A0A087YI33_POEFO Loading...

Metaxin

AlphaFold DB , UniProt , Accession A0A087YI33, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 314 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
1M49.5Very low85.4Confident243 Ų24362.9 Ų62.9100%1.19739%0.385SS*.  0126.70-161.5178.5-84.100106.1A3M1-A3 PolarHBondContact O-N 3.47Å
2A64.4Low86Confident100 Ų10060.6 Ų60.683%0.82638%0.383SS*.PPolyproline II helixtrans-61.5133.9177.300000108.7A4A2-A4 PolarHBondContact O-N 2.83Å
3A78.3Confident86.7Confident56 Ų5661 Ų6146%0.46338%0.381SS..PPolyproline II helixtrans-59136.2179.200000109.7M1 M5M1-A3 PolarHBondContact O-N 3.47Å; A3-M5 PolarHBondContact O-N 3.06Å
4A88.9Confident87.2Confident88 Ų8859.5 Ų59.573%0.72737%0.365SS*.PPolyproline II helixtrans-65.5134.4176.400000109.4A2A2-A4 PolarHBondContact O-N 2.83Å
5M94.5Very high87.6Confident20 Ų2060.2 Ų60.210%0.09939%0.388CS..EExtended strand (participates in β ladder)trans-97.2120.6176.7-67.6-179.2-70.500109.5A3 L37 S38 L56 C58 L73 F78A3-M5 PolarHBondContact O-N 3.06Å; M5-L37 HydrophobicContact CB-CD2 3.47Å; M5-L37 VanDerWaalsContact CB-CD2 3.47Å; M5-L37 HydrophobicContact CE-CD2 4.13Å; M5-L37 HydrophobicContact CG-CD2 4.39Å; M5-L37 HydrophobicContact SD-CD2 4.15Å; M5-S38 PolarHBondContact O-N 2.98Å; M5-L56 HydrophobicContact CB-CD1 4.36Å; M5-C58 HydrophobicContact CG-CB 4.12Å; M5-L73 HydrophobicContact CE-CD2 4.45Å; M5-L73 HydrophobicContact SD-CD2 3.73Å; M5-F78 HydrophobicContact CE-CD2 4.02Å; M5-F78 HydrophobicContact CE-CE2 3.5Å; M5-F78 VanDerWaalsContact CE-CE2 3.5Å; M5-F78 HydrophobicContact CE-CZ 4.14Å; M5-F78 HydrophobicContact SD-CE2 4.5Å
6E95.6Very high88.1Confident62 Ų6256.9 Ų56.929%0.2937%0.367SS..EExtended strand (participates in β ladder)trans-111.4126.9177.5-172.2-169.4157.900109.6R8 S38 S40 L56 V57E6-R8 IonicContact OE1-NE 2.59Å; E6-R8 PolarHBondContact OE1-NE 3.23Å; E6-S38 CarbonylContact C-O 3.38Å; E6-S38 VanDerWaalsContact CA-O 3.29Å; E6-S38 WeakPolarHBondContact CA-O 3.47Å; E6-S40 WeakPolarHBondContact CG-OG 3.31Å; E6-S40 WeakPolarHBondContact OE1-CB 3.36Å; E6-S40 PolarHBondContact OE1-OG 3.38Å; E6-L56 CarbonylContact O-C 3.5Å; E6-L56 WeakPolarHBondContact O-CA 3.4Å; E6-V57 HydrophobicContact CB-CB 4.46Å; E6-V57 PolarHBondContact N-O 2.56Å; E6-V57 PolarHBondContact O-N 3.45Å
7L95.9Very high88.5Confident0 Ų056 Ų560%036%0.361CS..EExtended strand (participates in β ladder)trans-103.7113.7173.4-175.370.9000109.3C9 V26 L27 L37 S38 V39 S40 P54 L56L7-C9 HydrophobicContact CG-CB 4.5Å; L7-V26 HydrophobicContact CD1-CB 4.48Å; L7-V26 HydrophobicContact CD1-CG1 3.68Å; L7-V26 HydrophobicContact CD2-CB 4.28Å; L7-V26 HydrophobicContact CD2-CG1 3.77Å; L7-V26 HydrophobicContact CG-CG1 4.39Å; L7-L27 HydrophobicContact CD2-CD2 3.6Å; L7-L27 HydrophobicContact CD2-CG 3.83Å; L7-L37 HydrophobicContact CB-CD1 4.3Å; L7-L37 HydrophobicContact CD2-CD1 4.36Å; L7-S38 PolarHBondContact N-O 3.27Å; L7-V39 WeakPolarHBondContact O-CA 3.29Å; L7-S40 PolarHBondContact O-N 3.13Å; L7-P54 HydrophobicContact CD1-CB 3.93Å; L7-L56 HydrophobicContact CB-CD1 4.38Å; L7-L56 HydrophobicContact CD1-CB 4.37Å; L7-L56 HydrophobicContact CD1-CD1 4.25Å
8R95.1Very high88.8Confident91 Ų9152.9 Ų52.934%0.34334%0.341SS..EExtended strand (participates in β ladder)trans-89.2117.3171.1-69.2171.9-176.5170.90.3109.4E6 S40 V42 P54 E55E6-R8 IonicContact OE1-NE 2.59Å; E6-R8 PolarHBondContact OE1-NE 3.23Å; R8-S40 WeakPolarHBondContact CA-O 3.48Å; R8-S40 VanDerWaalsContact CG-OG 3.29Å; R8-S40 WeakPolarHBondContact CG-OG 3.4Å; R8-V42 HydrophobicContact CB-CG2 4.19Å; R8-P54 WeakPolarHBondContact O-CA 3.25Å; R8-E55 HydrophobicContact CB-CB 4.31Å; R8-E55 PolarHBondContact N-O 2.86Å; R8-E55 IonicContact NH1-OE2 3.45Å; R8-E55 PolarHBondContact NH1-OE2 2.9Å; R8-E55 PolarHBondContact O-N 2.98Å
9C94.3Very high89.1Confident1 Ų150.5 Ų50.51%0.00733%0.325CS..EExtended strand (participates in β ladder)trans-149.2176.9-179.865.70000113.5L7 S23 S40 P41 V42 P54L7-C9 HydrophobicContact CG-CB 4.5Å; C9-S23 WeakPolarHBondContact CB-OG 3.46Å; C9-S40 PolarHBondContact N-O 3.41Å; C9-S40 VanDerWaalsContact N-O 3.09Å; C9-P41 WeakPolarHBondContact O-CA 3.41Å; C9-V42 PolarHBondContact O-N 3.46Å; C9-V42 VanDerWaalsContact O-N 3.14Å; C9-P54 HydrophobicContact CB-CB 4.23Å
10W92.5Very high89.4Confident5 Ų549.8 Ų49.82%0.01932%0.317CS..PPolyproline II helixtrans-64.2145.6167.4-72.1103.5000110.5S18 H20 W44 W125 F126 R129 I138 L142W10-S18 WeakPolarHBondContact O-CB 3.28Å; W10-S18 PolarHBondContact O-OG 3.24Å; W10-H20 HydrophobicContact CB-CB 3.89Å; W10-H20 AromaticContact CD1-CG 3.68Å; W10-H20 HydrophobicContact CG-CB 4.05Å; W10-W44 HydrophobicContact CD2-CZ2 4.31Å; W10-W44 AromaticContact CE2-CZ2 3.53Å; W10-W44 AromaticContact CE3-NE1 3.99Å; W10-W44 HydrophobicContact CH2-CD2 4.42Å; W10-W44 AromaticContact CH2-CE2 3.39Å; W10-W44 AromaticContact CH2-CZ2 3.47Å; W10-W44 HydrophobicContact CH2-CZ2 3.47Å; W10-W44 VanDerWaalsContact CH2-CZ2 3.47Å; W10-W44 AromaticContact CH2-NE1 3.17Å; W10-W44 AromaticContact CZ2-CE2 3.54Å; W10-W44 AromaticContact CZ2-CH2 3.88Å; W10-W44 HydrophobicContact CZ2-CH2 3.88Å; W10-W44 AromaticContact CZ2-CZ2 3.06Å; W10-W44 HydrophobicContact CZ2-CZ2 3.06Å; W10-W44 AromaticContact CZ2-NE1 3.77Å; W10-W44 AromaticContact CZ3-CE2 3.98Å; W10-W44 HydrophobicContact CZ3-CZ2 4.25Å; W10-W44 AromaticContact CZ3-NE1 3.31Å; W10-W44 VanDerWaalsContact CZ3-NE1 3.31Å; W10-W125 HydrophobicContact CB-CH2 4.39Å; W10-W125 HydrophobicContact CD2-CZ3 4.44Å; W10-W125 HydrophobicContact CE3-CH2 4.46Å; W10-W125 AromaticContact CE3-CZ3 3.91Å; W10-W125 HydrophobicContact CE3-CZ3 3.91Å; W10-F126 AromaticContact CD2-CD1 3.84Å; W10-F126 HydrophobicContact CD2-CD1 3.84Å; W10-F126 AromaticContact CD2-CE1 3.62Å; W10-F126 HydrophobicContact CD2-CE1 3.62Å; W10-F126 AromaticContact CE2-CD1 3.71Å; W10-F126 AromaticContact CE2-CE1 3.57Å; W10-F126 AromaticContact CE3-CD1 3.82Å; W10-F126 HydrophobicContact CE3-CD1 3.82Å; W10-F126 HydrophobicContact CE3-CE1 4.01Å; W10-F126 HydrophobicContact CG-CE1 4.01Å; W10-F126 AromaticContact CH2-CD1 3.62Å; W10-F126 HydrophobicContact CH2-CD1 3.62Å; W10-F126 HydrophobicContact CH2-CE1 4.34Å; W10-F126 AromaticContact CZ2-CD1 3.61Å; W10-F126 HydrophobicContact CZ2-CD1 3.61Å; W10-F126 AromaticContact CZ2-CE1 3.96Å; W10-F126 HydrophobicContact CZ2-CE1 3.96Å; W10-F126 AromaticContact CZ3-CD1 3.71Å; W10-F126 HydrophobicContact CZ3-CD1 3.71Å; W10-F126 HydrophobicContact CZ3-CE1 4.35Å; W10-F126 AromaticContact NE1-CE1 3.88Å; W10-R129 HydrophobicContact CE3-CB 4.44Å; W10-R129 HydrophobicContact CZ3-CB 4Å; W10-I138 HydrophobicContact CH2-CG2 3.94Å; W10-I138 HydrophobicContact CZ2-CG2 4.13Å; W10-L142 HydrophobicContact CZ2-CD1 3.84Å
11G90.1Very high89.7Confident26 Ų2648.4 Ų48.427%0.26831%0.308SS..PPolyproline II helixtrans-71.9170.3178.700000113.6S18 V19 W125G11-S18 WeakPolarHBondContact O-CA 3.44Å; G11-V19 PolarHBondContact O-N 3.46Å; G11-W125 WeakPolarHBondContact O-CH2 3.46Å; G11-W125 WeakPolarHBondContact O-CZ2 3.32Å
12G93.1Very high92Very high35 Ų3538 Ų3836%0.36126%0.257SS..PPolyproline II helixtrans-78.8155.6177.600000114.5L16 P17 R129G12-L16 CarbonylContact C-O 3.58Å; G12-L16 WeakPolarHBondContact CA-O 3.46Å; G12-P17 VanDerWaalsContact CA-C 3.49Å; G12-P17 WeakPolarHBondContact CA-O 3.44Å; G12-P17 PolarHBondContact N-O 2.89Å; G12-R129 PolarHBondContact O-NH2 3.38Å
13D94.5Very high93.5Very high66 Ų6633.2 Ų33.235%0.35322%0.218SC..BIsolated β-bridgetrans-172.3177169.2-146-37.7000109.3G15 L16 V19 W125 R129D13-G15 PolarHBondContact O-N 3.46Å; D13-G15 VanDerWaalsContact O-N 3.1Å; D13-L16 PolarHBondContact N-O 2.91Å; D13-L16 VanDerWaalsContact N-O 3.13Å; D13-L16 WeakPolarHBondContact O-CA 3.39Å; D13-L16 VanDerWaalsContact O-CB 3.29Å; D13-L16 WeakPolarHBondContact O-CB 3.4Å; D13-L16 PolarHBondContact O-N 3.5Å; D13-V19 HydrophobicContact CB-CG1 3.64Å; D13-W125 HydrophobicContact CB-CZ2 3.88Å; D13-W125 VanDerWaalsContact CG-NE1 3.26Å; D13-W125 VanDerWaalsContact OD2-CD1 3.29Å; D13-W125 PolarHBondContact OD2-NE1 3.42Å; D13-R129 IonicContact OD2-CZ 3.76Å; D13-R129 IonicContact OD2-NH1 3.16Å; D13-R129 IonicContact OD2-NH2 3.57Å; D13-R129 PolarHBondContact OD2-NH2 3.47Å
14W93.9Very high94.4Very high40 Ų4030.5 Ų30.515%0.15220%0.196CC..THydrogen-bonded Turntrans58.424.9176.8-42.9-28.6000113L16 V19 F111 L121 W125 K211 A212W14-L16 HydrophobicContact CE3-CD1 4.41Å; W14-L16 PolarHBondContact O-N 3.38Å; W14-V19 HydrophobicContact CD2-CB 4.41Å; W14-V19 HydrophobicContact CD2-CG1 3.73Å; W14-V19 HydrophobicContact CE3-CB 3.87Å; W14-V19 HydrophobicContact CE3-CG1 3.65Å; W14-V19 HydrophobicContact CG-CG1 4.37Å; W14-V19 HydrophobicContact CH2-CB 3.88Å; W14-V19 HydrophobicContact CH2-CG1 4.11Å; W14-V19 HydrophobicContact CH2-CG2 4.39Å; W14-V19 HydrophobicContact CZ2-CB 4.4Å; W14-V19 HydrophobicContact CZ2-CG1 4.17Å; W14-V19 HydrophobicContact CZ3-CB 3.6Å; W14-V19 HydrophobicContact CZ3-CG1 3.86Å; W14-F111 HydrophobicContact CH2-CD1 4.4Å; W14-F111 AromaticContact CH2-CE1 3.94Å; W14-F111 HydrophobicContact CH2-CE1 3.94Å; W14-F111 AromaticContact CZ3-CE1 3.88Å; W14-F111 HydrophobicContact CZ3-CE1 3.88Å; W14-F111 HydrophobicContact CZ3-CZ 4.47Å; W14-L121 HydrophobicContact CH2-CD2 4.02Å; W14-L121 HydrophobicContact CH2-CG 4.42Å; W14-L121 HydrophobicContact CZ2-CD1 3.94Å; W14-L121 HydrophobicContact CZ2-CD2 3.75Å; W14-L121 HydrophobicContact CZ2-CG 3.77Å; W14-W125 HydrophobicContact CZ2-CG 4.32Å; W14-W125 AromaticContact NE1-CD1 3.9Å; W14-K211 HydrophobicContact CB-CB 4.15Å; W14-K211 WeakPolarHBondContact O-CB 3.31Å; W14-A212 HydrophobicContact CD2-CB 4.25Å; W14-A212 HydrophobicContact CE3-CB 3.77Å; W14-A212 HydrophobicContact CH2-CB 4.28Å; W14-A212 HydrophobicContact CZ3-CB 3.78Å
15G93Very high94.8Very high70 Ų7026.3 Ų26.372%0.72216%0.161SC*.THydrogen-bonded Turntrans72.613.2-171.700000114.6D13D13-G15 PolarHBondContact O-N 3.46Å; D13-G15 VanDerWaalsContact O-N 3.1Å
16L96Very high95Very high8 Ų825.4 Ų25.44%0.04216%0.157CC..BIsolated β-bridgetrans-107.2148.3178-56.7175.6000111.4G12 D13 W14 S18 L24 A207 P208 K211 L237G12-L16 CarbonylContact C-O 3.58Å; G12-L16 WeakPolarHBondContact CA-O 3.46Å; D13-L16 PolarHBondContact N-O 2.91Å; D13-L16 VanDerWaalsContact N-O 3.13Å; D13-L16 WeakPolarHBondContact O-CA 3.39Å; D13-L16 VanDerWaalsContact O-CB 3.29Å; D13-L16 WeakPolarHBondContact O-CB 3.4Å; D13-L16 PolarHBondContact O-N 3.5Å; W14-L16 HydrophobicContact CE3-CD1 4.41Å; W14-L16 PolarHBondContact O-N 3.38Å; L16-S18 WeakPolarHBondContact CB-O 3.49Å; L16-S18 PolarHBondContact O-N 3.49Å; L16-L24 HydrophobicContact CB-CD2 4.49Å; L16-L24 HydrophobicContact CD1-CD1 4.18Å; L16-A207 HydrophobicContact CD2-CB 3.81Å; L16-P208 HydrophobicContact CD1-CB 4.47Å; L16-P208 HydrophobicContact CD1-CG 4.35Å; L16-K211 HydrophobicContact CD1-CB 4.09Å; L16-K211 HydrophobicContact CD1-CG 4.41Å; L16-K211 HydrophobicContact CD2-CB 4.33Å; L16-K211 HydrophobicContact CD2-CG 3.77Å; L16-K211 HydrophobicContact CG-CB 4.13Å; L16-K211 HydrophobicContact CG-CG 4.1Å; L16-L237 HydrophobicContact CD2-CD1 3.97Å; L16-L237 HydrophobicContact CD2-CD2 4Å
17P94.4Very high95.1Very high41 Ų4123 Ų2327%0.26615%0.146SC..SBendtrans-71.5-16.7175.930.5-35.8000113.2G12 L24 L27 F241G12-P17 VanDerWaalsContact CA-C 3.49Å; G12-P17 WeakPolarHBondContact CA-O 3.44Å; G12-P17 PolarHBondContact N-O 2.89Å; P17-L24 HydrophobicContact CG-CD2 3.55Å; P17-L27 HydrophobicContact CB-CD1 4.19Å; P17-L27 HydrophobicContact CG-CD1 4.32Å; P17-F241 HydrophobicContact CB-CD1 3.93Å; P17-F241 HydrophobicContact CB-CE1 4.13Å; P17-F241 HydrophobicContact CG-CD1 3.65Å; P17-F241 HydrophobicContact CG-CE1 3.68Å; P17-F241 HydrophobicContact CG-CG 4.1Å; P17-F241 HydrophobicContact CG-CZ 4.16Å
18S95Very high95.2Very high0 Ų023 Ų230%015%0.146CC..  trans-153.5145.6169.1161.80000108.3W10 G11 L16 H20 S23 L24W10-S18 WeakPolarHBondContact O-CB 3.28Å; W10-S18 PolarHBondContact O-OG 3.24Å; G11-S18 WeakPolarHBondContact O-CA 3.44Å; L16-S18 WeakPolarHBondContact CB-O 3.49Å; L16-S18 PolarHBondContact O-N 3.49Å; S18-H20 PolarHBondContact OG-N 3.01Å; S18-H20 PolarHBondContact OG-O 3.49Å; S18-S23 VanDerWaalsContact OG-CB 3.3Å; S18-S23 WeakPolarHBondContact OG-CB 3.18Å; S18-L24 VanDerWaalsContact O-CD1 3.27Å; S18-L24 WeakPolarHBondContact O-CD1 3.36Å; S18-L24 WeakPolarHBondContact O-CD2 3.39Å; S18-L24 WeakPolarHBondContact O-CG 3.26Å
19V93.7Very high95.3Very high8 Ų818.7 Ų18.75%0.04813%0.13CC..SBendtrans-85.8-14.3171-53.50000112.9G11 D13 W14 W125 F126G11-V19 PolarHBondContact O-N 3.46Å; D13-V19 HydrophobicContact CB-CG1 3.64Å; W14-V19 HydrophobicContact CD2-CB 4.41Å; W14-V19 HydrophobicContact CD2-CG1 3.73Å; W14-V19 HydrophobicContact CE3-CB 3.87Å; W14-V19 HydrophobicContact CE3-CG1 3.65Å; W14-V19 HydrophobicContact CG-CG1 4.37Å; W14-V19 HydrophobicContact CH2-CB 3.88Å; W14-V19 HydrophobicContact CH2-CG1 4.11Å; W14-V19 HydrophobicContact CH2-CG2 4.39Å; W14-V19 HydrophobicContact CZ2-CB 4.4Å; W14-V19 HydrophobicContact CZ2-CG1 4.17Å; W14-V19 HydrophobicContact CZ3-CB 3.6Å; W14-V19 HydrophobicContact CZ3-CG1 3.86Å; V19-W125 HydrophobicContact CB-CH2 4.12Å; V19-W125 HydrophobicContact CB-CZ2 3.9Å; V19-W125 HydrophobicContact CG1-CD2 4.46Å; V19-W125 HydrophobicContact CG1-CH2 4.01Å; V19-W125 HydrophobicContact CG1-CZ2 3.29Å; V19-W125 HydrophobicContact CG2-CD2 3.97Å; V19-W125 HydrophobicContact CG2-CE3 3.69Å; V19-W125 HydrophobicContact CG2-CH2 3.1Å; V19-W125 HydrophobicContact CG2-CZ2 3.32Å; V19-W125 HydrophobicContact CG2-CZ3 3.26Å; V19-F126 HydrophobicContact CG2-CE2 4.23Å; V19-F126 HydrophobicContact CG2-CZ 3.84Å
20H94.9Very high95.5Very high36 Ų3618.9 Ų18.917%0.16713%0.131CC..SBendtrans-84.2125.6-179.6-173.9-112.6000111.1W10 S18 D22 S23 L24 V53W10-H20 HydrophobicContact CB-CB 3.89Å; W10-H20 AromaticContact CD1-CG 3.68Å; W10-H20 HydrophobicContact CG-CB 4.05Å; S18-H20 PolarHBondContact OG-N 3.01Å; S18-H20 PolarHBondContact OG-O 3.49Å; H20-D22 IonicContact CE1-OD2 3.26Å; H20-D22 PolarHBondContact O-N 3.13Å; H20-S23 PolarHBondContact ND1-OG 2.82Å; H20-S23 VanDerWaalsContact ND1-OG 3.07Å; H20-S23 WeakPolarHBondContact O-CB 3.27Å; H20-S23 PolarHBondContact O-N 3.13Å; H20-L24 PolarHBondContact O-N 2.98Å; H20-V53 PolarHBondContact CE1-O 3.48Å; H20-V53 VanDerWaalsContact CE1-O 3.23Å
21T96.7Very high95.6Very high20 Ų2023.7 Ų23.712%0.12315%0.152CC..Hα-helixtrans-50.9-56.7-177.4-650000112.8S23 L24 V25 G204 F205T21-S23 PolarHBondContact O-N 3.43Å; T21-L24 WeakPolarHBondContact O-CB 3.37Å; T21-L24 PolarHBondContact O-N 3.08Å; T21-V25 WeakPolarHBondContact O-CG2 3.47Å; T21-V25 PolarHBondContact O-N 2.96Å; T21-G204 WeakPolarHBondContact CA-O 3.5Å; T21-G204 WeakPolarHBondContact CG2-O 3.27Å; T21-G204 PolarHBondContact OG1-O 2.91Å; T21-F205 HydrophobicContact CG2-CD1 4.47Å; T21-F205 HydrophobicContact CG2-CD2 3.48Å; T21-F205 VanDerWaalsContact CG2-CD2 3.48Å; T21-F205 HydrophobicContact CG2-CE2 3.72Å; T21-F205 HydrophobicContact CG2-CG 3.92Å; T21-F205 HydrophobicContact CG2-CZ 4.34Å
22D96.9Very high95.9Very high24 Ų2423.7 Ų23.713%0.12815%0.145CC..Hα-helixtrans-64.3-33.8-173.8-67.9-12.6000111.9H20 V25 V26 P54 P66 R104H20-D22 IonicContact CE1-OD2 3.26Å; H20-D22 PolarHBondContact O-N 3.13Å; D22-V25 PolarHBondContact O-N 3.4Å; D22-V26 PolarHBondContact O-N 3.02Å; D22-P54 VanDerWaalsContact CB-CD 3.47Å; D22-P54 HydrophobicContact CB-CG 4.29Å; D22-P66 HydrophobicContact CB-CG 3.37Å; D22-R104 IonicContact OD1-CZ 3.89Å; D22-R104 VanDerWaalsContact OD1-CZ 3.25Å; D22-R104 IonicContact OD1-NH1 3.42Å; D22-R104 PolarHBondContact OD1-NH1 3.37Å; D22-R104 IonicContact OD1-NH2 3.86Å; D22-R104 PolarHBondContact OD1-NH2 3.09Å; D22-R104 IonicContact OD2-NH1 3.89Å
23S96.4Very high96Very high0 Ų023.1 Ų23.10%014%0.135CC..Hα-helixtrans-69.4-39.3176.1-56.10000111.6C9 S18 H20 T21 V26 L27C9-S23 WeakPolarHBondContact CB-OG 3.46Å; S18-S23 VanDerWaalsContact OG-CB 3.3Å; S18-S23 WeakPolarHBondContact OG-CB 3.18Å; H20-S23 PolarHBondContact ND1-OG 2.82Å; H20-S23 VanDerWaalsContact ND1-OG 3.07Å; H20-S23 WeakPolarHBondContact O-CB 3.27Å; H20-S23 PolarHBondContact O-N 3.13Å; T21-S23 PolarHBondContact O-N 3.43Å; S23-V26 PolarHBondContact O-N 3.46Å; S23-L27 WeakPolarHBondContact O-CB 3.34Å; S23-L27 VanDerWaalsContact O-CG 3.23Å; S23-L27 WeakPolarHBondContact O-CG 3.49Å; S23-L27 PolarHBondContact O-N 3.12Å
24L97.1Very high96Very high0 Ų022.3 Ų22.30%014%0.142CC..Hα-helixtrans-63.5-40.6173.3-76.3178.3000112.7L16 P17 S18 H20 T21 V26 L27 A28 F203 A207 P208L16-L24 HydrophobicContact CB-CD2 4.49Å; L16-L24 HydrophobicContact CD1-CD1 4.18Å; P17-L24 HydrophobicContact CG-CD2 3.55Å; S18-L24 VanDerWaalsContact O-CD1 3.27Å; S18-L24 WeakPolarHBondContact O-CD1 3.36Å; S18-L24 WeakPolarHBondContact O-CD2 3.39Å; S18-L24 WeakPolarHBondContact O-CG 3.26Å; H20-L24 PolarHBondContact O-N 2.98Å; T21-L24 WeakPolarHBondContact O-CB 3.37Å; T21-L24 PolarHBondContact O-N 3.08Å; L24-V26 VanDerWaalsContact C-N 3.31Å; L24-V26 PolarHBondContact O-N 3.34Å; L24-L27 PolarHBondContact O-N 3.08Å; L24-A28 VanDerWaalsContact O-CB 3.28Å; L24-A28 WeakPolarHBondContact O-CB 3.33Å; L24-A28 PolarHBondContact O-N 3.46Å; L24-F203 HydrophobicContact CB-CE1 4.49Å; L24-F203 HydrophobicContact CD2-CE1 4.16Å; L24-A207 HydrophobicContact CD1-CB 4.39Å; L24-P208 HydrophobicContact CD1-CG 3.52Å
25V98.3Very high96Very high0 Ų020.9 Ų20.90%014%0.14CC..Hα-helixtrans-56.2-49.3176176.30000110.2T21 D22 Y29 P66 L70 A200 F201 F205T21-V25 WeakPolarHBondContact O-CG2 3.47Å; T21-V25 PolarHBondContact O-N 2.96Å; D22-V25 PolarHBondContact O-N 3.4Å; V25-Y29 WeakPolarHBondContact O-CB 3.46Å; V25-Y29 PolarHBondContact O-N 2.95Å; V25-P66 HydrophobicContact CB-CB 4.41Å; V25-P66 HydrophobicContact CG1-CB 4.15Å; V25-L70 HydrophobicContact CG1-CD2 4.45Å; V25-A200 HydrophobicContact CG1-CB 4.46Å; V25-F201 HydrophobicContact CG1-CD1 3.99Å; V25-F201 HydrophobicContact CG1-CD2 3.75Å; V25-F201 HydrophobicContact CG1-CE1 4.01Å; V25-F201 HydrophobicContact CG1-CE2 3.79Å; V25-F201 HydrophobicContact CG1-CG 3.86Å; V25-F201 HydrophobicContact CG1-CZ 3.91Å; V25-F201 HydrophobicContact CG2-CD1 4.16Å; V25-F201 HydrophobicContact CG2-CG 4.44Å; V25-F205 HydrophobicContact CG2-CD2 4.46Å
26V98Very high96Very high0 Ų025.5 Ų25.50%014%0.14CC..Hα-helixtrans-65.6-44179.8177.50000111.7L7 D22 S23 L24 Y29 A30 L37 P54 P66 I69 L70L7-V26 HydrophobicContact CD1-CB 4.48Å; L7-V26 HydrophobicContact CD1-CG1 3.68Å; L7-V26 HydrophobicContact CD2-CB 4.28Å; L7-V26 HydrophobicContact CD2-CG1 3.77Å; L7-V26 HydrophobicContact CG-CG1 4.39Å; D22-V26 PolarHBondContact O-N 3.02Å; S23-V26 PolarHBondContact O-N 3.46Å; L24-V26 VanDerWaalsContact C-N 3.31Å; L24-V26 PolarHBondContact O-N 3.34Å; V26-Y29 PolarHBondContact O-N 3.44Å; V26-A30 VanDerWaalsContact O-CB 3.3Å; V26-A30 WeakPolarHBondContact O-CB 3.48Å; V26-A30 PolarHBondContact O-N 2.84Å; V26-L37 HydrophobicContact CG1-CD1 4.49Å; V26-P54 HydrophobicContact CG2-CG 3.82Å; V26-P66 HydrophobicContact CG2-CB 4.14Å; V26-P66 HydrophobicContact CG2-CG 4.48Å; V26-I69 HydrophobicContact CG1-CG2 3.63Å; V26-I69 HydrophobicContact CG2-CB 4.23Å; V26-I69 HydrophobicContact CG2-CD1 4.11Å; V26-I69 HydrophobicContact CG2-CG2 4.02Å; V26-L70 HydrophobicContact CG2-CD1 4.09Å
27L97.4Very high95.9Very high13 Ų1326.7 Ų26.77%0.06815%0.146CC..Hα-helixtrans-62.2-44.4178.9-73.5169.2000112L7 P17 S23 L24 A30 K31 V39 F241L7-L27 HydrophobicContact CD2-CD2 3.6Å; L7-L27 HydrophobicContact CD2-CG 3.83Å; P17-L27 HydrophobicContact CB-CD1 4.19Å; P17-L27 HydrophobicContact CG-CD1 4.32Å; S23-L27 WeakPolarHBondContact O-CB 3.34Å; S23-L27 VanDerWaalsContact O-CG 3.23Å; S23-L27 WeakPolarHBondContact O-CG 3.49Å; S23-L27 PolarHBondContact O-N 3.12Å; L24-L27 PolarHBondContact O-N 3.08Å; L27-A30 PolarHBondContact O-N 2.92Å; L27-K31 WeakPolarHBondContact O-CG 3.35Å; L27-K31 PolarHBondContact O-N 3.15Å; L27-K31 VanDerWaalsContact O-N 3.13Å; L27-V39 HydrophobicContact CD2-CG1 4.35Å; L27-V39 HydrophobicContact CD2-CG2 3.53Å; L27-F241 HydrophobicContact CB-CE1 4.34Å; L27-F241 HydrophobicContact CB-CZ 4.34Å
28A97.8Very high95.9Very high0 Ų028.5 Ų28.50%016%0.159CC..Hα-helixtrans-63.8-49.4176.700000110.9L24 A30 K31 F32 A200 F203 F241L24-A28 VanDerWaalsContact O-CB 3.28Å; L24-A28 WeakPolarHBondContact O-CB 3.33Å; L24-A28 PolarHBondContact O-N 3.46Å; A28-A30 VanDerWaalsContact C-N 3.28Å; A28-A30 PolarHBondContact O-N 3.4Å; A28-K31 WeakPolarHBondContact O-CA 3.4Å; A28-K31 WeakPolarHBondContact O-CB 3.38Å; A28-K31 PolarHBondContact O-N 2.91Å; A28-F32 HydrophobicContact CB-CE2 4.07Å; A28-F32 HydrophobicContact CB-CZ 3.98Å; A28-F32 VanDerWaalsContact O-CD1 3.3Å; A28-F32 WeakPolarHBondContact O-CD1 3.29Å; A28-F32 WeakPolarHBondContact O-CD2 3.4Å; A28-F32 WeakPolarHBondContact O-CG 3.48Å; A28-F32 PolarHBondContact O-N 2.99Å; A28-A200 HydrophobicContact CB-CB 4.07Å; A28-F203 HydrophobicContact CB-CD1 3.73Å; A28-F203 HydrophobicContact CB-CE1 4.26Å; A28-F241 HydrophobicContact CB-CZ 4.47Å
29Y98.1Very high95.8Very high0 Ų032.1 Ų32.10%018%0.181CC..Hα-helixtrans-58.5-40.5178-172.2-95.2000112.8V25 V26 K31 F32 S33 L70 L73 R74 N79 A80 A200V25-Y29 WeakPolarHBondContact O-CB 3.46Å; V25-Y29 PolarHBondContact O-N 2.95Å; V26-Y29 PolarHBondContact O-N 3.44Å; Y29-K31 VanDerWaalsContact C-N 3.32Å; Y29-K31 PolarHBondContact O-N 3.24Å; Y29-F32 PolarHBondContact O-N 2.89Å; Y29-S33 WeakPolarHBondContact O-CB 3.45Å; Y29-S33 PolarHBondContact O-N 3.39Å; Y29-S33 PolarHBondContact O-OG 3.25Å; Y29-L70 HydrophobicContact CD1-CB 4.49Å; Y29-L70 HydrophobicContact CD1-CD1 3.96Å; Y29-L70 HydrophobicContact CD1-CD2 4.42Å; Y29-L70 HydrophobicContact CD1-CG 3.59Å; Y29-L70 HydrophobicContact CD2-CD2 3.75Å; Y29-L70 HydrophobicContact CD2-CG 3.84Å; Y29-L70 HydrophobicContact CE1-CB 4.4Å; Y29-L70 HydrophobicContact CE1-CG 3.92Å; Y29-L70 HydrophobicContact CE2-CD2 4.16Å; Y29-L70 HydrophobicContact CE2-CG 4.16Å; Y29-L70 HydrophobicContact CG-CD1 3.87Å; Y29-L70 HydrophobicContact CG-CD2 3.87Å; Y29-L70 HydrophobicContact CG-CG 3.52Å; Y29-L73 HydrophobicContact CD1-CD1 3.85Å; Y29-L73 HydrophobicContact CE1-CB 4.15Å; Y29-L73 HydrophobicContact CE1-CD1 4.24Å; Y29-R74 WeakPolarHBondContact OH-CG 3.41Å; Y29-R74 PolarHBondContact OH-NE 3.11Å; Y29-N79 WeakPolarHBondContact OH-CA 3.26Å; Y29-N79 PolarHBondContact OH-OD1 3.41Å; Y29-A80 HydrophobicContact CD2-CB 4.12Å; Y29-A80 HydrophobicContact CE2-CB 3.62Å; Y29-A80 PolarHBondContact OH-N 3.45Å; Y29-A200 HydrophobicContact CD2-CB 4.37Å
30A97.1Very high95.7Very high5 Ų532.8 Ų32.84%0.04119%0.186CC..Hα-helixtrans-62.2-39.817600000112V26 L27 A28 S33 G34 A35 L37V26-A30 VanDerWaalsContact O-CB 3.3Å; V26-A30 WeakPolarHBondContact O-CB 3.48Å; V26-A30 PolarHBondContact O-N 2.84Å; L27-A30 PolarHBondContact O-N 2.92Å; A28-A30 VanDerWaalsContact C-N 3.28Å; A28-A30 PolarHBondContact O-N 3.4Å; A30-S33 PolarHBondContact O-OG 3.45Å; A30-G34 CarbonylContact O-C 3.56Å; A30-G34 PolarHBondContact O-N 3.5Å; A30-G34 VanDerWaalsContact O-N 3.09Å; A30-A35 HydrophobicContact CB-CB 4.15Å; A30-A35 PolarHBondContact O-N 3.32Å; A30-L37 HydrophobicContact CB-CD1 3.32Å; A30-L37 HydrophobicContact CB-CG 3.89Å
31K96.2Very high95.5Very high105 Ų10535.9 Ų35.946%0.45721%0.21SC..Hα-helixtrans-65.8-41.2174.1-68.2-69.4-174.7165.50112.2L27 A28 Y29 G34 H240 F241L27-K31 WeakPolarHBondContact O-CG 3.35Å; L27-K31 PolarHBondContact O-N 3.15Å; L27-K31 VanDerWaalsContact O-N 3.13Å; A28-K31 WeakPolarHBondContact O-CA 3.4Å; A28-K31 WeakPolarHBondContact O-CB 3.38Å; A28-K31 PolarHBondContact O-N 2.91Å; Y29-K31 VanDerWaalsContact C-N 3.32Å; Y29-K31 PolarHBondContact O-N 3.24Å; K31-G34 PolarHBondContact O-N 3.12Å; K31-H240 HydrophobicContact CB-CB 4.01Å; K31-H240 WeakPolarHBondContact CE-O 3.42Å; K31-H240 HydrophobicContact CG-CB 4.21Å; K31-H240 PolarHBondContact NZ-O 3.26Å; K31-F241 HydrophobicContact CB-CZ 4.49Å; K31-F241 HydrophobicContact CD-CE1 4.47Å; K31-F241 HydrophobicContact CG-CE1 3.77Å; K31-F241 HydrophobicContact CG-CE2 4.42Å; K31-F241 HydrophobicContact CG-CZ 3.71Å
32F96.4Very high95.1Very high27 Ų2735.9 Ų35.912%0.11821%0.209CC..Hα-helixtrans-67.7-43.2-178.6-58.2-17.8000112A28 Y29 G34 A80 P195 T196 D199 A200 I236 H240A28-F32 HydrophobicContact CB-CE2 4.07Å; A28-F32 HydrophobicContact CB-CZ 3.98Å; A28-F32 VanDerWaalsContact O-CD1 3.3Å; A28-F32 WeakPolarHBondContact O-CD1 3.29Å; A28-F32 WeakPolarHBondContact O-CD2 3.4Å; A28-F32 WeakPolarHBondContact O-CG 3.48Å; A28-F32 PolarHBondContact O-N 2.99Å; Y29-F32 PolarHBondContact O-N 2.89Å; F32-G34 VanDerWaalsContact C-N 3.3Å; F32-G34 PolarHBondContact O-N 3.03Å; F32-A80 HydrophobicContact CB-CB 3.98Å; F32-P195 HydrophobicContact CB-CB 4.15Å; F32-P195 HydrophobicContact CB-CG 3.95Å; F32-P195 HydrophobicContact CD1-CB 3.56Å; F32-P195 HydrophobicContact CD1-CG 3.55Å; F32-P195 HydrophobicContact CD2-CB 3.64Å; F32-P195 HydrophobicContact CD2-CG 4.34Å; F32-P195 HydrophobicContact CE1-CB 3.73Å; F32-P195 HydrophobicContact CE1-CG 4.09Å; F32-P195 HydrophobicContact CE2-CB 3.78Å; F32-P195 HydrophobicContact CG-CB 3.52Å; F32-P195 HydrophobicContact CG-CG 3.71Å; F32-P195 HydrophobicContact CZ-CB 3.84Å; F32-T196 WeakPolarHBondContact CD2-O 3.11Å; F32-D199 HydrophobicContact CE2-CB 3.97Å; F32-A200 HydrophobicContact CD2-CB 3.97Å; F32-A200 HydrophobicContact CE2-CB 3.76Å; F32-I236 HydrophobicContact CE1-CG2 4.21Å; F32-I236 HydrophobicContact CZ-CD1 4.09Å; F32-I236 HydrophobicContact CZ-CG1 4.34Å; F32-I236 HydrophobicContact CZ-CG2 4.06Å; F32-H240 AromaticContact CD1-CE1 3.81Å; F32-H240 AromaticContact CD1-NE2 3.83Å; F32-H240 AromaticContact CE1-CD2 3.59Å; F32-H240 AromaticContact CE1-NE2 3.65Å
33S95.2Very high94.6Very high22 Ų2240.7 Ų40.715%0.15424%0.235CC..Hα-helixtrans-80.4-6.1178.359.30000114.2Y29 A30 A35Y29-S33 WeakPolarHBondContact O-CB 3.45Å; Y29-S33 PolarHBondContact O-N 3.39Å; Y29-S33 PolarHBondContact O-OG 3.25Å; A30-S33 PolarHBondContact O-OG 3.45Å; S33-A35 VanDerWaalsContact C-N 3.27Å; S33-A35 PolarHBondContact O-N 3.18Å
34G94.1Very high94.1Very high49 Ų4941.3 Ų41.351%0.50524%0.238SC..THydrogen-bonded Turntrans73.314.4-176.800000114.7A30 K31 F32 K36A30-G34 CarbonylContact O-C 3.56Å; A30-G34 PolarHBondContact O-N 3.5Å; A30-G34 VanDerWaalsContact O-N 3.09Å; K31-G34 PolarHBondContact O-N 3.12Å; F32-G34 VanDerWaalsContact C-N 3.3Å; F32-G34 PolarHBondContact O-N 3.03Å; G34-K36 PolarHBondContact O-N 3.45Å
35A94.4Very high93.7Very high11 Ų1143.6 Ų43.69%0.09125%0.252CS..  trans-64.6126.8176.400000111.1A30 S33 L37 L73 F78A30-A35 HydrophobicContact CB-CB 4.15Å; A30-A35 PolarHBondContact O-N 3.32Å; S33-A35 VanDerWaalsContact C-N 3.27Å; S33-A35 PolarHBondContact O-N 3.18Å; A35-L37 PolarHBondContact O-N 3.41Å; A35-L73 HydrophobicContact CB-CD2 4.29Å; A35-F78 HydrophobicContact CB-CB 4.01Å; A35-F78 HydrophobicContact CB-CD1 3.77Å; A35-F78 HydrophobicContact CB-CD2 4.15Å; A35-F78 HydrophobicContact CB-CE1 4.27Å; A35-F78 HydrophobicContact CB-CG 3.7Å
36K92.6Very high92.9Very high167 Ų16751.3 Ų51.373%0.72628%0.281SS*.  trans-85.8102.5174.6-66.6-179.7-175.9173.80108.9G34G34-K36 PolarHBondContact O-N 3.45Å
37L93Very high92.1Very high33 Ų3360.4 Ų60.417%0.17332%0.32CS..EExtended strand (participates in β ladder)trans-106.1135.4174.9-58.3-176.5000110.4M5 L7 V26 A30 A35 L56 L73M5-L37 HydrophobicContact CB-CD2 3.47Å; M5-L37 VanDerWaalsContact CB-CD2 3.47Å; M5-L37 HydrophobicContact CE-CD2 4.13Å; M5-L37 HydrophobicContact CG-CD2 4.39Å; M5-L37 HydrophobicContact SD-CD2 4.15Å; L7-L37 HydrophobicContact CB-CD1 4.3Å; L7-L37 HydrophobicContact CD2-CD1 4.36Å; V26-L37 HydrophobicContact CG1-CD1 4.49Å; A30-L37 HydrophobicContact CB-CD1 3.32Å; A30-L37 HydrophobicContact CB-CG 3.89Å; A35-L37 PolarHBondContact O-N 3.41Å; L37-L56 HydrophobicContact CD2-CD1 3.86Å; L37-L73 HydrophobicContact CD2-CD2 4.44Å
38S93.9Very high91.4Very high78 Ų7861.6 Ų61.655%0.54533%0.329SS..EExtended strand (participates in β ladder)trans-82.5124.9160.4-174.60000107.9M5 E6 L7M5-S38 PolarHBondContact O-N 2.98Å; E6-S38 CarbonylContact C-O 3.38Å; E6-S38 VanDerWaalsContact CA-O 3.29Å; E6-S38 WeakPolarHBondContact CA-O 3.47Å; L7-S38 PolarHBondContact N-O 3.27Å
39V94.2Very high90.6Very high76 Ų7663.1 Ų63.146%0.46134%0.336SS..EExtended strand (participates in β ladder)trans-100.8124.4-179.6-175.80000108.4L7 L27L7-V39 WeakPolarHBondContact O-CA 3.29Å; L27-V39 HydrophobicContact CD2-CG1 4.35Å; L27-V39 HydrophobicContact CD2-CG2 3.53Å
40S92.2Very high89.7Confident22 Ų2268 Ų6815%0.15437%0.367CS..EExtended strand (participates in β ladder)trans-120.8138.2175.7540000110E6 L7 R8 C9E6-S40 WeakPolarHBondContact CG-OG 3.31Å; E6-S40 WeakPolarHBondContact OE1-CB 3.36Å; E6-S40 PolarHBondContact OE1-OG 3.38Å; L7-S40 PolarHBondContact O-N 3.13Å; R8-S40 WeakPolarHBondContact CA-O 3.48Å; R8-S40 VanDerWaalsContact CG-OG 3.29Å; R8-S40 WeakPolarHBondContact CG-OG 3.4Å; C9-S40 PolarHBondContact N-O 3.41Å; C9-S40 VanDerWaalsContact N-O 3.09Å
41P89.8Confident89Confident102 Ų10269.3 Ų69.366%0.66238%0.377SS*.EExtended strand (participates in β ladder)trans-64.9145.616928.8-32.9000109.4C9 D43C9-P41 WeakPolarHBondContact O-CA 3.41Å; P41-D43 PolarHBondContact O-N 3.43Å
42V88.6Confident88.5Confident19 Ų1967 Ų6712%0.11537%0.374CS..  trans-64.7127.3174.8177.20000109.5R8 C9 W44 V53R8-V42 HydrophobicContact CB-CG2 4.19Å; C9-V42 PolarHBondContact O-N 3.46Å; C9-V42 VanDerWaalsContact O-N 3.14Å; V42-W44 HydrophobicContact CB-CZ2 4.03Å; V42-W44 HydrophobicContact CG1-CD2 3.86Å; V42-W44 HydrophobicContact CG1-CE3 4.17Å; V42-W44 HydrophobicContact CG1-CG 4.38Å; V42-W44 HydrophobicContact CG1-CH2 4.07Å; V42-W44 HydrophobicContact CG1-CZ2 3.71Å; V42-W44 HydrophobicContact CG1-CZ3 4.29Å; V42-W44 HydrophobicContact CG2-CZ2 4.46Å; V42-W44 PolarHBondContact O-N 3.14Å; V42-V53 HydrophobicContact CG1-CG1 4.43Å; V42-V53 HydrophobicContact CG2-CB 4.43Å; V42-V53 HydrophobicContact CG2-CG1 3.57Å
43D86.4Confident88.2Confident125 Ų12566.3 Ų66.367%0.66837%0.372SS*.  trans-81.7103.8170-17314.4000109.7P41 T45 T48P41-D43 PolarHBondContact O-N 3.43Å; D43-T45 PolarHBondContact O-N 2.88Å; D43-T48 PolarHBondContact O-OG1 2.98Å
44W86.4Confident88.2Confident13 Ų1365.3 Ų65.35%0.04937%0.365CS..  trans-79.2112.9-176.3-70.1107.9000111W10 V42 T48 V53 P131 L134 I138W10-W44 HydrophobicContact CD2-CZ2 4.31Å; W10-W44 AromaticContact CE2-CZ2 3.53Å; W10-W44 AromaticContact CE3-NE1 3.99Å; W10-W44 HydrophobicContact CH2-CD2 4.42Å; W10-W44 AromaticContact CH2-CE2 3.39Å; W10-W44 AromaticContact CH2-CZ2 3.47Å; W10-W44 HydrophobicContact CH2-CZ2 3.47Å; W10-W44 VanDerWaalsContact CH2-CZ2 3.47Å; W10-W44 AromaticContact CH2-NE1 3.17Å; W10-W44 AromaticContact CZ2-CE2 3.54Å; W10-W44 AromaticContact CZ2-CH2 3.88Å; W10-W44 HydrophobicContact CZ2-CH2 3.88Å; W10-W44 AromaticContact CZ2-CZ2 3.06Å; W10-W44 HydrophobicContact CZ2-CZ2 3.06Å; W10-W44 AromaticContact CZ2-NE1 3.77Å; W10-W44 AromaticContact CZ3-CE2 3.98Å; W10-W44 HydrophobicContact CZ3-CZ2 4.25Å; W10-W44 AromaticContact CZ3-NE1 3.31Å; W10-W44 VanDerWaalsContact CZ3-NE1 3.31Å; V42-W44 HydrophobicContact CB-CZ2 4.03Å; V42-W44 HydrophobicContact CG1-CD2 3.86Å; V42-W44 HydrophobicContact CG1-CE3 4.17Å; V42-W44 HydrophobicContact CG1-CG 4.38Å; V42-W44 HydrophobicContact CG1-CH2 4.07Å; V42-W44 HydrophobicContact CG1-CZ2 3.71Å; V42-W44 HydrophobicContact CG1-CZ3 4.29Å; V42-W44 HydrophobicContact CG2-CZ2 4.46Å; V42-W44 PolarHBondContact O-N 3.14Å; W44-T48 WeakPolarHBondContact CZ3-O 3.48Å; W44-V53 HydrophobicContact CH2-CG1 4.19Å; W44-V53 HydrophobicContact CZ2-CG1 4.46Å; W44-P131 HydrophobicContact CB-CG 4.48Å; W44-P131 WeakPolarHBondContact O-CG 3.12Å; W44-L134 HydrophobicContact CB-CD1 4.44Å; W44-L134 WeakPolarHBondContact O-CD1 3.11Å; W44-I138 HydrophobicContact CB-CD1 3.78Å; W44-I138 HydrophobicContact CD2-CD1 3.66Å; W44-I138 HydrophobicContact CE3-CD1 3.7Å; W44-I138 HydrophobicContact CE3-CG1 4.4Å; W44-I138 HydrophobicContact CG-CD1 3.69Å
45T87.5Confident88.2Confident49 Ų4964.3 Ų64.330%0.30135%0.347SS..  trans-133.3171176.767.30000108.9D43 K47 T48 L49 L134D43-T45 PolarHBondContact O-N 2.88Å; T45-K47 PolarHBondContact O-N 3.05Å; T45-K47 VanDerWaalsContact O-N 3.14Å; T45-K47 PolarHBondContact OG1-N 2.91Å; T45-T48 PolarHBondContact N-OG1 3.4Å; T45-T48 PolarHBondContact O-N 3.08Å; T45-T48 VanDerWaalsContact O-N 3.14Å; T45-T48 PolarHBondContact O-OG1 3.01Å; T45-T48 PolarHBondContact OG1-N 2.99Å; T45-T48 PolarHBondContact OG1-OG1 3.37Å; T45-L49 PolarHBondContact O-N 3.18Å; T45-L134 VanDerWaalsContact C-CD1 3.5Å
46W82.4Confident88.2Confident161 Ų16163.8 Ų63.861%0.6134%0.343SS*.THydrogen-bonded Turntrans-57.6-27.7173-64.9107.1000113.2L49 P133 L134 F137W46-L49 HydrophobicContact CE3-CD2 3.94Å; W46-L49 HydrophobicContact CZ3-CD2 4.09Å; W46-P133 HydrophobicContact CZ2-CG 3.95Å; W46-L134 HydrophobicContact CD2-CD2 3.72Å; W46-L134 HydrophobicContact CE3-CD2 3.6Å; W46-L134 HydrophobicContact CH2-CD2 3.65Å; W46-L134 HydrophobicContact CZ2-CD2 3.77Å; W46-L134 HydrophobicContact CZ3-CD2 3.56Å; W46-F137 HydrophobicContact CH2-CD2 4.26Å; W46-F137 HydrophobicContact CH2-CE2 4.16Å
47K81.3Confident88.3Confident191 Ų19156.9 Ų56.983%0.8332%0.315SS*.THydrogen-bonded Turntrans-75.7-37177.6-63.7-178.7-179.4178.10112.5T45T45-K47 PolarHBondContact O-N 3.05Å; T45-K47 VanDerWaalsContact O-N 3.14Å; T45-K47 PolarHBondContact OG1-N 2.91Å
48T82.5Confident88.4Confident39 Ų3956.1 Ų56.124%0.23931%0.312CS..G310 helixtrans-89.7-3.7-179.651.80000112.7D43 W44 T45 T50 A51D43-T48 PolarHBondContact O-OG1 2.98Å; W44-T48 WeakPolarHBondContact CZ3-O 3.48Å; T45-T48 PolarHBondContact N-OG1 3.4Å; T45-T48 PolarHBondContact O-N 3.08Å; T45-T48 VanDerWaalsContact O-N 3.14Å; T45-T48 PolarHBondContact O-OG1 3.01Å; T45-T48 PolarHBondContact OG1-N 2.99Å; T45-T48 PolarHBondContact OG1-OG1 3.37Å; T48-T50 PolarHBondContact O-N 2.92Å; T48-T50 VanDerWaalsContact O-N 3.12Å; T48-A51 VanDerWaalsContact O-CB 3.26Å; T48-A51 WeakPolarHBondContact O-CB 3.48Å; T48-A51 PolarHBondContact O-N 3.44Å
49L81.4Confident88.2Confident31 Ų3154.7 Ų54.716%0.16231%0.31CS..G310 helixtrans-56.2-30.8177.1-173.661.7000113.1T45 W46 I138 R141T45-L49 PolarHBondContact O-N 3.18Å; W46-L49 HydrophobicContact CE3-CD2 3.94Å; W46-L49 HydrophobicContact CZ3-CD2 4.09Å; L49-I138 HydrophobicContact CD1-CD1 4.37Å; L49-I138 HydrophobicContact CD1-CG1 3.55Å; L49-R141 PolarHBondContact O-NE 3.26Å; L49-R141 PolarHBondContact O-NH1 2.95Å
50T79Confident87.9Confident104 Ų10459.3 Ų59.364%0.63833%0.332SS*.G310 helixtrans-94.6-4.3176.451.40000114.5T48T48-T50 PolarHBondContact O-N 2.92Å; T48-T50 VanDerWaalsContact O-N 3.12Å
51A81.1Confident88Confident31 Ų3161.5 Ų61.526%0.25634%0.344SS..  trans-67.4141-178.800000110.7T48T48-A51 VanDerWaalsContact O-CB 3.26Å; T48-A51 WeakPolarHBondContact O-CB 3.48Å; T48-A51 PolarHBondContact O-N 3.44Å
52S85.2Confident88.2Confident57 Ų5760.3 Ų60.340%0.39934%0.335SS..  trans-89.1136.9169.4-168.70000108.9
53V90.6Very high88.5Confident13 Ų1360.2 Ų60.28%0.07934%0.335CS..SBendtrans-122.3143.2-178.9-63.50000108.9H20 V42 W44H20-V53 PolarHBondContact CE1-O 3.48Å; H20-V53 VanDerWaalsContact CE1-O 3.23Å; V42-V53 HydrophobicContact CG1-CG1 4.43Å; V42-V53 HydrophobicContact CG2-CB 4.43Å; V42-V53 HydrophobicContact CG2-CG1 3.57Å; W44-V53 HydrophobicContact CH2-CG1 4.19Å; W44-V53 HydrophobicContact CZ2-CG1 4.46Å
54P94.9Very high88.8Confident0 Ų057.4 Ų57.40%032%0.317CS..SBendcis-73153.23.331.9-36.6000114.1L7 R8 C9 D22 V26 I69L7-P54 HydrophobicContact CD1-CB 3.93Å; R8-P54 WeakPolarHBondContact O-CA 3.25Å; C9-P54 HydrophobicContact CB-CB 4.23Å; D22-P54 VanDerWaalsContact CB-CD 3.47Å; D22-P54 HydrophobicContact CB-CG 4.29Å; V26-P54 HydrophobicContact CG2-CG 3.82Å; P54-I69 HydrophobicContact CB-CD1 4.33Å; P54-I69 HydrophobicContact CG-CD1 4.04Å
55E94.8Very high89.1Confident28 Ų2861.3 Ų61.313%0.13134%0.336CS..EExtended strand (participates in β ladder)trans-122.6123175.6177.9178.2-97.700109.4R8 V57 V62 Q64R8-E55 HydrophobicContact CB-CB 4.31Å; R8-E55 PolarHBondContact N-O 2.86Å; R8-E55 IonicContact NH1-OE2 3.45Å; R8-E55 PolarHBondContact NH1-OE2 2.9Å; R8-E55 PolarHBondContact O-N 2.98Å; E55-V57 HydrophobicContact CG-CG2 4.24Å; E55-V62 VanDerWaalsContact CD-CG1 3.45Å; E55-V62 HydrophobicContact CG-CG1 3.42Å; E55-V62 VanDerWaalsContact CG-CG1 3.42Å; E55-V62 VanDerWaalsContact OE1-CG1 3.31Å; E55-V62 WeakPolarHBondContact OE1-CG1 3.46Å; E55-Q64 HydrophobicContact CB-CG 4.22Å; E55-Q64 HydrophobicContact CG-CG 4.09Å; E55-Q64 PolarHBondContact OE1-NE2 2.97Å
56L95.6Very high89.5Confident1 Ų159.4 Ų59.41%0.00533%0.325CS..EExtended strand (participates in β ladder)trans-97.6123.3173.7-174.776.8000109.6M5 E6 L7 L37 V62 V63 I69 F72 L73M5-L56 HydrophobicContact CB-CD1 4.36Å; E6-L56 CarbonylContact O-C 3.5Å; E6-L56 WeakPolarHBondContact O-CA 3.4Å; L7-L56 HydrophobicContact CB-CD1 4.38Å; L7-L56 HydrophobicContact CD1-CB 4.37Å; L7-L56 HydrophobicContact CD1-CD1 4.25Å; L37-L56 HydrophobicContact CD2-CD1 3.86Å; L56-V62 WeakPolarHBondContact O-CA 3.48Å; L56-V63 PolarHBondContact N-O 3.04Å; L56-V63 PolarHBondContact O-N 3.28Å; L56-I69 HydrophobicContact CB-CD1 4.13Å; L56-I69 HydrophobicContact CB-CG1 3.95Å; L56-I69 HydrophobicContact CB-CG2 4.02Å; L56-I69 HydrophobicContact CD2-CG2 3.98Å; L56-I69 HydrophobicContact CG-CG2 4.46Å; L56-F72 HydrophobicContact CD2-CD1 3.46Å; L56-F72 VanDerWaalsContact CD2-CD1 3.46Å; L56-F72 HydrophobicContact CD2-CE1 3.78Å; L56-F72 HydrophobicContact CD2-CG 4.4Å; L56-L73 HydrophobicContact CD2-CD2 4.25Å
57V94.3Very high90.1Very high21 Ų2154.8 Ų54.813%0.12731%0.314CS..EExtended strand (participates in β ladder)trans-109.7126.5175.5-174.30000109.1E6 E55 T61 V62E6-V57 HydrophobicContact CB-CB 4.46Å; E6-V57 PolarHBondContact N-O 2.56Å; E6-V57 PolarHBondContact O-N 3.45Å; E55-V57 HydrophobicContact CG-CG2 4.24Å; V57-T61 WeakPolarHBondContact CA-O 3.4Å; V57-V62 HydrophobicContact CG2-CG2 4.37Å
58C93.7Very high90.8Very high17 Ų1750 Ų5012%0.11530%0.295CS..EExtended strand (participates in β ladder)trans-140.999.7177.6-1750000109.5M5 D60 T61 F72M5-C58 HydrophobicContact CG-CB 4.12Å; C58-D60 PolarHBondContact O-N 3.45Å; C58-T61 PolarHBondContact N-O 3.26Å; C58-T61 PolarHBondContact O-N 2.96Å; C58-F72 HydrophobicContact CB-CE1 4.03Å; C58-F72 HydrophobicContact CB-CZ 3.84Å
59G90.1Very high91.5Very high49 Ų4948.2 Ų48.251%0.50528%0.284SS..THydrogen-bonded Turntrans58.7-123.7-168.900000110.5T61G59-T61 VanDerWaalsContact C-N 3.33Å
60D89Confident92.3Very high173 Ų17346.8 Ų46.893%0.92528%0.276SS*.THydrogen-bonded Turntrans-87.5-0.8178.1-57.4-40.9000113.6C58C58-D60 PolarHBondContact O-N 3.45Å
61T93.3Very high93.1Very high67 Ų6745.3 Ų45.341%0.41127%0.265SS..EExtended strand (participates in β ladder)trans-94.1127.8-179.4-530000110.6V57 C58 G59 V63 F72V57-T61 WeakPolarHBondContact CA-O 3.4Å; C58-T61 PolarHBondContact N-O 3.26Å; C58-T61 PolarHBondContact O-N 2.96Å; G59-T61 VanDerWaalsContact C-N 3.33Å; T61-V63 HydrophobicContact CG2-CG2 3.87Å; T61-F72 HydrophobicContact CG2-CE2 3.92Å
62V93.8Very high93.8Very high78 Ų7845 Ų4547%0.47326%0.258SS..EExtended strand (participates in β ladder)trans-116.9125.7172.5-176.90000108.5E55 L56 V57E55-V62 VanDerWaalsContact CD-CG1 3.45Å; E55-V62 HydrophobicContact CG-CG1 3.42Å; E55-V62 VanDerWaalsContact CG-CG1 3.42Å; E55-V62 VanDerWaalsContact OE1-CG1 3.31Å; E55-V62 WeakPolarHBondContact OE1-CG1 3.46Å; L56-V62 WeakPolarHBondContact O-CA 3.48Å; V57-V62 HydrophobicContact CG2-CG2 4.37Å
63V95.2Very high94.3Very high17 Ų1742.3 Ų42.310%0.10324%0.239CC..EExtended strand (participates in β ladder)trans-125.3130.6178.9-170.50000108.9L56 T61 Q68 I69 F72L56-V63 PolarHBondContact N-O 3.04Å; L56-V63 PolarHBondContact O-N 3.28Å; T61-V63 HydrophobicContact CG2-CG2 3.87Å; V63-Q68 HydrophobicContact CG1-CB 3.71Å; V63-I69 HydrophobicContact CB-CG1 4.18Å; V63-I69 HydrophobicContact CG1-CG1 3.94Å; V63-I69 WeakPolarHBondContact O-CG1 3.4Å; V63-F72 HydrophobicContact CG1-CB 4.47Å; V63-F72 HydrophobicContact CG2-CB 4.22Å; V63-F72 HydrophobicContact CG2-CD2 3.83Å; V63-F72 HydrophobicContact CG2-CE2 4.4Å; V63-F72 HydrophobicContact CG2-CG 4.02Å
64Q93.8Very high94.5Very high65 Ų6545.5 Ų45.530%0.30425%0.249SC..EExtended strand (participates in β ladder)trans-116.6165.3179.2-66.5176.7-10.500109.5E55 Q68E55-Q64 HydrophobicContact CB-CG 4.22Å; E55-Q64 HydrophobicContact CG-CG 4.09Å; E55-Q64 PolarHBondContact OE1-NE2 2.97Å; Q64-Q68 WeakPolarHBondContact O-CB 3.49Å; Q64-Q68 PolarHBondContact O-OE1 2.86Å
65E92.8Very high94.5Very high95 Ų9553.5 Ų53.544%0.44428%0.284SS..SBendtrans71136.1-174.7-51.7179.3166.300114.8T67 Q68 I69E65-T67 PolarHBondContact O-N 3.36Å; E65-Q68 HydrophobicContact CB-CG 4.21Å; E65-Q68 PolarHBondContact O-N 2.88Å; E65-Q68 PolarHBondContact OE2-NE2 3.04Å; E65-I69 WeakPolarHBondContact O-CB 2.99Å; E65-I69 VanDerWaalsContact O-CG1 3.25Å; E65-I69 WeakPolarHBondContact O-CG1 3.43Å; E65-I69 PolarHBondContact O-N 3.35Å
66P95.1Very high94.4Very high10 Ų1056.5 Ų56.57%0.06530%0.298CS..Hα-helixtrans-55.5-45.8-177.4-29.536.8000114.4D22 V25 V26 Q68 I69 L70 F201D22-P66 HydrophobicContact CB-CG 3.37Å; V25-P66 HydrophobicContact CB-CB 4.41Å; V25-P66 HydrophobicContact CG1-CB 4.15Å; V26-P66 HydrophobicContact CG2-CB 4.14Å; V26-P66 HydrophobicContact CG2-CG 4.48Å; P66-Q68 PolarHBondContact O-N 3.34Å; P66-I69 PolarHBondContact O-N 2.73Å; P66-L70 WeakPolarHBondContact O-CB 3.44Å; P66-L70 WeakPolarHBondContact O-CD1 3.21Å; P66-L70 PolarHBondContact O-N 3.08Å; P66-F201 HydrophobicContact CB-CE1 4.48Å; P66-F201 HydrophobicContact CB-CZ 4.21Å
67T94.8Very high94.4Very high64 Ų6466.3 Ų66.339%0.39334%0.335SS..Hα-helixtrans-63.2-42.1-176.551.90000111.7E65 N71 F201E65-T67 PolarHBondContact O-N 3.36Å; T67-N71 WeakPolarHBondContact O-CB 3.46Å; T67-N71 PolarHBondContact O-N 2.86Å; T67-N71 PolarHBondContact O-ND2 3Å; T67-N71 PolarHBondContact O-OD1 3.11Å; T67-F201 HydrophobicContact CG2-CZ 3.85Å
68Q96.5Very high94.4Very high91 Ų9168.1 Ų68.143%0.42534%0.341SS..Hα-helixtrans-71-40.2178.3-50.4-174.918.500111.5V63 Q64 E65 P66 N71 F72V63-Q68 HydrophobicContact CG1-CB 3.71Å; Q64-Q68 WeakPolarHBondContact O-CB 3.49Å; Q64-Q68 PolarHBondContact O-OE1 2.86Å; E65-Q68 HydrophobicContact CB-CG 4.21Å; E65-Q68 PolarHBondContact O-N 2.88Å; E65-Q68 PolarHBondContact OE2-NE2 3.04Å; P66-Q68 PolarHBondContact O-N 3.34Å; Q68-N71 WeakPolarHBondContact O-CB 3.39Å; Q68-N71 PolarHBondContact O-N 3.39Å; Q68-F72 WeakPolarHBondContact O-CB 3.17Å; Q68-F72 PolarHBondContact O-N 3.3Å
69I97.3Very high94.5Very high0 Ų068.9 Ų68.90%034%0.344CS..Hα-helixtrans-61.9-46.3175.5-68.7169.1000110.6V26 P54 L56 V63 E65 P66 N71 F72 L73V26-I69 HydrophobicContact CG1-CG2 3.63Å; V26-I69 HydrophobicContact CG2-CB 4.23Å; V26-I69 HydrophobicContact CG2-CD1 4.11Å; V26-I69 HydrophobicContact CG2-CG2 4.02Å; P54-I69 HydrophobicContact CB-CD1 4.33Å; P54-I69 HydrophobicContact CG-CD1 4.04Å; L56-I69 HydrophobicContact CB-CD1 4.13Å; L56-I69 HydrophobicContact CB-CG1 3.95Å; L56-I69 HydrophobicContact CB-CG2 4.02Å; L56-I69 HydrophobicContact CD2-CG2 3.98Å; L56-I69 HydrophobicContact CG-CG2 4.46Å; V63-I69 HydrophobicContact CB-CG1 4.18Å; V63-I69 HydrophobicContact CG1-CG1 3.94Å; V63-I69 WeakPolarHBondContact O-CG1 3.4Å; E65-I69 WeakPolarHBondContact O-CB 2.99Å; E65-I69 VanDerWaalsContact O-CG1 3.25Å; E65-I69 WeakPolarHBondContact O-CG1 3.43Å; E65-I69 PolarHBondContact O-N 3.35Å; P66-I69 PolarHBondContact O-N 2.73Å; I69-N71 VanDerWaalsContact C-N 3.35Å; I69-N71 PolarHBondContact O-N 2.68Å; I69-F72 WeakPolarHBondContact O-CB 3.39Å; I69-F72 PolarHBondContact O-N 3.19Å; I69-F72 VanDerWaalsContact O-N 3.16Å; I69-L73 HydrophobicContact CG2-CD1 4.33Å; I69-L73 WeakPolarHBondContact O-CG 3.49Å; I69-L73 PolarHBondContact O-N 2.93Å
70L96.7Very high94.7Very high1 Ų167.2 Ų67.21%0.00533%0.326CS..Hα-helixtrans-59.9-45.3175.2-92.456.9000110.9V25 V26 Y29 P66 F72 L73 R74 F201V25-L70 HydrophobicContact CG1-CD2 4.45Å; V26-L70 HydrophobicContact CG2-CD1 4.09Å; Y29-L70 HydrophobicContact CD1-CB 4.49Å; Y29-L70 HydrophobicContact CD1-CD1 3.96Å; Y29-L70 HydrophobicContact CD1-CD2 4.42Å; Y29-L70 HydrophobicContact CD1-CG 3.59Å; Y29-L70 HydrophobicContact CD2-CD2 3.75Å; Y29-L70 HydrophobicContact CD2-CG 3.84Å; Y29-L70 HydrophobicContact CE1-CB 4.4Å; Y29-L70 HydrophobicContact CE1-CG 3.92Å; Y29-L70 HydrophobicContact CE2-CD2 4.16Å; Y29-L70 HydrophobicContact CE2-CG 4.16Å; Y29-L70 HydrophobicContact CG-CD1 3.87Å; Y29-L70 HydrophobicContact CG-CD2 3.87Å; Y29-L70 HydrophobicContact CG-CG 3.52Å; P66-L70 WeakPolarHBondContact O-CB 3.44Å; P66-L70 WeakPolarHBondContact O-CD1 3.21Å; P66-L70 PolarHBondContact O-N 3.08Å; L70-F72 VanDerWaalsContact C-N 3.29Å; L70-F72 PolarHBondContact O-N 3.35Å; L70-L73 PolarHBondContact O-N 2.74Å; L70-R74 WeakPolarHBondContact O-CG 2.98Å; L70-R74 PolarHBondContact O-N 3.32Å; L70-F201 HydrophobicContact CD2-CD2 4.34Å; L70-F201 HydrophobicContact CD2-CE2 3.61Å; L70-F201 HydrophobicContact CD2-CZ 4.42Å
71N96.2Very high94.9Very high73 Ų7360.1 Ų60.139%0.3929%0.288SS..Hα-helixtrans-58.9-40.5174.7-69.9-20.6000112.2T67 Q68 I69 R74 K75T67-N71 WeakPolarHBondContact O-CB 3.46Å; T67-N71 PolarHBondContact O-N 2.86Å; T67-N71 PolarHBondContact O-ND2 3Å; T67-N71 PolarHBondContact O-OD1 3.11Å; Q68-N71 WeakPolarHBondContact O-CB 3.39Å; Q68-N71 PolarHBondContact O-N 3.39Å; I69-N71 VanDerWaalsContact C-N 3.35Å; I69-N71 PolarHBondContact O-N 2.68Å; N71-R74 PolarHBondContact O-N 3.14Å; N71-R74 PolarHBondContact OD1-NH1 3.14Å; N71-K75 WeakPolarHBondContact O-CG 3.37Å; N71-K75 PolarHBondContact O-N 3.17Å; N71-K75 VanDerWaalsContact O-N 3.13Å
72F96.6Very high94.7Very high26 Ų2663.7 Ų63.711%0.11430%0.295CS..Hα-helixtrans-63.1-47.1175.4178.2-90.2000111.3L56 C58 T61 V63 Q68 I69 L70 R74 K75 Q76L56-F72 HydrophobicContact CD2-CD1 3.46Å; L56-F72 VanDerWaalsContact CD2-CD1 3.46Å; L56-F72 HydrophobicContact CD2-CE1 3.78Å; L56-F72 HydrophobicContact CD2-CG 4.4Å; C58-F72 HydrophobicContact CB-CE1 4.03Å; C58-F72 HydrophobicContact CB-CZ 3.84Å; T61-F72 HydrophobicContact CG2-CE2 3.92Å; V63-F72 HydrophobicContact CG1-CB 4.47Å; V63-F72 HydrophobicContact CG2-CB 4.22Å; V63-F72 HydrophobicContact CG2-CD2 3.83Å; V63-F72 HydrophobicContact CG2-CE2 4.4Å; V63-F72 HydrophobicContact CG2-CG 4.02Å; Q68-F72 WeakPolarHBondContact O-CB 3.17Å; Q68-F72 PolarHBondContact O-N 3.3Å; I69-F72 WeakPolarHBondContact O-CB 3.39Å; I69-F72 PolarHBondContact O-N 3.19Å; I69-F72 VanDerWaalsContact O-N 3.16Å; L70-F72 VanDerWaalsContact C-N 3.29Å; L70-F72 PolarHBondContact O-N 3.35Å; F72-R74 VanDerWaalsContact C-N 3.32Å; F72-R74 PolarHBondContact O-N 2.93Å; F72-K75 WeakPolarHBondContact O-CB 3.34Å; F72-K75 PolarHBondContact O-N 2.79Å; F72-K75 VanDerWaalsContact O-N 3.11Å; F72-Q76 HydrophobicContact CD1-CG 4.18Å; F72-Q76 HydrophobicContact CE1-CG 3.77Å; F72-Q76 HydrophobicContact CZ-CG 4.05Å; F72-Q76 WeakPolarHBondContact O-CG 3.3Å; F72-Q76 PolarHBondContact O-N 3.31Å; F72-Q76 VanDerWaalsContact O-N 3.08Å
73L96Very high94.5Very high0 Ų066.5 Ų66.50%030%0.303CS..Hα-helixtrans-59.2-42176.5-69.7176.1000111.8M5 Y29 A35 L37 L56 I69 L70 K75 Q76 R77 F78M5-L73 HydrophobicContact CE-CD2 4.45Å; M5-L73 HydrophobicContact SD-CD2 3.73Å; Y29-L73 HydrophobicContact CD1-CD1 3.85Å; Y29-L73 HydrophobicContact CE1-CB 4.15Å; Y29-L73 HydrophobicContact CE1-CD1 4.24Å; A35-L73 HydrophobicContact CB-CD2 4.29Å; L37-L73 HydrophobicContact CD2-CD2 4.44Å; L56-L73 HydrophobicContact CD2-CD2 4.25Å; I69-L73 HydrophobicContact CG2-CD1 4.33Å; I69-L73 WeakPolarHBondContact O-CG 3.49Å; I69-L73 PolarHBondContact O-N 2.93Å; L70-L73 PolarHBondContact O-N 2.74Å; L73-K75 VanDerWaalsContact C-N 3.32Å; L73-K75 PolarHBondContact O-N 2.71Å; L73-Q76 CarbonylContact O-C 3.6Å; L73-Q76 WeakPolarHBondContact O-CA 3.45Å; L73-Q76 WeakPolarHBondContact O-CB 3.23Å; L73-Q76 PolarHBondContact O-N 2.82Å; L73-R77 PolarHBondContact O-N 2.79Å; L73-F78 CarbonylContact C-O 3.21Å; L73-F78 HydrophobicContact CB-CB 4.18Å; L73-F78 WeakPolarHBondContact O-CB 3.36Å; L73-F78 PolarHBondContact O-N 3.43Å
74R95.2Very high94.4Very high79 Ų7967.5 Ų67.530%0.29831%0.307SS..Hα-helixtrans-59.1-41.8174.6-67.6-164.6-150.3104.16.7112.1Y29 L70 N71 F72 Q76 R77 F78 N79 D81Y29-R74 WeakPolarHBondContact OH-CG 3.41Å; Y29-R74 PolarHBondContact OH-NE 3.11Å; L70-R74 WeakPolarHBondContact O-CG 2.98Å; L70-R74 PolarHBondContact O-N 3.32Å; N71-R74 PolarHBondContact O-N 3.14Å; N71-R74 PolarHBondContact OD1-NH1 3.14Å; F72-R74 VanDerWaalsContact C-N 3.32Å; F72-R74 PolarHBondContact O-N 2.93Å; R74-Q76 PolarHBondContact O-N 3.35Å; R74-R77 PolarHBondContact O-N 3.34Å; R74-F78 WeakPolarHBondContact CA-O 3.41Å; R74-F78 PolarHBondContact N-O 3.32Å; R74-N79 HydrophobicContact CB-CB 4.4Å; R74-N79 WeakPolarHBondContact CD-OD1 3.33Å; R74-N79 HydrophobicContact CG-CB 3.98Å; R74-D81 IonicContact CZ-OD2 3.64Å; R74-D81 IonicContact NE-OD2 3.83Å; R74-D81 PolarHBondContact NE-OD2 2.88Å; R74-D81 VanDerWaalsContact NE-OD2 3.16Å; R74-D81 IonicContact NH2-OD2 2.63Å
75K94.6Very high94.5Very high169 Ų16968.2 Ų68.274%0.73532%0.316SS*.Hα-helixtrans-62.3-32.4174.9-69.7174.2-178.2179.50112N71 F72 L73 R77N71-K75 WeakPolarHBondContact O-CG 3.37Å; N71-K75 PolarHBondContact O-N 3.17Å; N71-K75 VanDerWaalsContact O-N 3.13Å; F72-K75 WeakPolarHBondContact O-CB 3.34Å; F72-K75 PolarHBondContact O-N 2.79Å; F72-K75 VanDerWaalsContact O-N 3.11Å; L73-K75 VanDerWaalsContact C-N 3.32Å; L73-K75 PolarHBondContact O-N 2.71Å; K75-R77 PolarHBondContact O-N 3.4Å
76Q93Very high94.6Very high91 Ų9168.2 Ų68.243%0.42533%0.333SS..THydrogen-bonded Turntrans-8216174-59.2-59-22.200113.9F72 L73 R74 F78F72-Q76 HydrophobicContact CD1-CG 4.18Å; F72-Q76 HydrophobicContact CE1-CG 3.77Å; F72-Q76 HydrophobicContact CZ-CG 4.05Å; F72-Q76 WeakPolarHBondContact O-CG 3.3Å; F72-Q76 PolarHBondContact O-N 3.31Å; F72-Q76 VanDerWaalsContact O-N 3.08Å; L73-Q76 CarbonylContact O-C 3.6Å; L73-Q76 WeakPolarHBondContact O-CA 3.45Å; L73-Q76 WeakPolarHBondContact O-CB 3.23Å; L73-Q76 PolarHBondContact O-N 2.82Å; R74-Q76 PolarHBondContact O-N 3.35Å; Q76-F78 HydrophobicContact CB-CD2 3.9Å; Q76-F78 HydrophobicContact CB-CE2 4.28Å; Q76-F78 WeakPolarHBondContact O-CD2 3.5Å; Q76-F78 PolarHBondContact O-N 2.8Å
77R94Very high94.7Very high206 Ų20677 Ų7778%0.77737%0.365SS*.THydrogen-bonded Turntrans67.815.3-179.3-51-66.7-173.4149.7-0.7115L73 R74 K75 Y82L73-R77 PolarHBondContact O-N 2.79Å; R74-R77 PolarHBondContact O-N 3.34Å; K75-R77 PolarHBondContact O-N 3.4Å; R77-Y82 PolarHBondContact O-OH 2.88Å
78F95.2Very high94.7Very high60 Ų6076.4 Ų76.426%0.26336%0.357SS..  trans-99.287.8169.8-61.7-70.3000109M5 A35 L73 R74 Q76M5-F78 HydrophobicContact CE-CD2 4.02Å; M5-F78 HydrophobicContact CE-CE2 3.5Å; M5-F78 VanDerWaalsContact CE-CE2 3.5Å; M5-F78 HydrophobicContact CE-CZ 4.14Å; M5-F78 HydrophobicContact SD-CE2 4.5Å; A35-F78 HydrophobicContact CB-CB 4.01Å; A35-F78 HydrophobicContact CB-CD1 3.77Å; A35-F78 HydrophobicContact CB-CD2 4.15Å; A35-F78 HydrophobicContact CB-CE1 4.27Å; A35-F78 HydrophobicContact CB-CG 3.7Å; L73-F78 CarbonylContact C-O 3.21Å; L73-F78 HydrophobicContact CB-CB 4.18Å; L73-F78 WeakPolarHBondContact O-CB 3.36Å; L73-F78 PolarHBondContact O-N 3.43Å; R74-F78 WeakPolarHBondContact CA-O 3.41Å; R74-F78 PolarHBondContact N-O 3.32Å; Q76-F78 HydrophobicContact CB-CD2 3.9Å; Q76-F78 HydrophobicContact CB-CE2 4.28Å; Q76-F78 WeakPolarHBondContact O-CD2 3.5Å; Q76-F78 PolarHBondContact O-N 2.8Å
79N94.8Very high94.7Very high32 Ų3273.2 Ų73.217%0.17135%0.349CS..  trans-122.9119.6179.6-174.917.2000110.7Y29 R74 D81 Y82Y29-N79 WeakPolarHBondContact OH-CA 3.26Å; Y29-N79 PolarHBondContact OH-OD1 3.41Å; R74-N79 HydrophobicContact CB-CB 4.4Å; R74-N79 WeakPolarHBondContact CD-OD1 3.33Å; R74-N79 HydrophobicContact CG-CB 3.98Å; N79-D81 VanDerWaalsContact C-N 3.26Å; N79-D81 VanDerWaalsContact OD1-CB 3.3Å; N79-D81 WeakPolarHBondContact OD1-CB 3.4Å; N79-D81 PolarHBondContact OD1-N 3.09Å; N79-D81 PolarHBondContact OD1-OD2 2.81Å; N79-Y82 HydrophobicContact CB-CD1 4.33Å; N79-Y82 HydrophobicContact CB-CD2 3.84Å; N79-Y82 HydrophobicContact CB-CE1 4.01Å; N79-Y82 HydrophobicContact CB-CE2 3.5Å; N79-Y82 HydrophobicContact CB-CG 4.22Å; N79-Y82 WeakPolarHBondContact O-CD2 3.47Å; N79-Y82 WeakPolarHBondContact O-CE2 3.22Å
80A94Very high94.7Very high14 Ų1475.7 Ų75.712%0.11637%0.369CS..THydrogen-bonded Turntrans-78.7-12.4173.100000112.7Y29 F32Y29-A80 HydrophobicContact CD2-CB 4.12Å; Y29-A80 HydrophobicContact CE2-CB 3.62Å; Y29-A80 PolarHBondContact OH-N 3.45Å; F32-A80 HydrophobicContact CB-CB 3.98Å
81D94.6Very high94.7Very high24 Ų2478 Ų7813%0.12838%0.381CS..THydrogen-bonded Turntrans-99.116-171.3-50.2-49.2000112.7R74 N79 E83 L84 S197R74-D81 IonicContact CZ-OD2 3.64Å; R74-D81 IonicContact NE-OD2 3.83Å; R74-D81 PolarHBondContact NE-OD2 2.88Å; R74-D81 VanDerWaalsContact NE-OD2 3.16Å; R74-D81 IonicContact NH2-OD2 2.63Å; N79-D81 VanDerWaalsContact C-N 3.26Å; N79-D81 VanDerWaalsContact OD1-CB 3.3Å; N79-D81 WeakPolarHBondContact OD1-CB 3.4Å; N79-D81 PolarHBondContact OD1-N 3.09Å; N79-D81 PolarHBondContact OD1-OD2 2.81Å; D81-E83 VanDerWaalsContact C-N 3.28Å; D81-E83 PolarHBondContact O-N 3.29Å; D81-L84 HydrophobicContact CB-CD1 3.85Å; D81-L84 HydrophobicContact CB-CG 4.2Å; D81-L84 WeakPolarHBondContact O-CB 3.33Å; D81-L84 PolarHBondContact O-N 2.86Å; D81-S197 VanDerWaalsContact OD1-CB 3.25Å; D81-S197 WeakPolarHBondContact OD1-CB 3.26Å; D81-S197 PolarHBondContact OD1-N 3.3Å; D81-S197 PolarHBondContact OD1-OG 3.44Å; D81-S197 WeakPolarHBondContact OD2-CB 3.25Å; D81-S197 PolarHBondContact OD2-OG 3.46Å; D81-S197 VanDerWaalsContact OD2-OG 3.09Å
82Y89.6Confident94.7Very high142 Ų14274.9 Ų74.956%0.55737%0.365SS*.THydrogen-bonded Turntrans-61.3-33.9-173.2-84.8-56.8000114R77 N79 L84R77-Y82 PolarHBondContact O-OH 2.88Å; N79-Y82 HydrophobicContact CB-CD1 4.33Å; N79-Y82 HydrophobicContact CB-CD2 3.84Å; N79-Y82 HydrophobicContact CB-CE1 4.01Å; N79-Y82 HydrophobicContact CB-CE2 3.5Å; N79-Y82 HydrophobicContact CB-CG 4.22Å; N79-Y82 WeakPolarHBondContact O-CD2 3.47Å; N79-Y82 WeakPolarHBondContact O-CE2 3.22Å; Y82-L84 VanDerWaalsContact C-N 3.34Å
83E89.6Confident94.7Very high138 Ų13879.9 Ų79.965%0.64539%0.391SS*.THydrogen-bonded Turntrans-90.5-0.5-176.4-61.1-177.216500112.6D81 S194D81-E83 VanDerWaalsContact C-N 3.28Å; D81-E83 PolarHBondContact O-N 3.29Å; E83-S194 PolarHBondContact OE2-OG 2.82Å
84L93.1Very high94.8Very high38 Ų3882.8 Ų82.820%0.19942%0.415CS..  trans-74.3131.4-178-67.5-169.4000111.9D81 Y82 Q88 F191 T196D81-L84 HydrophobicContact CB-CD1 3.85Å; D81-L84 HydrophobicContact CB-CG 4.2Å; D81-L84 WeakPolarHBondContact O-CB 3.33Å; D81-L84 PolarHBondContact O-N 2.86Å; Y82-L84 VanDerWaalsContact C-N 3.34Å; L84-Q88 HydrophobicContact CB-CB 4.3Å; L84-Q88 HydrophobicContact CD2-CB 3.93Å; L84-F191 HydrophobicContact CD1-CE2 4.32Å; L84-F191 HydrophobicContact CD2-CB 4.25Å; L84-F191 HydrophobicContact CD2-CD2 3.71Å; L84-F191 HydrophobicContact CD2-CE2 4.18Å; L84-F191 HydrophobicContact CD2-CG 3.98Å; L84-T196 HydrophobicContact CD1-CG2 4.43Å; L84-T196 HydrophobicContact CD2-CG2 3.96Å; L84-T196 HydrophobicContact CG-CG2 4.37Å
85T95.1Very high95Very high79 Ų7981.3 Ų81.349%0.48541%0.409SS..  trans-68.5159.4166.463.90000110.9R87 Q88 G89T85-R87 PolarHBondContact O-N 3.38Å; T85-Q88 PolarHBondContact O-N 2.85Å; T85-Q88 VanDerWaalsContact OG1-CG 3.27Å; T85-Q88 WeakPolarHBondContact OG1-CG 3.35Å; T85-Q88 PolarHBondContact OG1-N 3.13Å; T85-Q88 PolarHBondContact OG1-OE1 3.45Å; T85-G89 PolarHBondContact O-N 3.29Å
86A95Very high95.1Very high96 Ų9674.5 Ų74.579%0.79338%0.381SS*.Hα-helixtrans-55.5-35.9176.900000112.9G89 A90A86-G89 PolarHBondContact O-N 3.22Å; A86-A90 PolarHBondContact O-N 3.37Å
87R96.3Very high95.3Very high195 Ų19572.8 Ų72.874%0.73638%0.382SS*.Hα-helixtrans-65.4-49.2175-177.7176.7179160.61.2111.6T85 G89 A90 D91T85-R87 PolarHBondContact O-N 3.38Å; R87-G89 VanDerWaalsContact C-N 3.25Å; R87-G89 PolarHBondContact O-N 2.9Å; R87-A90 WeakPolarHBondContact O-CB 3.46Å; R87-A90 PolarHBondContact O-N 3.16Å; R87-A90 VanDerWaalsContact O-N 3.11Å; R87-D91 VanDerWaalsContact O-CG 3.31Å; R87-D91 PolarHBondContact O-N 3.46Å
88Q96.1Very high95.5Very high50 Ų5064.9 Ų64.923%0.23436%0.355CS..Hα-helixtrans-64-32.6177.4-68.2165.5-45.700112L84 T85 D91 T92 F191L84-Q88 HydrophobicContact CB-CB 4.3Å; L84-Q88 HydrophobicContact CD2-CB 3.93Å; T85-Q88 PolarHBondContact O-N 2.85Å; T85-Q88 VanDerWaalsContact OG1-CG 3.27Å; T85-Q88 WeakPolarHBondContact OG1-CG 3.35Å; T85-Q88 PolarHBondContact OG1-N 3.13Å; T85-Q88 PolarHBondContact OG1-OE1 3.45Å; Q88-D91 PolarHBondContact O-N 2.93Å; Q88-T92 WeakPolarHBondContact O-CB 3.3Å; Q88-T92 PolarHBondContact O-N 3.1Å; Q88-T92 PolarHBondContact O-OG1 3.09Å; Q88-F191 HydrophobicContact CB-CD1 3.97Å; Q88-F191 HydrophobicContact CB-CE1 3.63Å; Q88-F191 HydrophobicContact CB-CZ 3.95Å; Q88-F191 HydrophobicContact CG-CD1 3.63Å; Q88-F191 HydrophobicContact CG-CE1 3.61Å; Q88-F191 HydrophobicContact CG-CG 4.45Å; Q88-F191 HydrophobicContact CG-CZ 4.43Å; Q88-F191 WeakPolarHBondContact O-CZ 3.28Å
89G95.3Very high95.7Very high25 Ų2562 Ų6226%0.25834%0.342SS..Hα-helixtrans-63.5-42.2171.400000112.7T85 A86 R87 T92 M93T85-G89 PolarHBondContact O-N 3.29Å; A86-G89 PolarHBondContact O-N 3.22Å; R87-G89 VanDerWaalsContact C-N 3.25Å; R87-G89 PolarHBondContact O-N 2.9Å; G89-T92 WeakPolarHBondContact O-CB 3.49Å; G89-T92 PolarHBondContact O-N 2.67Å; G89-M93 PolarHBondContact O-N 3.49Å
90A96.9Very high95.8Very high51 Ų5162.8 Ų62.842%0.42135%0.345SS..Hα-helixtrans-64.9-44.5173.200000111.8A86 R87 T92 M93 A94A86-A90 PolarHBondContact O-N 3.37Å; R87-A90 WeakPolarHBondContact O-CB 3.46Å; R87-A90 PolarHBondContact O-N 3.16Å; R87-A90 VanDerWaalsContact O-N 3.11Å; A90-T92 VanDerWaalsContact C-N 3.3Å; A90-T92 PolarHBondContact O-N 3.35Å; A90-M93 PolarHBondContact O-N 2.97Å; A90-A94 PolarHBondContact O-N 3.48Å
91D96.8Very high95.9Very high49 Ų4966.7 Ų66.726%0.26236%0.361SS..Hα-helixtrans-60-41.7176-66.3-21000110.9R87 Q88 M93 A94 Y95 F191R87-D91 VanDerWaalsContact O-CG 3.31Å; R87-D91 PolarHBondContact O-N 3.46Å; Q88-D91 PolarHBondContact O-N 2.93Å; D91-M93 PolarHBondContact O-N 2.96Å; D91-A94 PolarHBondContact O-N 2.94Å; D91-Y95 HydrophobicContact CB-CD2 4.46Å; D91-Y95 WeakPolarHBondContact O-CD2 3.33Å; D91-Y95 PolarHBondContact O-N 3.13Å; D91-F191 HydrophobicContact CB-CE1 4.44Å; D91-F191 HydrophobicContact CB-CZ 4.3Å
92T96.9Very high96Very high8 Ų868.2 Ų68.25%0.04937%0.366CS..Hα-helixtrans-56.3-49.2175.6-63.90000111.4Q88 G89 A90 A94 Y95 I96 F191 S197 L198Q88-T92 WeakPolarHBondContact O-CB 3.3Å; Q88-T92 PolarHBondContact O-N 3.1Å; Q88-T92 PolarHBondContact O-OG1 3.09Å; G89-T92 WeakPolarHBondContact O-CB 3.49Å; G89-T92 PolarHBondContact O-N 2.67Å; A90-T92 VanDerWaalsContact C-N 3.3Å; A90-T92 PolarHBondContact O-N 3.35Å; T92-A94 VanDerWaalsContact C-N 3.34Å; T92-A94 PolarHBondContact O-N 3.14Å; T92-Y95 PolarHBondContact O-N 3.31Å; T92-I96 HydrophobicContact CG2-CD1 3.73Å; T92-I96 HydrophobicContact CG2-CG1 4.5Å; T92-I96 WeakPolarHBondContact O-CB 3.39Å; T92-I96 VanDerWaalsContact O-CG1 3.26Å; T92-I96 WeakPolarHBondContact O-CG1 3.39Å; T92-I96 PolarHBondContact O-N 2.95Å; T92-F191 VanDerWaalsContact OG1-CE2 3.23Å; T92-F191 WeakPolarHBondContact OG1-CE2 3.22Å; T92-F191 WeakPolarHBondContact OG1-CZ 3.44Å; T92-S197 WeakPolarHBondContact CG2-OG 3.4Å; T92-L198 HydrophobicContact CG2-CB 4.05Å
93M96.9Very high96.4Very high132 Ų13261.4 Ų61.465%0.6534%0.34SS*.Hα-helixtrans-62.8-41.1177.5-69.6-173.3-71.100111.8G89 A90 D91 I96 A97G89-M93 PolarHBondContact O-N 3.49Å; A90-M93 PolarHBondContact O-N 2.97Å; D91-M93 PolarHBondContact O-N 2.96Å; M93-I96 PolarHBondContact O-N 2.93Å; M93-A97 WeakPolarHBondContact O-CB 3.13Å; M93-A97 PolarHBondContact O-N 3.39Å
94A98.1Very high96.8Very high61 Ų6155.6 Ų55.650%0.50431%0.312SS..Hα-helixtrans-63.6-44.6178.700000112.2A90 D91 T92 A97 L98A90-A94 PolarHBondContact O-N 3.48Å; D91-A94 PolarHBondContact O-N 2.94Å; T92-A94 VanDerWaalsContact C-N 3.34Å; T92-A94 PolarHBondContact O-N 3.14Å; A94-A97 PolarHBondContact O-N 3.12Å; A94-L98 WeakPolarHBondContact O-CB 3.49Å; A94-L98 PolarHBondContact O-N 2.93Å
95Y98.3Very high96.9Very high47 Ų4754 Ų5418%0.18430%0.304CS..Hα-helixtrans-71.3-35.9177.9-79.5-70.5000113.1D91 T92 A97 L98 L99 L180 R183 L198D91-Y95 HydrophobicContact CB-CD2 4.46Å; D91-Y95 WeakPolarHBondContact O-CD2 3.33Å; D91-Y95 PolarHBondContact O-N 3.13Å; T92-Y95 PolarHBondContact O-N 3.31Å; Y95-A97 VanDerWaalsContact C-N 3.33Å; Y95-L98 HydrophobicContact CD1-CD2 4.12Å; Y95-L98 HydrophobicContact CE1-CD2 4.42Å; Y95-L98 WeakPolarHBondContact O-CB 3.36Å; Y95-L98 PolarHBondContact O-N 2.95Å; Y95-L99 WeakPolarHBondContact O-CG 3.48Å; Y95-L99 PolarHBondContact O-N 3.33Å; Y95-L180 HydrophobicContact CD1-CD2 3.94Å; Y95-R183 HydrophobicContact CE1-CB 4.14Å; Y95-R183 HydrophobicContact CE1-CG 4.24Å; Y95-R183 HydrophobicContact CE2-CG 3.78Å; Y95-R183 WeakPolarHBondContact OH-CB 3.46Å; Y95-R183 WeakPolarHBondContact OH-CD 3.23Å; Y95-R183 WeakPolarHBondContact OH-CG 3.27Å; Y95-L198 VanDerWaalsContact CB-CD1 3.46Å; Y95-L198 HydrophobicContact CD2-CD2 4.09Å; Y95-L198 HydrophobicContact CG-CD1 4.42Å; Y95-L198 HydrophobicContact CG-CD2 4.29Å
96I97.9Very high97Very high26 Ų2650.3 Ų50.313%0.13328%0.281CS..Hα-helixtrans-62.6-44172-70169.8000110T92 M93 L98 L99 E100 L198 F201T92-I96 HydrophobicContact CG2-CD1 3.73Å; T92-I96 HydrophobicContact CG2-CG1 4.5Å; T92-I96 WeakPolarHBondContact O-CB 3.39Å; T92-I96 VanDerWaalsContact O-CG1 3.26Å; T92-I96 WeakPolarHBondContact O-CG1 3.39Å; T92-I96 PolarHBondContact O-N 2.95Å; M93-I96 PolarHBondContact O-N 2.93Å; I96-L98 VanDerWaalsContact C-N 3.29Å; I96-L98 PolarHBondContact O-N 3.26Å; I96-L99 WeakPolarHBondContact O-CB 3.5Å; I96-L99 PolarHBondContact O-N 3.02Å; I96-E100 HydrophobicContact CG2-CG 4.43Å; I96-E100 WeakPolarHBondContact O-CG 3.3Å; I96-E100 PolarHBondContact O-N 3.46Å; I96-L198 HydrophobicContact CG1-CD1 4.33Å; I96-F201 HydrophobicContact CD1-CD2 3.53Å; I96-F201 HydrophobicContact CD1-CE2 3.82Å; I96-F201 HydrophobicContact CD1-CG 4.1Å; I96-F201 HydrophobicContact CG1-CB 4.03Å; I96-F201 HydrophobicContact CG1-CD1 4.45Å; I96-F201 HydrophobicContact CG1-CD2 3.84Å; I96-F201 HydrophobicContact CG1-CE2 4.42Å; I96-F201 HydrophobicContact CG1-CG 3.86Å; I96-F201 HydrophobicContact CG2-CD1 4.03Å; I96-F201 HydrophobicContact CG2-CD2 4.45Å; I96-F201 HydrophobicContact CG2-CE1 4.01Å; I96-F201 HydrophobicContact CG2-CE2 4.43Å; I96-F201 HydrophobicContact CG2-CG 4.26Å; I96-F201 HydrophobicContact CG2-CZ 4.23Å
97A97.8Very high97.1Very high55 Ų5546 Ų4646%0.45525%0.245SC..Hα-helixtrans-60.9-39.7174.200000111.7M93 A94 Y95 E100 E101M93-A97 WeakPolarHBondContact O-CB 3.13Å; M93-A97 PolarHBondContact O-N 3.39Å; A94-A97 PolarHBondContact O-N 3.12Å; Y95-A97 VanDerWaalsContact C-N 3.33Å; A97-E100 PolarHBondContact O-N 2.75Å; A97-E101 WeakPolarHBondContact O-CB 3.33Å; A97-E101 PolarHBondContact O-N 2.91Å
98L98.1Very high97.2Very high40 Ų4038.1 Ų38.121%0.20922%0.217CC..Hα-helixtrans-62.5-43174.9-174.572.3000112.1A94 Y95 I96 K102 C176 L179A94-L98 WeakPolarHBondContact O-CB 3.49Å; A94-L98 PolarHBondContact O-N 2.93Å; Y95-L98 HydrophobicContact CD1-CD2 4.12Å; Y95-L98 HydrophobicContact CE1-CD2 4.42Å; Y95-L98 WeakPolarHBondContact O-CB 3.36Å; Y95-L98 PolarHBondContact O-N 2.95Å; I96-L98 VanDerWaalsContact C-N 3.29Å; I96-L98 PolarHBondContact O-N 3.26Å; L98-K102 HydrophobicContact CD1-CB 4.34Å; L98-K102 HydrophobicContact CD1-CG 3.76Å; L98-K102 VanDerWaalsContact O-CB 3.3Å; L98-K102 WeakPolarHBondContact O-CB 3.41Å; L98-K102 PolarHBondContact O-N 3.29Å; L98-C176 HydrophobicContact CG-CB 4.42Å; L98-L179 HydrophobicContact CD2-CB 4.25Å; L98-L179 HydrophobicContact CD2-CD1 3.94Å
99L98.4Very high97.2Very high0 Ų036 Ų360%021%0.207CC..Iπ-helixtrans-61.8-49176.2-77.7166.7000111.4Y95 I96 E101 L103 R104 L180 F201 A202 F205Y95-L99 WeakPolarHBondContact O-CG 3.48Å; Y95-L99 PolarHBondContact O-N 3.33Å; I96-L99 WeakPolarHBondContact O-CB 3.5Å; I96-L99 PolarHBondContact O-N 3.02Å; L99-E101 VanDerWaalsContact C-N 3.35Å; L99-E101 PolarHBondContact O-N 2.91Å; L99-L103 HydrophobicContact CD2-CB 4.33Å; L99-L103 HydrophobicContact CD2-CD2 3.63Å; L99-L103 WeakPolarHBondContact O-CA 3.41Å; L99-L103 WeakPolarHBondContact O-CB 3.42Å; L99-L103 PolarHBondContact O-N 3.43Å; L99-R104 PolarHBondContact O-N 3.43Å; L99-L180 HydrophobicContact CD2-CD1 3.54Å; L99-L180 HydrophobicContact CG-CD1 4.36Å; L99-F201 HydrophobicContact CD1-CB 3.94Å; L99-A202 HydrophobicContact CD1-CB 4.44Å; L99-F205 HydrophobicContact CB-CD1 4.31Å; L99-F205 HydrophobicContact CB-CE1 4.11Å; L99-F205 HydrophobicContact CB-CZ 4.28Å; L99-F205 HydrophobicContact CD2-CB 4.26Å; L99-F205 HydrophobicContact CD2-CD1 4.29Å; L99-F205 HydrophobicContact CD2-CG 4.29Å; L99-F205 WeakPolarHBondContact O-CE1 3.49Å
100E96.9Very high97.3Very high48 Ų4834.9 Ų34.922%0.22420%0.195CC..Iπ-helixtrans-61.5-43.9178.9-73.4-67.5156.700111.9I96 A97 R104 R149I96-E100 HydrophobicContact CG2-CG 4.43Å; I96-E100 WeakPolarHBondContact O-CG 3.3Å; I96-E100 PolarHBondContact O-N 3.46Å; A97-E100 PolarHBondContact O-N 2.75Å; E100-R104 VanDerWaalsContact CD-NE 3.35Å; E100-R104 VanDerWaalsContact O-CB 3.23Å; E100-R104 WeakPolarHBondContact O-CB 3.28Å; E100-R104 IonicContact OE1-CZ 3.76Å; E100-R104 IonicContact OE1-NE 2.73Å; E100-R104 PolarHBondContact OE1-NE 3.29Å; E100-R104 IonicContact OE1-NH2 3.25Å; E100-R104 PolarHBondContact OE1-NH2 3.16Å; E100-R104 WeakPolarHBondContact OE2-CD 3.3Å; E100-R104 IonicContact OE2-CZ 3.55Å; E100-R104 IonicContact OE2-NE 3.46Å; E100-R104 PolarHBondContact OE2-NE 2.98Å; E100-R104 IonicContact OE2-NH2 2.79Å; E100-R104 PolarHBondContact OE2-NH2 3.27Å; E100-R149 IonicContact OE2-NH2 3.46Å; E100-R149 PolarHBondContact OE2-NH2 3.36Å
101E96.1Very high97.3Very high97 Ų9733.2 Ų33.245%0.45318%0.178SC..Iπ-helixtrans-80.9-46.1-173.8-171.459.6-167.600110.8A97 L99 P105 R154A97-E101 WeakPolarHBondContact O-CB 3.33Å; A97-E101 PolarHBondContact O-N 2.91Å; L99-E101 VanDerWaalsContact C-N 3.35Å; L99-E101 PolarHBondContact O-N 2.91Å; E101-P105 WeakPolarHBondContact O-CD 3.13Å; E101-P105 WeakPolarHBondContact O-CG 3.48Å; E101-R154 VanDerWaalsContact CG-NH1 3.27Å; E101-R154 PolarHBondContact O-NH1 3.43Å; E101-R154 PolarHBondContact O-NH2 3.33Å; E101-R154 IonicContact OE1-CZ 3.43Å; E101-R154 IonicContact OE1-NH1 3.3Å; E101-R154 PolarHBondContact OE1-NH1 2.98Å; E101-R154 IonicContact OE2-NH1 3.79Å
102K96.9Very high97.3Very high55 Ų5532.2 Ų32.224%0.23917%0.171CC..Iπ-helixtrans-98.4-40.5-170.2-64.6-76.5-177.8172.90113.5L98 D172 C176L98-K102 HydrophobicContact CD1-CB 4.34Å; L98-K102 HydrophobicContact CD1-CG 3.76Å; L98-K102 VanDerWaalsContact O-CB 3.3Å; L98-K102 WeakPolarHBondContact O-CB 3.41Å; L98-K102 PolarHBondContact O-N 3.29Å; K102-D172 HydrophobicContact CD-CB 3.53Å; K102-D172 VanDerWaalsContact CD-CG 3.49Å; K102-D172 WeakPolarHBondContact CD-OD2 3.5Å; K102-D172 IonicContact NZ-OD1 3.86Å; K102-D172 PolarHBondContact NZ-OD1 2.84Å; K102-D172 IonicContact NZ-OD2 2.81Å; K102-D172 PolarHBondContact NZ-OD2 2.8Å; K102-C176 HydrophobicContact CB-CB 3.75Å
103L97.9Very high97.2Very high0 Ų033.4 Ų33.40%018%0.178CC..Iπ-helixtrans-88.7-40-175.1-17557.3000112.9L99 A106 L107 A173 L177 F205 L206 L219L99-L103 HydrophobicContact CD2-CB 4.33Å; L99-L103 HydrophobicContact CD2-CD2 3.63Å; L99-L103 WeakPolarHBondContact O-CA 3.41Å; L99-L103 WeakPolarHBondContact O-CB 3.42Å; L99-L103 PolarHBondContact O-N 3.43Å; L103-A106 PolarHBondContact O-N 3.18Å; L103-L107 HydrophobicContact CD1-CG 4.3Å; L103-L107 HydrophobicContact CG-CD1 4.08Å; L103-L107 HydrophobicContact CG-CG 4.17Å; L103-L107 PolarHBondContact O-N 2.91Å; L103-L107 VanDerWaalsContact O-N 3.09Å; L103-A173 HydrophobicContact CD1-CB 3.96Å; L103-L177 HydrophobicContact CD1-CD2 4.21Å; L103-L177 HydrophobicContact CD1-CG 4.37Å; L103-L177 HydrophobicContact CD2-CD2 4.08Å; L103-F205 HydrophobicContact CB-CD1 4.26Å; L103-F205 HydrophobicContact CD2-CB 3.88Å; L103-F205 HydrophobicContact CD2-CD1 4.02Å; L103-F205 HydrophobicContact CD2-CG 4.44Å; L103-F205 HydrophobicContact CG-CD1 4.08Å; L103-L206 HydrophobicContact CD2-CD2 4.19Å; L103-L219 HydrophobicContact CD1-CD2 4.26Å
104R97.4Very high97.2Very high15 Ų1528.1 Ų28.16%0.05715%0.153CC..Hα-helixtrans-55.5-46.7-176.1-164.5174.8-78.6-936113.9D22 L99 E100 A106 L107 L108 R149 F205D22-R104 IonicContact OD1-CZ 3.89Å; D22-R104 VanDerWaalsContact OD1-CZ 3.25Å; D22-R104 IonicContact OD1-NH1 3.42Å; D22-R104 PolarHBondContact OD1-NH1 3.37Å; D22-R104 IonicContact OD1-NH2 3.86Å; D22-R104 PolarHBondContact OD1-NH2 3.09Å; D22-R104 IonicContact OD2-NH1 3.89Å; L99-R104 PolarHBondContact O-N 3.43Å; E100-R104 VanDerWaalsContact CD-NE 3.35Å; E100-R104 VanDerWaalsContact O-CB 3.23Å; E100-R104 WeakPolarHBondContact O-CB 3.28Å; E100-R104 IonicContact OE1-CZ 3.76Å; E100-R104 IonicContact OE1-NE 2.73Å; E100-R104 PolarHBondContact OE1-NE 3.29Å; E100-R104 IonicContact OE1-NH2 3.25Å; E100-R104 PolarHBondContact OE1-NH2 3.16Å; E100-R104 WeakPolarHBondContact OE2-CD 3.3Å; E100-R104 IonicContact OE2-CZ 3.55Å; E100-R104 IonicContact OE2-NE 3.46Å; E100-R104 PolarHBondContact OE2-NE 2.98Å; E100-R104 IonicContact OE2-NH2 2.79Å; E100-R104 PolarHBondContact OE2-NH2 3.27Å; R104-A106 VanDerWaalsContact C-N 3.26Å; R104-A106 PolarHBondContact O-N 2.84Å; R104-L107 PolarHBondContact O-N 3.4Å; R104-L108 HydrophobicContact CG-CD1 4.09Å; R104-L108 HydrophobicContact CG-CG 4.2Å; R104-L108 WeakPolarHBondContact O-CG 3.44Å; R104-L108 PolarHBondContact O-N 3.23Å; R104-R149 VanDerWaalsContact CD-NH1 3.34Å; R104-F205 HydrophobicContact CB-CE1 3.74Å; R104-F205 HydrophobicContact CB-CZ 4.4Å; R104-F205 HydrophobicContact CG-CE1 4.22Å; R104-F205 VanDerWaalsContact CZ-CZ 3.5Å
105P96.9Very high97Very high6 Ų628.8 Ų28.84%0.03916%0.158CC..Hα-helixtrans-61-37.1-177.8-25.838.4000112.3E101 L108 H109 I150 R154 I169E101-P105 WeakPolarHBondContact O-CD 3.13Å; E101-P105 WeakPolarHBondContact O-CG 3.48Å; P105-L108 PolarHBondContact O-N 2.63Å; P105-H109 WeakPolarHBondContact O-CB 3.46Å; P105-H109 PolarHBondContact O-N 3.22Å; P105-I150 HydrophobicContact CB-CG1 4.37Å; P105-R154 HydrophobicContact CB-CG 4.11Å; P105-R154 HydrophobicContact CG-CG 4.34Å; P105-I169 HydrophobicContact CB-CG2 4.23Å
106A97Very high96.9Very high0 Ų031.8 Ų31.80%017%0.174CC..Hα-helixtrans-71.7-35.3177.700000112.7L103 R104 H109 T110 Y170 A173 L219L103-A106 PolarHBondContact O-N 3.18Å; R104-A106 VanDerWaalsContact C-N 3.26Å; R104-A106 PolarHBondContact O-N 2.84Å; A106-H109 PolarHBondContact O-N 3.33Å; A106-T110 VanDerWaalsContact O-CB 3.31Å; A106-T110 WeakPolarHBondContact O-CB 3.48Å; A106-T110 PolarHBondContact O-N 3.26Å; A106-T110 PolarHBondContact O-OG1 3.19Å; A106-Y170 HydrophobicContact CB-CD1 4.22Å; A106-Y170 HydrophobicContact CB-CE1 4.37Å; A106-A173 HydrophobicContact CB-CB 3.41Å; A106-A173 VanDerWaalsContact CB-CB 3.41Å; A106-L219 HydrophobicContact CB-CD2 3.84Å
107L97.2Very high96.9Very high7 Ų730.5 Ų30.54%0.03717%0.167CC..Hα-helixtrans-64-47.7171.2-68178000111.2L103 R104 H109 T110 F111 F205 L209 L219L103-L107 HydrophobicContact CD1-CG 4.3Å; L103-L107 HydrophobicContact CG-CD1 4.08Å; L103-L107 HydrophobicContact CG-CG 4.17Å; L103-L107 PolarHBondContact O-N 2.91Å; L103-L107 VanDerWaalsContact O-N 3.09Å; R104-L107 PolarHBondContact O-N 3.4Å; L107-H109 VanDerWaalsContact C-N 3.28Å; L107-H109 PolarHBondContact O-N 3.29Å; L107-T110 PolarHBondContact O-N 2.76Å; L107-F111 HydrophobicContact CD2-CE2 4.26Å; L107-F111 VanDerWaalsContact O-CD2 3.32Å; L107-F111 WeakPolarHBondContact O-CD2 3.37Å; L107-F111 PolarHBondContact O-N 3.44Å; L107-F205 HydrophobicContact CD1-CB 3.98Å; L107-F205 HydrophobicContact CD1-CD1 3.6Å; L107-F205 HydrophobicContact CD1-CE1 4.48Å; L107-F205 HydrophobicContact CD1-CG 4.07Å; L107-F205 WeakPolarHBondContact CD1-O 3.43Å; L107-L209 HydrophobicContact CD2-CB 3.77Å; L107-L209 HydrophobicContact CD2-CD1 4.26Å; L107-L209 HydrophobicContact CD2-CD2 3.92Å; L107-L209 HydrophobicContact CD2-CG 4.2Å; L107-L219 HydrophobicContact CD2-CD2 4.4Å
108L97.1Very high96.8Very high28 Ų2829.8 Ų29.815%0.14715%0.153CC..Hα-helixtrans-56.9-45.1176.5-71.7175.7000111R104 P105 W112 A146 R149 I150R104-L108 HydrophobicContact CG-CD1 4.09Å; R104-L108 HydrophobicContact CG-CG 4.2Å; R104-L108 WeakPolarHBondContact O-CG 3.44Å; R104-L108 PolarHBondContact O-N 3.23Å; P105-L108 PolarHBondContact O-N 2.63Å; L108-W112 VanDerWaalsContact O-CB 3.28Å; L108-W112 WeakPolarHBondContact O-CB 3.38Å; L108-W112 PolarHBondContact O-N 3.09Å; L108-A146 HydrophobicContact CB-CB 4.16Å; L108-A146 HydrophobicContact CD2-CB 3.91Å; L108-A146 HydrophobicContact CG-CB 4.47Å; L108-R149 HydrophobicContact CD1-CB 4.33Å; L108-R149 HydrophobicContact CD1-CG 4.21Å; L108-I150 HydrophobicContact CB-CD1 3.87Å; L108-I150 HydrophobicContact CB-CG1 4.14Å
109H96.8Very high96.8Very high6 Ų630.8 Ų30.83%0.02816%0.163CC..Hα-helixtrans-60.4-52.7176.2-173.8-89.5000111.4P105 A106 L107 F111 V113 D114 I150 E166 I169 Y170P105-H109 WeakPolarHBondContact O-CB 3.46Å; P105-H109 PolarHBondContact O-N 3.22Å; A106-H109 PolarHBondContact O-N 3.33Å; L107-H109 VanDerWaalsContact C-N 3.28Å; L107-H109 PolarHBondContact O-N 3.29Å; H109-F111 VanDerWaalsContact C-N 3.34Å; H109-F111 PolarHBondContact O-N 3.19Å; H109-V113 CarbonylContact O-C 3.59Å; H109-V113 WeakPolarHBondContact O-CA 3.25Å; H109-V113 PolarHBondContact O-N 3.3Å; H109-D114 PolarHBondContact O-N 2.79Å; H109-I150 HydrophobicContact CB-CD1 3.98Å; H109-E166 VanDerWaalsContact CE1-CD 3.49Å; H109-E166 IonicContact CE1-OE1 2.78Å; H109-E166 PolarHBondContact CE1-OE1 3.48Å; H109-E166 VanDerWaalsContact CE1-OE1 3.3Å; H109-I169 HydrophobicContact CB-CD1 3.54Å; H109-Y170 AromaticContact CE1-CE2 3.93Å; H109-Y170 AromaticContact ND1-CE2 3.48Å; H109-Y170 WeakPolarHBondContact ND1-CE2 3.26Å; H109-Y170 AromaticContact ND1-CZ 3.54Å; H109-Y170 PolarHBondContact ND1-OH 3.34Å
110T96.9Very high96.7Very high2 Ų236.1 Ų36.11%0.01219%0.192CC..Hα-helixtrans-58.6-41.2-175.7-57.50000112.8A106 L107 N117 Y170 L214A106-T110 VanDerWaalsContact O-CB 3.31Å; A106-T110 WeakPolarHBondContact O-CB 3.48Å; A106-T110 PolarHBondContact O-N 3.26Å; A106-T110 PolarHBondContact O-OG1 3.19Å; L107-T110 PolarHBondContact O-N 2.76Å; T110-N117 WeakPolarHBondContact O-CB 3.43Å; T110-N117 PolarHBondContact O-ND2 3.37Å; T110-Y170 WeakPolarHBondContact OG1-CE1 3.43Å; T110-Y170 PolarHBondContact OG1-OH 3.32Å; T110-L214 HydrophobicContact CG2-CD1 3.83Å; T110-L214 HydrophobicContact CG2-CD2 4.48Å
111F97.1Very high96.7Very high15 Ų1535 Ų357%0.06619%0.188CC..Hα-helixtrans-88.8-34.7-176.9-75.5-78.1000113.4W14 L107 H109 L121 T122 P208 A212 L214W14-F111 HydrophobicContact CH2-CD1 4.4Å; W14-F111 AromaticContact CH2-CE1 3.94Å; W14-F111 HydrophobicContact CH2-CE1 3.94Å; W14-F111 AromaticContact CZ3-CE1 3.88Å; W14-F111 HydrophobicContact CZ3-CE1 3.88Å; W14-F111 HydrophobicContact CZ3-CZ 4.47Å; L107-F111 HydrophobicContact CD2-CE2 4.26Å; L107-F111 VanDerWaalsContact O-CD2 3.32Å; L107-F111 WeakPolarHBondContact O-CD2 3.37Å; L107-F111 PolarHBondContact O-N 3.44Å; H109-F111 VanDerWaalsContact C-N 3.34Å; H109-F111 PolarHBondContact O-N 3.19Å; F111-L121 HydrophobicContact CE1-CD2 4.46Å; F111-T122 WeakPolarHBondContact O-CB 3.34Å; F111-T122 VanDerWaalsContact O-CG2 3.27Å; F111-T122 WeakPolarHBondContact O-CG2 3.46Å; F111-T122 PolarHBondContact O-OG1 3.27Å; F111-P208 HydrophobicContact CE2-CB 4.37Å; F111-P208 HydrophobicContact CZ-CB 4.1Å; F111-A212 HydrophobicContact CE1-CB 3.69Å; F111-A212 HydrophobicContact CZ-CB 3.89Å; F111-L214 HydrophobicContact CD1-CD2 4.2Å; F111-L214 HydrophobicContact CE1-CD2 3.88Å; F111-L214 HydrophobicContact CZ-CD1 4.41Å; F111-L214 HydrophobicContact CZ-CD2 4.44Å
112W96.8Very high96.7Very high29 Ų2930.4 Ų30.411%0.1117%0.166CC..Hα-helixtrans-114.9-14.9-166.6-65.999.7000115.2L108 Y118 T122 F126 L142 A143 A146L108-W112 VanDerWaalsContact O-CB 3.28Å; L108-W112 WeakPolarHBondContact O-CB 3.38Å; L108-W112 PolarHBondContact O-N 3.09Å; W112-Y118 HydrophobicContact CE3-CD2 4.24Å; W112-Y118 AromaticContact CE3-CE2 3.84Å; W112-Y118 HydrophobicContact CE3-CE2 3.84Å; W112-Y118 HydrophobicContact CZ3-CE2 4.16Å; W112-T122 HydrophobicContact CD2-CG2 3.97Å; W112-T122 HydrophobicContact CE3-CG2 3.88Å; W112-T122 HydrophobicContact CH2-CG2 3.87Å; W112-T122 HydrophobicContact CZ2-CG2 3.98Å; W112-T122 HydrophobicContact CZ3-CG2 3.82Å; W112-F126 HydrophobicContact CH2-CB 4.36Å; W112-F126 AromaticContact CH2-CD1 3.89Å; W112-F126 HydrophobicContact CH2-CD1 3.89Å; W112-F126 AromaticContact CH2-CD2 3.53Å; W112-F126 HydrophobicContact CH2-CD2 3.53Å; W112-F126 HydrophobicContact CH2-CE1 4.02Å; W112-F126 AromaticContact CH2-CE2 3.7Å; W112-F126 HydrophobicContact CH2-CE2 3.7Å; W112-F126 AromaticContact CH2-CG 3.66Å; W112-F126 HydrophobicContact CH2-CG 3.66Å; W112-F126 AromaticContact CH2-CZ 3.95Å; W112-F126 HydrophobicContact CH2-CZ 3.95Å; W112-F126 HydrophobicContact CZ2-CD1 4.32Å; W112-F126 AromaticContact CZ2-CD2 3.95Å; W112-F126 HydrophobicContact CZ2-CD2 3.95Å; W112-F126 AromaticContact CZ2-CE1 3.97Å; W112-F126 HydrophobicContact CZ2-CE1 3.97Å; W112-F126 AromaticContact CZ2-CE2 3.6Å; W112-F126 HydrophobicContact CZ2-CE2 3.6Å; W112-F126 HydrophobicContact CZ2-CG 4.33Å; W112-F126 AromaticContact CZ2-CZ 3.61Å; W112-F126 HydrophobicContact CZ2-CZ 3.61Å; W112-F126 HydrophobicContact CZ3-CD2 4.39Å; W112-L142 HydrophobicContact CD2-CB 4.35Å; W112-L142 HydrophobicContact CE3-CB 3.85Å; W112-L142 HydrophobicContact CH2-CB 3.44Å; W112-L142 VanDerWaalsContact CH2-CB 3.44Å; W112-L142 HydrophobicContact CH2-CD1 3.39Å; W112-L142 HydrophobicContact CH2-CG 4.04Å; W112-L142 HydrophobicContact CZ2-CB 3.94Å; W112-L142 HydrophobicContact CZ2-CD1 3.98Å; W112-L142 HydrophobicContact CZ3-CB 3.38Å; W112-L142 HydrophobicContact CZ3-CD1 4.08Å; W112-L142 HydrophobicContact CZ3-CG 4.38Å; W112-A143 HydrophobicContact CE3-CB 4.05Å; W112-A146 HydrophobicContact CB-CB 3.58Å; W112-A146 HydrophobicContact CG-CB 3.85Å
113V95.3Very high96.7Very high33 Ų3332.2 Ų32.220%0.217%0.171CC..THydrogen-bonded Turntrans-121.5-37.3-173.3-170.90000112.5H109 A115 L147 I150 I162H109-V113 CarbonylContact O-C 3.59Å; H109-V113 WeakPolarHBondContact O-CA 3.25Å; H109-V113 PolarHBondContact O-N 3.3Å; V113-A115 PolarHBondContact O-N 3.32Å; V113-L147 HydrophobicContact CG2-CB 4.28Å; V113-I150 HydrophobicContact CG2-CD1 4.06Å; V113-I162 HydrophobicContact CG1-CG1 3.93Å
114D95.4Very high96.7Very high20 Ų2035 Ų3511%0.10719%0.189CC..SBendtrans-57.7121.3170.7178.6-76.5000109.8H109 E116 N117 Y118 S216H109-D114 PolarHBondContact O-N 2.79Å; D114-E116 PolarHBondContact O-N 3.18Å; D114-E116 PolarHBondContact OD1-N 3.21Å; D114-E116 VanDerWaalsContact OD1-N 3.12Å; D114-N117 HydrophobicContact CB-CB 4.26Å; D114-N117 WeakPolarHBondContact OD1-CB 3.35Å; D114-N117 PolarHBondContact OD1-N 3.16Å; D114-N117 PolarHBondContact OD1-ND2 2.94Å; D114-Y118 WeakPolarHBondContact O-CB 3.49Å; D114-Y118 PolarHBondContact O-N 3.29Å; D114-S216 VanDerWaalsContact OD2-CB 3.31Å; D114-S216 WeakPolarHBondContact OD2-CB 3.26Å; D114-S216 PolarHBondContact OD2-OG 3.49Å
115A94.9Very high96.6Very high75 Ų7535 Ų3562%0.6219%0.189SC*.Hα-helixtrans-65.9-37.4-169.200000112.6V113 S119V113-A115 PolarHBondContact O-N 3.32Å; A115-S119 VanDerWaalsContact O-CB 3.26Å; A115-S119 WeakPolarHBondContact O-CB 3.29Å; A115-S119 PolarHBondContact O-N 3.4Å; A115-S119 VanDerWaalsContact O-N 3.08Å; A115-S119 PolarHBondContact O-OG 3.46Å
116E96Very high96.5Very high110 Ų11035 Ų3551%0.51419%0.189SC..Hα-helixtrans-71.7-48.1-179-65.7-169.4169.600110.7D114 S119 N120 A215D114-E116 PolarHBondContact O-N 3.18Å; D114-E116 PolarHBondContact OD1-N 3.21Å; D114-E116 VanDerWaalsContact OD1-N 3.12Å; E116-S119 PolarHBondContact O-OG 3.33Å; E116-N120 VanDerWaalsContact O-CB 3.23Å; E116-N120 WeakPolarHBondContact O-CB 3.41Å; E116-N120 PolarHBondContact O-N 2.97Å; E116-N120 PolarHBondContact O-ND2 3.09Å; E116-A215 HydrophobicContact CB-CB 4.24Å
117N96.9Very high96.4Very high0 Ų035.8 Ų35.80%020%0.195CC..Hα-helixtrans-66.5-41178.7-68.3-25.3000112T110 D114 L121 T122 L214 A215 S216T110-N117 WeakPolarHBondContact O-CB 3.43Å; T110-N117 PolarHBondContact O-ND2 3.37Å; D114-N117 HydrophobicContact CB-CB 4.26Å; D114-N117 WeakPolarHBondContact OD1-CB 3.35Å; D114-N117 PolarHBondContact OD1-N 3.16Å; D114-N117 PolarHBondContact OD1-ND2 2.94Å; N117-L121 WeakPolarHBondContact O-CB 3.33Å; N117-L121 PolarHBondContact O-N 2.93Å; N117-T122 PolarHBondContact O-N 3.07Å; N117-L214 HydrophobicContact CB-CD2 4.05Å; N117-A215 PolarHBondContact OD1-N 2.92Å; N117-S216 PolarHBondContact ND2-O 2.86Å; N117-S216 PolarHBondContact OD1-N 3.05Å; N117-S216 PolarHBondContact OD1-O 2.99Å
118Y97.3Very high96.3Very high39 Ų3939.7 Ų39.715%0.15322%0.223CC..Iπ-helixtrans-64.2-46179.3-179.5-109.4000111.6W112 D114 T122 R123 P139 A143W112-Y118 HydrophobicContact CE3-CD2 4.24Å; W112-Y118 AromaticContact CE3-CE2 3.84Å; W112-Y118 HydrophobicContact CE3-CE2 3.84Å; W112-Y118 HydrophobicContact CZ3-CE2 4.16Å; D114-Y118 WeakPolarHBondContact O-CB 3.49Å; D114-Y118 PolarHBondContact O-N 3.29Å; Y118-T122 HydrophobicContact CD2-CG2 4.42Å; Y118-R123 HydrophobicContact CD1-CB 4.26Å; Y118-R123 HydrophobicContact CD2-CB 4.15Å; Y118-R123 HydrophobicContact CE1-CB 3.94Å; Y118-R123 HydrophobicContact CE1-CG 4.25Å; Y118-R123 HydrophobicContact CE2-CB 3.82Å; Y118-R123 HydrophobicContact CG-CB 4.38Å; Y118-R123 WeakPolarHBondContact O-CB 3.15Å; Y118-R123 PolarHBondContact O-N 3.03Å; Y118-P139 PolarHBondContact OH-O 3.27Å; Y118-A143 HydrophobicContact CE2-CB 3.86Å
119S96.8Very high96.1Very high61 Ų6141.9 Ų41.943%0.42723%0.229SC..Iπ-helixtrans-73.2-39-17759.20000113.1A115 E116 P124A115-S119 VanDerWaalsContact O-CB 3.26Å; A115-S119 WeakPolarHBondContact O-CB 3.29Å; A115-S119 PolarHBondContact O-N 3.4Å; A115-S119 VanDerWaalsContact O-N 3.08Å; A115-S119 PolarHBondContact O-OG 3.46Å; E116-S119 PolarHBondContact O-OG 3.33Å; S119-P124 WeakPolarHBondContact O-CD 3.34Å; S119-P124 WeakPolarHBondContact O-CG 3.22Å
120N96.4Very high95.9Very high112 Ų11242.1 Ų42.160%0.59923%0.232SC*.Iπ-helixtrans-89.2-32.3-173.4-64.4-41.6000113.9E116E116-N120 VanDerWaalsContact O-CB 3.23Å; E116-N120 WeakPolarHBondContact O-CB 3.41Å; E116-N120 PolarHBondContact O-N 2.97Å; E116-N120 PolarHBondContact O-ND2 3.09Å
121L96.5Very high95.7Very high26 Ų2645 Ų4514%0.13625%0.251CS..Iπ-helixtrans-118.6-62.1-174-175.173.8000112.3W14 F111 N117 W125 A212 L214W14-L121 HydrophobicContact CH2-CD2 4.02Å; W14-L121 HydrophobicContact CH2-CG 4.42Å; W14-L121 HydrophobicContact CZ2-CD1 3.94Å; W14-L121 HydrophobicContact CZ2-CD2 3.75Å; W14-L121 HydrophobicContact CZ2-CG 3.77Å; F111-L121 HydrophobicContact CE1-CD2 4.46Å; N117-L121 WeakPolarHBondContact O-CB 3.33Å; N117-L121 PolarHBondContact O-N 2.93Å; L121-W125 WeakPolarHBondContact O-CB 3.18Å; L121-W125 PolarHBondContact O-N 3.39Å; L121-A212 HydrophobicContact CD2-CB 3.81Å; L121-L214 HydrophobicContact CD2-CD2 3.66Å; L121-L214 HydrophobicContact CD2-CG 4.43Å
122T96.8Very high95.5Very high0 Ų052.1 Ų52.10%028%0.281CS..Iπ-helixtrans-69-58.2-165.6-520000111.7F111 W112 N117 Y118 W125 F126F111-T122 WeakPolarHBondContact O-CB 3.34Å; F111-T122 VanDerWaalsContact O-CG2 3.27Å; F111-T122 WeakPolarHBondContact O-CG2 3.46Å; F111-T122 PolarHBondContact O-OG1 3.27Å; W112-T122 HydrophobicContact CD2-CG2 3.97Å; W112-T122 HydrophobicContact CE3-CG2 3.88Å; W112-T122 HydrophobicContact CH2-CG2 3.87Å; W112-T122 HydrophobicContact CZ2-CG2 3.98Å; W112-T122 HydrophobicContact CZ3-CG2 3.82Å; N117-T122 PolarHBondContact O-N 3.07Å; Y118-T122 HydrophobicContact CD2-CG2 4.42Å; T122-W125 PolarHBondContact O-N 2.84Å; T122-F126 HydrophobicContact CG2-CD2 3.64Å; T122-F126 HydrophobicContact CG2-CE2 3.71Å; T122-F126 VanDerWaalsContact O-CD2 3.26Å; T122-F126 WeakPolarHBondContact O-CD2 3.19Å; T122-F126 PolarHBondContact O-N 3.28Å
123R97.3Very high95.3Very high92 Ų9252.8 Ų52.835%0.34729%0.29SS..Hα-helixtrans-57.9-48.6-176.1-179.4-177.4170.2-77.8-3112.6Y118 W125 F126 A127 P139Y118-R123 HydrophobicContact CD1-CB 4.26Å; Y118-R123 HydrophobicContact CD2-CB 4.15Å; Y118-R123 HydrophobicContact CE1-CB 3.94Å; Y118-R123 HydrophobicContact CE1-CG 4.25Å; Y118-R123 HydrophobicContact CE2-CB 3.82Å; Y118-R123 HydrophobicContact CG-CB 4.38Å; Y118-R123 WeakPolarHBondContact O-CB 3.15Å; Y118-R123 PolarHBondContact O-N 3.03Å; R123-W125 VanDerWaalsContact C-N 3.31Å; R123-W125 PolarHBondContact O-N 3.06Å; R123-F126 PolarHBondContact O-N 3.23Å; R123-A127 WeakPolarHBondContact O-CB 3.27Å; R123-A127 PolarHBondContact O-N 3.26Å; R123-P139 HydrophobicContact CB-CB 4.49Å; R123-P139 HydrophobicContact CG-CB 3.94Å; R123-P139 HydrophobicContact CG-CG 4.48Å
124P97.1Very high95.2Very high58 Ų5851.5 Ų51.538%0.37728%0.282SS..Hα-helixtrans-59.2-40.8178.3-24.334.9000112.9S119 A127 S128S119-P124 WeakPolarHBondContact O-CD 3.34Å; S119-P124 WeakPolarHBondContact O-CG 3.22Å; P124-A127 PolarHBondContact O-N 3Å; P124-S128 WeakPolarHBondContact O-CB 3.41Å; P124-S128 PolarHBondContact O-N 3.24Å; P124-S128 PolarHBondContact O-OG 2.95Å
125W96.4Very high95.1Very high16 Ų1652.2 Ų52.26%0.06129%0.286CS..Hα-helixtrans-65.6-44.6-178.7-173.299.2000113.3W10 G11 D13 W14 V19 L121 T122 R123 S128 R129W10-W125 HydrophobicContact CB-CH2 4.39Å; W10-W125 HydrophobicContact CD2-CZ3 4.44Å; W10-W125 HydrophobicContact CE3-CH2 4.46Å; W10-W125 AromaticContact CE3-CZ3 3.91Å; W10-W125 HydrophobicContact CE3-CZ3 3.91Å; G11-W125 WeakPolarHBondContact O-CH2 3.46Å; G11-W125 WeakPolarHBondContact O-CZ2 3.32Å; D13-W125 HydrophobicContact CB-CZ2 3.88Å; D13-W125 VanDerWaalsContact CG-NE1 3.26Å; D13-W125 VanDerWaalsContact OD2-CD1 3.29Å; D13-W125 PolarHBondContact OD2-NE1 3.42Å; W14-W125 HydrophobicContact CZ2-CG 4.32Å; W14-W125 AromaticContact NE1-CD1 3.9Å; V19-W125 HydrophobicContact CB-CH2 4.12Å; V19-W125 HydrophobicContact CB-CZ2 3.9Å; V19-W125 HydrophobicContact CG1-CD2 4.46Å; V19-W125 HydrophobicContact CG1-CH2 4.01Å; V19-W125 HydrophobicContact CG1-CZ2 3.29Å; V19-W125 HydrophobicContact CG2-CD2 3.97Å; V19-W125 HydrophobicContact CG2-CE3 3.69Å; V19-W125 HydrophobicContact CG2-CH2 3.1Å; V19-W125 HydrophobicContact CG2-CZ2 3.32Å; V19-W125 HydrophobicContact CG2-CZ3 3.26Å; L121-W125 WeakPolarHBondContact O-CB 3.18Å; L121-W125 PolarHBondContact O-N 3.39Å; T122-W125 PolarHBondContact O-N 2.84Å; R123-W125 VanDerWaalsContact C-N 3.31Å; R123-W125 PolarHBondContact O-N 3.06Å; W125-S128 PolarHBondContact O-OG 3.12Å; W125-R129 VanDerWaalsContact CG-NH1 3.28Å; W125-R129 VanDerWaalsContact CH2-NE 3.33Å; W125-R129 VanDerWaalsContact CZ3-CD 3.49Å; W125-R129 PolarHBondContact O-NH1 2.78Å; W125-R129 VanDerWaalsContact O-NH1 3.12Å
126F94.6Very high94.9Very high7 Ų753.7 Ų53.73%0.03128%0.278CS..Hα-helixtrans-75.3-33.9179.1-78.2-89000111.3W10 V19 W112 T122 R123 R129 S130 P139 L142W10-F126 AromaticContact CD2-CD1 3.84Å; W10-F126 HydrophobicContact CD2-CD1 3.84Å; W10-F126 AromaticContact CD2-CE1 3.62Å; W10-F126 HydrophobicContact CD2-CE1 3.62Å; W10-F126 AromaticContact CE2-CD1 3.71Å; W10-F126 AromaticContact CE2-CE1 3.57Å; W10-F126 AromaticContact CE3-CD1 3.82Å; W10-F126 HydrophobicContact CE3-CD1 3.82Å; W10-F126 HydrophobicContact CE3-CE1 4.01Å; W10-F126 HydrophobicContact CG-CE1 4.01Å; W10-F126 AromaticContact CH2-CD1 3.62Å; W10-F126 HydrophobicContact CH2-CD1 3.62Å; W10-F126 HydrophobicContact CH2-CE1 4.34Å; W10-F126 AromaticContact CZ2-CD1 3.61Å; W10-F126 HydrophobicContact CZ2-CD1 3.61Å; W10-F126 AromaticContact CZ2-CE1 3.96Å; W10-F126 HydrophobicContact CZ2-CE1 3.96Å; W10-F126 AromaticContact CZ3-CD1 3.71Å; W10-F126 HydrophobicContact CZ3-CD1 3.71Å; W10-F126 HydrophobicContact CZ3-CE1 4.35Å; W10-F126 AromaticContact NE1-CE1 3.88Å; V19-F126 HydrophobicContact CG2-CE2 4.23Å; V19-F126 HydrophobicContact CG2-CZ 3.84Å; W112-F126 HydrophobicContact CH2-CB 4.36Å; W112-F126 AromaticContact CH2-CD1 3.89Å; W112-F126 HydrophobicContact CH2-CD1 3.89Å; W112-F126 AromaticContact CH2-CD2 3.53Å; W112-F126 HydrophobicContact CH2-CD2 3.53Å; W112-F126 HydrophobicContact CH2-CE1 4.02Å; W112-F126 AromaticContact CH2-CE2 3.7Å; W112-F126 HydrophobicContact CH2-CE2 3.7Å; W112-F126 AromaticContact CH2-CG 3.66Å; W112-F126 HydrophobicContact CH2-CG 3.66Å; W112-F126 AromaticContact CH2-CZ 3.95Å; W112-F126 HydrophobicContact CH2-CZ 3.95Å; W112-F126 HydrophobicContact CZ2-CD1 4.32Å; W112-F126 AromaticContact CZ2-CD2 3.95Å; W112-F126 HydrophobicContact CZ2-CD2 3.95Å; W112-F126 AromaticContact CZ2-CE1 3.97Å; W112-F126 HydrophobicContact CZ2-CE1 3.97Å; W112-F126 AromaticContact CZ2-CE2 3.6Å; W112-F126 HydrophobicContact CZ2-CE2 3.6Å; W112-F126 HydrophobicContact CZ2-CG 4.33Å; W112-F126 AromaticContact CZ2-CZ 3.61Å; W112-F126 HydrophobicContact CZ2-CZ 3.61Å; W112-F126 HydrophobicContact CZ3-CD2 4.39Å; T122-F126 HydrophobicContact CG2-CD2 3.64Å; T122-F126 HydrophobicContact CG2-CE2 3.71Å; T122-F126 VanDerWaalsContact O-CD2 3.26Å; T122-F126 WeakPolarHBondContact O-CD2 3.19Å; T122-F126 PolarHBondContact O-N 3.28Å; R123-F126 PolarHBondContact O-N 3.23Å; F126-R129 PolarHBondContact O-N 3.27Å; F126-S130 PolarHBondContact O-OG 3.32Å; F126-P139 HydrophobicContact CB-CG 4.15Å; F126-L142 HydrophobicContact CD1-CD1 4.06Å; F126-L142 HydrophobicContact CE1-CD1 4.41Å
127A95.7Very high94.8Very high15 Ų1553.7 Ų53.712%0.12428%0.277CS..Hα-helixtrans-65.5-38.317500000112.4R123 P124 R129 S130 N135 P139R123-A127 WeakPolarHBondContact O-CB 3.27Å; R123-A127 PolarHBondContact O-N 3.26Å; P124-A127 PolarHBondContact O-N 3Å; A127-R129 PolarHBondContact O-N 3.4Å; A127-S130 PolarHBondContact O-N 3.44Å; A127-S130 PolarHBondContact O-OG 3.01Å; A127-N135 HydrophobicContact CB-CB 4.2Å; A127-N135 WeakPolarHBondContact O-CB 3.16Å; A127-P139 HydrophobicContact CB-CG 4.07Å
128S94.6Very high94.6Very high89 Ų8953.8 Ų53.862%0.62228%0.277SS*.Hα-helixtrans-68.5-18.4179.470.10000113.7P124 W125P124-S128 WeakPolarHBondContact O-CB 3.41Å; P124-S128 PolarHBondContact O-N 3.24Å; P124-S128 PolarHBondContact O-OG 2.95Å; W125-S128 PolarHBondContact O-OG 3.12Å
129R92.3Very high94.5Very high75 Ų7552 Ų5228%0.28327%0.27SS..THydrogen-bonded Turntrans-101.313-179.9-71.1174.1175.281.6-8.3113.7W10 G12 D13 W125 F126 A127W10-R129 HydrophobicContact CE3-CB 4.44Å; W10-R129 HydrophobicContact CZ3-CB 4Å; G12-R129 PolarHBondContact O-NH2 3.38Å; D13-R129 IonicContact OD2-CZ 3.76Å; D13-R129 IonicContact OD2-NH1 3.16Å; D13-R129 IonicContact OD2-NH2 3.57Å; D13-R129 PolarHBondContact OD2-NH2 3.47Å; W125-R129 VanDerWaalsContact CG-NH1 3.28Å; W125-R129 VanDerWaalsContact CH2-NE 3.33Å; W125-R129 VanDerWaalsContact CZ3-CD 3.49Å; W125-R129 PolarHBondContact O-NH1 2.78Å; W125-R129 VanDerWaalsContact O-NH1 3.12Å; F126-R129 PolarHBondContact O-N 3.27Å; A127-R129 PolarHBondContact O-N 3.4Å
130S91.6Very high94.4Very high11 Ų1151.4 Ų51.48%0.07727%0.266CS..SBendtrans-128.5142.8174.838.20000110F126 A127 N135F126-S130 PolarHBondContact O-OG 3.32Å; A127-S130 PolarHBondContact O-N 3.44Å; A127-S130 PolarHBondContact O-OG 3.01Å; S130-N135 VanDerWaalsContact OG-CA 3.23Å; S130-N135 WeakPolarHBondContact OG-CA 3.14Å
131P92.9Very high94.3Very high63 Ų6350.9 Ų50.941%0.40926%0.256SS..  trans-72.2153.1-178.228.7-32.6000110.9W44 P133 L134 N135W44-P131 HydrophobicContact CB-CG 4.48Å; W44-P131 WeakPolarHBondContact O-CG 3.12Å; P131-P133 CarbonylContact O-C 3.56Å; P131-L134 HydrophobicContact CG-CD1 4.3Å; P131-L134 WeakPolarHBondContact O-CA 3.37Å; P131-L134 WeakPolarHBondContact O-CB 3.4Å; P131-L134 PolarHBondContact O-N 2.9Å; P131-N135 PolarHBondContact O-N 2.86Å; P131-N135 VanDerWaalsContact O-N 3.09Å
132F92.8Very high94.2Very high163 Ų16351.6 Ų51.672%0.71526%0.26SS*.THydrogen-bonded Turntrans-62.9134.7166.2175.6-88.7000109.6F136F132-F136 HydrophobicContact CD2-CD2 4.42Å; F132-F136 AromaticContact CD2-CE2 3.66Å; F132-F136 HydrophobicContact CD2-CE2 3.66Å; F132-F136 HydrophobicContact CE2-CD2 4.45Å; F132-F136 AromaticContact CE2-CE2 3.65Å; F132-F136 HydrophobicContact CE2-CE2 3.65Å
133P93.3Very high94.2Very high44 Ų4452.2 Ų52.229%0.28626%0.264SS..THydrogen-bonded Turncis-95.63.83.537.8-36.5000114.4W46 P131 N135 F136 F137W46-P133 HydrophobicContact CZ2-CG 3.95Å; P131-P133 CarbonylContact O-C 3.56Å; P133-N135 PolarHBondContact O-N 2.68Å; P133-N135 PolarHBondContact O-OD1 3.46Å; P133-F136 WeakPolarHBondContact O-CD2 3.36Å; P133-F136 PolarHBondContact O-N 2.82Å; P133-F137 HydrophobicContact CB-CE2 4.45Å; P133-F137 VanDerWaalsContact O-CD2 3.27Å; P133-F137 WeakPolarHBondContact O-CD2 3.37Å
134L93Very high94Very high5 Ų552.6 Ų52.63%0.02627%0.273CS..Hα-helixtrans-63.2-23.8-176.3-64.2-179.9000113.5W44 T45 W46 P131 F136 F137 I138W44-L134 HydrophobicContact CB-CD1 4.44Å; W44-L134 WeakPolarHBondContact O-CD1 3.11Å; T45-L134 VanDerWaalsContact C-CD1 3.5Å; W46-L134 HydrophobicContact CD2-CD2 3.72Å; W46-L134 HydrophobicContact CE3-CD2 3.6Å; W46-L134 HydrophobicContact CH2-CD2 3.65Å; W46-L134 HydrophobicContact CZ2-CD2 3.77Å; W46-L134 HydrophobicContact CZ3-CD2 3.56Å; P131-L134 HydrophobicContact CG-CD1 4.3Å; P131-L134 WeakPolarHBondContact O-CA 3.37Å; P131-L134 WeakPolarHBondContact O-CB 3.4Å; P131-L134 PolarHBondContact O-N 2.9Å; L134-F136 PolarHBondContact O-N 3.03Å; L134-F136 VanDerWaalsContact O-N 3.16Å; L134-F137 PolarHBondContact O-N 3.11Å; L134-I138 HydrophobicContact CB-CD1 3.75Å; L134-I138 HydrophobicContact CB-CG1 4.31Å; L134-I138 PolarHBondContact O-N 3.45Å
135N93.9Very high93.9Very high36 Ų3653.8 Ų53.819%0.19328%0.28CS..Hα-helixtrans-56.7-23.9173.166-21.9000115A127 S130 P131 P133 P139A127-N135 HydrophobicContact CB-CB 4.2Å; A127-N135 WeakPolarHBondContact O-CB 3.16Å; S130-N135 VanDerWaalsContact OG-CA 3.23Å; S130-N135 WeakPolarHBondContact OG-CA 3.14Å; P131-N135 PolarHBondContact O-N 2.86Å; P131-N135 VanDerWaalsContact O-N 3.09Å; P133-N135 PolarHBondContact O-N 2.68Å; P133-N135 PolarHBondContact O-OD1 3.46Å; N135-P139 WeakPolarHBondContact O-CD 3.49Å; N135-P139 WeakPolarHBondContact O-CG 3.47Å
136F91.5Very high93.9Very high106 Ų10653.2 Ų53.247%0.46528%0.278SS..Hα-helixtrans-81.4-29.5172.3-62.4-75.5000112.9F132 P133 L134 S140F132-F136 HydrophobicContact CD2-CD2 4.42Å; F132-F136 AromaticContact CD2-CE2 3.66Å; F132-F136 HydrophobicContact CD2-CE2 3.66Å; F132-F136 HydrophobicContact CE2-CD2 4.45Å; F132-F136 AromaticContact CE2-CE2 3.65Å; F132-F136 HydrophobicContact CE2-CE2 3.65Å; P133-F136 WeakPolarHBondContact O-CD2 3.36Å; P133-F136 PolarHBondContact O-N 2.82Å; L134-F136 PolarHBondContact O-N 3.03Å; L134-F136 VanDerWaalsContact O-N 3.16Å; F136-S140 PolarHBondContact O-OG 2.74Å
137F92.9Very high93.8Very high109 Ų10955.7 Ų55.748%0.47829%0.291SS..Hα-helixtrans-94-42.2-172.1-62.7-79.7000112.8W46 P133 L134 S140 R141W46-F137 HydrophobicContact CH2-CD2 4.26Å; W46-F137 HydrophobicContact CH2-CE2 4.16Å; P133-F137 HydrophobicContact CB-CE2 4.45Å; P133-F137 VanDerWaalsContact O-CD2 3.27Å; P133-F137 WeakPolarHBondContact O-CD2 3.37Å; L134-F137 PolarHBondContact O-N 3.11Å; F137-S140 PolarHBondContact O-N 2.96Å; F137-R141 WeakPolarHBondContact O-CB 3.4Å; F137-R141 PolarHBondContact O-N 3.35Å
138I93Very high93.7Very high3 Ų358.9 Ų58.92%0.01531%0.309CS..Hα-helixtrans-61.5-52.6-173-71.5165.3000111.7W10 W44 L49 L134 S140 R141 L142W10-I138 HydrophobicContact CH2-CG2 3.94Å; W10-I138 HydrophobicContact CZ2-CG2 4.13Å; W44-I138 HydrophobicContact CB-CD1 3.78Å; W44-I138 HydrophobicContact CD2-CD1 3.66Å; W44-I138 HydrophobicContact CE3-CD1 3.7Å; W44-I138 HydrophobicContact CE3-CG1 4.4Å; W44-I138 HydrophobicContact CG-CD1 3.69Å; L49-I138 HydrophobicContact CD1-CD1 4.37Å; L49-I138 HydrophobicContact CD1-CG1 3.55Å; L134-I138 HydrophobicContact CB-CD1 3.75Å; L134-I138 HydrophobicContact CB-CG1 4.31Å; L134-I138 PolarHBondContact O-N 3.45Å; I138-S140 VanDerWaalsContact C-N 3.3Å; I138-S140 PolarHBondContact O-N 3Å; I138-R141 PolarHBondContact O-N 3.17Å; I138-L142 HydrophobicContact CG2-CD1 3.84Å; I138-L142 HydrophobicContact CG2-CG 4.36Å; I138-L142 WeakPolarHBondContact O-CG 3.37Å; I138-L142 PolarHBondContact O-N 3.07Å
139P94.6Very high93.6Very high1 Ų159.5 Ų59.51%0.00630%0.298CS..Hα-helixtrans-62.1-36.5179.7-23.535000113.2Y118 R123 F126 A127 N135 A143Y118-P139 PolarHBondContact OH-O 3.27Å; R123-P139 HydrophobicContact CB-CB 4.49Å; R123-P139 HydrophobicContact CG-CB 3.94Å; R123-P139 HydrophobicContact CG-CG 4.48Å; F126-P139 HydrophobicContact CB-CG 4.15Å; A127-P139 HydrophobicContact CB-CG 4.07Å; N135-P139 WeakPolarHBondContact O-CD 3.49Å; N135-P139 WeakPolarHBondContact O-CG 3.47Å; P139-A143 WeakPolarHBondContact O-CB 3.4Å; P139-A143 PolarHBondContact O-N 3.49Å
140S94.6Very high93.7Very high49 Ų4956 Ų5634%0.34329%0.285SS..Hα-helixtrans-69.4-39.4177.3-64.20000111.9F136 F137 I138 A143 N144F136-S140 PolarHBondContact O-OG 2.74Å; F137-S140 PolarHBondContact O-N 2.96Å; I138-S140 VanDerWaalsContact C-N 3.3Å; I138-S140 PolarHBondContact O-N 3Å; S140-A143 PolarHBondContact O-N 3.5Å; S140-N144 WeakPolarHBondContact O-CB 3.39Å; S140-N144 VanDerWaalsContact O-CG 3.27Å; S140-N144 PolarHBondContact O-N 3.12Å; S140-N144 PolarHBondContact O-ND2 2.88Å
141R94.2Very high93.6Very high100 Ų10058.1 Ų58.138%0.37730%0.295SS..Hα-helixtrans-61.3-48.8173.3177.3-173.9169.2131.95.9111.2L49 F137 I138 A143 N144 V145L49-R141 PolarHBondContact O-NE 3.26Å; L49-R141 PolarHBondContact O-NH1 2.95Å; F137-R141 WeakPolarHBondContact O-CB 3.4Å; F137-R141 PolarHBondContact O-N 3.35Å; I138-R141 PolarHBondContact O-N 3.17Å; R141-A143 VanDerWaalsContact C-N 3.3Å; R141-A143 PolarHBondContact O-N 3.21Å; R141-N144 PolarHBondContact O-N 2.79Å; R141-V145 WeakPolarHBondContact O-CG2 3.16Å; R141-V145 PolarHBondContact O-N 3.13Å
142L94.8Very high93.4Very high42 Ų4260.6 Ų60.622%0.2231%0.309CS..Hα-helixtrans-61.6-40.2179.4-68.7172.8000111.3W10 W112 F126 I138 V145 A146W10-L142 HydrophobicContact CZ2-CD1 3.84Å; W112-L142 HydrophobicContact CD2-CB 4.35Å; W112-L142 HydrophobicContact CE3-CB 3.85Å; W112-L142 HydrophobicContact CH2-CB 3.44Å; W112-L142 VanDerWaalsContact CH2-CB 3.44Å; W112-L142 HydrophobicContact CH2-CD1 3.39Å; W112-L142 HydrophobicContact CH2-CG 4.04Å; W112-L142 HydrophobicContact CZ2-CB 3.94Å; W112-L142 HydrophobicContact CZ2-CD1 3.98Å; W112-L142 HydrophobicContact CZ3-CB 3.38Å; W112-L142 HydrophobicContact CZ3-CD1 4.08Å; W112-L142 HydrophobicContact CZ3-CG 4.38Å; F126-L142 HydrophobicContact CD1-CD1 4.06Å; F126-L142 HydrophobicContact CE1-CD1 4.41Å; I138-L142 HydrophobicContact CG2-CD1 3.84Å; I138-L142 HydrophobicContact CG2-CG 4.36Å; I138-L142 WeakPolarHBondContact O-CG 3.37Å; I138-L142 PolarHBondContact O-N 3.07Å; L142-V145 PolarHBondContact O-N 3.1Å; L142-A146 WeakPolarHBondContact O-CB 3.44Å; L142-A146 PolarHBondContact O-N 2.78Å
143A96.3Very high93.2Very high12 Ų1255.8 Ų55.810%0.09929%0.293CS..Hα-helixtrans-61.5-44.9173.500000112.7W112 Y118 P139 S140 R141 V145 A146 L147W112-A143 HydrophobicContact CE3-CB 4.05Å; Y118-A143 HydrophobicContact CE2-CB 3.86Å; P139-A143 WeakPolarHBondContact O-CB 3.4Å; P139-A143 PolarHBondContact O-N 3.49Å; S140-A143 PolarHBondContact O-N 3.5Å; R141-A143 VanDerWaalsContact C-N 3.3Å; R141-A143 PolarHBondContact O-N 3.21Å; A143-V145 PolarHBondContact O-N 2.93Å; A143-A146 WeakPolarHBondContact O-CB 3.33Å; A143-A146 PolarHBondContact O-N 3.47Å; A143-L147 WeakPolarHBondContact O-CB 3.35Å; A143-L147 PolarHBondContact O-N 3.06Å
144N94.8Very high92.9Very high100 Ų10054.8 Ų54.854%0.53528%0.283SS..Hα-helixtrans-62.6-43.3176.2-73.1-27.9000111.9S140 R141 A146 L147 T148S140-N144 WeakPolarHBondContact O-CB 3.39Å; S140-N144 VanDerWaalsContact O-CG 3.27Å; S140-N144 PolarHBondContact O-N 3.12Å; S140-N144 PolarHBondContact O-ND2 2.88Å; R141-N144 PolarHBondContact O-N 2.79Å; N144-A146 VanDerWaalsContact C-N 3.33Å; N144-A146 PolarHBondContact O-N 3.47Å; N144-L147 PolarHBondContact O-N 3.37Å; N144-T148 WeakPolarHBondContact O-CB 3.25Å; N144-T148 PolarHBondContact O-N 3.41Å; N144-T148 PolarHBondContact O-OG1 3.39Å
145V94.3Very high92.1Very high84 Ų8455.4 Ų55.451%0.50929%0.291SS..Hα-helixtrans-61.3-43176.1170.90000111.1R141 L142 A143 R149R141-V145 WeakPolarHBondContact O-CG2 3.16Å; R141-V145 PolarHBondContact O-N 3.13Å; L142-V145 PolarHBondContact O-N 3.1Å; A143-V145 PolarHBondContact O-N 2.93Å; V145-R149 WeakPolarHBondContact O-CB 3.46Å; V145-R149 PolarHBondContact O-N 3.38Å
146A95.3Very high90.8Very high3 Ų360.4 Ų60.43%0.02531%0.313CS..Hα-helixtrans-61.1-49.8176.600000111.7L108 W112 L142 A143 N144 R149 I150L108-A146 HydrophobicContact CB-CB 4.16Å; L108-A146 HydrophobicContact CD2-CB 3.91Å; L108-A146 HydrophobicContact CG-CB 4.47Å; W112-A146 HydrophobicContact CB-CB 3.58Å; W112-A146 HydrophobicContact CG-CB 3.85Å; L142-A146 WeakPolarHBondContact O-CB 3.44Å; L142-A146 PolarHBondContact O-N 2.78Å; A143-A146 WeakPolarHBondContact O-CB 3.33Å; A143-A146 PolarHBondContact O-N 3.47Å; N144-A146 VanDerWaalsContact C-N 3.33Å; N144-A146 PolarHBondContact O-N 3.47Å; A146-R149 PolarHBondContact O-N 3.29Å; A146-I150 WeakPolarHBondContact O-CG1 3.34Å; A146-I150 PolarHBondContact O-N 3.1Å
147L94.3Very high89.3Confident60 Ų6057.4 Ų57.431%0.31431%0.312SS..Hα-helixtrans-60.7-49.8178-177.8159.5000111.4V113 A143 N144 R149 I150 L151V113-L147 HydrophobicContact CG2-CB 4.28Å; A143-L147 WeakPolarHBondContact O-CB 3.35Å; A143-L147 PolarHBondContact O-N 3.06Å; N144-L147 PolarHBondContact O-N 3.37Å; L147-R149 VanDerWaalsContact C-N 3.29Å; L147-R149 PolarHBondContact O-N 2.81Å; L147-I150 PolarHBondContact O-N 3.47Å; L147-L151 HydrophobicContact CD2-CD1 3.45Å; L147-L151 VanDerWaalsContact CD2-CD1 3.45Å; L147-L151 HydrophobicContact CD2-CG 4.01Å; L147-L151 HydrophobicContact CG-CD1 4.48Å; L147-L151 WeakPolarHBondContact O-CG 3.4Å; L147-L151 PolarHBondContact O-N 2.99Å
148T92.9Very high87.5Confident81 Ų8161 Ų6150%0.49734%0.335SS..Hα-helixtrans-58.6-42.9178.1-62.30000111N144 I150 L151 V152N144-T148 WeakPolarHBondContact O-CB 3.25Å; N144-T148 PolarHBondContact O-N 3.41Å; N144-T148 PolarHBondContact O-OG1 3.39Å; T148-I150 PolarHBondContact O-N 3.1Å; T148-L151 PolarHBondContact O-N 3.18Å; T148-V152 HydrophobicContact CG2-CG2 4.19Å; T148-V152 WeakPolarHBondContact O-CB 3.36Å; T148-V152 VanDerWaalsContact O-CG2 3.27Å; T148-V152 WeakPolarHBondContact O-CG2 3.26Å; T148-V152 PolarHBondContact O-N 3.22Å
149R92.9Very high85.8Confident103 Ų10368.6 Ų68.639%0.38938%0.375SS..Hα-helixtrans-60.8-45.7177.4-175.8168.3179.2179.70.3111.4E100 R104 L108 V145 A146 L147 V152 T153E100-R149 IonicContact OE2-NH2 3.46Å; E100-R149 PolarHBondContact OE2-NH2 3.36Å; R104-R149 VanDerWaalsContact CD-NH1 3.34Å; L108-R149 HydrophobicContact CD1-CB 4.33Å; L108-R149 HydrophobicContact CD1-CG 4.21Å; V145-R149 WeakPolarHBondContact O-CB 3.46Å; V145-R149 PolarHBondContact O-N 3.38Å; A146-R149 PolarHBondContact O-N 3.29Å; L147-R149 VanDerWaalsContact C-N 3.29Å; L147-R149 PolarHBondContact O-N 2.81Å; R149-V152 PolarHBondContact O-N 3.44Å; R149-T153 HydrophobicContact CG-CG2 4.5Å; R149-T153 WeakPolarHBondContact O-CG2 3.45Å; R149-T153 PolarHBondContact O-N 3.44Å; R149-T153 PolarHBondContact O-OG1 2.87Å
150I93.3Very high84.5Confident0 Ų072 Ų720%039%0.391CS..Hα-helixtrans-60.2-49.6177.3-64.5160.3000110.3P105 L108 H109 V113 A146 L147 T148 V152 T153 R154 I162 V165P105-I150 HydrophobicContact CB-CG1 4.37Å; L108-I150 HydrophobicContact CB-CD1 3.87Å; L108-I150 HydrophobicContact CB-CG1 4.14Å; H109-I150 HydrophobicContact CB-CD1 3.98Å; V113-I150 HydrophobicContact CG2-CD1 4.06Å; A146-I150 WeakPolarHBondContact O-CG1 3.34Å; A146-I150 PolarHBondContact O-N 3.1Å; L147-I150 PolarHBondContact O-N 3.47Å; T148-I150 PolarHBondContact O-N 3.1Å; I150-V152 VanDerWaalsContact C-N 3.32Å; I150-V152 PolarHBondContact O-N 3.25Å; I150-T153 PolarHBondContact O-N 3.33Å; I150-R154 HydrophobicContact CG2-CB 4.32Å; I150-R154 HydrophobicContact CG2-CG 4.41Å; I150-R154 WeakPolarHBondContact O-CA 3.45Å; I150-R154 WeakPolarHBondContact O-CB 3.23Å; I150-R154 PolarHBondContact O-N 2.87Å; I150-I162 HydrophobicContact CB-CD1 4.29Å; I150-I162 HydrophobicContact CD1-CD1 4.41Å; I150-I162 HydrophobicContact CG2-CD1 3.65Å; I150-V165 HydrophobicContact CG2-CG2 4.36Å
151L90.6Very high83.6Confident57 Ų5778.5 Ų78.530%0.29841%0.408SS..Hα-helixtrans-63.1-38.3-178-67.4-176.4000112.5L147 T148 G155 I162L147-L151 HydrophobicContact CD2-CD1 3.45Å; L147-L151 VanDerWaalsContact CD2-CD1 3.45Å; L147-L151 HydrophobicContact CD2-CG 4.01Å; L147-L151 HydrophobicContact CG-CD1 4.48Å; L147-L151 WeakPolarHBondContact O-CG 3.4Å; L147-L151 PolarHBondContact O-N 2.99Å; T148-L151 PolarHBondContact O-N 3.18Å; L151-G155 VanDerWaalsContact O-CA 3.28Å; L151-G155 WeakPolarHBondContact O-CA 3.2Å; L151-G155 PolarHBondContact O-N 2.94Å; L151-I162 HydrophobicContact CD2-CD1 4.39Å
152V89.2Confident83Confident115 Ų11575.5 Ų75.570%0.69740%0.399SS*.Hα-helixtrans-70.5-35.7178.9170.80000112.2T148 R149 I150T148-V152 HydrophobicContact CG2-CG2 4.19Å; T148-V152 WeakPolarHBondContact O-CB 3.36Å; T148-V152 VanDerWaalsContact O-CG2 3.27Å; T148-V152 WeakPolarHBondContact O-CG2 3.26Å; T148-V152 PolarHBondContact O-N 3.22Å; R149-V152 PolarHBondContact O-N 3.44Å; I150-V152 VanDerWaalsContact C-N 3.32Å; I150-V152 PolarHBondContact O-N 3.25Å
153T87.6Confident82.4Confident61 Ų6177.6 Ų77.637%0.37442%0.417SS..Hα-helixtrans-95-17-176.863.30000114.4R149 I150R149-T153 HydrophobicContact CG-CG2 4.5Å; R149-T153 WeakPolarHBondContact O-CG2 3.45Å; R149-T153 PolarHBondContact O-N 3.44Å; R149-T153 PolarHBondContact O-OG1 2.87Å; I150-T153 PolarHBondContact O-N 3.33Å
154R86.8Confident81.7Confident23 Ų2382.6 Ų82.69%0.08744%0.438CS..Hα-helixtrans-124.5-21.3-174.3-62.2-71129.6132.1148114.4E101 P105 I150 E156 V165 I169 D172E101-R154 VanDerWaalsContact CG-NH1 3.27Å; E101-R154 PolarHBondContact O-NH1 3.43Å; E101-R154 PolarHBondContact O-NH2 3.33Å; E101-R154 IonicContact OE1-CZ 3.43Å; E101-R154 IonicContact OE1-NH1 3.3Å; E101-R154 PolarHBondContact OE1-NH1 2.98Å; E101-R154 IonicContact OE2-NH1 3.79Å; P105-R154 HydrophobicContact CB-CG 4.11Å; P105-R154 HydrophobicContact CG-CG 4.34Å; I150-R154 HydrophobicContact CG2-CB 4.32Å; I150-R154 HydrophobicContact CG2-CG 4.41Å; I150-R154 WeakPolarHBondContact O-CA 3.45Å; I150-R154 WeakPolarHBondContact O-CB 3.23Å; I150-R154 PolarHBondContact O-N 2.87Å; R154-E156 PolarHBondContact O-N 3.23Å; R154-V165 HydrophobicContact CB-CB 4.47Å; R154-I169 HydrophobicContact CB-CG2 4.14Å; R154-I169 HydrophobicContact CG-CG2 3.69Å; R154-D172 IonicContact NH2-OD2 3.21Å
155G76.1Confident81.3Confident18 Ų1878.1 Ų78.119%0.18642%0.415CS..  trans-70.3114.8174.700000109.5L151 G157L151-G155 VanDerWaalsContact O-CA 3.28Å; L151-G155 WeakPolarHBondContact O-CA 3.2Å; L151-G155 PolarHBondContact O-N 2.94Å; G155-G157 PolarHBondContact O-N 3.35Å
156E66.1Low81.1Confident141 Ų14177.1 Ų77.166%0.65940%0.404SS*.SBendtrans-7756.6170.4-68.1179.4-163.800109.7R154 H160 K168R154-E156 PolarHBondContact O-N 3.23Å; E156-H160 PolarHBondContact O-CE1 2.95Å; E156-H160 VanDerWaalsContact O-CE1 3.24Å; E156-K168 IonicContact OE1-NZ 4Å; E156-K168 PolarHBondContact OE1-NZ 2.86Å
157G61.4Low80.9Confident43 Ų4379.5 Ų79.544%0.44343%0.429SS..SBendtrans133.4156.5-176.700000113.5G155 L159G155-G157 PolarHBondContact O-N 3.35Å; G157-L159 PolarHBondContact O-N 3.26Å
158L55Low80.9Confident185 Ų18581.6 Ų81.697%0.96944%0.436SS*.THydrogen-bonded Turntrans-66.4-3.5-172-66.9170.6000115.7
159L57.9Low80.9Confident162 Ų16277.7 Ų77.785%0.84841%0.412SS*.THydrogen-bonded Turntrans-126.36.4-168.6-63.8177.3000115.2G157G157-L159 PolarHBondContact O-N 3.26Å
160H66.1Low81.1Confident73 Ų7373.6 Ų73.634%0.33840%0.397SS..  trans-68.7137.3179.5-7744.7000111.3E156 E164 V165E156-H160 PolarHBondContact O-CE1 2.95Å; E156-H160 VanDerWaalsContact O-CE1 3.24Å; H160-E164 WeakPolarHBondContact CA-OE2 3.41Å; H160-E164 IonicContact CD2-OE2 3.73Å; H160-E164 IonicContact CG-OE2 2.62Å; H160-V165 HydrophobicContact CB-CG1 4.33Å
161R75.9Confident81.2Confident186 Ų18677.2 Ų77.270%0.70242%0.422SS*.  trans-78.6149.4171.9-70.4-176.2179.3-171.21.6109.6S163 E164R161-S163 PolarHBondContact O-N 2.9Å; R161-S163 VanDerWaalsContact O-N 3.16Å; R161-E164 HydrophobicContact CB-CG 4.26Å; R161-E164 PolarHBondContact N-OE2 3.43Å; R161-E164 WeakPolarHBondContact O-CB 3.27Å; R161-E164 PolarHBondContact O-N 3.22Å
162I81.8Confident81.5Confident37 Ų3775.2 Ų75.219%0.1941%0.411CS..Hα-helixtrans-54.8-38.3179.1-167.772.1000112.4V113 I150 L151 E164 V165 E166V113-I162 HydrophobicContact CG1-CG1 3.93Å; I150-I162 HydrophobicContact CB-CD1 4.29Å; I150-I162 HydrophobicContact CD1-CD1 4.41Å; I150-I162 HydrophobicContact CG2-CD1 3.65Å; L151-I162 HydrophobicContact CD2-CD1 4.39Å; I162-E164 PolarHBondContact O-N 3.44Å; I162-V165 HydrophobicContact CD1-CG2 4.09Å; I162-V165 WeakPolarHBondContact O-CG2 3.35Å; I162-V165 PolarHBondContact O-N 2.93Å; I162-E166 WeakPolarHBondContact O-CB 3.46Å; I162-E166 PolarHBondContact O-N 3.36Å
163S81.4Confident82Confident85 Ų8569.8 Ų69.859%0.59438%0.378SS*.Hα-helixtrans-62.2-25.3178.5-48.70000113.7R161R161-S163 PolarHBondContact O-N 2.9Å; R161-S163 VanDerWaalsContact O-N 3.16Å
164E81.5Confident82.5Confident117 Ų11770.3 Ų70.355%0.54738%0.376SS..Hα-helixtrans-78.6-33.1179.7-64.3164.6179.900111.4H160 R161 I162H160-E164 WeakPolarHBondContact CA-OE2 3.41Å; H160-E164 IonicContact CD2-OE2 3.73Å; H160-E164 IonicContact CG-OE2 2.62Å; R161-E164 HydrophobicContact CB-CG 4.26Å; R161-E164 PolarHBondContact N-OE2 3.43Å; R161-E164 WeakPolarHBondContact O-CB 3.27Å; R161-E164 PolarHBondContact O-N 3.22Å; I162-E164 PolarHBondContact O-N 3.44Å
165V87.1Confident83Confident7 Ų774.4 Ų74.44%0.04240%0.396CS..Hα-helixtrans-91.3-17.7179.2-62.50000112.8I150 R154 H160 I162 G167 K168 I169I150-V165 HydrophobicContact CG2-CG2 4.36Å; R154-V165 HydrophobicContact CB-CB 4.47Å; H160-V165 HydrophobicContact CB-CG1 4.33Å; I162-V165 HydrophobicContact CD1-CG2 4.09Å; I162-V165 WeakPolarHBondContact O-CG2 3.35Å; I162-V165 PolarHBondContact O-N 2.93Å; V165-G167 PolarHBondContact O-N 3.39Å; V165-K168 PolarHBondContact O-N 3.48Å; V165-K168 VanDerWaalsContact O-N 3.14Å; V165-I169 PolarHBondContact O-N 3.33Å
166E90.6Very high84.1Confident63 Ų6373.7 Ų73.729%0.29439%0.388SS..Hα-helixtrans-52.6-51.1-176.8-176.1176.9-178.400113.1H109 I162 K168 I169 Y170H109-E166 VanDerWaalsContact CE1-CD 3.49Å; H109-E166 IonicContact CE1-OE1 2.78Å; H109-E166 PolarHBondContact CE1-OE1 3.48Å; H109-E166 VanDerWaalsContact CE1-OE1 3.3Å; I162-E166 WeakPolarHBondContact O-CB 3.46Å; I162-E166 PolarHBondContact O-N 3.36Å; E166-K168 VanDerWaalsContact C-N 3.28Å; E166-K168 PolarHBondContact O-N 3.13Å; E166-I169 WeakPolarHBondContact O-CG1 3.13Å; E166-I169 PolarHBondContact O-N 3.25Å; E166-Y170 HydrophobicContact CG-CD2 3.68Å; E166-Y170 HydrophobicContact CG-CE2 3.62Å; E166-Y170 VanDerWaalsContact O-CD2 3.27Å; E166-Y170 WeakPolarHBondContact O-CD2 3.22Å; E166-Y170 PolarHBondContact O-N 2.97Å; E166-Y170 VanDerWaalsContact O-N 3.09Å
167G91.3Very high85.7Confident53 Ų5367 Ų6755%0.54636%0.356SS..Hα-helixtrans-59.8-40.1-179.800000112.5V165 S171V165-G167 PolarHBondContact O-N 3.39Å; G167-S171 WeakPolarHBondContact O-CB 3.35Å; G167-S171 PolarHBondContact O-N 3.17Å
168K92.4Very high87.4Confident103 Ų10368.4 Ų68.445%0.44835%0.354SS..Hα-helixtrans-68.2-46.9178.8-174.7173.1178.71720111.4E156 V165 E166 Y170 S171 D172E156-K168 IonicContact OE1-NZ 4Å; E156-K168 PolarHBondContact OE1-NZ 2.86Å; V165-K168 PolarHBondContact O-N 3.48Å; V165-K168 VanDerWaalsContact O-N 3.14Å; E166-K168 VanDerWaalsContact C-N 3.28Å; E166-K168 PolarHBondContact O-N 3.13Å; K168-Y170 VanDerWaalsContact C-N 3.3Å; K168-Y170 PolarHBondContact O-N 3.03Å; K168-S171 PolarHBondContact O-N 2.65Å; K168-D172 VanDerWaalsContact O-CB 3.3Å; K168-D172 WeakPolarHBondContact O-CB 3.36Å; K168-D172 PolarHBondContact O-N 2.86Å
169I94.8Very high89.5Confident0 Ų063 Ų630%033%0.325CS..Hα-helixtrans-61.8-38.1179.863.4173.3000111.9P105 H109 R154 V165 E166 A173P105-I169 HydrophobicContact CB-CG2 4.23Å; H109-I169 HydrophobicContact CB-CD1 3.54Å; R154-I169 HydrophobicContact CB-CG2 4.14Å; R154-I169 HydrophobicContact CG-CG2 3.69Å; V165-I169 PolarHBondContact O-N 3.33Å; E166-I169 WeakPolarHBondContact O-CG1 3.13Å; E166-I169 PolarHBondContact O-N 3.25Å; I169-A173 VanDerWaalsContact O-CB 3.3Å; I169-A173 WeakPolarHBondContact O-CB 3.42Å; I169-A173 PolarHBondContact O-N 3.26Å
170Y96.1Very high91.4Very high17 Ų1755.2 Ų55.27%0.06729%0.285CS..Hα-helixtrans-73.1-38.2177.5-80.6-63.1000112.4A106 H109 T110 E166 K168 A173 K174 L219A106-Y170 HydrophobicContact CB-CD1 4.22Å; A106-Y170 HydrophobicContact CB-CE1 4.37Å; H109-Y170 AromaticContact CE1-CE2 3.93Å; H109-Y170 AromaticContact ND1-CE2 3.48Å; H109-Y170 WeakPolarHBondContact ND1-CE2 3.26Å; H109-Y170 AromaticContact ND1-CZ 3.54Å; H109-Y170 PolarHBondContact ND1-OH 3.34Å; T110-Y170 WeakPolarHBondContact OG1-CE1 3.43Å; T110-Y170 PolarHBondContact OG1-OH 3.32Å; E166-Y170 HydrophobicContact CG-CD2 3.68Å; E166-Y170 HydrophobicContact CG-CE2 3.62Å; E166-Y170 VanDerWaalsContact O-CD2 3.27Å; E166-Y170 WeakPolarHBondContact O-CD2 3.22Å; E166-Y170 PolarHBondContact O-N 2.97Å; E166-Y170 VanDerWaalsContact O-N 3.09Å; K168-Y170 VanDerWaalsContact C-N 3.3Å; K168-Y170 PolarHBondContact O-N 3.03Å; Y170-A173 PolarHBondContact O-N 3.46Å; Y170-K174 VanDerWaalsContact O-CG 3.3Å; Y170-K174 WeakPolarHBondContact O-CG 3.48Å; Y170-K174 PolarHBondContact O-N 2.7Å; Y170-L219 HydrophobicContact CD1-CB 3.88Å; Y170-L219 HydrophobicContact CD1-CD1 4.47Å; Y170-L219 HydrophobicContact CD1-CD2 4.42Å; Y170-L219 HydrophobicContact CD1-CG 4.48Å; Y170-L219 HydrophobicContact CE1-CB 3.76Å; Y170-L219 HydrophobicContact CE1-CD2 4.28Å
171S96.3Very high93Very high75 Ų7552.7 Ų52.752%0.52428%0.275SS..Hα-helixtrans-61.1-49.6174-172.60000111.3G167 K168 A173 K174 E175G167-S171 WeakPolarHBondContact O-CB 3.35Å; G167-S171 PolarHBondContact O-N 3.17Å; K168-S171 PolarHBondContact O-N 2.65Å; S171-A173 VanDerWaalsContact C-N 3.32Å; S171-A173 PolarHBondContact O-N 2.95Å; S171-K174 PolarHBondContact O-N 2.82Å; S171-E175 PolarHBondContact O-N 2.66Å
172D96.9Very high94Very high16 Ų1653.2 Ų53.29%0.08628%0.278CS..Hα-helixtrans-57.4-43.2176.9-87.4-6.3000112.3K102 R154 K168 E175 C176K102-D172 HydrophobicContact CD-CB 3.53Å; K102-D172 VanDerWaalsContact CD-CG 3.49Å; K102-D172 WeakPolarHBondContact CD-OD2 3.5Å; K102-D172 IonicContact NZ-OD1 3.86Å; K102-D172 PolarHBondContact NZ-OD1 2.84Å; K102-D172 IonicContact NZ-OD2 2.81Å; K102-D172 PolarHBondContact NZ-OD2 2.8Å; R154-D172 IonicContact NH2-OD2 3.21Å; K168-D172 VanDerWaalsContact O-CB 3.3Å; K168-D172 WeakPolarHBondContact O-CB 3.36Å; K168-D172 PolarHBondContact O-N 2.86Å; D172-E175 PolarHBondContact O-N 3.43Å; D172-C176 WeakPolarHBondContact O-CB 3.31Å; D172-C176 PolarHBondContact O-N 3.21Å
173A98.3Very high94.7Very high0 Ų054.8 Ų54.80%028%0.282CS..Hα-helixtrans-66.3-40.917800000112.3L103 A106 I169 Y170 S171 E175 C176 L177 L219L103-A173 HydrophobicContact CD1-CB 3.96Å; A106-A173 HydrophobicContact CB-CB 3.41Å; A106-A173 VanDerWaalsContact CB-CB 3.41Å; I169-A173 VanDerWaalsContact O-CB 3.3Å; I169-A173 WeakPolarHBondContact O-CB 3.42Å; I169-A173 PolarHBondContact O-N 3.26Å; Y170-A173 PolarHBondContact O-N 3.46Å; S171-A173 VanDerWaalsContact C-N 3.32Å; S171-A173 PolarHBondContact O-N 2.95Å; A173-E175 VanDerWaalsContact C-N 3.35Å; A173-C176 WeakPolarHBondContact O-CB 3.34Å; A173-C176 PolarHBondContact O-N 2.73Å; A173-L177 WeakPolarHBondContact O-CG 3.27Å; A173-L177 PolarHBondContact O-N 3.46Å; A173-L219 HydrophobicContact CB-CD1 3.78Å; A173-L219 HydrophobicContact CB-CD2 4.39Å
174K98.4Very high95.5Very high73 Ų7351 Ų5132%0.31726%0.255SS..Hα-helixtrans-63.1-41.2176-72.2176.5-177.1-1790111.8Y170 S171 L177 N178 L219 H222Y170-K174 VanDerWaalsContact O-CG 3.3Å; Y170-K174 WeakPolarHBondContact O-CG 3.48Å; Y170-K174 PolarHBondContact O-N 2.7Å; S171-K174 PolarHBondContact O-N 2.82Å; K174-L177 PolarHBondContact O-N 3.41Å; K174-N178 VanDerWaalsContact O-CG 3.24Å; K174-N178 PolarHBondContact O-N 3.48Å; K174-N178 PolarHBondContact O-ND2 3.43Å; K174-L219 HydrophobicContact CG-CD1 4.22Å; K174-H222 HydrophobicContact CD-CB 4.42Å; K174-H222 HydrophobicContact CG-CB 4.14Å
175E98.4Very high96.2Very high109 Ų10947 Ų4751%0.50925%0.245SC..Hα-helixtrans-60.8-45.6173.7-173.3-179-173.100111.2S171 D172 A173 L177 N178 L179S171-E175 PolarHBondContact O-N 2.66Å; D172-E175 PolarHBondContact O-N 3.43Å; A173-E175 VanDerWaalsContact C-N 3.35Å; E175-L177 PolarHBondContact O-N 2.96Å; E175-N178 PolarHBondContact O-N 2.94Å; E175-L179 HydrophobicContact CG-CD1 4.38Å; E175-L179 WeakPolarHBondContact O-CG 3.12Å; E175-L179 PolarHBondContact O-N 2.88Å
176C98.6Very high96.6Very high2 Ų253.4 Ų53.41%0.01429%0.285CS..Hα-helixtrans-57.2-45.8174.8177.30000112.2L98 K102 D172 A173 N178 L179 L180L98-C176 HydrophobicContact CG-CB 4.42Å; K102-C176 HydrophobicContact CB-CB 3.75Å; D172-C176 WeakPolarHBondContact O-CB 3.31Å; D172-C176 PolarHBondContact O-N 3.21Å; A173-C176 WeakPolarHBondContact O-CB 3.34Å; A173-C176 PolarHBondContact O-N 2.73Å; C176-N178 VanDerWaalsContact C-N 3.33Å; C176-N178 PolarHBondContact O-N 3.39Å; C176-L179 PolarHBondContact O-N 2.93Å; C176-L180 WeakPolarHBondContact O-CG 3.38Å; C176-L180 PolarHBondContact O-N 3.23Å
177L98.7Very high96.9Very high0 Ų051.4 Ų51.40%028%0.279CS..Hα-helixtrans-60.6-41.7176.4-68.8179.2000112L103 A173 K174 E175 L180 S181 L206 L219 L223 L226 L229L103-L177 HydrophobicContact CD1-CD2 4.21Å; L103-L177 HydrophobicContact CD1-CG 4.37Å; L103-L177 HydrophobicContact CD2-CD2 4.08Å; A173-L177 WeakPolarHBondContact O-CG 3.27Å; A173-L177 PolarHBondContact O-N 3.46Å; K174-L177 PolarHBondContact O-N 3.41Å; E175-L177 PolarHBondContact O-N 2.96Å; L177-L180 PolarHBondContact O-N 3.22Å; L177-S181 WeakPolarHBondContact O-CB 3.31Å; L177-S181 PolarHBondContact O-N 3.4Å; L177-L206 HydrophobicContact CD2-CD2 3.3Å; L177-L219 HydrophobicContact CD1-CD1 3.83Å; L177-L223 HydrophobicContact CD1-CB 4.18Å; L177-L223 HydrophobicContact CD2-CD1 4.18Å; L177-L226 HydrophobicContact CB-CD1 3.71Å; L177-L229 HydrophobicContact CD2-CD1 4.34Å
178N98.6Very high97Very high73 Ų7353.2 Ų53.239%0.3928%0.276SS..Hα-helixtrans-64.2-41.8176.6-66.5-21.8000111.7K174 E175 C176 S181 Y182 H222K174-N178 VanDerWaalsContact O-CG 3.24Å; K174-N178 PolarHBondContact O-N 3.48Å; K174-N178 PolarHBondContact O-ND2 3.43Å; E175-N178 PolarHBondContact O-N 2.94Å; C176-N178 VanDerWaalsContact C-N 3.33Å; C176-N178 PolarHBondContact O-N 3.39Å; N178-S181 PolarHBondContact O-N 3.42Å; N178-Y182 WeakPolarHBondContact O-CB 3.09Å; N178-Y182 PolarHBondContact O-N 2.82Å; N178-H222 PolarHBondContact OD1-NE2 2.62Å
179L98.5Very high97.2Very high71 Ų7150.1 Ų50.137%0.37226%0.262SS..Hα-helixtrans-64.3-40.6176.7-71.1173000112.2L98 E175 C176 R183L98-L179 HydrophobicContact CD2-CB 4.25Å; L98-L179 HydrophobicContact CD2-CD1 3.94Å; E175-L179 HydrophobicContact CG-CD1 4.38Å; E175-L179 WeakPolarHBondContact O-CG 3.12Å; E175-L179 PolarHBondContact O-N 2.88Å; C176-L179 PolarHBondContact O-N 2.93Å; L179-R183 WeakPolarHBondContact O-CB 3.32Å; L179-R183 PolarHBondContact O-N 3.44Å
180L98.4Very high97.3Very high0 Ų050.1 Ų50.10%026%0.262CS..Hα-helixtrans-65.5-44.9174.8-69.9167.8000111.3Y95 L99 C176 L177 Y182 R183 L184 F190 L229Y95-L180 HydrophobicContact CD1-CD2 3.94Å; L99-L180 HydrophobicContact CD2-CD1 3.54Å; L99-L180 HydrophobicContact CG-CD1 4.36Å; C176-L180 WeakPolarHBondContact O-CG 3.38Å; C176-L180 PolarHBondContact O-N 3.23Å; L177-L180 PolarHBondContact O-N 3.22Å; L180-Y182 VanDerWaalsContact C-N 3.34Å; L180-Y182 PolarHBondContact O-N 3.17Å; L180-R183 PolarHBondContact O-N 2.75Å; L180-L184 WeakPolarHBondContact O-CB 3.45Å; L180-L184 PolarHBondContact O-N 3.46Å; L180-F190 HydrophobicContact CB-CE1 4.32Å; L180-F190 HydrophobicContact CB-CZ 4.23Å; L180-F190 HydrophobicContact CD2-CE1 3.81Å; L180-F190 HydrophobicContact CD2-CZ 3.83Å; L180-L229 HydrophobicContact CB-CD1 4.36Å; L180-L229 HydrophobicContact CB-CD2 4.28Å
181S98.4Very high97.2Very high19 Ų1949.8 Ų49.813%0.13326%0.261CS..Hα-helixtrans-60.5-44.4176.4177.60000111.2L177 N178 R183 L184 G185 N228L177-S181 WeakPolarHBondContact O-CB 3.31Å; L177-S181 PolarHBondContact O-N 3.4Å; N178-S181 PolarHBondContact O-N 3.42Å; S181-R183 PolarHBondContact O-N 3.18Å; S181-L184 PolarHBondContact O-N 3.42Å; S181-G185 PolarHBondContact O-N 2.88Å; S181-N228 PolarHBondContact O-ND2 3Å; S181-N228 VanDerWaalsContact OG-CG 3.3Å; S181-N228 PolarHBondContact OG-ND2 3.26Å; S181-N228 VanDerWaalsContact OG-ND2 3.12Å; S181-N228 PolarHBondContact OG-OD1 3.08Å
182Y98Very high96.6Very high197 Ų19751.3 Ų51.377%0.77326%0.263SS*.Hα-helixtrans-60.6-44.5174.6178.1-99.1000111.8N178 L180 G185N178-Y182 WeakPolarHBondContact O-CB 3.09Å; N178-Y182 PolarHBondContact O-N 2.82Å; L180-Y182 VanDerWaalsContact C-N 3.34Å; L180-Y182 PolarHBondContact O-N 3.17Å; Y182-G185 PolarHBondContact O-N 3.43Å
183R97.1Very high95.8Very high70 Ų7057 Ų5726%0.26429%0.294SS..Hα-helixtrans-67.7-39.7-178.6-179.961.8-172.189.15113Y95 L179 L180 S181 F190Y95-R183 HydrophobicContact CE1-CB 4.14Å; Y95-R183 HydrophobicContact CE1-CG 4.24Å; Y95-R183 HydrophobicContact CE2-CG 3.78Å; Y95-R183 WeakPolarHBondContact OH-CB 3.46Å; Y95-R183 WeakPolarHBondContact OH-CD 3.23Å; Y95-R183 WeakPolarHBondContact OH-CG 3.27Å; L179-R183 WeakPolarHBondContact O-CB 3.32Å; L179-R183 PolarHBondContact O-N 3.44Å; L180-R183 PolarHBondContact O-N 2.75Å; S181-R183 PolarHBondContact O-N 3.18Å; R183-F190 HydrophobicContact CB-CD1 4.28Å; R183-F190 HydrophobicContact CB-CE1 4.24Å; R183-F190 HydrophobicContact CG-CD1 3.78Å; R183-F190 HydrophobicContact CG-CE1 4.23Å; R183-F190 PolarHBondContact NH1-O 3.06Å; R183-F190 VanDerWaalsContact NH1-O 3.09Å; R183-F190 PolarHBondContact NH2-O 2.59Å
184L97.6Very high95.4Very high5 Ų558.7 Ų58.73%0.02631%0.306CS..Hα-helixtrans-69.5-39.8177-176.669.9000110.7L180 S181 T186 A187 F190 N228 L229 F232L180-L184 WeakPolarHBondContact O-CB 3.45Å; L180-L184 PolarHBondContact O-N 3.46Å; S181-L184 PolarHBondContact O-N 3.42Å; L184-T186 PolarHBondContact O-N 2.99Å; L184-T186 VanDerWaalsContact O-N 3.12Å; L184-A187 HydrophobicContact CD1-CB 4.5Å; L184-A187 VanDerWaalsContact O-CB 3.29Å; L184-A187 WeakPolarHBondContact O-CB 3.24Å; L184-A187 PolarHBondContact O-N 3.2Å; L184-F190 HydrophobicContact CB-CD1 4.45Å; L184-F190 HydrophobicContact CB-CE1 4.09Å; L184-F190 HydrophobicContact CB-CZ 4.3Å; L184-F190 HydrophobicContact CD1-CD2 4.27Å; L184-F190 HydrophobicContact CD1-CE2 4.37Å; L184-F190 HydrophobicContact CD1-CG 4.39Å; L184-N228 HydrophobicContact CD2-CB 4.34Å; L184-L229 HydrophobicContact CB-CD2 4.47Å; L184-L229 HydrophobicContact CD2-CD2 3.84Å; L184-F232 HydrophobicContact CD1-CD2 4.11Å; L184-F232 HydrophobicContact CD2-CB 3.73Å; L184-F232 HydrophobicContact CD2-CD2 4.24Å; L184-F232 HydrophobicContact CD2-CG 4.13Å
185G96.7Very high95.3Very high33 Ų3356.2 Ų56.234%0.3430%0.297SS..THydrogen-bonded Turntrans58.6-117.4179.700000111.4S181 Y182 N228S181-G185 PolarHBondContact O-N 2.88Å; Y182-G185 PolarHBondContact O-N 3.43Å; G185-N228 WeakPolarHBondContact O-CB 3.33Å; G185-N228 PolarHBondContact O-ND2 2.68Å
186T95.5Very high95.2Very high142 Ų14251.1 Ų51.187%0.87127%0.273SS*.THydrogen-bonded Turntrans-107.61.6179.858.60000113.2L184L184-T186 PolarHBondContact O-N 2.99Å; L184-T186 VanDerWaalsContact O-N 3.12Å
187A95.5Very high95.2Very high22 Ų2251.1 Ų51.118%0.18227%0.273CS..  trans-73.2155.2-178.500000112.1L184 Y189 D192L184-A187 HydrophobicContact CD1-CB 4.5Å; L184-A187 VanDerWaalsContact O-CB 3.29Å; L184-A187 WeakPolarHBondContact O-CB 3.24Å; L184-A187 PolarHBondContact O-N 3.2Å; A187-Y189 WeakPolarHBondContact CB-O 3.42Å; A187-D192 WeakPolarHBondContact CB-OD1 3.34Å
188D94.2Very high95.1Very high91 Ų9151.1 Ų51.149%0.48727%0.273SS..SBendtrans-77.7-24.9172-72.2-39.9000112.4F232 N235D188-F232 WeakPolarHBondContact O-CD2 3.49Å; D188-N235 PolarHBondContact OD1-ND2 2.86Å
189Y96.6Very high95.1Very high38 Ų3847.6 Ų47.615%0.14925%0.254CS..SBendtrans-138.8157.8179.3-57.2-64000110.2A187 F191 D192 P195 D199 F232 I236A187-Y189 WeakPolarHBondContact CB-O 3.42Å; Y189-F191 PolarHBondContact O-N 3.28Å; Y189-D192 PolarHBondContact O-N 2.83Å; Y189-D192 VanDerWaalsContact O-N 3.13Å; Y189-P195 HydrophobicContact CD1-CB 3.75Å; Y189-P195 HydrophobicContact CE1-CB 3.58Å; Y189-P195 HydrophobicContact CE1-CG 4.2Å; Y189-P195 HydrophobicContact CG-CB 4.36Å; Y189-D199 VanDerWaalsContact CA-OD1 3.25Å; Y189-D199 WeakPolarHBondContact CA-OD1 3.21Å; Y189-D199 WeakPolarHBondContact CB-OD1 2.99Å; Y189-D199 HydrophobicContact CD1-CB 4.43Å; Y189-F232 HydrophobicContact CD1-CE2 4.43Å; Y189-I236 HydrophobicContact CE1-CG1 4.25Å
190F96.6Very high95.1Very high0 Ų044.2 Ų44.20%024%0.237CC..THydrogen-bonded Turntrans-61.4-21.1-176.8-79.4-88.9000114.2L180 R183 L184 L198 D199 A202 F232L180-F190 HydrophobicContact CB-CE1 4.32Å; L180-F190 HydrophobicContact CB-CZ 4.23Å; L180-F190 HydrophobicContact CD2-CE1 3.81Å; L180-F190 HydrophobicContact CD2-CZ 3.83Å; R183-F190 HydrophobicContact CB-CD1 4.28Å; R183-F190 HydrophobicContact CB-CE1 4.24Å; R183-F190 HydrophobicContact CG-CD1 3.78Å; R183-F190 HydrophobicContact CG-CE1 4.23Å; R183-F190 PolarHBondContact NH1-O 3.06Å; R183-F190 VanDerWaalsContact NH1-O 3.09Å; R183-F190 PolarHBondContact NH2-O 2.59Å; L184-F190 HydrophobicContact CB-CD1 4.45Å; L184-F190 HydrophobicContact CB-CE1 4.09Å; L184-F190 HydrophobicContact CB-CZ 4.3Å; L184-F190 HydrophobicContact CD1-CD2 4.27Å; L184-F190 HydrophobicContact CD1-CE2 4.37Å; L184-F190 HydrophobicContact CD1-CG 4.39Å; F190-L198 HydrophobicContact CB-CD2 3.65Å; F190-L198 HydrophobicContact CB-CG 4.1Å; F190-L198 HydrophobicContact CD1-CD2 3.96Å; F190-L198 HydrophobicContact CD1-CG 4.42Å; F190-L198 HydrophobicContact CD2-CD2 4.42Å; F190-L198 HydrophobicContact CD2-CG 4.11Å; F190-L198 HydrophobicContact CG-CD2 3.75Å; F190-L198 HydrophobicContact CG-CG 3.95Å; F190-D199 WeakPolarHBondContact CD2-OD1 3.29Å; F190-D199 PolarHBondContact N-OD1 3.42Å; F190-A202 HydrophobicContact CD2-CB 4.31Å; F190-A202 HydrophobicContact CE2-CB 3.44Å; F190-A202 VanDerWaalsContact CE2-CB 3.44Å; F190-A202 HydrophobicContact CZ-CB 3.99Å; F190-F232 HydrophobicContact CD2-CE2 4.27Å; F190-F232 HydrophobicContact CD2-CZ 4.34Å; F190-F232 HydrophobicContact CE2-CE1 4.44Å; F190-F232 HydrophobicContact CE2-CE2 4.18Å; F190-F232 AromaticContact CE2-CZ 4Å; F190-F232 HydrophobicContact CE2-CZ 4Å
191F94.4Very high95.1Very high10 Ų1044.4 Ų44.44%0.04424%0.238CC..THydrogen-bonded Turntrans-125.628176.5-56.6-68.7000113.3L84 Q88 D91 T92 Y189 N193 T196 L198L84-F191 HydrophobicContact CD1-CE2 4.32Å; L84-F191 HydrophobicContact CD2-CB 4.25Å; L84-F191 HydrophobicContact CD2-CD2 3.71Å; L84-F191 HydrophobicContact CD2-CE2 4.18Å; L84-F191 HydrophobicContact CD2-CG 3.98Å; Q88-F191 HydrophobicContact CB-CD1 3.97Å; Q88-F191 HydrophobicContact CB-CE1 3.63Å; Q88-F191 HydrophobicContact CB-CZ 3.95Å; Q88-F191 HydrophobicContact CG-CD1 3.63Å; Q88-F191 HydrophobicContact CG-CE1 3.61Å; Q88-F191 HydrophobicContact CG-CG 4.45Å; Q88-F191 HydrophobicContact CG-CZ 4.43Å; Q88-F191 WeakPolarHBondContact O-CZ 3.28Å; D91-F191 HydrophobicContact CB-CE1 4.44Å; D91-F191 HydrophobicContact CB-CZ 4.3Å; T92-F191 VanDerWaalsContact OG1-CE2 3.23Å; T92-F191 WeakPolarHBondContact OG1-CE2 3.22Å; T92-F191 WeakPolarHBondContact OG1-CZ 3.44Å; Y189-F191 PolarHBondContact O-N 3.28Å; F191-N193 PolarHBondContact O-N 3.46Å; F191-T196 HydrophobicContact CD2-CG2 3.94Å; F191-L198 HydrophobicContact CE2-CB 4.15Å; F191-L198 HydrophobicContact CE2-CD2 3.85Å; F191-L198 HydrophobicContact CZ-CD2 3.98Å
192D82.2Confident95.1Very high106 Ų10643.5 Ų43.557%0.56723%0.231SC*.SBendtrans65.2-48.5169.8-56.9-54.5000117.9A187 Y189A187-D192 WeakPolarHBondContact CB-OD1 3.34Å; Y189-D192 PolarHBondContact O-N 2.83Å; Y189-D192 VanDerWaalsContact O-N 3.13Å
193N80.8Confident95.1Very high136 Ų13634.1 Ų34.173%0.72719%0.194SC*.SBendtrans-81-45.5-165.8-745.2000113.7F191F191-N193 PolarHBondContact O-N 3.46Å
194S90.1Very high95.2Very high36 Ų3630.8 Ų30.825%0.25218%0.182SC..SBendtrans-153.8151.5-169.356.60000110E83 T196E83-S194 PolarHBondContact OE2-OG 2.82Å; S194-T196 WeakPolarHBondContact O-CG2 3.46Å
195P96.4Very high95.2Very high20 Ų2030.6 Ų30.613%0.1318%0.181CC..  trans-70.3134.9178.728.5-34.1000110.9F32 Y189 D199F32-P195 HydrophobicContact CB-CB 4.15Å; F32-P195 HydrophobicContact CB-CG 3.95Å; F32-P195 HydrophobicContact CD1-CB 3.56Å; F32-P195 HydrophobicContact CD1-CG 3.55Å; F32-P195 HydrophobicContact CD2-CB 3.64Å; F32-P195 HydrophobicContact CD2-CG 4.34Å; F32-P195 HydrophobicContact CE1-CB 3.73Å; F32-P195 HydrophobicContact CE1-CG 4.09Å; F32-P195 HydrophobicContact CE2-CB 3.78Å; F32-P195 HydrophobicContact CG-CB 3.52Å; F32-P195 HydrophobicContact CG-CG 3.71Å; F32-P195 HydrophobicContact CZ-CB 3.84Å; Y189-P195 HydrophobicContact CD1-CB 3.75Å; Y189-P195 HydrophobicContact CE1-CB 3.58Å; Y189-P195 HydrophobicContact CE1-CG 4.2Å; Y189-P195 HydrophobicContact CG-CB 4.36Å; P195-D199 HydrophobicContact CB-CB 4.45Å
196T96.9Very high95.3Very high2 Ų229 Ų291%0.01216%0.164CC..  trans-116.6-179-17468.20000112F32 L84 F191 S194 L198 D199 A200F32-T196 WeakPolarHBondContact CD2-O 3.11Å; L84-T196 HydrophobicContact CD1-CG2 4.43Å; L84-T196 HydrophobicContact CD2-CG2 3.96Å; L84-T196 HydrophobicContact CG-CG2 4.37Å; F191-T196 HydrophobicContact CD2-CG2 3.94Å; S194-T196 WeakPolarHBondContact O-CG2 3.46Å; T196-L198 PolarHBondContact O-N 3.5Å; T196-L198 PolarHBondContact OG1-N 3.27Å; T196-D199 WeakPolarHBondContact CB-OD2 3.37Å; T196-D199 PolarHBondContact N-OD2 3.05Å; T196-D199 PolarHBondContact O-N 3.25Å; T196-D199 PolarHBondContact OG1-OD2 3.24Å; T196-A200 PolarHBondContact O-N 3.45Å; T196-A200 VanDerWaalsContact O-N 3.12Å
197S97.1Very high95.4Very high2 Ų222.2 Ų22.21%0.01412%0.123CC..Hα-helixtrans-58.2-36.7169.952.40000112.8D81 T92 D199 A200 F201D81-S197 VanDerWaalsContact OD1-CB 3.25Å; D81-S197 WeakPolarHBondContact OD1-CB 3.26Å; D81-S197 PolarHBondContact OD1-N 3.3Å; D81-S197 PolarHBondContact OD1-OG 3.44Å; D81-S197 WeakPolarHBondContact OD2-CB 3.25Å; D81-S197 PolarHBondContact OD2-OG 3.46Å; D81-S197 VanDerWaalsContact OD2-OG 3.09Å; T92-S197 WeakPolarHBondContact CG2-OG 3.4Å; S197-D199 VanDerWaalsContact C-N 3.34Å; S197-D199 PolarHBondContact O-N 2.66Å; S197-A200 WeakPolarHBondContact O-CB 3.4Å; S197-A200 PolarHBondContact O-N 2.83Å; S197-A200 VanDerWaalsContact O-N 3.17Å; S197-F201 WeakPolarHBondContact O-CD2 3.37Å; S197-F201 PolarHBondContact O-N 3.43Å
198L97.8Very high95.5Very high0 Ų021.2 Ų21.20%012%0.115CC..Hα-helixtrans-60.5-45.5176.3178.153.4000111T92 Y95 I96 F190 F191 T196 A200 F201 A202T92-L198 HydrophobicContact CG2-CB 4.05Å; Y95-L198 VanDerWaalsContact CB-CD1 3.46Å; Y95-L198 HydrophobicContact CD2-CD2 4.09Å; Y95-L198 HydrophobicContact CG-CD1 4.42Å; Y95-L198 HydrophobicContact CG-CD2 4.29Å; I96-L198 HydrophobicContact CG1-CD1 4.33Å; F190-L198 HydrophobicContact CB-CD2 3.65Å; F190-L198 HydrophobicContact CB-CG 4.1Å; F190-L198 HydrophobicContact CD1-CD2 3.96Å; F190-L198 HydrophobicContact CD1-CG 4.42Å; F190-L198 HydrophobicContact CD2-CD2 4.42Å; F190-L198 HydrophobicContact CD2-CG 4.11Å; F190-L198 HydrophobicContact CG-CD2 3.75Å; F190-L198 HydrophobicContact CG-CG 3.95Å; F191-L198 HydrophobicContact CE2-CB 4.15Å; F191-L198 HydrophobicContact CE2-CD2 3.85Å; F191-L198 HydrophobicContact CZ-CD2 3.98Å; T196-L198 PolarHBondContact O-N 3.5Å; T196-L198 PolarHBondContact OG1-N 3.27Å; L198-A200 VanDerWaalsContact C-N 3.25Å; L198-A200 PolarHBondContact O-N 3.28Å; L198-F201 PolarHBondContact O-N 3.12Å; L198-A202 WeakPolarHBondContact O-CB 3.42Å; L198-A202 PolarHBondContact O-N 3.17Å
199D98.4Very high95.7Very high0 Ų016.9 Ų16.90%09%0.091CC..Hα-helixtrans-61.1-36.8177.3-57.2-82000111.4F32 Y189 F190 P195 T196 S197 F203 F232F32-D199 HydrophobicContact CE2-CB 3.97Å; Y189-D199 VanDerWaalsContact CA-OD1 3.25Å; Y189-D199 WeakPolarHBondContact CA-OD1 3.21Å; Y189-D199 WeakPolarHBondContact CB-OD1 2.99Å; Y189-D199 HydrophobicContact CD1-CB 4.43Å; F190-D199 WeakPolarHBondContact CD2-OD1 3.29Å; F190-D199 PolarHBondContact N-OD1 3.42Å; P195-D199 HydrophobicContact CB-CB 4.45Å; T196-D199 WeakPolarHBondContact CB-OD2 3.37Å; T196-D199 PolarHBondContact N-OD2 3.05Å; T196-D199 PolarHBondContact O-N 3.25Å; T196-D199 PolarHBondContact OG1-OD2 3.24Å; S197-D199 VanDerWaalsContact C-N 3.34Å; S197-D199 PolarHBondContact O-N 2.66Å; D199-F203 WeakPolarHBondContact O-CB 3.47Å; D199-F203 PolarHBondContact O-N 3.37Å; D199-F232 HydrophobicContact CB-CE2 4.18Å; D199-F232 HydrophobicContact CB-CZ 4.03Å; D199-F232 WeakPolarHBondContact OD1-CE2 3.33Å
200A98.4Very high95.7Very high0 Ų016.4 Ų16.40%09%0.09CC..Hα-helixtrans-67-42.7178.700000111.6V25 A28 Y29 F32 T196 S197 L198 G204V25-A200 HydrophobicContact CG1-CB 4.46Å; A28-A200 HydrophobicContact CB-CB 4.07Å; Y29-A200 HydrophobicContact CD2-CB 4.37Å; F32-A200 HydrophobicContact CD2-CB 3.97Å; F32-A200 HydrophobicContact CE2-CB 3.76Å; T196-A200 PolarHBondContact O-N 3.45Å; T196-A200 VanDerWaalsContact O-N 3.12Å; S197-A200 WeakPolarHBondContact O-CB 3.4Å; S197-A200 PolarHBondContact O-N 2.83Å; S197-A200 VanDerWaalsContact O-N 3.17Å; L198-A200 VanDerWaalsContact C-N 3.25Å; L198-A200 PolarHBondContact O-N 3.28Å; A200-G204 PolarHBondContact O-N 3.5Å
201F98.5Very high95.7Very high4 Ų419.5 Ų19.52%0.01810%0.104CC..Hα-helixtrans-66.2-49.5175-88.4-88000111.8V25 P66 T67 L70 I96 L99 S197 L198 F203 G204 F205V25-F201 HydrophobicContact CG1-CD1 3.99Å; V25-F201 HydrophobicContact CG1-CD2 3.75Å; V25-F201 HydrophobicContact CG1-CE1 4.01Å; V25-F201 HydrophobicContact CG1-CE2 3.79Å; V25-F201 HydrophobicContact CG1-CG 3.86Å; V25-F201 HydrophobicContact CG1-CZ 3.91Å; V25-F201 HydrophobicContact CG2-CD1 4.16Å; V25-F201 HydrophobicContact CG2-CG 4.44Å; P66-F201 HydrophobicContact CB-CE1 4.48Å; P66-F201 HydrophobicContact CB-CZ 4.21Å; T67-F201 HydrophobicContact CG2-CZ 3.85Å; L70-F201 HydrophobicContact CD2-CD2 4.34Å; L70-F201 HydrophobicContact CD2-CE2 3.61Å; L70-F201 HydrophobicContact CD2-CZ 4.42Å; I96-F201 HydrophobicContact CD1-CD2 3.53Å; I96-F201 HydrophobicContact CD1-CE2 3.82Å; I96-F201 HydrophobicContact CD1-CG 4.1Å; I96-F201 HydrophobicContact CG1-CB 4.03Å; I96-F201 HydrophobicContact CG1-CD1 4.45Å; I96-F201 HydrophobicContact CG1-CD2 3.84Å; I96-F201 HydrophobicContact CG1-CE2 4.42Å; I96-F201 HydrophobicContact CG1-CG 3.86Å; I96-F201 HydrophobicContact CG2-CD1 4.03Å; I96-F201 HydrophobicContact CG2-CD2 4.45Å; I96-F201 HydrophobicContact CG2-CE1 4.01Å; I96-F201 HydrophobicContact CG2-CE2 4.43Å; I96-F201 HydrophobicContact CG2-CG 4.26Å; I96-F201 HydrophobicContact CG2-CZ 4.23Å; L99-F201 HydrophobicContact CD1-CB 3.94Å; S197-F201 WeakPolarHBondContact O-CD2 3.37Å; S197-F201 PolarHBondContact O-N 3.43Å; L198-F201 PolarHBondContact O-N 3.12Å; F201-F203 VanDerWaalsContact C-N 3.32Å; F201-F203 PolarHBondContact O-N 3.49Å; F201-G204 PolarHBondContact O-N 2.94Å; F201-F205 HydrophobicContact CD1-CE2 4.03Å; F201-F205 WeakPolarHBondContact O-CD2 3.23Å; F201-F205 PolarHBondContact O-N 3.46Å; F201-F205 VanDerWaalsContact O-N 3.13Å
202A98.5Very high95.8Very high0 Ų019 Ų190%010%0.102CC..Hα-helixtrans-57-48177.400000110.9L99 F190 L198 G204 F205 L206 F232L99-A202 HydrophobicContact CD1-CB 4.44Å; F190-A202 HydrophobicContact CD2-CB 4.31Å; F190-A202 HydrophobicContact CE2-CB 3.44Å; F190-A202 VanDerWaalsContact CE2-CB 3.44Å; F190-A202 HydrophobicContact CZ-CB 3.99Å; L198-A202 WeakPolarHBondContact O-CB 3.42Å; L198-A202 PolarHBondContact O-N 3.17Å; A202-G204 PolarHBondContact O-N 2.91Å; A202-F205 PolarHBondContact O-N 2.99Å; A202-L206 HydrophobicContact CB-CD1 4.35Å; A202-L206 VanDerWaalsContact O-CB 3.26Å; A202-L206 WeakPolarHBondContact O-CB 3.43Å; A202-L206 WeakPolarHBondContact O-CG 3.48Å; A202-L206 PolarHBondContact O-N 3.23Å; A202-F232 HydrophobicContact CB-CE1 4.04Å; A202-F232 HydrophobicContact CB-CZ 4.16Å
203F98.6Very high96.4Very high0 Ų020.4 Ų20.40%011%0.109CC..Hα-helixtrans-59.1-48.5176.6174.4-103000112.6L24 A28 D199 F201 F205 L206 A207 F232 C233 I236 L237 F241L24-F203 HydrophobicContact CB-CE1 4.49Å; L24-F203 HydrophobicContact CD2-CE1 4.16Å; A28-F203 HydrophobicContact CB-CD1 3.73Å; A28-F203 HydrophobicContact CB-CE1 4.26Å; D199-F203 WeakPolarHBondContact O-CB 3.47Å; D199-F203 PolarHBondContact O-N 3.37Å; F201-F203 VanDerWaalsContact C-N 3.32Å; F201-F203 PolarHBondContact O-N 3.49Å; F203-F205 PolarHBondContact O-N 2.91Å; F203-L206 PolarHBondContact O-N 2.91Å; F203-A207 HydrophobicContact CD2-CB 3.89Å; F203-A207 HydrophobicContact CE1-CB 4.44Å; F203-A207 HydrophobicContact CE2-CB 3.57Å; F203-A207 HydrophobicContact CG-CB 4.43Å; F203-A207 HydrophobicContact CZ-CB 3.88Å; F203-A207 WeakPolarHBondContact O-CB 3.44Å; F203-A207 PolarHBondContact O-N 3.29Å; F203-F232 HydrophobicContact CB-CE1 4.09Å; F203-F232 HydrophobicContact CB-CZ 4.43Å; F203-C233 HydrophobicContact CD2-CB 4.47Å; F203-I236 HydrophobicContact CB-CD1 3.85Å; F203-I236 HydrophobicContact CD1-CG2 4.21Å; F203-I236 HydrophobicContact CD2-CB 3.88Å; F203-I236 HydrophobicContact CD2-CD1 4.01Å; F203-I236 HydrophobicContact CD2-CG2 3.64Å; F203-I236 HydrophobicContact CE1-CG2 4.26Å; F203-I236 HydrophobicContact CE2-CB 4.06Å; F203-I236 HydrophobicContact CE2-CG2 3.72Å; F203-I236 HydrophobicContact CG-CB 4.49Å; F203-I236 HydrophobicContact CG-CD1 4.13Å; F203-I236 HydrophobicContact CG-CG2 3.89Å; F203-I236 HydrophobicContact CZ-CG2 4.03Å; F203-L237 HydrophobicContact CE2-CD2 4.16Å; F203-L237 HydrophobicContact CE2-CG 3.91Å; F203-L237 HydrophobicContact CZ-CD2 3.72Å; F203-L237 HydrophobicContact CZ-CG 4.01Å; F203-F241 HydrophobicContact CE1-CE2 4.21Å; F203-F241 HydrophobicContact CZ-CE2 4.44Å
204G98.1Very high97Very high0 Ų014.5 Ų14.50%08%0.078CC..Hα-helixtrans-62.3-29.5-177.700000113.8T21 A200 F201 A202 P208T21-G204 WeakPolarHBondContact CA-O 3.5Å; T21-G204 WeakPolarHBondContact CG2-O 3.27Å; T21-G204 PolarHBondContact OG1-O 2.91Å; A200-G204 PolarHBondContact O-N 3.5Å; F201-G204 PolarHBondContact O-N 2.94Å; A202-G204 PolarHBondContact O-N 2.91Å; G204-P208 WeakPolarHBondContact O-CD 3.14Å; G204-P208 WeakPolarHBondContact O-CG 3.3Å
205F98.4Very high96.9Very high0 Ų015.7 Ų15.70%09%0.09CC..Hα-helixtrans-83.6-44.1176.7-81.9-118.2000112.6T21 V25 L99 L103 R104 L107 F201 A202 F203T21-F205 HydrophobicContact CG2-CD1 4.47Å; T21-F205 HydrophobicContact CG2-CD2 3.48Å; T21-F205 VanDerWaalsContact CG2-CD2 3.48Å; T21-F205 HydrophobicContact CG2-CE2 3.72Å; T21-F205 HydrophobicContact CG2-CG 3.92Å; T21-F205 HydrophobicContact CG2-CZ 4.34Å; V25-F205 HydrophobicContact CG2-CD2 4.46Å; L99-F205 HydrophobicContact CB-CD1 4.31Å; L99-F205 HydrophobicContact CB-CE1 4.11Å; L99-F205 HydrophobicContact CB-CZ 4.28Å; L99-F205 HydrophobicContact CD2-CB 4.26Å; L99-F205 HydrophobicContact CD2-CD1 4.29Å; L99-F205 HydrophobicContact CD2-CG 4.29Å; L99-F205 WeakPolarHBondContact O-CE1 3.49Å; L103-F205 HydrophobicContact CB-CD1 4.26Å; L103-F205 HydrophobicContact CD2-CB 3.88Å; L103-F205 HydrophobicContact CD2-CD1 4.02Å; L103-F205 HydrophobicContact CD2-CG 4.44Å; L103-F205 HydrophobicContact CG-CD1 4.08Å; R104-F205 HydrophobicContact CB-CE1 3.74Å; R104-F205 HydrophobicContact CB-CZ 4.4Å; R104-F205 HydrophobicContact CG-CE1 4.22Å; R104-F205 VanDerWaalsContact CZ-CZ 3.5Å; L107-F205 HydrophobicContact CD1-CB 3.98Å; L107-F205 HydrophobicContact CD1-CD1 3.6Å; L107-F205 HydrophobicContact CD1-CE1 4.48Å; L107-F205 HydrophobicContact CD1-CG 4.07Å; L107-F205 WeakPolarHBondContact CD1-O 3.43Å; F201-F205 HydrophobicContact CD1-CE2 4.03Å; F201-F205 WeakPolarHBondContact O-CD2 3.23Å; F201-F205 PolarHBondContact O-N 3.46Å; F201-F205 VanDerWaalsContact O-N 3.13Å; A202-F205 PolarHBondContact O-N 2.99Å; F203-F205 PolarHBondContact O-N 2.91Å
206L98.5Very high96.3Very high0 Ų016.1 Ų16.10%09%0.093CC..Hα-helixtrans-77.1-39.1-174.1-64.4173.2000112.2L103 L177 A202 F203 L209 H210 L223 L229 F232 C233L103-L206 HydrophobicContact CD2-CD2 4.19Å; L177-L206 HydrophobicContact CD2-CD2 3.3Å; A202-L206 HydrophobicContact CB-CD1 4.35Å; A202-L206 VanDerWaalsContact O-CB 3.26Å; A202-L206 WeakPolarHBondContact O-CB 3.43Å; A202-L206 WeakPolarHBondContact O-CG 3.48Å; A202-L206 PolarHBondContact O-N 3.23Å; F203-L206 PolarHBondContact O-N 2.91Å; L206-L209 PolarHBondContact O-N 3.13Å; L206-H210 VanDerWaalsContact O-CB 3.31Å; L206-H210 WeakPolarHBondContact O-CB 3.44Å; L206-H210 PolarHBondContact O-N 3.37Å; L206-L223 HydrophobicContact CD2-CD1 3.91Å; L206-L223 HydrophobicContact CD2-CD2 4.41Å; L206-L229 HydrophobicContact CD1-CB 4.36Å; L206-L229 HydrophobicContact CD1-CD1 4.43Å; L206-L229 HydrophobicContact CD1-CD2 4.16Å; L206-L229 HydrophobicContact CD2-CD1 4.47Å; L206-F232 HydrophobicContact CD1-CD1 4.36Å; L206-F232 HydrophobicContact CD1-CE1 4.45Å; L206-C233 VanDerWaalsContact CB-SG 3.55Å
207A98.1Very high95.7Very high0 Ų017.4 Ų17.40%010%0.102CC..Hα-helixtrans-65-44.6-170.600000113.8L16 L24 F203 L209 H210 K211L16-A207 HydrophobicContact CD2-CB 3.81Å; L24-A207 HydrophobicContact CD1-CB 4.39Å; F203-A207 HydrophobicContact CD2-CB 3.89Å; F203-A207 HydrophobicContact CE1-CB 4.44Å; F203-A207 HydrophobicContact CE2-CB 3.57Å; F203-A207 HydrophobicContact CG-CB 4.43Å; F203-A207 HydrophobicContact CZ-CB 3.88Å; F203-A207 WeakPolarHBondContact O-CB 3.44Å; F203-A207 PolarHBondContact O-N 3.29Å; A207-L209 VanDerWaalsContact C-N 3.34Å; A207-L209 PolarHBondContact O-N 3.06Å; A207-H210 PolarHBondContact O-N 2.91Å; A207-K211 WeakPolarHBondContact O-CB 3.48Å; A207-K211 WeakPolarHBondContact O-CG 3.38Å; A207-K211 PolarHBondContact O-N 2.84Å
208P97.2Very high95.5Very high1 Ų120.2 Ų20.21%0.00612%0.12CC..Hα-helixtrans-57.6-46.5173.2-26.536.9000112.1L16 L24 F111 G204 H210 K211 A212L16-P208 HydrophobicContact CD1-CB 4.47Å; L16-P208 HydrophobicContact CD1-CG 4.35Å; L24-P208 HydrophobicContact CD1-CG 3.52Å; F111-P208 HydrophobicContact CE2-CB 4.37Å; F111-P208 HydrophobicContact CZ-CB 4.1Å; G204-P208 WeakPolarHBondContact O-CD 3.14Å; G204-P208 WeakPolarHBondContact O-CG 3.3Å; P208-H210 VanDerWaalsContact C-N 3.32Å; P208-H210 PolarHBondContact O-N 3.06Å; P208-K211 PolarHBondContact O-N 3.37Å; P208-A212 WeakPolarHBondContact O-CB 3.23Å; P208-A212 PolarHBondContact O-N 3.03Å
209L97.3Very high95.4Very high0 Ų020.2 Ų20.20%012%0.121CC..Hα-helixtrans-64.2-37.5179-179.464000111.9L107 L206 A207 L214 L219 Q220 L223L107-L209 HydrophobicContact CD2-CB 3.77Å; L107-L209 HydrophobicContact CD2-CD1 4.26Å; L107-L209 HydrophobicContact CD2-CD2 3.92Å; L107-L209 HydrophobicContact CD2-CG 4.2Å; L206-L209 PolarHBondContact O-N 3.13Å; A207-L209 VanDerWaalsContact C-N 3.34Å; A207-L209 PolarHBondContact O-N 3.06Å; L209-L214 HydrophobicContact CD1-CD1 4.01Å; L209-L219 HydrophobicContact CD1-CB 4.5Å; L209-L219 HydrophobicContact CD1-CD2 4.33Å; L209-L219 HydrophobicContact CD1-CG 4.4Å; L209-L219 HydrophobicContact CD2-CD2 3.77Å; L209-L219 HydrophobicContact CD2-CG 3.69Å; L209-Q220 HydrophobicContact CD1-CB 3.84Å; L209-Q220 HydrophobicContact CG-CB 4.34Å; L209-Q220 WeakPolarHBondContact O-CG 3.43Å; L209-Q220 PolarHBondContact O-NE2 3.47Å; L209-L223 HydrophobicContact CB-CD2 4.16Å; L209-L223 HydrophobicContact CD2-CB 4.33Å; L209-L223 HydrophobicContact CD2-CD2 3.8Å; L209-L223 HydrophobicContact CG-CD2 3.89Å
210H97.3Very high95.3Very high28 Ų2820.3 Ų20.313%0.1312%0.121CC..Hα-helixtrans-70.8-40179.5175.951.7000112.6L206 A207 P208 L223 D234L206-H210 VanDerWaalsContact O-CB 3.31Å; L206-H210 WeakPolarHBondContact O-CB 3.44Å; L206-H210 PolarHBondContact O-N 3.37Å; A207-H210 PolarHBondContact O-N 2.91Å; P208-H210 VanDerWaalsContact C-N 3.32Å; P208-H210 PolarHBondContact O-N 3.06Å; H210-L223 HydrophobicContact CB-CD2 3.94Å; H210-D234 IonicContact NE2-OD1 3.74Å; H210-D234 IonicContact NE2-OD2 2.66Å
211K96.9Very high95.3Very high64 Ų6422.7 Ų22.728%0.27814%0.137SC..Hα-helixtrans-96.6-23.1-170.8-65.3-54.6-171.3-162.10115.8W14 L16 A207 P208 D234W14-K211 HydrophobicContact CB-CB 4.15Å; W14-K211 WeakPolarHBondContact O-CB 3.31Å; L16-K211 HydrophobicContact CD1-CB 4.09Å; L16-K211 HydrophobicContact CD1-CG 4.41Å; L16-K211 HydrophobicContact CD2-CB 4.33Å; L16-K211 HydrophobicContact CD2-CG 3.77Å; L16-K211 HydrophobicContact CG-CB 4.13Å; L16-K211 HydrophobicContact CG-CG 4.1Å; A207-K211 WeakPolarHBondContact O-CB 3.48Å; A207-K211 WeakPolarHBondContact O-CG 3.38Å; A207-K211 PolarHBondContact O-N 2.84Å; P208-K211 PolarHBondContact O-N 3.37Å; K211-D234 WeakPolarHBondContact CE-OD1 3.43Å; K211-D234 IonicContact NZ-OD1 2.82Å; K211-D234 PolarHBondContact NZ-OD1 3.32Å; K211-D234 IonicContact NZ-OD2 2.7Å
212A96.1Very high95.2Very high1 Ų124 Ų241%0.00814%0.144CC..SBendtrans-63141.1179.400000112.1W14 F111 L121 P208 L214 Q220W14-A212 HydrophobicContact CD2-CB 4.25Å; W14-A212 HydrophobicContact CE3-CB 3.77Å; W14-A212 HydrophobicContact CH2-CB 4.28Å; W14-A212 HydrophobicContact CZ3-CB 3.78Å; F111-A212 HydrophobicContact CE1-CB 3.69Å; F111-A212 HydrophobicContact CZ-CB 3.89Å; L121-A212 HydrophobicContact CD2-CB 3.81Å; P208-A212 WeakPolarHBondContact O-CB 3.23Å; P208-A212 PolarHBondContact O-N 3.03Å; A212-L214 HydrophobicContact CB-CD1 4.32Å; A212-L214 HydrophobicContact CB-CD2 4.13Å; A212-L214 HydrophobicContact CB-CG 3.87Å; A212-L214 PolarHBondContact O-N 3.31Å; A212-Q220 PolarHBondContact O-NE2 3Å
213D95.2Very high95.2Very high135 Ų13524 Ų2472%0.72214%0.144SC*.  trans-86.984.5172.3-167.922.5000109.7
214L93.5Very high95.1Very high11 Ų1130 Ų306%0.05817%0.166CC..  trans-92.4133.1-174.5-63.5169.5000110.7T110 F111 N117 L121 L209 A212 Q220T110-L214 HydrophobicContact CG2-CD1 3.83Å; T110-L214 HydrophobicContact CG2-CD2 4.48Å; F111-L214 HydrophobicContact CD1-CD2 4.2Å; F111-L214 HydrophobicContact CE1-CD2 3.88Å; F111-L214 HydrophobicContact CZ-CD1 4.41Å; F111-L214 HydrophobicContact CZ-CD2 4.44Å; N117-L214 HydrophobicContact CB-CD2 4.05Å; L121-L214 HydrophobicContact CD2-CD2 3.66Å; L121-L214 HydrophobicContact CD2-CG 4.43Å; L209-L214 HydrophobicContact CD1-CD1 4.01Å; A212-L214 HydrophobicContact CB-CD1 4.32Å; A212-L214 HydrophobicContact CB-CD2 4.13Å; A212-L214 HydrophobicContact CB-CG 3.87Å; A212-L214 PolarHBondContact O-N 3.31Å; L214-Q220 HydrophobicContact CD1-CB 4.24Å
215A86.7Confident95.1Very high62 Ų6236.8 Ų36.851%0.51220%0.198SC..SBendtrans-75-47.1176.500000111.6E116 N117E116-A215 HydrophobicContact CB-CB 4.24Å; N117-A215 PolarHBondContact OD1-N 2.92Å
216S84.1Confident95.1Very high28 Ų2837.9 Ų37.920%0.19620%0.204CC..SBendtrans-98.2110.7173168.90000109D114 N117 P218D114-S216 VanDerWaalsContact OD2-CB 3.31Å; D114-S216 WeakPolarHBondContact OD2-CB 3.26Å; D114-S216 PolarHBondContact OD2-OG 3.49Å; N117-S216 PolarHBondContact ND2-O 2.86Å; N117-S216 PolarHBondContact OD1-N 3.05Å; N117-S216 PolarHBondContact OD1-O 2.99Å; S216-P218 VanDerWaalsContact C-CD 3.48Å
217S85.4Confident95.1Very high30 Ų3042.8 Ų42.821%0.2123%0.23CC..  trans-126.130.4-163.381.10000116.9L219 Q220 S221S217-L219 VanDerWaalsContact C-N 3.32Å; S217-L219 PolarHBondContact O-N 3.09Å; S217-Q220 PolarHBondContact O-N 2.8Å; S217-S221 WeakPolarHBondContact O-CB 3.46Å; S217-S221 PolarHBondContact O-N 2.95Å; S217-S221 PolarHBondContact O-OG 3.37Å; S217-S221 PolarHBondContact OG-OG 3.43Å
218P92.4Very high95.1Very high60 Ų6044 Ų4439%0.3924%0.236SC..Hα-helixtrans-60.3-38-172.822.8-31.8000113.7S216 H222S216-P218 VanDerWaalsContact C-CD 3.48Å; P218-H222 PolarHBondContact O-N 3.19Å
219L95.8Very high95.1Very high1 Ų143.9 Ų43.91%0.00524%0.236CC..Hα-helixtrans-76.7-40.1176.7-173.864.1000112.3L103 A106 L107 Y170 A173 K174 L177 L209 S217 S221 H222 L223L103-L219 HydrophobicContact CD1-CD2 4.26Å; A106-L219 HydrophobicContact CB-CD2 3.84Å; L107-L219 HydrophobicContact CD2-CD2 4.4Å; Y170-L219 HydrophobicContact CD1-CB 3.88Å; Y170-L219 HydrophobicContact CD1-CD1 4.47Å; Y170-L219 HydrophobicContact CD1-CD2 4.42Å; Y170-L219 HydrophobicContact CD1-CG 4.48Å; Y170-L219 HydrophobicContact CE1-CB 3.76Å; Y170-L219 HydrophobicContact CE1-CD2 4.28Å; A173-L219 HydrophobicContact CB-CD1 3.78Å; A173-L219 HydrophobicContact CB-CD2 4.39Å; K174-L219 HydrophobicContact CG-CD1 4.22Å; L177-L219 HydrophobicContact CD1-CD1 3.83Å; L209-L219 HydrophobicContact CD1-CB 4.5Å; L209-L219 HydrophobicContact CD1-CD2 4.33Å; L209-L219 HydrophobicContact CD1-CG 4.4Å; L209-L219 HydrophobicContact CD2-CD2 3.77Å; L209-L219 HydrophobicContact CD2-CG 3.69Å; S217-L219 VanDerWaalsContact C-N 3.32Å; S217-L219 PolarHBondContact O-N 3.09Å; L219-S221 VanDerWaalsContact C-N 3.35Å; L219-H222 PolarHBondContact O-N 2.98Å; L219-L223 PolarHBondContact O-N 3.35Å
220Q96.7Very high95.2Very high2 Ų244.8 Ų44.81%0.00924%0.241CC..Hα-helixtrans-65.1-39.9177.6179-178.265.500111.4L209 A212 L214 S217 H222 L223 R224L209-Q220 HydrophobicContact CD1-CB 3.84Å; L209-Q220 HydrophobicContact CG-CB 4.34Å; L209-Q220 WeakPolarHBondContact O-CG 3.43Å; L209-Q220 PolarHBondContact O-NE2 3.47Å; A212-Q220 PolarHBondContact O-NE2 3Å; L214-Q220 HydrophobicContact CD1-CB 4.24Å; S217-Q220 PolarHBondContact O-N 2.8Å; Q220-H222 VanDerWaalsContact C-N 3.3Å; Q220-H222 PolarHBondContact O-N 3.04Å; Q220-L223 PolarHBondContact O-N 2.95Å; Q220-R224 WeakPolarHBondContact O-CG 3.14Å; Q220-R224 PolarHBondContact O-N 3.37Å
221S96.9Very high95.2Very high49 Ų4949.8 Ų49.834%0.34326%0.259SS..Hα-helixtrans-60.9-39.5175.1-63.90000111.7S217 L219 R224 Q225S217-S221 WeakPolarHBondContact O-CB 3.46Å; S217-S221 PolarHBondContact O-N 2.95Å; S217-S221 PolarHBondContact O-OG 3.37Å; S217-S221 PolarHBondContact OG-OG 3.43Å; L219-S221 VanDerWaalsContact C-N 3.35Å; S221-R224 PolarHBondContact O-N 2.8Å; S221-Q225 PolarHBondContact O-N 3.44Å
222H98.1Very high95.3Very high32 Ų3246.9 Ų46.915%0.14825%0.246CC..Hα-helixtrans-65.2-45.5173.5-169.183.4000111.8K174 N178 P218 L219 Q220 R224 Q225K174-H222 HydrophobicContact CD-CB 4.42Å; K174-H222 HydrophobicContact CG-CB 4.14Å; N178-H222 PolarHBondContact OD1-NE2 2.62Å; P218-H222 PolarHBondContact O-N 3.19Å; L219-H222 PolarHBondContact O-N 2.98Å; Q220-H222 VanDerWaalsContact C-N 3.3Å; Q220-H222 PolarHBondContact O-N 3.04Å; H222-R224 VanDerWaalsContact C-N 3.27Å; H222-R224 PolarHBondContact O-N 2.85Å; H222-Q225 WeakPolarHBondContact O-CB 3.12Å; H222-Q225 PolarHBondContact O-N 2.89Å; H222-Q225 VanDerWaalsContact O-N 3.09Å
223L98.1Very high95.3Very high1 Ų146.9 Ų46.91%0.00525%0.246CC..Hα-helixtrans-59-38.4176.4177.960.2000112.1L177 L206 L209 H210 L219 Q220 Q225 L226 L229 T230L177-L223 HydrophobicContact CD1-CB 4.18Å; L177-L223 HydrophobicContact CD2-CD1 4.18Å; L206-L223 HydrophobicContact CD2-CD1 3.91Å; L206-L223 HydrophobicContact CD2-CD2 4.41Å; L209-L223 HydrophobicContact CB-CD2 4.16Å; L209-L223 HydrophobicContact CD2-CB 4.33Å; L209-L223 HydrophobicContact CD2-CD2 3.8Å; L209-L223 HydrophobicContact CG-CD2 3.89Å; H210-L223 HydrophobicContact CB-CD2 3.94Å; L219-L223 PolarHBondContact O-N 3.35Å; Q220-L223 PolarHBondContact O-N 2.95Å; L223-Q225 PolarHBondContact O-N 3.23Å; L223-L226 WeakPolarHBondContact O-CB 3.11Å; L223-L226 PolarHBondContact O-N 2.86Å; L223-L229 HydrophobicContact CD1-CB 3.9Å; L223-L229 HydrophobicContact CD1-CD1 4Å; L223-T230 HydrophobicContact CG-CG2 4.5Å
224R96.6Very high95.4Very high125 Ų12543.4 Ų43.447%0.47223%0.228SC..Hα-helixtrans-65.7-19.9177.8-74.2175.9-177.6168.13.5113.8Q220 S221 H222 L226Q220-R224 WeakPolarHBondContact O-CG 3.14Å; Q220-R224 PolarHBondContact O-N 3.37Å; S221-R224 PolarHBondContact O-N 2.8Å; H222-R224 VanDerWaalsContact C-N 3.27Å; H222-R224 PolarHBondContact O-N 2.85Å; R224-L226 VanDerWaalsContact C-N 3.28Å
225Q97.8Very high95.6Very high142 Ų14245.8 Ų45.866%0.66424%0.24SC*.THydrogen-bonded Turntrans-80.1-12.5173.3-65.1171.7-4.800112.4S221 H222 L223 D227S221-Q225 PolarHBondContact O-N 3.44Å; H222-Q225 WeakPolarHBondContact O-CB 3.12Å; H222-Q225 PolarHBondContact O-N 2.89Å; H222-Q225 VanDerWaalsContact O-N 3.09Å; L223-Q225 PolarHBondContact O-N 3.23Å; Q225-D227 PolarHBondContact O-N 2.9Å
226L98.3Very high96.1Very high23 Ų2342.8 Ų42.812%0.1222%0.216CC..  trans-100.876.9179.8-57.5174.2000109.5L177 L223 R224 N228 L229 T230L177-L226 HydrophobicContact CB-CD1 3.71Å; L223-L226 WeakPolarHBondContact O-CB 3.11Å; L223-L226 PolarHBondContact O-N 2.86Å; R224-L226 VanDerWaalsContact C-N 3.28Å; L226-N228 PolarHBondContact O-N 2.63Å; L226-N228 VanDerWaalsContact O-N 3.09Å; L226-L229 HydrophobicContact CB-CB 4.36Å; L226-L229 HydrophobicContact CB-CD1 4.2Å; L226-L229 HydrophobicContact CB-CG 4.3Å; L226-L229 HydrophobicContact CD1-CD1 3.87Å; L226-L229 PolarHBondContact O-N 3.02Å; L226-T230 PolarHBondContact O-N 2.99Å
227D97.9Very high96.6Very high103 Ų10342.3 Ų42.355%0.55121%0.211SC*.Hα-helixtrans-56-29.6-173-70.5-28.1000114.4Q225 T230 R231Q225-D227 PolarHBondContact O-N 2.9Å; D227-T230 WeakPolarHBondContact CA-OG1 3.4Å; D227-T230 PolarHBondContact O-OG1 3.22Å; D227-R231 WeakPolarHBondContact O-CB 3.5Å; D227-R231 PolarHBondContact O-N 2.75Å
228N98.1Very high97.1Very high25 Ų2543.2 Ų43.213%0.13422%0.22CC..Hα-helixtrans-70.4-36.9178.262.9-22.2000112.2S181 L184 G185 L226 F232S181-N228 PolarHBondContact O-ND2 3Å; S181-N228 VanDerWaalsContact OG-CG 3.3Å; S181-N228 PolarHBondContact OG-ND2 3.26Å; S181-N228 VanDerWaalsContact OG-ND2 3.12Å; S181-N228 PolarHBondContact OG-OD1 3.08Å; L184-N228 HydrophobicContact CD2-CB 4.34Å; G185-N228 WeakPolarHBondContact O-CB 3.33Å; G185-N228 PolarHBondContact O-ND2 2.68Å; L226-N228 PolarHBondContact O-N 2.63Å; L226-N228 VanDerWaalsContact O-N 3.09Å; N228-F232 VanDerWaalsContact O-CB 3.24Å; N228-F232 WeakPolarHBondContact O-CB 3.17Å; N228-F232 PolarHBondContact O-N 2.77Å
229L98.4Very high97.2Very high0 Ų042.1 Ų42.10%022%0.216CC..Hα-helixtrans-73.6-36.5177.5-65.7-174000112.5L177 L180 L184 L206 L223 L226 F232 C233L177-L229 HydrophobicContact CD2-CD1 4.34Å; L180-L229 HydrophobicContact CB-CD1 4.36Å; L180-L229 HydrophobicContact CB-CD2 4.28Å; L184-L229 HydrophobicContact CB-CD2 4.47Å; L184-L229 HydrophobicContact CD2-CD2 3.84Å; L206-L229 HydrophobicContact CD1-CB 4.36Å; L206-L229 HydrophobicContact CD1-CD1 4.43Å; L206-L229 HydrophobicContact CD1-CD2 4.16Å; L206-L229 HydrophobicContact CD2-CD1 4.47Å; L223-L229 HydrophobicContact CD1-CB 3.9Å; L223-L229 HydrophobicContact CD1-CD1 4Å; L226-L229 HydrophobicContact CB-CB 4.36Å; L226-L229 HydrophobicContact CB-CD1 4.2Å; L226-L229 HydrophobicContact CB-CG 4.3Å; L226-L229 HydrophobicContact CD1-CD1 3.87Å; L226-L229 PolarHBondContact O-N 3.02Å; L229-F232 WeakPolarHBondContact O-CB 3.45Å; L229-F232 PolarHBondContact O-N 2.94Å; L229-C233 PolarHBondContact O-N 2.93Å; L229-C233 PolarHBondContact O-SG 3.06Å
230T97.9Very high97.1Very high18 Ų1844.2 Ų44.211%0.1123%0.226CC..Hα-helixtrans-67-47.1174.856.40000110.5L223 L226 D227 F232 C233 D234L223-T230 HydrophobicContact CG-CG2 4.5Å; L226-T230 PolarHBondContact O-N 2.99Å; D227-T230 WeakPolarHBondContact CA-OG1 3.4Å; D227-T230 PolarHBondContact O-OG1 3.22Å; T230-F232 VanDerWaalsContact C-N 3.31Å; T230-F232 PolarHBondContact O-N 3.42Å; T230-C233 WeakPolarHBondContact O-CB 3.39Å; T230-C233 PolarHBondContact O-N 2.88Å; T230-C233 VanDerWaalsContact O-N 3.12Å; T230-D234 PolarHBondContact O-N 3.03Å
231R97.9Very high96.9Very high134 Ų13446.2 Ų46.251%0.50623%0.234SC..Hα-helixtrans-57.9-42173.6-171.9-171.1-51.5146.88112.3D227 C233 D234 N235D227-R231 WeakPolarHBondContact O-CB 3.5Å; D227-R231 PolarHBondContact O-N 2.75Å; R231-C233 VanDerWaalsContact C-N 3.33Å; R231-C233 PolarHBondContact O-N 3.41Å; R231-D234 PolarHBondContact O-N 2.99Å; R231-N235 VanDerWaalsContact O-CB 3.31Å; R231-N235 WeakPolarHBondContact O-CB 3.31Å; R231-N235 PolarHBondContact O-N 3Å; R231-N235 PolarHBondContact O-OD1 2.92Å
232F98.3Very high96.5Very high3 Ų346.5 Ų46.51%0.01324%0.236CC..Hα-helixtrans-55.2-47174.4165-95.8000112L184 D188 Y189 F190 D199 A202 F203 L206 N228 L229 T230 D234 N235 I236L184-F232 HydrophobicContact CD1-CD2 4.11Å; L184-F232 HydrophobicContact CD2-CB 3.73Å; L184-F232 HydrophobicContact CD2-CD2 4.24Å; L184-F232 HydrophobicContact CD2-CG 4.13Å; D188-F232 WeakPolarHBondContact O-CD2 3.49Å; Y189-F232 HydrophobicContact CD1-CE2 4.43Å; F190-F232 HydrophobicContact CD2-CE2 4.27Å; F190-F232 HydrophobicContact CD2-CZ 4.34Å; F190-F232 HydrophobicContact CE2-CE1 4.44Å; F190-F232 HydrophobicContact CE2-CE2 4.18Å; F190-F232 AromaticContact CE2-CZ 4Å; F190-F232 HydrophobicContact CE2-CZ 4Å; D199-F232 HydrophobicContact CB-CE2 4.18Å; D199-F232 HydrophobicContact CB-CZ 4.03Å; D199-F232 WeakPolarHBondContact OD1-CE2 3.33Å; A202-F232 HydrophobicContact CB-CE1 4.04Å; A202-F232 HydrophobicContact CB-CZ 4.16Å; F203-F232 HydrophobicContact CB-CE1 4.09Å; F203-F232 HydrophobicContact CB-CZ 4.43Å; L206-F232 HydrophobicContact CD1-CD1 4.36Å; L206-F232 HydrophobicContact CD1-CE1 4.45Å; N228-F232 VanDerWaalsContact O-CB 3.24Å; N228-F232 WeakPolarHBondContact O-CB 3.17Å; N228-F232 PolarHBondContact O-N 2.77Å; L229-F232 WeakPolarHBondContact O-CB 3.45Å; L229-F232 PolarHBondContact O-N 2.94Å; T230-F232 VanDerWaalsContact C-N 3.31Å; T230-F232 PolarHBondContact O-N 3.42Å; F232-D234 PolarHBondContact O-N 3.27Å; F232-N235 PolarHBondContact O-N 3.09Å; F232-I236 HydrophobicContact CD1-CD1 4.24Å; F232-I236 HydrophobicContact CD2-CD1 4.07Å; F232-I236 HydrophobicContact CE1-CD1 3.67Å; F232-I236 HydrophobicContact CE2-CD1 3.48Å; F232-I236 VanDerWaalsContact CE2-CD1 3.48Å; F232-I236 HydrophobicContact CE2-CG1 4.47Å; F232-I236 HydrophobicContact CG-CD1 4.41Å; F232-I236 HydrophobicContact CZ-CD1 3.25Å; F232-I236 WeakPolarHBondContact O-CG1 3.34Å; F232-I236 PolarHBondContact O-N 3.3Å; F232-I236 VanDerWaalsContact O-N 3.1Å
233C97.9Very high94.9Very high1 Ų150.8 Ų50.81%0.00727%0.267CS..Hα-helixtrans-62.8-44.5177.4-64.60000112F203 L206 L229 T230 R231 I236 L237F203-C233 HydrophobicContact CD2-CB 4.47Å; L206-C233 VanDerWaalsContact CB-SG 3.55Å; L229-C233 PolarHBondContact O-N 2.93Å; L229-C233 PolarHBondContact O-SG 3.06Å; T230-C233 WeakPolarHBondContact O-CB 3.39Å; T230-C233 PolarHBondContact O-N 2.88Å; T230-C233 VanDerWaalsContact O-N 3.12Å; R231-C233 VanDerWaalsContact C-N 3.33Å; R231-C233 PolarHBondContact O-N 3.41Å; C233-I236 PolarHBondContact O-N 2.91Å; C233-L237 WeakPolarHBondContact O-CG 3.48Å; C233-L237 PolarHBondContact O-N 2.68Å; C233-L237 VanDerWaalsContact O-N 3.1Å
234D97.3Very high92.5Very high62 Ų6257.7 Ų57.733%0.33230%0.304SS..Hα-helixtrans-64.6-42.3179.5-72.5-24.5000112.4H210 K211 T230 R231 F232 I236 L237 A238H210-D234 IonicContact NE2-OD1 3.74Å; H210-D234 IonicContact NE2-OD2 2.66Å; K211-D234 WeakPolarHBondContact CE-OD1 3.43Å; K211-D234 IonicContact NZ-OD1 2.82Å; K211-D234 PolarHBondContact NZ-OD1 3.32Å; K211-D234 IonicContact NZ-OD2 2.7Å; T230-D234 PolarHBondContact O-N 3.03Å; R231-D234 PolarHBondContact O-N 2.99Å; F232-D234 PolarHBondContact O-N 3.27Å; D234-I236 PolarHBondContact O-N 2.93Å; D234-L237 PolarHBondContact O-N 2.9Å; D234-A238 WeakPolarHBondContact O-CB 3.37Å; D234-A238 PolarHBondContact O-N 3.19Å
235N96.3Very high89.8Confident60 Ų6058 Ų5832%0.32131%0.309SS..Hα-helixtrans-61.3-43.7177-75.4-2.9000111.1D188 R231 F232 A238 A239D188-N235 PolarHBondContact OD1-ND2 2.86Å; R231-N235 VanDerWaalsContact O-CB 3.31Å; R231-N235 WeakPolarHBondContact O-CB 3.31Å; R231-N235 PolarHBondContact O-N 3Å; R231-N235 PolarHBondContact O-OD1 2.92Å; F232-N235 PolarHBondContact O-N 3.09Å; N235-A238 PolarHBondContact O-N 2.72Å; N235-A239 WeakPolarHBondContact O-CB 3.45Å; N235-A239 PolarHBondContact O-N 2.98Å
236I96.9Very high86.9Confident0 Ų056.5 Ų56.50%031%0.311CS..Hα-helixtrans-63.3-44177-72.9171.7000111.3F32 Y189 F203 F232 C233 D234 A239 H240 F241F32-I236 HydrophobicContact CE1-CG2 4.21Å; F32-I236 HydrophobicContact CZ-CD1 4.09Å; F32-I236 HydrophobicContact CZ-CG1 4.34Å; F32-I236 HydrophobicContact CZ-CG2 4.06Å; Y189-I236 HydrophobicContact CE1-CG1 4.25Å; F203-I236 HydrophobicContact CB-CD1 3.85Å; F203-I236 HydrophobicContact CD1-CG2 4.21Å; F203-I236 HydrophobicContact CD2-CB 3.88Å; F203-I236 HydrophobicContact CD2-CD1 4.01Å; F203-I236 HydrophobicContact CD2-CG2 3.64Å; F203-I236 HydrophobicContact CE1-CG2 4.26Å; F203-I236 HydrophobicContact CE2-CB 4.06Å; F203-I236 HydrophobicContact CE2-CG2 3.72Å; F203-I236 HydrophobicContact CG-CB 4.49Å; F203-I236 HydrophobicContact CG-CD1 4.13Å; F203-I236 HydrophobicContact CG-CG2 3.89Å; F203-I236 HydrophobicContact CZ-CG2 4.03Å; F232-I236 HydrophobicContact CD1-CD1 4.24Å; F232-I236 HydrophobicContact CD2-CD1 4.07Å; F232-I236 HydrophobicContact CE1-CD1 3.67Å; F232-I236 HydrophobicContact CE2-CD1 3.48Å; F232-I236 VanDerWaalsContact CE2-CD1 3.48Å; F232-I236 HydrophobicContact CE2-CG1 4.47Å; F232-I236 HydrophobicContact CG-CD1 4.41Å; F232-I236 HydrophobicContact CZ-CD1 3.25Å; F232-I236 WeakPolarHBondContact O-CG1 3.34Å; F232-I236 PolarHBondContact O-N 3.3Å; F232-I236 VanDerWaalsContact O-N 3.1Å; C233-I236 PolarHBondContact O-N 2.91Å; D234-I236 PolarHBondContact O-N 2.93Å; I236-A239 PolarHBondContact O-N 3.48Å; I236-H240 WeakPolarHBondContact O-CB 3.41Å; I236-H240 PolarHBondContact O-N 2.86Å; I236-F241 HydrophobicContact CG2-CD2 4.45Å; I236-F241 HydrophobicContact CG2-CE2 4.19Å
237L96.4Very high84.1Confident18 Ų1865.1 Ų65.19%0.09434%0.342CS..Hα-helixtrans-60.8-47.3176.4-72.7168.8000111.4L16 F203 C233 D234 A239 F241 S242L16-L237 HydrophobicContact CD2-CD1 3.97Å; L16-L237 HydrophobicContact CD2-CD2 4Å; F203-L237 HydrophobicContact CE2-CD2 4.16Å; F203-L237 HydrophobicContact CE2-CG 3.91Å; F203-L237 HydrophobicContact CZ-CD2 3.72Å; F203-L237 HydrophobicContact CZ-CG 4.01Å; C233-L237 WeakPolarHBondContact O-CG 3.48Å; C233-L237 PolarHBondContact O-N 2.68Å; C233-L237 VanDerWaalsContact O-N 3.1Å; D234-L237 PolarHBondContact O-N 2.9Å; L237-A239 VanDerWaalsContact C-N 3.35Å; L237-A239 PolarHBondContact O-N 3.09Å; L237-F241 HydrophobicContact CD2-CB 4.31Å; L237-F241 HydrophobicContact CD2-CD2 4.3Å; L237-F241 CarbonylContact O-C 3.41Å; L237-F241 WeakPolarHBondContact O-CA 3.3Å; L237-F241 PolarHBondContact O-N 3.12Å; L237-S242 PolarHBondContact O-N 3.12Å; L237-S242 VanDerWaalsContact O-N 3.09Å
238A95.1Very high80.9Confident48 Ų4869.8 Ų69.840%0.39736%0.358SS..Hα-helixtrans-64.6-37.7178.100000112.7D234 N235 S242 K245D234-A238 WeakPolarHBondContact O-CB 3.37Å; D234-A238 PolarHBondContact O-N 3.19Å; N235-A238 PolarHBondContact O-N 2.72Å; A238-S242 WeakPolarHBondContact CA-OG 3.33Å; A238-S242 PolarHBondContact O-OG 3.2Å; A238-K245 PolarHBondContact O-NZ 2.93Å
239A94.4Very high78Confident37 Ų3775.3 Ų75.331%0.30639%0.386SS..Hα-helixtrans-75-44.1-177.600000112.5N235 I236 L237N235-A239 WeakPolarHBondContact O-CB 3.45Å; N235-A239 PolarHBondContact O-N 2.98Å; I236-A239 PolarHBondContact O-N 3.48Å; L237-A239 VanDerWaalsContact C-N 3.35Å; L237-A239 PolarHBondContact O-N 3.09Å
240H94.1Very high74.8Confident45 Ų4579.1 Ų79.121%0.20842%0.418CS..Hα-helixtrans-116.8-17.8-164.5-63.1-80.2000115.6K31 F32 I236K31-H240 HydrophobicContact CB-CB 4.01Å; K31-H240 WeakPolarHBondContact CE-O 3.42Å; K31-H240 HydrophobicContact CG-CB 4.21Å; K31-H240 PolarHBondContact NZ-O 3.26Å; F32-H240 AromaticContact CD1-CE1 3.81Å; F32-H240 AromaticContact CD1-NE2 3.83Å; F32-H240 AromaticContact CE1-CD2 3.59Å; F32-H240 AromaticContact CE1-NE2 3.65Å; I236-H240 WeakPolarHBondContact O-CB 3.41Å; I236-H240 PolarHBondContact O-N 2.86Å
241F92.8Very high71.7Confident44 Ų4482.2 Ų82.219%0.19345%0.445CS..THydrogen-bonded Turntrans-126.42.4-171.8-61.6-77.5000114.6P17 L27 A28 K31 F203 I236 L237P17-F241 HydrophobicContact CB-CD1 3.93Å; P17-F241 HydrophobicContact CB-CE1 4.13Å; P17-F241 HydrophobicContact CG-CD1 3.65Å; P17-F241 HydrophobicContact CG-CE1 3.68Å; P17-F241 HydrophobicContact CG-CG 4.1Å; P17-F241 HydrophobicContact CG-CZ 4.16Å; L27-F241 HydrophobicContact CB-CE1 4.34Å; L27-F241 HydrophobicContact CB-CZ 4.34Å; A28-F241 HydrophobicContact CB-CZ 4.47Å; K31-F241 HydrophobicContact CB-CZ 4.49Å; K31-F241 HydrophobicContact CD-CE1 4.47Å; K31-F241 HydrophobicContact CG-CE1 3.77Å; K31-F241 HydrophobicContact CG-CE2 4.42Å; K31-F241 HydrophobicContact CG-CZ 3.71Å; F203-F241 HydrophobicContact CE1-CE2 4.21Å; F203-F241 HydrophobicContact CZ-CE2 4.44Å; I236-F241 HydrophobicContact CG2-CD2 4.45Å; I236-F241 HydrophobicContact CG2-CE2 4.19Å; L237-F241 HydrophobicContact CD2-CB 4.31Å; L237-F241 HydrophobicContact CD2-CD2 4.3Å; L237-F241 CarbonylContact O-C 3.41Å; L237-F241 WeakPolarHBondContact O-CA 3.3Å; L237-F241 PolarHBondContact O-N 3.12Å
242S87Confident68.6Low55 Ų5586.9 Ų86.939%0.38546%0.462SS..  trans-68.2133.3173.9-71.40000112.2L237 A238 D244L237-S242 PolarHBondContact O-N 3.12Å; L237-S242 VanDerWaalsContact O-N 3.09Å; A238-S242 WeakPolarHBondContact CA-OG 3.33Å; A238-S242 PolarHBondContact O-OG 3.2Å; S242-D244 VanDerWaalsContact C-N 3.26Å; S242-D244 PolarHBondContact O-N 3.26Å
243P66Low65.6Low123 Ų12392.4 Ų92.480%0.79950%0.501SS*.THydrogen-bonded Turntrans-68.3-22.3-178.126.5-33.2000113.6
244D46.7Very low62.5Low146 Ų14694.8 Ų94.878%0.78153%0.526SS*.THydrogen-bonded Turntrans-98.68.2-166.9-68.2-29.5000116.2S242 P246S242-D244 VanDerWaalsContact C-N 3.26Å; S242-D244 PolarHBondContact O-N 3.26Å; D244-P246 WeakPolarHBondContact O-CD 3.35Å
245K40.9Very low59.6Low132 Ų132100.1 Ų100.157%0.57455%0.554SS**  trans-85105.5167.9-80.6178.8-177.2162.70108.7A238 R247A238-K245 PolarHBondContact O-NZ 2.93Å; K245-R247 PolarHBondContact O-N 3.41Å; K245-R247 VanDerWaalsContact O-N 3.1Å
246P36.4Very low56.5Low109 Ų109105 Ų10571%0.70858%0.579SS**  trans-51.7127.5153.623.2-30.8000105.5D244 K248D244-P246 WeakPolarHBondContact O-CD 3.35Å; P246-K248 VanDerWaalsContact C-N 3.27Å; P246-K248 PolarHBondContact O-N 3.32Å
247R38.3Very low53.6Low204 Ų204109 Ų10977%0.7761%0.605SS**  trans-47.999.9173.7-79.9175.9172.6152-1.1106.5K245 I249K245-R247 PolarHBondContact O-N 3.41Å; K245-R247 VanDerWaalsContact O-N 3.1Å; R247-I249 HydrophobicContact CB-CG1 4.33Å; R247-I249 PolarHBondContact O-N 3.44Å
248K31Very low50.7Low202 Ų202111.9 Ų111.988%0.87863%0.625SS**  trans-66.379.8152.3-77.8-174.1180179.30103.2P246 A250P246-K248 VanDerWaalsContact C-N 3.27Å; P246-K248 PolarHBondContact O-N 3.32Å; K248-A250 PolarHBondContact O-N 3.25Å
249I37.1Very low48.5Very low140 Ų140114.5 Ų114.572%0.71864%0.635SS**  trans-46.6103.7140.5-60.6171.3000101R247 A251R247-I249 HydrophobicContact CB-CG1 4.33Å; R247-I249 PolarHBondContact O-N 3.44Å; I249-A251 PolarHBondContact O-N 2.94Å
250A32.1Very low46.4Very low81 Ų81119.1 Ų119.167%0.66965%0.651SS**  trans-56.796164.400000103.1K248 R252K248-A250 PolarHBondContact O-N 3.25Å; A250-R252 PolarHBondContact O-N 2.87Å
251A32.6Very low44.2Very low83 Ų83123.2 Ų123.269%0.68667%0.67SS**  trans-64.670.1159.400000105.4I249 S253I249-A251 PolarHBondContact O-N 2.94Å; A251-S253 PolarHBondContact O-N 3.37Å
252R33.8Very low42.4Very low231 Ų231124.2 Ų124.287%0.87268%0.68SS**  trans-76.871.4138-76.2-174.6167.3-177.3-3105A250 G254A250-R252 PolarHBondContact O-N 2.87Å; R252-G254 PolarHBondContact O-N 2.87Å
253S35Very low40.8Very low119 Ų119127.5 Ų127.583%0.83269%0.691SS**  trans-69.770.3146.3-67.40000106.2A251A251-S253 PolarHBondContact O-N 3.37Å
254G32.8Very low40.9Very low51 Ų51125.9 Ų125.953%0.52668%0.675SS.*SBendtrans-115.8117.2153.500000103.4R252 L256R252-G254 PolarHBondContact O-N 2.87Å; G254-L256 PolarHBondContact O-N 3.22Å
255L35.2Very low42.1Very low174 Ų174120.9 Ų120.991%0.91165%0.654SS**  trans-36.8109.8178.6-86.675.5000110.7
256L32.3Very low43.8Very low163 Ų163119 Ų11985%0.85365%0.651SS**PPolyproline II helixtrans-74.7124.4155.7-77.1162.3000105.8G254G254-L256 PolarHBondContact O-N 3.22Å
257P35.5Very low45.7Very low85 Ų85119.1 Ų119.155%0.55264%0.644SS**PPolyproline II helixtrans-62.5152.7177.125.5-31.8000110.1V259P257-V259 PolarHBondContact O-N 3.38Å
258P36.4Very low47.6Very low77 Ų77115.7 Ų115.750%0.564%0.637SS.*PPolyproline II helixtrans-61.3128.1-173.2-516.7000110.1Q260 E261P258-Q260 PolarHBondContact O-N 3.43Å; P258-E261 PolarHBondContact O-N 3.48Å; P258-E261 VanDerWaalsContact O-N 3.13Å
259V48.9Very low50.2Low103 Ų103112.3 Ų112.362%0.62462%0.622SS**Hα-helixtrans-59.4-13.1177.6176.90000112.6P257 T262 M263P257-V259 PolarHBondContact O-N 3.38Å; V259-T262 PolarHBondContact O-OG1 2.93Å; V259-M263 PolarHBondContact O-N 2.82Å
260Q48.6Very low52.3Low134 Ų134110.7 Ų110.763%0.62662%0.615SS**Hα-helixtrans-74.1-40.8175.8-140.567.719.700112.8P258 T262 M263 D264P258-Q260 PolarHBondContact O-N 3.43Å; Q260-T262 VanDerWaalsContact C-N 3.33Å; Q260-T262 PolarHBondContact O-N 3.48Å; Q260-M263 PolarHBondContact O-N 3.3Å; Q260-D264 PolarHBondContact O-N 2.93Å; Q260-D264 VanDerWaalsContact O-N 3.14Å
261E48.5Very low54.8Low131 Ų131110.5 Ų110.561%0.61261%0.606SS**Hα-helixtrans-69.8-31.8-179.6-76.2-175.9160.600112.2P258 A265P258-E261 PolarHBondContact O-N 3.48Å; P258-E261 VanDerWaalsContact O-N 3.13Å; E261-A265 WeakPolarHBondContact O-CB 3.46Å; E261-A265 PolarHBondContact O-N 3.49Å
262T54.8Low57.4Low66 Ų66113.4 Ų113.441%0.40561%0.605SS.*Hα-helixtrans-75-31.9179.257.20000112.2V259 Q260 N266V259-T262 PolarHBondContact O-OG1 2.93Å; Q260-T262 VanDerWaalsContact C-N 3.33Å; Q260-T262 PolarHBondContact O-N 3.48Å; T262-N266 VanDerWaalsContact O-CB 3.27Å; T262-N266 WeakPolarHBondContact O-CB 3.28Å; T262-N266 PolarHBondContact O-N 2.93Å; T262-N266 PolarHBondContact O-ND2 2.86Å; T262-N266 VanDerWaalsContact O-ND2 3.08Å
263M53.7Low60Low124 Ų124107.2 Ų107.261%0.61159%0.589SS**Hα-helixtrans-67.8-45170.9-76.8-161.6163.500111.5V259 Q260 N266 L267V259-M263 PolarHBondContact O-N 2.82Å; Q260-M263 PolarHBondContact O-N 3.3Å; M263-N266 PolarHBondContact O-N 2.99Å; M263-L267 WeakPolarHBondContact O-CB 3.19Å; M263-L267 PolarHBondContact O-N 3Å
264D67.5Low62.4Low88 Ų88105.4 Ų105.447%0.47157%0.572SS.*Hα-helixtrans-67.4-39.3178.8-70.7-22.4000112Q260 L267 Q268Q260-D264 PolarHBondContact O-N 2.93Å; Q260-D264 VanDerWaalsContact O-N 3.14Å; D264-L267 PolarHBondContact O-N 2.99Å; D264-Q268 WeakPolarHBondContact O-CB 3.46Å; D264-Q268 VanDerWaalsContact O-CG 3.25Å; D264-Q268 WeakPolarHBondContact O-CG 3.46Å; D264-Q268 PolarHBondContact O-N 3.27Å
265A72.8Confident64.9Low41 Ų41107.4 Ų107.434%0.33957%0.571SS.*Hα-helixtrans-66.9-37.9175.700000112.7E261 K269E261-A265 WeakPolarHBondContact O-CB 3.46Å; E261-A265 PolarHBondContact O-N 3.49Å; A265-K269 WeakPolarHBondContact O-CB 3.49Å; A265-K269 WeakPolarHBondContact O-CG 3.41Å; A265-K269 PolarHBondContact O-N 2.86Å
266N76.1Confident67.5Low94 Ų94106 Ų10650%0.50356%0.558SS.*Hα-helixtrans-70.9-37.1175.8-73.8-23.5000111.6T262 M263 K269 L270T262-N266 VanDerWaalsContact O-CB 3.27Å; T262-N266 WeakPolarHBondContact O-CB 3.28Å; T262-N266 PolarHBondContact O-N 2.93Å; T262-N266 PolarHBondContact O-ND2 2.86Å; T262-N266 VanDerWaalsContact O-ND2 3.08Å; M263-N266 PolarHBondContact O-N 2.99Å; N266-K269 PolarHBondContact O-N 3Å; N266-L270 PolarHBondContact O-N 3.12Å
267L76.3Confident70Confident110 Ų110104.1 Ų104.158%0.57654%0.544SS*.Hα-helixtrans-66.9-42.6175.3-158.368.8000111M263 D264 K269 L270 T271M263-L267 WeakPolarHBondContact O-CB 3.19Å; M263-L267 PolarHBondContact O-N 3Å; D264-L267 PolarHBondContact O-N 2.99Å; L267-K269 PolarHBondContact O-N 3.2Å; L267-L270 WeakPolarHBondContact O-CB 3.38Å; L267-L270 PolarHBondContact O-N 2.83Å; L267-T271 PolarHBondContact O-N 3.38Å; L267-T271 PolarHBondContact O-OG1 2.8Å
268Q79Confident72.1Confident133 Ų133103.1 Ų103.162%0.62154%0.539SS*.Hα-helixtrans-62.4-39.5173.8-76.1176.53.400112.7D264 T271 Q272D264-Q268 WeakPolarHBondContact O-CB 3.46Å; D264-Q268 VanDerWaalsContact O-CG 3.25Å; D264-Q268 WeakPolarHBondContact O-CG 3.46Å; D264-Q268 PolarHBondContact O-N 3.27Å; Q268-T271 PolarHBondContact O-N 3.49Å; Q268-Q272 PolarHBondContact O-N 2.8Å
269K84.7Confident74.3Confident130 Ų130103.8 Ų103.857%0.56554%0.539SS*.Hα-helixtrans-64.1-41.4173.9-80.8177.8-179.3176.90112.1A265 N266 L267 Q272 L273A265-K269 WeakPolarHBondContact O-CB 3.49Å; A265-K269 WeakPolarHBondContact O-CG 3.41Å; A265-K269 PolarHBondContact O-N 2.86Å; N266-K269 PolarHBondContact O-N 3Å; L267-K269 PolarHBondContact O-N 3.2Å; K269-Q272 PolarHBondContact O-N 3.19Å; K269-L273 WeakPolarHBondContact O-CB 3.48Å; K269-L273 PolarHBondContact O-N 3.23Å
270L81.6Confident75.9Confident107 Ų107103.4 Ų103.456%0.5653%0.533SS*.Hα-helixtrans-62-45.2174-92.6158.4000111.3N266 L267 Q272 L273 V274N266-L270 PolarHBondContact O-N 3.12Å; L267-L270 WeakPolarHBondContact O-CB 3.38Å; L267-L270 PolarHBondContact O-N 2.83Å; L270-Q272 PolarHBondContact O-N 3.43Å; L270-L273 PolarHBondContact O-N 2.88Å; L270-V274 WeakPolarHBondContact O-CG2 3.31Å; L270-V274 PolarHBondContact O-N 3.03Å
271T85.2Confident77.3Confident77 Ų77102.6 Ų102.647%0.47253%0.531SS..Hα-helixtrans-63.2-39.9176.2-51.20000112.1L267 Q268 V274 N275L267-T271 PolarHBondContact O-N 3.38Å; L267-T271 PolarHBondContact O-OG1 2.8Å; Q268-T271 PolarHBondContact O-N 3.49Å; T271-V274 PolarHBondContact O-N 3.22Å; T271-N275 WeakPolarHBondContact O-CB 3.34Å; T271-N275 PolarHBondContact O-N 2.98Å
272Q87.2Confident78.8Confident143 Ų143102.1 Ų102.167%0.66853%0.529SS*.Hα-helixtrans-64.7-39.4174.6-82.7-1722.300112.7Q268 K269 L270 N275 K276Q268-Q272 PolarHBondContact O-N 2.8Å; K269-Q272 PolarHBondContact O-N 3.19Å; L270-Q272 PolarHBondContact O-N 3.43Å; Q272-N275 PolarHBondContact O-N 3.43Å; Q272-K276 VanDerWaalsContact O-CB 3.28Å; Q272-K276 WeakPolarHBondContact O-CB 3.5Å; Q272-K276 PolarHBondContact O-N 3.28Å
273L88.4Confident80Confident102 Ų102105.6 Ų105.653%0.53454%0.539SS..Hα-helixtrans-63.3-47.4176.4-97.2157000111.5K269 L270 N275 K276 E277K269-L273 WeakPolarHBondContact O-CB 3.48Å; K269-L273 PolarHBondContact O-N 3.23Å; L270-L273 PolarHBondContact O-N 2.88Å; L273-N275 VanDerWaalsContact C-N 3.34Å; L273-N275 PolarHBondContact O-N 3.09Å; L273-K276 PolarHBondContact O-N 3.02Å; L273-K276 VanDerWaalsContact O-N 3.13Å; L273-E277 PolarHBondContact O-N 3.3Å
274V85.2Confident81.1Confident80 Ų80105.6 Ų105.649%0.48554%0.539SS..Hα-helixtrans-62.2-41.4178.3173.10000111.5L270 T271 K276 E277 S278L270-V274 WeakPolarHBondContact O-CG2 3.31Å; L270-V274 PolarHBondContact O-N 3.03Å; T271-V274 PolarHBondContact O-N 3.22Å; V274-K276 VanDerWaalsContact C-N 3.34Å; V274-K276 PolarHBondContact O-N 3.5Å; V274-E277 PolarHBondContact O-N 2.93Å; V274-S278 WeakPolarHBondContact O-CB 3.37Å; V274-S278 PolarHBondContact O-N 3.28Å; V274-S278 PolarHBondContact O-OG 3.46Å
275N85.1Confident81.5Confident94 Ų94105.1 Ų105.150%0.50354%0.536SS..Hα-helixtrans-68.2-32.8175.4-78.3-5.9000112.6T271 Q272 L273 N279T271-N275 WeakPolarHBondContact O-CB 3.34Å; T271-N275 PolarHBondContact O-N 2.98Å; Q272-N275 PolarHBondContact O-N 3.43Å; L273-N275 VanDerWaalsContact C-N 3.34Å; L273-N275 PolarHBondContact O-N 3.09Å; N275-N279 PolarHBondContact O-N 3.43Å; N275-N279 VanDerWaalsContact O-N 3.13Å; N275-N279 PolarHBondContact O-ND2 3.33Å
276K89.1Confident81.7Confident145 Ų145107.7 Ų107.763%0.6354%0.544SS*.Hα-helixtrans-70.5-41.1176.8-169.2179.1-179.5-177.40111.4Q272 L273 V274 L280Q272-K276 VanDerWaalsContact O-CB 3.28Å; Q272-K276 WeakPolarHBondContact O-CB 3.5Å; Q272-K276 PolarHBondContact O-N 3.28Å; L273-K276 PolarHBondContact O-N 3.02Å; L273-K276 VanDerWaalsContact O-N 3.13Å; V274-K276 VanDerWaalsContact C-N 3.34Å; V274-K276 PolarHBondContact O-N 3.5Å; K276-L280 HydrophobicContact CG-CD1 4.38Å; K276-L280 PolarHBondContact O-N 2.94Å; K276-L280 VanDerWaalsContact O-N 3.08Å
277E84.8Confident81.6Confident123 Ų123108.4 Ų108.458%0.57555%0.548SS*.Hα-helixtrans-64.5-43174-75.2-171.9162.400111.7L273 V274 N279 L280 I281L273-E277 PolarHBondContact O-N 3.3Å; V274-E277 PolarHBondContact O-N 2.93Å; E277-N279 VanDerWaalsContact C-N 3.35Å; E277-N279 PolarHBondContact O-N 3.19Å; E277-L280 WeakPolarHBondContact O-CB 3.22Å; E277-L280 PolarHBondContact O-N 3Å; E277-L280 VanDerWaalsContact O-N 3.12Å; E277-I281 WeakPolarHBondContact O-CG1 3.46Å; E277-I281 PolarHBondContact O-N 2.95Å
278S80.4Confident81.1Confident64 Ų64109.2 Ų109.245%0.44855%0.552SS.*Hα-helixtrans-59.7-44.5177.5-57.40000111.9V274 L280 I281 E282V274-S278 WeakPolarHBondContact O-CB 3.37Å; V274-S278 PolarHBondContact O-N 3.28Å; V274-S278 PolarHBondContact O-OG 3.46Å; S278-L280 VanDerWaalsContact C-N 3.33Å; S278-L280 PolarHBondContact O-N 2.93Å; S278-I281 PolarHBondContact O-N 3.32Å; S278-E282 PolarHBondContact O-N 3.16Å
279N82.2Confident80.6Confident90 Ų90112.1 Ų112.148%0.48156%0.558SS.*Hα-helixtrans-66.2-31.7175.6-81.8-57.2000113.6N275 E277 K283N275-N279 PolarHBondContact O-N 3.43Å; N275-N279 VanDerWaalsContact O-N 3.13Å; N275-N279 PolarHBondContact O-ND2 3.33Å; E277-N279 VanDerWaalsContact C-N 3.35Å; E277-N279 PolarHBondContact O-N 3.19Å; N279-K283 WeakPolarHBondContact O-CB 3.06Å; N279-K283 WeakPolarHBondContact O-CG 3.27Å; N279-K283 PolarHBondContact O-N 3.21Å; N279-K283 VanDerWaalsContact O-N 3.08Å
280L82.9Confident79.6Confident96 Ų96110 Ų11050%0.50356%0.559SS.*Hα-helixtrans-70-41.2176-93.3154.9000111.1K276 E277 S278 K283 M284K276-L280 HydrophobicContact CG-CD1 4.38Å; K276-L280 PolarHBondContact O-N 2.94Å; K276-L280 VanDerWaalsContact O-N 3.08Å; E277-L280 WeakPolarHBondContact O-CB 3.22Å; E277-L280 PolarHBondContact O-N 3Å; E277-L280 VanDerWaalsContact O-N 3.12Å; S278-L280 VanDerWaalsContact C-N 3.33Å; S278-L280 PolarHBondContact O-N 2.93Å; L280-K283 PolarHBondContact O-N 3.01Å; L280-M284 WeakPolarHBondContact O-CB 3.3Å; L280-M284 VanDerWaalsContact O-CG 3.31Å; L280-M284 WeakPolarHBondContact O-CG 3.39Å; L280-M284 PolarHBondContact O-N 3.45Å
281I78.2Confident78.3Confident116 Ų116108.6 Ų108.660%0.59556%0.558SS**Hα-helixtrans-63.6-45.9176.2-66.9164.7000110.2E277 S278 K283 M284 D285E277-I281 WeakPolarHBondContact O-CG1 3.46Å; E277-I281 PolarHBondContact O-N 2.95Å; S278-I281 PolarHBondContact O-N 3.32Å; I281-K283 PolarHBondContact O-N 3.31Å; I281-M284 PolarHBondContact O-N 3.09Å; I281-M284 VanDerWaalsContact O-N 3.15Å; I281-D285 PolarHBondContact O-N 3.01Å
282E79.2Confident76.9Confident121 Ų121110.6 Ų110.657%0.56557%0.572SS**Hα-helixtrans-61.9-43.1178.3-165.3172.5-164.700111.8S278 M284 D285 D286S278-E282 PolarHBondContact O-N 3.16Å; E282-M284 VanDerWaalsContact C-N 3.32Å; E282-M284 PolarHBondContact O-N 3.4Å; E282-D285 PolarHBondContact O-N 3.26Å; E282-D286 PolarHBondContact O-N 3.36Å
283K81.1Confident75.2Confident140 Ų140112.6 Ų112.661%0.60958%0.582SS**Hα-helixtrans-65.3-31.7173.9-79.6-177.8179-179.10113.9N279 L280 I281 N287N279-K283 WeakPolarHBondContact O-CB 3.06Å; N279-K283 WeakPolarHBondContact O-CG 3.27Å; N279-K283 PolarHBondContact O-N 3.21Å; N279-K283 VanDerWaalsContact O-N 3.08Å; L280-K283 PolarHBondContact O-N 3.01Å; I281-K283 PolarHBondContact O-N 3.31Å; K283-N287 WeakPolarHBondContact O-CB 3.38Å; K283-N287 PolarHBondContact O-N 3.03Å; K283-N287 VanDerWaalsContact O-N 3.11Å; K283-N287 PolarHBondContact O-ND2 3.22Å
284M77.1Confident73.2Confident124 Ų124117 Ų11761%0.61160%0.599SS**Hα-helixtrans-71.6-39.9174.6-76.5177.863.100110.9L280 I281 E282 N287 L288L280-M284 WeakPolarHBondContact O-CB 3.3Å; L280-M284 VanDerWaalsContact O-CG 3.31Å; L280-M284 WeakPolarHBondContact O-CG 3.39Å; L280-M284 PolarHBondContact O-N 3.45Å; I281-M284 PolarHBondContact O-N 3.09Å; I281-M284 VanDerWaalsContact O-N 3.15Å; E282-M284 VanDerWaalsContact C-N 3.32Å; E282-M284 PolarHBondContact O-N 3.4Å; M284-N287 PolarHBondContact O-N 3.34Å; M284-L288 VanDerWaalsContact O-CG 3.26Å; M284-L288 WeakPolarHBondContact O-CG 3.44Å; M284-L288 PolarHBondContact O-N 2.96Å
285D75.8Confident71.1Confident78 Ų78122.2 Ų122.242%0.41762%0.615SS.*Hα-helixtrans-67.8-39.7177.1-156.942.9000111.8I281 E282 L288 R289I281-D285 PolarHBondContact O-N 3.01Å; E282-D285 PolarHBondContact O-N 3.26Å; D285-L288 PolarHBondContact O-N 2.95Å; D285-R289 WeakPolarHBondContact O-CG 3.3Å; D285-R289 PolarHBondContact O-N 2.99Å; D285-R289 IonicContact OD2-CZ 3.99Å; D285-R289 IonicContact OD2-NE 3.47Å; D285-R289 PolarHBondContact OD2-NE 3.14Å; D285-R289 IonicContact OD2-NH2 3.78Å
286D75.2Confident69Low94 Ų94123.7 Ų123.750%0.50363%0.63SS.*Hα-helixtrans-64-41.2173.4-84.1-19000112.4E282 L288 R289 S290E282-D286 PolarHBondContact O-N 3.36Å; D286-L288 VanDerWaalsContact C-N 3.31Å; D286-L288 PolarHBondContact O-N 3.17Å; D286-R289 PolarHBondContact O-N 3.45Å; D286-S290 WeakPolarHBondContact O-CB 3.33Å; D286-S290 PolarHBondContact O-N 3.04Å; D286-S290 PolarHBondContact O-OG 2.93Å; D286-S290 VanDerWaalsContact O-OG 3.06Å
287N74.1Confident66.7Low110 Ų110126 Ų12659%0.58864%0.642SS**Hα-helixtrans-64.8-35.7175.1-86.8-59.2000112.5K283 M284 S290 S291K283-N287 WeakPolarHBondContact O-CB 3.38Å; K283-N287 PolarHBondContact O-N 3.03Å; K283-N287 VanDerWaalsContact O-N 3.11Å; K283-N287 PolarHBondContact O-ND2 3.22Å; M284-N287 PolarHBondContact O-N 3.34Å; N287-S290 WeakPolarHBondContact CA-OG 3.39Å; N287-S290 PolarHBondContact O-OG 2.78Å; N287-S291 PolarHBondContact O-N 2.9Å; N287-S291 VanDerWaalsContact O-N 3.12Å
288L67.4Low64.3Low127 Ų127131.2 Ų131.267%0.66566%0.657SS**Hα-helixtrans-68.1-38.6173.9-72.6168.3000111.4M284 D285 D286 S291M284-L288 VanDerWaalsContact O-CG 3.26Å; M284-L288 WeakPolarHBondContact O-CG 3.44Å; M284-L288 PolarHBondContact O-N 2.96Å; D285-L288 PolarHBondContact O-N 2.95Å; D286-L288 VanDerWaalsContact C-N 3.31Å; D286-L288 PolarHBondContact O-N 3.17Å; L288-S291 PolarHBondContact O-N 2.97Å
289R67.1Low62.4Low194 Ų194134.1 Ų134.173%0.73267%0.672SS**Hα-helixtrans-70.8-31.7175.1-73.7175.5-178.6-138.90.5113.3D285 D286D285-R289 WeakPolarHBondContact O-CG 3.3Å; D285-R289 PolarHBondContact O-N 2.99Å; D285-R289 IonicContact OD2-CZ 3.99Å; D285-R289 IonicContact OD2-NE 3.47Å; D285-R289 PolarHBondContact OD2-NE 3.14Å; D285-R289 IonicContact OD2-NH2 3.78Å; D286-R289 PolarHBondContact O-N 3.45Å
290S63.9Low60.2Low85 Ų85138.4 Ų138.459%0.59469%0.689SS**THydrogen-bonded Turntrans-87.2-3.8177.765.60000114.1D286 N287D286-S290 WeakPolarHBondContact O-CB 3.33Å; D286-S290 PolarHBondContact O-N 3.04Å; D286-S290 PolarHBondContact O-OG 2.93Å; D286-S290 VanDerWaalsContact O-OG 3.06Å; N287-S290 WeakPolarHBondContact CA-OG 3.39Å; N287-S290 PolarHBondContact O-OG 2.78Å
291S53.7Low58.4Low77 Ų77139 Ų13954%0.53870%0.699SS.*SBendtrans-71.9122.9178.9-154.20000110.1N287 L288 Q293N287-S291 PolarHBondContact O-N 2.9Å; N287-S291 VanDerWaalsContact O-N 3.12Å; L288-S291 PolarHBondContact O-N 2.97Å; S291-Q293 PolarHBondContact O-N 3.24Å
292P55.8Low56.7Low119 Ų119143.2 Ų143.277%0.77371%0.713SS**  trans-65.8111.2-177.924-30.8000110.3H294P292-H294 PolarHBondContact O-N 2.81Å
293Q53.3Low55Low185 Ų185143 Ų14386%0.86472%0.722SS**PPolyproline II helixtrans-52.5128.9170.7-70.8179.1-12.800110.1S291 K295S291-Q293 PolarHBondContact O-N 3.24Å; Q293-K295 PolarHBondContact O-N 2.62Å
294H45.2Very low52.8Low195 Ų195140.9 Ų140.990%0.90373%0.725SS**PPolyproline II helixtrans-49.2119.6171.1-107.4-81.9000110.4P292P292-H294 PolarHBondContact O-N 2.81Å
295K42.4Very low50.9Low190 Ų190143 Ų14383%0.82674%0.738SS**PPolyproline II helixtrans-58.2143.7167.9-80.3179.6176.4176.40110.1Q293Q293-K295 PolarHBondContact O-N 2.62Å
296P40.4Very low49.2Very low124 Ų124144.8 Ų144.881%0.80576%0.756SS**PPolyproline II helixtrans-67.1133.7178.827.2-32.6000110.8R298P296-R298 PolarHBondContact O-N 3.38Å
297H39.6Very low47.4Very low193 Ų193145.8 Ų145.889%0.89477%0.77SS**PPolyproline II helixtrans-72.1126.2175.9-140.8-69.5000109.9
298R36.2Very low45.8Very low233 Ų233146.3 Ų146.388%0.87978%0.783SS**PPolyproline II helixtrans-62132.3-177.8-164.9176.5-175.2177.60.7111.8P296P296-R298 PolarHBondContact O-N 3.38Å
299T40Very low44.6Very low125 Ų125149.6 Ų149.677%0.76779%0.792SS**PPolyproline II helixtrans-74.6138.4167.430.40000112.1
300E35.4Very low43.2Very low180 Ų180147.1 Ų147.184%0.84179%0.793SS**  trans148.3159.5139-85.9-167-175.400112.4
301P44.4Very low42.2Very low109 Ų109148.1 Ų148.171%0.70880%0.8SS**  cis-129.1165.5-35.833-15.4000112.6
302K43.5Very low41.5Very low205 Ų205150.4 Ų150.489%0.89181%0.811SS**  trans-72148.7171.6-90.7177.4173.6173.70111.9
303P42.4Very low41.5Very low115 Ų115150.9 Ų150.975%0.74781%0.814SS**  trans-130.3129.4135.130.1-14.6000113.9
304S34.9Very low40.8Very low96 Ų96150 Ų15067%0.67184%0.838SS**  trans32.8123.9140.157.50000123.2
305L37.6Very low40.5Very low170 Ų170147.8 Ų147.889%0.8984%0.835SS**  60.6115.5126-73.6143.2000119.5
306S39.9Very low40.5Very low114 Ų114145.5 Ų145.580%0.79784%0.836SS**  -177.7140.7105.258.90000112.2
307S37.1Very low40.5Very low115 Ų115146.7 Ų146.780%0.80484%0.837SS**  trans-60.5144.5174.553.10000115.3
308S40.8Very low40.5Very low122 Ų122144 Ų14485%0.85383%0.834SS**  trans-158.1128.6134.654.40000111.3
309K42.4Very low40.8Very low195 Ų195138.4 Ų138.485%0.84883%0.831SS**  trans-78.4146.6168.5-63.4170.8172.5177.50108.6
310N37.3Very low40.8Very low143 Ų143139.3 Ų139.377%0.76584%0.836SS**  169.2125.4114.6-91.3-5.3000113.7
311S42.8Very low41.2Very low106 Ų106136.4 Ų136.474%0.74184%0.835SS**  72.6126.2124.4-47.20000122.6
312T40.6Very low41Very low125 Ų125138.5 Ų138.577%0.76785%0.845SS**  trans-50.5167.4162.5-170000114.3
313P55.5Low40.7Very low129 Ų129133 Ų13384%0.83884%0.841SS**  -143.7146.482.336.5-18.9000116.4
314A37.7Very low40.6Very low166 Ų166134.6 Ų134.6100%1.37285%0.85SS**  -134.70126.100000106.4

Retrieved 314 of 314 residues in 116.1 ms (Link to these results)

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