A0A096ML58_PAPAN Loading...

Transmembrane protein 225

AlphaFold DB , UniProt , Accession A0A096ML58, Species PAPAN (Papio anubis, Olive baboon), Gene TMEM225, Length 229 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
1M43.4Very low76.7Confident232 Ų23284.5 Ų84.5100%1.14346%0.456SS*.  0116.50-176.8178.1-175.900107.6H3M1-H3 PolarHBondContact O-N 3.45Å
2V47.4Very low78.2Confident131 Ų13185.1 Ų85.179%0.79446%0.456SS*.  trans-80.5119.5-175.3-177.80000109.8V4V2-V4 HydrophobicContact CG1-CG2 4Å; V2-V4 PolarHBondContact O-N 3.3Å
3H59.8Low79.5Confident181 Ų18178.5 Ų78.584%0.83842%0.421SS*.  trans-89.380.8-176.6-151.377.5000110.7M1 S5M1-H3 PolarHBondContact O-N 3.45Å; H3-S5 PolarHBondContact O-N 3.48Å
4V70.4Confident80.6Confident74 Ų7475.1 Ų75.145%0.44840%0.402SS..  trans-71.2111.4-176.6-172.80000110.6V2 I9V2-V4 HydrophobicContact CG1-CG2 4Å; V2-V4 PolarHBondContact O-N 3.3Å; V4-I9 HydrophobicContact CG1-CD1 4.16Å; V4-I9 HydrophobicContact CG1-CG1 3.72Å
5S84Confident81.7Confident69 Ų6977.7 Ų77.748%0.48342%0.415SS..  trans-63.5138.4178.4173.50000112.6H3 R7 S8 I9H3-S5 PolarHBondContact O-N 3.48Å; S5-R7 PolarHBondContact O-N 3.19Å; S5-R7 VanDerWaalsContact O-N 3.09Å; S5-R7 PolarHBondContact OG-N 3.15Å; S5-S8 WeakPolarHBondContact O-CB 3.36Å; S5-S8 PolarHBondContact O-N 2.98Å; S5-I9 PolarHBondContact O-N 3.09Å
6K84.8Confident82.6Confident57 Ų5774.4 Ų74.425%0.24840%0.397CS..Hα-helixtrans-49.2-36.4173.4-165-170.6-170-168.20112.2I9 Q10 L164K6-I9 PolarHBondContact O-N 3.44Å; K6-Q10 WeakPolarHBondContact O-CG 3.27Å; K6-Q10 PolarHBondContact O-N 3.24Å; K6-L164 HydrophobicContact CB-CD2 4.23Å
7R87.1Confident83.5Confident85 Ų8570.1 Ų70.132%0.32137%0.374SS..Hα-helixtrans-68.8-35.2179.6-169.262.9175.8-179.74112.7S5 Q10 G11 F88 Y90S5-R7 PolarHBondContact O-N 3.19Å; S5-R7 VanDerWaalsContact O-N 3.09Å; S5-R7 PolarHBondContact OG-N 3.15Å; R7-Q10 PolarHBondContact O-N 2.93Å; R7-G11 PolarHBondContact O-N 3.45Å; R7-F88 VanDerWaalsContact CZ-O 3.28Å; R7-F88 PolarHBondContact NH1-O 3.25Å; R7-F88 VanDerWaalsContact NH2-CE1 3.32Å; R7-F88 VanDerWaalsContact NH2-CZ 3.34Å; R7-F88 PolarHBondContact NH2-O 3.07Å; R7-Y90 PolarHBondContact NH1-OH 3.05Å; R7-Y90 VanDerWaalsContact NH1-OH 3.15Å
8S90.1Very high84.2Confident74 Ų7468.6 Ų68.652%0.51737%0.37SS..Hα-helixtrans-67.6-42.5175.9-172.20000111.3S5 Q10 G11 M12S5-S8 WeakPolarHBondContact O-CB 3.36Å; S5-S8 PolarHBondContact O-N 2.98Å; S8-Q10 VanDerWaalsContact C-N 3.35Å; S8-Q10 PolarHBondContact O-N 3.33Å; S8-G11 PolarHBondContact O-N 3.23Å; S8-M12 PolarHBondContact O-N 2.98Å
9I91.3Very high84.9Confident5 Ų572.4 Ų72.43%0.02638%0.379CS..Hα-helixtrans-59.6-46.9174.5-56.2171.9000110.2V4 S5 K6 G11 M12 N13 L157 L160 E161 L164V4-I9 HydrophobicContact CG1-CD1 4.16Å; V4-I9 HydrophobicContact CG1-CG1 3.72Å; S5-I9 PolarHBondContact O-N 3.09Å; K6-I9 PolarHBondContact O-N 3.44Å; I9-G11 PolarHBondContact O-N 3.37Å; I9-M12 PolarHBondContact O-N 3.15Å; I9-N13 VanDerWaalsContact O-CB 3.28Å; I9-N13 WeakPolarHBondContact O-CB 3.4Å; I9-N13 PolarHBondContact O-N 3.2Å; I9-L157 HydrophobicContact CG2-CB 3.99Å; I9-L157 HydrophobicContact CG2-CD2 4.08Å; I9-L160 HydrophobicContact CD1-CD2 3.89Å; I9-L160 HydrophobicContact CD1-CG 4.09Å; I9-E161 HydrophobicContact CB-CG 4.18Å; I9-E161 HydrophobicContact CG2-CG 3.52Å; I9-L164 HydrophobicContact CD1-CD2 4.25Å
10Q92.1Very high85.5Confident3 Ų368.8 Ų68.81%0.01436%0.36CS..Hα-helixtrans-63.8-39.8179.1-73.5175.6-9.100113.1K6 R7 S8 I14 F88 Q94 E161K6-Q10 WeakPolarHBondContact O-CG 3.27Å; K6-Q10 PolarHBondContact O-N 3.24Å; R7-Q10 PolarHBondContact O-N 2.93Å; S8-Q10 VanDerWaalsContact C-N 3.35Å; S8-Q10 PolarHBondContact O-N 3.33Å; Q10-I14 PolarHBondContact O-N 3.21Å; Q10-F88 HydrophobicContact CB-CD2 4.16Å; Q10-Q94 VanDerWaalsContact NE2-CD 3.31Å; Q10-E161 HydrophobicContact CG-CG 4.35Å; Q10-E161 WeakPolarHBondContact CG-OE1 3.42Å; Q10-E161 VanDerWaalsContact CG-OE2 3.27Å; Q10-E161 WeakPolarHBondContact CG-OE2 3.37Å; Q10-E161 PolarHBondContact NE2-OE2 3.28Å
11G93.3Very high86.1Confident18 Ų1866.6 Ų66.619%0.18635%0.349CS..Hα-helixtrans-62.6-47173.700000112.5R7 S8 I9 N13 I14 L15R7-G11 PolarHBondContact O-N 3.45Å; S8-G11 PolarHBondContact O-N 3.23Å; I9-G11 PolarHBondContact O-N 3.37Å; G11-N13 PolarHBondContact O-N 3.26Å; G11-I14 PolarHBondContact O-N 3.07Å; G11-L15 WeakPolarHBondContact O-CG 3.49Å; G11-L15 PolarHBondContact O-N 3.09Å
12M94.9Very high88.6Confident92 Ų9259 Ų5945%0.45332%0.316SS..Hα-helixtrans-61.6-41.9177.3-171.761.36700112.2S8 I9 I14 L15 L16 L157S8-M12 PolarHBondContact O-N 2.98Å; I9-M12 PolarHBondContact O-N 3.15Å; M12-I14 VanDerWaalsContact C-N 3.29Å; M12-I14 PolarHBondContact O-N 3.31Å; M12-L15 PolarHBondContact O-N 3.45Å; M12-L16 HydrophobicContact CG-CD1 3.98Å; M12-L16 HydrophobicContact CG-CG 4.41Å; M12-L16 WeakPolarHBondContact O-CB 3.28Å; M12-L16 WeakPolarHBondContact O-CG 3.48Å; M12-L16 PolarHBondContact O-N 3.34Å; M12-L16 HydrophobicContact SD-CD1 4.33Å; M12-L16 HydrophobicContact SD-CG 4.28Å; M12-L157 HydrophobicContact CB-CD1 4.19Å; M12-L157 HydrophobicContact CG-CD1 3.84Å
13N94.8Very high90.9Very high0 Ų053.4 Ų53.40%028%0.282CS..Hα-helixtrans-61.9-35.4178.3-157.2-4.3000111.7I9 G11 S17 L84 C154 L157 S158 E161I9-N13 VanDerWaalsContact O-CB 3.28Å; I9-N13 WeakPolarHBondContact O-CB 3.4Å; I9-N13 PolarHBondContact O-N 3.2Å; G11-N13 PolarHBondContact O-N 3.26Å; N13-S17 WeakPolarHBondContact O-CB 3.49Å; N13-S17 PolarHBondContact O-N 3.25Å; N13-S17 VanDerWaalsContact O-N 3.14Å; N13-S17 PolarHBondContact O-OG 2.93Å; N13-L84 WeakPolarHBondContact OD1-CD1 3.41Å; N13-C154 WeakPolarHBondContact OD1-CB 3.45Å; N13-C154 PolarHBondContact OD1-O 3.3Å; N13-L157 HydrophobicContact CB-CB 4.46Å; N13-L157 HydrophobicContact CB-CD1 4.31Å; N13-S158 PolarHBondContact ND2-OG 2.89Å; N13-E161 PolarHBondContact ND2-OE1 2.75Å; N13-E161 VanDerWaalsContact ND2-OE1 3.11Å
14I95.4Very high92.5Very high30 Ų3045 Ų4515%0.15424%0.243CC..Hα-helixtrans-70.6-50.9170.9-72.9171.2000111.8Q10 G11 M12 L16 S17 S18 N81 L84 F88Q10-I14 PolarHBondContact O-N 3.21Å; G11-I14 PolarHBondContact O-N 3.07Å; M12-I14 VanDerWaalsContact C-N 3.29Å; M12-I14 PolarHBondContact O-N 3.31Å; I14-L16 VanDerWaalsContact C-N 3.26Å; I14-L16 PolarHBondContact O-N 2.98Å; I14-S17 WeakPolarHBondContact CA-OG 3.4Å; I14-S17 PolarHBondContact O-N 2.98Å; I14-S17 VanDerWaalsContact O-N 3.17Å; I14-S17 PolarHBondContact O-OG 3.39Å; I14-S18 WeakPolarHBondContact O-CB 3.46Å; I14-S18 PolarHBondContact O-N 3.37Å; I14-S18 PolarHBondContact O-OG 2.86Å; I14-N81 PolarHBondContact O-ND2 3.45Å; I14-L84 WeakPolarHBondContact CD1-O 3.28Å; I14-L84 HydrophobicContact CG1-CB 3.89Å; I14-F88 HydrophobicContact CD1-CB 3.22Å; I14-F88 HydrophobicContact CD1-CD1 3.98Å; I14-F88 HydrophobicContact CD1-CD2 3.92Å; I14-F88 HydrophobicContact CD1-CG 3.48Å; I14-F88 VanDerWaalsContact CD1-CG 3.48Å
15L96.8Very high93.7Very high114 Ų11444.5 Ų44.560%0.59724%0.24SC*.Hα-helixtrans-56.4-42.6-177.6-70.9170.1000111.7G11 M12 W19G11-L15 WeakPolarHBondContact O-CG 3.49Å; G11-L15 PolarHBondContact O-N 3.09Å; M12-L15 PolarHBondContact O-N 3.45Å; L15-W19 WeakPolarHBondContact O-CB 3.5Å; L15-W19 PolarHBondContact O-N 2.95Å; L15-W19 VanDerWaalsContact O-N 3.09Å
16L96.4Very high94.1Very high25 Ų2543.5 Ų43.513%0.13123%0.228CC..Hα-helixtrans-68.6-45.9176.2-67.4173000112.5M12 I14 S18 W19 V20 F150 V153 C154 L157M12-L16 HydrophobicContact CG-CD1 3.98Å; M12-L16 HydrophobicContact CG-CG 4.41Å; M12-L16 WeakPolarHBondContact O-CB 3.28Å; M12-L16 WeakPolarHBondContact O-CG 3.48Å; M12-L16 PolarHBondContact O-N 3.34Å; M12-L16 HydrophobicContact SD-CD1 4.33Å; M12-L16 HydrophobicContact SD-CG 4.28Å; I14-L16 VanDerWaalsContact C-N 3.26Å; I14-L16 PolarHBondContact O-N 2.98Å; L16-S18 PolarHBondContact O-N 3.48Å; L16-W19 WeakPolarHBondContact O-CB 3.41Å; L16-W19 PolarHBondContact O-N 2.89Å; L16-V20 WeakPolarHBondContact O-CG2 3.48Å; L16-V20 PolarHBondContact O-N 3.4Å; L16-F150 HydrophobicContact CD2-CD1 3.76Å; L16-F150 HydrophobicContact CD2-CE1 4.01Å; L16-F150 HydrophobicContact CD2-CG 4.26Å; L16-V153 HydrophobicContact CD1-CB 4.19Å; L16-V153 HydrophobicContact CD1-CG1 3.51Å; L16-C154 VanDerWaalsContact CB-SG 3.51Å; L16-L157 HydrophobicContact CD1-CD1 3.86Å
17S96.9Very high94.4Very high1 Ų140.9 Ų40.91%0.00722%0.218CC..Hα-helixtrans-68.7-31179.354.80000113.4N13 I14 V20 V21 N81 L84N13-S17 WeakPolarHBondContact O-CB 3.49Å; N13-S17 PolarHBondContact O-N 3.25Å; N13-S17 VanDerWaalsContact O-N 3.14Å; N13-S17 PolarHBondContact O-OG 2.93Å; I14-S17 WeakPolarHBondContact CA-OG 3.4Å; I14-S17 PolarHBondContact O-N 2.98Å; I14-S17 VanDerWaalsContact O-N 3.17Å; I14-S17 PolarHBondContact O-OG 3.39Å; S17-V20 PolarHBondContact O-N 2.93Å; S17-V21 WeakPolarHBondContact O-CG2 3.49Å; S17-V21 PolarHBondContact O-N 2.88Å; S17-V21 VanDerWaalsContact O-N 3.14Å; S17-N81 PolarHBondContact OG-ND2 2.77Å; S17-L84 WeakPolarHBondContact OG-CD1 3.47Å
18S97.2Very high94.5Very high43 Ų4338.1 Ų38.130%0.30121%0.211SC..Hα-helixtrans-68.2-40.1170.7-68.50000111.2I14 L16 V20 V21 V22 N81I14-S18 WeakPolarHBondContact O-CB 3.46Å; I14-S18 PolarHBondContact O-N 3.37Å; I14-S18 PolarHBondContact O-OG 2.86Å; L16-S18 PolarHBondContact O-N 3.48Å; S18-V20 VanDerWaalsContact C-N 3.34Å; S18-V20 PolarHBondContact O-N 3.33Å; S18-V21 PolarHBondContact O-N 3.17Å; S18-V22 WeakPolarHBondContact O-CG2 3.34Å; S18-V22 PolarHBondContact O-N 3.29Å; S18-N81 PolarHBondContact N-ND2 3.15Å; S18-N81 VanDerWaalsContact N-ND2 3.12Å; S18-N81 PolarHBondContact OG-ND2 3.46Å; S18-N81 PolarHBondContact OG-OD1 3.07Å; S18-N81 VanDerWaalsContact OG-OD1 3.12Å
19W97.2Very high94.4Very high141 Ų14139 Ų3953%0.53421%0.213SC..Hα-helixtrans-61.1-40.3172.4-107.3122.1000112.6L15 L16 V21 V22 L23 F150L15-W19 WeakPolarHBondContact O-CB 3.5Å; L15-W19 PolarHBondContact O-N 2.95Å; L15-W19 VanDerWaalsContact O-N 3.09Å; L16-W19 WeakPolarHBondContact O-CB 3.41Å; L16-W19 PolarHBondContact O-N 2.89Å; W19-V21 PolarHBondContact O-N 3.32Å; W19-V22 HydrophobicContact CE3-CB 4.34Å; W19-V22 HydrophobicContact CE3-CG1 4.26Å; W19-V22 HydrophobicContact CZ3-CG1 4.13Å; W19-V22 PolarHBondContact O-N 3.33Å; W19-L23 HydrophobicContact CE3-CD1 3.75Å; W19-L23 HydrophobicContact CE3-CD2 4.28Å; W19-L23 HydrophobicContact CE3-CG 3.63Å; W19-L23 HydrophobicContact CZ3-CD1 4.06Å; W19-L23 HydrophobicContact CZ3-CD2 3.83Å; W19-L23 HydrophobicContact CZ3-CG 3.7Å; W19-L23 PolarHBondContact O-N 3.13Å; W19-F150 HydrophobicContact CB-CD2 4.35Å; W19-F150 HydrophobicContact CB-CE2 4.18Å
20V97.3Very high94.3Very high1 Ų141.6 Ų41.61%0.00623%0.227CC..Hα-helixtrans-58.9-46173.9171.80000111.3L16 S17 S18 T24 N147 F150 L151L16-V20 WeakPolarHBondContact O-CG2 3.48Å; L16-V20 PolarHBondContact O-N 3.4Å; S17-V20 PolarHBondContact O-N 2.93Å; S18-V20 VanDerWaalsContact C-N 3.34Å; S18-V20 PolarHBondContact O-N 3.33Å; V20-T24 VanDerWaalsContact O-CB 3.25Å; V20-T24 WeakPolarHBondContact O-CB 3.45Å; V20-T24 PolarHBondContact O-N 3.1Å; V20-T24 PolarHBondContact O-OG1 3.38Å; V20-N147 HydrophobicContact CG1-CB 4.46Å; V20-N147 PolarHBondContact O-ND2 3.27Å; V20-F150 HydrophobicContact CG2-CB 3.44Å; V20-F150 VanDerWaalsContact CG2-CB 3.44Å; V20-F150 HydrophobicContact CG2-CD2 4.21Å; V20-F150 HydrophobicContact CG2-CG 4.35Å; V20-L151 HydrophobicContact CG1-CD1 4.03Å; V20-L151 HydrophobicContact CG1-CD2 3.97Å; V20-L151 HydrophobicContact CG1-CG 3.86Å; V20-L151 HydrophobicContact CG2-CD2 4.4Å; V20-L151 HydrophobicContact CG2-CG 4.03Å
21V97.2Very high93.8Very high23 Ų2344.9 Ų44.914%0.13924%0.244CC..Hα-helixtrans-60.6-49.3176.6173.70000110.5S17 S18 W19 L23 T24 V25 N81S17-V21 WeakPolarHBondContact O-CG2 3.49Å; S17-V21 PolarHBondContact O-N 2.88Å; S17-V21 VanDerWaalsContact O-N 3.14Å; S18-V21 PolarHBondContact O-N 3.17Å; W19-V21 PolarHBondContact O-N 3.32Å; V21-L23 PolarHBondContact O-N 3.15Å; V21-T24 PolarHBondContact O-N 3.43Å; V21-V25 HydrophobicContact CG1-CG2 4.49Å; V21-V25 WeakPolarHBondContact O-CG2 3.29Å; V21-V25 PolarHBondContact O-N 3.28Å; V21-N81 HydrophobicContact CG2-CB 4.11Å
22V96.8Very high93.5Very high73 Ų7348.3 Ų48.344%0.44226%0.255SS..Hα-helixtrans-58.9-49.6-179.7170.40000112S18 W19 T24 V25 I26S18-V22 WeakPolarHBondContact O-CG2 3.34Å; S18-V22 PolarHBondContact O-N 3.29Å; W19-V22 HydrophobicContact CE3-CB 4.34Å; W19-V22 HydrophobicContact CE3-CG1 4.26Å; W19-V22 HydrophobicContact CZ3-CG1 4.13Å; W19-V22 PolarHBondContact O-N 3.33Å; V22-T24 VanDerWaalsContact C-N 3.34Å; V22-T24 PolarHBondContact O-N 3.5Å; V22-V25 PolarHBondContact O-N 3.32Å; V22-I26 HydrophobicContact CG1-CD1 3.84Å; V22-I26 VanDerWaalsContact O-CG1 3.31Å; V22-I26 WeakPolarHBondContact O-CG1 3.29Å; V22-I26 PolarHBondContact O-N 3.12Å
23L95.1Very high93.1Very high13 Ų1344 Ų447%0.06823%0.234CC..Hα-helixtrans-69-31.4179.1-74.2169.2000112.8W19 V21 I26 G27 T143 L146 N147 F150W19-L23 HydrophobicContact CE3-CD1 3.75Å; W19-L23 HydrophobicContact CE3-CD2 4.28Å; W19-L23 HydrophobicContact CE3-CG 3.63Å; W19-L23 HydrophobicContact CZ3-CD1 4.06Å; W19-L23 HydrophobicContact CZ3-CD2 3.83Å; W19-L23 HydrophobicContact CZ3-CG 3.7Å; W19-L23 PolarHBondContact O-N 3.13Å; V21-L23 PolarHBondContact O-N 3.15Å; L23-I26 HydrophobicContact CD2-CD1 4.27Å; L23-I26 PolarHBondContact O-N 2.87Å; L23-G27 PolarHBondContact O-N 2.96Å; L23-T143 HydrophobicContact CD2-CG2 3.85Å; L23-L146 HydrophobicContact CD1-CD2 4.33Å; L23-N147 WeakPolarHBondContact CB-ND2 3.47Å; L23-N147 WeakPolarHBondContact CB-OD1 3.49Å; L23-N147 WeakPolarHBondContact CD1-OD1 3.36Å; L23-F150 HydrophobicContact CD1-CE2 4Å
24T93.8Very high92.7Very high3 Ų344 Ų442%0.01823%0.234CC..Hα-helixtrans-69.4-40.3174.7-540000110.6V20 V21 V22 G27 V28 L74 N147V20-T24 VanDerWaalsContact O-CB 3.25Å; V20-T24 WeakPolarHBondContact O-CB 3.45Å; V20-T24 PolarHBondContact O-N 3.1Å; V20-T24 PolarHBondContact O-OG1 3.38Å; V21-T24 PolarHBondContact O-N 3.43Å; V22-T24 VanDerWaalsContact C-N 3.34Å; V22-T24 PolarHBondContact O-N 3.5Å; T24-G27 PolarHBondContact O-N 3.3Å; T24-V28 VanDerWaalsContact O-CG2 3.27Å; T24-V28 WeakPolarHBondContact O-CG2 3.37Å; T24-V28 PolarHBondContact O-N 3.46Å; T24-L74 HydrophobicContact CG2-CB 3.89Å; T24-L74 HydrophobicContact CG2-CD1 3.98Å; T24-L74 HydrophobicContact CG2-CG 4.49Å; T24-N147 PolarHBondContact N-ND2 2.96Å; T24-N147 PolarHBondContact OG1-ND2 3.42Å
25V94.9Very high92.3Very high64 Ų6443.7 Ų43.739%0.38823%0.232SC..Hα-helixtrans-60.9-49171.9171.70000110.5V21 V22 G27 V28 T29 L74V21-V25 HydrophobicContact CG1-CG2 4.49Å; V21-V25 WeakPolarHBondContact O-CG2 3.29Å; V21-V25 PolarHBondContact O-N 3.28Å; V22-V25 PolarHBondContact O-N 3.32Å; V25-G27 VanDerWaalsContact C-N 3.31Å; V25-G27 PolarHBondContact O-N 3.34Å; V25-V28 CarbonylContact O-C 3.58Å; V25-V28 WeakPolarHBondContact O-CA 3.42Å; V25-V28 PolarHBondContact O-N 3.25Å; V25-T29 HydrophobicContact CG1-CG2 4.21Å; V25-T29 WeakPolarHBondContact O-CG2 3.4Å; V25-T29 PolarHBondContact O-N 3.45Å; V25-T29 PolarHBondContact O-OG1 3.01Å; V25-T29 VanDerWaalsContact O-OG1 3.06Å; V25-L74 HydrophobicContact CG2-CD1 3.73Å
26I92.8Very high91.6Very high48 Ų4838.6 Ų38.625%0.24621%0.205CC..Hα-helixtrans-54.1-48177.5-71.6165.8000111V22 L23 V28 T29 L30 W139V22-I26 HydrophobicContact CG1-CD1 3.84Å; V22-I26 VanDerWaalsContact O-CG1 3.31Å; V22-I26 WeakPolarHBondContact O-CG1 3.29Å; V22-I26 PolarHBondContact O-N 3.12Å; L23-I26 HydrophobicContact CD2-CD1 4.27Å; L23-I26 PolarHBondContact O-N 2.87Å; I26-V28 VanDerWaalsContact C-N 3.32Å; I26-V28 PolarHBondContact O-N 3Å; I26-T29 WeakPolarHBondContact CA-OG1 3.42Å; I26-T29 PolarHBondContact O-N 3.1Å; I26-T29 PolarHBondContact O-OG1 2.84Å; I26-L30 HydrophobicContact CG2-CD1 3.66Å; I26-L30 HydrophobicContact CG2-CG 4.29Å; I26-L30 WeakPolarHBondContact O-CB 3.48Å; I26-L30 WeakPolarHBondContact O-CG 3.39Å; I26-L30 PolarHBondContact O-N 3.45Å; I26-W139 HydrophobicContact CG2-CH2 3.87Å; I26-W139 HydrophobicContact CG2-CZ3 4.29Å
27G90.8Very high90.9Very high3 Ų339.8 Ų39.83%0.03121%0.211CC..Hα-helixtrans-66.8-25.717600000114.8L23 T24 V25 W33 W50L23-G27 PolarHBondContact O-N 2.96Å; T24-G27 PolarHBondContact O-N 3.3Å; V25-G27 VanDerWaalsContact C-N 3.31Å; V25-G27 PolarHBondContact O-N 3.34Å; G27-W33 VanDerWaalsContact O-CE2 3.26Å; G27-W33 VanDerWaalsContact O-CZ2 3.23Å; G27-W33 WeakPolarHBondContact O-CZ2 3.48Å; G27-W33 PolarHBondContact O-NE1 2.83Å; G27-W50 PolarHBondContact O-NE1 3.29Å
28V89.8Confident89.8Confident27 Ų2742.2 Ų42.216%0.16423%0.228CC..Hα-helixtrans-77.7-29171.9171.20000111.7T24 V25 I26 W50 M70 M71 L74T24-V28 VanDerWaalsContact O-CG2 3.27Å; T24-V28 WeakPolarHBondContact O-CG2 3.37Å; T24-V28 PolarHBondContact O-N 3.46Å; V25-V28 CarbonylContact O-C 3.58Å; V25-V28 WeakPolarHBondContact O-CA 3.42Å; V25-V28 PolarHBondContact O-N 3.25Å; I26-V28 VanDerWaalsContact C-N 3.32Å; I26-V28 PolarHBondContact O-N 3Å; V28-W50 HydrophobicContact CB-CZ2 4.36Å; V28-W50 HydrophobicContact CG1-CZ2 4.35Å; V28-W50 HydrophobicContact CG2-CH2 4.29Å; V28-W50 HydrophobicContact CG2-CZ2 3.72Å; V28-M70 HydrophobicContact CG2-CE 4.49Å; V28-M71 HydrophobicContact CG1-CE 3.64Å; V28-L74 HydrophobicContact CG2-CD2 4.44Å
29T88.5Confident88.4Confident92 Ų9247.1 Ų47.156%0.56425%0.246SC*.Hα-helixtrans-92.8-20-176.153.20000116V25 I26V25-T29 HydrophobicContact CG1-CG2 4.21Å; V25-T29 WeakPolarHBondContact O-CG2 3.4Å; V25-T29 PolarHBondContact O-N 3.45Å; V25-T29 PolarHBondContact O-OG1 3.01Å; V25-T29 VanDerWaalsContact O-OG1 3.06Å; I26-T29 WeakPolarHBondContact CA-OG1 3.42Å; I26-T29 PolarHBondContact O-N 3.1Å; I26-T29 PolarHBondContact O-OG1 2.84Å
30L88.1Confident86.8Confident60 Ų6048 Ų4831%0.31426%0.261SS..  trans-106132.4-174.2-67-176.4000111.9I26 W33 W139 I140I26-L30 HydrophobicContact CG2-CD1 3.66Å; I26-L30 HydrophobicContact CG2-CG 4.29Å; I26-L30 WeakPolarHBondContact O-CB 3.48Å; I26-L30 WeakPolarHBondContact O-CG 3.39Å; I26-L30 PolarHBondContact O-N 3.45Å; L30-W33 PolarHBondContact O-NE1 2.98Å; L30-W139 HydrophobicContact CD1-CH2 3.82Å; L30-W139 HydrophobicContact CD1-CZ2 3.66Å; L30-I140 HydrophobicContact CB-CD1 3.51Å; L30-I140 HydrophobicContact CD1-CD1 3.78Å; L30-I140 HydrophobicContact CD1-CG1 4.22Å; L30-I140 HydrophobicContact CG-CD1 4.32Å
31D82.4Confident85Confident72 Ų7255.3 Ų55.339%0.38530%0.295SS..SBendtrans-87.9-3.2-176.1-77.4-42.3000115.1W33 H47 S48 M51D31-W33 VanDerWaalsContact C-N 3.3Å; D31-W33 PolarHBondContact O-N 3.17Å; D31-W33 VanDerWaalsContact O-N 3.14Å; D31-H47 CarbonylContact O-C 3.59Å; D31-H47 PolarHBondContact O-N 3.14Å; D31-S48 WeakPolarHBondContact O-CB 3.36Å; D31-S48 PolarHBondContact O-N 3.27Å; D31-S48 WeakPolarHBondContact OD1-CB 3.42Å; D31-S48 PolarHBondContact OD1-OG 2.96Å; D31-M51 HydrophobicContact CB-CG 3.84Å; D31-M51 HydrophobicContact CB-SD 3.92Å; D31-M51 VanDerWaalsContact CG-CG 3.42Å; D31-M51 VanDerWaalsContact OD1-CG 3.24Å; D31-M51 WeakPolarHBondContact OD1-CG 3.41Å
32E85.9Confident83.3Confident89 Ų8956.5 Ų56.542%0.41631%0.312SS..  trans-8938.8-173.1-44.2-167.8127.700113.5V34 N46 T138 I140E32-V34 VanDerWaalsContact C-N 3.35Å; E32-V34 PolarHBondContact O-N 3.09Å; E32-N46 WeakPolarHBondContact CG-ND2 3.32Å; E32-N46 PolarHBondContact OE1-ND2 3.47Å; E32-T138 VanDerWaalsContact O-CB 3.27Å; E32-T138 WeakPolarHBondContact O-CB 3.48Å; E32-T138 WeakPolarHBondContact O-CG2 3.42Å; E32-T138 PolarHBondContact O-OG1 2.95Å; E32-I140 HydrophobicContact CB-CD1 3.85Å
33W87.3Confident82Confident2 Ų257.1 Ų57.11%0.00831%0.313CS..SBendtrans-64.8-39.8-175.5-79.859.4000112.9G27 L30 D31 H47 P49 M70 L117 Y120 T138 I140 M141 A144G27-W33 VanDerWaalsContact O-CE2 3.26Å; G27-W33 VanDerWaalsContact O-CZ2 3.23Å; G27-W33 WeakPolarHBondContact O-CZ2 3.48Å; G27-W33 PolarHBondContact O-NE1 2.83Å; L30-W33 PolarHBondContact O-NE1 2.98Å; D31-W33 VanDerWaalsContact C-N 3.3Å; D31-W33 PolarHBondContact O-N 3.17Å; D31-W33 VanDerWaalsContact O-N 3.14Å; W33-H47 WeakPolarHBondContact CB-O 3.36Å; W33-H47 PolarHBondContact N-O 2.97Å; W33-P49 HydrophobicContact CD2-CG 4.28Å; W33-P49 HydrophobicContact CE3-CG 4.39Å; W33-M70 HydrophobicContact CH2-CE 3.54Å; W33-M70 HydrophobicContact CH2-SD 3.55Å; W33-M70 VanDerWaalsContact CH2-SD 3.55Å; W33-M70 HydrophobicContact CZ2-CE 3.7Å; W33-M70 HydrophobicContact CZ2-SD 3.83Å; W33-M70 HydrophobicContact CZ3-SD 4.42Å; W33-L117 HydrophobicContact CH2-CD2 4.23Å; W33-L117 HydrophobicContact CZ3-CD2 3.68Å; W33-Y120 HydrophobicContact CB-CE1 4.3Å; W33-Y120 HydrophobicContact CE3-CD1 4.24Å; W33-Y120 AromaticContact CE3-CE1 3.95Å; W33-Y120 HydrophobicContact CE3-CE1 3.95Å; W33-T138 PolarHBondContact O-N 3.28Å; W33-T138 PolarHBondContact O-OG1 2.87Å; W33-T138 VanDerWaalsContact O-OG1 3.1Å; W33-I140 HydrophobicContact CD2-CG2 4.1Å; W33-I140 HydrophobicContact CG-CG2 4.14Å; W33-I140 HydrophobicContact CZ2-CG2 4.32Å; W33-M141 HydrophobicContact CE3-CB 4.5Å; W33-M141 HydrophobicContact CE3-SD 3.53Å; W33-M141 VanDerWaalsContact CE3-SD 3.53Å; W33-M141 HydrophobicContact CZ3-SD 3.61Å; W33-A144 HydrophobicContact CH2-CB 3.99Å; W33-A144 HydrophobicContact CZ3-CB 4.17Å
34V86.8Confident81.2Confident1 Ų162.4 Ų62.41%0.00634%0.335CS..EExtended strand (participates in β ladder)trans-142.8137.7-178.9173.70000109.4E32 L36 N46 H47 Y120 L124 Y135 R136E32-V34 VanDerWaalsContact C-N 3.35Å; E32-V34 PolarHBondContact O-N 3.09Å; V34-L36 HydrophobicContact CG1-CD2 3.86Å; V34-N46 WeakPolarHBondContact O-CA 3.47Å; V34-H47 PolarHBondContact N-O 3.26Å; V34-H47 VanDerWaalsContact N-O 3.08Å; V34-H47 PolarHBondContact O-N 2.95Å; V34-Y120 HydrophobicContact CG2-CE1 4.21Å; V34-L124 HydrophobicContact CG1-CD2 4.38Å; V34-L124 HydrophobicContact CG2-CD1 3.76Å; V34-Y135 HydrophobicContact CG1-CD2 3.74Å; V34-Y135 HydrophobicContact CG1-CG 4.14Å; V34-R136 WeakPolarHBondContact CA-O 3.41Å
35E86.1Confident80.5Confident22 Ų2265.2 Ų65.210%0.10335%0.349CS..EExtended strand (participates in β ladder)trans-93.9102.2172.2179.2-172.8-155.100107.5K44 Y135 R136E35-K44 HydrophobicContact CG-CB 4.16Å; E35-K44 HydrophobicContact CG-CD 3.9Å; E35-K44 WeakPolarHBondContact OE1-CD 3.39Å; E35-K44 WeakPolarHBondContact OE1-CE 3.27Å; E35-K44 IonicContact OE1-NZ 3.61Å; E35-K44 PolarHBondContact OE1-NZ 2.88Å; E35-Y135 CarbonylContact O-C 3.16Å; E35-Y135 WeakPolarHBondContact O-CA 3.37Å; E35-R136 HydrophobicContact CB-CB 4.23Å; E35-R136 PolarHBondContact N-O 3.39Å; E35-R136 PolarHBondContact O-N 3.43Å; E35-R136 IonicContact OE1-NH1 2.75Å; E35-R136 VanDerWaalsContact OE2-CD 3.23Å; E35-R136 WeakPolarHBondContact OE2-CD 3.36Å; E35-R136 IonicContact OE2-CZ 3.79Å; E35-R136 IonicContact OE2-NE 2.69Å; E35-R136 IonicContact OE2-NH1 2.84Å; E35-R136 PolarHBondContact OE2-NH1 2.93Å
36L83.3Confident79.9Confident7 Ų765 Ų654%0.03735%0.346CS..EExtended strand (participates in β ladder)trans-79.3144.2176.4-58.6178.6000110.4V34 K44 I45 H47 V57 L124 F132V34-L36 HydrophobicContact CG1-CD2 3.86Å; L36-K44 VanDerWaalsContact O-CA 3.29Å; L36-K44 WeakPolarHBondContact O-CA 3.34Å; L36-I45 HydrophobicContact CB-CB 4.46Å; L36-I45 WeakPolarHBondContact CB-O 3.43Å; L36-I45 PolarHBondContact N-O 3.39Å; L36-I45 PolarHBondContact O-N 2.87Å; L36-H47 HydrophobicContact CD1-CB 3.69Å; L36-H47 HydrophobicContact CG-CB 3.92Å; L36-V57 HydrophobicContact CD1-CG1 4.35Å; L36-L124 HydrophobicContact CD2-CD2 4.22Å; L36-F132 HydrophobicContact CD1-CD1 4.29Å; L36-F132 HydrophobicContact CD1-CE1 4.31Å; L36-F132 HydrophobicContact CD2-CD1 4.17Å; L36-F132 HydrophobicContact CD2-CD2 4.13Å; L36-F132 HydrophobicContact CD2-CE1 3.91Å; L36-F132 HydrophobicContact CD2-CE2 3.88Å; L36-F132 HydrophobicContact CD2-CG 4.29Å; L36-F132 HydrophobicContact CD2-CZ 3.76Å
37I80.9Confident79.5Confident51 Ų5163.2 Ų63.226%0.26234%0.336SS..EExtended strand (participates in β ladder)trans-121.7114.2-178.3-55.7174.1000109.3S133 S134I37-S133 PolarHBondContact O-N 2.83Å; I37-S134 PolarHBondContact N-O 2.89Å
38S73.7Confident79.1Confident51 Ų5163 Ų6336%0.35734%0.335SS..  trans-76.6157.4176.5-168.20000112.2I43S38-I43 PolarHBondContact N-O 2.72Å
39E67.5Low78.7Confident147 Ų14761.8 Ų61.869%0.68733%0.327SS*.SBendtrans-79.1-46.2-178.1-71.6-169.6152.500113.7S133E39-S133 WeakPolarHBondContact CG-OG 3.26Å; E39-S133 VanDerWaalsContact OE1-CB 3.31Å; E39-S133 WeakPolarHBondContact OE1-CB 3.25Å; E39-S133 PolarHBondContact OE1-OG 3.38Å
40D63.3Low78.4Confident158 Ų15859.5 Ų59.585%0.84531%0.308SS*.SBendtrans-73.2-34.9-167.1-91.5-40.9000115.1
41E59.3Low77.7Confident155 Ų15559.1 Ų59.172%0.72431%0.306SS*.SBendtrans-129.91.3-168.7-63.5-168.9128.200114.6I43E41-I43 HydrophobicContact CB-CD1 3.95Å; E41-I43 HydrophobicContact CB-CG1 3.85Å; E41-I43 PolarHBondContact O-N 3.38Å; E41-I43 WeakPolarHBondContact OE2-CD1 3.4Å
42G62.3Low76.7Confident48 Ų4860.2 Ų60.250%0.49532%0.315SS..  trans62.88.1-174.300000114.6K44G42-K44 PolarHBondContact O-N 3.16Å
43I69.3Low74.9Confident87 Ų8761 Ų6145%0.44633%0.329SS..  trans-58.5135.1174.4-67.7176.9000109.1S38 E41 I45S38-I43 PolarHBondContact N-O 2.72Å; E41-I43 HydrophobicContact CB-CD1 3.95Å; E41-I43 HydrophobicContact CB-CG1 3.85Å; E41-I43 PolarHBondContact O-N 3.38Å; E41-I43 WeakPolarHBondContact OE2-CD1 3.4Å; I43-I45 HydrophobicContact CG2-CG1 4.17Å
44K77.8Confident73.3Confident123 Ų12362.8 Ų62.854%0.53534%0.342SS..EExtended strand (participates in β ladder)trans-108130.9-179.7-51.7-164.7-172.5174.40110.5E35 L36 G42E35-K44 HydrophobicContact CG-CB 4.16Å; E35-K44 HydrophobicContact CG-CD 3.9Å; E35-K44 WeakPolarHBondContact OE1-CD 3.39Å; E35-K44 WeakPolarHBondContact OE1-CE 3.27Å; E35-K44 IonicContact OE1-NZ 3.61Å; E35-K44 PolarHBondContact OE1-NZ 2.88Å; L36-K44 VanDerWaalsContact O-CA 3.29Å; L36-K44 WeakPolarHBondContact O-CA 3.34Å; G42-K44 PolarHBondContact O-N 3.16Å
45I80.2Confident71.6Confident62 Ų6268 Ų6832%0.31838%0.375SS..EExtended strand (participates in β ladder)trans-121.3115.9-175.7-58.9176.8000108L36 I43L36-I45 HydrophobicContact CB-CB 4.46Å; L36-I45 WeakPolarHBondContact CB-O 3.43Å; L36-I45 PolarHBondContact N-O 3.39Å; L36-I45 PolarHBondContact O-N 2.87Å; I43-I45 HydrophobicContact CG2-CG1 4.17Å
46N82.2Confident69.9Low60 Ų6071.4 Ų71.432%0.32141%0.408SS..EExtended strand (participates in β ladder)trans-67135.9168.7-75.3-10.7000109.1E32 V34E32-N46 WeakPolarHBondContact CG-ND2 3.32Å; E32-N46 PolarHBondContact OE1-ND2 3.47Å; V34-N46 WeakPolarHBondContact O-CA 3.47Å
47H83.3Confident68.6Low10 Ų1072.9 Ų72.95%0.04642%0.416CS..EExtended strand (participates in β ladder)trans-140139.7-175.8178.1-95.1000111.4D31 W33 V34 L36 Y120D31-H47 CarbonylContact O-C 3.59Å; D31-H47 PolarHBondContact O-N 3.14Å; W33-H47 WeakPolarHBondContact CB-O 3.36Å; W33-H47 PolarHBondContact N-O 2.97Å; V34-H47 PolarHBondContact N-O 3.26Å; V34-H47 VanDerWaalsContact N-O 3.08Å; V34-H47 PolarHBondContact O-N 2.95Å; L36-H47 HydrophobicContact CD1-CB 3.69Å; L36-H47 HydrophobicContact CG-CB 3.92Å; H47-Y120 PolarHBondContact ND1-OH 3.11Å; H47-Y120 PolarHBondContact O-OH 2.7Å
48S83.9Confident67.6Low0 Ų071.2 Ų71.20%041%0.407CS..  trans-133.4167.2176.782.10000112.3D31 W50 M51D31-S48 WeakPolarHBondContact O-CB 3.36Å; D31-S48 PolarHBondContact O-N 3.27Å; D31-S48 WeakPolarHBondContact OD1-CB 3.42Å; D31-S48 PolarHBondContact OD1-OG 2.96Å; S48-W50 PolarHBondContact O-N 2.69Å; S48-W50 VanDerWaalsContact O-N 3.13Å; S48-W50 WeakPolarHBondContact OG-CA 3.31Å; S48-W50 WeakPolarHBondContact OG-CB 3.41Å; S48-W50 PolarHBondContact OG-N 3.28Å; S48-M51 PolarHBondContact OG-N 2.84Å
49P81.8Confident67Low1 Ų172 Ų721%0.00641%0.411CS..SBendtrans-61.2-11.8166.7-2133.2000114.6W33 V66 R67 Y120W33-P49 HydrophobicContact CD2-CG 4.28Å; W33-P49 HydrophobicContact CE3-CG 4.39Å; P49-V66 HydrophobicContact CB-CG1 4.2Å; P49-V66 HydrophobicContact CG-CG1 4.34Å; P49-R67 HydrophobicContact CB-CG 4.48Å; P49-R67 WeakPolarHBondContact O-CD 3.45Å; P49-R67 WeakPolarHBondContact O-CG 3.47Å; P49-Y120 HydrophobicContact CG-CD2 4.08Å; P49-Y120 HydrophobicContact CG-CE1 4.33Å; P49-Y120 HydrophobicContact CG-CE2 3.84Å; P49-Y120 HydrophobicContact CG-CG 4.44Å
50W80.7Confident66.7Low43 Ų4369.6 Ų69.616%0.16340%0.4CS..SBendtrans-106.8-25.9-168.4-49.3106.1000113.8G27 V28 S48 T52 R67 M70 M71G27-W50 PolarHBondContact O-NE1 3.29Å; V28-W50 HydrophobicContact CB-CZ2 4.36Å; V28-W50 HydrophobicContact CG1-CZ2 4.35Å; V28-W50 HydrophobicContact CG2-CH2 4.29Å; V28-W50 HydrophobicContact CG2-CZ2 3.72Å; S48-W50 PolarHBondContact O-N 2.69Å; S48-W50 VanDerWaalsContact O-N 3.13Å; S48-W50 WeakPolarHBondContact OG-CA 3.31Å; S48-W50 WeakPolarHBondContact OG-CB 3.41Å; S48-W50 PolarHBondContact OG-N 3.28Å; W50-T52 PolarHBondContact O-N 3.4Å; W50-R67 HydrophobicContact CD2-CG 4.44Å; W50-R67 HydrophobicContact CE3-CB 4.31Å; W50-R67 HydrophobicContact CE3-CG 3.74Å; W50-R67 HydrophobicContact CH2-CB 4.21Å; W50-R67 HydrophobicContact CH2-CG 4.32Å; W50-R67 WeakPolarHBondContact CH2-O 2.99Å; W50-R67 HydrophobicContact CZ3-CB 3.72Å; W50-R67 HydrophobicContact CZ3-CG 3.68Å; W50-M70 HydrophobicContact CH2-CB 3.68Å; W50-M70 HydrophobicContact CZ2-CB 3.56Å; W50-M70 HydrophobicContact CZ2-CE 4.4Å; W50-M70 HydrophobicContact CZ2-CG 4.22Å; W50-M70 HydrophobicContact CZ2-SD 3.83Å; W50-M71 HydrophobicContact CE3-CE 4.31Å; W50-M71 HydrophobicContact CH2-CE 3.87Å; W50-M71 HydrophobicContact CH2-CG 3.99Å; W50-M71 HydrophobicContact CH2-SD 4.47Å; W50-M71 HydrophobicContact CZ3-CE 3.59Å; W50-M71 HydrophobicContact CZ3-CG 4.13Å
51M74.1Confident66.8Low53 Ų5367.6 Ų67.626%0.26139%0.389SS..  trans-59.9124177.5-71.7-178.573.900111.8D31 S48D31-M51 HydrophobicContact CB-CG 3.84Å; D31-M51 HydrophobicContact CB-SD 3.92Å; D31-M51 VanDerWaalsContact CG-CG 3.42Å; D31-M51 VanDerWaalsContact OD1-CG 3.24Å; D31-M51 WeakPolarHBondContact OD1-CG 3.41Å; S48-M51 PolarHBondContact OG-N 2.84Å
52T60.6Low67.3Low95 Ų9563 Ų6358%0.58337%0.37SS*.  trans-94.5-1.7174.646.50000113.5W50W50-T52 PolarHBondContact O-N 3.4Å
53C48.7Very low68.3Low106 Ų10661.1 Ų61.172%0.71635%0.348SS*.SBendtrans-100.79.5-158.6-142.70000116P55C53-P55 VanDerWaalsContact C-CD 3.47Å
54C53.3Low69.1Low39 Ų3961.9 Ų61.926%0.26435%0.348SS..  trans-130.351.9-177.8-59.40000114.8A56 V57 W58C54-A56 PolarHBondContact O-N 3.32Å; C54-V57 HydrophobicContact CB-CB 4.47Å; C54-V57 PolarHBondContact O-N 3.37Å; C54-W58 PolarHBondContact O-N 2.83Å
55P51.5Low69.6Low109 Ų10959.8 Ų59.871%0.70835%0.345SS*.THydrogen-bonded Turntrans-63.8-14.3-177.428.2-36.7000114.8C53 V57C53-P55 VanDerWaalsContact C-CD 3.47Å; P55-V57 VanDerWaalsContact C-N 3.33Å
56A50.8Low70Confident95 Ų9557 Ų5779%0.78533%0.331SS*.THydrogen-bonded Turntrans-78.3-14.1173.100000113.9C54C54-A56 PolarHBondContact O-N 3.32Å
57V55.5Low70.4Confident37 Ų3756.4 Ų56.422%0.22432%0.324CS..THydrogen-bonded Turntrans-116.3-24.5-175.4-174.10000112L36 C54 P55 H131 F132L36-V57 HydrophobicContact CD1-CG1 4.35Å; C54-V57 HydrophobicContact CB-CB 4.47Å; C54-V57 PolarHBondContact O-N 3.37Å; P55-V57 VanDerWaalsContact C-N 3.33Å; V57-H131 HydrophobicContact CG1-CB 4.36Å; V57-H131 PolarHBondContact O-CD2 3.5Å; V57-H131 VanDerWaalsContact O-CD2 3.24Å; V57-F132 HydrophobicContact CG1-CD1 4.4Å
58W60.8Low70.8Confident17 Ų1760.8 Ų60.86%0.06435%0.347CS..SBendtrans-147.4133.3177-153.4-80.9000113.8C54 E60 L63 K123 F132C54-W58 PolarHBondContact O-N 2.83Å; W58-E60 PolarHBondContact O-N 3.36Å; W58-L63 HydrophobicContact CG-CD1 4.21Å; W58-K123 HydrophobicContact CH2-CB 4.33Å; W58-K123 WeakPolarHBondContact CH2-O 3.47Å; W58-K123 HydrophobicContact CZ2-CB 3.83Å; W58-K123 HydrophobicContact CZ2-CD 4.21Å; W58-F132 HydrophobicContact CE3-CE1 4.2Å; W58-F132 AromaticContact CZ3-CE1 3.85Å; W58-F132 HydrophobicContact CZ3-CE1 3.85Å; W58-F132 HydrophobicContact CZ3-CZ 4.14Å
59P60.3Low71.2Confident67 Ų6762.8 Ų62.844%0.43536%0.357SS..  trans-72.6122.7173.727.9-33.5000112.4D61 D62P59-D61 PolarHBondContact O-N 3.49Å; P59-D62 HydrophobicContact CG-CB 4.32Å; P59-D62 WeakPolarHBondContact O-CB 3.38Å; P59-D62 PolarHBondContact O-N 2.87Å
60E61.4Low71.7Confident97 Ų9763 Ų6345%0.45336%0.358SS..THydrogen-bonded Turntrans-67.4-30.4-164.4-143.6-149.7128.800115.5W58 D62 L63 R67W58-E60 PolarHBondContact O-N 3.36Å; E60-D62 PolarHBondContact O-N 3.48Å; E60-L63 PolarHBondContact O-N 3.15Å; E60-R67 PolarHBondContact O-NH2 3.48Å; E60-R67 IonicContact OE1-CZ 2.68Å; E60-R67 IonicContact OE1-NH1 3.8Å; E60-R67 PolarHBondContact OE1-NH1 3.44Å; E60-R67 IonicContact OE1-NH2 2.72Å; E60-R67 PolarHBondContact OE1-NH2 3.03Å
61D65.9Low72.4Confident116 Ų11665.4 Ų65.462%0.6237%0.372SS*.Hα-helixtrans-64.9-27.9178.5-84.8-56.5000112.5P59 L63 K64P59-D61 PolarHBondContact O-N 3.49Å; D61-L63 VanDerWaalsContact C-N 3.27Å; D61-L63 PolarHBondContact O-N 3.2Å; D61-K64 WeakPolarHBondContact O-CB 3.41Å; D61-K64 PolarHBondContact O-N 2.84Å; D61-K64 WeakPolarHBondContact OD1-CD 3.49Å; D61-K64 IonicContact OD1-NZ 3.04Å; D61-K64 PolarHBondContact OD1-NZ 3.29Å
62D70.1Confident73.4Confident59 Ų5965.7 Ų65.732%0.31638%0.379SS..Hα-helixtrans-67.1-27.2-178.5-108.4-3.7000113.2P59 E60 K123P59-D62 HydrophobicContact CG-CB 4.32Å; P59-D62 WeakPolarHBondContact O-CB 3.38Å; P59-D62 PolarHBondContact O-N 2.87Å; E60-D62 PolarHBondContact O-N 3.48Å; D62-K123 HydrophobicContact CB-CD 4.42Å; D62-K123 WeakPolarHBondContact OD1-CE 3.38Å; D62-K123 IonicContact OD1-NZ 2.67Å; D62-K123 PolarHBondContact OD1-NZ 3.21Å; D62-K123 WeakPolarHBondContact OD2-CE 3.49Å; D62-K123 IonicContact OD2-NZ 2.67Å; D62-K123 PolarHBondContact OD2-NZ 2.95Å
63L81.5Confident75Confident7 Ų761.1 Ų61.14%0.03735%0.351CS..Hα-helixtrans-93-10.3177.9-64.1174.5000112.7W58 E60 D61 V65 V66 R67 Y120W58-L63 HydrophobicContact CG-CD1 4.21Å; E60-L63 PolarHBondContact O-N 3.15Å; D61-L63 VanDerWaalsContact C-N 3.27Å; D61-L63 PolarHBondContact O-N 3.2Å; L63-V65 VanDerWaalsContact C-N 3.32Å; L63-V65 PolarHBondContact O-N 2.94Å; L63-V66 PolarHBondContact O-N 3.14Å; L63-V66 VanDerWaalsContact O-N 3.12Å; L63-R67 WeakPolarHBondContact O-CG 3.14Å; L63-R67 PolarHBondContact O-N 3.24Å; L63-Y120 HydrophobicContact CD2-CD2 3.84Å; L63-Y120 HydrophobicContact CD2-CE2 3.95Å
64K86.9Confident77.2Confident104 Ų10457.9 Ų57.945%0.45233%0.326SS..Hα-helixtrans-58.2-41.2-179.5-168.2173.5-173.8168.90112.7D61 R67 I68D61-K64 WeakPolarHBondContact O-CB 3.41Å; D61-K64 PolarHBondContact O-N 2.84Å; D61-K64 WeakPolarHBondContact OD1-CD 3.49Å; D61-K64 IonicContact OD1-NZ 3.04Å; D61-K64 PolarHBondContact OD1-NZ 3.29Å; K64-R67 PolarHBondContact O-N 3Å; K64-I68 HydrophobicContact CG-CD1 4.22Å; K64-I68 WeakPolarHBondContact O-CD1 3.35Å; K64-I68 VanDerWaalsContact O-CG1 3.26Å; K64-I68 WeakPolarHBondContact O-CG1 3.4Å; K64-I68 PolarHBondContact O-N 2.91Å
65V88.3Confident79.3Confident79 Ų7958 Ų5848%0.47934%0.335SS..Hα-helixtrans-65.1-41.7176.4-179.30000111.1L63 I68 M69 L119L63-V65 VanDerWaalsContact C-N 3.32Å; L63-V65 PolarHBondContact O-N 2.94Å; V65-I68 PolarHBondContact O-N 2.99Å; V65-M69 HydrophobicContact CG1-CE 3.82Å; V65-M69 HydrophobicContact CG1-SD 4.24Å; V65-M69 WeakPolarHBondContact O-CG 3.31Å; V65-M69 PolarHBondContact O-N 3.3Å; V65-L119 HydrophobicContact CG1-CD1 4.36Å
66V89.6Confident81.4Confident4 Ų454.6 Ų54.62%0.02431%0.31CS..Hα-helixtrans-63.9-46.9177.2-177.80000110.5P49 L63 I68 M69 M70 L119P49-V66 HydrophobicContact CB-CG1 4.2Å; P49-V66 HydrophobicContact CG-CG1 4.34Å; L63-V66 PolarHBondContact O-N 3.14Å; L63-V66 VanDerWaalsContact O-N 3.12Å; V66-I68 PolarHBondContact O-N 2.87Å; V66-M69 PolarHBondContact O-N 3.48Å; V66-M70 HydrophobicContact CG1-CG 4.48Å; V66-M70 WeakPolarHBondContact O-CB 3.46Å; V66-M70 WeakPolarHBondContact O-CG 3.39Å; V66-M70 PolarHBondContact O-N 3.26Å; V66-L119 HydrophobicContact CG2-CB 4.23Å
67R90.4Very high83.6Confident47 Ų4750.1 Ų50.118%0.17727%0.273CS..Hα-helixtrans-55-47.1174.5-73.1-174.3-85.1-176.41.7112.2P49 W50 E60 L63 K64 M70 M71P49-R67 HydrophobicContact CB-CG 4.48Å; P49-R67 WeakPolarHBondContact O-CD 3.45Å; P49-R67 WeakPolarHBondContact O-CG 3.47Å; W50-R67 HydrophobicContact CD2-CG 4.44Å; W50-R67 HydrophobicContact CE3-CB 4.31Å; W50-R67 HydrophobicContact CE3-CG 3.74Å; W50-R67 HydrophobicContact CH2-CB 4.21Å; W50-R67 HydrophobicContact CH2-CG 4.32Å; W50-R67 WeakPolarHBondContact CH2-O 2.99Å; W50-R67 HydrophobicContact CZ3-CB 3.72Å; W50-R67 HydrophobicContact CZ3-CG 3.68Å; E60-R67 PolarHBondContact O-NH2 3.48Å; E60-R67 IonicContact OE1-CZ 2.68Å; E60-R67 IonicContact OE1-NH1 3.8Å; E60-R67 PolarHBondContact OE1-NH1 3.44Å; E60-R67 IonicContact OE1-NH2 2.72Å; E60-R67 PolarHBondContact OE1-NH2 3.03Å; L63-R67 WeakPolarHBondContact O-CG 3.14Å; L63-R67 PolarHBondContact O-N 3.24Å; K64-R67 PolarHBondContact O-N 3Å; R67-M70 PolarHBondContact O-N 2.88Å; R67-M71 WeakPolarHBondContact O-CG 3.48Å; R67-M71 PolarHBondContact O-N 3.49Å
68I91.3Very high85.6Confident101 Ų10154.3 Ų54.352%0.51829%0.289SS..Hα-helixtrans-64-44.5178.6-69.9164.7000111.6K64 V65 V66 M71 S72K64-I68 HydrophobicContact CG-CD1 4.22Å; K64-I68 WeakPolarHBondContact O-CD1 3.35Å; K64-I68 VanDerWaalsContact O-CG1 3.26Å; K64-I68 WeakPolarHBondContact O-CG1 3.4Å; K64-I68 PolarHBondContact O-N 2.91Å; V65-I68 PolarHBondContact O-N 2.99Å; V66-I68 PolarHBondContact O-N 2.87Å; I68-M71 PolarHBondContact O-N 3.36Å; I68-S72 WeakPolarHBondContact O-CB 3.42Å; I68-S72 PolarHBondContact O-N 3.42Å; I68-S72 PolarHBondContact O-OG 3.22Å
69M92.6Very high87.3Confident43 Ų4356.9 Ų56.921%0.21230%0.304CS..Hα-helixtrans-61.8-46.3176.6-73.4179175.200111V65 V66 M71 S72 I73 A116 L119V65-M69 HydrophobicContact CG1-CE 3.82Å; V65-M69 HydrophobicContact CG1-SD 4.24Å; V65-M69 WeakPolarHBondContact O-CG 3.31Å; V65-M69 PolarHBondContact O-N 3.3Å; V66-M69 PolarHBondContact O-N 3.48Å; M69-M71 PolarHBondContact O-N 3Å; M69-S72 WeakPolarHBondContact O-CB 3.26Å; M69-S72 PolarHBondContact O-N 2.93Å; M69-I73 VanDerWaalsContact O-CD1 3.26Å; M69-I73 WeakPolarHBondContact O-CD1 3.45Å; M69-I73 VanDerWaalsContact O-CG1 3.25Å; M69-I73 WeakPolarHBondContact O-CG1 3.36Å; M69-I73 PolarHBondContact O-N 3.14Å; M69-A116 HydrophobicContact CB-CB 3.93Å; M69-A116 HydrophobicContact SD-CB 4.26Å; M69-L119 HydrophobicContact CE-CD1 4.04Å; M69-L119 HydrophobicContact SD-CD1 3.83Å
70M92.1Very high89Confident5 Ų553.8 Ų53.83%0.02528%0.283CS..Hα-helixtrans-62.9-41.8178.7-75.5-150.469.800113.6V28 W33 W50 V66 R67 S72 I73 L74V28-M70 HydrophobicContact CG2-CE 4.49Å; W33-M70 HydrophobicContact CH2-CE 3.54Å; W33-M70 HydrophobicContact CH2-SD 3.55Å; W33-M70 VanDerWaalsContact CH2-SD 3.55Å; W33-M70 HydrophobicContact CZ2-CE 3.7Å; W33-M70 HydrophobicContact CZ2-SD 3.83Å; W33-M70 HydrophobicContact CZ3-SD 4.42Å; W50-M70 HydrophobicContact CH2-CB 3.68Å; W50-M70 HydrophobicContact CZ2-CB 3.56Å; W50-M70 HydrophobicContact CZ2-CE 4.4Å; W50-M70 HydrophobicContact CZ2-CG 4.22Å; W50-M70 HydrophobicContact CZ2-SD 3.83Å; V66-M70 HydrophobicContact CG1-CG 4.48Å; V66-M70 WeakPolarHBondContact O-CB 3.46Å; V66-M70 WeakPolarHBondContact O-CG 3.39Å; V66-M70 PolarHBondContact O-N 3.26Å; R67-M70 PolarHBondContact O-N 2.88Å; M70-S72 VanDerWaalsContact C-N 3.32Å; M70-S72 PolarHBondContact O-N 3.49Å; M70-I73 PolarHBondContact O-N 2.9Å; M70-L74 PolarHBondContact O-N 3.12Å
71M93.9Very high90.7Very high94 Ų9450.8 Ų50.846%0.46327%0.27SS..Hα-helixtrans-64-38.1173.3-74-64.817700112.1V28 W50 R67 I68 M69 L74 G75V28-M71 HydrophobicContact CG1-CE 3.64Å; W50-M71 HydrophobicContact CE3-CE 4.31Å; W50-M71 HydrophobicContact CH2-CE 3.87Å; W50-M71 HydrophobicContact CH2-CG 3.99Å; W50-M71 HydrophobicContact CH2-SD 4.47Å; W50-M71 HydrophobicContact CZ3-CE 3.59Å; W50-M71 HydrophobicContact CZ3-CG 4.13Å; R67-M71 WeakPolarHBondContact O-CG 3.48Å; R67-M71 PolarHBondContact O-N 3.49Å; I68-M71 PolarHBondContact O-N 3.36Å; M69-M71 PolarHBondContact O-N 3Å; M71-L74 PolarHBondContact O-N 3.39Å; M71-L74 HydrophobicContact SD-CD2 4.5Å; M71-G75 PolarHBondContact O-N 2.97Å
72S94.9Very high92.1Very high58 Ų5849.2 Ų49.241%0.40626%0.261SS..Hα-helixtrans-61.5-44172.5-57.80000111.7I68 M69 M70 L74 G75 L76I68-S72 WeakPolarHBondContact O-CB 3.42Å; I68-S72 PolarHBondContact O-N 3.42Å; I68-S72 PolarHBondContact O-OG 3.22Å; M69-S72 WeakPolarHBondContact O-CB 3.26Å; M69-S72 PolarHBondContact O-N 2.93Å; M70-S72 VanDerWaalsContact C-N 3.32Å; M70-S72 PolarHBondContact O-N 3.49Å; S72-L74 PolarHBondContact O-N 2.94Å; S72-G75 PolarHBondContact O-N 3.25Å; S72-L76 WeakPolarHBondContact O-CB 3.27Å; S72-L76 WeakPolarHBondContact O-CG 3.27Å; S72-L76 PolarHBondContact O-N 3.47Å
73I95.5Very high93.3Very high0 Ų047.1 Ų47.10%025%0.25CS..Hα-helixtrans-64-39.9178.3-67.4151.2000111.4M69 M70 L76 S77 L112 L113 A116M69-I73 VanDerWaalsContact O-CD1 3.26Å; M69-I73 WeakPolarHBondContact O-CD1 3.45Å; M69-I73 VanDerWaalsContact O-CG1 3.25Å; M69-I73 WeakPolarHBondContact O-CG1 3.36Å; M69-I73 PolarHBondContact O-N 3.14Å; M70-I73 PolarHBondContact O-N 2.9Å; I73-L76 PolarHBondContact O-N 3.47Å; I73-S77 VanDerWaalsContact O-CB 3.23Å; I73-S77 WeakPolarHBondContact O-CB 3.25Å; I73-S77 PolarHBondContact O-N 3.36Å; I73-S77 PolarHBondContact O-OG 3.39Å; I73-L112 HydrophobicContact CD1-CB 4.2Å; I73-L112 HydrophobicContact CG1-CB 3.96Å; I73-L113 VanDerWaalsContact CD1-CA 3.41Å; I73-L113 HydrophobicContact CD1-CB 3.82Å; I73-L113 HydrophobicContact CD1-CD1 4.01Å; I73-L113 HydrophobicContact CG1-CB 4.35Å; I73-L113 HydrophobicContact CG2-CB 4.18Å; I73-L113 HydrophobicContact CG2-CD1 4.39Å; I73-L113 HydrophobicContact CG2-CD2 4.46Å; I73-A116 HydrophobicContact CD1-CB 4.23Å
74L95.4Very high93.9Very high37 Ų3746.9 Ų46.919%0.19425%0.249CC..Hα-helixtrans-61.2-47.5174.4178.659.2000111.2T24 V25 V28 M70 M71 S72 S77 F78T24-L74 HydrophobicContact CG2-CB 3.89Å; T24-L74 HydrophobicContact CG2-CD1 3.98Å; T24-L74 HydrophobicContact CG2-CG 4.49Å; V25-L74 HydrophobicContact CG2-CD1 3.73Å; V28-L74 HydrophobicContact CG2-CD2 4.44Å; M70-L74 PolarHBondContact O-N 3.12Å; M71-L74 PolarHBondContact O-N 3.39Å; M71-L74 HydrophobicContact SD-CD2 4.5Å; S72-L74 PolarHBondContact O-N 2.94Å; L74-S77 PolarHBondContact O-N 2.96Å; L74-F78 PolarHBondContact O-N 2.89Å
75G96.4Very high94.2Very high43 Ų4343 Ų4344%0.44324%0.239SC..Hα-helixtrans-62.4-44.1176.700000113.6M71 S72 F78 L79M71-G75 PolarHBondContact O-N 2.97Å; S72-G75 PolarHBondContact O-N 3.25Å; G75-F78 PolarHBondContact O-N 3.47Å; G75-L79 WeakPolarHBondContact O-CB 3.31Å; G75-L79 PolarHBondContact O-N 2.95Å
76L96.4Very high94.5Very high36 Ų3641.5 Ų41.519%0.18823%0.227CC..Hα-helixtrans-65.6-37176.1-67.3166.6000112.1S72 I73 L79 L80 L105 F108 S109 L112S72-L76 WeakPolarHBondContact O-CB 3.27Å; S72-L76 WeakPolarHBondContact O-CG 3.27Å; S72-L76 PolarHBondContact O-N 3.47Å; I73-L76 PolarHBondContact O-N 3.47Å; L76-L79 PolarHBondContact O-N 3.38Å; L76-L80 VanDerWaalsContact O-CB 3.31Å; L76-L80 WeakPolarHBondContact O-CB 3.25Å; L76-L80 PolarHBondContact O-N 3.5Å; L76-L105 HydrophobicContact CB-CD1 4.26Å; L76-L105 HydrophobicContact CD2-CD1 3.62Å; L76-F108 HydrophobicContact CD1-CD1 4.18Å; L76-F108 HydrophobicContact CD1-CE1 4.13Å; L76-S109 WeakPolarHBondContact CB-OG 3.43Å; L76-L112 HydrophobicContact CD1-CD1 3.8Å
77S96.3Very high94.5Very high1 Ų141.4 Ų41.41%0.00723%0.226CC..Hα-helixtrans-68.3-40.7176.6-600000111.8I73 L74 L80 N81I73-S77 VanDerWaalsContact O-CB 3.23Å; I73-S77 WeakPolarHBondContact O-CB 3.25Å; I73-S77 PolarHBondContact O-N 3.36Å; I73-S77 PolarHBondContact O-OG 3.39Å; L74-S77 PolarHBondContact O-N 2.96Å; S77-L80 PolarHBondContact O-N 3.2Å; S77-N81 WeakPolarHBondContact O-CB 3.46Å; S77-N81 PolarHBondContact O-N 3.41Å
78F96.4Very high94.5Very high125 Ų12542.3 Ų42.355%0.54823%0.232SC..Hα-helixtrans-63.7-45.5173.3-175.2-95.5000111.4L74 G75 L80 N81 L82L74-F78 PolarHBondContact O-N 2.89Å; G75-F78 PolarHBondContact O-N 3.47Å; F78-L80 PolarHBondContact O-N 2.87Å; F78-N81 PolarHBondContact O-N 3.3Å; F78-L82 HydrophobicContact CE1-CD2 4.29Å; F78-L82 VanDerWaalsContact O-CB 3.26Å; F78-L82 WeakPolarHBondContact O-CB 3.23Å; F78-L82 PolarHBondContact O-N 3.06Å
79L96.6Very high94.5Very high72 Ų7241.8 Ų41.838%0.37723%0.233SC..Hα-helixtrans-59.1-44.6174.9179.863.4000112G75 L76 L82 I83 L105G75-L79 WeakPolarHBondContact O-CB 3.31Å; G75-L79 PolarHBondContact O-N 2.95Å; L76-L79 PolarHBondContact O-N 3.38Å; L79-L82 PolarHBondContact O-N 3.06Å; L79-I83 HydrophobicContact CD1-CD1 3.87Å; L79-I83 HydrophobicContact CD1-CG1 4.32Å; L79-I83 HydrophobicContact CG-CD1 3.94Å; L79-I83 VanDerWaalsContact O-CG1 3.27Å; L79-I83 WeakPolarHBondContact O-CG1 3.23Å; L79-I83 PolarHBondContact O-N 3.36Å; L79-L105 HydrophobicContact CD2-CD2 4.26Å; L79-L105 HydrophobicContact CG-CD2 4.16Å
80L96.3Very high94.2Very high1 Ų147 Ų471%0.00525%0.252CS..Hα-helixtrans-60-49.9176.1176.865.8000111.3L76 S77 F78 I83 L84 T102 L105 L151L76-L80 VanDerWaalsContact O-CB 3.31Å; L76-L80 WeakPolarHBondContact O-CB 3.25Å; L76-L80 PolarHBondContact O-N 3.5Å; S77-L80 PolarHBondContact O-N 3.2Å; F78-L80 PolarHBondContact O-N 2.87Å; L80-I83 PolarHBondContact O-N 3.2Å; L80-L84 HydrophobicContact CD1-CD1 3.96Å; L80-L84 HydrophobicContact CD1-CG 4.31Å; L80-L84 HydrophobicContact CG-CD1 3.96Å; L80-L84 WeakPolarHBondContact O-CB 3.33Å; L80-L84 VanDerWaalsContact O-CG 3.27Å; L80-L84 WeakPolarHBondContact O-CG 3.45Å; L80-L84 PolarHBondContact O-N 3.25Å; L80-T102 HydrophobicContact CD1-CG2 4.29Å; L80-L105 HydrophobicContact CB-CD2 3.85Å; L80-L105 HydrophobicContact CB-CG 4.2Å; L80-L105 HydrophobicContact CD1-CB 4.47Å; L80-L105 HydrophobicContact CD1-CD2 4.12Å; L80-L105 HydrophobicContact CD1-CG 4.32Å; L80-L151 HydrophobicContact CD2-CD2 3.84Å
81N97.1Very high94.1Very high34 Ų3452.8 Ų52.818%0.18228%0.282CS..Hα-helixtrans-65.1-40.1-179.2-171.3-122.3000112I14 S17 S18 V21 S77 F78 L84 G85I14-N81 PolarHBondContact O-ND2 3.45Å; S17-N81 PolarHBondContact OG-ND2 2.77Å; S18-N81 PolarHBondContact N-ND2 3.15Å; S18-N81 VanDerWaalsContact N-ND2 3.12Å; S18-N81 PolarHBondContact OG-ND2 3.46Å; S18-N81 PolarHBondContact OG-OD1 3.07Å; S18-N81 VanDerWaalsContact OG-OD1 3.12Å; V21-N81 HydrophobicContact CG2-CB 4.11Å; S77-N81 WeakPolarHBondContact O-CB 3.46Å; S77-N81 PolarHBondContact O-N 3.41Å; F78-N81 PolarHBondContact O-N 3.3Å; N81-L84 PolarHBondContact O-N 3.24Å; N81-G85 PolarHBondContact O-N 3.11Å
82L96.3Very high93.8Very high83 Ų8350.6 Ų50.644%0.43527%0.272SS..Hα-helixtrans-61-47175.2-177.761.2000111.8F78 L79 G85 M86F78-L82 HydrophobicContact CE1-CD2 4.29Å; F78-L82 VanDerWaalsContact O-CB 3.26Å; F78-L82 WeakPolarHBondContact O-CB 3.23Å; F78-L82 PolarHBondContact O-N 3.06Å; L79-L82 PolarHBondContact O-N 3.06Å; L82-G85 PolarHBondContact O-N 3.02Å; L82-M86 HydrophobicContact CG-CE 3.96Å; L82-M86 WeakPolarHBondContact O-CG 3.26Å; L82-M86 PolarHBondContact O-N 2.89Å
83I94.5Very high93.1Very high16 Ų1652.4 Ų52.48%0.08228%0.282CS..Hα-helixtrans-64.2-42.5177.3-68.1168.2000111.2L79 L80 M86 K87 L98 F101 T102 L105L79-I83 HydrophobicContact CD1-CD1 3.87Å; L79-I83 HydrophobicContact CD1-CG1 4.32Å; L79-I83 HydrophobicContact CG-CD1 3.94Å; L79-I83 VanDerWaalsContact O-CG1 3.27Å; L79-I83 WeakPolarHBondContact O-CG1 3.23Å; L79-I83 PolarHBondContact O-N 3.36Å; L80-I83 PolarHBondContact O-N 3.2Å; I83-M86 HydrophobicContact CG1-CE 4.16Å; I83-M86 PolarHBondContact O-N 3.37Å; I83-K87 WeakPolarHBondContact O-CB 3.48Å; I83-K87 PolarHBondContact O-N 2.8Å; I83-L98 HydrophobicContact CG2-CD1 3.89Å; I83-L98 HydrophobicContact CG2-CG 4.33Å; I83-F101 HydrophobicContact CD1-CD1 4.29Å; I83-F101 HydrophobicContact CD1-CE1 3.74Å; I83-T102 HydrophobicContact CB-CG2 4.38Å; I83-T102 HydrophobicContact CG2-CG2 3.54Å; I83-L105 HydrophobicContact CD1-CD2 4.4Å
84L94.3Very high92.5Very high1 Ų154.4 Ų54.41%0.00529%0.292CS..Hα-helixtrans-63.8-41.4176.4-70.3172.1000111.5N13 I14 S17 L80 N81 K87 F88 T102N13-L84 WeakPolarHBondContact OD1-CD1 3.41Å; I14-L84 WeakPolarHBondContact CD1-O 3.28Å; I14-L84 HydrophobicContact CG1-CB 3.89Å; S17-L84 WeakPolarHBondContact OG-CD1 3.47Å; L80-L84 HydrophobicContact CD1-CD1 3.96Å; L80-L84 HydrophobicContact CD1-CG 4.31Å; L80-L84 HydrophobicContact CG-CD1 3.96Å; L80-L84 WeakPolarHBondContact O-CB 3.33Å; L80-L84 VanDerWaalsContact O-CG 3.27Å; L80-L84 WeakPolarHBondContact O-CG 3.45Å; L80-L84 PolarHBondContact O-N 3.25Å; N81-L84 PolarHBondContact O-N 3.24Å; L84-K87 VanDerWaalsContact CD2-NZ 3.32Å; L84-K87 WeakPolarHBondContact O-CB 3.24Å; L84-K87 PolarHBondContact O-N 2.84Å; L84-F88 PolarHBondContact O-N 3.47Å; L84-F88 VanDerWaalsContact O-N 3.1Å; L84-T102 HydrophobicContact CD2-CG2 4.03Å; L84-T102 HydrophobicContact CG-CG2 4.39Å
85G94.2Very high92Very high24 Ų2456.4 Ų56.425%0.24730%0.303CS..Hα-helixtrans-57.4-52.9172.900000112.6N81 L82 K87 F88 T89N81-G85 PolarHBondContact O-N 3.11Å; L82-G85 PolarHBondContact O-N 3.02Å; G85-K87 VanDerWaalsContact C-N 3.26Å; G85-K87 PolarHBondContact O-N 3.44Å; G85-F88 PolarHBondContact O-N 2.83Å; G85-T89 PolarHBondContact O-N 3.14Å; G85-T89 PolarHBondContact O-OG1 2.74Å
86M93.1Very high91.5Very high46 Ų4659.9 Ų59.923%0.22731%0.305CS..Hα-helixtrans-60.8-32.9177.1-68.7-175.7-65.400113.2L82 I83 F88 T89 Y90 L91 I92L82-M86 HydrophobicContact CG-CE 3.96Å; L82-M86 WeakPolarHBondContact O-CG 3.26Å; L82-M86 PolarHBondContact O-N 2.89Å; I83-M86 HydrophobicContact CG1-CE 4.16Å; I83-M86 PolarHBondContact O-N 3.37Å; M86-F88 VanDerWaalsContact C-N 3.33Å; M86-T89 PolarHBondContact O-OG1 3.05Å; M86-Y90 PolarHBondContact O-N 3.3Å; M86-L91 HydrophobicContact CB-CB 4.5Å; M86-L91 HydrophobicContact CG-CD2 4.25Å; M86-L91 PolarHBondContact O-N 2.89Å; M86-L91 HydrophobicContact SD-CD2 4.13Å; M86-I92 HydrophobicContact CB-CB 4.41Å; M86-I92 HydrophobicContact CB-CD1 3.88Å; M86-I92 HydrophobicContact CB-CG1 3.98Å; M86-I92 HydrophobicContact CE-CD1 3.56Å; M86-I92 HydrophobicContact CG-CD1 4.44Å; M86-I92 PolarHBondContact O-N 3.11Å; M86-I92 HydrophobicContact SD-CD1 3.75Å; M86-I92 HydrophobicContact SD-CG1 4.37Å
87K90.9Very high91.1Very high2 Ų262.4 Ų62.41%0.00933%0.326CS..Hα-helixtrans-67.3-31.3173.5-173.1-174.965.3169.60112.4I83 L84 G85 Q94 E161I83-K87 WeakPolarHBondContact O-CB 3.48Å; I83-K87 PolarHBondContact O-N 2.8Å; L84-K87 VanDerWaalsContact CD2-NZ 3.32Å; L84-K87 WeakPolarHBondContact O-CB 3.24Å; L84-K87 PolarHBondContact O-N 2.84Å; G85-K87 VanDerWaalsContact C-N 3.26Å; G85-K87 PolarHBondContact O-N 3.44Å; K87-Q94 HydrophobicContact CG-CG 3.96Å; K87-Q94 PolarHBondContact O-NE2 3.4Å; K87-E161 IonicContact NZ-OE1 3.2Å; K87-E161 PolarHBondContact NZ-OE1 3.17Å; K87-E161 IonicContact NZ-OE2 3.77Å; K87-E161 PolarHBondContact NZ-OE2 3.4Å
88F89.9Confident90.9Very high66 Ų6663.7 Ų63.729%0.28933%0.333SS..Hα-helixtrans-89.6-30.2-178.4177.5-89.8000113.6R7 Q10 I14 L84 G85 M86 Y90R7-F88 VanDerWaalsContact CZ-O 3.28Å; R7-F88 PolarHBondContact NH1-O 3.25Å; R7-F88 VanDerWaalsContact NH2-CE1 3.32Å; R7-F88 VanDerWaalsContact NH2-CZ 3.34Å; R7-F88 PolarHBondContact NH2-O 3.07Å; Q10-F88 HydrophobicContact CB-CD2 4.16Å; I14-F88 HydrophobicContact CD1-CB 3.22Å; I14-F88 HydrophobicContact CD1-CD1 3.98Å; I14-F88 HydrophobicContact CD1-CD2 3.92Å; I14-F88 HydrophobicContact CD1-CG 3.48Å; I14-F88 VanDerWaalsContact CD1-CG 3.48Å; L84-F88 PolarHBondContact O-N 3.47Å; L84-F88 VanDerWaalsContact O-N 3.1Å; G85-F88 PolarHBondContact O-N 2.83Å; M86-F88 VanDerWaalsContact C-N 3.33Å; F88-Y90 PolarHBondContact O-N 2.9Å
89T92.3Very high90.6Very high91 Ų9157.8 Ų57.856%0.55831%0.307SS*.THydrogen-bonded Turntrans-76.7-1.3167.857.40000112.9G85 M86 L91G85-T89 PolarHBondContact O-N 3.14Å; G85-T89 PolarHBondContact O-OG1 2.74Å; M86-T89 PolarHBondContact O-OG1 3.05Å; T89-L91 PolarHBondContact O-N 3.27Å
90Y86.1Confident90.4Very high152 Ų15258.2 Ų58.260%0.59631%0.309SS*.THydrogen-bonded Turntrans62.116.3-175.2-56.7-83.7000114.6R7 M86 F88 I92R7-Y90 PolarHBondContact NH1-OH 3.05Å; R7-Y90 VanDerWaalsContact NH1-OH 3.15Å; M86-Y90 PolarHBondContact O-N 3.3Å; F88-Y90 PolarHBondContact O-N 2.9Å; Y90-I92 VanDerWaalsContact C-N 3.29Å; Y90-I92 PolarHBondContact O-N 3.33Å
91L90.3Very high90.2Very high126 Ų12662.9 Ų62.966%0.6633%0.329SS*.SBendtrans-69.6-26.8177.7-169.2147.1000112.3M86 T89M86-L91 HydrophobicContact CB-CB 4.5Å; M86-L91 HydrophobicContact CG-CD2 4.25Å; M86-L91 PolarHBondContact O-N 2.89Å; M86-L91 HydrophobicContact SD-CD2 4.13Å; T89-L91 PolarHBondContact O-N 3.27Å
92I86.7Confident90.1Very high49 Ų4961.2 Ų61.225%0.25132%0.321SS..SBendtrans-116135.7171.5-67.5-178.5000110.2M86 Y90 Q94 L98M86-I92 HydrophobicContact CB-CB 4.41Å; M86-I92 HydrophobicContact CB-CD1 3.88Å; M86-I92 HydrophobicContact CB-CG1 3.98Å; M86-I92 HydrophobicContact CE-CD1 3.56Å; M86-I92 HydrophobicContact CG-CD1 4.44Å; M86-I92 PolarHBondContact O-N 3.11Å; M86-I92 HydrophobicContact SD-CD1 3.75Å; M86-I92 HydrophobicContact SD-CG1 4.37Å; Y90-I92 VanDerWaalsContact C-N 3.29Å; Y90-I92 PolarHBondContact O-N 3.33Å; I92-Q94 PolarHBondContact O-N 2.96Å; I92-L98 HydrophobicContact CG2-CD2 3.58Å
93P80.9Confident90.1Very high96 Ų9657.3 Ų57.362%0.62330%0.3SS*.  trans-62.3132.2178.924.8-35000112.5N95P93-N95 VanDerWaalsContact C-N 3.3Å; P93-N95 PolarHBondContact O-N 3.42Å
94Q81.2Confident90.2Very high42 Ų4261.4 Ų61.420%0.19632%0.321CS..  trans-77.969.8-176-57.2-163-700112.8Q10 K87 I92Q10-Q94 VanDerWaalsContact NE2-CD 3.31Å; K87-Q94 HydrophobicContact CG-CG 3.96Å; K87-Q94 PolarHBondContact O-NE2 3.4Å; I92-Q94 PolarHBondContact O-N 2.96Å
95N85.2Confident90.3Very high79 Ų7961.9 Ų61.942%0.42232%0.324SS..  trans-88.7160.9177.577.646.2000113.2P93 S97 L98 Q99P93-N95 VanDerWaalsContact C-N 3.3Å; P93-N95 PolarHBondContact O-N 3.42Å; N95-S97 VanDerWaalsContact C-N 3.32Å; N95-S97 PolarHBondContact O-N 3.17Å; N95-S97 WeakPolarHBondContact OD1-CA 3.19Å; N95-S97 WeakPolarHBondContact OD1-CB 3.41Å; N95-S97 PolarHBondContact OD1-N 3.46Å; N95-L98 PolarHBondContact O-N 3.41Å; N95-L98 PolarHBondContact OD1-N 3.32Å; N95-Q99 PolarHBondContact O-N 3Å
96K87.5Confident90.4Very high116 Ų11660.8 Ų60.850%0.50431%0.312SS..Hα-helixtrans-64.4-32.7-177.1-172.4169.5177.8164.70113.5Q99 L100 T166K96-Q99 PolarHBondContact O-N 2.9Å; K96-L100 PolarHBondContact O-N 2.95Å; K96-L100 VanDerWaalsContact O-N 3.11Å; K96-T166 PolarHBondContact NZ-OG1 3.29Å
97S88Confident90.6Very high88 Ų8861.6 Ų61.662%0.61532%0.315SS*.Hα-helixtrans-66.1-44.9178.1-171.80000111.3N95 Q99 L100 F101N95-S97 VanDerWaalsContact C-N 3.32Å; N95-S97 PolarHBondContact O-N 3.17Å; N95-S97 WeakPolarHBondContact OD1-CA 3.19Å; N95-S97 WeakPolarHBondContact OD1-CB 3.41Å; N95-S97 PolarHBondContact OD1-N 3.46Å; S97-Q99 VanDerWaalsContact C-N 3.33Å; S97-Q99 PolarHBondContact O-N 3.46Å; S97-L100 PolarHBondContact O-N 2.95Å; S97-F101 WeakPolarHBondContact O-CB 3.46Å; S97-F101 PolarHBondContact O-N 3.45Å
98L90.4Very high90.8Very high29 Ų2967 Ų6715%0.15234%0.338CS..Hα-helixtrans-61.6-40.1177-170.773.7000112I83 I92 N95 F101 T102I83-L98 HydrophobicContact CG2-CD1 3.89Å; I83-L98 HydrophobicContact CG2-CG 4.33Å; I92-L98 HydrophobicContact CG2-CD2 3.58Å; N95-L98 PolarHBondContact O-N 3.41Å; N95-L98 PolarHBondContact OD1-N 3.32Å; L98-F101 PolarHBondContact O-N 3.32Å; L98-T102 PolarHBondContact O-N 2.94Å; L98-T102 PolarHBondContact O-OG1 3.29Å; L98-T102 VanDerWaalsContact O-OG1 3.11Å
99Q90.9Very high91.1Very high0 Ų063.8 Ų63.80%032%0.324CS..Hα-helixtrans-64.1-44.4176.5-66.3174.7-45.500111.7N95 K96 S97 T102 A103 E161 C162N95-Q99 PolarHBondContact O-N 3Å; K96-Q99 PolarHBondContact O-N 2.9Å; S97-Q99 VanDerWaalsContact C-N 3.33Å; S97-Q99 PolarHBondContact O-N 3.46Å; Q99-T102 WeakPolarHBondContact CA-OG1 3.48Å; Q99-T102 PolarHBondContact O-N 2.57Å; Q99-T102 PolarHBondContact O-OG1 3Å; Q99-A103 PolarHBondContact O-N 3.29Å; Q99-E161 PolarHBondContact NE2-O 3.25Å; Q99-C162 HydrophobicContact CB-CB 4.09Å
100L92.2Very high91.3Very high82 Ų8259.6 Ų59.643%0.42930%0.299SS..Hα-helixtrans-64.1-41.9174.4-177.962.6000111.6K96 S97 A103 I104 L159K96-L100 PolarHBondContact O-N 2.95Å; K96-L100 VanDerWaalsContact O-N 3.11Å; S97-L100 PolarHBondContact O-N 2.95Å; L100-A103 WeakPolarHBondContact O-CB 3.23Å; L100-A103 PolarHBondContact O-N 3.05Å; L100-I104 HydrophobicContact CD1-CD1 4.23Å; L100-I104 HydrophobicContact CD1-CG1 4.44Å; L100-I104 HydrophobicContact CG-CD1 3.92Å; L100-I104 WeakPolarHBondContact O-CG1 3.44Å; L100-I104 PolarHBondContact O-N 3.46Å; L100-L159 HydrophobicContact CD1-CD2 4.32Å
101F93.3Very high91.8Very high98 Ų9857.8 Ų57.843%0.4330%0.298SS..Hα-helixtrans-60.3-46.8175.2-178.6-94.5000111.7I83 S97 L98 A103 I104 L105I83-F101 HydrophobicContact CD1-CD1 4.29Å; I83-F101 HydrophobicContact CD1-CE1 3.74Å; S97-F101 WeakPolarHBondContact O-CB 3.46Å; S97-F101 PolarHBondContact O-N 3.45Å; L98-F101 PolarHBondContact O-N 3.32Å; F101-A103 VanDerWaalsContact C-N 3.28Å; F101-A103 PolarHBondContact O-N 2.69Å; F101-I104 PolarHBondContact O-N 3.42Å; F101-L105 HydrophobicContact CE1-CD2 4.05Å; F101-L105 VanDerWaalsContact O-CB 3.24Å; F101-L105 WeakPolarHBondContact O-CB 3.44Å; F101-L105 PolarHBondContact O-N 3.35Å
102T94.6Very high92.1Very high0 Ų053.7 Ų53.70%028%0.277CS..Hα-helixtrans-61.5-36.1174.947.30000112.5L80 I83 L84 L98 Q99 S106L80-T102 HydrophobicContact CD1-CG2 4.29Å; I83-T102 HydrophobicContact CB-CG2 4.38Å; I83-T102 HydrophobicContact CG2-CG2 3.54Å; L84-T102 HydrophobicContact CD2-CG2 4.03Å; L84-T102 HydrophobicContact CG-CG2 4.39Å; L98-T102 PolarHBondContact O-N 2.94Å; L98-T102 PolarHBondContact O-OG1 3.29Å; L98-T102 VanDerWaalsContact O-OG1 3.11Å; Q99-T102 WeakPolarHBondContact CA-OG1 3.48Å; Q99-T102 PolarHBondContact O-N 2.57Å; Q99-T102 PolarHBondContact O-OG1 3Å; T102-S106 WeakPolarHBondContact O-CB 2.95Å; T102-S106 PolarHBondContact O-N 3.1Å; T102-S106 PolarHBondContact O-OG 2.67Å; T102-S106 VanDerWaalsContact O-OG 3.06Å
103A96.1Very high92.5Very high1 Ų151.5 Ų51.51%0.00827%0.266CS..Hα-helixtrans-65.7-51.2175.200000111.6Q99 L100 F101 L105 S106 F107 L159Q99-A103 PolarHBondContact O-N 3.29Å; L100-A103 WeakPolarHBondContact O-CB 3.23Å; L100-A103 PolarHBondContact O-N 3.05Å; F101-A103 VanDerWaalsContact C-N 3.28Å; F101-A103 PolarHBondContact O-N 2.69Å; A103-L105 VanDerWaalsContact C-N 3.35Å; A103-L105 PolarHBondContact O-N 2.97Å; A103-S106 PolarHBondContact O-N 3.01Å; A103-S106 PolarHBondContact O-OG 2.91Å; A103-F107 HydrophobicContact CB-CD2 4.5Å; A103-F107 HydrophobicContact CB-CE2 4.36Å; A103-F107 WeakPolarHBondContact O-CD2 3.43Å; A103-F107 PolarHBondContact O-N 3.42Å; A103-L159 HydrophobicContact CB-CD2 3.78Å; A103-L159 HydrophobicContact CB-CG 3.89Å
104I95.9Very high93.2Very high101 Ų10150.6 Ų50.652%0.51826%0.255SS..Hα-helixtrans-57-48.1177.2-68.1166.8000110.6L100 F101 S106 F107 F108L100-I104 HydrophobicContact CD1-CD1 4.23Å; L100-I104 HydrophobicContact CD1-CG1 4.44Å; L100-I104 HydrophobicContact CG-CD1 3.92Å; L100-I104 WeakPolarHBondContact O-CG1 3.44Å; L100-I104 PolarHBondContact O-N 3.46Å; F101-I104 PolarHBondContact O-N 3.42Å; I104-S106 PolarHBondContact O-N 3.31Å; I104-F107 PolarHBondContact O-N 2.88Å; I104-F108 WeakPolarHBondContact O-CB 3.27Å; I104-F108 PolarHBondContact O-N 2.68Å
105L96.1Very high93.8Very high12 Ų1256.1 Ų56.16%0.06327%0.274CS..Hα-helixtrans-58.3-44.717918060.5000111.9L76 L79 L80 I83 F101 A103 S109L76-L105 HydrophobicContact CB-CD1 4.26Å; L76-L105 HydrophobicContact CD2-CD1 3.62Å; L79-L105 HydrophobicContact CD2-CD2 4.26Å; L79-L105 HydrophobicContact CG-CD2 4.16Å; L80-L105 HydrophobicContact CB-CD2 3.85Å; L80-L105 HydrophobicContact CB-CG 4.2Å; L80-L105 HydrophobicContact CD1-CB 4.47Å; L80-L105 HydrophobicContact CD1-CD2 4.12Å; L80-L105 HydrophobicContact CD1-CG 4.32Å; I83-L105 HydrophobicContact CD1-CD2 4.4Å; F101-L105 HydrophobicContact CE1-CD2 4.05Å; F101-L105 VanDerWaalsContact O-CB 3.24Å; F101-L105 WeakPolarHBondContact O-CB 3.44Å; F101-L105 PolarHBondContact O-N 3.35Å; A103-L105 VanDerWaalsContact C-N 3.35Å; A103-L105 PolarHBondContact O-N 2.97Å; L105-S109 WeakPolarHBondContact O-CB 3.36Å; L105-S109 PolarHBondContact O-N 3.22Å; L105-S109 PolarHBondContact O-OG 3.47Å
106S96.6Very high94.2Very high0 Ų052.4 Ų52.40%026%0.255CS..Hα-helixtrans-68-44.217862.60000113.7T102 A103 I104 S109 G110 G155T102-S106 WeakPolarHBondContact O-CB 2.95Å; T102-S106 PolarHBondContact O-N 3.1Å; T102-S106 PolarHBondContact O-OG 2.67Å; T102-S106 VanDerWaalsContact O-OG 3.06Å; A103-S106 PolarHBondContact O-N 3.01Å; A103-S106 PolarHBondContact O-OG 2.91Å; I104-S106 PolarHBondContact O-N 3.31Å; S106-S109 PolarHBondContact O-N 3.19Å; S106-G110 PolarHBondContact O-N 3.13Å; S106-G155 WeakPolarHBondContact OG-CA 3.07Å; S106-G155 PolarHBondContact OG-N 2.7Å; S106-G155 VanDerWaalsContact OG-N 3.15Å
107F96.9Very high94.5Very high64 Ų6447 Ų4728%0.28123%0.232SC..Hα-helixtrans-66.9-42.5177.2-71.4-57.7000111.9A103 I104 S109 G110 I111 S152 G155 I156 L159A103-F107 HydrophobicContact CB-CD2 4.5Å; A103-F107 HydrophobicContact CB-CE2 4.36Å; A103-F107 WeakPolarHBondContact O-CD2 3.43Å; A103-F107 PolarHBondContact O-N 3.42Å; I104-F107 PolarHBondContact O-N 2.88Å; F107-S109 PolarHBondContact O-N 3.38Å; F107-G110 PolarHBondContact O-N 3.17Å; F107-I111 WeakPolarHBondContact O-CB 3.36Å; F107-I111 VanDerWaalsContact O-CG1 3.26Å; F107-I111 WeakPolarHBondContact O-CG1 3.21Å; F107-I111 PolarHBondContact O-N 2.86Å; F107-S152 WeakPolarHBondContact CE1-O 3.42Å; F107-G155 VanDerWaalsContact CZ-C 3.41Å; F107-I156 HydrophobicContact CE1-CG1 4.35Å; F107-I156 HydrophobicContact CZ-CG1 4.07Å; F107-L159 HydrophobicContact CE2-CD1 3.79Å; F107-L159 HydrophobicContact CE2-CG 4.27Å; F107-L159 HydrophobicContact CZ-CD1 4.22Å
108F96.1Very high94.7Very high114 Ų11447 Ų4750%0.522%0.223SC..Hα-helixtrans-59.9-45.3175.3-179.2-113.3000111.5L76 I104 G110 I111 L112L76-F108 HydrophobicContact CD1-CD1 4.18Å; L76-F108 HydrophobicContact CD1-CE1 4.13Å; I104-F108 WeakPolarHBondContact O-CB 3.27Å; I104-F108 PolarHBondContact O-N 2.68Å; F108-G110 PolarHBondContact O-N 3.33Å; F108-I111 PolarHBondContact O-N 3.13Å; F108-L112 HydrophobicContact CD1-CD1 3.94Å; F108-L112 HydrophobicContact CE1-CD1 3.48Å; F108-L112 VanDerWaalsContact CE1-CD1 3.48Å; F108-L112 HydrophobicContact CE1-CG 4.31Å; F108-L112 HydrophobicContact CE2-CD1 4.27Å; F108-L112 HydrophobicContact CE2-CD2 4.49Å; F108-L112 HydrophobicContact CE2-CG 4.27Å; F108-L112 HydrophobicContact CZ-CD1 3.67Å; F108-L112 HydrophobicContact CZ-CD2 4.4Å; F108-L112 HydrophobicContact CZ-CG 4.15Å; F108-L112 WeakPolarHBondContact O-CB 3.48Å; F108-L112 WeakPolarHBondContact O-CG 3.22Å; F108-L112 PolarHBondContact O-N 3.46Å
109S96.4Very high94.8Very high0 Ų048.4 Ų48.40%023%0.23CC..Hα-helixtrans-62-40.9175.3-55.20000112.3L76 L105 S106 F107 L112 L113L76-S109 WeakPolarHBondContact CB-OG 3.43Å; L105-S109 WeakPolarHBondContact O-CB 3.36Å; L105-S109 PolarHBondContact O-N 3.22Å; L105-S109 PolarHBondContact O-OG 3.47Å; S106-S109 PolarHBondContact O-N 3.19Å; F107-S109 PolarHBondContact O-N 3.38Å; S109-L112 PolarHBondContact O-N 3.35Å; S109-L113 WeakPolarHBondContact O-CB 3.38Å; S109-L113 PolarHBondContact O-N 2.94Å
110G96.5Very high94.7Very high3 Ų348.5 Ų48.53%0.03123%0.23CC..Hα-helixtrans-66.3-40.8177.500000113S106 F107 F108 L113 L114S106-G110 PolarHBondContact O-N 3.13Å; F107-G110 PolarHBondContact O-N 3.17Å; F108-G110 PolarHBondContact O-N 3.33Å; G110-L113 PolarHBondContact O-N 2.67Å; G110-L114 WeakPolarHBondContact O-CB 3.46Å; G110-L114 PolarHBondContact O-N 3Å
111I96.3Very high94.6Very high113 Ų11347 Ų4758%0.57922%0.221SC*.Hα-helixtrans-67-43.8175.6-68.1163.8000110.8F107 F108 L113 L114 W115F107-I111 WeakPolarHBondContact O-CB 3.36Å; F107-I111 VanDerWaalsContact O-CG1 3.26Å; F107-I111 WeakPolarHBondContact O-CG1 3.21Å; F107-I111 PolarHBondContact O-N 2.86Å; F108-I111 PolarHBondContact O-N 3.13Å; I111-L113 VanDerWaalsContact C-N 3.33Å; I111-L113 PolarHBondContact O-N 3.42Å; I111-L114 PolarHBondContact O-N 2.86Å; I111-W115 WeakPolarHBondContact O-CB 3.47Å; I111-W115 PolarHBondContact O-N 2.86Å
112L95.5Very high94.3Very high40 Ų4046.6 Ų46.621%0.20922%0.224CC..Hα-helixtrans-60.5-41.6174.1-75.5178.9000111.9I73 L76 F108 S109 W115 A116I73-L112 HydrophobicContact CD1-CB 4.2Å; I73-L112 HydrophobicContact CG1-CB 3.96Å; L76-L112 HydrophobicContact CD1-CD1 3.8Å; F108-L112 HydrophobicContact CD1-CD1 3.94Å; F108-L112 HydrophobicContact CE1-CD1 3.48Å; F108-L112 VanDerWaalsContact CE1-CD1 3.48Å; F108-L112 HydrophobicContact CE1-CG 4.31Å; F108-L112 HydrophobicContact CE2-CD1 4.27Å; F108-L112 HydrophobicContact CE2-CD2 4.49Å; F108-L112 HydrophobicContact CE2-CG 4.27Å; F108-L112 HydrophobicContact CZ-CD1 3.67Å; F108-L112 HydrophobicContact CZ-CD2 4.4Å; F108-L112 HydrophobicContact CZ-CG 4.15Å; F108-L112 WeakPolarHBondContact O-CB 3.48Å; F108-L112 WeakPolarHBondContact O-CG 3.22Å; F108-L112 PolarHBondContact O-N 3.46Å; S109-L112 PolarHBondContact O-N 3.35Å; L112-W115 PolarHBondContact O-N 2.88Å; L112-A116 WeakPolarHBondContact O-CB 3.46Å; L112-A116 PolarHBondContact O-N 3.24Å
113L95.6Very high93.9Very high3 Ų349.5 Ų49.52%0.01624%0.236CC..Hα-helixtrans-66-45.5177.5-178.958.3000111.8I73 S109 G110 I111 W115 A116 L117 A144 N147 V148 L151I73-L113 VanDerWaalsContact CD1-CA 3.41Å; I73-L113 HydrophobicContact CD1-CB 3.82Å; I73-L113 HydrophobicContact CD1-CD1 4.01Å; I73-L113 HydrophobicContact CG1-CB 4.35Å; I73-L113 HydrophobicContact CG2-CB 4.18Å; I73-L113 HydrophobicContact CG2-CD1 4.39Å; I73-L113 HydrophobicContact CG2-CD2 4.46Å; S109-L113 WeakPolarHBondContact O-CB 3.38Å; S109-L113 PolarHBondContact O-N 2.94Å; G110-L113 PolarHBondContact O-N 2.67Å; I111-L113 VanDerWaalsContact C-N 3.33Å; I111-L113 PolarHBondContact O-N 3.42Å; L113-W115 VanDerWaalsContact C-N 3.28Å; L113-W115 PolarHBondContact O-N 3.38Å; L113-A116 PolarHBondContact O-N 3.41Å; L113-L117 HydrophobicContact CD1-CD1 4.1Å; L113-L117 HydrophobicContact CD1-CG 4.15Å; L113-L117 HydrophobicContact CG-CD1 4.03Å; L113-L117 WeakPolarHBondContact O-CB 3.35Å; L113-L117 WeakPolarHBondContact O-CG 3.44Å; L113-L117 PolarHBondContact O-N 3.25Å; L113-A144 WeakPolarHBondContact CD2-O 3.26Å; L113-N147 HydrophobicContact CD2-CB 3.57Å; L113-V148 HydrophobicContact CB-CG2 4.02Å; L113-V148 HydrophobicContact CD2-CG2 3.8Å; L113-V148 HydrophobicContact CG-CG2 3.67Å; L113-L151 HydrophobicContact CD2-CD1 4.21Å
114L95.8Very high93.3Very high77 Ų7749.7 Ų49.740%0.40324%0.237SC..Hα-helixtrans-58.9-42.1173.9-175.660.3000111.5G110 I111 L117 M118 Y145 V148G110-L114 WeakPolarHBondContact O-CB 3.46Å; G110-L114 PolarHBondContact O-N 3Å; I111-L114 PolarHBondContact O-N 2.86Å; L114-L117 PolarHBondContact O-N 3.42Å; L114-M118 HydrophobicContact CD1-CG 4.36Å; L114-M118 WeakPolarHBondContact O-CB 3.48Å; L114-M118 WeakPolarHBondContact O-CG 3.42Å; L114-M118 PolarHBondContact O-N 3.32Å; L114-Y145 HydrophobicContact CD1-CE1 4.32Å; L114-V148 HydrophobicContact CB-CG1 4.11Å; L114-V148 HydrophobicContact CB-CG2 4.2Å
115W94.8Very high92.8Very high158 Ų15850.1 Ų50.160%0.59824%0.235SC*.Hα-helixtrans-63.3-45.4176.6-171.1-80.7000112.3I111 L112 L113 L117 M118 L119I111-W115 WeakPolarHBondContact O-CB 3.47Å; I111-W115 PolarHBondContact O-N 2.86Å; L112-W115 PolarHBondContact O-N 2.88Å; L113-W115 VanDerWaalsContact C-N 3.28Å; L113-W115 PolarHBondContact O-N 3.38Å; W115-L117 PolarHBondContact O-N 2.96Å; W115-M118 PolarHBondContact O-N 2.97Å; W115-L119 WeakPolarHBondContact O-CG 3.2Å; W115-L119 PolarHBondContact O-N 2.91Å
116A93.4Very high92.1Very high2 Ų255.2 Ų55.22%0.01726%0.258CS..Hα-helixtrans-61.8-41.517700000112.2M69 I73 L112 L113 L119 Y120M69-A116 HydrophobicContact CB-CB 3.93Å; M69-A116 HydrophobicContact SD-CB 4.26Å; I73-A116 HydrophobicContact CD1-CB 4.23Å; L112-A116 WeakPolarHBondContact O-CB 3.46Å; L112-A116 PolarHBondContact O-N 3.24Å; L113-A116 PolarHBondContact O-N 3.41Å; A116-L119 PolarHBondContact O-N 2.97Å; A116-Y120 WeakPolarHBondContact O-CB 3.49Å; A116-Y120 PolarHBondContact O-N 3.06Å
117L93.4Very high91.2Very high3 Ų355.3 Ų55.32%0.01626%0.259CS..Hα-helixtrans-66.7-40.3176.1-65.9170.2000112.1W33 L113 L114 W115 Y120 H121 M141 A144 Y145 V148W33-L117 HydrophobicContact CH2-CD2 4.23Å; W33-L117 HydrophobicContact CZ3-CD2 3.68Å; L113-L117 HydrophobicContact CD1-CD1 4.1Å; L113-L117 HydrophobicContact CD1-CG 4.15Å; L113-L117 HydrophobicContact CG-CD1 4.03Å; L113-L117 WeakPolarHBondContact O-CB 3.35Å; L113-L117 WeakPolarHBondContact O-CG 3.44Å; L113-L117 PolarHBondContact O-N 3.25Å; L114-L117 PolarHBondContact O-N 3.42Å; W115-L117 PolarHBondContact O-N 2.96Å; L117-Y120 PolarHBondContact O-N 2.98Å; L117-H121 WeakPolarHBondContact O-CB 3.49Å; L117-H121 PolarHBondContact O-N 2.77Å; L117-M141 HydrophobicContact CB-CE 4.02Å; L117-M141 HydrophobicContact CD2-CE 3.64Å; L117-M141 HydrophobicContact CD2-SD 3.72Å; L117-M141 HydrophobicContact CG-CE 4.4Å; L117-A144 HydrophobicContact CD1-CB 3.92Å; L117-A144 HydrophobicContact CD2-CB 3.61Å; L117-A144 HydrophobicContact CG-CB 4.38Å; L117-Y145 HydrophobicContact CB-CE1 4.03Å; L117-Y145 HydrophobicContact CD1-CD1 3.8Å; L117-Y145 HydrophobicContact CD1-CE1 3.93Å; L117-Y145 HydrophobicContact CD1-CG 4.22Å; L117-V148 HydrophobicContact CD1-CG2 4.09Å
118M92.8Very high90.3Very high88 Ų8855.4 Ų55.443%0.43326%0.261SS..Hα-helixtrans-68.2-37175.2-70-65.5-63.700112.3L114 W115 N122L114-M118 HydrophobicContact CD1-CG 4.36Å; L114-M118 WeakPolarHBondContact O-CB 3.48Å; L114-M118 WeakPolarHBondContact O-CG 3.42Å; L114-M118 PolarHBondContact O-N 3.32Å; W115-M118 PolarHBondContact O-N 2.97Å; M118-N122 VanDerWaalsContact O-CB 3.26Å; M118-N122 WeakPolarHBondContact O-CB 3.24Å; M118-N122 PolarHBondContact O-N 3.44Å; M118-N122 PolarHBondContact O-ND2 3.3Å
119L91.1Very high89.1Confident57 Ų5757.7 Ų57.730%0.29827%0.271SS..Hα-helixtrans-62.4-47.9171.1-76.3-178.4000111.3V65 V66 M69 W115 A116 H121 N122 K123V65-L119 HydrophobicContact CG1-CD1 4.36Å; V66-L119 HydrophobicContact CG2-CB 4.23Å; M69-L119 HydrophobicContact CE-CD1 4.04Å; M69-L119 HydrophobicContact SD-CD1 3.83Å; W115-L119 WeakPolarHBondContact O-CG 3.2Å; W115-L119 PolarHBondContact O-N 2.91Å; A116-L119 PolarHBondContact O-N 2.97Å; L119-H121 PolarHBondContact O-N 3.06Å; L119-N122 PolarHBondContact O-N 3.08Å; L119-K123 WeakPolarHBondContact O-CG 3.29Å; L119-K123 PolarHBondContact O-N 3.48Å
120Y89.9Confident88Confident2 Ų262 Ų621%0.00830%0.297CS..Hα-helixtrans-61.4-44.2178.3-174.8-122.2000111.8W33 V34 H47 P49 L63 A116 L117 K123 L124 M141W33-Y120 HydrophobicContact CB-CE1 4.3Å; W33-Y120 HydrophobicContact CE3-CD1 4.24Å; W33-Y120 AromaticContact CE3-CE1 3.95Å; W33-Y120 HydrophobicContact CE3-CE1 3.95Å; V34-Y120 HydrophobicContact CG2-CE1 4.21Å; H47-Y120 PolarHBondContact ND1-OH 3.11Å; H47-Y120 PolarHBondContact O-OH 2.7Å; P49-Y120 HydrophobicContact CG-CD2 4.08Å; P49-Y120 HydrophobicContact CG-CE1 4.33Å; P49-Y120 HydrophobicContact CG-CE2 3.84Å; P49-Y120 HydrophobicContact CG-CG 4.44Å; L63-Y120 HydrophobicContact CD2-CD2 3.84Å; L63-Y120 HydrophobicContact CD2-CE2 3.95Å; A116-Y120 WeakPolarHBondContact O-CB 3.49Å; A116-Y120 PolarHBondContact O-N 3.06Å; L117-Y120 PolarHBondContact O-N 2.98Å; Y120-K123 PolarHBondContact O-N 2.95Å; Y120-L124 HydrophobicContact CD1-CD1 3.85Å; Y120-L124 HydrophobicContact CE1-CD1 3.63Å; Y120-L124 HydrophobicContact CE1-CG 4.42Å; Y120-L124 HydrophobicContact CE2-CD1 4.45Å; Y120-L124 HydrophobicContact CE2-CG 4.41Å; Y120-L124 HydrophobicContact CG-CD1 4.36Å; Y120-L124 WeakPolarHBondContact O-CG 3.49Å; Y120-L124 PolarHBondContact O-N 3.2Å; Y120-M141 HydrophobicContact CD1-CE 4.18Å; Y120-M141 HydrophobicContact CD1-SD 4.04Å; Y120-M141 HydrophobicContact CE1-SD 4.35Å
121H88.9Confident86.8Confident50 Ų5065.9 Ų65.923%0.23131%0.314CS..Hα-helixtrans-64.8-41.6176.1-173.678.8000112.9L117 L119 K123 L124 K125 Y135L117-H121 WeakPolarHBondContact O-CB 3.49Å; L117-H121 PolarHBondContact O-N 2.77Å; L119-H121 PolarHBondContact O-N 3.06Å; H121-K123 VanDerWaalsContact C-N 3.33Å; H121-K123 PolarHBondContact O-N 3.29Å; H121-L124 PolarHBondContact O-N 3.34Å; H121-K125 WeakPolarHBondContact O-CB 3.46Å; H121-K125 PolarHBondContact O-N 2.73Å; H121-Y135 PolarHBondContact CE1-OH 2.93Å
122N88.6Confident85.8Confident91 Ų9161 Ų6149%0.48729%0.289SS..Hα-helixtrans-65-36.4174.8-77.5-18.6000112.1M118 L119 H126M118-N122 VanDerWaalsContact O-CB 3.26Å; M118-N122 WeakPolarHBondContact O-CB 3.24Å; M118-N122 PolarHBondContact O-N 3.44Å; M118-N122 PolarHBondContact O-ND2 3.3Å; L119-N122 PolarHBondContact O-N 3.08Å; N122-H126 PolarHBondContact O-N 3.29Å; N122-H126 VanDerWaalsContact O-N 3.09Å
123K85.2Confident84.9Confident61 Ų6161.8 Ų61.827%0.26530%0.297SS..Hα-helixtrans-62.9-58.1171-75.2-63.1-172.8-178.90110.4W58 D62 L119 Y120 H121 K125 H126 G127W58-K123 HydrophobicContact CH2-CB 4.33Å; W58-K123 WeakPolarHBondContact CH2-O 3.47Å; W58-K123 HydrophobicContact CZ2-CB 3.83Å; W58-K123 HydrophobicContact CZ2-CD 4.21Å; D62-K123 HydrophobicContact CB-CD 4.42Å; D62-K123 WeakPolarHBondContact OD1-CE 3.38Å; D62-K123 IonicContact OD1-NZ 2.67Å; D62-K123 PolarHBondContact OD1-NZ 3.21Å; D62-K123 WeakPolarHBondContact OD2-CE 3.49Å; D62-K123 IonicContact OD2-NZ 2.67Å; D62-K123 PolarHBondContact OD2-NZ 2.95Å; L119-K123 WeakPolarHBondContact O-CG 3.29Å; L119-K123 PolarHBondContact O-N 3.48Å; Y120-K123 PolarHBondContact O-N 2.95Å; H121-K123 VanDerWaalsContact C-N 3.33Å; H121-K123 PolarHBondContact O-N 3.29Å; K123-K125 VanDerWaalsContact C-N 3.26Å; K123-K125 PolarHBondContact O-N 3.49Å; K123-K125 VanDerWaalsContact O-N 3.17Å; K123-H126 WeakPolarHBondContact O-CA 3.49Å; K123-H126 WeakPolarHBondContact O-CB 3.49Å; K123-H126 PolarHBondContact O-N 2.96Å; K123-G127 PolarHBondContact O-N 2.88Å
124L84.1Confident84.2Confident4 Ų464.1 Ų64.12%0.02131%0.314CS..Hα-helixtrans-48-47.5177-72.5165.1000112.7V34 L36 Y120 H121 H126 G127 Q128 F132 Y135V34-L124 HydrophobicContact CG1-CD2 4.38Å; V34-L124 HydrophobicContact CG2-CD1 3.76Å; L36-L124 HydrophobicContact CD2-CD2 4.22Å; Y120-L124 HydrophobicContact CD1-CD1 3.85Å; Y120-L124 HydrophobicContact CE1-CD1 3.63Å; Y120-L124 HydrophobicContact CE1-CG 4.42Å; Y120-L124 HydrophobicContact CE2-CD1 4.45Å; Y120-L124 HydrophobicContact CE2-CG 4.41Å; Y120-L124 HydrophobicContact CG-CD1 4.36Å; Y120-L124 WeakPolarHBondContact O-CG 3.49Å; Y120-L124 PolarHBondContact O-N 3.2Å; H121-L124 PolarHBondContact O-N 3.34Å; L124-H126 VanDerWaalsContact C-N 3.33Å; L124-H126 PolarHBondContact O-N 3.24Å; L124-G127 PolarHBondContact O-N 2.87Å; L124-Q128 PolarHBondContact O-N 2.91Å; L124-F132 WeakPolarHBondContact O-CZ 3.47Å; L124-Y135 HydrophobicContact CB-CE2 4.49Å; L124-Y135 HydrophobicContact CD1-CE2 4.49Å
125K85.1Confident83.6Confident111 Ų11162.4 Ų62.448%0.48330%0.302SS..Hα-helixtrans-61.9-36.1176.7-177.5174.5179.2178.90113.2H121 K123 F129H121-K125 WeakPolarHBondContact O-CB 3.46Å; H121-K125 PolarHBondContact O-N 2.73Å; K123-K125 VanDerWaalsContact C-N 3.26Å; K123-K125 PolarHBondContact O-N 3.49Å; K123-K125 VanDerWaalsContact O-N 3.17Å; K125-F129 HydrophobicContact CG-CE2 4.27Å; K125-F129 WeakPolarHBondContact O-CD2 3.46Å; K125-F129 VanDerWaalsContact O-CE2 3.26Å; K125-F129 WeakPolarHBondContact O-CE2 3.45Å
126H82.1Confident83.2Confident118 Ų11862.2 Ų62.255%0.54630%0.301SS..Hα-helixtrans-67.5-45.8176.5-175.851.4000111.6N122 K123 L124 Q128 F129N122-H126 PolarHBondContact O-N 3.29Å; N122-H126 VanDerWaalsContact O-N 3.09Å; K123-H126 WeakPolarHBondContact O-CA 3.49Å; K123-H126 WeakPolarHBondContact O-CB 3.49Å; K123-H126 PolarHBondContact O-N 2.96Å; L124-H126 VanDerWaalsContact C-N 3.33Å; L124-H126 PolarHBondContact O-N 3.24Å; H126-Q128 VanDerWaalsContact C-N 3.3Å; H126-Q128 PolarHBondContact O-N 2.94Å; H126-F129 PolarHBondContact O-N 3.49Å; H126-F129 VanDerWaalsContact O-N 3.13Å
127G77.1Confident82.9Confident2 Ų265.3 Ų65.32%0.02132%0.317CS..Hα-helixtrans-72.8-18.8-179.600000114.4K123 L124 F129 V130 H131K123-G127 PolarHBondContact O-N 2.88Å; L124-G127 PolarHBondContact O-N 2.87Å; G127-F129 PolarHBondContact O-N 2.83Å; G127-V130 PolarHBondContact O-N 3.46Å; G127-H131 PolarHBondContact O-N 3.41Å
128Q78.6Confident82.7Confident67 Ų6766.4 Ų66.431%0.31332%0.324SS..THydrogen-bonded Turntrans-59.2-25.7167.8-164.8-174.8-4.400112.3L124 H126 V130 F132 S133 Y135L124-Q128 PolarHBondContact O-N 2.91Å; H126-Q128 VanDerWaalsContact C-N 3.3Å; H126-Q128 PolarHBondContact O-N 2.94Å; Q128-V130 VanDerWaalsContact C-N 3.3Å; Q128-F132 CarbonylContact C-O 3.58Å; Q128-F132 WeakPolarHBondContact CA-O 3.48Å; Q128-F132 HydrophobicContact CB-CD2 4.15Å; Q128-F132 HydrophobicContact CB-CE2 3.71Å; Q128-F132 HydrophobicContact CB-CZ 4.44Å; Q128-F132 HydrophobicContact CG-CD2 4.14Å; Q128-F132 HydrophobicContact CG-CE2 4.1Å; Q128-F132 WeakPolarHBondContact CG-O 3.34Å; Q128-S133 PolarHBondContact NE2-O 3.48Å; Q128-Y135 HydrophobicContact CG-CD1 4.49Å
129F70.3Confident82.5Confident162 Ų16268.6 Ų68.671%0.71133%0.327SS*.THydrogen-bonded Turntrans-84.92.4174.6-61.4-76.6000113.9K125 H126 G127K125-F129 HydrophobicContact CG-CE2 4.27Å; K125-F129 WeakPolarHBondContact O-CD2 3.46Å; K125-F129 VanDerWaalsContact O-CE2 3.26Å; K125-F129 WeakPolarHBondContact O-CE2 3.45Å; H126-F129 PolarHBondContact O-N 3.49Å; H126-F129 VanDerWaalsContact O-N 3.13Å; G127-F129 PolarHBondContact O-N 2.83Å
130V73.4Confident82.4Confident90 Ų9065.9 Ų65.955%0.54531%0.313SS..THydrogen-bonded Turntrans-139.3-30.6-167.8-1650000114.1G127 Q128G127-V130 PolarHBondContact O-N 3.46Å; Q128-V130 VanDerWaalsContact C-N 3.3Å
131H70.8Confident82.3Confident84 Ų8465.9 Ų65.939%0.38931%0.313SS..THydrogen-bonded Turntrans-136.1-16.5-164.9-60.4-50.2000116.1V57 G127V57-H131 HydrophobicContact CG1-CB 4.36Å; V57-H131 PolarHBondContact O-CD2 3.5Å; V57-H131 VanDerWaalsContact O-CD2 3.24Å; G127-H131 PolarHBondContact O-N 3.41Å
132F74.7Confident82.4Confident12 Ų1267.9 Ų67.95%0.05333%0.326CS..  trans-161.4142.9-179.848-95.8000112.3L36 V57 W58 L124 Q128 S134 Y135L36-F132 HydrophobicContact CD1-CD1 4.29Å; L36-F132 HydrophobicContact CD1-CE1 4.31Å; L36-F132 HydrophobicContact CD2-CD1 4.17Å; L36-F132 HydrophobicContact CD2-CD2 4.13Å; L36-F132 HydrophobicContact CD2-CE1 3.91Å; L36-F132 HydrophobicContact CD2-CE2 3.88Å; L36-F132 HydrophobicContact CD2-CG 4.29Å; L36-F132 HydrophobicContact CD2-CZ 3.76Å; V57-F132 HydrophobicContact CG1-CD1 4.4Å; W58-F132 HydrophobicContact CE3-CE1 4.2Å; W58-F132 AromaticContact CZ3-CE1 3.85Å; W58-F132 HydrophobicContact CZ3-CE1 3.85Å; W58-F132 HydrophobicContact CZ3-CZ 4.14Å; L124-F132 WeakPolarHBondContact O-CZ 3.47Å; Q128-F132 CarbonylContact C-O 3.58Å; Q128-F132 WeakPolarHBondContact CA-O 3.48Å; Q128-F132 HydrophobicContact CB-CD2 4.15Å; Q128-F132 HydrophobicContact CB-CE2 3.71Å; Q128-F132 HydrophobicContact CB-CZ 4.44Å; Q128-F132 HydrophobicContact CG-CD2 4.14Å; Q128-F132 HydrophobicContact CG-CE2 4.1Å; Q128-F132 WeakPolarHBondContact CG-O 3.34Å; F132-S134 PolarHBondContact O-N 3.35Å; F132-Y135 AromaticContact CE2-CD1 3.93Å; F132-Y135 HydrophobicContact CE2-CD1 3.93Å; F132-Y135 HydrophobicContact CE2-CG 4.36Å
133S76.9Confident82.6Confident55 Ų5564.6 Ų64.639%0.38531%0.309SS..SBendtrans-62.8-40.3-176.9-136.70000113.3I37 E39 Q128I37-S133 PolarHBondContact O-N 2.83Å; E39-S133 WeakPolarHBondContact CG-OG 3.26Å; E39-S133 VanDerWaalsContact OE1-CB 3.31Å; E39-S133 WeakPolarHBondContact OE1-CB 3.25Å; E39-S133 PolarHBondContact OE1-OG 3.38Å; Q128-S133 PolarHBondContact NE2-O 3.48Å
134S81.5Confident82.9Confident52 Ų5262 Ų6236%0.36430%0.299SS..EExtended strand (participates in β ladder)trans-156.8162.6-170-169.10000111.7I37 F132I37-S134 PolarHBondContact N-O 2.89Å; F132-S134 PolarHBondContact O-N 3.35Å
135Y83.4Confident83.4Confident41 Ų4165.5 Ų65.516%0.16131%0.312CS..EExtended strand (participates in β ladder)trans-145.1149.4175.871-85.6000111.1V34 E35 H121 L124 Q128 F132 I137V34-Y135 HydrophobicContact CG1-CD2 3.74Å; V34-Y135 HydrophobicContact CG1-CG 4.14Å; E35-Y135 CarbonylContact O-C 3.16Å; E35-Y135 WeakPolarHBondContact O-CA 3.37Å; H121-Y135 PolarHBondContact CE1-OH 2.93Å; L124-Y135 HydrophobicContact CB-CE2 4.49Å; L124-Y135 HydrophobicContact CD1-CE2 4.49Å; Q128-Y135 HydrophobicContact CG-CD1 4.49Å; F132-Y135 AromaticContact CE2-CD1 3.93Å; F132-Y135 HydrophobicContact CE2-CD1 3.93Å; F132-Y135 HydrophobicContact CE2-CG 4.36Å; Y135-I137 HydrophobicContact CD2-CG1 4.4Å; Y135-I137 HydrophobicContact CE2-CD1 4.46Å; Y135-I137 HydrophobicContact CE2-CG1 4.08Å
136R85.8Confident83.9Confident154 Ų15463.6 Ų63.658%0.58131%0.307SS*.EExtended strand (participates in β ladder)trans-122123.3-179.3173.1162.9172.3-108.84.4110.8V34 E35V34-R136 WeakPolarHBondContact CA-O 3.41Å; E35-R136 HydrophobicContact CB-CB 4.23Å; E35-R136 PolarHBondContact N-O 3.39Å; E35-R136 PolarHBondContact O-N 3.43Å; E35-R136 IonicContact OE1-NH1 2.75Å; E35-R136 VanDerWaalsContact OE2-CD 3.23Å; E35-R136 WeakPolarHBondContact OE2-CD 3.36Å; E35-R136 IonicContact OE2-CZ 3.79Å; E35-R136 IonicContact OE2-NE 2.69Å; E35-R136 IonicContact OE2-NH1 2.84Å; E35-R136 PolarHBondContact OE2-NH1 2.93Å
137I86.9Confident84.5Confident68 Ų6858.1 Ų58.135%0.34928%0.282SS..EExtended strand (participates in β ladder)trans-72.3130.8178.7-59.6179.2000109.2Y135 M141Y135-I137 HydrophobicContact CD2-CG1 4.4Å; Y135-I137 HydrophobicContact CE2-CD1 4.46Å; Y135-I137 HydrophobicContact CE2-CG1 4.08Å; I137-M141 HydrophobicContact CG2-CB 3.6Å; I137-M141 HydrophobicContact CG2-CG 3.74Å
138T90.1Very high85.5Confident25 Ų2558.9 Ų58.915%0.15329%0.286CS..  trans-96-179.1-179.979.10000112.6E32 W33 I140 N142E32-T138 VanDerWaalsContact O-CB 3.27Å; E32-T138 WeakPolarHBondContact O-CB 3.48Å; E32-T138 WeakPolarHBondContact O-CG2 3.42Å; E32-T138 PolarHBondContact O-OG1 2.95Å; W33-T138 PolarHBondContact O-N 3.28Å; W33-T138 PolarHBondContact O-OG1 2.87Å; W33-T138 VanDerWaalsContact O-OG1 3.1Å; T138-I140 VanDerWaalsContact C-N 3.25Å; T138-I140 PolarHBondContact O-N 3.14Å; T138-I140 PolarHBondContact OG1-N 2.9Å; T138-N142 PolarHBondContact O-ND2 3.48Å
139W88.2Confident86.3Confident134 Ų13461.6 Ų61.651%0.50830%0.297SS..Hα-helixtrans-62-29.2175.971.6-87.1000113.4I26 L30 N142 T143I26-W139 HydrophobicContact CG2-CH2 3.87Å; I26-W139 HydrophobicContact CG2-CZ3 4.29Å; L30-W139 HydrophobicContact CD1-CH2 3.82Å; L30-W139 HydrophobicContact CD1-CZ2 3.66Å; W139-N142 WeakPolarHBondContact O-CB 3.38Å; W139-N142 PolarHBondContact O-N 3.37Å; W139-T143 HydrophobicContact CE3-CG2 3.87Å; W139-T143 HydrophobicContact CZ3-CG2 4.1Å; W139-T143 PolarHBondContact O-N 3.5Å
140I89.4Confident87.6Confident0 Ų055.4 Ų55.40%027%0.27CS..Hα-helixtrans-65.8-49-176.6-62.9167.6000110.4L30 E32 W33 T138 N142 T143 A144L30-I140 HydrophobicContact CB-CD1 3.51Å; L30-I140 HydrophobicContact CD1-CD1 3.78Å; L30-I140 HydrophobicContact CD1-CG1 4.22Å; L30-I140 HydrophobicContact CG-CD1 4.32Å; E32-I140 HydrophobicContact CB-CD1 3.85Å; W33-I140 HydrophobicContact CD2-CG2 4.1Å; W33-I140 HydrophobicContact CG-CG2 4.14Å; W33-I140 HydrophobicContact CZ2-CG2 4.32Å; T138-I140 VanDerWaalsContact C-N 3.25Å; T138-I140 PolarHBondContact O-N 3.14Å; T138-I140 PolarHBondContact OG1-N 2.9Å; I140-N142 PolarHBondContact O-N 3.45Å; I140-T143 PolarHBondContact O-N 2.93Å; I140-T143 PolarHBondContact O-OG1 3.13Å; I140-A144 PolarHBondContact O-N 2.61Å
141M88.2Confident88.7Confident2 Ų251.1 Ų51.11%0.0124%0.244CC..Hα-helixtrans-58.3-38.3175.4-171.674.8179.900111.4W33 L117 Y120 I137 T143 A144 Y145W33-M141 HydrophobicContact CE3-CB 4.5Å; W33-M141 HydrophobicContact CE3-SD 3.53Å; W33-M141 VanDerWaalsContact CE3-SD 3.53Å; W33-M141 HydrophobicContact CZ3-SD 3.61Å; L117-M141 HydrophobicContact CB-CE 4.02Å; L117-M141 HydrophobicContact CD2-CE 3.64Å; L117-M141 HydrophobicContact CD2-SD 3.72Å; L117-M141 HydrophobicContact CG-CE 4.4Å; Y120-M141 HydrophobicContact CD1-CE 4.18Å; Y120-M141 HydrophobicContact CD1-SD 4.04Å; Y120-M141 HydrophobicContact CE1-SD 4.35Å; I137-M141 HydrophobicContact CG2-CB 3.6Å; I137-M141 HydrophobicContact CG2-CG 3.74Å; M141-T143 VanDerWaalsContact C-N 3.35Å; M141-T143 PolarHBondContact O-N 3.26Å; M141-A144 WeakPolarHBondContact O-CB 3.36Å; M141-A144 PolarHBondContact O-N 3.06Å; M141-A144 VanDerWaalsContact O-N 3.17Å; M141-Y145 HydrophobicContact CE-CE2 3.74Å; M141-Y145 WeakPolarHBondContact CE-OH 3.34Å; M141-Y145 HydrophobicContact CG-CD2 4.32Å; M141-Y145 HydrophobicContact CG-CE2 3.88Å; M141-Y145 VanDerWaalsContact O-CD2 3.25Å; M141-Y145 WeakPolarHBondContact O-CD2 3.38Å; M141-Y145 PolarHBondContact O-N 3.39Å; M141-Y145 VanDerWaalsContact O-N 3.13Å
142N89.8Confident89.9Confident93 Ų9349 Ų4950%0.49724%0.238SC..Hα-helixtrans-64.6-36.4174.9-65.9-27.6000112.3T138 W139 I140 A144 Y145 L146T138-N142 PolarHBondContact O-ND2 3.48Å; W139-N142 WeakPolarHBondContact O-CB 3.38Å; W139-N142 PolarHBondContact O-N 3.37Å; I140-N142 PolarHBondContact O-N 3.45Å; N142-A144 VanDerWaalsContact C-N 3.33Å; N142-Y145 PolarHBondContact O-N 3.02Å; N142-L146 PolarHBondContact O-N 2.96Å
143T92.8Very high91Very high22 Ų2250 Ų5014%0.13525%0.246CC..Hα-helixtrans-68.7-29.6172.665.40000113.3L23 W139 I140 M141 L146 N147L23-T143 HydrophobicContact CD2-CG2 3.85Å; W139-T143 HydrophobicContact CE3-CG2 3.87Å; W139-T143 HydrophobicContact CZ3-CG2 4.1Å; W139-T143 PolarHBondContact O-N 3.5Å; I140-T143 PolarHBondContact O-N 2.93Å; I140-T143 PolarHBondContact O-OG1 3.13Å; M141-T143 VanDerWaalsContact C-N 3.35Å; M141-T143 PolarHBondContact O-N 3.26Å; T143-L146 WeakPolarHBondContact O-CB 3.08Å; T143-L146 PolarHBondContact O-N 3.04Å; T143-N147 PolarHBondContact O-N 2.98Å
144A92.7Very high91.9Very high6 Ų647.4 Ų47.45%0.0523%0.227CC..Hα-helixtrans-67.7-38.7173.200000111.8W33 L113 L117 I140 M141 N142 N147 V148W33-A144 HydrophobicContact CH2-CB 3.99Å; W33-A144 HydrophobicContact CZ3-CB 4.17Å; L113-A144 WeakPolarHBondContact CD2-O 3.26Å; L117-A144 HydrophobicContact CD1-CB 3.92Å; L117-A144 HydrophobicContact CD2-CB 3.61Å; L117-A144 HydrophobicContact CG-CB 4.38Å; I140-A144 PolarHBondContact O-N 2.61Å; M141-A144 WeakPolarHBondContact O-CB 3.36Å; M141-A144 PolarHBondContact O-N 3.06Å; M141-A144 VanDerWaalsContact O-N 3.17Å; N142-A144 VanDerWaalsContact C-N 3.33Å; A144-N147 WeakPolarHBondContact O-CB 3.43Å; A144-N147 PolarHBondContact O-N 3.5Å; A144-V148 PolarHBondContact O-N 2.83Å
145Y93.6Very high92.6Very high77 Ų7745 Ų4530%0.30221%0.21SC..Hα-helixtrans-66-36.9169.3-71.8-66.2000112.7L114 L117 M141 N142 N147 V148 F149L114-Y145 HydrophobicContact CD1-CE1 4.32Å; L117-Y145 HydrophobicContact CB-CE1 4.03Å; L117-Y145 HydrophobicContact CD1-CD1 3.8Å; L117-Y145 HydrophobicContact CD1-CE1 3.93Å; L117-Y145 HydrophobicContact CD1-CG 4.22Å; M141-Y145 HydrophobicContact CE-CE2 3.74Å; M141-Y145 WeakPolarHBondContact CE-OH 3.34Å; M141-Y145 HydrophobicContact CG-CD2 4.32Å; M141-Y145 HydrophobicContact CG-CE2 3.88Å; M141-Y145 VanDerWaalsContact O-CD2 3.25Å; M141-Y145 WeakPolarHBondContact O-CD2 3.38Å; M141-Y145 PolarHBondContact O-N 3.39Å; M141-Y145 VanDerWaalsContact O-N 3.13Å; N142-Y145 PolarHBondContact O-N 3.02Å; Y145-N147 VanDerWaalsContact C-N 3.27Å; Y145-N147 PolarHBondContact O-N 3.49Å; Y145-V148 WeakPolarHBondContact O-CB 3.17Å; Y145-V148 PolarHBondContact O-N 2.86Å; Y145-V148 VanDerWaalsContact O-N 3.13Å; Y145-F149 PolarHBondContact O-N 2.9Å
146L94.9Very high93.2Very high72 Ų7247.9 Ų47.938%0.37723%0.227SC..Hα-helixtrans-61.3-35.3173.3-175.163.3000112L23 N142 T143 V148 F149 F150L23-L146 HydrophobicContact CD1-CD2 4.33Å; N142-L146 PolarHBondContact O-N 2.96Å; T143-L146 WeakPolarHBondContact O-CB 3.08Å; T143-L146 PolarHBondContact O-N 3.04Å; L146-V148 PolarHBondContact O-N 3.47Å; L146-F149 HydrophobicContact CD1-CD1 4.27Å; L146-F149 WeakPolarHBondContact O-CB 3.49Å; L146-F149 PolarHBondContact O-N 2.86Å; L146-F150 HydrophobicContact CD1-CD1 4.41Å; L146-F150 HydrophobicContact CD1-CE1 3.86Å; L146-F150 HydrophobicContact CD1-CE2 4.4Å; L146-F150 HydrophobicContact CD1-CZ 3.86Å; L146-F150 HydrophobicContact CD2-CE2 3.87Å; L146-F150 HydrophobicContact CD2-CZ 3.74Å; L146-F150 HydrophobicContact CG-CD2 4.22Å; L146-F150 HydrophobicContact CG-CE1 4.09Å; L146-F150 HydrophobicContact CG-CE2 3.72Å; L146-F150 HydrophobicContact CG-CZ 3.65Å; L146-F150 WeakPolarHBondContact O-CG 3.08Å; L146-F150 PolarHBondContact O-N 3.39Å
147N96.1Very high93.6Very high2 Ų241.8 Ų41.81%0.01121%0.206CC..Hα-helixtrans-65.2-34.6173.3-82.2-3.5000113.3V20 L23 T24 L113 T143 A144 Y145 F149 F150 L151V20-N147 HydrophobicContact CG1-CB 4.46Å; V20-N147 PolarHBondContact O-ND2 3.27Å; L23-N147 WeakPolarHBondContact CB-ND2 3.47Å; L23-N147 WeakPolarHBondContact CB-OD1 3.49Å; L23-N147 WeakPolarHBondContact CD1-OD1 3.36Å; T24-N147 PolarHBondContact N-ND2 2.96Å; T24-N147 PolarHBondContact OG1-ND2 3.42Å; L113-N147 HydrophobicContact CD2-CB 3.57Å; T143-N147 PolarHBondContact O-N 2.98Å; A144-N147 WeakPolarHBondContact O-CB 3.43Å; A144-N147 PolarHBondContact O-N 3.5Å; Y145-N147 VanDerWaalsContact C-N 3.27Å; Y145-N147 PolarHBondContact O-N 3.49Å; N147-F149 VanDerWaalsContact C-N 3.3Å; N147-F149 PolarHBondContact O-N 3.41Å; N147-F150 PolarHBondContact O-N 3.04Å; N147-L151 VanDerWaalsContact O-CB 3.31Å; N147-L151 WeakPolarHBondContact O-CB 3.02Å; N147-L151 WeakPolarHBondContact O-CG 3.47Å; N147-L151 PolarHBondContact O-N 2.9Å
148V96.8Very high93.9Very high18 Ų1838.5 Ų38.511%0.10919%0.19CC..Hα-helixtrans-61.2-41.8171.9179.80000110.4L113 L114 L117 A144 Y145 L146 S152L113-V148 HydrophobicContact CB-CG2 4.02Å; L113-V148 HydrophobicContact CD2-CG2 3.8Å; L113-V148 HydrophobicContact CG-CG2 3.67Å; L114-V148 HydrophobicContact CB-CG1 4.11Å; L114-V148 HydrophobicContact CB-CG2 4.2Å; L117-V148 HydrophobicContact CD1-CG2 4.09Å; A144-V148 PolarHBondContact O-N 2.83Å; Y145-V148 WeakPolarHBondContact O-CB 3.17Å; Y145-V148 PolarHBondContact O-N 2.86Å; Y145-V148 VanDerWaalsContact O-N 3.13Å; L146-V148 PolarHBondContact O-N 3.47Å; V148-S152 WeakPolarHBondContact O-CB 3.26Å; V148-S152 PolarHBondContact O-N 3.18Å; V148-S152 PolarHBondContact O-OG 2.99Å
149F96.6Very high94.1Very high125 Ų12541 Ų4155%0.54820%0.201SC..Hα-helixtrans-64.6-50.1174.6173.8-102.5000111.8Y145 L146 N147 L151 S152 V153Y145-F149 PolarHBondContact O-N 2.9Å; L146-F149 HydrophobicContact CD1-CD1 4.27Å; L146-F149 WeakPolarHBondContact O-CB 3.49Å; L146-F149 PolarHBondContact O-N 2.86Å; N147-F149 VanDerWaalsContact C-N 3.3Å; N147-F149 PolarHBondContact O-N 3.41Å; F149-L151 PolarHBondContact O-N 3.43Å; F149-S152 WeakPolarHBondContact O-CB 3.41Å; F149-S152 PolarHBondContact O-N 2.96Å; F149-S152 VanDerWaalsContact O-N 3.14Å; F149-V153 HydrophobicContact CD1-CG2 4.37Å; F149-V153 HydrophobicContact CD2-CG2 4.31Å; F149-V153 HydrophobicContact CE1-CG2 3.94Å; F149-V153 HydrophobicContact CE2-CG2 3.87Å; F149-V153 HydrophobicContact CZ-CG2 3.67Å; F149-V153 WeakPolarHBondContact O-CG2 3.41Å; F149-V153 PolarHBondContact O-N 3.42Å
150F97.3Very high94.2Very high31 Ų3138.1 Ų38.114%0.13620%0.196CC..Hα-helixtrans-59.8-42.8178.1-68.4-22.3000112.8L16 W19 V20 L23 L146 N147 S152 V153 C154L16-F150 HydrophobicContact CD2-CD1 3.76Å; L16-F150 HydrophobicContact CD2-CE1 4.01Å; L16-F150 HydrophobicContact CD2-CG 4.26Å; W19-F150 HydrophobicContact CB-CD2 4.35Å; W19-F150 HydrophobicContact CB-CE2 4.18Å; V20-F150 HydrophobicContact CG2-CB 3.44Å; V20-F150 VanDerWaalsContact CG2-CB 3.44Å; V20-F150 HydrophobicContact CG2-CD2 4.21Å; V20-F150 HydrophobicContact CG2-CG 4.35Å; L23-F150 HydrophobicContact CD1-CE2 4Å; L146-F150 HydrophobicContact CD1-CD1 4.41Å; L146-F150 HydrophobicContact CD1-CE1 3.86Å; L146-F150 HydrophobicContact CD1-CE2 4.4Å; L146-F150 HydrophobicContact CD1-CZ 3.86Å; L146-F150 HydrophobicContact CD2-CE2 3.87Å; L146-F150 HydrophobicContact CD2-CZ 3.74Å; L146-F150 HydrophobicContact CG-CD2 4.22Å; L146-F150 HydrophobicContact CG-CE1 4.09Å; L146-F150 HydrophobicContact CG-CE2 3.72Å; L146-F150 HydrophobicContact CG-CZ 3.65Å; L146-F150 WeakPolarHBondContact O-CG 3.08Å; L146-F150 PolarHBondContact O-N 3.39Å; N147-F150 PolarHBondContact O-N 3.04Å; F150-S152 VanDerWaalsContact C-N 3.33Å; F150-S152 PolarHBondContact O-N 3.34Å; F150-V153 PolarHBondContact O-N 2.9Å; F150-C154 PolarHBondContact O-N 2.9Å; F150-C154 PolarHBondContact O-SG 3.37Å
151L96.9Very high94.2Very high0 Ų038.1 Ų38.10%020%0.196CC..Hα-helixtrans-60.5-41.6174.3-78166.3000112V20 L80 L113 N147 F149 C154 G155V20-L151 HydrophobicContact CG1-CD1 4.03Å; V20-L151 HydrophobicContact CG1-CD2 3.97Å; V20-L151 HydrophobicContact CG1-CG 3.86Å; V20-L151 HydrophobicContact CG2-CD2 4.4Å; V20-L151 HydrophobicContact CG2-CG 4.03Å; L80-L151 HydrophobicContact CD2-CD2 3.84Å; L113-L151 HydrophobicContact CD2-CD1 4.21Å; N147-L151 VanDerWaalsContact O-CB 3.31Å; N147-L151 WeakPolarHBondContact O-CB 3.02Å; N147-L151 WeakPolarHBondContact O-CG 3.47Å; N147-L151 PolarHBondContact O-N 2.9Å; F149-L151 PolarHBondContact O-N 3.43Å; L151-C154 PolarHBondContact O-N 2.9Å; L151-G155 PolarHBondContact O-N 3.49Å
152S96.2Very high94.1Very high39 Ų3938.8 Ų38.827%0.27320%0.2SC..Hα-helixtrans-63.8-41.3175.4-57.40000112F107 V148 F149 F150 G155 I156F107-S152 WeakPolarHBondContact CE1-O 3.42Å; V148-S152 WeakPolarHBondContact O-CB 3.26Å; V148-S152 PolarHBondContact O-N 3.18Å; V148-S152 PolarHBondContact O-OG 2.99Å; F149-S152 WeakPolarHBondContact O-CB 3.41Å; F149-S152 PolarHBondContact O-N 2.96Å; F149-S152 VanDerWaalsContact O-N 3.14Å; F150-S152 VanDerWaalsContact C-N 3.33Å; F150-S152 PolarHBondContact O-N 3.34Å; S152-G155 PolarHBondContact O-N 2.93Å; S152-I156 WeakPolarHBondContact O-CG1 3.31Å; S152-I156 PolarHBondContact O-N 3.31Å
153V96.9Very high93.9Very high35 Ų3542 Ų4221%0.21221%0.21CC..Hα-helixtrans-66.5-43.2175.7176.40000111.2L16 F149 F150 G155 I156 L157L16-V153 HydrophobicContact CD1-CB 4.19Å; L16-V153 HydrophobicContact CD1-CG1 3.51Å; F149-V153 HydrophobicContact CD1-CG2 4.37Å; F149-V153 HydrophobicContact CD2-CG2 4.31Å; F149-V153 HydrophobicContact CE1-CG2 3.94Å; F149-V153 HydrophobicContact CE2-CG2 3.87Å; F149-V153 HydrophobicContact CZ-CG2 3.67Å; F149-V153 WeakPolarHBondContact O-CG2 3.41Å; F149-V153 PolarHBondContact O-N 3.42Å; F150-V153 PolarHBondContact O-N 2.9Å; V153-G155 PolarHBondContact O-N 3.49Å; V153-I156 PolarHBondContact O-N 3.47Å; V153-I156 VanDerWaalsContact O-N 3.15Å; V153-L157 HydrophobicContact CG1-CD1 3.95Å; V153-L157 HydrophobicContact CG1-CG 4.11Å; V153-L157 WeakPolarHBondContact O-CB 3.43Å; V153-L157 VanDerWaalsContact O-CG 3.29Å; V153-L157 WeakPolarHBondContact O-CG 3.44Å; V153-L157 PolarHBondContact O-N 3.35Å
154C96.6Very high93.5Very high0 Ų044.5 Ų44.50%022%0.222CC..Hα-helixtrans-56-38.6173-69.90000112.2N13 L16 F150 L151 S158N13-C154 WeakPolarHBondContact OD1-CB 3.45Å; N13-C154 PolarHBondContact OD1-O 3.3Å; L16-C154 VanDerWaalsContact CB-SG 3.51Å; F150-C154 PolarHBondContact O-N 2.9Å; F150-C154 PolarHBondContact O-SG 3.37Å; L151-C154 PolarHBondContact O-N 2.9Å; C154-S158 VanDerWaalsContact O-CB 3.29Å; C154-S158 WeakPolarHBondContact O-CB 3.38Å; C154-S158 PolarHBondContact O-N 3.42Å; C154-S158 PolarHBondContact O-OG 2.86Å
155G95.9Very high92.6Very high0 Ų045.9 Ų45.90%023%0.231CC..Hα-helixtrans-64.8-47.517400000113.1S106 F107 L151 S152 V153 L157 S158 L159S106-G155 WeakPolarHBondContact OG-CA 3.07Å; S106-G155 PolarHBondContact OG-N 2.7Å; S106-G155 VanDerWaalsContact OG-N 3.15Å; F107-G155 VanDerWaalsContact CZ-C 3.41Å; L151-G155 PolarHBondContact O-N 3.49Å; S152-G155 PolarHBondContact O-N 2.93Å; V153-G155 PolarHBondContact O-N 3.49Å; G155-L157 PolarHBondContact O-N 2.91Å; G155-S158 PolarHBondContact O-N 3.01Å; G155-L159 WeakPolarHBondContact O-CG 3.36Å; G155-L159 PolarHBondContact O-N 3.46Å
156I95.4Very high91.3Very high102 Ų10245.5 Ų45.552%0.52324%0.237SC..Hα-helixtrans-61.9-43.9177-66.2164.1000111.1F107 S152 V153 S158 L159 L160F107-I156 HydrophobicContact CE1-CG1 4.35Å; F107-I156 HydrophobicContact CZ-CG1 4.07Å; S152-I156 WeakPolarHBondContact O-CG1 3.31Å; S152-I156 PolarHBondContact O-N 3.31Å; V153-I156 PolarHBondContact O-N 3.47Å; V153-I156 VanDerWaalsContact O-N 3.15Å; I156-S158 VanDerWaalsContact C-N 3.34Å; I156-S158 PolarHBondContact O-N 3.31Å; I156-L159 PolarHBondContact O-N 2.75Å; I156-L160 WeakPolarHBondContact O-CB 3.11Å; I156-L160 PolarHBondContact O-N 3.12Å
157L94.5Very high89.5Confident26 Ų2645.7 Ų45.714%0.13626%0.256CS..Hα-helixtrans-62.8-40.5175.7-66.7175000111.5I9 M12 N13 L16 V153 G155 L160 E161I9-L157 HydrophobicContact CG2-CB 3.99Å; I9-L157 HydrophobicContact CG2-CD2 4.08Å; M12-L157 HydrophobicContact CB-CD1 4.19Å; M12-L157 HydrophobicContact CG-CD1 3.84Å; N13-L157 HydrophobicContact CB-CB 4.46Å; N13-L157 HydrophobicContact CB-CD1 4.31Å; L16-L157 HydrophobicContact CD1-CD1 3.86Å; V153-L157 HydrophobicContact CG1-CD1 3.95Å; V153-L157 HydrophobicContact CG1-CG 4.11Å; V153-L157 WeakPolarHBondContact O-CB 3.43Å; V153-L157 VanDerWaalsContact O-CG 3.29Å; V153-L157 WeakPolarHBondContact O-CG 3.44Å; V153-L157 PolarHBondContact O-N 3.35Å; G155-L157 PolarHBondContact O-N 2.91Å; L157-L160 WeakPolarHBondContact O-CB 3.43Å; L157-L160 PolarHBondContact O-N 2.85Å; L157-E161 WeakPolarHBondContact O-CG 3.14Å; L157-E161 PolarHBondContact O-N 3.06Å
158S93.3Very high87.6Confident0 Ų050 Ų500%029%0.287CS..Hα-helixtrans-66.5-38.2177.6-59.10000112.5N13 C154 G155 I156 C162N13-S158 PolarHBondContact ND2-OG 2.89Å; C154-S158 VanDerWaalsContact O-CB 3.29Å; C154-S158 WeakPolarHBondContact O-CB 3.38Å; C154-S158 PolarHBondContact O-N 3.42Å; C154-S158 PolarHBondContact O-OG 2.86Å; G155-S158 PolarHBondContact O-N 3.01Å; I156-S158 VanDerWaalsContact C-N 3.34Å; I156-S158 PolarHBondContact O-N 3.31Å; S158-C162 PolarHBondContact O-N 3.39Å; S158-C162 VanDerWaalsContact O-N 3.14Å
159L93.4Very high85.1Confident76 Ų7652.4 Ų52.440%0.39830%0.304SS..Hα-helixtrans-67.5-36.9170.3-68.9-179.4000112.3L100 A103 F107 G155 I156 C162 K163L100-L159 HydrophobicContact CD1-CD2 4.32Å; A103-L159 HydrophobicContact CB-CD2 3.78Å; A103-L159 HydrophobicContact CB-CG 3.89Å; F107-L159 HydrophobicContact CE2-CD1 3.79Å; F107-L159 HydrophobicContact CE2-CG 4.27Å; F107-L159 HydrophobicContact CZ-CD1 4.22Å; G155-L159 WeakPolarHBondContact O-CG 3.36Å; G155-L159 PolarHBondContact O-N 3.46Å; I156-L159 PolarHBondContact O-N 2.75Å; L159-C162 WeakPolarHBondContact O-CB 3.26Å; L159-C162 PolarHBondContact O-N 3.27Å; L159-K163 PolarHBondContact O-N 2.65Å
160L91.5Very high82.6Confident75 Ų7551.8 Ų51.839%0.39331%0.31SS..Hα-helixtrans-64.5-42.9175.8-174.863.8000111.3I9 I156 L157 C162 K163 L164I9-L160 HydrophobicContact CD1-CD2 3.89Å; I9-L160 HydrophobicContact CD1-CG 4.09Å; I156-L160 WeakPolarHBondContact O-CB 3.11Å; I156-L160 PolarHBondContact O-N 3.12Å; L157-L160 WeakPolarHBondContact O-CB 3.43Å; L157-L160 PolarHBondContact O-N 2.85Å; L160-C162 VanDerWaalsContact C-N 3.29Å; L160-C162 PolarHBondContact O-N 3.03Å; L160-K163 PolarHBondContact O-N 3.41Å; L160-L164 WeakPolarHBondContact O-CB 3.42Å; L160-L164 PolarHBondContact O-N 3.34Å
161E88.8Confident80.1Confident0 Ų055.2 Ų55.20%034%0.337CS..Hα-helixtrans-59.7-37.8171.7-67.6-176.9-132.900112.5I9 Q10 N13 K87 Q99 L157 L164 S165I9-E161 HydrophobicContact CB-CG 4.18Å; I9-E161 HydrophobicContact CG2-CG 3.52Å; Q10-E161 HydrophobicContact CG-CG 4.35Å; Q10-E161 WeakPolarHBondContact CG-OE1 3.42Å; Q10-E161 VanDerWaalsContact CG-OE2 3.27Å; Q10-E161 WeakPolarHBondContact CG-OE2 3.37Å; Q10-E161 PolarHBondContact NE2-OE2 3.28Å; N13-E161 PolarHBondContact ND2-OE1 2.75Å; N13-E161 VanDerWaalsContact ND2-OE1 3.11Å; K87-E161 IonicContact NZ-OE1 3.2Å; K87-E161 PolarHBondContact NZ-OE1 3.17Å; K87-E161 IonicContact NZ-OE2 3.77Å; K87-E161 PolarHBondContact NZ-OE2 3.4Å; Q99-E161 PolarHBondContact NE2-O 3.25Å; L157-E161 WeakPolarHBondContact O-CG 3.14Å; L157-E161 PolarHBondContact O-N 3.06Å; E161-L164 PolarHBondContact O-N 3.09Å; E161-S165 VanDerWaalsContact O-CB 3.28Å; E161-S165 WeakPolarHBondContact O-CB 3.33Å; E161-S165 PolarHBondContact O-N 2.97Å
162C86.1Confident77.4Confident16 Ų1662.4 Ų62.411%0.10838%0.375CS..Hα-helixtrans-66.6-41.2177.71800000112Q99 S158 L159 L160 T166Q99-C162 HydrophobicContact CB-CB 4.09Å; S158-C162 PolarHBondContact O-N 3.39Å; S158-C162 VanDerWaalsContact O-N 3.14Å; L159-C162 WeakPolarHBondContact O-CB 3.26Å; L159-C162 PolarHBondContact O-N 3.27Å; L160-C162 VanDerWaalsContact C-N 3.29Å; L160-C162 PolarHBondContact O-N 3.03Å; C162-T166 PolarHBondContact O-N 3.48Å; C162-T166 VanDerWaalsContact O-N 3.13Å; C162-T166 PolarHBondContact O-OG1 2.85Å
163K86.4Confident74.7Confident161 Ų16167.5 Ų67.570%0.740%0.399SS*.Hα-helixtrans-64.9-47.3172.9-171.7174.2-179.1176.90111.2L159 L160 S165 T166 G167L159-K163 PolarHBondContact O-N 2.65Å; L160-K163 PolarHBondContact O-N 3.41Å; K163-S165 VanDerWaalsContact C-N 3.34Å; K163-S165 PolarHBondContact O-N 3.06Å; K163-T166 PolarHBondContact O-N 3.22Å; K163-T166 VanDerWaalsContact O-N 3.15Å; K163-G167 PolarHBondContact O-N 2.89Å; K163-G167 VanDerWaalsContact O-N 3.1Å
164L83.2Confident72.1Confident74 Ų7472.4 Ų72.439%0.38742%0.422SS..Hα-helixtrans-59.7-43.7177.3-12975.8000111.8K6 I9 L160 E161 T166 G167 S168K6-L164 HydrophobicContact CB-CD2 4.23Å; I9-L164 HydrophobicContact CD1-CD2 4.25Å; L160-L164 WeakPolarHBondContact O-CB 3.42Å; L160-L164 PolarHBondContact O-N 3.34Å; E161-L164 PolarHBondContact O-N 3.09Å; L164-T166 PolarHBondContact O-N 2.72Å; L164-G167 PolarHBondContact O-N 3.21Å; L164-S168 PolarHBondContact O-N 3.05Å
165S74.4Confident69.6Low35 Ų3578.6 Ų78.625%0.24545%0.451CS..Hα-helixtrans-70.3-19.1179.3-152.30000113.5E161 K163E161-S165 VanDerWaalsContact O-CB 3.28Å; E161-S165 WeakPolarHBondContact O-CB 3.33Å; E161-S165 PolarHBondContact O-N 2.97Å; K163-S165 VanDerWaalsContact C-N 3.34Å; K163-S165 PolarHBondContact O-N 3.06Å
166T67.2Low66.8Low68 Ų6886.3 Ų86.342%0.41750%0.498SS..Hα-helixtrans-79.2-44.4171.5-54.80000110.6K96 C162 K163 L164 S168 C169K96-T166 PolarHBondContact NZ-OG1 3.29Å; C162-T166 PolarHBondContact O-N 3.48Å; C162-T166 VanDerWaalsContact O-N 3.13Å; C162-T166 PolarHBondContact O-OG1 2.85Å; K163-T166 PolarHBondContact O-N 3.22Å; K163-T166 VanDerWaalsContact O-N 3.15Å; L164-T166 PolarHBondContact O-N 2.72Å; T166-S168 VanDerWaalsContact C-N 3.29Å; T166-S168 PolarHBondContact O-N 3.19Å; T166-C169 WeakPolarHBondContact O-CB 3.36Å; T166-C169 PolarHBondContact O-N 3.35Å
167G56.8Low64.5Low76 Ų7685 Ų8578%0.78450%0.498SS*.Hα-helixtrans-68.7-21.8178.200000115K163 L164K163-G167 PolarHBondContact O-N 2.89Å; K163-G167 VanDerWaalsContact O-N 3.1Å; L164-G167 PolarHBondContact O-N 3.21Å
168S54.8Low61.9Low94 Ų9490.2 Ų90.266%0.65753%0.526SS*.THydrogen-bonded Turntrans-88.52.5176-171.60000114L164 T166 T170L164-S168 PolarHBondContact O-N 3.05Å; T166-S168 VanDerWaalsContact C-N 3.29Å; T166-S168 PolarHBondContact O-N 3.19Å; S168-T170 PolarHBondContact O-N 3.39Å
169C44.4Very low59.4Low68 Ų6897.3 Ų97.346%0.45957%0.57SS.*  trans-92.968.8-172.9-157.80000112T166 C171T166-C169 WeakPolarHBondContact O-CB 3.36Å; T166-C169 PolarHBondContact O-N 3.35Å; C169-C171 PolarHBondContact O-N 3.32Å; C169-C171 VanDerWaalsContact O-N 3.09Å
170T44Very low56.6Low112 Ų112102 Ų10269%0.68759%0.59SS**G310 helixtrans-62.9-10.3176.411.80000114.1S168 L172 N173S168-T170 PolarHBondContact O-N 3.39Å; T170-L172 PolarHBondContact O-N 3.24Å; T170-N173 PolarHBondContact O-N 2.67Å; T170-N173 VanDerWaalsContact O-N 3.15Å
171C44.7Very low53.7Low102 Ų102105.1 Ų105.169%0.68962%0.616SS**G310 helixtrans-64.8-0-178.7-49.40000115.3C169C169-C171 PolarHBondContact O-N 3.32Å; C169-C171 VanDerWaalsContact O-N 3.09Å
172L41.3Very low51Low152 Ų152113.8 Ų113.880%0.79665%0.654SS**G310 helixtrans-107.9-2.2175.9-101.8164.2000114.2T170 I174T170-L172 PolarHBondContact O-N 3.24Å; L172-I174 VanDerWaalsContact C-N 3.28Å; L172-I174 PolarHBondContact O-N 2.67Å
173N38.3Very low48.5Very low146 Ų146122.3 Ų122.378%0.78169%0.692SS**  trans-91.138.9175.6-79.514.9000112.6T170T170-N173 PolarHBondContact O-N 2.67Å; T170-N173 VanDerWaalsContact O-N 3.15Å
174I43.5Very low45.9Very low138 Ų138120.2 Ų120.271%0.70870%0.698SS**SBendtrans-95.2108.9175.8-59.1-178.7000108.8L172L172-I174 VanDerWaalsContact C-N 3.28Å; L172-I174 PolarHBondContact O-N 2.67Å
175H44Very low43.5Very low130 Ų130124.7 Ų124.760%0.60272%0.717SS**  trans53.489.5176.8-79.2-83.7000118.1S177 D178H175-S177 PolarHBondContact ND1-O 2.79Å; H175-D178 IonicContact CE1-OD2 2.73Å
176T36.3Very low41.4Very low161 Ų161130.2 Ų130.299%0.98874%0.743SS**  trans-124.846.5135.446.10000110.8
177S47.3Very low39.7Very low75 Ų75132.5 Ų132.552%0.52476%0.762SS.*  trans-123.1147.1162.457.30000108.7H175H175-S177 PolarHBondContact ND1-O 2.79Å
178D40.8Very low38.7Very low136 Ų136137.1 Ų137.173%0.72777%0.767SS**SBendtrans98.946.7176.8-48.6-23.3000117.8H175H175-D178 IonicContact CE1-OD2 2.73Å
179T39.8Very low37.6Very low149 Ų149142 Ų14291%0.91478%0.779SS**SBendtrans-146.943.8160.2250000114.4
180E35Very low36.9Very low175 Ų175141.7 Ų141.782%0.81879%0.787SS**  trans-148.136.4166.7-138.2177.1-118.200115.6K182E180-K182 PolarHBondContact O-N 2.96Å
181C30.8Very low36.2Very low140 Ų140144.1 Ų144.195%0.94679%0.794SS**  trans-75108.9160.3-77.90000109
182K31.6Very low35.7Very low181 Ų181144.3 Ų144.379%0.78780%0.797SS**  trans-66.3146.7-178-62.8-179178.8179.50112.2E180E180-K182 PolarHBondContact O-N 2.96Å
183E34.1Very low35.4Very low196 Ų196144 Ų14492%0.91680%0.795SS**  trans-60143164.9-66.2170.7116.700110.8
184S31.6Very low35.5Very low117 Ų117142.9 Ų142.982%0.81880%0.796SS**  trans-14893167.9-177.70000107.9
185E32.7Very low35Very low168 Ų168143.9 Ų143.979%0.78580%0.798SS**  trans-64.3163.1172-77.7-17311600112.5
186N30.9Very low34.6Very low151 Ų151146.2 Ų146.281%0.80781%0.809SS**  trans74.9139.2172.1-47.2-68.7000114.9
187S31.2Very low34.5Very low115 Ų115143.5 Ų143.580%0.80480%0.802SS**  cis-139169.516.353.40000113.4
188I34.8Very low34Very low173 Ų173144.8 Ų144.889%0.88782%0.818SS**  trans-94.4125.7176.3-61.8167.9000109.7
189E32.5Very low34.2Very low197 Ų197147.6 Ų147.692%0.92182%0.824SS**  trans-150.1150.7151.6-144.1167.4-145.400108.3
190G29.3Very low34.3Very low61 Ų61146.5 Ų146.563%0.62982%0.819SS**  trans-165.8168.5-178.400000112.4
191I29.6Very low34.3Very low163 Ų163149.5 Ų149.584%0.83682%0.823SS**  trans-169.5135.8164.2-102.4146.6000110.8
192S33.5Very low34.6Very low107 Ų107148 Ų14875%0.74881%0.814SS**  trans44138.8160.765.50000123.7
193L35.6Very low35.1Very low145 Ų145146.9 Ų146.976%0.75982%0.815SS**  trans-63.3164.8161.3-12980.9000113.2
194P41Very low35Very low122 Ų122143.6 Ų143.679%0.79281%0.808SS**  -127.9179.5113.437.9-33000114.3
195E33.2Very low35.1Very low159 Ų159149.6 Ų149.674%0.74381%0.812SS**  trans-93.4169.1-155.8-62.3176.9105.300117.5
196H35Very low35.1Very low179 Ų179144.8 Ų144.883%0.82980%0.802SS**  trans66.794.1153.7-77.3-55.3000121
197A34.1Very low35Very low104 Ų104145.9 Ų145.986%0.8680%0.802SS**  trans-136.4152.3136.600000109.8
198A38.1Very low35Very low102 Ų102147 Ų14784%0.84380%0.803SS**PPolyproline II helixtrans-85.1140.6-163.500000115.3
199K44.1Very low34.8Very low196 Ų196143.8 Ų143.885%0.85279%0.792SS**PPolyproline II helixtrans-70.8134.5168.7-87.7-177.9173.5175.40111.5
200P41.6Very low34.5Very low126 Ų126142 Ų14282%0.81879%0.789SS**PPolyproline II helixtrans-68.4145.3165.329.9-33.6000110.7
201R36.2Very low34.5Very low238 Ų238144.2 Ų144.290%0.89880%0.795SS**PPolyproline II helixtrans-84.5122.2-177.4-67.4-178.9177.5-179.3-1.3111.2
202S36.8Very low34.5Very low108 Ų108144.2 Ų144.276%0.75579%0.788SS**PPolyproline II helixtrans-69.6131.7165.6-178.70000110.2V204S202-V204 PolarHBondContact O-N 3.21Å
203I41.5Very low34.2Very low157 Ų157146.2 Ų146.281%0.80579%0.786SS**  trans-96.586.7175.7-57.1179.6000108.6
204V32.2Very low33.8Very low128 Ų128146.8 Ų146.878%0.77679%0.79SS**  trans-79.2136164.6177.70000108.6S202S202-V204 PolarHBondContact O-N 3.21Å
205R32.7Very low33.3Very low242 Ų242147.8 Ų147.891%0.91379%0.787SS**  trans-137111.4174.9-156.8179-155.1158.26.4111.2
206A33.2Very low33.1Very low68 Ų68147.1 Ų147.156%0.56279%0.788SS**  trans-139.9164.9170.300000107.9
207H30Very low32.8Very low174 Ų174144.5 Ų144.581%0.80678%0.78SS**  cis-112.8-147.7-0.3-60.7-102.7000108.6
208T29.9Very low32.8Very low137 Ų137148.4 Ų148.484%0.8478%0.778SS**  cis-150.3-176.611.444.70000110
209V30.4Very low32.7Very low106 Ų106152.8 Ų152.864%0.64278%0.78SS**  -158.7133.4-57.3144.40000106.3
210N27.3Very low32.6Very low161 Ų161149.3 Ų149.386%0.86178%0.776SS**  trans62.5159.7171.4-65.3-11.9000117
211S28.7Very low32.4Very low107 Ų107152.5 Ų152.575%0.74878%0.78SS**  cis-143.2151.27.956.10000114.3
212K28.8Very low32.6Very low162 Ų162147 Ų14770%0.70477%0.773SS**  trans20.1134.5147.5-88.3168.8154-81.50122.6
213E28.4Very low32.6Very low149 Ų149153.2 Ų153.270%0.69678%0.779SS**  trans78.4100.3134.8-75.2150.2178.600122.5
214D27.2Very low32.5Very low158 Ų158156.6 Ų156.685%0.84578%0.782SS**  91.1164.6123.8-146.44.8000121
215I30.4Very low33.5Very low142 Ų142156.2 Ų156.273%0.72878%0.78SS**  trans76.487.3170.1-46.3179.9000118.1
216L28.5Very low34.4Very low146 Ų146150.8 Ų150.876%0.76477%0.774SS**  20.7105.3121.9-175.189.8000118.8
217N29.8Very low35.4Very low124 Ų124159.2 Ų159.266%0.66379%0.791SS**  -173.6167.2112.4-111.2-66.4000117.3
218K34.3Very low36.3Very low186 Ų186155.5 Ų155.581%0.80979%0.791SS**  trans-55.4149.3173.2-50.9144.6-179.9169.50112.9
219Q35.6Very low36.4Very low193 Ų193160.8 Ų160.890%0.90281%0.812SS**  -154.8141.7110.5-159.7153.5-14.300112.4
220V40.6Very low36.7Very low124 Ų124163.5 Ų163.575%0.75282%0.821SS**  trans-81.6137.1170.8173.40000109
221Q38.5Very low37.2Very low193 Ų193163.6 Ų163.690%0.90282%0.819SS**  trans-122.3112.9168.4-140.6174.426.500111.4R223Q221-R223 PolarHBondContact O-N 3.13Å
222T39.4Very low37.7Very low123 Ų123166.8 Ų166.876%0.75582%0.823SS**  trans-76.1115.9-174.712.40000111.5R224T222-R224 PolarHBondContact O-N 3.04Å
223R38Very low38.2Very low237 Ų237167.1 Ų167.189%0.89483%0.83SS**  trans-72.894.2173.2-168.7176.8-171.5178.23110.2Q221Q221-R223 PolarHBondContact O-N 3.13Å
224R38.7Very low38.9Very low228 Ų228168.2 Ų168.286%0.8684%0.838SS**  trans-60.7138.9168.4-63.9-174.3-176-169.91.7109.5T222T222-R224 PolarHBondContact O-N 3.04Å
225V53.6Low39.6Very low120 Ų120168.9 Ų168.973%0.72784%0.837SS**  trans-106.5112.7167.2179.70000107.2
226T51.8Low40.3Very low129 Ų129170.8 Ų170.879%0.79185%0.845SS**  trans-83.5122.1170.743.80000109.1
227W52.7Low41.2Very low245 Ų245172.7 Ų172.793%0.92885%0.852SS**  trans-70.6150.5164-66.991000109.7
228A50.9Low42.2Very low96 Ų96176.8 Ų176.879%0.79387%0.867SS**  trans-108.9103.2177.200000110.5
229L31.7Very low42.9Very low247 Ų247175.9 Ų175.9100%1.29387%0.873SS**  -1540111.1-143.777.1000109.9

Retrieved 229 of 229 residues in 61.5 ms (Link to these results)

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