPolarHBondContact CA-O 3.46Å; C51-I153 HydrophobicContact CB-CD1 3.7Å; C51-I153 HydrophobicContact CB-CG1 4.07Å
52T95.4Very high91.6Very high6 Ų646 Ų464%0.03724%0.242CC..EExtended strand (participates in β ladder)trans-132.6130.9170-63.70000109.3K54 I60 N61 P150 Y151 Q152 I153T52-K54 HydrophobicContact CG2-CG 4.16Å; T52-I60 CarbonylContact C-O 3.49Å; T52-I60 WeakPolarHBondContact CA-O 3.47Å; T52-N61 WeakPolarHBondContact CB-OD1 3.31Å; T52-N61 WeakPolarHBondContact CG2-OD1 3.06Å; T52-N61 PolarHBondContact OG1-OD1 3.15Å; T52-P150 WeakPolarHBondContact OG1-CB 3.42Å; T52-Y151 PolarHBondContact N-O 3.33Å; T52-Q152 WeakPolarHBondContact O-CA 3.42Å; T52-I153 PolarHBondContact O-N 3.41Å
53L94Very high92Very high1 Ų140 Ų401%0.00522%0.216CC..EExtended strand (participates in β ladder)trans-111.5120.7166.9173.466.1000108.3L40 T55 N59 I60 I153 M155 L158L40-L53 HydrophobicContact CD1-CB 4.41Å; L40-L53 HydrophobicContact CD1-CD2 3.8Å; L40-L53 HydrophobicContact CD2-CD2 4.49Å; L40-L53 HydrophobicContact CG-CD2 4.3Å; L53-T55 HydrophobicContact CD2-CG2 3.95Å; L53-T55 HydrophobicContact CG-CG2 3.82Å; L53-N59 WeakPolarHBondContact O-CA 3.22Å; L53-I60 HydrophobicContact CB-CB 4.3Å; L53-I60 HydrophobicContact CD2-CD1 4.32Å; L53-I60 PolarHBondContact N-O 3.03Å; L53-I60 PolarHBondContact O-N 2.87Å; L53-I153 HydrophobicContact CB-CB 4.23Å; L53-I153 HydrophobicContact CD1-CB 4.11Å; L53-I153 HydrophobicContact CD1-CG2 4.15Å; L53-I153 VanDerWaalsContact CD1-O 3.26Å; L53-I153 WeakPolarHBondContact CD1-O 3.29Å; L53-M155 HydrophobicContact CD1-SD 4.11Å; L53-L158 HydrophobicContact CD2-CD2 3.96Å
54K91.6Very high92.3Very high129 Ų12940 Ų4056%0.56122%0.218SC*.EExtended strand (participates in β ladder)trans-92.1125175.7-59.3-171.2177.3-179.20109.9T52 N59T52-K54 HydrophobicContact CG2-CG 4.16Å; K54-N59 WeakPolarHBondContact CG-OD1 3.33Å
55T85.1Confident92.3Very high24 Ų2441.8 Ų41.815%0.14723%0.231CC..EExtended strand (participates in β ladder)trans-125.758.6-17760.40000110.2Y36 L53 Q57 Y58Y36-T55 HydrophobicContact CD2-CG2 3.66Å; Y36-T55 HydrophobicContact CE2-CG2 3.96Å; Y36-T55 HydrophobicContact CG-CG2 4.4Å; L53-T55 HydrophobicContact CD2-CG2 3.95Å; L53-T55 HydrophobicContact CG-CG2 3.82Å; T55-Q57 PolarHBondContact O-N 3.32Å; T55-Q57 VanDerWaalsContact O-N 3.11Å; T55-Y58 CarbonylContact C-O 3.53Å; T55-Y58 WeakPolarHBondContact CA-O 3.19Å; T55-Y58 PolarHBondContact N-O 3.02Å; T55-Y58 PolarHBondContact O-N 3.06Å; T55-Y58 PolarHBondContact OG1-O 3.29Å
56G85Confident92.4Very high54 Ų5442.8 Ų42.856%0.55723%0.23SC*.THydrogen-bonded Turntrans63.6-110.1-175.900000111.4Y58G56-Y58 PolarHBondContact O-N 3.03Å; G56-Y58 VanDerWaalsContact O-N 3.15Å
57Q87.8Confident92.5Very high144 Ų14437.2 Ų37.267%0.67321%0.214SC*.THydrogen-bonded Turntrans-72-6-175.2-60.1-178.218.400114.4T55 E76T55-Q57 PolarHBondContact O-N 3.32Å; T55-Q57 VanDerWaalsContact O-N 3.11Å; Q57-E76 PolarHBondContact O-N 3.26Å
58Y91.6Very high92.8Very high38 Ų3836 Ų3615%0.14921%0.207CC..EExtended strand (participates in β ladder)trans-133155.4-177.8-51.5-76.3000111.5L5 V30 T55 G56 C74L5-Y58 HydrophobicContact CD1-CD1 3.35Å; L5-Y58 HydrophobicContact CD1-CE1 3.36Å; V30-Y58 HydrophobicContact CG2-CE1 4.29Å; T55-Y58 CarbonylContact C-O 3.53Å; T55-Y58 WeakPolarHBondContact CA-O 3.19Å; T55-Y58 PolarHBondContact N-O 3.02Å; T55-Y58 PolarHBondContact O-N 3.06Å; T55-Y58 PolarHBondContact OG1-O 3.29Å; G56-Y58 PolarHBondContact O-N 3.03Å; G56-Y58 VanDerWaalsContact O-N 3.15Å; Y58-C74 CarbonylContact C-O 3.53Å; Y58-C74 VanDerWaalsContact CA-O 3.28Å; Y58-C74 WeakPolarHBondContact CA-O 3.15Å; Y58-C74 WeakPolarHBondContact CB-O 3.38Å
59N93.3Very high93.1Very high15 Ų1533.5 Ų33.58%0.0819%0.192CC..EExtended strand (participates in β ladder)trans-123.8138.7172.6-67.6-31.3000109.6L53 K54 C74 E76L53-N59 WeakPolarHBondContact O-CA 3.22Å; K54-N59 WeakPolarHBondContact CG-OD1 3.33Å; N59-C74 PolarHBondContact N-O 3.11Å; N59-C74 PolarHBondContact O-N 3.5Å; N59-E76 WeakPolarHBondContact ND2-CA 3.07Å; N59-E76 PolarHBondContact ND2-O 3.15Å
60I95Very high93.4Very high0 Ų030.3 Ų30.30%017%0.174CC..EExtended strand (participates in β ladder)trans-106.6115.1169.1-58.6174.7000107.6F37 L40 T52 L53 M71 M72 L73F37-I60 HydrophobicContact CD2-CD1 3.7Å; F37-I60 HydrophobicContact CD2-CG1 4.22Å; F37-I60 HydrophobicContact CD2-CG2 4.4Å; F37-I60 HydrophobicContact CE2-CB 4.45Å; F37-I60 HydrophobicContact CE2-CD1 3.81Å; F37-I60 HydrophobicContact CE2-CG1 3.79Å; F37-I60 HydrophobicContact CE2-CG2 3.9Å; F37-I60 HydrophobicContact CZ-CG2 4.03Å; L40-I60 HydrophobicContact CD1-CB 4.37Å; L40-I60 HydrophobicContact CD1-CD1 4.3Å; L40-I60 HydrophobicContact CD1-CG2 3.79Å; T52-I60 CarbonylContact C-O 3.49Å; T52-I60 WeakPolarHBondContact CA-O 3.47Å; L53-I60 HydrophobicContact CB-CB 4.3Å; L53-I60 HydrophobicContact CD2-CD1 4.32Å; L53-I60 PolarHBondContact N-O 3.03Å; L53-I60 PolarHBondContact O-N 2.87Å; I60-M71 HydrophobicContact CG2-CE 4.35Å; I60-M72 VanDerWaalsContact CA-O 3.31Å; I60-M72 WeakPolarHBondContact CA-O 3.42Å; I60-L73 HydrophobicContact CG1-CD1 3.8Å
61N96.4Very high93.5Very high6 Ų629.6 Ų29.63%0.03217%0.172CC..EExtended strand (participates in β ladder)trans-110.3142.5176-58.7-63.4000109.1C51 T52 M71 M72 F84 L87C51-N61 WeakPolarHBondContact O-CA 3.45Å; T52-N61 WeakPolarHBondContact CB-OD1 3.31Å; T52-N61 WeakPolarHBondContact CG2-OD1 3.06Å; T52-N61 PolarHBondContact OG1-OD1 3.15Å; N61-M71 CarbonylContact O-C 3.56Å; N61-M71 WeakPolarHBondContact O-CA 3.22Å; N61-M72 HydrophobicContact CB-CG 3.84Å; N61-M72 HydrophobicContact CB-SD 4.3Å; N61-M72 PolarHBondContact N-O 3.33Å; N61-M72 WeakPolarHBondContact O-CG 3.39Å; N61-M72 PolarHBondContact O-N 3.19Å; N61-F84 HydrophobicContact CB-CE1 4.31Å; N61-F84 HydrophobicContact CB-CZ 4.16Å; N61-L87 HydrophobicContact CB-CD1 4.09Å
62F97.3Very high93.5Very high0 Ų029.6 Ų29.60%017%0.172CC..EExtended strand (participates in β ladder)trans-147155.5171.668.1-96.9000113.2L40 L44 L47 C51 Y70 M71 I153L40-F62 HydrophobicContact CD2-CE1 4.26Å; L44-F62 HydrophobicContact CD2-CD2 3.95Å; L44-F62 HydrophobicContact CD2-CE1 4.32Å; L44-F62 HydrophobicContact CD2-CE2 3.7Å; L44-F62 HydrophobicContact CD2-CG 4.38Å; L44-F62 HydrophobicContact CD2-CZ 3.88Å; L47-F62 HydrophobicContact CB-CZ 4.08Å; L47-F62 HydrophobicContact CD1-CE1 4.43Å; L47-F62 HydrophobicContact CD1-CZ 3.83Å; C51-F62 HydrophobicContact CB-CD1 4.02Å; C51-F62 HydrophobicContact CB-CD2 4.33Å; C51-F62 HydrophobicContact CB-CE1 3.45Å; C51-F62 VanDerWaalsContact CB-CE1 3.45Å; C51-F62 HydrophobicContact CB-CE2 3.76Å; C51-F62 HydrophobicContact CB-CG 4.44Å; C51-F62 HydrophobicContact CB-CZ 3.29Å; C51-F62 PolarHBondContact N-O 3.47Å; C51-F62 PolarHBondContact O-N 2.61Å; C51-F62 WeakPolarHBondContact SG-CZ 3.24Å; F62-Y70 CarbonylContact C-O 3.55Å; F62-Y70 WeakPolarHBondContact CA-O 3.1Å; F62-Y70 WeakPolarHBondContact CB-O 3.22Å; F62-M71 HydrophobicContact CB-CB 4.05Å; F62-M71 HydrophobicContact CB-CG 3.66Å; F62-M71 HydrophobicContact CD1-CE 4.36Å; F62-M71 HydrophobicContact CG-CG 4.39Å; F62-I153 HydrophobicContact CE1-CD1 3.49Å; F62-I153 VanDerWaalsContact CE1-CD1 3.49Å; F62-I153 HydrophobicContact CZ-CD1 3.84Å
63I96.6Very high93.5Very high7 Ų729.3 Ų29.34%0.03617%0.17CC..EExtended strand (participates in β ladder)trans-124.5147.7166.168-177.6000110.1D49 R50 S69 Y70 F84 L87 D88 Q91D49-I63 CarbonylContact O-C 3.59Å; D49-I63 WeakPolarHBondContact O-CA 3.41Å; R50-I63 HydrophobicContact CB-CG2 4.48Å; R50-I63 HydrophobicContact CG-CG2 4.29Å; I63-S69 CarbonylContact O-C 3.58Å; I63-S69 VanDerWaalsContact O-CA 3.31Å; I63-S69 WeakPolarHBondContact O-CA 3.41Å; I63-S69 PolarHBondContact O-OG 3.37Å; I63-Y70 HydrophobicContact CG1-CD2 4.05Å; I63-Y70 PolarHBondContact N-O 3.32Å; I63-Y70 PolarHBondContact O-N 2.92Å; I63-F84 HydrophobicContact CG2-CD1 3.65Å; I63-F84 HydrophobicContact CG2-CE1 3.95Å; I63-L87 HydrophobicContact CD1-CB 3.76Å; I63-L87 HydrophobicContact CG1-CB 3.94Å; I63-L87 HydrophobicContact CG2-CB 4.43Å; I63-L87 HydrophobicContact CG2-CD1 4.17Å; I63-D88 WeakPolarHBondContact CD1-OD1 3.43Å; I63-Q91 HydrophobicContact CD1-CB 4.19Å
64S95.7Very high93.5Very high22 Ų2229.3 Ų29.315%0.15417%0.17CC..EExtended strand (participates in β ladder)trans-125.7130179.1-54.50000110.6D49 V68 S69D49-S64 WeakPolarHBondContact CB-O 3.47Å; D49-S64 PolarHBondContact O-N 2.92Å; S64-V68 CarbonylContact C-O 3.54Å; S64-V68 VanDerWaalsContact CA-O 3.31Å; S64-V68 WeakPolarHBondContact CA-O 3.36Å; S64-S69 WeakPolarHBondContact OG-CB 3.41Å; S64-S69 PolarHBondContact OG-OG 3.11Å
65S92.3Very high93.5Very high41 Ų4124 Ų2429%0.28715%0.148SC..EExtended strand (participates in β ladder)trans-151.2143.7177.5-175.30000110.1G67 V68S65-G67 PolarHBondContact O-N 3.23Å; S65-G67 VanDerWaalsContact O-N 3.12Å; S65-V68 PolarHBondContact N-O 3.27Å; S65-V68 PolarHBondContact O-N 3.43Å
66L91.2Very high93.9Very high93 Ų9328.4 Ų28.449%0.48717%0.167SC..THydrogen-bonded Turntrans5236.8177.1-57.8177.2000113.9V68 I95 M100L66-V68 VanDerWaalsContact C-N 3.25Å; L66-V68 PolarHBondContact O-N 3.06Å; L66-I95 HydrophobicContact CD1-CD1 3.92Å; L66-I95 HydrophobicContact CD1-CG1 4.35Å; L66-M100 HydrophobicContact CB-CE 3.77Å; L66-M100 HydrophobicContact CB-SD 4.25Å; L66-M100 HydrophobicContact CD1-SD 4.5Å; L66-M100 HydrophobicContact CD2-CE 4.13Å; L66-M100 HydrophobicContact CD2-SD 4.42Å; L66-M100 HydrophobicContact CG-CE 4.48Å
67G91.5Very high94.3Very high35 Ų3530.8 Ų30.836%0.36117%0.167SC..THydrogen-bonded Turntrans75.38.8179.900000114.9V12 S65V12-G67 WeakPolarHBondContact CB-O 3.44Å; V12-G67 WeakPolarHBondContact CG2-O 3.41Å; V12-G67 PolarHBondContact N-O 2.96Å; S65-G67 PolarHBondContact O-N 3.23Å; S65-G67 VanDerWaalsContact O-N 3.12Å
68V96.4Very high94.5Very high6 Ų624.5 Ų24.54%0.03614%0.137CC..EExtended strand (participates in β ladder)trans-120.4138.1176.6-177.20000109.6V9 V10 L18 S64 S65 L66 Y70 F94 T103V9-V68 HydrophobicContact CG1-CG1 3.42Å; V9-V68 VanDerWaalsContact CG1-CG1 3.42Å; V10-V68 CarbonylContact O-C 3.49Å; V10-V68 WeakPolarHBondContact O-CA 3.33Å; L18-V68 HydrophobicContact CD1-CG1 3.97Å; L18-V68 HydrophobicContact CD1-CG2 4.15Å; S64-V68 CarbonylContact C-O 3.54Å; S64-V68 VanDerWaalsContact CA-O 3.31Å; S64-V68 WeakPolarHBondContact CA-O 3.36Å; S65-V68 PolarHBondContact N-O 3.27Å; S65-V68 PolarHBondContact O-N 3.43Å; L66-V68 VanDerWaalsContact C-N 3.25Å; L66-V68 PolarHBondContact O-N 3.06Å; V68-Y70 HydrophobicContact CB-CE2 4.23Å; V68-Y70 HydrophobicContact CG1-CE1 3.98Å; V68-Y70 HydrophobicContact CG1-CE2 3.99Å; V68-F94 HydrophobicContact CG1-CD1 4.41Å; V68-F94 HydrophobicContact CG1-CE1 4.26Å; V68-F94 HydrophobicContact CG2-CE1 4.35Å; V68-T103 HydrophobicContact CG2-CG2 3.54Å
69S97.3Very high94.6Very high0 Ų025.6 Ų25.60%015%0.149CC..EExtended strand (participates in β ladder)trans-113.5135.2174.7-163.20000110.7V9 V10 I63 S64V9-S69 WeakPolarHBondContact CA-O 3.29Å; V10-S69 PolarHBondContact N-O 3.27Å; V10-S69 PolarHBondContact O-N 2.91Å; I63-S69 CarbonylContact O-C 3.58Å; I63-S69 VanDerWaalsContact O-CA 3.31Å; I63-S69 WeakPolarHBondContact O-CA 3.41Å; I63-S69 PolarHBondContact O-OG 3.37Å; S64-S69 WeakPolarHBondContact OG-CB 3.41Å; S64-S69 PolarHBondContact OG-OG 3.11Å
70Y97.9Very high94.5Very high1 Ų127.2 Ų27.20%0.00416%0.161CC..EExtended strand (participates in β ladder)trans-110.3114.7178.6-52.2-88.7000106.6V9 F62 I63 V68 L87 L90 Q91 F94V9-Y70 HydrophobicContact CG1-CD1 3.96Å; V9-Y70 HydrophobicContact CG1-CE1 3.76Å; V9-Y70 HydrophobicContact CG2-CD1 3.95Å; V9-Y70 HydrophobicContact CG2-CE1 4.31Å; F62-Y70 CarbonylContact C-O 3.55Å; F62-Y70 WeakPolarHBondContact CA-O 3.1Å; F62-Y70 WeakPolarHBondContact CB-O 3.22Å; I63-Y70 HydrophobicContact CG1-CD2 4.05Å; I63-Y70 PolarHBondContact N-O 3.32Å; I63-Y70 PolarHBondContact O-N 2.92Å; V68-Y70 HydrophobicContact CB-CE2 4.23Å; V68-Y70 HydrophobicContact CG1-CE1 3.98Å; V68-Y70 HydrophobicContact CG1-CE2 3.99Å; Y70-L87 WeakPolarHBondContact O-CD2 3.43Å; Y70-L90 HydrophobicContact CD1-CB 4.1Å; Y70-Q91 HydrophobicContact CD1-CB 4.41Å; Y70-Q91 HydrophobicContact CD2-CB 3.77Å; Y70-Q91 HydrophobicContact CD2-CG 4.11Å; Y70-Q91 HydrophobicContact CE1-CB 4.27Å; Y70-Q91 HydrophobicContact CE2-CB 3.59Å; Y70-Q91 HydrophobicContact CE2-CG 3.52Å; Y70-Q91 HydrophobicContact CG-CB 4.18Å; Y70-F94 HydrophobicContact CE1-CB 3.62Å; Y70-F94 HydrophobicContact CE1-CD1 4.13Å; Y70-F94 AromaticContact CE1-CG 3.9Å; Y70-F94 HydrophobicContact CE1-CG 3.9Å; Y70-F94 WeakPolarHBondContact OH-CD1 3.49Å
71M97Very high94.4Very high0 Ų028.7 Ų28.70%017%0.171CC..EExtended strand (participates in β ladder)trans-119.6142-171-53.9179.873.700109.6A7 S8 V10 F37 L40 L44 I60 N61 F62A7-M71 CarbonylContact C-O 3.55Å; A7-M71 VanDerWaalsContact CA-O 3.23Å; A7-M71 WeakPolarHBondContact CA-O 3.47Å; S8-M71 PolarHBondContact N-O 3.3Å; S8-M71 PolarHBondContact O-N 3.12Å; V10-M71 HydrophobicContact CG2-SD 3.98Å; F37-M71 HydrophobicContact CD1-CB 4.12Å; F37-M71 HydrophobicContact CD1-CE 3.88Å; F37-M71 HydrophobicContact CD1-SD 4.08Å; F37-M71 HydrophobicContact CE1-CB 3.46Å; F37-M71 VanDerWaalsContact CE1-CB 3.46Å; F37-M71 HydrophobicContact CE1-CE 4.23Å; F37-M71 HydrophobicContact CE1-SD 4.38Å; F37-M71 HydrophobicContact CG-CE 4.47Å; F37-M71 HydrophobicContact CZ-CB 4.27Å; L40-M71 HydrophobicContact CB-CE 3.7Å; L40-M71 HydrophobicContact CD1-CE 3.99Å; L44-M71 HydrophobicContact CD1-SD 4.39Å; L44-M71 HydrophobicContact CD2-SD 4.5Å; I60-M71 HydrophobicContact CG2-CE 4.35Å; N61-M71 CarbonylContact O-C 3.56Å; N61-M71 WeakPolarHBondContact O-CA 3.22Å; F62-M71 HydrophobicContact CB-CB 4.05Å; F62-M71 HydrophobicContact CB-CG 3.66Å; F62-M71 HydrophobicContact CD1-CE 4.36Å; F62-M71 HydrophobicContact CG-CG 4.39Å
72M95.5Very high94.2Very high0 Ų029.8 Ų29.80%018%0.176CC..EExtended strand (participates in β ladder)trans-135.2147.6176.466.5174.6-73.900111.8I4 S6 A7 I60 N61 C74 Y78 A83 F86 L87I4-M72 HydrophobicContact CB-CE 4.41Å; I4-M72 HydrophobicContact CD1-CE 3.88Å; I4-M72 HydrophobicContact CG1-CE 3.7Å; I4-M72 HydrophobicContact CG2-CE 4.11Å; S6-M72 WeakPolarHBondContact O-CA 3.33Å; A7-M72 HydrophobicContact CB-CB 4.46Å; I60-M72 VanDerWaalsContact CA-O 3.31Å; I60-M72 WeakPolarHBondContact CA-O 3.42Å; N61-M72 HydrophobicContact CB-CG 3.84Å; N61-M72 HydrophobicContact CB-SD 4.3Å; N61-M72 PolarHBondContact N-O 3.33Å; N61-M72 WeakPolarHBondContact O-CG 3.39Å; N61-M72 PolarHBondContact O-N 3.19Å; M72-C74 HydrophobicContact CE-CB 3.75Å; M72-Y78 HydrophobicContact CE-CD1 4.2Å; M72-Y78 HydrophobicContact CE-CE1 4.19Å; M72-A83 HydrophobicContact CE-CB 3.81Å; M72-A83 VanDerWaalsContact SD-CA 3.5Å; M72-A83 HydrophobicContact SD-CB 3.52Å; M72-A83 VanDerWaalsContact SD-CB 3.52Å; M72-F86 HydrophobicContact CB-CD1 4.14Å; M72-F86 HydrophobicContact CB-CE1 3.95Å; M72-F86 HydrophobicContact CE-CD1 4.39Å; M72-F86 HydrophobicContact SD-CD1 3.75Å; M72-F86 HydrophobicContact SD-CE1 4.48Å; M72-L87 HydrophobicContact CB-CD2 3.85Å; M72-L87 HydrophobicContact CG-CD1 4.1Å; M72-L87 HydrophobicContact CG-CD2 3.81Å; M72-L87 HydrophobicContact CG-CG 4.02Å; M72-L87 HydrophobicContact SD-CD1 4.18Å; M72-L87 HydrophobicContact SD-CD2 4.17Å; M72-L87 HydrophobicContact SD-CG 3.86Å
73L94.6Very high94.1Very high0 Ų029.8 Ų29.80%018%0.176CC..EExtended strand (participates in β ladder)trans-108128.3170.3-17659.1000108.4L5 S6 V30 C33 F37 I60L5-L73 HydrophobicContact CB-CB 4.36Å; L5-L73 HydrophobicContact CB-CD2 4.15Å; L5-L73 HydrophobicContact CB-CG 4.11Å; L5-L73 HydrophobicContact CD1-CD2 4.21Å; L5-L73 HydrophobicContact CD1-CG 4.08Å; L5-L73 PolarHBondContact N-O 2.95Å; S6-L73 PolarHBondContact N-O 3.44Å; S6-L73 PolarHBondContact O-N 3.01Å; S6-L73 WeakPolarHBondContact OG-CB 3.18Å; V30-L73 HydrophobicContact CG1-CD2 4.07Å; V30-L73 HydrophobicContact CG2-CD2 4.42Å; C33-L73 HydrophobicContact CB-CD1 3.65Å; C33-L73 HydrophobicContact CB-CD2 3.74Å; C33-L73 HydrophobicContact CB-CG 4.37Å; F37-L73 HydrophobicContact CE2-CB 3.73Å; F37-L73 HydrophobicContact CE2-CD1 4.32Å; F37-L73 HydrophobicContact CE2-CG 4.42Å; F37-L73 HydrophobicContact CZ-CB 3.97Å; I60-L73 HydrophobicContact CG1-CD1 3.8Å
74C93.5Very high94Very high0 Ų029.5 Ų29.50%018%0.175CC..EExtended strand (participates in β ladder)trans-139.5166.2174.661.40000111.3M3 Y58 N59 M72 Y78M3-C74 VanDerWaalsContact O-CA 3.31Å; M3-C74 WeakPolarHBondContact O-CA 3.5Å; M3-C74 WeakPolarHBondContact O-CB 3.45Å; Y58-C74 CarbonylContact C-O 3.53Å; Y58-C74 VanDerWaalsContact CA-O 3.28Å; Y58-C74 WeakPolarHBondContact CA-O 3.15Å; Y58-C74 WeakPolarHBondContact CB-O 3.38Å; N59-C74 PolarHBondContact N-O 3.11Å; N59-C74 PolarHBondContact O-N 3.5Å; M72-C74 HydrophobicContact CE-CB 3.75Å; C74-Y78 HydrophobicContact CB-CD1 4.2Å; C74-Y78 HydrophobicContact CB-CD2 4.46Å; C74-Y78 HydrophobicContact CB-CG 3.86Å
75T93.1Very high93.9Very high18 Ų1829 Ų2911%0.1117%0.171CC..EExtended strand (participates in β ladder)trans-63.7153.9169.656.20000110.7S2 M3 L5 N77 Y78S2-T75 WeakPolarHBondContact CA-OG1 3.16Å; M3-T75 HydrophobicContact CG-CG2 4.03Å; M3-T75 PolarHBondContact N-OG1 2.8Å; M3-T75 PolarHBondContact O-N 3.19Å; L5-T75 HydrophobicContact CD1-CG2 4.45Å; T75-N77 WeakPolarHBondContact CB-OD1 3.26Å; T75-N77 PolarHBondContact O-N 3.19Å; T75-N77 VanDerWaalsContact O-N 3.17Å; T75-N77 PolarHBondContact OG1-OD1 3.42Å; T75-Y78 VanDerWaalsContact O-CB 3.32Å; T75-Y78 WeakPolarHBondContact O-CB 3.49Å; T75-Y78 PolarHBondContact O-N 2.89Å
76E93Very high94.1Very high117 Ų11727 Ų2755%0.54716%0.157SC..THydrogen-bonded Turntrans-53.7-38.5-177.1-176.5-175.8-178.800113.2Q57 N59 Y78Q57-E76 PolarHBondContact O-N 3.26Å; N59-E76 WeakPolarHBondContact ND2-CA 3.07Å; N59-E76 PolarHBondContact ND2-O 3.15Å; E76-Y78 VanDerWaalsContact C-N 3.28Å; E76-Y78 PolarHBondContact O-N 2.92Å
77N92.6Very high94.3Very high104 Ų10422.6 Ų22.656%0.55613%0.134SC*.THydrogen-bonded Turntrans-83.16.2-178.165.1-9.4000114.6S2 T75S2-N77 WeakPolarHBondContact CA-OD1 3.35Å; T75-N77 WeakPolarHBondContact CB-OD1 3.26Å; T75-N77 PolarHBondContact O-N 3.19Å; T75-N77 VanDerWaalsContact O-N 3.17Å; T75-N77 PolarHBondContact OG1-OD1 3.42Å
78Y93.4Very high94.5Very high12 Ų1222.1 Ų22.15%0.04712%0.123CC..SBendtrans-69.8128.3178.2-164.1-93.2000110.9S2 I4 M72 C74 T75 E76 S80 L82 A83 Y126S2-Y78 WeakPolarHBondContact OG-CA 3.18Å; S2-Y78 WeakPolarHBondContact OG-CD2 3.48Å; I4-Y78 HydrophobicContact CD1-CE1 4.14Å; I4-Y78 HydrophobicContact CD1-CE2 4.46Å; I4-Y78 HydrophobicContact CG1-CD1 4.48Å; I4-Y78 HydrophobicContact CG1-CD2 4.28Å; I4-Y78 HydrophobicContact CG1-CE1 3.86Å; I4-Y78 HydrophobicContact CG1-CE2 3.67Å; I4-Y78 VanDerWaalsContact CG1-CZ 3.45Å; M72-Y78 HydrophobicContact CE-CD1 4.2Å; M72-Y78 HydrophobicContact CE-CE1 4.19Å; C74-Y78 HydrophobicContact CB-CD1 4.2Å; C74-Y78 HydrophobicContact CB-CD2 4.46Å; C74-Y78 HydrophobicContact CB-CG 3.86Å; T75-Y78 VanDerWaalsContact O-CB 3.32Å; T75-Y78 WeakPolarHBondContact O-CB 3.49Å; T75-Y78 PolarHBondContact O-N 2.89Å; E76-Y78 VanDerWaalsContact C-N 3.28Å; E76-Y78 PolarHBondContact O-N 2.92Å; Y78-S80 PolarHBondContact O-N 3.33Å; Y78-L82 HydrophobicContact CE1-CB 3.67Å; Y78-A83 HydrophobicContact CD1-CB 4.07Å; Y78-A83 HydrophobicContact CE1-CB 4.26Å; Y78-Y126 PolarHBondContact OH-O 3.28Å
79P92.5Very high94.4Very high61 Ų6124.4 Ų24.440%0.39613%0.133SC..  trans-60.2125.6-175.8-25.835.2000112.6V81 L82 A83P79-V81 VanDerWaalsContact C-N 3.28Å; P79-V81 PolarHBondContact O-N 2.82Å; P79-L82 HydrophobicContact CB-CB 4.28Å; P79-L82 HydrophobicContact CB-CD1 4.07Å; P79-L82 HydrophobicContact CB-CG 4.09Å; P79-L82 HydrophobicContact CG-CD1 3.94Å; P79-L82 PolarHBondContact O-N 2.97Å; P79-A83 PolarHBondContact O-N 2.85Å
80S91.9Very high94.4Very high48 Ų4824.4 Ų24.434%0.33613%0.133SC..Hα-helixtrans-58.4-38.3-177.41800000112.9Y78 L82 A83 F84Y78-S80 PolarHBondContact O-N 3.33Å; S80-L82 VanDerWaalsContact C-N 3.33Å; S80-L82 PolarHBondContact O-N 2.8Å; S80-A83 WeakPolarHBondContact O-CB 3.4Å; S80-A83 PolarHBondContact O-N 3.22Å; S80-A83 VanDerWaalsContact O-N 3.17Å; S80-F84 VanDerWaalsContact O-CD2 3.22Å; S80-F84 WeakPolarHBondContact O-CD2 3.5Å; S80-F84 PolarHBondContact O-N 3.09Å; S80-F84 WeakPolarHBondContact OG-CE2 3.4Å
81V91.8Very high94.3Very high32 Ų3226 Ų2619%0.19414%0.141CC..Hα-helixtrans-59-44.6175.6-176.60000111.2P79 A83 F84 C85 L138 M141 Q142 I145P79-V81 VanDerWaalsContact C-N 3.28Å; P79-V81 PolarHBondContact O-N 2.82Å; V81-A83 VanDerWaalsContact C-N 3.34Å; V81-F84 PolarHBondContact O-N 3.49Å; V81-C85 WeakPolarHBondContact O-CB 3.27Å; V81-C85 PolarHBondContact O-N 3.29Å; V81-C85 PolarHBondContact O-SG 2.84Å; V81-L138 HydrophobicContact CG1-CD2 4.19Å; V81-M141 HydrophobicContact CG1-CB 4.02Å; V81-M141 HydrophobicContact CG1-CG 3.96Å; V81-Q142 HydrophobicContact CG1-CB 4.41Å; V81-Q142 HydrophobicContact CG2-CB 4.26Å; V81-Q142 HydrophobicContact CG2-CG 4.39Å; V81-I145 HydrophobicContact CB-CD1 4.28Å; V81-I145 HydrophobicContact CG2-CD1 4.05Å
82L93.1Very high94.3Very high29 Ų2932 Ų3215%0.15217%0.167CC..Hα-helixtrans-68.3-36177.5-65.6-179.8000111.9Y78 P79 S80 F86 Y126 M136 L138Y78-L82 HydrophobicContact CE1-CB 3.67Å; P79-L82 HydrophobicContact CB-CB 4.28Å; P79-L82 HydrophobicContact CB-CD1 4.07Å; P79-L82 HydrophobicContact CB-CG 4.09Å; P79-L82 HydrophobicContact CG-CD1 3.94Å; P79-L82 PolarHBondContact O-N 2.97Å; S80-L82 VanDerWaalsContact C-N 3.33Å; S80-L82 PolarHBondContact O-N 2.8Å; L82-F86 WeakPolarHBondContact O-CB 3.5Å; L82-F86 PolarHBondContact O-N 3.43Å; L82-Y126 WeakPolarHBondContact O-CE1 3.4Å; L82-M136 HydrophobicContact CD2-CE 4.48Å; L82-L138 HydrophobicContact CD2-CD2 3.65Å
83A94.9Very high94.3Very high0 Ų035.5 Ų35.50%018%0.184CC..Hα-helixtrans-60.3-50.1176.500000111.2M72 Y78 P79 S80 V81 F86 L87M72-A83 HydrophobicContact CE-CB 3.81Å; M72-A83 VanDerWaalsContact SD-CA 3.5Å; M72-A83 HydrophobicContact SD-CB 3.52Å; M72-A83 VanDerWaalsContact SD-CB 3.52Å; Y78-A83 HydrophobicContact CD1-CB 4.07Å; Y78-A83 HydrophobicContact CE1-CB 4.26Å; P79-A83 PolarHBondContact O-N 2.85Å; S80-A83 WeakPolarHBondContact O-CB 3.4Å; S80-A83 PolarHBondContact O-N 3.22Å; S80-A83 VanDerWaalsContact O-N 3.17Å; V81-A83 VanDerWaalsContact C-N 3.34Å; A83-F86 WeakPolarHBondContact O-CB 3.45Å; A83-F86 PolarHBondContact O-N 2.82Å; A83-L87 WeakPolarHBondContact O-CG 3.22Å; A83-L87 PolarHBondContact O-N 3.5Å; A83-L87 VanDerWaalsContact O-N 3.09Å
84F95Very high94.4Very high0 Ų035.7 Ų35.70%018%0.184CC..Hα-helixtrans-72.8-34-179.6-70.6-67.5000112.9R50 N61 I63 S80 V81 F86 L87 D88 M141 I145 P150R50-F84 HydrophobicContact CG-CD1 4.05Å; R50-F84 HydrophobicContact CG-CE1 3.52Å; R50-F84 HydrophobicContact CG-CZ 3.93Å; N61-F84 HydrophobicContact CB-CE1 4.31Å; N61-F84 HydrophobicContact CB-CZ 4.16Å; I63-F84 HydrophobicContact CG2-CD1 3.65Å; I63-F84 HydrophobicContact CG2-CE1 3.95Å; S80-F84 VanDerWaalsContact O-CD2 3.22Å; S80-F84 WeakPolarHBondContact O-CD2 3.5Å; S80-F84 PolarHBondContact O-N 3.09Å; S80-F84 WeakPolarHBondContact OG-CE2 3.4Å; V81-F84 PolarHBondContact O-N 3.49Å; F84-F86 VanDerWaalsContact C-N 3.32Å; F84-F86 PolarHBondContact O-N 3.29Å; F84-L87 HydrophobicContact CD1-CD1 3.99Å; F84-L87 HydrophobicContact CE1-CD1 4.15Å; F84-L87 PolarHBondContact O-N 3.01Å; F84-D88 WeakPolarHBondContact O-CB 3.47Å; F84-D88 PolarHBondContact O-N 2.78Å; F84-M141 HydrophobicContact CB-SD 3.96Å; F84-I145 HydrophobicContact CB-CD1 4.12Å; F84-I145 HydrophobicContact CD2-CD1 3.78Å; F84-I145 HydrophobicContact CD2-CG1 4.24Å; F84-I145 HydrophobicContact CG-CD1 4.33Å; F84-P150 HydrophobicContact CE1-CB 4.46Å; F84-P150 HydrophobicContact CE2-CB 3.89Å; F84-P150 HydrophobicContact CE2-CG 3.8Å; F84-P150 HydrophobicContact CZ-CB 3.51Å; F84-P150 HydrophobicContact CZ-CG 3.95Å
85C93.7Very high94.4Very high11 Ų1139.2 Ų39.27%0.07420%0.202CC..Hα-helixtrans-58.3-43.4168.6-77.60000112.7V81 L87 D88 E89 Y126 M136 M141V81-C85 WeakPolarHBondContact O-CB 3.27Å; V81-C85 PolarHBondContact O-N 3.29Å; V81-C85 PolarHBondContact O-SG 2.84Å; C85-L87 VanDerWaalsContact C-N 3.34Å; C85-L87 PolarHBondContact O-N 3.3Å; C85-D88 WeakPolarHBondContact O-CB 3.4Å; C85-D88 PolarHBondContact O-N 2.78Å; C85-E89 PolarHBondContact O-N 2.84Å; C85-Y126 HydrophobicContact CB-CE1 3.91Å; C85-Y126 PolarHBondContact O-OH 2.98Å; C85-M136 HydrophobicContact CB-CE 3.21Å; C85-M136 VanDerWaalsContact SG-CE 3.58Å; C85-M141 VanDerWaalsContact SG-CB 3.59Å; C85-M141 VanDerWaalsContact SG-CG 3.51Å
86F95.3Very high94.5Very high0 Ų043.9 Ų43.90%023%0.231CC..Hα-helixtrans-59.5-47.3177.5169.5-96.4000110.9I4 A7 M72 L82 A83 F84 E89 L90 T122 K123 Y126I4-F86 HydrophobicContact CD1-CB 4.09Å; I4-F86 HydrophobicContact CD1-CD1 4.04Å; I4-F86 HydrophobicContact CD1-CD2 3.6Å; I4-F86 HydrophobicContact CD1-CE1 4.39Å; I4-F86 HydrophobicContact CD1-CE2 4.01Å; I4-F86 HydrophobicContact CD1-CG 3.63Å; I4-F86 HydrophobicContact CD1-CZ 4.38Å; I4-F86 HydrophobicContact CG2-CE1 4.49Å; I4-F86 HydrophobicContact CG2-CZ 4.46Å; A7-F86 HydrophobicContact CB-CE1 3.71Å; A7-F86 HydrophobicContact CB-CZ 3.79Å; M72-F86 HydrophobicContact CB-CD1 4.14Å; M72-F86 HydrophobicContact CB-CE1 3.95Å; M72-F86 HydrophobicContact CE-CD1 4.39Å; M72-F86 HydrophobicContact SD-CD1 3.75Å; M72-F86 HydrophobicContact SD-CE1 4.48Å; L82-F86 WeakPolarHBondContact O-CB 3.5Å; L82-F86 PolarHBondContact O-N 3.43Å; A83-F86 WeakPolarHBondContact O-CB 3.45Å; A83-F86 PolarHBondContact O-N 2.82Å; F84-F86 VanDerWaalsContact C-N 3.32Å; F84-F86 PolarHBondContact O-N 3.29Å; F86-E89 PolarHBondContact O-N 2.93Å; F86-L90 HydrophobicContact CD1-CD1 4.23Å; F86-L90 HydrophobicContact CE1-CD1 3.48Å; F86-L90 VanDerWaalsContact CE1-CD1 3.48Å; F86-L90 HydrophobicContact CE1-CG 4.08Å; F86-L90 HydrophobicContact CE2-CD2 4.43Å; F86-L90 HydrophobicContact CE2-CG 4.46Å; F86-L90 HydrophobicContact CZ-CD1 3.65Å; F86-L90 HydrophobicContact CZ-CD2 4.24Å; F86-L90 HydrophobicContact CZ-CG 4.06Å; F86-L90 WeakPolarHBondContact O-CG 3.36Å; F86-L90 PolarHBondContact O-N 3.28Å; F86-T122 HydrophobicContact CD2-CG2 3.66Å; F86-T122 HydrophobicContact CE2-CG2 3.66Å; F86-K123 HydrophobicContact CE2-CB 4.13Å; F86-K123 HydrophobicContact CZ-CB 4.47Å; F86-Y126 HydrophobicContact CB-CD1 3.67Å; F86-Y126 HydrophobicContact CB-CE1 3.65Å; F86-Y126 HydrophobicContact CB-CG 4.12Å; F86-Y126 HydrophobicContact CD2-CD1 4.32Å; F86-Y126 AromaticContact CD2-CD2 3.92Å; F86-Y126 HydrophobicContact CD2-CD2 3.92Å; F86-Y126 HydrophobicContact CD2-CE2 4.32Å; F86-Y126 AromaticContact CD2-CG 3.88Å; F86-Y126 HydrophobicContact CD2-CG 3.88Å; F86-Y126 HydrophobicContact CG-CD1 4.48Å; F86-Y126 HydrophobicContact CG-CG 4.48Å
87L96.9Very high94.6Very high0 Ų041.7 Ų41.70%023%0.226CC..Hα-helixtrans-64-40.4178.7-68176.7000112.7N61 I63 Y70 M72 A83 F84 C85 E89 L90 Q91N61-L87 HydrophobicContact CB-CD1 4.09Å; I63-L87 HydrophobicContact CD1-CB 3.76Å; I63-L87 HydrophobicContact CG1-CB 3.94Å; I63-L87 HydrophobicContact CG2-CB 4.43Å; I63-L87 HydrophobicContact CG2-CD1 4.17Å; Y70-L87 WeakPolarHBondContact O-CD2 3.43Å; M72-L87 HydrophobicContact CB-CD2 3.85Å; M72-L87 HydrophobicContact CG-CD1 4.1Å; M72-L87 HydrophobicContact CG-CD2 3.81Å; M72-L87 HydrophobicContact CG-CG 4.02Å; M72-L87 HydrophobicContact SD-CD1 4.18Å; M72-L87 HydrophobicContact SD-CD2 4.17Å; M72-L87 HydrophobicContact SD-CG 3.86Å; A83-L87 WeakPolarHBondContact O-CG 3.22Å; A83-L87 PolarHBondContact O-N 3.5Å; A83-L87 VanDerWaalsContact O-N 3.09Å; F84-L87 HydrophobicContact CD1-CD1 3.99Å; F84-L87 HydrophobicContact CE1-CD1 4.15Å; F84-L87 PolarHBondContact O-N 3.01Å; C85-L87 VanDerWaalsContact C-N 3.34Å; C85-L87 PolarHBondContact O-N 3.3Å; L87-E89 VanDerWaalsContact C-N 3.3Å; L87-E89 PolarHBondContact O-N 3.42Å; L87-L90 PolarHBondContact O-N 3.31Å; L87-Q91 WeakPolarHBondContact O-CB 3.2Å; L87-Q91 PolarHBondContact O-N 3.47Å
88D94.9Very high94.6Very high26 Ų2638.7 Ų38.714%0.13921%0.207CC..Hα-helixtrans-59.6-41174.8-103.434.8000112.1I63 F84 C85 Q91 K92 M141I63-D88 WeakPolarHBondContact CD1-OD1 3.43Å; F84-D88 WeakPolarHBondContact O-CB 3.47Å; F84-D88 PolarHBondContact O-N 2.78Å; C85-D88 WeakPolarHBondContact O-CB 3.4Å; C85-D88 PolarHBondContact O-N 2.78Å; D88-Q91 PolarHBondContact O-N 2.82Å; D88-K92 VanDerWaalsContact O-CG 3.31Å; D88-K92 WeakPolarHBondContact O-CG 3.46Å; D88-K92 PolarHBondContact O-N 3.47Å; D88-K92 IonicContact OD2-NZ 3.81Å; D88-M141 HydrophobicContact CB-CE 4.31Å; D88-M141 VanDerWaalsContact OD2-CE 3.23Å; D88-M141 WeakPolarHBondContact OD2-CE 3.41Å
89E95.3Very high94.3Very high53 Ų5342.9 Ų42.925%0.24823%0.23CC..Hα-helixtrans-70-39.6178.9-166.4167.4172.800111.9C85 F86 L87 Q91 E93 F118 R125 Y126C85-E89 PolarHBondContact O-N 2.84Å; F86-E89 PolarHBondContact O-N 2.93Å; L87-E89 VanDerWaalsContact C-N 3.3Å; L87-E89 PolarHBondContact O-N 3.42Å; E89-Q91 VanDerWaalsContact C-N 3.3Å; E89-Q91 PolarHBondContact O-N 3.13Å; E89-E93 WeakPolarHBondContact O-CB 3.36Å; E89-E93 PolarHBondContact O-N 3.24Å; E89-E93 VanDerWaalsContact O-N 3.08Å; E89-F118 HydrophobicContact CG-CZ 4.21Å; E89-R125 IonicContact OE1-CZ 2.72Å; E89-R125 IonicContact OE1-NH1 3.46Å; E89-R125 PolarHBondContact OE1-NH1 3.16Å; E89-R125 IonicContact OE1-NH2 2.6Å; E89-R125 PolarHBondContact OE1-NH2 2.98Å; E89-R125 IonicContact OE2-CZ 3.8Å; E89-R125 IonicContact OE2-NH1 2.99Å; E89-R125 PolarHBondContact OE2-NH1 2.9Å; E89-R125 IonicContact OE2-NH2 3.76Å; E89-R125 PolarHBondContact OE2-NH2 2.94Å; E89-Y126 VanDerWaalsContact OE2-CE2 3.23Å; E89-Y126 WeakPolarHBondContact OE2-CE2 3.21Å; E89-Y126 PolarHBondContact OE2-OH 3.44Å
90L97.1Very high94Very high0 Ų044.2 Ų44.20%023%0.232CC..Hα-helixtrans-60.1-42.2170.2-65.5-169.9000111.6A7 Y70 F86 L87 F94 F115 F118 I119 T122A7-L90 HydrophobicContact CB-CD1 4.09Å; Y70-L90 HydrophobicContact CD1-CB 4.1Å; F86-L90 HydrophobicContact CD1-CD1 4.23Å; F86-L90 HydrophobicContact CE1-CD1 3.48Å; F86-L90 VanDerWaalsContact CE1-CD1 3.48Å; F86-L90 HydrophobicContact CE1-CG 4.08Å; F86-L90 HydrophobicContact CE2-CD2 4.43Å; F86-L90 HydrophobicContact CE2-CG 4.46Å; F86-L90 HydrophobicContact CZ-CD1 3.65Å; F86-L90 HydrophobicContact CZ-CD2 4.24Å; F86-L90 HydrophobicContact CZ-CG 4.06Å; F86-L90 WeakPolarHBondContact O-CG 3.36Å; F86-L90 PolarHBondContact O-N 3.28Å; L87-L90 PolarHBondContact O-N 3.31Å; L90-F94 WeakPolarHBondContact O-CB 3.37Å; L90-F94 PolarHBondContact O-N 3.02Å; L90-F115 HydrophobicContact CD2-CE1 4.33Å; L90-F115 HydrophobicContact CD2-CZ 4.45Å; L90-F118 HydrophobicContact CD2-CD1 3.83Å; L90-F118 HydrophobicContact CD2-CE1 3.81Å; L90-I119 HydrophobicContact CD2-CG1 4.05Å; L90-T122 HydrophobicContact CD2-CG2 4.34Å
91Q96.2Very high93.6Very high35 Ų3548.5 Ų48.516%0.16425%0.248CC..Hα-helixtrans-61.6-52178.8175.8-178.9112.300111.8I63 Y70 L87 D88 E89 E93 F94 I95I63-Q91 HydrophobicContact CD1-CB 4.19Å; Y70-Q91 HydrophobicContact CD1-CB 4.41Å; Y70-Q91 HydrophobicContact CD2-CB 3.77Å; Y70-Q91 HydrophobicContact CD2-CG 4.11Å; Y70-Q91 HydrophobicContact CE1-CB 4.27Å; Y70-Q91 HydrophobicContact CE2-CB 3.59Å; Y70-Q91 HydrophobicContact CE2-CG 3.52Å; Y70-Q91 HydrophobicContact CG-CB 4.18Å; L87-Q91 WeakPolarHBondContact O-CB 3.2Å; L87-Q91 PolarHBondContact O-N 3.47Å; D88-Q91 PolarHBondContact O-N 2.82Å; E89-Q91 VanDerWaalsContact C-N 3.3Å; E89-Q91 PolarHBondContact O-N 3.13Å; Q91-E93 VanDerWaalsContact C-N 3.34Å; Q91-E93 PolarHBondContact O-N 3.21Å; Q91-F94 PolarHBondContact O-N 3.33Å; Q91-I95 HydrophobicContact CG-CD1 3.59Å; Q91-I95 HydrophobicContact CG-CG1 4.44Å; Q91-I95 WeakPolarHBondContact O-CB 3.46Å; Q91-I95 VanDerWaalsContact O-CG1 3.27Å; Q91-I95 WeakPolarHBondContact O-CG1 3.23Å; Q91-I95 PolarHBondContact O-N 2.8Å
92K95.4Very high93.4Very high127 Ų12753.8 Ų53.855%0.55227%0.269SS*.Hα-helixtrans-58.8-46.8-179.2-73.1167.6-173.4165.90111.3D88 T96D88-K92 VanDerWaalsContact O-CG 3.31Å; D88-K92 WeakPolarHBondContact O-CG 3.46Å; D88-K92 PolarHBondContact O-N 3.47Å; D88-K92 IonicContact OD2-NZ 3.81Å; K92-T96 WeakPolarHBondContact O-CB 3.45Å; K92-T96 PolarHBondContact O-N 3.29Å; K92-T96 PolarHBondContact O-OG1 2.9Å
93E96.6Very high93.2Very high73 Ų7352.6 Ų52.634%0.34126%0.263SS..Hα-helixtrans-66.2-44.1179.6-171.874.4-179.600111.7E89 Q91 I95 T96 T97 F115 F118E89-E93 WeakPolarHBondContact O-CB 3.36Å; E89-E93 PolarHBondContact O-N 3.24Å; E89-E93 VanDerWaalsContact O-N 3.08Å; Q91-E93 VanDerWaalsContact C-N 3.34Å; Q91-E93 PolarHBondContact O-N 3.21Å; E93-I95 PolarHBondContact O-N 3.49Å; E93-T96 PolarHBondContact O-N 3.14Å; E93-T97 VanDerWaalsContact O-CB 3.28Å; E93-T97 WeakPolarHBondContact O-CB 3.38Å; E93-T97 PolarHBondContact O-N 3.35Å; E93-T97 PolarHBondContact O-OG1 3Å; E93-F115 HydrophobicContact CB-CE2 4.02Å; E93-F115 HydrophobicContact CB-CZ 4.19Å; E93-F115 HydrophobicContact CG-CE2 3.7Å; E93-F115 HydrophobicContact CG-CZ 4.34Å; E93-F118 HydrophobicContact CB-CD1 3.94Å; E93-F118 HydrophobicContact CB-CD2 4.43Å; E93-F118 HydrophobicContact CB-CE1 3.4Å; E93-F118 VanDerWaalsContact CB-CE1 3.4Å; E93-F118 HydrophobicContact CB-CE2 3.96Å; E93-F118 HydrophobicContact CB-CG 4.42Å; E93-F118 HydrophobicContact CB-CZ 3.41Å; E93-F118 VanDerWaalsContact CB-CZ 3.41Å; E93-F118 HydrophobicContact CG-CD1 3.79Å; E93-F118 HydrophobicContact CG-CD2 3.63Å; E93-F118 HydrophobicContact CG-CE1 3.67Å; E93-F118 HydrophobicContact CG-CE2 3.5Å; E93-F118 HydrophobicContact CG-CG 3.77Å; E93-F118 HydrophobicContact CG-CZ 3.53Å
94F96.3Very high92.8Very high3 Ų355.3 Ų55.31%0.01328%0.277CS..Hα-helixtrans-63.9-42.6-178.2-170.2-90.8000111.8V9 L18 V68 Y70 L90 Q91 T96 T97 Y98 T103 F112 F115V9-F94 HydrophobicContact CG1-CD1 4.39Å; V9-F94 HydrophobicContact CG1-CD2 3.99Å; V9-F94 HydrophobicContact CG1-CE1 4.29Å; V9-F94 HydrophobicContact CG1-CE2 3.89Å; V9-F94 HydrophobicContact CG1-CG 4.25Å; V9-F94 HydrophobicContact CG1-CZ 4.05Å; V9-F94 HydrophobicContact CG2-CD2 4.45Å; L18-F94 HydrophobicContact CB-CZ 4.36Å; L18-F94 HydrophobicContact CD1-CE1 4.37Å; L18-F94 HydrophobicContact CD1-CZ 4.04Å; V68-F94 HydrophobicContact CG1-CD1 4.41Å; V68-F94 HydrophobicContact CG1-CE1 4.26Å; V68-F94 HydrophobicContact CG2-CE1 4.35Å; Y70-F94 HydrophobicContact CE1-CB 3.62Å; Y70-F94 HydrophobicContact CE1-CD1 4.13Å; Y70-F94 AromaticContact CE1-CG 3.9Å; Y70-F94 HydrophobicContact CE1-CG 3.9Å; Y70-F94 WeakPolarHBondContact OH-CD1 3.49Å; L90-F94 WeakPolarHBondContact O-CB 3.37Å; L90-F94 PolarHBondContact O-N 3.02Å; Q91-F94 PolarHBondContact O-N 3.33Å; F94-T96 VanDerWaalsContact C-N 3.32Å; F94-T97 PolarHBondContact O-N 3.35Å; F94-Y98 HydrophobicContact CD1-CD2 4.4Å; F94-Y98 AromaticContact CD2-CD2 3.47Å; F94-Y98 HydrophobicContact CD2-CD2 3.47Å; F94-Y98 VanDerWaalsContact CD2-CD2 3.47Å; F94-Y98 AromaticContact CD2-CE2 3.76Å; F94-Y98 HydrophobicContact CD2-CE2 3.76Å; F94-Y98 HydrophobicContact CE1-CD2 4.36Å; F94-Y98 AromaticContact CE2-CD2 3.42Å; F94-Y98 HydrophobicContact CE2-CD2 3.42Å; F94-Y98 VanDerWaalsContact CE2-CD2 3.42Å; F94-Y98 AromaticContact CE2-CE2 3.75Å; F94-Y98 HydrophobicContact CE2-CE2 3.75Å; F94-Y98 HydrophobicContact CE2-CG 4.31Å; F94-Y98 AromaticContact CG-CD2 3.97Å; F94-Y98 HydrophobicContact CG-CD2 3.97Å; F94-Y98 AromaticContact CZ-CD2 3.9Å; F94-Y98 HydrophobicContact CZ-CD2 3.9Å; F94-Y98 HydrophobicContact CZ-CG 4.4Å; F94-Y98 PolarHBondContact O-N 2.94Å; F94-T103 HydrophobicContact CE1-CG2 4.09Å; F94-T103 HydrophobicContact CZ-CG2 4.44Å; F94-F112 HydrophobicContact CE2-CB 4.08Å; F94-F112 HydrophobicContact CE2-CD2 4.46Å; F94-F112 HydrophobicContact CE2-CG 4.23Å; F94-F112 HydrophobicContact CZ-CB 4.5Å; F94-F112 HydrophobicContact CZ-CD2 4.05Å; F94-F112 HydrophobicContact CZ-CE2 4.45Å; F94-F112 HydrophobicContact CZ-CG 4.18Å; F94-F115 HydrophobicContact CB-CE1 4.21Å; F94-F115 HydrophobicContact CB-CE2 4.09Å; F94-F115 HydrophobicContact CB-CZ 3.75Å; F94-F115 AromaticContact CD2-CD1 3.82Å; F94-F115 HydrophobicContact CD2-CD1 3.82Å; F94-F115 HydrophobicContact CD2-CD2 4.16Å; F94-F115 AromaticContact CD2-CE1 3.9Å; F94-F115 HydrophobicContact CD2-CE1 3.9Å; F94-F115 HydrophobicContact CD2-CE2 4.2Å; F94-F115 AromaticContact CD2-CG 3.96Å; F94-F115 HydrophobicContact CD2-CG 3.96Å; F94-F115 HydrophobicContact CD2-CZ 4.09Å; F94-F115 HydrophobicContact CE2-CD1 4.49Å; F94-F115 HydrophobicContact CG-CZ 4.45Å
95I93.9Very high92.5Very high74 Ų7460 Ų6038%0.37931%0.306SS..Hα-helixtrans-63.8-39.3175.8-68.2169.4000111L66 Q91 E93L66-I95 HydrophobicContact CD1-CD1 3.92Å; L66-I95 HydrophobicContact CD1-CG1 4.35Å; Q91-I95 HydrophobicContact CG-CD1 3.59Å; Q91-I95 HydrophobicContact CG-CG1 4.44Å; Q91-I95 WeakPolarHBondContact O-CB 3.46Å; Q91-I95 VanDerWaalsContact O-CG1 3.27Å; Q91-I95 WeakPolarHBondContact O-CG1 3.23Å; Q91-I95 PolarHBondContact O-N 2.8Å; E93-I95 PolarHBondContact O-N 3.49Å
96T94.7Very high92.2Very high117 Ų11759.9 Ų59.972%0.71831%0.306SS*.Hα-helixtrans-70.7-38.8179.5-56.70000111.7K92 E93 F94K92-T96 WeakPolarHBondContact O-CB 3.45Å; K92-T96 PolarHBondContact O-N 3.29Å; K92-T96 PolarHBondContact O-OG1 2.9Å; E93-T96 PolarHBondContact O-N 3.14Å; F94-T96 VanDerWaalsContact C-N 3.32Å
97T94.6Very high91.9Very high70 Ų7064.3 Ų64.343%0.42933%0.329SS..Hα-helixtrans-80.9-39-174.6-53.60000112.4E93 F94E93-T97 VanDerWaalsContact O-CB 3.28Å; E93-T97 WeakPolarHBondContact O-CB 3.38Å; E93-T97 PolarHBondContact O-N 3.35Å; E93-T97 PolarHBondContact O-OG1 3Å; F94-T97 PolarHBondContact O-N 3.35Å
98Y92.6Very high91.6Very high42 Ų4273 Ų7317%0.16536%0.361CS..SBendtrans-118.9131.2-170.4-57.6-68.9000112.5F94 M100 F112 F115F94-Y98 HydrophobicContact CD1-CD2 4.4Å; F94-Y98 AromaticContact CD2-CD2 3.47Å; F94-Y98 HydrophobicContact CD2-CD2 3.47Å; F94-Y98 VanDerWaalsContact CD2-CD2 3.47Å; F94-Y98 AromaticContact CD2-CE2 3.76Å; F94-Y98 HydrophobicContact CD2-CE2 3.76Å; F94-Y98 HydrophobicContact CE1-CD2 4.36Å; F94-Y98 AromaticContact CE2-CD2 3.42Å; F94-Y98 HydrophobicContact CE2-CD2 3.42Å; F94-Y98 VanDerWaalsContact CE2-CD2 3.42Å; F94-Y98 AromaticContact CE2-CE2 3.75Å; F94-Y98 HydrophobicContact CE2-CE2 3.75Å; F94-Y98 HydrophobicContact CE2-CG 4.31Å; F94-Y98 AromaticContact CG-CD2 3.97Å; F94-Y98 HydrophobicContact CG-CD2 3.97Å; F94-Y98 AromaticContact CZ-CD2 3.9Å; F94-Y98 HydrophobicContact CZ-CD2 3.9Å; F94-Y98 HydrophobicContact CZ-CG 4.4Å; F94-Y98 PolarHBondContact O-N 2.94Å; Y98-M100 PolarHBondContact O-N 3.13Å; Y98-F112 AromaticContact CD1-CD1 3.31Å; Y98-F112 HydrophobicContact CD1-CD1 3.31Å; Y98-F112 AromaticContact CD1-CE1 3.65Å; Y98-F112 HydrophobicContact CD1-CE1 3.65Å; Y98-F112 HydrophobicContact CD1-CG 4.34Å; Y98-F112 HydrophobicContact CD2-CD1 4.24Å; Y98-F112 HydrophobicContact CE1-CB 4.34Å; Y98-F112 AromaticContact CE1-CD1 3.49Å; Y98-F112 HydrophobicContact CE1-CD1 3.49Å; Y98-F112 VanDerWaalsContact CE1-CD1 3.49Å; Y98-F112 HydrophobicContact CE1-CE1 4.26Å; Y98-F112 HydrophobicContact CE1-CG 4.35Å; Y98-F112 HydrophobicContact CE2-CB 4.23Å; Y98-F112 HydrophobicContact CE2-CD1 4.38Å; Y98-F112 AromaticContact CG-CD1 3.7Å; Y98-F112 HydrophobicContact CG-CD1 3.7Å; Y98-F112 AromaticContact CG-CE1 3.97Å; Y98-F112 HydrophobicContact CG-CE1 3.97Å; Y98-F112 HydrophobicContact CG-CG 4.46Å; Y98-F115 HydrophobicContact CE2-CB 3.81Å; Y98-F115 AromaticContact CE2-CD2 3.62Å; Y98-F115 HydrophobicContact CE2-CD2 3.62Å; Y98-F115 HydrophobicContact CE2-CE2 4.46Å; Y98-F115 AromaticContact CE2-CG 3.91Å; Y98-F115 HydrophobicContact CE2-CG 3.91Å; Y98-F115 PolarHBondContact OH-N 3.26Å
99N87.7Confident91.4Very high99 Ų9975 Ų7553%0.52938%0.376SS..  trans-67130.5176.8-174.4-44.6000111.2M101 K102 T103N99-M101 VanDerWaalsContact C-N 3.28Å; N99-M101 PolarHBondContact O-N 3.49Å; N99-M101 VanDerWaalsContact OD1-CB 3.31Å; N99-M101 WeakPolarHBondContact OD1-CB 3.39Å; N99-M101 PolarHBondContact OD1-N 3.14Å; N99-K102 HydrophobicContact CB-CG 4.37Å; N99-K102 WeakPolarHBondContact O-CB 3.49Å; N99-K102 PolarHBondContact O-N 3.13Å; N99-T103 PolarHBondContact O-N 2.75Å; N99-T103 VanDerWaalsContact O-N 3.08Å; N99-T103 PolarHBondContact O-OG1 3.38Å
100M86.3Confident91.4Very high90 Ų9077.7 Ų77.744%0.44339%0.385SS..Hα-helixtrans-54.3-37.8178.3-170.5175.5-178.900113.8L66 Y98 T103 N104L66-M100 HydrophobicContact CB-CE 3.77Å; L66-M100 HydrophobicContact CB-SD 4.25Å; L66-M100 HydrophobicContact CD1-SD 4.5Å; L66-M100 HydrophobicContact CD2-CE 4.13Å; L66-M100 HydrophobicContact CD2-SD 4.42Å; L66-M100 HydrophobicContact CG-CE 4.48Å; Y98-M100 PolarHBondContact O-N 3.13Å; M100-T103 PolarHBondContact O-N 3.49Å; M100-N104 WeakPolarHBondContact O-CB 3.48Å; M100-N104 PolarHBondContact O-N 2.91Å; M100-N104 PolarHBondContact O-ND2 3.35Å
101M83.5Confident91.2Very high137 Ų13780.5 Ų80.568%0.67540%0.404SS*.Hα-helixtrans-59.2-49.2174.7-73.2-84.9-82.300110.9N99 T103 N104 T105N99-M101 VanDerWaalsContact C-N 3.28Å; N99-M101 PolarHBondContact O-N 3.49Å; N99-M101 VanDerWaalsContact OD1-CB 3.31Å; N99-M101 WeakPolarHBondContact OD1-CB 3.39Å; N99-M101 PolarHBondContact OD1-N 3.14Å; M101-T103 VanDerWaalsContact C-N 3.28Å; M101-T103 PolarHBondContact O-N 3.19Å; M101-N104 PolarHBondContact O-N 3.46Å; M101-T105 WeakPolarHBondContact O-CG2 3.26Å; M101-T105 PolarHBondContact O-N 3.34Å; M101-T105 PolarHBondContact O-OG1 3.33Å; M101-T105 VanDerWaalsContact O-OG1 3.08Å
102K86.5Confident91.2Very high143 Ų14379.8 Ų79.862%0.62240%0.4SS*.Hα-helixtrans-61.6-37.9178.1-70.4-172.6176.1-1780111.6N99 T105 A106 F112N99-K102 HydrophobicContact CB-CG 4.37Å; N99-K102 WeakPolarHBondContact O-CB 3.49Å; N99-K102 PolarHBondContact O-N 3.13Å; K102-T105 PolarHBondContact O-OG1 3.05Å; K102-A106 WeakPolarHBondContact O-CB 3.37Å; K102-A106 PolarHBondContact O-N 3.03Å; K102-F112 HydrophobicContact CB-CZ 4.44Å
103T89Confident91.1Very high4 Ų478.6 Ų78.63%0.02540%0.399CS..Hα-helixtrans-66-40.9176.6-56.90000112.2R11 L18 V68 F94 N99 M100 M101R11-T103 PolarHBondContact NH1-O 3.46Å; L18-T103 HydrophobicContact CD1-CG2 3.55Å; L18-T103 HydrophobicContact CD2-CG2 4.49Å; V68-T103 HydrophobicContact CG2-CG2 3.54Å; F94-T103 HydrophobicContact CE1-CG2 4.09Å; F94-T103 HydrophobicContact CZ-CG2 4.44Å; N99-T103 PolarHBondContact O-N 2.75Å; N99-T103 VanDerWaalsContact O-N 3.08Å; N99-T103 PolarHBondContact O-OG1 3.38Å; M100-T103 PolarHBondContact O-N 3.49Å; M101-T103 VanDerWaalsContact C-N 3.28Å; M101-T103 PolarHBondContact O-N 3.19Å
104N86.9Confident91Very high58 Ų5882.2 Ų82.231%0.3142%0.415SS..Hα-helixtrans-73-31179.8-74.7-25.7000113.4R11 M100 M101R11-N104 PolarHBondContact NH1-O 2.84Å; M100-N104 WeakPolarHBondContact O-CB 3.48Å; M100-N104 PolarHBondContact O-N 2.91Å; M100-N104 PolarHBondContact O-ND2 3.35Å; M101-N104 PolarHBondContact O-N 3.46Å
105T89.4Confident91Very high99 Ų9982.3 Ų82.361%0.60742%0.416SS*.Hα-helixtrans-91.9-4.5177.263.50000113.5M101 K102 I107M101-T105 WeakPolarHBondContact O-CG2 3.26Å; M101-T105 PolarHBondContact O-N 3.34Å; M101-T105 PolarHBondContact O-OG1 3.33Å; M101-T105 VanDerWaalsContact O-OG1 3.08Å; K102-T105 PolarHBondContact O-OG1 3.05Å; T105-I107 WeakPolarHBondContact O-CG1 3.37Å; T105-I107 PolarHBondContact O-N 2.84Å
106A86.8Confident91.1Very high8 Ų879.4 Ų79.47%0.06640%0.401CS..  trans-58.5132.5178.400000111.3R11 L16 L18 K102 C111 F112R11-A106 PolarHBondContact NH1-O 2.85Å; R11-A106 PolarHBondContact NH2-O 3.08Å; L16-A106 HydrophobicContact CD2-CB 4.35Å; L16-A106 WeakPolarHBondContact CD2-O 3.31Å; L18-A106 HydrophobicContact CD2-CB 4.36Å; K102-A106 WeakPolarHBondContact O-CB 3.37Å; K102-A106 PolarHBondContact O-N 3.03Å; A106-C111 HydrophobicContact CB-CB 4.31Å; A106-F112 HydrophobicContact CB-CE2 4.06Å
107I89.1Confident91.1Very high93 Ų9378.4 Ų78.448%0.47739%0.391SS..  trans-113.5-37.1179.8-55178000110.3T105 D305T105-I107 WeakPolarHBondContact O-CG1 3.37Å; T105-I107 PolarHBondContact O-N 2.84Å; I107-D305 HydrophobicContact CD1-CB 4.16Å
108R89.9Confident91.2Very high181 Ų18177.1 Ų77.168%0.68338%0.38SS*.SBendtrans-80.4131.9-175.2178.9-175.4177.2179.1-0110.8Y110 C111R108-Y110 PolarHBondContact O-N 3.32Å; R108-C111 VanDerWaalsContact CB-SG 3.59Å; R108-C111 PolarHBondContact O-N 2.85Å; R108-C111 PolarHBondContact O-SG 2.68Å
109P92.1Very high91.4Very high68 Ų6875.1 Ų75.144%0.44237%0.372SS..THydrogen-bonded Turntrans-55.6137.8169-27.336000111.4L16 P17 C111L16-P109 HydrophobicContact CD1-CB 4.46Å; L16-P109 HydrophobicContact CD1-CG 3.99Å; P17-P109 HydrophobicContact CG-CB 4Å; P109-C111 VanDerWaalsContact C-N 3.28Å; P109-C111 PolarHBondContact O-N 3Å
110Y94.8Very high91.8Very high111 Ų11173 Ų7344%0.43536%0.359SS..THydrogen-bonded Turntrans60.333.9-179.5-50.5-79.6000113.7P17 L18 A20 R108 F112 I113P17-Y110 HydrophobicContact CB-CD1 4.25Å; P17-Y110 HydrophobicContact CB-CE1 3.74Å; P17-Y110 HydrophobicContact CB-CE2 4.29Å; P17-Y110 HydrophobicContact CG-CD2 4.41Å; P17-Y110 HydrophobicContact CG-CE1 4.3Å; P17-Y110 HydrophobicContact CG-CE2 3.94Å; P17-Y110 PolarHBondContact O-N 2.89Å; L18-Y110 CarbonylContact O-C 3.54Å; L18-Y110 VanDerWaalsContact O-CA 3.29Å; L18-Y110 WeakPolarHBondContact O-CA 3.16Å; A20-Y110 HydrophobicContact CB-CD1 4.44Å; A20-Y110 HydrophobicContact CB-CE1 3.76Å; R108-Y110 PolarHBondContact O-N 3.32Å; Y110-F112 PolarHBondContact O-N 3.35Å; Y110-F112 VanDerWaalsContact O-N 3.08Å; Y110-I113 WeakPolarHBondContact O-CB 3.47Å; Y110-I113 PolarHBondContact O-N 2.98Å; Y110-I113 VanDerWaalsContact O-N 3.16Å
111C93.6Very high92.1Very high59 Ų5977.4 Ų77.440%0.39937%0.371SS..THydrogen-bonded Turntrans-52.1-27173-95.20000113.8A106 R108 P109A106-C111 HydrophobicContact CB-CB 4.31Å; R108-C111 VanDerWaalsContact CB-SG 3.59Å; R108-C111 PolarHBondContact O-N 2.85Å; R108-C111 PolarHBondContact O-SG 2.68Å; P109-C111 VanDerWaalsContact C-N 3.28Å; P109-C111 PolarHBondContact O-N 3Å
112F94.8Very high92.6Very high19 Ų1971 Ų718%0.08334%0.339CS..THydrogen-bonded Turntrans-113.439.1-177-52.9-78.2000110.9L18 S19 F94 Y98 K102 A106 Y110 E114 F115L18-F112 HydrophobicContact CB-CD2 3.88Å; L18-F112 HydrophobicContact CD2-CD2 4.04Å; L18-F112 HydrophobicContact CD2-CE2 3.94Å; L18-F112 HydrophobicContact CG-CD2 4.43Å; L18-F112 CarbonylContact O-C 3.56Å; L18-F112 WeakPolarHBondContact O-CA 3.47Å; L18-F112 WeakPolarHBondContact O-CB 3.44Å; L18-F112 PolarHBondContact O-N 3.01Å; S19-F112 WeakPolarHBondContact CB-O 3.31Å; S19-F112 PolarHBondContact OG-O 2.82Å; F94-F112 HydrophobicContact CE2-CB 4.08Å; F94-F112 HydrophobicContact CE2-CD2 4.46Å; F94-F112 HydrophobicContact CE2-CG 4.23Å; F94-F112 HydrophobicContact CZ-CB 4.5Å; F94-F112 HydrophobicContact CZ-CD2 4.05Å; F94-F112 HydrophobicContact CZ-CE2 4.45Å; F94-F112 HydrophobicContact CZ-CG 4.18Å; Y98-F112 AromaticContact CD1-CD1 3.31Å; Y98-F112 HydrophobicContact CD1-CD1 3.31Å; Y98-F112 AromaticContact CD1-CE1 3.65Å; Y98-F112 HydrophobicContact CD1-CE1 3.65Å; Y98-F112 HydrophobicContact CD1-CG 4.34Å; Y98-F112 HydrophobicContact CD2-CD1 4.24Å; Y98-F112 HydrophobicContact CE1-CB 4.34Å; Y98-F112 AromaticContact CE1-CD1 3.49Å; Y98-F112 HydrophobicContact CE1-CD1 3.49Å; Y98-F112 VanDerWaalsContact CE1-CD1 3.49Å; Y98-F112 HydrophobicContact CE1-CE1 4.26Å; Y98-F112 HydrophobicContact CE1-CG 4.35Å; Y98-F112 HydrophobicContact CE2-CB 4.23Å; Y98-F112 HydrophobicContact CE2-CD1 4.38Å; Y98-F112 AromaticContact CG-CD1 3.7Å; Y98-F112 HydrophobicContact CG-CD1 3.7Å; Y98-F112 AromaticContact CG-CE1 3.97Å; Y98-F112 HydrophobicContact CG-CE1 3.97Å; Y98-F112 HydrophobicContact CG-CG 4.46Å; K102-F112 HydrophobicContact CB-CZ 4.44Å; A106-F112 HydrophobicContact CB-CE2 4.06Å; Y110-F112 PolarHBondContact O-N 3.35Å; Y110-F112 VanDerWaalsContact O-N 3.08Å; F112-E114 PolarHBondContact O-N 2.99Å; F112-E114 VanDerWaalsContact O-N 3.15Å; F112-F115 VanDerWaalsContact O-CB 3.24Å; F112-F115 WeakPolarHBondContact O-CB 3.27Å; F112-F115 PolarHBondContact O-N 2.81Å
113I94.1Very high93Very high103 Ų10365.2 Ų65.253%0.52831%0.314SS..G310 helixtrans-57.2-29.2-177.3-166.9164.1000113Y110 F115 D116Y110-I113 WeakPolarHBondContact O-CB 3.47Å; Y110-I113 PolarHBondContact O-N 2.98Å; Y110-I113 VanDerWaalsContact O-N 3.16Å; I113-F115 PolarHBondContact O-N 3.26Å; I113-F115 VanDerWaalsContact O-N 3.15Å; I113-D116 WeakPolarHBondContact O-CB 3.45Å; I113-D116 PolarHBondContact O-N 3.17Å
114E94.3Very high93.1Very high149 Ų14970.5 Ų70.570%0.69634%0.339SS*.G310 helixtrans-61-24.8177.6-64.7179.5175.600113F112 D116 N117F112-E114 PolarHBondContact O-N 2.99Å; F112-E114 VanDerWaalsContact O-N 3.15Å; E114-D116 PolarHBondContact O-N 3.47Å; E114-N117 WeakPolarHBondContact O-CB 3.4Å; E114-N117 PolarHBondContact O-N 3.41Å; E114-N117 PolarHBondContact O-ND2 3.04Å
115F96.7Very high93.4Very high5 Ų570.7 Ų70.72%0.02234%0.335CS..G310 helixtrans-64.4-18.8174.5-164.8-112.9000113.3V9 L90 E93 F94 Y98 F112 I113 N117 F118 I119V9-F115 HydrophobicContact CG2-CD1 3.95Å; V9-F115 HydrophobicContact CG2-CE1 3.83Å; L90-F115 HydrophobicContact CD2-CE1 4.33Å; L90-F115 HydrophobicContact CD2-CZ 4.45Å; E93-F115 HydrophobicContact CB-CE2 4.02Å; E93-F115 HydrophobicContact CB-CZ 4.19Å; E93-F115 HydrophobicContact CG-CE2 3.7Å; E93-F115 HydrophobicContact CG-CZ 4.34Å; F94-F115 HydrophobicContact CB-CE1 4.21Å; F94-F115 HydrophobicContact CB-CE2 4.09Å; F94-F115 HydrophobicContact CB-CZ 3.75Å; F94-F115 AromaticContact CD2-CD1 3.82Å; F94-F115 HydrophobicContact CD2-CD1 3.82Å; F94-F115 HydrophobicContact CD2-CD2 4.16Å; F94-F115 AromaticContact CD2-CE1 3.9Å; F94-F115 HydrophobicContact CD2-CE1 3.9Å; F94-F115 HydrophobicContact CD2-CE2 4.2Å; F94-F115 AromaticContact CD2-CG 3.96Å; F94-F115 HydrophobicContact CD2-CG 3.96Å; F94-F115 HydrophobicContact CD2-CZ 4.09Å; F94-F115 HydrophobicContact CE2-CD1 4.49Å; F94-F115 HydrophobicContact CG-CZ 4.45Å; Y98-F115 HydrophobicContact CE2-CB 3.81Å; Y98-F115 AromaticContact CE2-CD2 3.62Å; Y98-F115 HydrophobicContact CE2-CD2 3.62Å; Y98-F115 HydrophobicContact CE2-CE2 4.46Å; Y98-F115 AromaticContact CE2-CG 3.91Å; Y98-F115 HydrophobicContact CE2-CG 3.91Å; Y98-F115 PolarHBondContact OH-N 3.26Å; F112-F115 VanDerWaalsContact O-CB 3.24Å; F112-F115 WeakPolarHBondContact O-CB 3.27Å; F112-F115 PolarHBondContact O-N 2.81Å; I113-F115 PolarHBondContact O-N 3.26Å; I113-F115 VanDerWaalsContact O-N 3.15Å; F115-N117 PolarHBondContact O-N 2.86Å; F115-F118 HydrophobicContact CD2-CB 4.1Å; F115-F118 HydrophobicContact CE1-CD1 4.37Å; F115-F118 HydrophobicContact CE2-CB 4.04Å; F115-F118 AromaticContact CE2-CD1 3.77Å; F115-F118 HydrophobicContact CE2-CD1 3.77Å; F115-F118 HydrophobicContact CE2-CG 4.08Å; F115-F118 AromaticContact CZ-CD1 3.61Å; F115-F118 HydrophobicContact CZ-CD1 3.61Å; F115-F118 HydrophobicContact CZ-CE1 4.24Å; F115-F118 HydrophobicContact CZ-CG 4.37Å; F115-F118 WeakPolarHBondContact O-CB 3.44Å; F115-F118 PolarHBondContact O-N 3.44Å; F115-I119 HydrophobicContact CD1-CD1 3.75Å; F115-I119 HydrophobicContact CD1-CG1 3.69Å; F115-I119 HydrophobicContact CE1-CD1 4.16Å; F115-I119 HydrophobicContact CE1-CG1 3.77Å; F115-I119 WeakPolarHBondContact O-CG1 3.45Å; F115-I119 PolarHBondContact O-N 2.99Å
116D95.8Very high93.5Very high12 Ų1266.3 Ų66.36%0.06431%0.307CS..Hα-helixtrans-53.5-37.4172.8-175.212.1000111.2S19 S21 T22 I113 E114 F118 I119 Q120S19-D116 PolarHBondContact OG-N 2.94Å; S21-D116 VanDerWaalsContact CA-OD1 3.26Å; S21-D116 WeakPolarHBondContact CA-OD1 3.35Å; T22-D116 WeakPolarHBondContact CB-OD2 3.49Å; T22-D116 WeakPolarHBondContact CG2-OD2 3.49Å; T22-D116 PolarHBondContact N-OD1 2.57Å; T22-D116 PolarHBondContact N-OD2 3.04Å; T22-D116 PolarHBondContact OG1-OD2 2.94Å; I113-D116 WeakPolarHBondContact O-CB 3.45Å; I113-D116 PolarHBondContact O-N 3.17Å; E114-D116 PolarHBondContact O-N 3.47Å; D116-F118 VanDerWaalsContact C-N 3.29Å; D116-F118 PolarHBondContact O-N 2.89Å; D116-I119 PolarHBondContact O-N 3.34Å; D116-I119 VanDerWaalsContact O-N 3.13Å; D116-Q120 VanDerWaalsContact CG-NE2 3.26Å; D116-Q120 WeakPolarHBondContact O-CG 3.36Å; D116-Q120 PolarHBondContact O-N 3.04Å; D116-Q120 VanDerWaalsContact OD1-CG 3.31Å; D116-Q120 WeakPolarHBondContact OD1-CG 3.3Å; D116-Q120 PolarHBondContact OD1-NE2 3.45Å; D116-Q120 PolarHBondContact OD2-NE2 2.63Å; D116-Q120 VanDerWaalsContact OD2-NE2 3.1Å
117N95.6Very high93.7Very high97 Ų9768.3 Ų68.352%0.51932%0.317SS..Hα-helixtrans-57.5-42.1176.3-67.5-59.7000112.5E114 F115 R121E114-N117 WeakPolarHBondContact O-CB 3.4Å; E114-N117 PolarHBondContact O-N 3.41Å; E114-N117 PolarHBondContact O-ND2 3.04Å; F115-N117 PolarHBondContact O-N 2.86Å; N117-R121 VanDerWaalsContact O-CG 3.27Å; N117-R121 WeakPolarHBondContact O-CG 3.47Å; N117-R121 PolarHBondContact O-N 2.9Å
118F96.6Very high93.6Very high42 Ų4268.5 Ų68.518%0.18432%0.319CS..Hα-helixtrans-69.8-45.3176.1-177.2-96.4000110.9E89 L90 E93 F115 D116 Q120 R121 T122E89-F118 HydrophobicContact CG-CZ 4.21Å; L90-F118 HydrophobicContact CD2-CD1 3.83Å; L90-F118 HydrophobicContact CD2-CE1 3.81Å; E93-F118 HydrophobicContact CB-CD1 3.94Å; E93-F118 HydrophobicContact CB-CD2 4.43Å; E93-F118 HydrophobicContact CB-CE1 3.4Å; E93-F118 VanDerWaalsContact CB-CE1 3.4Å; E93-F118 HydrophobicContact CB-CE2 3.96Å; E93-F118 HydrophobicContact CB-CG 4.42Å; E93-F118 HydrophobicContact CB-CZ 3.41Å; E93-F118 VanDerWaalsContact CB-CZ 3.41Å; E93-F118 HydrophobicContact CG-CD1 3.79Å; E93-F118 HydrophobicContact CG-CD2 3.63Å; E93-F118 HydrophobicContact CG-CE1 3.67Å; E93-F118 HydrophobicContact CG-CE2 3.5Å; E93-F118 HydrophobicContact CG-CG 3.77Å; E93-F118 HydrophobicContact CG-CZ 3.53Å; F115-F118 HydrophobicContact CD2-CB 4.1Å; F115-F118 HydrophobicContact CE1-CD1 4.37Å; F115-F118 HydrophobicContact CE2-CB 4.04Å; F115-F118 AromaticContact CE2-CD1 3.77Å; F115-F118 HydrophobicContact CE2-CD1 3.77Å; F115-F118 HydrophobicContact CE2-CG 4.08Å; F115-F118 AromaticContact CZ-CD1 3.61Å; F115-F118 HydrophobicContact CZ-CD1 3.61Å; F115-F118 HydrophobicContact CZ-CE1 4.24Å; F115-F118 HydrophobicContact CZ-CG 4.37Å; F115-F118 WeakPolarHBondContact O-CB 3.44Å; F115-F118 PolarHBondContact O-N 3.44Å; D116-F118 VanDerWaalsContact C-N 3.29Å; D116-F118 PolarHBondContact O-N 2.89Å; F118-Q120 VanDerWaalsContact C-N 3.3Å; F118-Q120 PolarHBondContact O-N 3.1Å; F118-R121 PolarHBondContact O-N 3.24Å; F118-T122 WeakPolarHBondContact CE1-OG1 3.38Å; F118-T122 WeakPolarHBondContact CZ-OG1 3.04Å; F118-T122 WeakPolarHBondContact O-CB 3.26Å; F118-T122 PolarHBondContact O-N 3.37Å; F118-T122 PolarHBondContact O-OG1 3.44Å; F118-T122 VanDerWaalsContact O-OG1 3.14Å
119I96.7Very high92.5Very high0 Ų065.4 Ų65.40%032%0.32CS..Hα-helixtrans-54-48.4177-64.7172.4000110.4A7 V9 L90 F115 D116 T122 K123A7-I119 HydrophobicContact CB-CG2 3.79Å; V9-I119 HydrophobicContact CG2-CD1 4.33Å; L90-I119 HydrophobicContact CD2-CG1 4.05Å; F115-I119 HydrophobicContact CD1-CD1 3.75Å; F115-I119 HydrophobicContact CD1-CG1 3.69Å; F115-I119 HydrophobicContact CE1-CD1 4.16Å; F115-I119 HydrophobicContact CE1-CG1 3.77Å; F115-I119 WeakPolarHBondContact O-CG1 3.45Å; F115-I119 PolarHBondContact O-N 2.99Å; D116-I119 PolarHBondContact O-N 3.34Å; D116-I119 VanDerWaalsContact O-N 3.13Å; I119-T122 PolarHBondContact O-N 3.1Å; I119-K123 WeakPolarHBondContact O-CB 3.37Å; I119-K123 PolarHBondContact O-N 3.03Å
120Q95Very high91.4Very high55 Ų5573.3 Ų73.326%0.25734%0.341SS..Hα-helixtrans-64.2-46.7-178.9-71.3-179.919.400112.4T22 D116 F118 T122 K123 Q124T22-Q120 PolarHBondContact OG1-NE2 3.05Å; D116-Q120 VanDerWaalsContact CG-NE2 3.26Å; D116-Q120 WeakPolarHBondContact O-CG 3.36Å; D116-Q120 PolarHBondContact O-N 3.04Å; D116-Q120 VanDerWaalsContact OD1-CG 3.31Å; D116-Q120 WeakPolarHBondContact OD1-CG 3.3Å; D116-Q120 PolarHBondContact OD1-NE2 3.45Å; D116-Q120 PolarHBondContact OD2-NE2 2.63Å; D116-Q120 VanDerWaalsContact OD2-NE2 3.1Å; F118-Q120 VanDerWaalsContact C-N 3.3Å; F118-Q120 PolarHBondContact O-N 3.1Å; Q120-T122 PolarHBondContact O-N 3.07Å; Q120-K123 PolarHBondContact O-N 2.96Å; Q120-Q124 WeakPolarHBondContact O-CB 3.43Å; Q120-Q124 VanDerWaalsContact O-CG 3.27Å; Q120-Q124 WeakPolarHBondContact O-CG 3.44Å; Q120-Q124 PolarHBondContact O-N 3.16Å
121R93.8Very high89.9Confident183 Ų18370.5 Ų70.569%0.69134%0.338SS*.Hα-helixtrans-60.7-45.9177.8-72.4174-175.1-176.62.9111.6N117 F118 Q124 R125N117-R121 VanDerWaalsContact O-CG 3.27Å; N117-R121 WeakPolarHBondContact O-CG 3.47Å; N117-R121 PolarHBondContact O-N 2.9Å; F118-R121 PolarHBondContact O-N 3.24Å; R121-Q124 PolarHBondContact O-N 2.94Å; R121-R125 PolarHBondContact O-N 3.2Å; R121-R125 VanDerWaalsContact O-N 3.13Å
122T94.3Very high88.5Confident3 Ų368.5 Ų68.52%0.01832%0.323CS..Hα-helixtrans-65-46.3177.7-63.30000110.3F86 L90 F118 I119 Q120 Q124 R125 Y126F86-T122 HydrophobicContact CD2-CG2 3.66Å; F86-T122 HydrophobicContact CE2-CG2 3.66Å; L90-T122 HydrophobicContact CD2-CG2 4.34Å; F118-T122 WeakPolarHBondContact CE1-OG1 3.38Å; F118-T122 WeakPolarHBondContact CZ-OG1 3.04Å; F118-T122 WeakPolarHBondContact O-CB 3.26Å; F118-T122 PolarHBondContact O-N 3.37Å; F118-T122 PolarHBondContact O-OG1 3.44Å; F118-T122 VanDerWaalsContact O-OG1 3.14Å; I119-T122 PolarHBondContact O-N 3.1Å; Q120-T122 PolarHBondContact O-N 3.07Å; T122-Q124 VanDerWaalsContact C-N 3.34Å; T122-Q124 PolarHBondContact O-N 3.06Å; T122-R125 PolarHBondContact O-N 3.01Å; T122-R125 VanDerWaalsContact O-N 3.13Å; T122-Y126 HydrophobicContact CG2-CD2 3.81Å; T122-Y126 HydrophobicContact CG2-CE2 3.72Å; T122-Y126 VanDerWaalsContact O-CD2 3.26Å; T122-Y126 WeakPolarHBondContact O-CD2 3.31Å; T122-Y126 PolarHBondContact O-N 3.06Å
123K93.6Very high86.5Confident21 Ų2172.3 Ų72.39%0.09135%0.352CS..Hα-helixtrans-58.2-44.4177.4-171.4-178.269.7165.10112.2I4 L5 D23 F86 I119 Q120 R125 Y126 N127I4-K123 HydrophobicContact CB-CD 4.3Å; I4-K123 HydrophobicContact CB-CG 3.85Å; I4-K123 HydrophobicContact CG2-CD 3.92Å; I4-K123 HydrophobicContact CG2-CG 3.79Å; L5-K123 PolarHBondContact O-NZ 2.69Å; D23-K123 IonicContact OD1-NZ 3.49Å; D23-K123 PolarHBondContact OD1-NZ 2.67Å; D23-K123 IonicContact OD2-NZ 3.81Å; D23-K123 PolarHBondContact OD2-NZ 3.32Å; F86-K123 HydrophobicContact CE2-CB 4.13Å; F86-K123 HydrophobicContact CZ-CB 4.47Å; I119-K123 WeakPolarHBondContact O-CB 3.37Å; I119-K123 PolarHBondContact O-N 3.03Å; Q120-K123 PolarHBondContact O-N 2.96Å; K123-R125 VanDerWaalsContact C-N 3.34Å; K123-R125 PolarHBondContact O-N 3.43Å; K123-Y126 PolarHBondContact O-N 3.26Å; K123-N127 WeakPolarHBondContact O-CB 3.47Å; K123-N127 PolarHBondContact O-N 3.38Å
124Q91.9Very high84.4Confident115 Ų11572.9 Ų72.954%0.53736%0.361SS..Hα-helixtrans-59.6-43.6176.5-75173.9700111.8Q120 R121 T122 N127 N128Q120-Q124 WeakPolarHBondContact O-CB 3.43Å; Q120-Q124 VanDerWaalsContact O-CG 3.27Å; Q120-Q124 WeakPolarHBondContact O-CG 3.44Å; Q120-Q124 PolarHBondContact O-N 3.16Å; R121-Q124 PolarHBondContact O-N 2.94Å; T122-Q124 VanDerWaalsContact C-N 3.34Å; T122-Q124 PolarHBondContact O-N 3.06Å; Q124-N127 PolarHBondContact O-N 3.01Å; Q124-N128 WeakPolarHBondContact O-CB 3.5Å; Q124-N128 PolarHBondContact O-N 3.28Å; Q124-N128 PolarHBondContact O-ND2 3.33Å
125R91.8Very high82.7Confident61 Ų6174.7 Ų74.723%0.2337%0.366CS..Hα-helixtrans-61.9-45.1174.7177.6170.544.7107.17.6111.8E89 R121 T122 K123 N127 N128 S131 L132E89-R125 IonicContact OE1-CZ 2.72Å; E89-R125 IonicContact OE1-NH1 3.46Å; E89-R125 PolarHBondContact OE1-NH1 3.16Å; E89-R125 IonicContact OE1-NH2 2.6Å; E89-R125 PolarHBondContact OE1-NH2 2.98Å; E89-R125 IonicContact OE2-CZ 3.8Å; E89-R125 IonicContact OE2-NH1 2.99Å; E89-R125 PolarHBondContact OE2-NH1 2.9Å; E89-R125 IonicContact OE2-NH2 3.76Å; E89-R125 PolarHBondContact OE2-NH2 2.94Å; R121-R125 PolarHBondContact O-N 3.2Å; R121-R125 VanDerWaalsContact O-N 3.13Å; T122-R125 PolarHBondContact O-N 3.01Å; T122-R125 VanDerWaalsContact O-N 3.13Å; K123-R125 VanDerWaalsContact C-N 3.34Å; K123-R125 PolarHBondContact O-N 3.43Å; R125-N127 VanDerWaalsContact C-N 3.29Å; R125-N127 PolarHBondContact O-N 3.16Å; R125-N128 CarbonylContact O-C 3.38Å; R125-N128 PolarHBondContact O-N 3.25Å; R125-N128 VanDerWaalsContact O-N 3.1Å; R125-N128 VanDerWaalsContact O-O 3.12Å; R125-S131 PolarHBondContact O-OG 3.48Å; R125-L132 WeakPolarHBondContact O-CG 3.28Å
126Y91.9Very high81.2Confident7 Ų776.1 Ų76.13%0.02737%0.373CS..Hα-helixtrans-72.1-19.7-178.4-84.5-104.6000114.9I4 Y78 L82 C85 F86 E89 T122 K123 L132 M136I4-Y126 HydrophobicContact CD1-CG 4.44Å; Y78-Y126 PolarHBondContact OH-O 3.28Å; L82-Y126 WeakPolarHBondContact O-CE1 3.4Å; C85-Y126 HydrophobicContact CB-CE1 3.91Å; C85-Y126 PolarHBondContact O-OH 2.98Å; F86-Y126 HydrophobicContact CB-CD1 3.67Å; F86-Y126 HydrophobicContact CB-CE1 3.65Å; F86-Y126 HydrophobicContact CB-CG 4.12Å; F86-Y126 HydrophobicContact CD2-CD1 4.32Å; F86-Y126 AromaticContact CD2-CD2 3.92Å; F86-Y126 HydrophobicContact CD2-CD2 3.92Å; F86-Y126 HydrophobicContact CD2-CE2 4.32Å; F86-Y126 AromaticContact CD2-CG 3.88Å; F86-Y126 HydrophobicContact CD2-CG 3.88Å; F86-Y126 HydrophobicContact CG-CD1 4.48Å; F86-Y126 HydrophobicContact CG-CG 4.48Å; E89-Y126 VanDerWaalsContact OE2-CE2 3.23Å; E89-Y126 WeakPolarHBondContact OE2-CE2 3.21Å; E89-Y126 PolarHBondContact OE2-OH 3.44Å; T122-Y126 HydrophobicContact CG2-CD2 3.81Å; T122-Y126 HydrophobicContact CG2-CE2 3.72Å; T122-Y126 VanDerWaalsContact O-CD2 3.26Å; T122-Y126 WeakPolarHBondContact O-CD2 3.31Å; T122-Y126 PolarHBondContact O-N 3.06Å; K123-Y126 PolarHBondContact O-N 3.26Å; Y126-L132 HydrophobicContact CD1-CD2 3.96Å; Y126-L132 HydrophobicContact CD2-CD2 4.27Å; Y126-L132 HydrophobicContact CE1-CD2 4.21Å; Y126-L132 HydrophobicContact CG-CD2 4.03Å; Y126-M136 HydrophobicContact CE1-CE 3.48Å; Y126-M136 VanDerWaalsContact CE1-CE 3.48Å; Y126-M136 HydrophobicContact CE1-SD 3.9Å; Y126-M136 HydrophobicContact CE2-SD 4.47Å; Y126-M136 WeakPolarHBondContact OH-CE 3.36Å
127N91.7Very high79.8Confident51 Ų5180.3 Ų80.327%0.27340%0.396SS..Hα-helixtrans-85.8-16.8170.7-74.4-14.4000112.8M3 I4 K123 Q124 R125M3-N127 WeakPolarHBondContact CA-OD1 3.31Å; I4-N127 WeakPolarHBondContact CB-OD1 3.35Å; I4-N127 PolarHBondContact N-OD1 3.24Å; I4-N127 PolarHBondContact O-ND2 3.16Å; K123-N127 WeakPolarHBondContact O-CB 3.47Å; K123-N127 PolarHBondContact O-N 3.38Å; Q124-N127 PolarHBondContact O-N 3.01Å; R125-N127 VanDerWaalsContact C-N 3.29Å; R125-N127 PolarHBondContact O-N 3.16Å
128N86.9Confident79.1Confident97 Ų9779.1 Ų79.152%0.51939%0.389SS..  trans-103.993.2-179.4-73.2-39.8000111.1Q124 R125 R130 S131Q124-N128 WeakPolarHBondContact O-CB 3.5Å; Q124-N128 PolarHBondContact O-N 3.28Å; Q124-N128 PolarHBondContact O-ND2 3.33Å; R125-N128 CarbonylContact O-C 3.38Å; R125-N128 PolarHBondContact O-N 3.25Å; R125-N128 VanDerWaalsContact O-N 3.1Å; R125-N128 VanDerWaalsContact O-O 3.12Å; N128-R130 PolarHBondContact O-N 3.47Å; N128-R130 VanDerWaalsContact O-N 3.07Å; N128-S131 PolarHBondContact O-N 3.44Å; N128-S131 PolarHBondContact O-OG 2.89Å
129T67.4Low78.5Confident116 Ų11680 Ų8071%0.71240%0.404SS*.Hα-helixtrans-52.7-31.9-177.551.40000114.7S131 L132T129-S131 VanDerWaalsContact C-N 3.28Å; T129-S131 PolarHBondContact O-N 2.83Å; T129-L132 PolarHBondContact O-N 2.8Å
130R68.8Low77.9Confident234 Ų23484.7 Ų84.788%0.88343%0.429SS*.Hα-helixtrans-67.4-24.4176.7-67.8-175.1-174.51791.8114.1N128N128-R130 PolarHBondContact O-N 3.47Å; N128-R130 VanDerWaalsContact O-N 3.07Å
131S62.9Low77.5Confident52 Ų5282.7 Ų82.736%0.36442%0.42SS..Hα-helixtrans-92.8-10-176.968.70000114R125 N128 T129R125-S131 PolarHBondContact O-OG 3.48Å; N128-S131 PolarHBondContact O-N 3.44Å; N128-S131 PolarHBondContact O-OG 2.89Å; T129-S131 VanDerWaalsContact C-N 3.28Å; T129-S131 PolarHBondContact O-N 2.83Å
132L63Low77.2Confident17 Ų1778.3 Ų78.39%0.08941%0.407CS..Hα-helixtrans-87.3-23.3-175.6-79.9155.6000113.6R125 Y126 T129 T134 M136R125-L132 WeakPolarHBondContact O-CG 3.28Å; Y126-L132 HydrophobicContact CD1-CD2 3.96Å; Y126-L132 HydrophobicContact CD2-CD2 4.27Å; Y126-L132 HydrophobicContact CE1-CD2 4.21Å; Y126-L132 HydrophobicContact CG-CD2 4.03Å; T129-L132 PolarHBondContact O-N 2.8Å; L132-T134 PolarHBondContact O-N 2.83Å; L132-T134 VanDerWaalsContact O-N 3.14Å; L132-M136 HydrophobicContact CD2-CE 4.48Å; L132-M136 HydrophobicContact CD2-SD 3.18Å; L132-M136 WeakPolarHBondContact CD2-SD 3.38Å; L132-M136 HydrophobicContact CG-SD 4.5Å
133S54.2Low76.8Confident99 Ų9981.8 Ų81.869%0.69243%0.428SS*.THydrogen-bonded Turntrans-67.4-14.5-170.655.50000115
134T50.5Low76.5Confident115 Ų11584.3 Ų84.371%0.70644%0.44SS*.THydrogen-bonded Turntrans-102.3-8.6-167-33.10000114.6L132L132-T134 PolarHBondContact O-N 2.83Å; L132-T134 VanDerWaalsContact O-N 3.14Å
135K57.5Low76.3Confident187 Ų18780 Ų8081%0.81342%0.421SS*.THydrogen-bonded Turntrans-143.82.9-166.7-68.3-168.1177.3-174.90118.1
136M65.3Low76.1Confident35 Ų3584.3 Ų84.317%0.17244%0.441CS..  trans-114.6128.7-169.7-67.5-174.264.600114.2L82 C85 Y126 L132 L138L82-M136 HydrophobicContact CD2-CE 4.48Å; C85-M136 HydrophobicContact CB-CE 3.21Å; C85-M136 VanDerWaalsContact SG-CE 3.58Å; Y126-M136 HydrophobicContact CE1-CE 3.48Å; Y126-M136 VanDerWaalsContact CE1-CE 3.48Å; Y126-M136 HydrophobicContact CE1-SD 3.9Å; Y126-M136 HydrophobicContact CE2-SD 4.47Å; Y126-M136 WeakPolarHBondContact OH-CE 3.36Å; L132-M136 HydrophobicContact CD2-CE 4.48Å; L132-M136 HydrophobicContact CD2-SD 3.18Å; L132-M136 WeakPolarHBondContact CD2-SD 3.38Å; L132-M136 HydrophobicContact CG-SD 4.5Å; M136-L138 VanDerWaalsContact C-N 3.27Å; M136-L138 HydrophobicContact CB-CD1 4.35Å; M136-L138 HydrophobicContact CB-CG 4.15Å; M136-L138 PolarHBondContact O-N 2.9Å
137N67.1Low75.9Confident100 Ų10090.8 Ų90.854%0.53548%0.476SS..  trans-81.375.4171.1-163.1-20.3000110.4A139 D140N137-A139 VanDerWaalsContact C-N 3.29Å; N137-A139 PolarHBondContact O-N 3.02Å; N137-D140 PolarHBondContact ND2-OD2 2.86Å; N137-D140 VanDerWaalsContact OD1-CG 3.29Å; N137-D140 PolarHBondContact OD1-N 2.98Å; N137-D140 PolarHBondContact OD1-OD2 2.97Å
138L81.1Confident75.7Confident72 Ų7294.5 Ų94.538%0.37749%0.486SS..Hα-helixtrans-67.8-29.6-178.1-71.8142.1000112.5V81 L82 M136 Q142V81-L138 HydrophobicContact CG1-CD2 4.19Å; L82-L138 HydrophobicContact CD2-CD2 3.65Å; M136-L138 VanDerWaalsContact C-N 3.27Å; M136-L138 HydrophobicContact CB-CD1 4.35Å; M136-L138 HydrophobicContact CB-CG 4.15Å; M136-L138 PolarHBondContact O-N 2.9Å; L138-Q142 VanDerWaalsContact O-CB 3.24Å; L138-Q142 WeakPolarHBondContact O-CB 3.31Å; L138-Q142 PolarHBondContact O-N 3.17Å
139A82.4Confident75.9Confident59 Ų5994 Ų9449%0.48849%0.488SS..Hα-helixtrans-67-43.4-176.200000111.7N137 Q142 T143N137-A139 VanDerWaalsContact C-N 3.29Å; N137-A139 PolarHBondContact O-N 3.02Å; A139-Q142 PolarHBondContact O-N 3.01Å; A139-T143 PolarHBondContact O-N 3.41Å; A139-T143 PolarHBondContact O-OG1 2.77Å
140D84.5Confident77.1Confident99 Ų9989.2 Ų89.253%0.52946%0.459SS..Hα-helixtrans-63.6-49.4177.8-69-7.1000110.7N137 Q142 T143 E144N137-D140 PolarHBondContact ND2-OD2 2.86Å; N137-D140 VanDerWaalsContact OD1-CG 3.29Å; N137-D140 PolarHBondContact OD1-N 2.98Å; N137-D140 PolarHBondContact OD1-OD2 2.97Å; D140-Q142 VanDerWaalsContact C-N 3.31Å; D140-Q142 PolarHBondContact O-N 2.84Å; D140-T143 WeakPolarHBondContact O-CB 3.32Å; D140-T143 PolarHBondContact O-N 2.83Å; D140-T143 VanDerWaalsContact O-N 3.11Å; D140-E144 WeakPolarHBondContact O-CB 3.49Å; D140-E144 PolarHBondContact O-N 3.05Å
141M86.9Confident78.2Confident13 Ų1382.7 Ų82.76%0.06444%0.435CS..Hα-helixtrans-61.9-39178.3-170.760.654.900112.2V81 F84 C85 D88 T143 E144 I145V81-M141 HydrophobicContact CG1-CB 4.02Å; V81-M141 HydrophobicContact CG1-CG 3.96Å; F84-M141 HydrophobicContact CB-SD 3.96Å; C85-M141 VanDerWaalsContact SG-CB 3.59Å; C85-M141 VanDerWaalsContact SG-CG 3.51Å; D88-M141 HydrophobicContact CB-CE 4.31Å; D88-M141 VanDerWaalsContact OD2-CE 3.23Å; D88-M141 WeakPolarHBondContact OD2-CE 3.41Å; M141-T143 VanDerWaalsContact C-N 3.32Å; M141-T143 PolarHBondContact O-N 3.02Å; M141-E144 PolarHBondContact O-N 3.41Å; M141-I145 HydrophobicContact CG-CD1 3.94Å; M141-I145 HydrophobicContact CG-CG1 4.49Å; M141-I145 WeakPolarHBondContact O-CB 3.41Å; M141-I145 WeakPolarHBondContact O-CG1 3.29Å; M141-I145 PolarHBondContact O-N 3.37Å; M141-I145 HydrophobicContact SD-CD1 4.35Å; M141-I145 HydrophobicContact SD-CG1 4.43Å
142Q86.8Confident79.7Confident92 Ų9284.5 Ų84.543%0.4344%0.438SS..Hα-helixtrans-64.5-38.8176.4-176.3173.3-300111.7V81 L138 A139 D140 K146V81-Q142 HydrophobicContact CG1-CB 4.41Å; V81-Q142 HydrophobicContact CG2-CB 4.26Å; V81-Q142 HydrophobicContact CG2-CG 4.39Å; L138-Q142 VanDerWaalsContact O-CB 3.24Å; L138-Q142 WeakPolarHBondContact O-CB 3.31Å; L138-Q142 PolarHBondContact O-N 3.17Å; A139-Q142 PolarHBondContact O-N 3.01Å; D140-Q142 VanDerWaalsContact C-N 3.31Å; D140-Q142 PolarHBondContact O-N 2.84Å; Q142-K146 VanDerWaalsContact O-CG 3.29Å; Q142-K146 WeakPolarHBondContact O-CG 3.47Å; Q142-K146 PolarHBondContact O-N 2.72Å
143T87.6Confident81Confident75 Ų7584.3 Ų84.346%0.4644%0.436SS..Hα-helixtrans-67.2-44.3175.5-55.60000110.5A139 D140 M141 I145 K146 L147A139-T143 PolarHBondContact O-N 3.41Å; A139-T143 PolarHBondContact O-OG1 2.77Å; D140-T143 WeakPolarHBondContact O-CB 3.32Å; D140-T143 PolarHBondContact O-N 2.83Å; D140-T143 VanDerWaalsContact O-N 3.11Å; M141-T143 VanDerWaalsContact C-N 3.32Å; M141-T143 PolarHBondContact O-N 3.02Å; T143-I145 PolarHBondContact O-N 3.02Å; T143-K146 WeakPolarHBondContact O-CB 3.18Å; T143-K146 PolarHBondContact O-N 2.8Å; T143-L147 HydrophobicContact CG2-CD1 4.03Å; T143-L147 HydrophobicContact CG2-CG 4.5Å; T143-L147 WeakPolarHBondContact O-CG 3.26Å; T143-L147 PolarHBondContact O-N 2.6Å
144E86.2Confident82.5Confident75 Ų7581.4 Ų81.435%0.3542%0.416SS..Hα-helixtrans-62.9-42.7179.1-164.4-172.1159.500112.5R50 D140 M141 K146 L147 R148R50-E144 IonicContact CZ-OE1 3.36Å; R50-E144 IonicContact NH1-OE1 2.92Å; R50-E144 VanDerWaalsContact NH2-CD 3.31Å; R50-E144 IonicContact NH2-OE1 2.92Å; R50-E144 PolarHBondContact NH2-OE1 3.26Å; R50-E144 IonicContact NH2-OE2 3.32Å; D140-E144 WeakPolarHBondContact O-CB 3.49Å; D140-E144 PolarHBondContact O-N 3.05Å; M141-E144 PolarHBondContact O-N 3.41Å; E144-K146 VanDerWaalsContact C-N 3.31Å; E144-K146 PolarHBondContact O-N 2.84Å; E144-L147 PolarHBondContact O-N 3.02Å; E144-R148 PolarHBondContact O-N 2.93Å
145I87.1Confident83.8Confident23 Ų2380.3 Ų80.312%0.11840%0.404CS..Hα-helixtrans-65.6-35.1176.3-70.8167.2000111.4V81 F84 M141 T143 R148 P149V81-I145 HydrophobicContact CB-CD1 4.28Å; V81-I145 HydrophobicContact CG2-CD1 4.05Å; F84-I145 HydrophobicContact CB-CD1 4.12Å; F84-I145 HydrophobicContact CD2-CD1 3.78Å; F84-I145 HydrophobicContact CD2-CG1 4.24Å; F84-I145 HydrophobicContact CG-CD1 4.33Å; M141-I145 HydrophobicContact CG-CD1 3.94Å; M141-I145 HydrophobicContact CG-CG1 4.49Å; M141-I145 WeakPolarHBondContact O-CB 3.41Å; M141-I145 WeakPolarHBondContact O-CG1 3.29Å; M141-I145 PolarHBondContact O-N 3.37Å; M141-I145 HydrophobicContact SD-CD1 4.35Å; M141-I145 HydrophobicContact SD-CG1 4.43Å; T143-I145 PolarHBondContact O-N 3.02Å; I145-R148 CarbonylContact O-C 3.57Å; I145-P149 VanDerWaalsContact O-CA 3.22Å; I145-P149 WeakPolarHBondContact O-CA 3.31Å; I145-P149 VanDerWaalsContact O-N 3.11Å
146K87.5Confident84.4Confident152 Ų15275.2 Ų75.266%0.66139%0.392SS*.Hα-helixtrans-66.4-40.9174.7-76173.4179.7-179.80111.8Q142 T143 E144Q142-K146 VanDerWaalsContact O-CG 3.29Å; Q142-K146 WeakPolarHBondContact O-CG 3.47Å; Q142-K146 PolarHBondContact O-N 2.72Å; T143-K146 WeakPolarHBondContact O-CB 3.18Å; T143-K146 PolarHBondContact O-N 2.8Å; E144-K146 VanDerWaalsContact C-N 3.31Å; E144-K146 PolarHBondContact O-N 2.84Å
147L88.5Confident84.6Confident144 Ų14476.9 Ų76.975%0.75440%0.399SS*.Hα-helixtrans-75.1-38.5179.9-67.2173.4000112.3T143 E144T143-L147 HydrophobicContact CG2-CD1 4.03Å; T143-L147 HydrophobicContact CG2-CG 4.5Å; T143-L147 WeakPolarHBondContact O-CG 3.26Å; T143-L147 PolarHBondContact O-N 2.6Å; E144-L147 PolarHBondContact O-N 3.02Å
148R87.7Confident84.7Confident128 Ų12872.4 Ų72.448%0.48338%0.375SS..SBendtrans-132.381.8-179.5-171.3-170.9178.199-1.6109.7D49 R50 E144 I145D49-R148 IonicContact OD1-CZ 3.48Å; D49-R148 IonicContact OD1-NE 3.52Å; D49-R148 IonicContact OD1-NH2 2.65Å; D49-R148 PolarHBondContact OD1-NH2 2.95Å; D49-R148 IonicContact OD2-CZ 3.6Å; D49-R148 IonicContact OD2-NE 3.79Å; D49-R148 IonicContact OD2-NH2 3.05Å; D49-R148 PolarHBondContact OD2-NH2 3.48Å; R50-R148 PolarHBondContact NH1-O 3.06Å; R50-R148 VanDerWaalsContact NH1-O 3.11Å; E144-R148 PolarHBondContact O-N 2.93Å; I145-R148 CarbonylContact O-C 3.57Å
149P90.3Very high83.5Confident88 Ų8871.6 Ų71.657%0.57139%0.385SS*.PPolyproline II helixtrans-64.7151.617826.8-34.4000111.1I145 Y151I145-P149 VanDerWaalsContact O-CA 3.22Å; I145-P149 WeakPolarHBondContact O-CA 3.31Å; I145-P149 VanDerWaalsContact O-N 3.11Å; P149-Y151 PolarHBondContact O-N 3Å
150P92.6Very high81.8Confident15 Ų1573.3 Ų73.310%0.09739%0.393CS..PPolyproline II helixtrans-65135.9176.828.7-36.4000111.2R50 T52 F84 Q152R50-P150 HydrophobicContact CG-CB 3.91Å; T52-P150 WeakPolarHBondContact OG1-CB 3.42Å; F84-P150 HydrophobicContact CE1-CB 4.46Å; F84-P150 HydrophobicContact CE2-CB 3.89Å; F84-P150 HydrophobicContact CE2-CG 3.8Å; F84-P150 HydrophobicContact CZ-CB 3.51Å; F84-P150 HydrophobicContact CZ-CG 3.95Å; P150-Q152 PolarHBondContact O-N 3.43Å
151Y92.9Very high79.8Confident96 Ų9671.5 Ų71.538%0.37639%0.392SS..EExtended strand (participates in β ladder)trans-62.6126.7173.6178.2-96.1000110.1P48 R50 C51 T52 P149 I153 E157P48-Y151 HydrophobicContact CG-CD1 4.16Å; P48-Y151 HydrophobicContact CG-CD2 4.25Å; P48-Y151 HydrophobicContact CG-CG 3.83Å; R50-Y151 PolarHBondContact O-N 3.08Å; C51-Y151 CarbonylContact C-O 3.35Å; C51-Y151 WeakPolarHBondContact CA-O 3.46Å; T52-Y151 PolarHBondContact N-O 3.33Å; P149-Y151 PolarHBondContact O-N 3Å; Y151-I153 HydrophobicContact CD1-CG1 3.93Å; Y151-I153 HydrophobicContact CE1-CG1 4.1Å; Y151-E157 WeakPolarHBondContact CE1-OE2 3.45Å; Y151-E157 PolarHBondContact OH-OE1 3.19Å; Y151-E157 PolarHBondContact OH-OE2 3.27Å
152Q93.3Very high77.5Confident91 Ų9179.4 Ų79.443%0.42543%0.434SS..EExtended strand (participates in β ladder)trans-86.9113.7-179.3-63.2-65.3-44.800109.2T52 P150T52-Q152 WeakPolarHBondContact O-CA 3.42Å; P150-Q152 PolarHBondContact O-N 3.43Å
153I91.2Very high75.3Confident12 Ų1278.2 Ų78.26%0.06245%0.447CS..EExtended strand (participates in β ladder)trans-81.1127.3179.8-58.5171.2000108.7L40 L47 C51 T52 L53 F62 Y151 E157L40-I153 HydrophobicContact CD2-CD1 3.63Å; L40-I153 HydrophobicContact CD2-CG2 4.44Å; L47-I153 HydrophobicContact CD1-CD1 3.88Å; L47-I153 HydrophobicContact CD2-CD1 4.25Å; L47-I153 HydrophobicContact CD2-CG1 4.3Å; C51-I153 HydrophobicContact CB-CD1 3.7Å; C51-I153 HydrophobicContact CB-CG1 4.07Å; T52-I153 PolarHBondContact O-N 3.41Å; L53-I153 HydrophobicContact CB-CB 4.23Å; L53-I153 HydrophobicContact CD1-CB 4.11Å; L53-I153 HydrophobicContact CD1-CG2 4.15Å; L53-I153 VanDerWaalsContact CD1-O 3.26Å; L53-I153 WeakPolarHBondContact CD1-O 3.29Å; F62-I153 HydrophobicContact CE1-CD1 3.49Å; F62-I153 VanDerWaalsContact CE1-CD1 3.49Å; F62-I153 HydrophobicContact CZ-CD1 3.84Å; Y151-I153 HydrophobicContact CD1-CG1 3.93Å; Y151-I153 HydrophobicContact CE1-CG1 4.1Å; I153-E157 HydrophobicContact CG2-CB 4.38Å
154S85.8Confident72.7Confident38 Ų3883.5 Ų83.527%0.26646%0.464SS..  trans-81.9149.9172.969.70000111.7S156 E157 L158S154-S156 PolarHBondContact O-N 2.85Å; S154-S156 PolarHBondContact OG-OG 3.46Å; S154-E157 WeakPolarHBondContact O-CB 3.34Å; S154-E157 PolarHBondContact O-N 3.17Å; S154-E157 VanDerWaalsContact O-N 3.16Å; S154-E157 VanDerWaalsContact OG-CG 3.3Å; S154-E157 WeakPolarHBondContact OG-CG 3.26Å; S154-E157 PolarHBondContact OG-N 2.97Å; S154-E157 PolarHBondContact OG-OE1 3.45Å; S154-L158 PolarHBondContact O-N 2.9Å
155M77.9Confident70.1Confident92 Ų9284.7 Ų84.745%0.45349%0.487SS..Hα-helixtrans-61.7-29.1176.2-73.8-65.8-76.900112.6Y36 L53 L158 G159Y36-M155 HydrophobicContact CD1-CE 4.43Å; Y36-M155 HydrophobicContact CE1-CE 3.52Å; Y36-M155 HydrophobicContact CE1-SD 4.32Å; Y36-M155 HydrophobicContact CE2-CE 4.41Å; Y36-M155 VanDerWaalsContact OH-CE 3.31Å; Y36-M155 WeakPolarHBondContact OH-CE 3.24Å; L53-M155 HydrophobicContact CD1-SD 4.11Å; M155-L158 WeakPolarHBondContact O-CB 3.44Å; M155-L158 PolarHBondContact O-N 2.95Å; M155-G159 PolarHBondContact O-N 2.66Å
156S70.1Confident67.6Low80 Ų8091.1 Ų91.156%0.55952%0.516SS*.Hα-helixtrans-66.4-37.4174.738.70000113.3S154 L158 G159 S160S154-S156 PolarHBondContact O-N 2.85Å; S154-S156 PolarHBondContact OG-OG 3.46Å; S156-L158 PolarHBondContact O-N 3.27Å; S156-G159 PolarHBondContact O-N 2.76Å; S156-S160 WeakPolarHBondContact O-CB 3.43Å; S156-S160 PolarHBondContact O-N 2.72Å; S156-S160 PolarHBondContact O-OG 3.05Å; S156-S160 VanDerWaalsContact O-OG 3.06Å
157E70.1Confident65Low70 Ų7091.9 Ų91.933%0.32753%0.526SS..Hα-helixtrans-66.2-29.3173.6-79.4159.1-121.800111.7K43 Y151 I153 S154K43-E157 PolarHBondContact NZ-O 3.46Å; Y151-E157 WeakPolarHBondContact CE1-OE2 3.45Å; Y151-E157 PolarHBondContact OH-OE1 3.19Å; Y151-E157 PolarHBondContact OH-OE2 3.27Å; I153-E157 HydrophobicContact CG2-CB 4.38Å; S154-E157 WeakPolarHBondContact O-CB 3.34Å; S154-E157 PolarHBondContact O-N 3.17Å; S154-E157 VanDerWaalsContact O-N 3.16Å; S154-E157 VanDerWaalsContact OG-CG 3.3Å; S154-E157 WeakPolarHBondContact OG-CG 3.26Å; S154-E157 PolarHBondContact OG-N 2.97Å; S154-E157 PolarHBondContact OG-OE1 3.45Å
158L68.4Low62.2Low6 Ų688 Ų883%0.03151%0.512CS..Hα-helixtrans-74-36.9176.4-159.361.3000111.9Y36 M39 L40 K43 L53 S154 M155 S156Y36-L158 HydrophobicContact CD1-CD2 3.44Å; Y36-L158 VanDerWaalsContact CD1-CD2 3.44Å; Y36-L158 HydrophobicContact CE1-CD2 4.21Å; Y36-L158 HydrophobicContact CG-CD2 4.13Å; M39-L158 HydrophobicContact CB-CD1 3.62Å; M39-L158 HydrophobicContact CB-CD2 4.21Å; M39-L158 HydrophobicContact CB-CG 3.84Å; M39-L158 HydrophobicContact CE-CD2 4.39Å; M39-L158 HydrophobicContact CE-CG 3.79Å; M39-L158 WeakPolarHBondContact CE-O 3.45Å; M39-L158 HydrophobicContact SD-CD2 4.23Å; M39-L158 HydrophobicContact SD-CG 4.19Å; L40-L158 HydrophobicContact CD2-CD1 3.69Å; L40-L158 HydrophobicContact CG-CD1 3.8Å; K43-L158 WeakPolarHBondContact CE-O 3.42Å; K43-L158 PolarHBondContact NZ-O 2.89Å; L53-L158 HydrophobicContact CD2-CD2 3.96Å; S154-L158 PolarHBondContact O-N 2.9Å; M155-L158 WeakPolarHBondContact O-CB 3.44Å; M155-L158 PolarHBondContact O-N 2.95Å; S156-L158 PolarHBondContact O-N 3.27Å
159G56.5Low59.8Low56 Ų5686.8 Ų86.858%0.57753%0.529SS*.Hα-helixtrans-82.2-26-179.300000115.9M155 S156 A161M155-G159 PolarHBondContact O-N 2.66Å; S156-G159 PolarHBondContact O-N 2.76Å; G159-A161 PolarHBondContact O-N 3.22Å
160S46.3Very low56.9Low94 Ų9488.8 Ų88.866%0.65754%0.54SS*.  trans-87.177.3-178.4-58.10000111.1K43 S156K43-S160 VanDerWaalsContact NZ-C 3.32Å; K43-S160 PolarHBondContact NZ-O 2.99Å; S156-S160 WeakPolarHBondContact O-CB 3.43Å; S156-S160 PolarHBondContact O-N 2.72Å; S156-S160 PolarHBondContact O-OG 3.05Å; S156-S160 VanDerWaalsContact O-OG 3.06Å
161A41.7Very low54.1Low61 Ų6195.4 Ų95.450%0.50457%0.574SS.*SBendtrans-133.2102.4152.900000105.4G159 G163G159-A161 PolarHBondContact O-N 3.22Å; A161-G163 PolarHBondContact O-N 3.01Å
162N39.6Very low51Low179 Ų179101.9 Ų101.996%0.95760%0.6SS**SBendtrans-40111179.5-69.7-24.6000110.8
163G39.8Very low48Very low68 Ų68107.1 Ų107.170%0.70162%0.621SS**SBendtrans1443.4175.500000118.6A161A161-G163 PolarHBondContact O-N 3.01Å
164F33.5Very low45Very low185 Ų185110 Ų11081%0.81165%0.653SS**  trans-131.779.3168.9-96.2-89.6000110.8H166F164-H166 PolarHBondContact O-N 2.83Å
165A32.3Very low42.5Very low101 Ų101115.2 Ų115.284%0.83568%0.684SS**  trans-71.4124.7165.500000109.7
166H32.8Very low40.2Very low158 Ų158114.2 Ų114.273%0.73170%0.697SS**  trans65.282.9148.2-146.8-98.8000117.5F164 S168F164-H166 PolarHBondContact O-N 2.83Å; H166-S168 PolarHBondContact CD2-OG 3.15Å; H166-S168 PolarHBondContact CE1-OG 3.45Å; H166-S168 PolarHBondContact ND1-OG 3.11Å; H166-S168 PolarHBondContact NE2-OG 2.88Å
167L33.4Very low38.4Very low167 Ų167120 Ų12087%0.87471%0.712SS**  trans-113.176.4147.1-100.2141.1000107.7
168S30.5Very low36.6Very low64 Ų64124.3 Ų124.345%0.44874%0.736SS.*  trans-57.6137.3165.1-63.70000109.5H166 T170H166-S168 PolarHBondContact CD2-OG 3.15Å; H166-S168 PolarHBondContact CE1-OG 3.45Å; H166-S168 PolarHBondContact ND1-OG 3.11Å; H166-S168 PolarHBondContact NE2-OG 2.88Å; S168-T170 PolarHBondContact O-N 3.39Å
169A36.1Very low35.3Very low102 Ų102129.9 Ų129.984%0.84378%0.775SS**  trans-51.6123.5174.600000110.4
170T30.2Very low34Very low130 Ų130131.3 Ų131.380%0.79878%0.782SS**  trans-126.7116.7153.920.40000107S168S168-T170 PolarHBondContact O-N 3.39Å
171D33.3Very low33.3Very low154 Ų154130.7 Ų130.782%0.82478%0.782SS**  trans-41.9132.3167.1-71.7-52.2000111.6
172Y27.8Very low33.1Very low231 Ų231133.8 Ų133.891%0.90680%0.797SS**  trans-144.5121.1145-98.5-78.1000110.7
173K31.6Very low33Very low202 Ų202135.8 Ų135.888%0.87879%0.791SS**  trans-46.3147.3172.1-78.7170.8169.6173.40112.3
174G28.2Very low33.4Very low71 Ų71137 Ų13773%0.73278%0.779SS**  trans-62.4155.5-176.900000115.4
175T32.9Very low34.3Very low149 Ų149137.5 Ų137.591%0.91478%0.775SS**  trans-157.5128.2136.217.40000106.5
176G29.9Very low35.6Very low71 Ų71133.6 Ų133.673%0.73274%0.74SS**  trans-77.6166.1-172.700000114.1
177K32.1Very low37Very low201 Ų201130.3 Ų130.387%0.87473%0.725SS**  trans79111164.7-56.2-176.6177.7-179.80115.9
178I31Very low38.4Very low160 Ų160127.4 Ų127.482%0.82172%0.716SS**  -175.6135.995.3-80.8151000107.9A180I178-A180 PolarHBondContact O-N 3.31Å
179S41.6Very low40.3Very low123 Ų123127.6 Ų127.686%0.8672%0.715SS**  trans-52.8124.6169.1-51.80000111.2
180A29.3Very low42.2Very low87 Ų87126.3 Ų126.372%0.71970%0.697SS**  trans-143.3131.1165.300000110.1I178I178-A180 PolarHBondContact O-N 3.31Å
181A31.5Very low44.5Very low80 Ų80126.9 Ų126.966%0.66169%0.694SS**  trans-23.6158.8171.900000117R183A181-R183 PolarHBondContact O-N 2.91Å
182P37.3Very low46.8Very low126 Ų126122.3 Ų122.382%0.81867%0.672SS**  trans-51.3109.1175.222.7-33.5000109.2Q184P182-Q184 VanDerWaalsContact C-N 3.33Å; P182-Q184 PolarHBondContact O-N 3.37Å
183R38.6Very low49.5Very low221 Ų221111.3 Ų111.383%0.83463%0.629SS**  trans-61.2101.3174.7-75.7-176.5179.1173.30.2106.2A181 R185A181-R183 PolarHBondContact O-N 2.91Å; R183-R185 PolarHBondContact O-N 3.25Å
184Q47.8Very low52.1Low95 Ų95105.7 Ų105.744%0.44461%0.608SS.*  trans-54.2106.7167.5-78176.7-28.600106.4P182 Y249P182-Q184 VanDerWaalsContact C-N 3.33Å; P182-Q184 PolarHBondContact O-N 3.37Å; Q184-Y249 HydrophobicContact CB-CD1 4.38Å; Q184-Y249 HydrophobicContact CB-CE1 4.49Å; Q184-Y249 HydrophobicContact CB-CG 4.39Å; Q184-Y249 PolarHBondContact OE1-OH 2.96Å
185R53.2Low55Low195 Ų195106 Ų10674%0.73660%0.596SS**PPolyproline II helixtrans-73.8136.9177.7-79.8-174.5166.2-160.8-5.4107.3R183 Q300R183-R185 PolarHBondContact O-N 3.25Å; R185-Q300 WeakPolarHBondContact O-CB 3.49Å; R185-Q300 PolarHBondContact O-N 3.48Å
186L57.8Low57.7Low19 Ų1999 Ų9910%0.09955%0.553CS.*BIsolated β-bridgetrans-74.2151169.5-62.9177.7000108.6F246 Y249 R297 P299L186-F246 WeakPolarHBondContact CD1-O 3.49Å; L186-Y249 HydrophobicContact CD2-CD2 4.1Å; L186-R297 HydrophobicContact CB-CG 4.4Å; L186-P299 HydrophobicContact CD2-CB 4.31Å
187E62.3Low60.5Low88 Ų8899 Ų9941%0.41153%0.533SS..PPolyproline II helixtrans-53.1151.1176-73.9-174.6158.800112.2V189 R297E187-V189 PolarHBondContact O-N 3.37Å; E187-R297 VanDerWaalsContact O-CZ 3.27Å; E187-R297 PolarHBondContact O-NE 3.44Å; E187-R297 PolarHBondContact O-NH2 3.28Å
188P63.9Low63.3Low107 Ų10793.5 Ų93.570%0.69552%0.516SS*.PPolyproline II helixtrans-50.3139.9176.420.9-32.2000111T190P188-T190 PolarHBondContact O-N 2.96Å
189V69.3Low66.2Low68 Ų6888.4 Ų88.441%0.41249%0.49SS..PPolyproline II helixtrans-64.8124.1-174.6-176.30000109.1E187 I194 F246E187-V189 PolarHBondContact O-N 3.37Å; V189-I194 HydrophobicContact CB-CG1 4.46Å; V189-I194 HydrophobicContact CG1-CG1 3.55Å; V189-F246 HydrophobicContact CG1-CE1 3.88Å; V189-F246 HydrophobicContact CG1-CZ 3.86Å; V189-F246 HydrophobicContact CG2-CE1 4.4Å
190T77.2Confident68.6Low75 Ų7582.7 Ų82.746%0.4645%0.45SS..PPolyproline II helixtrans-78153.4174.558.50000110.2P188 G193 I194P188-T190 PolarHBondContact O-N 2.96Å; T190-G193 VanDerWaalsContact O-CA 3.3Å; T190-G193 WeakPolarHBondContact O-CA 3.21Å; T190-G193 PolarHBondContact O-N 2.99Å; T190-I194 PolarHBondContact O-N 3.49Å
191L78.6Confident71.6Confident141 Ų14182.7 Ų82.774%0.73844%0.437SS*.Hα-helixtrans-47.4-47.9174.3-69.4174.1000114G193 I194 V195L191-G193 PolarHBondContact O-N 3.33Å; L191-I194 HydrophobicContact CD2-CD1 4.49Å; L191-I194 PolarHBondContact O-N 2.98Å; L191-I194 VanDerWaalsContact O-N 3.14Å; L191-V195 WeakPolarHBondContact O-CG2 3.48Å; L191-V195 PolarHBondContact O-N 3.19Å; L191-V195 VanDerWaalsContact O-N 3.09Å
192P81.7Confident74.5Confident58 Ų5883 Ų8338%0.37743%0.427SS..Hα-helixtrans-63.4-28.6175.323.6-34.9000113.4S196 F289P192-S196 WeakPolarHBondContact O-CB 3.43Å; P192-S196 PolarHBondContact O-N 2.93Å; P192-F289 HydrophobicContact CB-CZ 4.14Å
193G83.5Confident77.1Confident0 Ų077 Ų770%039%0.389CS..Hα-helixtrans-67.4-39.517200000113.3T190 L191 S196 F197T190-G193 VanDerWaalsContact O-CA 3.3Å; T190-G193 WeakPolarHBondContact O-CA 3.21Å; T190-G193 PolarHBondContact O-N 2.99Å; L191-G193 PolarHBondContact O-N 3.33Å; G193-S196 PolarHBondContact O-N 3.21Å; G193-F197 WeakPolarHBondContact O-CB 3.43Å; G193-F197 PolarHBondContact O-N 3.45Å
194I85.3Confident79.6Confident85 Ų8566.7 Ų66.744%0.43635%0.351SS..Hα-helixtrans-63-46.1173.8-58178.4000110V189 T190 L191 S196 F197 V198V189-I194 HydrophobicContact CB-CG1 4.46Å; V189-I194 HydrophobicContact CG1-CG1 3.55Å; T190-I194 PolarHBondContact O-N 3.49Å; L191-I194 HydrophobicContact CD2-CD1 4.49Å; L191-I194 PolarHBondContact O-N 2.98Å; L191-I194 VanDerWaalsContact O-N 3.14Å; I194-S196 PolarHBondContact O-N 2.87Å; I194-F197 PolarHBondContact O-N 2.82Å; I194-V198 HydrophobicContact CG2-CG2 4.45Å; I194-V198 WeakPolarHBondContact O-CG2 3.47Å; I194-V198 PolarHBondContact O-N 3.17Å
195V89.5Confident81.7Confident78 Ų7864.3 Ų64.347%0.47335%0.348SS..Hα-helixtrans-60.6-46.6178.3173.70000111L191 F197 V198 L199L191-V195 WeakPolarHBondContact O-CG2 3.48Å; L191-V195 PolarHBondContact O-N 3.19Å; L191-V195 VanDerWaalsContact O-N 3.09Å; V195-F197 VanDerWaalsContact C-N 3.33Å; V195-F197 PolarHBondContact O-N 2.98Å; V195-V198 PolarHBondContact O-N 3.08Å; V195-L199 HydrophobicContact CG1-CD1 3.75Å; V195-L199 HydrophobicContact CG1-CG 4.34Å; V195-L199 WeakPolarHBondContact O-CB 3.48Å; V195-L199 VanDerWaalsContact O-CG 3.28Å; V195-L199 WeakPolarHBondContact O-CG 3.39Å; V195-L199 PolarHBondContact O-N 3.13Å
196S89.6Confident83.5Confident2 Ų258 Ų581%0.01433%0.328CS..Hα-helixtrans-57.1-44.6174.6160.70000112.4P192 G193 I194 L199 S200 S290P192-S196 WeakPolarHBondContact O-CB 3.43Å; P192-S196 PolarHBondContact O-N 2.93Å; G193-S196 PolarHBondContact O-N 3.21Å; I194-S196 PolarHBondContact O-N 2.87Å; S196-L199 PolarHBondContact O-N 3.42Å; S196-S200 WeakPolarHBondContact O-CB 3.16Å; S196-S200 PolarHBondContact O-N 3.3Å; S196-S290 WeakPolarHBondContact OG-CA 3.4Å; S196-S290 WeakPolarHBondContact OG-CB 3.36Å; S196-S290 PolarHBondContact OG-OG 3.48Å
197F88.7Confident85.1Confident70 Ų7057.1 Ų57.131%0.30732%0.324SS..Hα-helixtrans-63.1-46.1180-177.8-94.6000112.2G193 I194 V195 S200 L201 C243 F246 V247G193-F197 WeakPolarHBondContact O-CB 3.43Å; G193-F197 PolarHBondContact O-N 3.45Å; I194-F197 PolarHBondContact O-N 2.82Å; V195-F197 VanDerWaalsContact C-N 3.33Å; V195-F197 PolarHBondContact O-N 2.98Å; F197-S200 PolarHBondContact O-N 3.3Å; F197-L201 PolarHBondContact O-N 2.98Å; F197-C243 HydrophobicContact CD2-CB 4.02Å; F197-C243 HydrophobicContact CE2-CB 3.61Å; F197-C243 HydrophobicContact CZ-CB 4.45Å; F197-F246 HydrophobicContact CB-CD1 4.35Å; F197-F246 HydrophobicContact CB-CE1 4.35Å; F197-F246 AromaticContact CD2-CD1 3.94Å; F197-F246 HydrophobicContact CD2-CD1 3.94Å; F197-V247 HydrophobicContact CD2-CG2 4.33Å; F197-V247 HydrophobicContact CE2-CG2 3.76Å
198V92.4Very high86.5Confident86 Ų8656 Ų5652%0.52132%0.32SS..Hα-helixtrans-64-44.9178.11730000111.1I194 V195 S200 L201 L202I194-V198 HydrophobicContact CG2-CG2 4.45Å; I194-V198 WeakPolarHBondContact O-CG2 3.47Å; I194-V198 PolarHBondContact O-N 3.17Å; V195-V198 PolarHBondContact O-N 3.08Å; V198-S200 VanDerWaalsContact C-N 3.35Å; V198-S200 PolarHBondContact O-N 2.79Å; V198-L201 PolarHBondContact O-N 2.9Å; V198-L202 PolarHBondContact O-N 3.39Å
199L91.6Very high87.8Confident52 Ų5256.3 Ų56.327%0.27232%0.315SS..Hα-helixtrans-63.5-39.7177.8-71171.7000112.1V195 S196 L202 C203 F282 V286V195-L199 HydrophobicContact CG1-CD1 3.75Å; V195-L199 HydrophobicContact CG1-CG 4.34Å; V195-L199 WeakPolarHBondContact O-CB 3.48Å; V195-L199 VanDerWaalsContact O-CG 3.28Å; V195-L199 WeakPolarHBondContact O-CG 3.39Å; V195-L199 PolarHBondContact O-N 3.13Å; S196-L199 PolarHBondContact O-N 3.42Å; L199-L202 WeakPolarHBondContact O-CB 3.36Å; L199-L202 PolarHBondContact O-N 3.09Å; L199-C203 PolarHBondContact O-N 3.14Å; L199-F282 HydrophobicContact CD2-CE2 4.4Å; L199-F282 HydrophobicContact CD2-CZ 4.31Å; L199-V286 HydrophobicContact CB-CG1 3.81Å; L199-V286 HydrophobicContact CB-CG2 4.07Å; L199-V286 HydrophobicContact CD1-CG2 4.49Å
200S90.9Very high88.7Confident3 Ų356.6 Ų56.62%0.02131%0.308CS..Hα-helixtrans-64.6-39.5176.1-171.30000112S196 F197 V198 C203 G204 C239 C243S196-S200 WeakPolarHBondContact O-CB 3.16Å; S196-S200 PolarHBondContact O-N 3.3Å; F197-S200 PolarHBondContact O-N 3.3Å; V198-S200 VanDerWaalsContact C-N 3.35Å; V198-S200 PolarHBondContact O-N 2.79Å; S200-C203 PolarHBondContact O-N 3.46Å; S200-G204 PolarHBondContact O-N 2.87Å; S200-C239 PolarHBondContact OG-O 2.95Å; S200-C243 PolarHBondContact OG-SG 3.03Å
201L92.3Very high89.3Confident87 Ų8753 Ų5346%0.45529%0.287SS..Hα-helixtrans-64.7-42.2174.7-171.767.8000111.6F197 V198 G204 A205 L240F197-L201 PolarHBondContact O-N 2.98Å; V198-L201 PolarHBondContact O-N 2.9Å; L201-G204 PolarHBondContact O-N 3.23Å; L201-A205 PolarHBondContact O-N 3.31Å; L201-L240 HydrophobicContact CD1-CD2 4.14Å
202L93.6Very high89.8Confident86 Ų8652 Ų5245%0.4528%0.276SS..Hα-helixtrans-60.7-44.4174.9-177.465.7000111.4V198 L199 G204 A205 L206 F282V198-L202 PolarHBondContact O-N 3.39Å; L199-L202 WeakPolarHBondContact O-CB 3.36Å; L199-L202 PolarHBondContact O-N 3.09Å; L202-G204 VanDerWaalsContact C-N 3.32Å; L202-G204 PolarHBondContact O-N 2.89Å; L202-A205 PolarHBondContact O-N 3.06Å; L202-L206 HydrophobicContact CG-CD1 4.25Å; L202-L206 WeakPolarHBondContact O-CG 3.38Å; L202-L206 PolarHBondContact O-N 2.88Å; L202-F282 HydrophobicContact CD2-CZ 4.4Å
203C91.6Very high90Very high2 Ų255.4 Ų55.41%0.01429%0.287CS..Hα-helixtrans-58.8-42.1174.2-800000112.5L199 S200 N207 F282 H283L199-C203 PolarHBondContact O-N 3.14Å; S200-C203 PolarHBondContact O-N 3.46Å; C203-N207 WeakPolarHBondContact O-CB 3.47Å; C203-N207 VanDerWaalsContact O-CG 3.26Å; C203-N207 PolarHBondContact O-N 3.42Å; C203-N207 PolarHBondContact O-ND2 2.88Å; C203-F282 WeakPolarHBondContact SG-CE1 3.42Å; C203-H283 PolarHBondContact SG-ND1 3.3Å; C203-H283 VanDerWaalsContact SG-ND1 3.35Å
204G90.8Very high90.1Very high3 Ų356.1 Ų56.13%0.03129%0.293CS..Hα-helixtrans-61.6-45.1174.300000112.4S200 L201 L202 N207 L208 T236S200-G204 PolarHBondContact O-N 2.87Å; L201-G204 PolarHBondContact O-N 3.23Å; L202-G204 VanDerWaalsContact C-N 3.32Å; L202-G204 PolarHBondContact O-N 2.89Å; G204-N207 PolarHBondContact O-N 3.13Å; G204-L208 WeakPolarHBondContact O-CB 3.49Å; G204-L208 PolarHBondContact O-N 3.43Å; G204-T236 PolarHBondContact O-OG1 2.95Å
205A92.6Very high90.1Very high46 Ų4654.6 Ų54.638%0.3829%0.285SS..Hα-helixtrans-62.9-43.717800000112.4L201 L202 L208 I209L201-A205 PolarHBondContact O-N 3.31Å; L202-A205 PolarHBondContact O-N 3.06Å; A205-L208 WeakPolarHBondContact O-CB 3.28Å; A205-L208 PolarHBondContact O-N 3.48Å; A205-I209 VanDerWaalsContact O-CG1 3.3Å; A205-I209 WeakPolarHBondContact O-CG1 3.41Å; A205-I209 PolarHBondContact O-N 2.63Å
206L91.1Very high89.9Confident63 Ų6355.9 Ų55.933%0.3329%0.286SS..Hα-helixtrans-64.2-40.5177.4-68.7173.4000112.3L202 L208 R210 F282L202-L206 HydrophobicContact CG-CD1 4.25Å; L202-L206 WeakPolarHBondContact O-CG 3.38Å; L202-L206 PolarHBondContact O-N 2.88Å; L206-L208 VanDerWaalsContact C-N 3.32Å; L206-R210 PolarHBondContact O-N 2.64Å; L206-F282 HydrophobicContact CD1-CE1 4.42Å
207N90.9Very high89.4Confident0 Ų057.8 Ų57.80%030%0.299CS..Hα-helixtrans-63.2-40.6173.8-74-19.3000111.4C203 G204 R210 G211 T236 R275 H283C203-N207 WeakPolarHBondContact O-CB 3.47Å; C203-N207 VanDerWaalsContact O-CG 3.26Å; C203-N207 PolarHBondContact O-N 3.42Å; C203-N207 PolarHBondContact O-ND2 2.88Å; G204-N207 PolarHBondContact O-N 3.13Å; N207-R210 PolarHBondContact O-N 3.33Å; N207-G211 PolarHBondContact O-N 3.22Å; N207-T236 WeakPolarHBondContact CB-OG1 3.44Å; N207-R275 PolarHBondContact OD1-NH1 3.48Å; N207-R275 PolarHBondContact OD1-NH2 3.33Å; N207-H283 PolarHBondContact OD1-CE1 3.09Å; N207-H283 VanDerWaalsContact OD1-CE1 3.31Å
208L92Very high89Confident64 Ų6456.6 Ų56.634%0.33530%0.296SS..Hα-helixtrans-66.1-46.7179.5-17168000111.9G204 A205 L206 R210 G211 F212 F233 T236G204-L208 WeakPolarHBondContact O-CB 3.49Å; G204-L208 PolarHBondContact O-N 3.43Å; A205-L208 WeakPolarHBondContact O-CB 3.28Å; A205-L208 PolarHBondContact O-N 3.48Å; L206-L208 VanDerWaalsContact C-N 3.32Å; L208-R210 VanDerWaalsContact C-N 3.3Å; L208-R210 PolarHBondContact O-N 3.05Å; L208-G211 PolarHBondContact O-N 2.98Å; L208-F212 HydrophobicContact CD1-CD2 4.17Å; L208-F212 HydrophobicContact CD1-CE2 3.7Å; L208-F212 HydrophobicContact CD2-CE2 4.24Å; L208-F212 HydrophobicContact CG-CD2 3.94Å; L208-F212 HydrophobicContact CG-CE2 3.71Å; L208-F212 VanDerWaalsContact O-CD2 3.25Å; L208-F212 WeakPolarHBondContact O-CD2 3.2Å; L208-F212 PolarHBondContact O-N 3.18Å; L208-F233 HydrophobicContact CD1-CD1 4.13Å; L208-F233 HydrophobicContact CD1-CE1 3.6Å; L208-F233 HydrophobicContact CD1-CZ 4.3Å; L208-T236 HydrophobicContact CB-CG2 4.24Å; L208-T236 HydrophobicContact CD1-CG2 4.37Å; L208-T236 PolarHBondContact N-OG1 3.42Å
209I90.9Very high88.4Confident113 Ų11359.5 Ų59.558%0.57931%0.308SS*.Hα-helixtrans-57.1-45.9177.2-68.9164.1000110.4A205 F212 H213A205-I209 VanDerWaalsContact O-CG1 3.3Å; A205-I209 WeakPolarHBondContact O-CG1 3.41Å; A205-I209 PolarHBondContact O-N 2.63Å; I209-F212 PolarHBondContact O-N 3.35Å; I209-H213 PolarHBondContact O-N 3.3Å; I209-H213 VanDerWaalsContact O-N 3.09Å
210R88.5Confident87.7Confident75 Ų7564 Ų6428%0.28333%0.327SS..Hα-helixtrans-69.6-35177.7-71.9-172177.71571.5113.4L206 N207 L208 F212 H213 A214 F232 Q279L206-R210 PolarHBondContact O-N 2.64Å; N207-R210 PolarHBondContact O-N 3.33Å; L208-R210 VanDerWaalsContact C-N 3.3Å; L208-R210 PolarHBondContact O-N 3.05Å; R210-F212 VanDerWaalsContact C-N 3.33Å; R210-H213 PolarHBondContact O-N 2.87Å; R210-A214 WeakPolarHBondContact O-CB 3.3Å; R210-A214 PolarHBondContact O-N 3.07Å; R210-F232 HydrophobicContact CB-CD1 3.77Å; R210-F232 HydrophobicContact CB-CE1 3.45Å; R210-F232 VanDerWaalsContact CB-CE1 3.45Å; R210-F232 HydrophobicContact CB-CE2 4.34Å; R210-F232 HydrophobicContact CB-CG 4.35Å; R210-F232 HydrophobicContact CB-CZ 3.79Å; R210-F232 HydrophobicContact CG-CE1 4.31Å; R210-Q279 VanDerWaalsContact CZ-OE1 3.28Å
211G88.6Confident86.6Confident0 Ų069 Ų690%035%0.353CS..Hα-helixtrans-60.8-42.317300000112N207 L208 A214 I215N207-G211 PolarHBondContact O-N 3.22Å; L208-G211 PolarHBondContact O-N 2.98Å; G211-A214 PolarHBondContact O-N 3.09Å; G211-I215 WeakPolarHBondContact O-CG1 3.49Å; G211-I215 PolarHBondContact O-N 3.42Å
212F89.1Confident85.1Confident119 Ų11974.8 Ų74.852%0.52238%0.378SS..Hα-helixtrans-65.6-41174.8-83.8-68.9000112.7L208 I209 R210 A214 I215 E216L208-F212 HydrophobicContact CD1-CD2 4.17Å; L208-F212 HydrophobicContact CD1-CE2 3.7Å; L208-F212 HydrophobicContact CD2-CE2 4.24Å; L208-F212 HydrophobicContact CG-CD2 3.94Å; L208-F212 HydrophobicContact CG-CE2 3.71Å; L208-F212 VanDerWaalsContact O-CD2 3.25Å; L208-F212 WeakPolarHBondContact O-CD2 3.2Å; L208-F212 PolarHBondContact O-N 3.18Å; I209-F212 PolarHBondContact O-N 3.35Å; R210-F212 VanDerWaalsContact C-N 3.33Å; F212-A214 VanDerWaalsContact C-N 3.32Å; F212-A214 PolarHBondContact O-N 3.32Å; F212-I215 HydrophobicContact CD1-CD1 4.38Å; F212-I215 WeakPolarHBondContact O-CB 3.4Å; F212-I215 PolarHBondContact O-N 3.31Å; F212-E216 PolarHBondContact O-N 2.86Å
213H86.5Confident83.5Confident129 Ų12973.5 Ų73.560%0.59739%0.386SS*.Hα-helixtrans-66.8-35.5176.3-162.855.6000112.3I209 R210 I215 E216 S217I209-H213 PolarHBondContact O-N 3.3Å; I209-H213 VanDerWaalsContact O-N 3.09Å; R210-H213 PolarHBondContact O-N 2.87Å; H213-I215 VanDerWaalsContact C-N 3.35Å; H213-E216 IonicContact ND1-OE2 2.66Å; H213-E216 PolarHBondContact ND1-OE2 3.43Å; H213-E216 WeakPolarHBondContact O-CB 3.49Å; H213-E216 PolarHBondContact O-N 2.86Å; H213-S217 PolarHBondContact O-N 3.19Å
214A85.4Confident82Confident15 Ų1581.1 Ų81.112%0.12442%0.422CS..Hα-helixtrans-67.7-32.5172.700000112.6R210 G211 F212 S217 L218 V229 F232R210-A214 WeakPolarHBondContact O-CB 3.3Å; R210-A214 PolarHBondContact O-N 3.07Å; G211-A214 PolarHBondContact O-N 3.09Å; F212-A214 VanDerWaalsContact C-N 3.32Å; F212-A214 PolarHBondContact O-N 3.32Å; A214-S217 PolarHBondContact O-N 3.29Å; A214-L218 WeakPolarHBondContact O-CB 3.37Å; A214-L218 PolarHBondContact O-N 3.49Å; A214-V229 HydrophobicContact CB-CG2 3.65Å; A214-F232 HydrophobicContact CB-CD2 4.23Å; A214-F232 HydrophobicContact CB-CE2 4.29Å
215I85.8Confident81Confident54 Ų5482.8 Ų82.828%0.27743%0.43SS..Hα-helixtrans-64.4-43171.1-72.1167.2000110.5G211 F212 H213 S217 L218 L219 V229 F233G211-I215 WeakPolarHBondContact O-CG1 3.49Å; G211-I215 PolarHBondContact O-N 3.42Å; F212-I215 HydrophobicContact CD1-CD1 4.38Å; F212-I215 WeakPolarHBondContact O-CB 3.4Å; F212-I215 PolarHBondContact O-N 3.31Å; H213-I215 VanDerWaalsContact C-N 3.35Å; I215-S217 VanDerWaalsContact C-N 3.32Å; I215-S217 PolarHBondContact O-N 3.26Å; I215-L218 PolarHBondContact O-N 3.2Å; I215-L219 HydrophobicContact CG2-CD1 4.25Å; I215-L219 WeakPolarHBondContact O-CG 3.45Å; I215-L219 PolarHBondContact O-N 2.83Å; I215-V229 HydrophobicContact CD1-CG1 4.02Å; I215-V229 HydrophobicContact CG1-CB 4.39Å; I215-V229 HydrophobicContact CG1-CG1 3.51Å; I215-V229 HydrophobicContact CG1-CG2 3.87Å; I215-F233 HydrophobicContact CD1-CE2 3.48Å; I215-F233 VanDerWaalsContact CD1-CE2 3.48Å; I215-F233 HydrophobicContact CD1-CZ 3.7Å; I215-F233 HydrophobicContact CG1-CE2 4.3Å
216E84.2Confident80.5Confident104 Ų10486.1 Ų86.149%0.48644%0.436SS..Hα-helixtrans-61.4-41.3177.2-170.2176.1-164.500111.4F212 H213 L219 Q220F212-E216 PolarHBondContact O-N 2.86Å; H213-E216 IonicContact ND1-OE2 2.66Å; H213-E216 PolarHBondContact ND1-OE2 3.43Å; H213-E216 WeakPolarHBondContact O-CB 3.49Å; H213-E216 PolarHBondContact O-N 2.86Å; E216-L219 PolarHBondContact O-N 3.41Å; E216-Q220 WeakPolarHBondContact O-CG 3.44Å; E216-Q220 PolarHBondContact O-N 2.92Å
217S79.4Confident80.2Confident42 Ų4285.8 Ų85.829%0.29444%0.439SS..Hα-helixtrans-63.3-44.1172.5-175.40000112.8H213 A214 I215 L219 Q220 N221 D225H213-S217 PolarHBondContact O-N 3.19Å; A214-S217 PolarHBondContact O-N 3.29Å; I215-S217 VanDerWaalsContact C-N 3.32Å; I215-S217 PolarHBondContact O-N 3.26Å; S217-L219 VanDerWaalsContact C-N 3.29Å; S217-L219 PolarHBondContact O-N 3.38Å; S217-Q220 CarbonylContact O-C 3.53Å; S217-Q220 WeakPolarHBondContact O-CA 3.45Å; S217-Q220 WeakPolarHBondContact O-CB 3.39Å; S217-Q220 PolarHBondContact O-N 2.97Å; S217-N221 PolarHBondContact O-N 2.87Å; S217-D225 WeakPolarHBondContact CB-OD2 3.2Å; S217-D225 PolarHBondContact OG-OD2 3.41Å
218L81.1Confident79.9Confident45 Ų4588 Ų8824%0.23645%0.448CS..Hα-helixtrans-62-35.317817767.7000112.7A214 I215 Q220 N221 D225 F226A214-L218 WeakPolarHBondContact O-CB 3.37Å; A214-L218 PolarHBondContact O-N 3.49Å; I215-L218 PolarHBondContact O-N 3.2Å; L218-Q220 PolarHBondContact O-N 3.03Å; L218-N221 VanDerWaalsContact O-O 3.05Å; L218-D225 HydrophobicContact CB-CB 3.89Å; L218-D225 HydrophobicContact CD1-CB 3.88Å; L218-D225 HydrophobicContact CG-CB 4.48Å; L218-F226 HydrophobicContact CD1-CB 4.04Å; L218-F226 HydrophobicContact CD2-CB 3.9Å; L218-F226 HydrophobicContact CD2-CD2 3.58Å; L218-F226 HydrophobicContact CD2-CG 4.22Å
219L79.9Confident79.8Confident148 Ų14885.4 Ų85.478%0.77543%0.434SS*.THydrogen-bonded Turntrans-68.3-18.3174.8-72.4169.9000112.4I215 E216 S217I215-L219 HydrophobicContact CG2-CD1 4.25Å; I215-L219 WeakPolarHBondContact O-CG 3.45Å; I215-L219 PolarHBondContact O-N 2.83Å; E216-L219 PolarHBondContact O-N 3.41Å; S217-L219 VanDerWaalsContact C-N 3.29Å; S217-L219 PolarHBondContact O-N 3.38Å
220Q76.5Confident79.7Confident146 Ų14684 Ų8468%0.68243%0.427SS*.THydrogen-bonded Turntrans-98.4-28.2179.3-67.4177.6-1.900113.1E216 S217 L218E216-Q220 WeakPolarHBondContact O-CG 3.44Å; E216-Q220 PolarHBondContact O-N 2.92Å; S217-Q220 CarbonylContact O-C 3.53Å; S217-Q220 WeakPolarHBondContact O-CA 3.45Å; S217-Q220 WeakPolarHBondContact O-CB 3.39Å; S217-Q220 PolarHBondContact O-N 2.97Å; L218-Q220 PolarHBondContact O-N 3.03Å
221N67.3Low79.8Confident107 Ų10780.8 Ų80.857%0.57242%0.416SS*.SBendtrans-131126.5-178.6-78.2-31.5000112.4S217 L218 G223S217-N221 PolarHBondContact O-N 2.87Å; L218-N221 VanDerWaalsContact O-O 3.05Å; N221-G223 PolarHBondContact O-N 3.16Å
222E61.7Low79.9Confident209 Ų20981.1 Ų81.198%0.97742%0.418SS*.  trans-80.3114.5-179.2-68.2-15916100112.7
223G59.2Low80Confident60 Ų6078.9 Ų78.962%0.61941%0.408SS*.SBendtrans139.4-55146.400000117.3N221N221-G223 PolarHBondContact O-N 3.16Å
224E60.8Low80.4Confident162 Ų16276.3 Ų76.376%0.75740%0.398SS*.SBendtrans-95.7-17.9-167.8-68.3-173.3160.400114.4F226E224-F226 PolarHBondContact O-N 2.76Å
225D69.1Low80.6Confident37 Ų3775.7 Ų75.720%0.19839%0.393CS..Hα-helixtrans-76.7-18.7-171.7-74.8-14.8000114.5S217 L218 S227 Y228 V229S217-D225 WeakPolarHBondContact CB-OD2 3.2Å; S217-D225 PolarHBondContact OG-OD2 3.41Å; L218-D225 HydrophobicContact CB-CB 3.89Å; L218-D225 HydrophobicContact CD1-CB 3.88Å; L218-D225 HydrophobicContact CG-CB 4.48Å; D225-S227 PolarHBondContact O-N 3.36Å; D225-Y228 PolarHBondContact O-N 2.86Å; D225-V229 WeakPolarHBondContact O-CG2 3.45Å; D225-V229 PolarHBondContact O-N 3.34Å
226F81.6Confident80.8Confident116 Ų11673.7 Ų73.751%0.50938%0.384SS..Hα-helixtrans-68.6-36.1-173.6-174.2-112.3000112.9L218 E224 Y228 V229 I230L218-F226 HydrophobicContact CD1-CB 4.04Å; L218-F226 HydrophobicContact CD2-CB 3.9Å; L218-F226 HydrophobicContact CD2-CD2 3.58Å; L218-F226 HydrophobicContact CD2-CG 4.22Å; E224-F226 PolarHBondContact O-N 2.76Å; F226-Y228 VanDerWaalsContact C-N 3.31Å; F226-Y228 PolarHBondContact O-N 2.94Å; F226-V229 WeakPolarHBondContact O-CB 3.48Å; F226-V229 PolarHBondContact O-N 2.72Å; F226-I230 HydrophobicContact CD1-CD1 3.71Å; F226-I230 HydrophobicContact CD1-CG1 4.47Å; F226-I230 HydrophobicContact CE1-CD1 3.39Å; F226-I230 HydrophobicContact CE1-CG1 4.18Å; F226-I230 HydrophobicContact CZ-CD1 3.94Å; F226-I230 HydrophobicContact CZ-CG1 4.29Å; F226-I230 WeakPolarHBondContact O-CG1 3.36Å; F226-I230 PolarHBondContact O-N 2.91Å
227S85Confident81.2Confident56 Ų5671.3 Ų71.339%0.39238%0.382SS..Hα-helixtrans-66.4-35.3176.8-59.80000111.7D225 I230 A231 Y270D225-S227 PolarHBondContact O-N 3.36Å; S227-I230 PolarHBondContact O-N 2.93Å; S227-A231 PolarHBondContact O-N 3.36Å; S227-Y270 WeakPolarHBondContact CB-OH 3.3Å
228Y86Confident81.7Confident48 Ų4869.5 Ų69.519%0.18837%0.369CS..Hα-helixtrans-68.2-41.2174-62.6-54.1000112.2D225 F226 I230 A231 F232 Y270 L271 L274D225-Y228 PolarHBondContact O-N 2.86Å; F226-Y228 VanDerWaalsContact C-N 3.31Å; F226-Y228 PolarHBondContact O-N 2.94Å; Y228-I230 VanDerWaalsContact C-N 3.35Å; Y228-I230 PolarHBondContact O-N 3.4Å; Y228-A231 PolarHBondContact O-N 2.86Å; Y228-F232 WeakPolarHBondContact O-CD2 3.32Å; Y228-F232 PolarHBondContact O-N 2.91Å; Y228-Y270 HydrophobicContact CD1-CD1 4.19Å; Y228-Y270 AromaticContact CD1-CE1 3.8Å; Y228-Y270 HydrophobicContact CD1-CE1 3.8Å; Y228-Y270 HydrophobicContact CE1-CD1 4.43Å; Y228-Y270 HydrophobicContact CE1-CE1 4.01Å; Y228-L271 HydrophobicContact CD1-CD2 3.85Å; Y228-L271 HydrophobicContact CG-CD2 4.46Å; Y228-L274 HydrophobicContact CD1-CD1 3.57Å; Y228-L274 HydrophobicContact CD2-CD1 3.96Å; Y228-L274 HydrophobicContact CE1-CD1 4.06Å; Y228-L274 HydrophobicContact CE2-CD1 4.43Å; Y228-L274 HydrophobicContact CG-CD1 3.5Å
229V88.4Confident82.2Confident8 Ų867.5 Ų67.55%0.04836%0.359CS..Hα-helixtrans-54-52.6171.9171.20000110.1A214 I215 D225 F226 A231 F232 F233A214-V229 HydrophobicContact CB-CG2 3.65Å; I215-V229 HydrophobicContact CD1-CG1 4.02Å; I215-V229 HydrophobicContact CG1-CB 4.39Å; I215-V229 HydrophobicContact CG1-CG1 3.51Å; I215-V229 HydrophobicContact CG1-CG2 3.87Å; D225-V229 WeakPolarHBondContact O-CG2 3.45Å; D225-V229 PolarHBondContact O-N 3.34Å; F226-V229 WeakPolarHBondContact O-CB 3.48Å; F226-V229 PolarHBondContact O-N 2.72Å; V229-A231 VanDerWaalsContact C-N 3.29Å; V229-A231 PolarHBondContact O-N 3.45Å; V229-F232 PolarHBondContact O-N 3.49Å; V229-F232 VanDerWaalsContact O-N 3.13Å; V229-F233 HydrophobicContact CG1-CD2 3.78Å; V229-F233 HydrophobicContact CG1-CE2 3.79Å; V229-F233 VanDerWaalsContact O-CD2 3.28Å; V229-F233 WeakPolarHBondContact O-CD2 3.4Å; V229-F233 PolarHBondContact O-N 3.22Å; V229-F233 VanDerWaalsContact O-N 3.09Å
230I89.3Confident82.7Confident84 Ų8464.7 Ų64.743%0.43134%0.344SS..Hα-helixtrans-56.3-45.1178.6-68.6166.7000111F226 S227 Y228 F232 F233 L234F226-I230 HydrophobicContact CD1-CD1 3.71Å; F226-I230 HydrophobicContact CD1-CG1 4.47Å; F226-I230 HydrophobicContact CE1-CD1 3.39Å; F226-I230 HydrophobicContact CE1-CG1 4.18Å; F226-I230 HydrophobicContact CZ-CD1 3.94Å; F226-I230 HydrophobicContact CZ-CG1 4.29Å; F226-I230 WeakPolarHBondContact O-CG1 3.36Å; F226-I230 PolarHBondContact O-N 2.91Å; S227-I230 PolarHBondContact O-N 2.93Å; Y228-I230 VanDerWaalsContact C-N 3.35Å; Y228-I230 PolarHBondContact O-N 3.4Å; I230-F232 VanDerWaalsContact C-N 3.33Å; I230-F232 PolarHBondContact O-N 2.96Å; I230-F233 PolarHBondContact O-N 3.3Å; I230-L234 WeakPolarHBondContact O-CB 3.31Å; I230-L234 PolarHBondContact O-N 2.89Å
231A90.3Very high83.3Confident7 Ų762 Ų626%0.05833%0.329CS..Hα-helixtrans-62.3-37.1-18000000112.9S227 Y228 V229 G235 Y270 L271S227-A231 PolarHBondContact O-N 3.36Å; Y228-A231 PolarHBondContact O-N 2.86Å; V229-A231 VanDerWaalsContact C-N 3.29Å; V229-A231 PolarHBondContact O-N 3.45Å; A231-G235 PolarHBondContact O-N 2.99Å; A231-Y270 HydrophobicContact CB-CD1 3.68Å; A231-Y270 HydrophobicContact CB-CE1 4.3Å; A231-L271 HydrophobicContact CB-CD1 4.03Å; A231-L271 HydrophobicContact CB-CD2 3.99Å; A231-L271 HydrophobicContact CB-CG 3.89Å
232F91.3Very high84.3Confident8 Ų857 Ų574%0.03530%0.302CS..Hα-helixtrans-65.4-48174-77.7-65.8000112.3R210 A214 Y228 V229 I230 L234 G235 T236 L271 L274R210-F232 HydrophobicContact CB-CD1 3.77Å; R210-F232 HydrophobicContact CB-CE1 3.45Å; R210-F232 VanDerWaalsContact CB-CE1 3.45Å; R210-F232 HydrophobicContact CB-CE2 4.34Å; R210-F232 HydrophobicContact CB-CG 4.35Å; R210-F232 HydrophobicContact CB-CZ 3.79Å; R210-F232 HydrophobicContact CG-CE1 4.31Å; A214-F232 HydrophobicContact CB-CD2 4.23Å; A214-F232 HydrophobicContact CB-CE2 4.29Å; Y228-F232 WeakPolarHBondContact O-CD2 3.32Å; Y228-F232 PolarHBondContact O-N 2.91Å; V229-F232 PolarHBondContact O-N 3.49Å; V229-F232 VanDerWaalsContact O-N 3.13Å; I230-F232 VanDerWaalsContact C-N 3.33Å; I230-F232 PolarHBondContact O-N 2.96Å; F232-L234 PolarHBondContact O-N 3.37Å; F232-G235 PolarHBondContact O-N 3.41Å; F232-T236 PolarHBondContact O-N 3.43Å; F232-T236 PolarHBondContact O-OG1 2.98Å; F232-T236 VanDerWaalsContact O-OG1 3.08Å; F232-L271 HydrophobicContact CD1-CD1 3.7Å; F232-L271 HydrophobicContact CD2-CD1 4.43Å; F232-L271 HydrophobicContact CD2-CD2 4.05Å; F232-L271 HydrophobicContact CE1-CD1 3.72Å; F232-L271 HydrophobicContact CE1-CD2 4.29Å; F232-L271 HydrophobicContact CE2-CD1 4.43Å; F232-L271 HydrophobicContact CE2-CD2 3.66Å; F232-L271 HydrophobicContact CG-CD1 4.06Å; F232-L271 HydrophobicContact CG-CD2 4.49Å; F232-L271 HydrophobicContact CZ-CD1 4.08Å; F232-L271 HydrophobicContact CZ-CD2 3.79Å; F232-L271 HydrophobicContact CZ-CG 4.49Å; F232-L274 HydrophobicContact CE2-CD1 4.2Å; F232-L274 HydrophobicContact CZ-CD1 4.45Å
233F92.3Very high85.5Confident72 Ų7247.7 Ų47.732%0.31626%0.259SS..Hα-helixtrans-65.9-38.5178.5-79.7-82.8000112.4L208 I215 V229 I230 G235 T236 A237L208-F233 HydrophobicContact CD1-CD1 4.13Å; L208-F233 HydrophobicContact CD1-CE1 3.6Å; L208-F233 HydrophobicContact CD1-CZ 4.3Å; I215-F233 HydrophobicContact CD1-CE2 3.48Å; I215-F233 VanDerWaalsContact CD1-CE2 3.48Å; I215-F233 HydrophobicContact CD1-CZ 3.7Å; I215-F233 HydrophobicContact CG1-CE2 4.3Å; V229-F233 HydrophobicContact CG1-CD2 3.78Å; V229-F233 HydrophobicContact CG1-CE2 3.79Å; V229-F233 VanDerWaalsContact O-CD2 3.28Å; V229-F233 WeakPolarHBondContact O-CD2 3.4Å; V229-F233 PolarHBondContact O-N 3.22Å; V229-F233 VanDerWaalsContact O-N 3.09Å; I230-F233 PolarHBondContact O-N 3.3Å; F233-G235 VanDerWaalsContact C-N 3.34Å; F233-T236 WeakPolarHBondContact O-CB 3.31Å; F233-T236 PolarHBondContact O-N 3.4Å; F233-A237 WeakPolarHBondContact O-CB 3.18Å; F233-A237 PolarHBondContact O-N 3.21Å
234L93.1Very high86.8Confident74 Ų7449.8 Ų49.839%0.38725%0.249SC..Hα-helixtrans-64.5-40.5175.1-169.360.5000111.2I230 F232 A237 A238 L263I230-L234 WeakPolarHBondContact O-CB 3.31Å; I230-L234 PolarHBondContact O-N 2.89Å; F232-L234 PolarHBondContact O-N 3.37Å; L234-A237 PolarHBondContact O-N 3.32Å; L234-A238 WeakPolarHBondContact O-CB 3.44Å; L234-A238 PolarHBondContact O-N 3.45Å; L234-L263 HydrophobicContact CD1-CD2 4.1Å; L234-L263 HydrophobicContact CD2-CD1 3.88Å; L234-L263 HydrophobicContact CG-CD1 4.07Å; L234-L263 HydrophobicContact CG-CD2 4.25Å; L234-L263 HydrophobicContact CG-CG 4.34Å
235G89.4Confident88Confident2 Ų242 Ų422%0.02121%0.213CC..Hα-helixtrans-62.1-40.9171.900000113.1A231 F232 F233 A238 C239A231-G235 PolarHBondContact O-N 2.99Å; F232-G235 PolarHBondContact O-N 3.41Å; F233-G235 VanDerWaalsContact C-N 3.34Å; G235-A238 PolarHBondContact O-N 3.01Å; G235-C239 PolarHBondContact O-N 3.26Å; G235-C239 VanDerWaalsContact O-N 3.12Å; G235-C239 PolarHBondContact O-SG 3.19Å
236T91.2Very high88.6Confident13 Ų1340.8 Ų40.88%0.0821%0.206CC..Hα-helixtrans-63-49.3174.5-590000111.6G204 N207 L208 F232 F233 A238 C239 L240G204-T236 PolarHBondContact O-OG1 2.95Å; N207-T236 WeakPolarHBondContact CB-OG1 3.44Å; L208-T236 HydrophobicContact CB-CG2 4.24Å; L208-T236 HydrophobicContact CD1-CG2 4.37Å; L208-T236 PolarHBondContact N-OG1 3.42Å; F232-T236 PolarHBondContact O-N 3.43Å; F232-T236 PolarHBondContact O-OG1 2.98Å; F232-T236 VanDerWaalsContact O-OG1 3.08Å; F233-T236 WeakPolarHBondContact O-CB 3.31Å; F233-T236 PolarHBondContact O-N 3.4Å; T236-A238 VanDerWaalsContact C-N 3.29Å; T236-A238 PolarHBondContact O-N 3.27Å; T236-C239 PolarHBondContact O-N 3.42Å; T236-L240 HydrophobicContact CG2-CD1 4.29Å; T236-L240 WeakPolarHBondContact O-CG 3.42Å; T236-L240 PolarHBondContact O-N 2.96Å
237A92.1Very high88.6Confident54 Ų5438.5 Ų38.545%0.44620%0.201SC..Hα-helixtrans-59.5-41178.600000111.6F233 L234 L240 Y241F233-A237 WeakPolarHBondContact O-CB 3.18Å; F233-A237 PolarHBondContact O-N 3.21Å; L234-A237 PolarHBondContact O-N 3.32Å; A237-L240 PolarHBondContact O-N 3.31Å; A237-Y241 VanDerWaalsContact O-CB 3.32Å; A237-Y241 WeakPolarHBondContact O-CB 3.28Å; A237-Y241 PolarHBondContact O-N 3.31Å
238A91.3Very high88.1Confident3 Ų342.1 Ų42.13%0.02521%0.208CC..Hα-helixtrans-63.3-41.8176.400000112.5L234 G235 T236 Y241 Q242 T260 L263 I264L234-A238 WeakPolarHBondContact O-CB 3.44Å; L234-A238 PolarHBondContact O-N 3.45Å; G235-A238 PolarHBondContact O-N 3.01Å; T236-A238 VanDerWaalsContact C-N 3.29Å; T236-A238 PolarHBondContact O-N 3.27Å; A238-Y241 PolarHBondContact O-N 3.18Å; A238-Q242 PolarHBondContact O-N 3.25Å; A238-T260 HydrophobicContact CB-CG2 3.86Å; A238-T260 WeakPolarHBondContact O-CG2 3.34Å; A238-L263 HydrophobicContact CB-CD2 4.03Å; A238-L263 HydrophobicContact CB-CG 4.33Å; A238-I264 HydrophobicContact CB-CD1 4.31Å; A238-I264 HydrophobicContact CB-CG1 3.64Å
239C90.2Very high87.3Confident4 Ų444.9 Ų44.93%0.02722%0.218CC..Hα-helixtrans-64-43.7176.2-64.30000111.9S200 G235 T236 Y241 Q242 C243S200-C239 PolarHBondContact OG-O 2.95Å; G235-C239 PolarHBondContact O-N 3.26Å; G235-C239 VanDerWaalsContact O-N 3.12Å; G235-C239 PolarHBondContact O-SG 3.19Å; T236-C239 PolarHBondContact O-N 3.42Å; C239-Y241 VanDerWaalsContact C-N 3.31Å; C239-Y241 PolarHBondContact O-N 3.42Å; C239-Q242 PolarHBondContact O-N 2.87Å; C239-C243 PolarHBondContact O-N 3.27Å; C239-C243 VanDerWaalsContact O-N 3.08Å; C239-C243 PolarHBondContact O-SG 3.5Å; C239-C243 VanDerWaalsContact O-SG 3.4Å
240L89.9Confident86.5Confident89 Ų8945.6 Ų45.647%0.46622%0.223SC..Hα-helixtrans-65.2-36.2176-66.9177.9000111.9L201 T236 A237 C243 Y244L201-L240 HydrophobicContact CD1-CD2 4.14Å; T236-L240 HydrophobicContact CG2-CD1 4.29Å; T236-L240 WeakPolarHBondContact O-CG 3.42Å; T236-L240 PolarHBondContact O-N 2.96Å; A237-L240 PolarHBondContact O-N 3.31Å; L240-C243 WeakPolarHBondContact O-CB 3.33Å; L240-C243 PolarHBondContact O-N 3.08Å; L240-Y244 PolarHBondContact O-N 2.94Å
241Y89.3Confident85.3Confident89 Ų8943.3 Ų43.335%0.34922%0.22SC..Hα-helixtrans-69-36176.2-168.9-107.3000112.2A237 A238 C239 Y244 L245 K256 T260A237-Y241 VanDerWaalsContact O-CB 3.32Å; A237-Y241 WeakPolarHBondContact O-CB 3.28Å; A237-Y241 PolarHBondContact O-N 3.31Å; A238-Y241 PolarHBondContact O-N 3.18Å; C239-Y241 VanDerWaalsContact C-N 3.31Å; C239-Y241 PolarHBondContact O-N 3.42Å; Y241-Y244 HydrophobicContact CD2-CD1 4.25Å; Y241-Y244 HydrophobicContact CE2-CD1 4.11Å; Y241-Y244 WeakPolarHBondContact O-CB 3.42Å; Y241-Y244 PolarHBondContact O-N 3.31Å; Y241-L245 HydrophobicContact CD1-CD1 3.86Å; Y241-L245 HydrophobicContact CD1-CG 4.12Å; Y241-L245 HydrophobicContact CE1-CD1 3.6Å; Y241-L245 HydrophobicContact CE1-CD2 4.12Å; Y241-L245 HydrophobicContact CE1-CG 3.88Å; Y241-L245 WeakPolarHBondContact O-CG 3.39Å; Y241-L245 PolarHBondContact O-N 2.9Å; Y241-K256 HydrophobicContact CE1-CB 4.44Å; Y241-T260 HydrophobicContact CD1-CG2 3.98Å; Y241-T260 WeakPolarHBondContact CD1-OG1 3.34Å
242Q88.4Confident84.6Confident3 Ų352.7 Ų52.71%0.01425%0.254CS..Hα-helixtrans-61.3-43.4169-73.3-169.3-41.200111.7A238 C239 Y244 L245 F246 T260 I264 G287 T291 I294A238-Q242 PolarHBondContact O-N 3.25Å; C239-Q242 PolarHBondContact O-N 2.87Å; Q242-Y244 VanDerWaalsContact C-N 3.3Å; Q242-Y244 PolarHBondContact O-N 2.93Å; Q242-L245 PolarHBondContact O-N 3.49Å; Q242-F246 WeakPolarHBondContact O-CB 3.47Å; Q242-F246 PolarHBondContact O-N 3.45Å; Q242-T260 HydrophobicContact CG-CG2 3.64Å; Q242-I264 HydrophobicContact CG-CD1 4.12Å; Q242-G287 PolarHBondContact NE2-O 3.22Å; Q242-G287 VanDerWaalsContact NE2-O 3.13Å; Q242-T291 PolarHBondContact NE2-OG1 3.46Å; Q242-I294 HydrophobicContact CB-CD1 4.26Å; Q242-I294 WeakPolarHBondContact O-CD1 3.37Å
243C87.3Confident84Confident12 Ų1253 Ų538%0.08126%0.255CS..Hα-helixtrans-59.7-41.6173.9-68.80000111.9F197 S200 C239 L240 F246 V247F197-C243 HydrophobicContact CD2-CB 4.02Å; F197-C243 HydrophobicContact CE2-CB 3.61Å; F197-C243 HydrophobicContact CZ-CB 4.45Å; S200-C243 PolarHBondContact OG-SG 3.03Å; C239-C243 PolarHBondContact O-N 3.27Å; C239-C243 VanDerWaalsContact O-N 3.08Å; C239-C243 PolarHBondContact O-SG 3.5Å; C239-C243 VanDerWaalsContact O-SG 3.4Å; L240-C243 WeakPolarHBondContact O-CB 3.33Å; L240-C243 PolarHBondContact O-N 3.08Å; C243-F246 WeakPolarHBondContact O-CB 3.35Å; C243-F246 PolarHBondContact O-N 3.4Å; C243-V247 WeakPolarHBondContact O-CG2 3.38Å; C243-V247 PolarHBondContact O-N 3.33Å; C243-V247 VanDerWaalsContact O-N 3.07Å
244Y86.3Confident83.3Confident104 Ų10452.6 Ų52.641%0.40826%0.256SS..Hα-helixtrans-62.5-48.2175.3173.6-94000112.1L240 Y241 Q242 F246 V247 Y248 T250L240-Y244 PolarHBondContact O-N 2.94Å; Y241-Y244 HydrophobicContact CD2-CD1 4.25Å; Y241-Y244 HydrophobicContact CE2-CD1 4.11Å; Y241-Y244 WeakPolarHBondContact O-CB 3.42Å; Y241-Y244 PolarHBondContact O-N 3.31Å; Q242-Y244 VanDerWaalsContact C-N 3.3Å; Q242-Y244 PolarHBondContact O-N 2.93Å; Y244-F246 PolarHBondContact O-N 3.45Å; Y244-V247 PolarHBondContact O-N 2.89Å; Y244-Y248 AromaticContact CD2-CD2 3.5Å; Y244-Y248 HydrophobicContact CD2-CD2 3.5Å; Y244-Y248 VanDerWaalsContact CD2-CD2 3.5Å; Y244-Y248 HydrophobicContact CD2-CE2 4.06Å; Y244-Y248 HydrophobicContact CD2-CG 4.3Å; Y244-Y248 AromaticContact CE2-CD2 3.5Å; Y244-Y248 HydrophobicContact CE2-CD2 3.5Å; Y244-Y248 VanDerWaalsContact CE2-CD2 3.5Å; Y244-Y248 HydrophobicContact CE2-CE2 4.11Å; Y244-Y248 AromaticContact CE2-CG 3.91Å; Y244-Y248 HydrophobicContact CE2-CG 3.91Å; Y244-Y248 HydrophobicContact CG-CD2 4.31Å; Y244-Y248 PolarHBondContact O-N 3.33Å; Y244-T250 HydrophobicContact CE1-CG2 4.07Å
245L85.5Confident83Confident0 Ų052.6 Ų52.60%026%0.259CS..Hα-helixtrans-63.7-29.7176.6-69.7179000112.5Y241 Q242 T250 R253 K256 I294Y241-L245 HydrophobicContact CD1-CD1 3.86Å; Y241-L245 HydrophobicContact CD1-CG 4.12Å; Y241-L245 HydrophobicContact CE1-CD1 3.6Å; Y241-L245 HydrophobicContact CE1-CD2 4.12Å; Y241-L245 HydrophobicContact CE1-CG 3.88Å; Y241-L245 WeakPolarHBondContact O-CG 3.39Å; Y241-L245 PolarHBondContact O-N 2.9Å; Q242-L245 PolarHBondContact O-N 3.49Å; L245-T250 VanDerWaalsContact CD2-OG1 3.31Å; L245-T250 WeakPolarHBondContact CD2-OG1 3.49Å; L245-R253 HydrophobicContact CB-CG 4.43Å; L245-R253 HydrophobicContact CD2-CG 4.41Å; L245-R253 WeakPolarHBondContact O-CD 3.15Å; L245-K256 HydrophobicContact CD1-CB 3.88Å; L245-K256 HydrophobicContact CD2-CB 4.18Å; L245-K256 HydrophobicContact CD2-CD 4.34Å; L245-I294 HydrophobicContact CB-CD1 4.18Å
246F82.9Confident82.9Confident10 Ų1055.8 Ų55.84%0.04427%0.272CS..Hα-helixtrans-67.8-44.1174.1-175.7-104000111.3L186 V189 F197 Q242 C243 Y244 Q293 I294 R297L186-F246 WeakPolarHBondContact CD1-O 3.49Å; V189-F246 HydrophobicContact CG1-CE1 3.88Å; V189-F246 HydrophobicContact CG1-CZ 3.86Å; V189-F246 HydrophobicContact CG2-CE1 4.4Å; F197-F246 HydrophobicContact CB-CD1 4.35Å; F197-F246 HydrophobicContact CB-CE1 4.35Å; F197-F246 AromaticContact CD2-CD1 3.94Å; F197-F246 HydrophobicContact CD2-CD1 3.94Å; Q242-F246 WeakPolarHBondContact O-CB 3.47Å; Q242-F246 PolarHBondContact O-N 3.45Å; C243-F246 WeakPolarHBondContact O-CB 3.35Å; C243-F246 PolarHBondContact O-N 3.4Å; Y244-F246 PolarHBondContact O-N 3.45Å; F246-Q293 HydrophobicContact CD2-CB 4.47Å; F246-Q293 HydrophobicContact CE2-CB 4.03Å; F246-I294 HydrophobicContact CB-CD1 4.45Å; F246-I294 HydrophobicContact CB-CG1 3.97Å; F246-I294 HydrophobicContact CD2-CG1 3.98Å; F246-R297 PolarHBondContact O-NH1 3.02Å
247V80.8Confident82.7Confident68 Ų6855.1 Ų55.141%0.41227%0.268SS..Hα-helixtrans-82.1-40.5-174.9175.60000112.9F197 C243 Y244F197-V247 HydrophobicContact CD2-CG2 4.33Å; F197-V247 HydrophobicContact CE2-CG2 3.76Å; C243-V247 WeakPolarHBondContact O-CG2 3.38Å; C243-V247 PolarHBondContact O-N 3.33Å; C243-V247 VanDerWaalsContact O-N 3.07Å; Y244-V247 PolarHBondContact O-N 2.89Å
248Y74.2Confident82.6Confident133 Ų13356.4 Ų56.452%0.52226%0.264SS..SBendtrans-108137.3-171.3-68.3-81.8000112.8Y244 T250Y244-Y248 AromaticContact CD2-CD2 3.5Å; Y244-Y248 HydrophobicContact CD2-CD2 3.5Å; Y244-Y248 VanDerWaalsContact CD2-CD2 3.5Å; Y244-Y248 HydrophobicContact CD2-CE2 4.06Å; Y244-Y248 HydrophobicContact CD2-CG 4.3Å; Y244-Y248 AromaticContact CE2-CD2 3.5Å; Y244-Y248 HydrophobicContact CE2-CD2 3.5Å; Y244-Y248 VanDerWaalsContact CE2-CD2 3.5Å; Y244-Y248 HydrophobicContact CE2-CE2 4.11Å; Y244-Y248 AromaticContact CE2-CG 3.91Å; Y244-Y248 HydrophobicContact CE2-CG 3.91Å; Y244-Y248 HydrophobicContact CG-CD2 4.31Å; Y244-Y248 PolarHBondContact O-N 3.33Å; Y248-T250 PolarHBondContact O-N 3.27Å
249Y69.1Low82.7Confident105 Ų10562 Ų6241%0.41229%0.293SS..  trans-71126.4170.5178.9-98.5000110.5Q184 L186 P299Q184-Y249 HydrophobicContact CB-CD1 4.38Å; Q184-Y249 HydrophobicContact CB-CE1 4.49Å; Q184-Y249 HydrophobicContact CB-CG 4.39Å; Q184-Y249 PolarHBondContact OE1-OH 2.96Å; L186-Y249 HydrophobicContact CD2-CD2 4.1Å; Y249-P299 HydrophobicContact CD2-CB 4.26Å; Y249-P299 HydrophobicContact CE2-CB 4.07Å; Y249-P299 HydrophobicContact CE2-CG 4.49Å
250T71.6Confident82.7Confident24 Ų2462.3 Ų62.315%0.14730%0.295CS..  trans-134.1142.617238.50000109.7Y244 L245 Y248 W252 R253Y244-T250 HydrophobicContact CE1-CG2 4.07Å; L245-T250 VanDerWaalsContact CD2-OG1 3.31Å; L245-T250 WeakPolarHBondContact CD2-OG1 3.49Å; Y248-T250 PolarHBondContact O-N 3.27Å; T250-W252 PolarHBondContact O-N 3.41Å; T250-R253 WeakPolarHBondContact O-CB 3.35Å; T250-R253 PolarHBondContact O-N 3.16Å
251G65.9Low82.9Confident36 Ų3660.2 Ų60.237%0.37128%0.282SS..THydrogen-bonded Turntrans-56.9140.4168.100000110R253 K256G251-R253 VanDerWaalsContact C-N 3.29Å; G251-R253 PolarHBondContact O-N 2.96Å; G251-K256 WeakPolarHBondContact O-CE 3.5Å; G251-K256 PolarHBondContact O-NZ 2.86Å
252W74Confident83Confident204 Ų20457.4 Ų57.477%0.77328%0.28SS*.THydrogen-bonded Turntrans65.224.9-179.1-57.758.3000114.7T250 N254 V255 K256T250-W252 PolarHBondContact O-N 3.41Å; W252-N254 VanDerWaalsContact C-N 3.26Å; W252-N254 PolarHBondContact O-N 3.32Å; W252-N254 VanDerWaalsContact O-N 3.13Å; W252-V255 HydrophobicContact CE3-CB 4.44Å; W252-V255 HydrophobicContact CE3-CG2 4.17Å; W252-V255 PolarHBondContact O-N 3.02Å; W252-V255 VanDerWaalsContact O-N 3.08Å; W252-K256 PolarHBondContact O-N 2.7Å
253R78.8Confident83.2Confident15 Ų1560.1 Ų60.16%0.05729%0.294CS..Hα-helixtrans-48.3-42.6-177.2-169.8-173.465.5-177.1-4.7114.2L245 T250 G251 K256 S257 I294 R297L245-R253 HydrophobicContact CB-CG 4.43Å; L245-R253 HydrophobicContact CD2-CG 4.41Å; L245-R253 WeakPolarHBondContact O-CD 3.15Å; T250-R253 WeakPolarHBondContact O-CB 3.35Å; T250-R253 PolarHBondContact O-N 3.16Å; G251-R253 VanDerWaalsContact C-N 3.29Å; G251-R253 PolarHBondContact O-N 2.96Å; R253-K256 PolarHBondContact O-N 3.35Å; R253-S257 VanDerWaalsContact O-CB 3.32Å; R253-S257 WeakPolarHBondContact O-CB 3.44Å; R253-S257 PolarHBondContact O-N 2.93Å; R253-I294 HydrophobicContact CG-CG2 3.74Å; R253-I294 PolarHBondContact NE-O 2.91Å; R253-I294 PolarHBondContact NH2-O 3.44Å; R253-R297 PolarHBondContact NH1-O 3.01Å; R253-R297 PolarHBondContact NH2-O 3.35Å
254N78.8Confident83.4Confident62 Ų6259.7 Ų59.733%0.33229%0.291SS..Hα-helixtrans-64.1-49.5-179.8-68.4-23.2000111.3W252 K256 S257 F258W252-N254 VanDerWaalsContact C-N 3.26Å; W252-N254 PolarHBondContact O-N 3.32Å; W252-N254 VanDerWaalsContact O-N 3.13Å; N254-K256 VanDerWaalsContact C-N 3.34Å; N254-K256 PolarHBondContact O-N 2.96Å; N254-S257 PolarHBondContact O-N 3.28Å; N254-F258 WeakPolarHBondContact O-CD2 3.33Å; N254-F258 PolarHBondContact O-N 3.47Å
255V85.4Confident83.7Confident74 Ų7456.2 Ų56.245%0.44828%0.282SS..Hα-helixtrans-60.4-46.2178.5179.40000110.4W252 S257 F258 L259W252-V255 HydrophobicContact CE3-CB 4.44Å; W252-V255 HydrophobicContact CE3-CG2 4.17Å; W252-V255 PolarHBondContact O-N 3.02Å; W252-V255 VanDerWaalsContact O-N 3.08Å; V255-S257 VanDerWaalsContact C-N 3.33Å; V255-S257 PolarHBondContact O-N 3.34Å; V255-F258 PolarHBondContact O-N 3.03Å; V255-L259 HydrophobicContact CG1-CD1 4.15Å; V255-L259 WeakPolarHBondContact O-CG 3.38Å; V255-L259 PolarHBondContact O-N 3.35Å
256K87.6Confident84Confident69 Ų6962 Ų6230%0.331%0.312SS..Hα-helixtrans-58.2-45.4176.1-71172.2174.4167.70111.6Y241 L245 G251 W252 R253 N254 F258 L259 T260Y241-K256 HydrophobicContact CE1-CB 4.44Å; L245-K256 HydrophobicContact CD1-CB 3.88Å; L245-K256 HydrophobicContact CD2-CB 4.18Å; L245-K256 HydrophobicContact CD2-CD 4.34Å; G251-K256 WeakPolarHBondContact O-CE 3.5Å; G251-K256 PolarHBondContact O-NZ 2.86Å; W252-K256 PolarHBondContact O-N 2.7Å; R253-K256 PolarHBondContact O-N 3.35Å; N254-K256 VanDerWaalsContact C-N 3.34Å; N254-K256 PolarHBondContact O-N 2.96Å; K256-F258 VanDerWaalsContact C-N 3.34Å; K256-F258 PolarHBondContact O-N 3.39Å; K256-L259 PolarHBondContact O-N 3.26Å; K256-T260 PolarHBondContact O-N 2.77Å; K256-T260 PolarHBondContact O-OG1 3.38Å
257S88.6Confident84.3Confident0 Ų061.9 Ų61.90%031%0.312CS..Hα-helixtrans-63.3-36.8178.2-1710000113R253 N254 V255 F261 T291 I294R253-S257 VanDerWaalsContact O-CB 3.32Å; R253-S257 WeakPolarHBondContact O-CB 3.44Å; R253-S257 PolarHBondContact O-N 2.93Å; N254-S257 PolarHBondContact O-N 3.28Å; V255-S257 VanDerWaalsContact C-N 3.33Å; V255-S257 PolarHBondContact O-N 3.34Å; S257-F261 WeakPolarHBondContact O-CB 3.45Å; S257-F261 PolarHBondContact O-N 3.02Å; S257-T291 PolarHBondContact O-OG1 3.44Å; S257-T291 WeakPolarHBondContact OG-CA 3.14Å; S257-T291 PolarHBondContact OG-OG1 3.03Å; S257-I294 WeakPolarHBondContact OG-CD1 3.5Å
258F89.8Confident84.7Confident80 Ų8058.8 Ų58.835%0.35129%0.293SS..Hα-helixtrans-66.9-44.7173.4-87.3-74.7000112.4N254 V255 K256 T260 F261 G262 T291 R295N254-F258 WeakPolarHBondContact O-CD2 3.33Å; N254-F258 PolarHBondContact O-N 3.47Å; V255-F258 PolarHBondContact O-N 3.03Å; K256-F258 VanDerWaalsContact C-N 3.34Å; K256-F258 PolarHBondContact O-N 3.39Å; F258-T260 VanDerWaalsContact C-N 3.29Å; F258-T260 PolarHBondContact O-N 3.01Å; F258-F261 PolarHBondContact O-N 3.39Å; F258-G262 PolarHBondContact O-N 2.81Å; F258-T291 HydrophobicContact CD1-CG2 4.37Å; F258-T291 HydrophobicContact CD2-CG2 4.47Å; F258-T291 HydrophobicContact CE1-CG2 4.01Å; F258-T291 HydrophobicContact CE2-CG2 4.03Å; F258-T291 HydrophobicContact CZ-CG2 3.75Å; F258-R295 HydrophobicContact CE2-CG 4.02Å; F258-R295 HydrophobicContact CZ-CG 4.48Å; F258-R295 VanDerWaalsContact CZ-NE 3.34Å
259L91.8Very high85.4Confident121 Ų12158.5 Ų58.563%0.63430%0.298SS*.Hα-helixtrans-60.4-42.5177.2-70.3172.6000110.9V255 K256 G262 L263V255-L259 HydrophobicContact CG1-CD1 4.15Å; V255-L259 WeakPolarHBondContact O-CG 3.38Å; V255-L259 PolarHBondContact O-N 3.35Å; K256-L259 PolarHBondContact O-N 3.26Å; L259-G262 PolarHBondContact O-N 3.12Å; L259-L263 PolarHBondContact O-N 2.88Å
260T90.8Very high86.3Confident11 Ų1158.9 Ų58.97%0.06730%0.3CS..Hα-helixtrans-65.9-38176.3-47.30000112.3A238 Y241 Q242 K256 F258 L263 I264A238-T260 HydrophobicContact CB-CG2 3.86Å; A238-T260 WeakPolarHBondContact O-CG2 3.34Å; Y241-T260 HydrophobicContact CD1-CG2 3.98Å; Y241-T260 WeakPolarHBondContact CD1-OG1 3.34Å; Q242-T260 HydrophobicContact CG-CG2 3.64Å; K256-T260 PolarHBondContact O-N 2.77Å; K256-T260 PolarHBondContact O-OG1 3.38Å; F258-T260 VanDerWaalsContact C-N 3.29Å; F258-T260 PolarHBondContact O-N 3.01Å; T260-L263 WeakPolarHBondContact O-CB 3.37Å; T260-L263 PolarHBondContact O-N 3.03Å; T260-I264 WeakPolarHBondContact O-CG1 3.49Å; T260-I264 PolarHBondContact O-N 3.4Å
261F93.9Very high87Confident44 Ų4457.8 Ų57.819%0.19329%0.293CS..Hα-helixtrans-65.3-42.2173.8175.9-116000112.6S257 F258 L263 I264 C265 V284 A288 T291S257-F261 WeakPolarHBondContact O-CB 3.45Å; S257-F261 PolarHBondContact O-N 3.02Å; F258-F261 PolarHBondContact O-N 3.39Å; F261-L263 VanDerWaalsContact C-N 3.28Å; F261-L263 PolarHBondContact O-N 3.15Å; F261-I264 WeakPolarHBondContact O-CB 3.22Å; F261-I264 PolarHBondContact O-N 3.5Å; F261-C265 VanDerWaalsContact CE2-SG 3.6Å; F261-C265 WeakPolarHBondContact CZ-SG 3.32Å; F261-C265 PolarHBondContact O-N 3.37Å; F261-C265 PolarHBondContact O-SG 3.29Å; F261-V284 HydrophobicContact CE2-CG1 4.39Å; F261-V284 WeakPolarHBondContact CE2-O 3.15Å; F261-V284 HydrophobicContact CZ-CG1 4.29Å; F261-A288 HydrophobicContact CE2-CB 3.71Å; F261-A288 VanDerWaalsContact CE2-N 3.25Å; F261-A288 HydrophobicContact CZ-CB 3.76Å; F261-T291 WeakPolarHBondContact CB-OG1 3.37Å
262G91.5Very high88Confident30 Ų3062.7 Ų62.731%0.30930%0.301SS..Hα-helixtrans-57.9-42.9172.600000111.5F258 L259 I264 C265 L266F258-G262 PolarHBondContact O-N 2.81Å; L259-G262 PolarHBondContact O-N 3.12Å; G262-I264 PolarHBondContact O-N 3.19Å; G262-C265 WeakPolarHBondContact O-CB 3.28Å; G262-C265 PolarHBondContact O-N 2.91Å; G262-L266 WeakPolarHBondContact O-CG 3.3Å; G262-L266 PolarHBondContact O-N 3.46Å
263L92.9Very high88.4Confident60 Ų6059 Ų5931%0.31429%0.293SS..Hα-helixtrans-61.7-43.3174.7-174.461.9000112.4L234 A238 L259 T260 F261 C265 L266 C267L234-L263 HydrophobicContact CD1-CD2 4.1Å; L234-L263 HydrophobicContact CD2-CD1 3.88Å; L234-L263 HydrophobicContact CG-CD1 4.07Å; L234-L263 HydrophobicContact CG-CD2 4.25Å; L234-L263 HydrophobicContact CG-CG 4.34Å; A238-L263 HydrophobicContact CB-CD2 4.03Å; A238-L263 HydrophobicContact CB-CG 4.33Å; L259-L263 PolarHBondContact O-N 2.88Å; T260-L263 WeakPolarHBondContact O-CB 3.37Å; T260-L263 PolarHBondContact O-N 3.03Å; F261-L263 VanDerWaalsContact C-N 3.28Å; F261-L263 PolarHBondContact O-N 3.15Å; L263-C265 VanDerWaalsContact C-N 3.31Å; L263-C265 PolarHBondContact O-N 3.27Å; L263-L266 PolarHBondContact O-N 3.44Å; L263-C267 PolarHBondContact O-N 2.87Å; L263-C267 PolarHBondContact O-SG 3.14Å
264I91.5Very high88.5Confident3 Ų362.5 Ų62.52%0.01531%0.312CS..Hα-helixtrans-59.1-44.2174.5-69.5167.4000110.3A238 Q242 T260 F261 G262 N268A238-I264 HydrophobicContact CB-CD1 4.31Å; A238-I264 HydrophobicContact CB-CG1 3.64Å; Q242-I264 HydrophobicContact CG-CD1 4.12Å; T260-I264 WeakPolarHBondContact O-CG1 3.49Å; T260-I264 PolarHBondContact O-N 3.4Å; F261-I264 WeakPolarHBondContact O-CB 3.22Å; F261-I264 PolarHBondContact O-N 3.5Å; G262-I264 PolarHBondContact O-N 3.19Å; I264-N268 VanDerWaalsContact O-CB 3.29Å; I264-N268 WeakPolarHBondContact O-CB 3.46Å; I264-N268 PolarHBondContact O-N 2.99Å; I264-N268 PolarHBondContact O-ND2 3.49Å
265C91.9Very high88.8Confident32 Ų3260.3 Ų60.322%0.21630%0.299CS..Hα-helixtrans-63.6-44.3178-64.20000111.7F261 G262 L263 N268 M269F261-C265 VanDerWaalsContact CE2-SG 3.6Å; F261-C265 WeakPolarHBondContact CZ-SG 3.32Å; F261-C265 PolarHBondContact O-N 3.37Å; F261-C265 PolarHBondContact O-SG 3.29Å; G262-C265 WeakPolarHBondContact O-CB 3.28Å; G262-C265 PolarHBondContact O-N 2.91Å; L263-C265 VanDerWaalsContact C-N 3.31Å; L263-C265 PolarHBondContact O-N 3.27Å; C265-N268 PolarHBondContact O-N 2.92Å; C265-M269 WeakPolarHBondContact O-CB 3.49Å; C265-M269 VanDerWaalsContact O-CG 3.25Å; C265-M269 WeakPolarHBondContact O-CG 3.17Å; C265-M269 PolarHBondContact O-N 3.3Å
266L91.9Very high88.8Confident122 Ų12261.1 Ų61.164%0.63930%0.301SS*.Hα-helixtrans-63.1-45.8178.3-71.6171.3000112.1G262 L263 N268 M269 Y270G262-L266 WeakPolarHBondContact O-CG 3.3Å; G262-L266 PolarHBondContact O-N 3.46Å; L263-L266 PolarHBondContact O-N 3.44Å; L266-N268 VanDerWaalsContact C-N 3.28Å; L266-N268 PolarHBondContact O-N 3.49Å; L266-M269 PolarHBondContact O-N 3.31Å; L266-Y270 WeakPolarHBondContact O-CB 3.49Å; L266-Y270 PolarHBondContact O-N 2.97Å
267C89.9Confident88.7Confident7 Ų764.3 Ų64.35%0.04732%0.321CS..Hα-helixtrans-61.4-39.2175.5-65.60000111.7L263 L271L263-C267 PolarHBondContact O-N 2.87Å; L263-C267 PolarHBondContact O-SG 3.14Å; C267-L271 WeakPolarHBondContact O-CB 3.25Å; C267-L271 WeakPolarHBondContact O-CD1 3.29Å; C267-L271 WeakPolarHBondContact O-CG 3.38Å; C267-L271 PolarHBondContact O-N 3.31Å; C267-L271 VanDerWaalsContact O-N 3.09Å
268N88.6Confident88.5Confident2 Ų273.8 Ų73.81%0.01136%0.357CS..Hα-helixtrans-70.8-39.8179-88.1-81.4000112.4I264 C265 L266 Y270 L271 Y272 R275 L280 H283 V284I264-N268 VanDerWaalsContact O-CB 3.29Å; I264-N268 WeakPolarHBondContact O-CB 3.46Å; I264-N268 PolarHBondContact O-N 2.99Å; I264-N268 PolarHBondContact O-ND2 3.49Å; C265-N268 PolarHBondContact O-N 2.92Å; L266-N268 VanDerWaalsContact C-N 3.28Å; L266-N268 PolarHBondContact O-N 3.49Å; N268-Y270 VanDerWaalsContact C-N 3.35Å; N268-L271 CarbonylContact O-C 3.56Å; N268-L271 PolarHBondContact O-N 3.04Å; N268-Y272 PolarHBondContact O-N 3.21Å; N268-R275 PolarHBondContact OD1-NH1 3.09Å; N268-L280 HydrophobicContact CB-CD1 3.61Å; N268-L280 WeakPolarHBondContact O-CD1 3.47Å; N268-H283 VanDerWaalsContact OD1-CB 3.3Å; N268-H283 WeakPolarHBondContact OD1-CB 3.21Å; N268-V284 HydrophobicContact CB-CG2 4.44Å
269M88.8Confident88.3Confident128 Ų12873 Ų7363%0.63135%0.354SS*.Hα-helixtrans-63.5-39.9173.2-76-71.5-66.800111.5C265 L266 L271 Y272C265-M269 WeakPolarHBondContact O-CB 3.49Å; C265-M269 VanDerWaalsContact O-CG 3.25Å; C265-M269 WeakPolarHBondContact O-CG 3.17Å; C265-M269 PolarHBondContact O-N 3.3Å; L266-M269 PolarHBondContact O-N 3.31Å; M269-L271 VanDerWaalsContact C-N 3.28Å; M269-L271 PolarHBondContact O-N 3.38Å; M269-Y272 WeakPolarHBondContact O-CB 3.47Å; M269-Y272 WeakPolarHBondContact O-CD1 3.42Å; M269-Y272 PolarHBondContact O-N 2.93Å
270Y88.8Confident88.1Confident113 Ų11369 Ų6944%0.44333%0.333SS..Hα-helixtrans-67.7-31176.4-169.7-102.3000112.4S227 Y228 A231 L266 N268 Y272S227-Y270 WeakPolarHBondContact CB-OH 3.3Å; Y228-Y270 HydrophobicContact CD1-CD1 4.19Å; Y228-Y270 AromaticContact CD1-CE1 3.8Å; Y228-Y270 HydrophobicContact CD1-CE1 3.8Å; Y228-Y270 HydrophobicContact CE1-CD1 4.43Å; Y228-Y270 HydrophobicContact CE1-CE1 4.01Å; A231-Y270 HydrophobicContact CB-CD1 3.68Å; A231-Y270 HydrophobicContact CB-CE1 4.3Å; L266-Y270 WeakPolarHBondContact O-CB 3.49Å; L266-Y270 PolarHBondContact O-N 2.97Å; N268-Y270 VanDerWaalsContact C-N 3.35Å; Y270-Y272 VanDerWaalsContact C-N 3.32Å; Y270-Y272 PolarHBondContact O-N 3.42Å
271L86.3Confident88Confident0 Ų075.1 Ų75.10%036%0.359CS..THydrogen-bonded Turntrans-91.819.2178.5-66.3170000113.4Y228 A231 F232 C267 N268 M269 E273 L274 R275Y228-L271 HydrophobicContact CD1-CD2 3.85Å; Y228-L271 HydrophobicContact CG-CD2 4.46Å; A231-L271 HydrophobicContact CB-CD1 4.03Å; A231-L271 HydrophobicContact CB-CD2 3.99Å; A231-L271 HydrophobicContact CB-CG 3.89Å; F232-L271 HydrophobicContact CD1-CD1 3.7Å; F232-L271 HydrophobicContact CD2-CD1 4.43Å; F232-L271 HydrophobicContact CD2-CD2 4.05Å; F232-L271 HydrophobicContact CE1-CD1 3.72Å; F232-L271 HydrophobicContact CE1-CD2 4.29Å; F232-L271 HydrophobicContact CE2-CD1 4.43Å; F232-L271 HydrophobicContact CE2-CD2 3.66Å; F232-L271 HydrophobicContact CG-CD1 4.06Å; F232-L271 HydrophobicContact CG-CD2 4.49Å; F232-L271 HydrophobicContact CZ-CD1 4.08Å; F232-L271 HydrophobicContact CZ-CD2 3.79Å; F232-L271 HydrophobicContact CZ-CG 4.49Å; C267-L271 WeakPolarHBondContact O-CB 3.25Å; C267-L271 WeakPolarHBondContact O-CD1 3.29Å; C267-L271 WeakPolarHBondContact O-CG 3.38Å; C267-L271 PolarHBondContact O-N 3.31Å; C267-L271 VanDerWaalsContact O-N 3.09Å; N268-L271 CarbonylContact O-C 3.56Å; N268-L271 PolarHBondContact O-N 3.04Å; M269-L271 VanDerWaalsContact C-N 3.28Å; M269-L271 PolarHBondContact O-N 3.38Å; L271-E273 VanDerWaalsContact C-N 3.29Å; L271-E273 PolarHBondContact O-N 3.38Å; L271-L274 HydrophobicContact CD2-CD1 3.9Å; L271-L274 PolarHBondContact O-N 2.93Å; L271-R275 HydrophobicContact CB-CG 4.33Å; L271-R275 VanDerWaalsContact CD1-NH2 3.33Å; L271-R275 WeakPolarHBondContact O-CB 3.38Å; L271-R275 WeakPolarHBondContact O-CG 3.47Å; L271-R275 PolarHBondContact O-N 3.32Å
272Y86Confident87.9Confident140 Ų14076.4 Ų76.455%0.54937%0.365SS..SBendtrans-63.1-33.8-173.482.4-80.7000113.1N268 M269 Y270 L274 R275N268-Y272 PolarHBondContact O-N 3.21Å; M269-Y272 WeakPolarHBondContact O-CB 3.47Å; M269-Y272 WeakPolarHBondContact O-CD1 3.42Å; M269-Y272 PolarHBondContact O-N 2.93Å; Y270-Y272 VanDerWaalsContact C-N 3.32Å; Y270-Y272 PolarHBondContact O-N 3.42Å; Y272-L274 VanDerWaalsContact C-N 3.31Å; Y272-L274 PolarHBondContact O-N 3.22Å; Y272-R275 PolarHBondContact O-N 3.37Å; Y272-R275 VanDerWaalsContact O-O 3.07Å
273E83.3Confident87.8Confident126 Ų12675.2 Ų75.259%0.58935%0.351SS*.THydrogen-bonded Turntrans-71.4-28.7179.3-59.9-174.5177.400112.3L271L271-E273 VanDerWaalsContact C-N 3.29Å; L271-E273 PolarHBondContact O-N 3.38Å
274L81.6Confident87.8Confident89 Ų8974.5 Ų74.547%0.46635%0.349SS..THydrogen-bonded Turntrans-93.2-2.5-177.7-67.6166.5000113.1Y228 F232 L271 Y272Y228-L274 HydrophobicContact CD1-CD1 3.57Å; Y228-L274 HydrophobicContact CD2-CD1 3.96Å; Y228-L274 HydrophobicContact CE1-CD1 4.06Å; Y228-L274 HydrophobicContact CE2-CD1 4.43Å; Y228-L274 HydrophobicContact CG-CD1 3.5Å; F232-L274 HydrophobicContact CE2-CD1 4.2Å; F232-L274 HydrophobicContact CZ-CD1 4.45Å; L271-L274 HydrophobicContact CD2-CD1 3.9Å; L271-L274 PolarHBondContact O-N 2.93Å; Y272-L274 VanDerWaalsContact C-N 3.31Å; Y272-L274 PolarHBondContact O-N 3.22Å
275R83.5Confident87.8Confident15 Ų1577.4 Ų77.46%0.05737%0.367CS..SBendtrans-126.5136.7-174.4-68.1179.6-174.7-130.2-11111.3N207 N268 L271 Y272 H283N207-R275 PolarHBondContact OD1-NH1 3.48Å; N207-R275 PolarHBondContact OD1-NH2 3.33Å; N268-R275 PolarHBondContact OD1-NH1 3.09Å; L271-R275 HydrophobicContact CB-CG 4.33Å; L271-R275 VanDerWaalsContact CD1-NH2 3.33Å; L271-R275 WeakPolarHBondContact O-CB 3.38Å; L271-R275 WeakPolarHBondContact O-CG 3.47Å; L271-R275 PolarHBondContact O-N 3.32Å; Y272-R275 PolarHBondContact O-N 3.37Å; Y272-R275 VanDerWaalsContact O-O 3.07Å; R275-H283 PolarHBondContact NH1-CD2 2.84Å; R275-H283 PolarHBondContact NH1-NE2 3.2Å
276N86.1Confident87.8Confident92 Ų9276.3 Ų76.349%0.49236%0.359SS..  trans-66.3147.4167.5-168.5-11.2000109.8W278 Q279 L280N276-W278 PolarHBondContact O-N 2.69Å; N276-W278 VanDerWaalsContact O-N 3.14Å; N276-Q279 HydrophobicContact CB-CG 4.32Å; N276-Q279 WeakPolarHBondContact O-CA 3.4Å; N276-Q279 WeakPolarHBondContact O-CB 3.46Å; N276-Q279 PolarHBondContact O-N 2.93Å; N276-L280 PolarHBondContact O-N 3.46Å
277L85.2Confident87.7Confident136 Ų13670.6 Ų70.671%0.71233%0.33SS*.Hα-helixtrans-49.4-39.7175.8-72.2167.2000112.5Q279 L280 F281L277-Q279 VanDerWaalsContact C-N 3.34Å; L277-Q279 PolarHBondContact O-N 3.28Å; L277-L280 WeakPolarHBondContact O-CB 3.34Å; L277-L280 PolarHBondContact O-N 3.09Å; L277-F281 WeakPolarHBondContact O-CB 3.36Å; L277-F281 PolarHBondContact O-N 3.5Å
278W85.7Confident87.8Confident199 Ų19972.1 Ų72.175%0.75434%0.343SS*.Hα-helixtrans-64.1-36.2176.3-70.1108.2000113.5N276 F282N276-W278 PolarHBondContact O-N 2.69Å; N276-W278 VanDerWaalsContact O-N 3.14Å; W278-F282 VanDerWaalsContact O-CB 3.3Å; W278-F282 WeakPolarHBondContact O-CB 3.2Å; W278-F282 PolarHBondContact O-N 3.31Å
279Q85.5Confident87.9Confident63 Ų6375.1 Ų75.129%0.29436%0.356SS..Hα-helixtrans-74.4-41.2178-65170.8-2.800110.5R210 N276 L277 F281 F282 H283R210-Q279 VanDerWaalsContact CZ-OE1 3.28Å; N276-Q279 HydrophobicContact CB-CG 4.32Å; N276-Q279 WeakPolarHBondContact O-CA 3.4Å; N276-Q279 WeakPolarHBondContact O-CB 3.46Å; N276-Q279 PolarHBondContact O-N 2.93Å; L277-Q279 VanDerWaalsContact C-N 3.34Å; L277-Q279 PolarHBondContact O-N 3.28Å; Q279-F281 VanDerWaalsContact C-N 3.34Å; Q279-F281 PolarHBondContact O-N 3.08Å; Q279-F282 WeakPolarHBondContact O-CB 3.38Å; Q279-F282 PolarHBondContact O-N 2.95Å; Q279-H283 PolarHBondContact O-CD2 3.28Å; Q279-H283 PolarHBondContact O-N 3.24Å
280L86.4Confident87.9Confident38 Ų3869.2 Ų69.220%0.19933%0.327CS..Hα-helixtrans-56-51.2172.9-171.477.2000110.5N268 N276 L277 F282 H283 V284N268-L280 HydrophobicContact CB-CD1 3.61Å; N268-L280 WeakPolarHBondContact O-CD1 3.47Å; N276-L280 PolarHBondContact O-N 3.46Å; L277-L280 WeakPolarHBondContact O-CB 3.34Å; L277-L280 PolarHBondContact O-N 3.09Å; L280-F282 VanDerWaalsContact C-N 3.33Å; L280-F282 PolarHBondContact O-N 3.19Å; L280-H283 PolarHBondContact O-N 2.94Å; L280-V284 WeakPolarHBondContact O-CG2 3.47Å; L280-V284 PolarHBondContact O-N 3.39Å
281F88.9Confident88Confident138 Ų13864 Ų6461%0.60531%0.308SS*.Hα-helixtrans-60.7-41.8178.1-171.9-100000112.1L277 Q279 T285L277-F281 WeakPolarHBondContact O-CB 3.36Å; L277-F281 PolarHBondContact O-N 3.5Å; Q279-F281 VanDerWaalsContact C-N 3.34Å; Q279-F281 PolarHBondContact O-N 3.08Å; F281-T285 WeakPolarHBondContact CE1-OG1 3.47Å; F281-T285 WeakPolarHBondContact O-CB 3.39Å; F281-T285 PolarHBondContact O-N 3.35Å; F281-T285 PolarHBondContact O-OG1 3.18Å
282F91.1Very high88.1Confident72 Ų7268.2 Ų68.232%0.31633%0.329SS..Hα-helixtrans-59.4-51.9176.2176.1-104000112.1L199 L202 C203 L206 W278 Q279 L280 V284 T285 V286L199-F282 HydrophobicContact CD2-CE2 4.4Å; L199-F282 HydrophobicContact CD2-CZ 4.31Å; L202-F282 HydrophobicContact CD2-CZ 4.4Å; C203-F282 WeakPolarHBondContact SG-CE1 3.42Å; L206-F282 HydrophobicContact CD1-CE1 4.42Å; W278-F282 VanDerWaalsContact O-CB 3.3Å; W278-F282 WeakPolarHBondContact O-CB 3.2Å; W278-F282 PolarHBondContact O-N 3.31Å; Q279-F282 WeakPolarHBondContact O-CB 3.38Å; Q279-F282 PolarHBondContact O-N 2.95Å; L280-F282 VanDerWaalsContact C-N 3.33Å; L280-F282 PolarHBondContact O-N 3.19Å; F282-V284 PolarHBondContact O-N 3.06Å; F282-T285 PolarHBondContact O-N 3.31Å; F282-V286 HydrophobicContact CD2-CG2 4.17Å; F282-V286 HydrophobicContact CE1-CG2 4.34Å; F282-V286 HydrophobicContact CE2-CG2 3.84Å; F282-V286 HydrophobicContact CZ-CG2 3.93Å; F282-V286 WeakPolarHBondContact O-CB 3.2Å; F282-V286 VanDerWaalsContact O-CG2 3.28Å; F282-V286 WeakPolarHBondContact O-CG2 3.38Å; F282-V286 PolarHBondContact O-N 3.48Å
283H90.5Very high88.1Confident5 Ų562.4 Ų62.42%0.02331%0.307CS..Hα-helixtrans-64.2-40.1-178.9-79.9-79.7000112.8C203 N207 N268 R275 Q279 L280 G287C203-H283 PolarHBondContact SG-ND1 3.3Å; C203-H283 VanDerWaalsContact SG-ND1 3.35Å; N207-H283 PolarHBondContact OD1-CE1 3.09Å; N207-H283 VanDerWaalsContact OD1-CE1 3.31Å; N268-H283 VanDerWaalsContact OD1-CB 3.3Å; N268-H283 WeakPolarHBondContact OD1-CB 3.21Å; R275-H283 PolarHBondContact NH1-CD2 2.84Å; R275-H283 PolarHBondContact NH1-NE2 3.2Å; Q279-H283 PolarHBondContact O-CD2 3.28Å; Q279-H283 PolarHBondContact O-N 3.24Å; L280-H283 PolarHBondContact O-N 2.94Å; H283-G287 PolarHBondContact O-N 2.93Å
284V92.7Very high88.2Confident45 Ų4556.4 Ų56.427%0.27328%0.279SS..Hα-helixtrans-68-43.4176.8174.20000110.8F261 N268 L280 F282 G287 A288F261-V284 HydrophobicContact CE2-CG1 4.39Å; F261-V284 WeakPolarHBondContact CE2-O 3.15Å; F261-V284 HydrophobicContact CZ-CG1 4.29Å; N268-V284 HydrophobicContact CB-CG2 4.44Å; L280-V284 WeakPolarHBondContact O-CG2 3.47Å; L280-V284 PolarHBondContact O-N 3.39Å; F282-V284 PolarHBondContact O-N 3.06Å; V284-G287 PolarHBondContact O-N 3.13Å; V284-A288 WeakPolarHBondContact O-CB 3.49Å; V284-A288 PolarHBondContact O-N 3Å
285T91Very high88.2Confident63 Ų6357.9 Ų57.939%0.38728%0.279SS..Hα-helixtrans-64.7-43.3179.3-59.20000111.5F281 F282 A288 F289F281-T285 WeakPolarHBondContact CE1-OG1 3.47Å; F281-T285 WeakPolarHBondContact O-CB 3.39Å; F281-T285 PolarHBondContact O-N 3.35Å; F281-T285 PolarHBondContact O-OG1 3.18Å; F282-T285 PolarHBondContact O-N 3.31Å; T285-A288 PolarHBondContact O-N 2.89Å; T285-F289 VanDerWaalsContact O-CB 3.28Å; T285-F289 WeakPolarHBondContact O-CB 3.1Å; T285-F289 PolarHBondContact O-N 3.24Å
286V91.8Very high88.1Confident9 Ų962.2 Ų62.26%0.05530%0.302CS..Hα-helixtrans-64.3-42.9175.6171.70000111.1L199 F282 A288 F289 S290L199-V286 HydrophobicContact CB-CG1 3.81Å; L199-V286 HydrophobicContact CB-CG2 4.07Å; L199-V286 HydrophobicContact CD1-CG2 4.49Å; F282-V286 HydrophobicContact CD2-CG2 4.17Å; F282-V286 HydrophobicContact CE1-CG2 4.34Å; F282-V286 HydrophobicContact CE2-CG2 3.84Å; F282-V286 HydrophobicContact CZ-CG2 3.93Å; F282-V286 WeakPolarHBondContact O-CB 3.2Å; F282-V286 VanDerWaalsContact O-CG2 3.28Å; F282-V286 WeakPolarHBondContact O-CG2 3.38Å; F282-V286 PolarHBondContact O-N 3.48Å; V286-A288 VanDerWaalsContact C-N 3.34Å; V286-A288 PolarHBondContact O-N 3.18Å; V286-F289 PolarHBondContact O-N 2.95Å; V286-S290 WeakPolarHBondContact O-CB 3.3Å; V286-S290 PolarHBondContact O-N 3.05Å; V286-S290 PolarHBondContact O-OG 3.38Å
287G90.1Very high87.5Confident2 Ų259.5 Ų59.52%0.02129%0.285CS..Hα-helixtrans-61.9-39.917600000112.9Q242 H283 V284 T291Q242-G287 PolarHBondContact NE2-O 3.22Å; Q242-G287 VanDerWaalsContact NE2-O 3.13Å; H283-G287 PolarHBondContact O-N 2.93Å; V284-G287 PolarHBondContact O-N 3.13Å; G287-T291 PolarHBondContact O-N 3.45Å; G287-T291 PolarHBondContact O-OG1 2.85Å
288A92.1Very high86.5Confident40 Ų4058.1 Ų58.133%0.33128%0.275SS..Hα-helixtrans-69.4-45.1177.400000111.5F261 V284 T285 V286 S290 T291 L292F261-A288 HydrophobicContact CE2-CB 3.71Å; F261-A288 VanDerWaalsContact CE2-N 3.25Å; F261-A288 HydrophobicContact CZ-CB 3.76Å; V284-A288 WeakPolarHBondContact O-CB 3.49Å; V284-A288 PolarHBondContact O-N 3Å; T285-A288 PolarHBondContact O-N 2.89Å; V286-A288 VanDerWaalsContact C-N 3.34Å; V286-A288 PolarHBondContact O-N 3.18Å; A288-S290 VanDerWaalsContact C-N 3.34Å; A288-S290 PolarHBondContact O-N 3.31Å; A288-T291 PolarHBondContact O-N 3.25Å; A288-L292 WeakPolarHBondContact O-CB 3.44Å; A288-L292 PolarHBondContact O-N 3.48Å
289F91.3Very high85.3Confident65 Ų6550.5 Ų50.529%0.28525%0.251SS..Hα-helixtrans-61.7-42.3176.7-174.7-117.6000111.3P192 T285 V286 L292 Q293P192-F289 HydrophobicContact CB-CZ 4.14Å; T285-F289 VanDerWaalsContact O-CB 3.28Å; T285-F289 WeakPolarHBondContact O-CB 3.1Å; T285-F289 PolarHBondContact O-N 3.24Å; V286-F289 PolarHBondContact O-N 2.95Å; F289-L292 WeakPolarHBondContact O-CB 3.41Å; F289-L292 PolarHBondContact O-N 2.87Å; F289-Q293 HydrophobicContact CE1-CG 4.27Å; F289-Q293 HydrophobicContact CE2-CG 4.4Å; F289-Q293 VanDerWaalsContact CE2-NE2 3.33Å; F289-Q293 HydrophobicContact CZ-CG 4.19Å; F289-Q293 WeakPolarHBondContact O-CG 3.43Å; F289-Q293 PolarHBondContact O-N 3.32Å
290S88.6Confident83.7Confident4 Ų453 Ų533%0.02826%0.263CS..Hα-helixtrans-64.2-42.5175.2-640000112.9S196 V286 A288 L292 Q293 I294S196-S290 WeakPolarHBondContact OG-CA 3.4Å; S196-S290 WeakPolarHBondContact OG-CB 3.36Å; S196-S290 PolarHBondContact OG-OG 3.48Å; V286-S290 WeakPolarHBondContact O-CB 3.3Å; V286-S290 PolarHBondContact O-N 3.05Å; V286-S290 PolarHBondContact O-OG 3.38Å; A288-S290 VanDerWaalsContact C-N 3.34Å; A288-S290 PolarHBondContact O-N 3.31Å; S290-L292 VanDerWaalsContact C-N 3.3Å; S290-L292 PolarHBondContact O-N 3.38Å; S290-Q293 PolarHBondContact O-N 3.09Å; S290-I294 WeakPolarHBondContact O-CD1 3.28Å; S290-I294 WeakPolarHBondContact O-CG1 3.25Å; S290-I294 PolarHBondContact O-N 3.21Å
291T89.9Confident81.6Confident4 Ų454 Ų543%0.02528%0.282CS..Hα-helixtrans-62.9-37.5173.1-68.80000112.4Q242 S257 F258 F261 G287 A288 I294 R295Q242-T291 PolarHBondContact NE2-OG1 3.46Å; S257-T291 PolarHBondContact O-OG1 3.44Å; S257-T291 WeakPolarHBondContact OG-CA 3.14Å; S257-T291 PolarHBondContact OG-OG1 3.03Å; F258-T291 HydrophobicContact CD1-CG2 4.37Å; F258-T291 HydrophobicContact CD2-CG2 4.47Å; F258-T291 HydrophobicContact CE1-CG2 4.01Å; F258-T291 HydrophobicContact CE2-CG2 4.03Å; F258-T291 HydrophobicContact CZ-CG2 3.75Å; F261-T291 WeakPolarHBondContact CB-OG1 3.37Å; G287-T291 PolarHBondContact O-N 3.45Å; G287-T291 PolarHBondContact O-OG1 2.85Å; A288-T291 PolarHBondContact O-N 3.25Å; T291-I294 PolarHBondContact O-N 3.38Å; T291-R295 WeakPolarHBondContact O-CB 3.46Å; T291-R295 WeakPolarHBondContact O-CG 3.44Å; T291-R295 PolarHBondContact O-N 2.98Å
292L87.9Confident79.5Confident88 Ų8854.2 Ų54.246%0.46128%0.283SS..Hα-helixtrans-63.9-45.9174.1-178.663.7000111.2A288 F289 S290 I294 R295 L296A288-L292 WeakPolarHBondContact O-CB 3.44Å; A288-L292 PolarHBondContact O-N 3.48Å; F289-L292 WeakPolarHBondContact O-CB 3.41Å; F289-L292 PolarHBondContact O-N 2.87Å; S290-L292 VanDerWaalsContact C-N 3.3Å; S290-L292 PolarHBondContact O-N 3.38Å; L292-I294 PolarHBondContact O-N 3.43Å; L292-R295 WeakPolarHBondContact O-CB 3.45Å; L292-R295 PolarHBondContact O-N 3.38Å; L292-L296 HydrophobicContact CD1-CD1 4.09Å; L292-L296 HydrophobicContact CD1-CG 4.14Å; L292-L296 HydrophobicContact CD2-CD1 4.49Å; L292-L296 HydrophobicContact CG-CD1 3.86Å; L292-L296 HydrophobicContact CG-CG 4.31Å; L292-L296 WeakPolarHBondContact O-CB 3.43Å; L292-L296 VanDerWaalsContact O-CG 3.26Å; L292-L296 WeakPolarHBondContact O-CG 3.41Å; L292-L296 PolarHBondContact O-N 2.73Å
293Q86.9Confident76.8Confident17 Ų1754.5 Ų54.58%0.07929%0.294CS..Hα-helixtrans-64.7-37.8177-65.7-55.5-32.900112.3F246 F289 S290 R295 L296 R297F246-Q293 HydrophobicContact CD2-CB 4.47Å; F246-Q293 HydrophobicContact CE2-CB 4.03Å; F289-Q293 HydrophobicContact CE1-CG 4.27Å; F289-Q293 HydrophobicContact CE2-CG 4.4Å; F289-Q293 VanDerWaalsContact CE2-NE2 3.33Å; F289-Q293 HydrophobicContact CZ-CG 4.19Å; F289-Q293 WeakPolarHBondContact O-CG 3.43Å; F289-Q293 PolarHBondContact O-N 3.32Å; S290-Q293 PolarHBondContact O-N 3.09Å; Q293-R295 VanDerWaalsContact C-N 3.31Å; Q293-R295 PolarHBondContact O-N 3.46Å; Q293-L296 PolarHBondContact O-N 3.28Å; Q293-R297 VanDerWaalsContact O-CB 3.24Å; Q293-R297 WeakPolarHBondContact O-CB 3.37Å; Q293-R297 PolarHBondContact O-N 3.04Å
294I84.4Confident74.1Confident1 Ų160 Ų601%0.00533%0.33CS..Hα-helixtrans-63.5-37.9173.8-66.9162.2000111Q242 L245 F246 R253 S257 S290 T291 L292Q242-I294 HydrophobicContact CB-CD1 4.26Å; Q242-I294 WeakPolarHBondContact O-CD1 3.37Å; L245-I294 HydrophobicContact CB-CD1 4.18Å; F246-I294 HydrophobicContact CB-CD1 4.45Å; F246-I294 HydrophobicContact CB-CG1 3.97Å; F246-I294 HydrophobicContact CD2-CG1 3.98Å; R253-I294 HydrophobicContact CG-CG2 3.74Å; R253-I294 PolarHBondContact NE-O 2.91Å; R253-I294 PolarHBondContact NH2-O 3.44Å; S257-I294 WeakPolarHBondContact OG-CD1 3.5Å; S290-I294 WeakPolarHBondContact O-CD1 3.28Å; S290-I294 WeakPolarHBondContact O-CG1 3.25Å; S290-I294 PolarHBondContact O-N 3.21Å; T291-I294 PolarHBondContact O-N 3.38Å; L292-I294 PolarHBondContact O-N 3.43Å
295R83.3Confident71.5Confident120 Ų12064 Ų6445%0.45335%0.35SS..Hα-helixtrans-68.6-45.4175.4-80.4-114.5-99.2-153.4-9.5112.5F258 T291 L292 Q293 R297F258-R295 HydrophobicContact CE2-CG 4.02Å; F258-R295 HydrophobicContact CZ-CG 4.48Å; F258-R295 VanDerWaalsContact CZ-NE 3.34Å; T291-R295 WeakPolarHBondContact O-CB 3.46Å; T291-R295 WeakPolarHBondContact O-CG 3.44Å; T291-R295 PolarHBondContact O-N 2.98Å; L292-R295 WeakPolarHBondContact O-CB 3.45Å; L292-R295 PolarHBondContact O-N 3.38Å; Q293-R295 VanDerWaalsContact C-N 3.31Å; Q293-R295 PolarHBondContact O-N 3.46Å; R295-R297 VanDerWaalsContact C-N 3.34Å
296L79.8Confident68.8Low105 Ų10568 Ų6855%0.5536%0.359SS..Hα-helixtrans-70.4-30-178-69.1174.9000112.4L292 Q293 Q298L292-L296 HydrophobicContact CD1-CD1 4.09Å; L292-L296 HydrophobicContact CD1-CG 4.14Å; L292-L296 HydrophobicContact CD2-CD1 4.49Å; L292-L296 HydrophobicContact CG-CD1 3.86Å; L292-L296 HydrophobicContact CG-CG 4.31Å; L292-L296 WeakPolarHBondContact O-CB 3.43Å; L292-L296 VanDerWaalsContact O-CG 3.26Å; L292-L296 WeakPolarHBondContact O-CG 3.41Å; L292-L296 PolarHBondContact O-N 2.73Å; Q293-L296 PolarHBondContact O-N 3.28Å; L296-Q298 PolarHBondContact O-N 2.93Å
297R73.7Confident65.9Low35 Ų3575.4 Ų75.413%0.13240%0.398CS..SBendtrans-74.983.1179.9-169.3175.9-170.9-142.6-0.4111.3L186 E187 F246 R253 Q293 R295L186-R297 HydrophobicContact CB-CG 4.4Å; E187-R297 VanDerWaalsContact O-CZ 3.27Å; E187-R297 PolarHBondContact O-NE 3.44Å; E187-R297 PolarHBondContact O-NH2 3.28Å; F246-R297 PolarHBondContact O-NH1 3.02Å; R253-R297 PolarHBondContact NH1-O 3.01Å; R253-R297 PolarHBondContact NH2-O 3.35Å; Q293-R297 VanDerWaalsContact O-CB 3.24Å; Q293-R297 WeakPolarHBondContact O-CB 3.37Å; Q293-R297 PolarHBondContact O-N 3.04Å; R295-R297 VanDerWaalsContact C-N 3.34Å
298Q64.9Low63.3Low108 Ų10885.9 Ų85.951%0.50546%0.461SS..  trans-61.3149-179.7-65.5-67.2-1400111.8L296 Q300L296-Q298 PolarHBondContact O-N 2.93Å; Q298-Q300 PolarHBondContact O-N 2.94Å
299P60.7Low61.9Low39 Ų3988.2 Ų88.225%0.25347%0.468SS..BIsolated β-bridgetrans-58.2135.7161.126.7-30.4000107.7L186 Y249 G301L186-P299 HydrophobicContact CD2-CB 4.31Å; Y249-P299 HydrophobicContact CD2-CB 4.26Å; Y249-P299 HydrophobicContact CE2-CB 4.07Å; Y249-P299 HydrophobicContact CE2-CG 4.49Å; P299-G301 PolarHBondContact O-N 3.5Å
300Q51Low60.3Low115 Ų11589.4 Ų89.454%0.53748%0.477SS..  trans-51.2113.9-178.5-167173.829.700108.2R185 Q298R185-Q300 WeakPolarHBondContact O-CB 3.49Å; R185-Q300 PolarHBondContact O-N 3.48Å; Q298-Q300 PolarHBondContact O-N 2.94Å
301G42Very low58.8Low58 Ų5894.1 Ų94.160%0.59850%0.502SS*.PPolyproline II helixtrans-56.5143.9-174.100000110P299 S303P299-G301 PolarHBondContact O-N 3.5Å; G301-S303 PolarHBondContact O-N 3.42Å
302K45.6Very low56.9Low143 Ų14399.4 Ų99.462%0.62253%0.53SS*.PPolyproline II helixtrans-52.6133.5157-81.5176169.3-173.90106.6Y306K302-Y306 HydrophobicContact CB-CD2 4.33Å; K302-Y306 HydrophobicContact CB-CE2 4.5Å; K302-Y306 HydrophobicContact CD-CD2 3.98Å; K302-Y306 HydrophobicContact CD-CE2 3.68Å; K302-Y306 HydrophobicContact CG-CE2 4.36Å
303S34.7Very low55Low79 Ų79100.1 Ų100.155%0.55254%0.535SS*.PPolyproline II helixtrans-46.6135.4172.545.30000109.7G301 D305G301-S303 PolarHBondContact O-N 3.42Å; S303-D305 VanDerWaalsContact C-N 3.28Å; S303-D305 PolarHBondContact O-N 3.33Å
304P33.4Very low52.9Low121 Ų121105.7 Ų105.779%0.78657%0.565SS**SBendtrans-71.389.4-179.829.7-31.2000108.1
305D38.4Very low50.6Low127 Ų127113.1 Ų113.168%0.67961%0.605SS**  trans-163.755.6157.5-85.5-30.8000107.3I107 S303I107-D305 HydrophobicContact CD1-CB 4.16Å; S303-D305 VanDerWaalsContact C-N 3.28Å; S303-D305 PolarHBondContact O-N 3.33Å
306Y35.2Very low48.1Very low149 Ų149112.6 Ų112.658%0.58462%0.617SS**  trans-117.181.8170.5-103.3-85.9000107.6K302K302-Y306 HydrophobicContact CB-CD2 4.33Å; K302-Y306 HydrophobicContact CB-CE2 4.5Å; K302-Y306 HydrophobicContact CD-CD2 3.98Å; K302-Y306 HydrophobicContact CD-CE2 3.68Å; K302-Y306 HydrophobicContact CG-CE2 4.36Å
307N30.3Very low45.5Very low163 Ų163113.3 Ų113.387%0.87262%0.622SS**  trans-151.194.1156-87-34.1000106.4
308V35.5Very low42.9Very low222 Ų222120.4 Ų120.4100%1.34567%0.667SS**  trans1710130.81790000106.6

Retrieved 308 of 308 residues in 700.6 ms (Link to these results)

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