A0A087YIL7_POEFO Loading...

ORM1-like protein

Plays an essential role in the homeostatic regulation of sphingolipid de novo biosynthesis by modulating the activity of the serine palmitoyltransferase (SPT) in response to ceramide levels. When complexed to SPT, the binding of ceramides to its N-terminus stabilizes a conformation that block SPT substrate entry, hence preventing SPT catalytic activity. Through this mechanism, maintains ceramide levels at sufficient concentrations for the production of complex sphingolipids, but which prevents the accumulation of ceramides to levels that trigger apoptosis.

AlphaFold DB , UniProt , Accession A0A087YIL7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 153 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
1M44.6Very low58Low222 Ų222114.1 Ų114.1100%1.09468%0.681SS**  0101.80-153.8166.680.200106.7V3M1-V3 HydrophobicContact CE-CG2 4.11Å; M1-V3 PolarHBondContact O-N 3.14Å; M1-V3 VanDerWaalsContact O-N 3.17Å
2N45.3Very low60.4Low173 Ų173109.1 Ų109.193%0.92565%0.653SS**  trans-82.692-179.5-134.38.2000106.6G4N2-G4 VanDerWaalsContact C-N 3.33Å; N2-G4 PolarHBondContact O-N 3.06Å
3V53.6Low62.8Low108 Ų108101.8 Ų101.866%0.65561%0.609SS**  trans-73.796.6176.5-171.30000105.6M1 T5M1-V3 HydrophobicContact CE-CG2 4.11Å; M1-V3 PolarHBondContact O-N 3.14Å; M1-V3 VanDerWaalsContact O-N 3.17Å; V3-T5 PolarHBondContact O-N 3.46Å
4G47.8Very low64.8Low70 Ų7095.1 Ų95.172%0.72257%0.569SS**  trans-57.5109.2173.900000108.5N2 A6N2-G4 VanDerWaalsContact C-N 3.33Å; N2-G4 PolarHBondContact O-N 3.06Å; G4-A6 PolarHBondContact O-N 3.5Å
5T53.8Low66.4Low100 Ų10098.1 Ų98.161%0.61357%0.566SS**  trans-68.2105169.345.70000106.7V3 H7V3-T5 PolarHBondContact O-N 3.46Å; T5-H7 VanDerWaalsContact C-N 3.34Å; T5-H7 PolarHBondContact O-CD2 3.08Å; T5-H7 PolarHBondContact O-N 3.49Å; T5-H7 PolarHBondContact OG1-NE2 3.14Å
6A52.1Low67.8Low96 Ų9695.4 Ų95.479%0.79355%0.551SS**  trans-62.1103.2164.600000106.6G4 S8G4-A6 PolarHBondContact O-N 3.5Å; A6-S8 PolarHBondContact O-N 3.43Å
7H51.2Low69.2Low172 Ų17291.1 Ų91.180%0.79653%0.525SS*.  trans-69.990.9169.3-64.9-76.9000106.8T5 E9T5-H7 VanDerWaalsContact C-N 3.34Å; T5-H7 PolarHBondContact O-CD2 3.08Å; T5-H7 PolarHBondContact O-N 3.49Å; T5-H7 PolarHBondContact OG1-NE2 3.14Å; H7-E9 PolarHBondContact O-N 3.42Å
8S60.4Low70.5Confident100 Ų10089.5 Ų89.570%0.69952%0.515SS*.  trans-62.7129.5165.252.80000107.6A6 V10A6-S8 PolarHBondContact O-N 3.43Å; S8-V10 PolarHBondContact O-N 3.4Å
9E65.4Low71.7Confident64 Ų6487.9 Ų87.930%0.29951%0.509SS..  trans-52.9121.3170-83.2-73.4178.700109.4H7 N11 R15 Y91H7-E9 PolarHBondContact O-N 3.42Å; E9-N11 PolarHBondContact O-N 2.96Å; E9-R15 WeakPolarHBondContact OE1-CD 3.29Å; E9-Y91 PolarHBondContact OE1-OH 3.26Å; E9-Y91 PolarHBondContact OE2-OH 3.11Å
10V76.6Confident72.8Confident123 Ų12392.5 Ų92.575%0.74552%0.518SS*.SBendtrans-66.4-25-179.3-178.80000111.1S8S8-V10 PolarHBondContact O-N 3.4Å
11N86.8Confident73.9Confident27 Ų2789.9 Ų89.914%0.14451%0.512CS..  trans-127.7102.2174.5179.3-10.6000109.7E9 N13 T14 T70 Q88E9-N11 PolarHBondContact O-N 2.96Å; N11-N13 PolarHBondContact O-N 3.37Å; N11-N13 WeakPolarHBondContact OD1-CB 3.45Å; N11-N13 PolarHBondContact OD1-N 2.85Å; N11-T14 HydrophobicContact CB-CG2 4.03Å; N11-T14 PolarHBondContact O-N 3.39Å; N11-T14 PolarHBondContact O-OG1 3.29Å; N11-T70 HydrophobicContact CB-CG2 4.31Å; N11-T70 VanDerWaalsContact CG-CG2 3.4Å; N11-T70 WeakPolarHBondContact OD1-CG2 3.12Å; N11-Q88 PolarHBondContact ND2-OE1 3.23Å; N11-Q88 PolarHBondContact OD1-OE1 3.02Å
12P87.6Confident76.3Confident54 Ų5481.9 Ų81.935%0.35147%0.473SS..G310 helixtrans-63.8-23.6-178.824.3-33.2000113.4T14 R15 V16P12-T14 PolarHBondContact O-N 3.22Å; P12-T14 VanDerWaalsContact O-N 3.16Å; P12-R15 PolarHBondContact O-N 3.37Å; P12-R15 VanDerWaalsContact O-N 3.16Å; P12-V16 VanDerWaalsContact O-CB 3.25Å; P12-V16 WeakPolarHBondContact O-CB 3.49Å; P12-V16 WeakPolarHBondContact O-CG1 3.33Å; P12-V16 PolarHBondContact O-N 2.76Å
13N91.1Very high78.7Confident15 Ų1575.5 Ų75.58%0.0844%0.436CS..G310 helixtrans-62.8-23179.5-64.6-22.4000112.9N11 R15 G69 T70 H85 Q88 M89N11-N13 PolarHBondContact O-N 3.37Å; N11-N13 WeakPolarHBondContact OD1-CB 3.45Å; N11-N13 PolarHBondContact OD1-N 2.85Å; N13-R15 VanDerWaalsContact C-N 3.28Å; N13-R15 PolarHBondContact O-N 2.89Å; N13-G69 PolarHBondContact ND2-O 2.74Å; N13-T70 WeakPolarHBondContact ND2-CG2 3.14Å; N13-H85 VanDerWaalsContact CG-CE1 3.48Å; N13-H85 PolarHBondContact OD1-CE1 2.94Å; N13-H85 PolarHBondContact OD1-ND1 3.22Å; N13-H85 VanDerWaalsContact OD1-ND1 3.07Å; N13-Q88 HydrophobicContact CB-CB 4.01Å; N13-Q88 PolarHBondContact ND2-OE1 3.29Å; N13-M89 WeakPolarHBondContact O-CA 3.34Å
14T90.4Very high80.8Confident7 Ų775.6 Ų75.64%0.04343%0.432CS..G310 helixtrans-68.7-29179.363.80000111.8N11 P12 D90 Y91N11-T14 HydrophobicContact CB-CG2 4.03Å; N11-T14 PolarHBondContact O-N 3.39Å; N11-T14 PolarHBondContact O-OG1 3.29Å; P12-T14 PolarHBondContact O-N 3.22Å; P12-T14 VanDerWaalsContact O-N 3.16Å; T14-D90 VanDerWaalsContact O-CA 3.27Å; T14-D90 WeakPolarHBondContact O-CA 3.43Å; T14-D90 PolarHBondContact O-N 3.4Å; T14-Y91 HydrophobicContact CG2-CD1 3.86Å; T14-Y91 HydrophobicContact CG2-CE1 3.83Å; T14-Y91 HydrophobicContact CG2-CG 4.33Å
15R90.1Very high83.1Confident140 Ų14076 Ų7653%0.52842%0.424SS..THydrogen-bonded Turntrans-131.8-11.6-171.1-65.8-170.673.3-140.91.8115.8E9 P12 N13 M17 N18 Y91E9-R15 WeakPolarHBondContact OE1-CD 3.29Å; P12-R15 PolarHBondContact O-N 3.37Å; P12-R15 VanDerWaalsContact O-N 3.16Å; N13-R15 VanDerWaalsContact C-N 3.28Å; N13-R15 PolarHBondContact O-N 2.89Å; R15-M17 PolarHBondContact O-N 3.48Å; R15-M17 VanDerWaalsContact O-N 3.17Å; R15-N18 VanDerWaalsContact O-CB 3.3Å; R15-N18 WeakPolarHBondContact O-CB 3.31Å; R15-N18 PolarHBondContact O-N 3.35Å; R15-Y91 HydrophobicContact CG-CE2 4.24Å
16V88.3Confident85.2Confident55 Ų5573 Ų7333%0.33340%0.402SS..G310 helixtrans-50.7-44.6-178.264.20000111.7P12 N18 S19 I22P12-V16 VanDerWaalsContact O-CB 3.25Å; P12-V16 WeakPolarHBondContact O-CB 3.49Å; P12-V16 WeakPolarHBondContact O-CG1 3.33Å; P12-V16 PolarHBondContact O-N 2.76Å; V16-N18 PolarHBondContact O-N 3.09Å; V16-N18 VanDerWaalsContact O-N 3.13Å; V16-S19 PolarHBondContact O-N 3.21Å; V16-I22 HydrophobicContact CB-CD1 4.47Å; V16-I22 HydrophobicContact CG2-CD1 3.41Å; V16-I22 VanDerWaalsContact CG2-CD1 3.41Å; V16-I22 WeakPolarHBondContact O-CD1 3.45Å
17M92.1Very high87.4Confident22 Ų2272.1 Ų72.111%0.10838%0.383CS..G310 helixtrans-69.3-11.3-179.2-161.457.957.600113.9R15 S19 I22 W23 M89 S98 L102R15-M17 PolarHBondContact O-N 3.48Å; R15-M17 VanDerWaalsContact O-N 3.17Å; M17-S19 PolarHBondContact O-N 2.89Å; M17-I22 HydrophobicContact CE-CG2 4.08Å; M17-I22 HydrophobicContact SD-CG2 3.57Å; M17-I22 VanDerWaalsContact SD-CG2 3.57Å; M17-W23 VanDerWaalsContact O-CD1 3.27Å; M17-W23 PolarHBondContact O-NE1 3.03Å; M17-M89 HydrophobicContact CB-CG 4.37Å; M17-M89 HydrophobicContact CB-SD 3.55Å; M17-M89 VanDerWaalsContact CB-SD 3.55Å; M17-M89 HydrophobicContact CG-SD 3.75Å; M17-S98 PolarHBondContact O-OG 3.48Å; M17-L102 HydrophobicContact CE-CD1 4.13Å; M17-L102 HydrophobicContact CG-CD1 3.69Å; M17-L102 HydrophobicContact CG-CG 4.24Å; M17-L102 HydrophobicContact SD-CD1 4.02Å; M17-L102 HydrophobicContact SD-CD2 4.09Å; M17-L102 HydrophobicContact SD-CG 4.28Å
18N92Very high89.7Confident63 Ų6369 Ų6934%0.33737%0.372SS..G310 helixtrans-75.8-10.4177.1-69.1-42.7000113.5R15 V16 D90 S98R15-N18 VanDerWaalsContact O-CB 3.3Å; R15-N18 WeakPolarHBondContact O-CB 3.31Å; R15-N18 PolarHBondContact O-N 3.35Å; V16-N18 PolarHBondContact O-N 3.09Å; V16-N18 VanDerWaalsContact O-N 3.13Å; N18-D90 PolarHBondContact ND2-OD1 3.41Å; N18-D90 PolarHBondContact OD1-OD1 2.81Å; N18-S98 PolarHBondContact OD1-OG 2.83Å
19S93.5Very high91.5Very high59 Ų5966 Ų6641%0.41336%0.357SS..  trans-71.5128.4177.8178.30000112.2V16 M17 G21 I22 W23V16-S19 PolarHBondContact O-N 3.21Å; M17-S19 PolarHBondContact O-N 2.89Å; S19-G21 PolarHBondContact O-N 3.44Å; S19-G21 PolarHBondContact OG-N 3.1Å; S19-I22 PolarHBondContact O-N 3.16Å; S19-I22 VanDerWaalsContact O-N 3.14Å; S19-W23 VanDerWaalsContact O-CD1 3.29Å; S19-W23 PolarHBondContact O-N 3.2Å
20R92.6Very high93.1Very high179 Ų17964.1 Ų64.168%0.67535%0.348SS*.Hα-helixtrans-60.8-32.8172.1-63.1-59.8-171.2-175.92.3112.5I22 W23 L24R20-I22 VanDerWaalsContact C-N 3.32Å; R20-I22 PolarHBondContact O-N 3.03Å; R20-W23 PolarHBondContact O-N 2.97Å; R20-L24 PolarHBondContact O-N 3.43Å
21G95.8Very high94.1Very high38 Ų3859.8 Ų59.839%0.39233%0.328SS..Hα-helixtrans-61.4-42.3175.500000111.5S19 W23 L24 S25S19-G21 PolarHBondContact O-N 3.44Å; S19-G21 PolarHBondContact OG-N 3.1Å; G21-W23 PolarHBondContact O-N 3.38Å; G21-L24 PolarHBondContact O-N 3.47Å; G21-S25 WeakPolarHBondContact O-CB 3.44Å; G21-S25 PolarHBondContact O-N 3.29Å; G21-S25 PolarHBondContact O-OG 3.2Å; G21-S25 VanDerWaalsContact O-OG 3.06Å
22I94.9Very high94.7Very high54 Ų5463.4 Ų63.428%0.27735%0.347SS..Hα-helixtrans-65.7-40.5177.1-76166.4000111.3V16 M17 S19 R20 L24 S25 Y26V16-I22 HydrophobicContact CB-CD1 4.47Å; V16-I22 HydrophobicContact CG2-CD1 3.41Å; V16-I22 VanDerWaalsContact CG2-CD1 3.41Å; V16-I22 WeakPolarHBondContact O-CD1 3.45Å; M17-I22 HydrophobicContact CE-CG2 4.08Å; M17-I22 HydrophobicContact SD-CG2 3.57Å; M17-I22 VanDerWaalsContact SD-CG2 3.57Å; S19-I22 PolarHBondContact O-N 3.16Å; S19-I22 VanDerWaalsContact O-N 3.14Å; R20-I22 VanDerWaalsContact C-N 3.32Å; R20-I22 PolarHBondContact O-N 3.03Å; I22-L24 VanDerWaalsContact C-N 3.33Å; I22-L24 PolarHBondContact O-N 2.86Å; I22-S25 PolarHBondContact O-N 2.72Å; I22-Y26 VanDerWaalsContact O-CB 3.23Å; I22-Y26 WeakPolarHBondContact O-CB 3.23Å; I22-Y26 PolarHBondContact O-N 2.79Å
23W96.5Very high95.2Very high40 Ų4062.7 Ų62.715%0.15234%0.34CS..Hα-helixtrans-61.5-44.6176.2-69.423.8000111.2M17 S19 R20 G21 Y26 I27 A97 F101M17-W23 VanDerWaalsContact O-CD1 3.27Å; M17-W23 PolarHBondContact O-NE1 3.03Å; S19-W23 VanDerWaalsContact O-CD1 3.29Å; S19-W23 PolarHBondContact O-N 3.2Å; R20-W23 PolarHBondContact O-N 2.97Å; G21-W23 PolarHBondContact O-N 3.38Å; W23-Y26 PolarHBondContact O-N 3.47Å; W23-I27 WeakPolarHBondContact O-CG1 3.34Å; W23-I27 PolarHBondContact O-N 3.09Å; W23-I27 VanDerWaalsContact O-N 3.08Å; W23-A97 HydrophobicContact CH2-CB 4.03Å; W23-A97 HydrophobicContact CZ2-CB 4.35Å; W23-F101 HydrophobicContact CB-CE1 4.03Å; W23-F101 HydrophobicContact CB-CE2 4.29Å; W23-F101 HydrophobicContact CB-CZ 3.79Å; W23-F101 HydrophobicContact CD2-CB 4.35Å; W23-F101 AromaticContact CD2-CD1 3.91Å; W23-F101 HydrophobicContact CD2-CD1 3.91Å; W23-F101 AromaticContact CD2-CD2 3.95Å; W23-F101 HydrophobicContact CD2-CD2 3.95Å; W23-F101 HydrophobicContact CD2-CE1 4.12Å; W23-F101 HydrophobicContact CD2-CE2 4.16Å; W23-F101 AromaticContact CD2-CG 3.8Å; W23-F101 HydrophobicContact CD2-CG 3.8Å; W23-F101 HydrophobicContact CD2-CZ 4.23Å; W23-F101 AromaticContact CE2-CG 3.98Å; W23-F101 HydrophobicContact CE3-CB 4.29Å; W23-F101 HydrophobicContact CE3-CD1 4.38Å; W23-F101 AromaticContact CE3-CD2 3.57Å; W23-F101 HydrophobicContact CE3-CD2 3.57Å; W23-F101 AromaticContact CE3-CE2 3.89Å; W23-F101 HydrophobicContact CE3-CE2 3.89Å; W23-F101 AromaticContact CE3-CG 3.83Å; W23-F101 HydrophobicContact CE3-CG 3.83Å; W23-F101 HydrophobicContact CE3-CZ 4.4Å; W23-F101 HydrophobicContact CG-CD1 4.02Å; W23-F101 AromaticContact CG-CE1 3.81Å; W23-F101 HydrophobicContact CG-CE1 3.81Å; W23-F101 HydrophobicContact CG-CE2 4.35Å; W23-F101 HydrophobicContact CG-CG 4.36Å; W23-F101 AromaticContact CG-CZ 3.97Å; W23-F101 HydrophobicContact CG-CZ 3.97Å; W23-F101 HydrophobicContact CH2-CB 3.82Å; W23-F101 HydrophobicContact CH2-CG 4.26Å; W23-F101 HydrophobicContact CZ2-CB 3.9Å; W23-F101 HydrophobicContact CZ2-CG 4.26Å; W23-F101 HydrophobicContact CZ3-CB 4.01Å; W23-F101 AromaticContact CZ3-CD2 3.87Å; W23-F101 HydrophobicContact CZ3-CD2 3.87Å; W23-F101 HydrophobicContact CZ3-CG 4.04Å
24L97.4Very high95.6Very high109 Ų10963.3 Ų63.357%0.57134%0.343SS*.Hα-helixtrans-62.2-50.8176.717961.1000111.2R20 G21 I22 Y26 I27 L28R20-L24 PolarHBondContact O-N 3.43Å; G21-L24 PolarHBondContact O-N 3.47Å; I22-L24 VanDerWaalsContact C-N 3.33Å; I22-L24 PolarHBondContact O-N 2.86Å; L24-Y26 PolarHBondContact O-N 3.15Å; L24-I27 PolarHBondContact O-N 3.33Å; L24-L28 HydrophobicContact CD1-CD1 4.1Å; L24-L28 HydrophobicContact CD1-CG 4.12Å; L24-L28 HydrophobicContact CG-CD1 3.92Å; L24-L28 HydrophobicContact CG-CG 4.36Å; L24-L28 WeakPolarHBondContact O-CB 3.49Å; L24-L28 VanDerWaalsContact O-CG 3.32Å; L24-L28 WeakPolarHBondContact O-CG 3.41Å; L24-L28 PolarHBondContact O-N 3.06Å
25S97.2Very high95.9Very high80 Ų8068 Ų6856%0.55937%0.366SS*.Hα-helixtrans-58.1-37.6177.9-640000112.4G21 I22 G29G21-S25 WeakPolarHBondContact O-CB 3.44Å; G21-S25 PolarHBondContact O-N 3.29Å; G21-S25 PolarHBondContact O-OG 3.2Å; G21-S25 VanDerWaalsContact O-OG 3.06Å; I22-S25 PolarHBondContact O-N 2.72Å; S25-G29 PolarHBondContact O-N 3.32Å
26Y97.5Very high96.3Very high35 Ų3565.9 Ų65.914%0.13736%0.364CS..Hα-helixtrans-65.1-47.1176.5170-102000112.2I22 W23 L24 G29 I30 H56 M60 F101 L102 T105I22-Y26 VanDerWaalsContact O-CB 3.23Å; I22-Y26 WeakPolarHBondContact O-CB 3.23Å; I22-Y26 PolarHBondContact O-N 2.79Å; W23-Y26 PolarHBondContact O-N 3.47Å; L24-Y26 PolarHBondContact O-N 3.15Å; Y26-G29 PolarHBondContact O-N 2.91Å; Y26-I30 HydrophobicContact CD1-CD1 4.29Å; Y26-I30 HydrophobicContact CE1-CD1 3.88Å; Y26-I30 HydrophobicContact CE2-CD1 4.22Å; Y26-I30 WeakPolarHBondContact O-CG1 3.28Å; Y26-I30 PolarHBondContact O-N 3.36Å; Y26-I30 VanDerWaalsContact O-N 3.08Å; Y26-H56 AromaticContact CE2-NE2 3.67Å; Y26-H56 AromaticContact CZ-NE2 3.41Å; Y26-H56 PolarHBondContact OH-CE1 3.38Å; Y26-H56 PolarHBondContact OH-NE2 3.29Å; Y26-M60 HydrophobicContact CD2-SD 4.34Å; Y26-M60 HydrophobicContact CE2-CE 3.9Å; Y26-M60 HydrophobicContact CE2-CG 4.27Å; Y26-M60 HydrophobicContact CE2-SD 3.53Å; Y26-M60 VanDerWaalsContact CE2-SD 3.53Å; Y26-F101 AromaticContact CD1-CE1 3.43Å; Y26-F101 HydrophobicContact CD1-CE1 3.43Å; Y26-F101 VanDerWaalsContact CD1-CE1 3.43Å; Y26-F101 AromaticContact CD1-CZ 3.54Å; Y26-F101 HydrophobicContact CD1-CZ 3.54Å; Y26-F101 AromaticContact CE1-CE1 3.73Å; Y26-F101 HydrophobicContact CE1-CE1 3.73Å; Y26-F101 AromaticContact CE1-CZ 3.95Å; Y26-F101 HydrophobicContact CE1-CZ 3.95Å; Y26-F101 HydrophobicContact CG-CE1 4.29Å; Y26-L102 HydrophobicContact CE1-CD2 4.43Å; Y26-T105 HydrophobicContact CE1-CG2 3.51Å
27I98.2Very high96.8Very high78 Ų7864 Ų6440%0.435%0.352SS..Hα-helixtrans-64.1-43175.9-62.9-58.8000111.3W23 L24 G29 I30 G31 F101 T105W23-I27 WeakPolarHBondContact O-CG1 3.34Å; W23-I27 PolarHBondContact O-N 3.09Å; W23-I27 VanDerWaalsContact O-N 3.08Å; L24-I27 PolarHBondContact O-N 3.33Å; I27-G29 VanDerWaalsContact C-N 3.28Å; I27-G29 PolarHBondContact O-N 3.07Å; I27-I30 PolarHBondContact O-N 2.96Å; I27-G31 PolarHBondContact O-N 3.44Å; I27-F101 HydrophobicContact CD1-CE2 4.17Å; I27-F101 HydrophobicContact CD1-CZ 3.95Å; I27-F101 HydrophobicContact CG1-CE2 4.33Å; I27-F101 HydrophobicContact CG1-CZ 3.99Å; I27-T105 HydrophobicContact CD1-CG2 4.09Å
28L98.4Very high97.1Very high107 Ų10766.9 Ų66.956%0.5637%0.368SS*.Hα-helixtrans-61.8-37.4175-69.5176.2000111.6L24 G31 L32L24-L28 HydrophobicContact CD1-CD1 4.1Å; L24-L28 HydrophobicContact CD1-CG 4.12Å; L24-L28 HydrophobicContact CG-CD1 3.92Å; L24-L28 HydrophobicContact CG-CG 4.36Å; L24-L28 WeakPolarHBondContact O-CB 3.49Å; L24-L28 VanDerWaalsContact O-CG 3.32Å; L24-L28 WeakPolarHBondContact O-CG 3.41Å; L24-L28 PolarHBondContact O-N 3.06Å; L28-G31 PolarHBondContact O-N 2.9Å; L28-L32 VanDerWaalsContact O-CB 3.3Å; L28-L32 WeakPolarHBondContact O-CB 3.27Å; L28-L32 PolarHBondContact O-N 3.32Å
29G98.6Very high97.4Very high37 Ų3768.1 Ų68.138%0.38138%0.382SS..Hα-helixtrans-62.6-41.9175.700000112.8S25 Y26 I27 L32 L33S25-G29 PolarHBondContact O-N 3.32Å; Y26-G29 PolarHBondContact O-N 2.91Å; I27-G29 VanDerWaalsContact C-N 3.28Å; I27-G29 PolarHBondContact O-N 3.07Å; G29-L32 PolarHBondContact O-N 3.2Å; G29-L33 WeakPolarHBondContact O-CB 3.33Å; G29-L33 PolarHBondContact O-N 3.21Å
30I98.6Very high97.6Very high24 Ų2469 Ų6912%0.12338%0.381CS..Hα-helixtrans-63-46.3173.5-63.5168.9000110.4Y26 I27 L33 H34 T52 T105 L109Y26-I30 HydrophobicContact CD1-CD1 4.29Å; Y26-I30 HydrophobicContact CE1-CD1 3.88Å; Y26-I30 HydrophobicContact CE2-CD1 4.22Å; Y26-I30 WeakPolarHBondContact O-CG1 3.28Å; Y26-I30 PolarHBondContact O-N 3.36Å; Y26-I30 VanDerWaalsContact O-N 3.08Å; I27-I30 PolarHBondContact O-N 2.96Å; I30-L33 PolarHBondContact O-N 3.22Å; I30-H34 PolarHBondContact O-N 3.41Å; I30-T52 HydrophobicContact CG2-CG2 4.37Å; I30-T105 HydrophobicContact CD1-CG2 3.62Å; I30-L109 HydrophobicContact CG2-CD1 4.37Å; I30-L109 HydrophobicContact CG2-CD2 4.29Å
31G98.6Very high97.7Very high32 Ų3264.7 Ų64.733%0.3338%0.376SS..Hα-helixtrans-61.5-43.6177.800000112.6I27 L28 H34 I35I27-G31 PolarHBondContact O-N 3.44Å; L28-G31 PolarHBondContact O-N 2.9Å; G31-H34 WeakPolarHBondContact O-CB 3.38Å; G31-H34 PolarHBondContact O-N 3.38Å; G31-I35 WeakPolarHBondContact O-CG1 3.43Å; G31-I35 PolarHBondContact O-N 3.43Å
32L98.8Very high97.7Very high103 Ų10372.9 Ų72.954%0.53940%0.401SS..Hα-helixtrans-62.7-46.9176.9178.661.4000111.4L28 G29 H34 I35 I36L28-L32 VanDerWaalsContact O-CB 3.3Å; L28-L32 WeakPolarHBondContact O-CB 3.27Å; L28-L32 PolarHBondContact O-N 3.32Å; G29-L32 PolarHBondContact O-N 3.2Å; L32-H34 VanDerWaalsContact C-N 3.27Å; L32-H34 PolarHBondContact O-N 3.06Å; L32-I35 PolarHBondContact O-N 2.95Å; L32-I36 HydrophobicContact CD1-CD1 4.08Å; L32-I36 HydrophobicContact CD1-CG1 4.28Å; L32-I36 HydrophobicContact CG-CD1 3.89Å; L32-I36 VanDerWaalsContact O-CG1 3.28Å; L32-I36 WeakPolarHBondContact O-CG1 3.33Å; L32-I36 PolarHBondContact O-N 2.89Å
33L98.6Very high97.7Very high40 Ų4072.7 Ų72.721%0.20940%0.402CS..Hα-helixtrans-54.1-47.1173.3170.764.8000110.8G29 I30 I35 I36 L37 T52 I55G29-L33 WeakPolarHBondContact O-CB 3.33Å; G29-L33 PolarHBondContact O-N 3.21Å; I30-L33 PolarHBondContact O-N 3.22Å; L33-I35 PolarHBondContact O-N 2.71Å; L33-I36 PolarHBondContact O-N 2.63Å; L33-L37 HydrophobicContact CD1-CD1 3.99Å; L33-L37 HydrophobicContact CD1-CG 4.15Å; L33-L37 HydrophobicContact CG-CD1 4.08Å; L33-L37 WeakPolarHBondContact O-CG 3.5Å; L33-L37 PolarHBondContact O-N 3.24Å; L33-T52 HydrophobicContact CD2-CG2 4.35Å; L33-I55 HydrophobicContact CD1-CD1 4.3Å; L33-I55 HydrophobicContact CD1-CG2 4.09Å; L33-I55 HydrophobicContact CD2-CB 4.02Å; L33-I55 HydrophobicContact CD2-CG2 3.69Å
34H98.6Very high97.8Very high27 Ų2773.7 Ų73.713%0.12542%0.416CS..Hα-helixtrans-61.6-44.6-179.9-168.768.1000112.1I30 G31 L32 L37 L38 W49 T52I30-H34 PolarHBondContact O-N 3.41Å; G31-H34 WeakPolarHBondContact O-CB 3.38Å; G31-H34 PolarHBondContact O-N 3.38Å; L32-H34 VanDerWaalsContact C-N 3.27Å; L32-H34 PolarHBondContact O-N 3.06Å; H34-L37 PolarHBondContact O-N 3.16Å; H34-L38 WeakPolarHBondContact O-CB 3.41Å; H34-L38 WeakPolarHBondContact O-CG 3.37Å; H34-L38 PolarHBondContact O-N 3.22Å; H34-W49 AromaticContact CE1-CD2 3.56Å; H34-W49 AromaticContact CE1-CE2 3.48Å; H34-W49 VanDerWaalsContact CE1-CE2 3.48Å; H34-W49 AromaticContact CE1-CE3 4Å; H34-W49 AromaticContact CE1-CG 3.92Å; H34-W49 AromaticContact CE1-CZ2 3.86Å; H34-W49 AromaticContact CE1-NE1 3.76Å; H34-W49 AromaticContact NE2-CE2 3.65Å; H34-W49 AromaticContact NE2-CZ2 3.68Å; H34-W49 AromaticContact NE2-NE1 3.9Å; H34-T52 HydrophobicContact CB-CG2 4.02Å; H34-T52 PolarHBondContact ND1-OG1 3.04Å
35I98.5Very high97.8Very high105 Ų10572.1 Ų72.154%0.53841%0.411SS..Hα-helixtrans-63.6-42177.5-68.8166.2000111.3G31 L32 L33 L37 L38 S39G31-I35 WeakPolarHBondContact O-CG1 3.43Å; G31-I35 PolarHBondContact O-N 3.43Å; L32-I35 PolarHBondContact O-N 2.95Å; L33-I35 PolarHBondContact O-N 2.71Å; I35-L37 VanDerWaalsContact C-N 3.33Å; I35-L37 PolarHBondContact O-N 3.49Å; I35-L38 PolarHBondContact O-N 3.16Å; I35-S39 PolarHBondContact O-N 3.49Å; I35-S39 VanDerWaalsContact O-N 3.09Å; I35-S39 PolarHBondContact O-OG 2.72Å
36I98.6Very high97.9Very high96 Ų9670.2 Ų70.249%0.49240%0.396SS..Hα-helixtrans-59.3-47.1175.6-70.7166.8000109.9L32 L33 S39L32-I36 HydrophobicContact CD1-CD1 4.08Å; L32-I36 HydrophobicContact CD1-CG1 4.28Å; L32-I36 HydrophobicContact CG-CD1 3.89Å; L32-I36 VanDerWaalsContact O-CG1 3.28Å; L32-I36 WeakPolarHBondContact O-CG1 3.33Å; L32-I36 PolarHBondContact O-N 2.89Å; L33-I36 PolarHBondContact O-N 2.63Å; I36-S39 WeakPolarHBondContact O-CB 3.37Å; I36-S39 PolarHBondContact O-N 2.91Å; I36-S39 VanDerWaalsContact O-N 3.15Å
37L98.4Very high97.9Very high15 Ų1571.1 Ų71.18%0.07941%0.405CS..Hα-helixtrans-66.1-38.2179-68.2172.2000112.7L33 H34 I35 S39 I40 V48 L51 T52 I55L33-L37 HydrophobicContact CD1-CD1 3.99Å; L33-L37 HydrophobicContact CD1-CG 4.15Å; L33-L37 HydrophobicContact CG-CD1 4.08Å; L33-L37 WeakPolarHBondContact O-CG 3.5Å; L33-L37 PolarHBondContact O-N 3.24Å; H34-L37 PolarHBondContact O-N 3.16Å; I35-L37 VanDerWaalsContact C-N 3.33Å; I35-L37 PolarHBondContact O-N 3.49Å; L37-S39 PolarHBondContact O-N 2.97Å; L37-I40 HydrophobicContact CD2-CD1 3.98Å; L37-I40 WeakPolarHBondContact O-CB 3.42Å; L37-I40 WeakPolarHBondContact O-CG1 3.38Å; L37-I40 PolarHBondContact O-N 3.5Å; L37-V48 HydrophobicContact CB-CG1 3.61Å; L37-V48 HydrophobicContact CB-CG2 4.48Å; L37-L51 HydrophobicContact CD1-CB 3.92Å; L37-T52 WeakPolarHBondContact CD1-OG1 3.28Å; L37-I55 HydrophobicContact CD1-CD1 4.21Å; L37-I55 HydrophobicContact CD2-CD1 4.29Å
38L98.3Very high97.9Very high83 Ų8367.5 Ų67.544%0.43539%0.387SS..Hα-helixtrans-63-24.2173.9-77.6175.4000112.8H34 I35 I40 V45 V48H34-L38 WeakPolarHBondContact O-CB 3.41Å; H34-L38 WeakPolarHBondContact O-CG 3.37Å; H34-L38 PolarHBondContact O-N 3.22Å; I35-L38 PolarHBondContact O-N 3.16Å; L38-I40 VanDerWaalsContact C-N 3.26Å; L38-I40 PolarHBondContact O-N 2.99Å; L38-V45 HydrophobicContact CD2-CG2 4.36Å; L38-V48 HydrophobicContact CD2-CB 4.12Å; L38-V48 HydrophobicContact CD2-CG1 3.77Å; L38-V48 HydrophobicContact CD2-CG2 4.22Å; L38-V48 HydrophobicContact CG-CG1 3.81Å
39S97.8Very high98Very high90 Ų9063.9 Ų63.963%0.62937%0.366SS*.THydrogen-bonded Turntrans-79.7-7.3179.7-560000113I35 I36 L37I35-S39 PolarHBondContact O-N 3.49Å; I35-S39 VanDerWaalsContact O-N 3.09Å; I35-S39 PolarHBondContact O-OG 2.72Å; I36-S39 WeakPolarHBondContact O-CB 3.37Å; I36-S39 PolarHBondContact O-N 2.91Å; I36-S39 VanDerWaalsContact O-N 3.15Å; L37-S39 PolarHBondContact O-N 2.97Å
40I97.4Very high98Very high76 Ų7662.7 Ų62.739%0.3935%0.351SS..SBendtrans-79120179.2-55175.7000109L37 L38 V43L37-I40 HydrophobicContact CD2-CD1 3.98Å; L37-I40 WeakPolarHBondContact O-CB 3.42Å; L37-I40 WeakPolarHBondContact O-CG1 3.38Å; L37-I40 PolarHBondContact O-N 3.5Å; L38-I40 VanDerWaalsContact C-N 3.26Å; L38-I40 PolarHBondContact O-N 2.99Å; I40-V43 HydrophobicContact CB-CG2 3.92Å; I40-V43 HydrophobicContact CG2-CG2 3.56Å
41P95.9Very high98Very high89 Ų8964.4 Ų64.458%0.57836%0.36SS*.THydrogen-bonded Turntrans-64.2150.2179.328.8-35.2000110.8V43P41-V43 PolarHBondContact O-N 3.15Å; P41-V43 VanDerWaalsContact O-N 3.14Å
42F94.6Very high98Very high211 Ų21163 Ų6393%0.92535%0.345SS*.THydrogen-bonded Turntrans67.61.1177.3-39.9-68.3000116.3
43V96.2Very high98Very high49 Ų4958 Ų5830%0.29732%0.319SS..  trans-89.7126.7171.1-1720000109.5I40 P41 V47 V48I40-V43 HydrophobicContact CB-CG2 3.92Å; I40-V43 HydrophobicContact CG2-CG2 3.56Å; P41-V43 PolarHBondContact O-N 3.15Å; P41-V43 VanDerWaalsContact O-N 3.14Å; V43-V47 HydrophobicContact CG1-CB 3.9Å; V43-V47 HydrophobicContact CG1-CG1 3.61Å; V43-V48 HydrophobicContact CB-CG2 4.2Å; V43-V48 HydrophobicContact CG1-CG2 3.61Å
44S97.6Very high98Very high62 Ų6258.6 Ų58.643%0.43432%0.322SS..  trans-75.5151.6179.471.90000111.9V47 V48S44-V47 WeakPolarHBondContact O-CB 3.33Å; S44-V47 PolarHBondContact O-N 3.13Å; S44-V47 VanDerWaalsContact OG-CG2 3.29Å; S44-V47 WeakPolarHBondContact OG-CG2 3.43Å; S44-V48 PolarHBondContact O-N 2.62Å
45V98Very high98Very high76 Ų7660.3 Ų60.346%0.46133%0.331SS..Hα-helixtrans-53.9-44.1179.6174.70000113.2L38 V47 V48 W49L38-V45 HydrophobicContact CD2-CG2 4.36Å; V45-V47 VanDerWaalsContact C-N 3.32Å; V45-V47 PolarHBondContact O-N 2.91Å; V45-V48 PolarHBondContact O-N 3.32Å; V45-W49 VanDerWaalsContact O-CD1 3.3Å; V45-W49 PolarHBondContact O-N 3.39Å
46P98.3Very high98Very high40 Ų4055.8 Ų55.826%0.2631%0.308SS..Hα-helixtrans-58.8-39.7174.8-27.537.3000113.9W49 T50 T117P46-W49 PolarHBondContact O-N 3.42Å; P46-T50 PolarHBondContact O-N 2.9Å; P46-T50 VanDerWaalsContact O-N 3.1Å; P46-T50 PolarHBondContact O-OG1 3.48Å; P46-T117 HydrophobicContact CB-CG2 3.97Å; P46-T117 WeakPolarHBondContact O-CG2 3.23Å
47V98.4Very high98Very high53 Ų5351.2 Ų51.232%0.32128%0.284SS..Hα-helixtrans-66.4-42.6176.71740000110V43 S44 V45 W49 T50 L51V43-V47 HydrophobicContact CG1-CB 3.9Å; V43-V47 HydrophobicContact CG1-CG1 3.61Å; S44-V47 WeakPolarHBondContact O-CB 3.33Å; S44-V47 PolarHBondContact O-N 3.13Å; S44-V47 VanDerWaalsContact OG-CG2 3.29Å; S44-V47 WeakPolarHBondContact OG-CG2 3.43Å; V45-V47 VanDerWaalsContact C-N 3.32Å; V45-V47 PolarHBondContact O-N 2.91Å; V47-W49 PolarHBondContact O-N 3.4Å; V47-T50 PolarHBondContact O-N 2.83Å; V47-T50 VanDerWaalsContact O-N 3.16Å; V47-L51 HydrophobicContact CG1-CD1 3.92Å; V47-L51 HydrophobicContact CG1-CG 4.16Å; V47-L51 WeakPolarHBondContact O-CG 3.35Å; V47-L51 PolarHBondContact O-N 2.81Å
48V98.7Very high98Very high2 Ų255.3 Ų55.31%0.01231%0.306CS..Hα-helixtrans-59-45.1176.3172.80000112.1L37 L38 V43 S44 V45 T50 L51 T52L37-V48 HydrophobicContact CB-CG1 3.61Å; L37-V48 HydrophobicContact CB-CG2 4.48Å; L38-V48 HydrophobicContact CD2-CB 4.12Å; L38-V48 HydrophobicContact CD2-CG1 3.77Å; L38-V48 HydrophobicContact CD2-CG2 4.22Å; L38-V48 HydrophobicContact CG-CG1 3.81Å; V43-V48 HydrophobicContact CB-CG2 4.2Å; V43-V48 HydrophobicContact CG1-CG2 3.61Å; S44-V48 PolarHBondContact O-N 2.62Å; V45-V48 PolarHBondContact O-N 3.32Å; V48-T50 VanDerWaalsContact C-N 3.33Å; V48-T50 PolarHBondContact O-N 3.47Å; V48-L51 PolarHBondContact O-N 3.38Å; V48-T52 WeakPolarHBondContact O-CB 3.43Å; V48-T52 PolarHBondContact O-N 2.96Å; V48-T52 PolarHBondContact O-OG1 3.23Å
49W98.7Very high98Very high31 Ų3154.2 Ų54.212%0.11730%0.304CS..Hα-helixtrans-59.3-44174.9-83.8102.8000112.2H34 V45 P46 V47 T52 N53 L109 L112 T113 Y116H34-W49 AromaticContact CE1-CD2 3.56Å; H34-W49 AromaticContact CE1-CE2 3.48Å; H34-W49 VanDerWaalsContact CE1-CE2 3.48Å; H34-W49 AromaticContact CE1-CE3 4Å; H34-W49 AromaticContact CE1-CG 3.92Å; H34-W49 AromaticContact CE1-CZ2 3.86Å; H34-W49 AromaticContact CE1-NE1 3.76Å; H34-W49 AromaticContact NE2-CE2 3.65Å; H34-W49 AromaticContact NE2-CZ2 3.68Å; H34-W49 AromaticContact NE2-NE1 3.9Å; V45-W49 VanDerWaalsContact O-CD1 3.3Å; V45-W49 PolarHBondContact O-N 3.39Å; P46-W49 PolarHBondContact O-N 3.42Å; V47-W49 PolarHBondContact O-N 3.4Å; W49-T52 WeakPolarHBondContact O-CB 3.29Å; W49-T52 PolarHBondContact O-N 3.32Å; W49-N53 PolarHBondContact O-N 3.25Å; W49-L109 HydrophobicContact CE3-CD1 4.36Å; W49-L109 HydrophobicContact CZ3-CD1 3.99Å; W49-L112 HydrophobicContact CE3-CB 4.34Å; W49-L112 HydrophobicContact CH2-CB 4.17Å; W49-L112 HydrophobicContact CH2-CD1 4.31Å; W49-L112 HydrophobicContact CZ3-CB 3.77Å; W49-L112 HydrophobicContact CZ3-CD1 4.27Å; W49-T113 HydrophobicContact CB-CG2 4.05Å; W49-T113 PolarHBondContact O-OG1 3.13Å; W49-Y116 AromaticContact CD1-CG 3.76Å; W49-Y116 AromaticContact CD2-CD2 3.82Å; W49-Y116 HydrophobicContact CD2-CD2 3.82Å; W49-Y116 HydrophobicContact CD2-CG 4.21Å; W49-Y116 AromaticContact CE2-CD2 3.24Å; W49-Y116 AromaticContact CE2-CE2 3.74Å; W49-Y116 AromaticContact CE2-CG 3.64Å; W49-Y116 HydrophobicContact CE3-CD2 4.39Å; W49-Y116 HydrophobicContact CG-CD2 4.36Å; W49-Y116 HydrophobicContact CG-CG 4.29Å; W49-Y116 HydrophobicContact CH2-CD2 4.01Å; W49-Y116 AromaticContact CH2-CE2 3.91Å; W49-Y116 HydrophobicContact CH2-CE2 3.91Å; W49-Y116 AromaticContact CZ2-CD2 3.36Å; W49-Y116 HydrophobicContact CZ2-CD2 3.36Å; W49-Y116 AromaticContact CZ2-CE2 3.33Å; W49-Y116 HydrophobicContact CZ2-CE2 3.33Å; W49-Y116 HydrophobicContact CZ2-CG 4.13Å; W49-Y116 HydrophobicContact CZ3-CD2 4.48Å; W49-Y116 AromaticContact NE1-CD1 3.82Å; W49-Y116 AromaticContact NE1-CD2 3.48Å; W49-Y116 AromaticContact NE1-CG 3.31Å; W49-Y116 VanDerWaalsContact NE1-CG 3.31Å
50T98.7Very high98Very high12 Ų1250.5 Ų50.57%0.07428%0.277CS..Hα-helixtrans-62.7-48.2176.5-64.60000111.7P46 V47 V48 T52 N53 L54 H123 V126 N127P46-T50 PolarHBondContact O-N 2.9Å; P46-T50 VanDerWaalsContact O-N 3.1Å; P46-T50 PolarHBondContact O-OG1 3.48Å; V47-T50 PolarHBondContact O-N 2.83Å; V47-T50 VanDerWaalsContact O-N 3.16Å; V48-T50 VanDerWaalsContact C-N 3.33Å; V48-T50 PolarHBondContact O-N 3.47Å; T50-T52 VanDerWaalsContact C-N 3.3Å; T50-T52 PolarHBondContact O-N 3.04Å; T50-N53 PolarHBondContact O-N 3.34Å; T50-L54 HydrophobicContact CG2-CD1 4.03Å; T50-L54 HydrophobicContact CG2-CG 4.2Å; T50-L54 WeakPolarHBondContact O-CB 3.28Å; T50-L54 VanDerWaalsContact O-CG 3.28Å; T50-L54 WeakPolarHBondContact O-CG 3.48Å; T50-L54 PolarHBondContact O-N 2.94Å; T50-H123 PolarHBondContact OG1-ND1 3.35Å; T50-V126 HydrophobicContact CG2-CG1 4.21Å; T50-N127 PolarHBondContact OG1-ND2 3.21Å; T50-N127 VanDerWaalsContact OG1-ND2 3.09Å
51L98.7Very high97.9Very high61 Ų6150 Ų5032%0.31927%0.271SS..Hα-helixtrans-60.3-40.3177.3-70.9176.2000111.9L37 V47 V48 N53 L54 I55L37-L51 HydrophobicContact CD1-CB 3.92Å; V47-L51 HydrophobicContact CG1-CD1 3.92Å; V47-L51 HydrophobicContact CG1-CG 4.16Å; V47-L51 WeakPolarHBondContact O-CG 3.35Å; V47-L51 PolarHBondContact O-N 2.81Å; V48-L51 PolarHBondContact O-N 3.38Å; L51-N53 PolarHBondContact O-N 2.74Å; L51-L54 PolarHBondContact O-N 2.86Å; L51-I55 WeakPolarHBondContact O-CB 3.27Å; L51-I55 VanDerWaalsContact O-CG1 3.27Å; L51-I55 WeakPolarHBondContact O-CG1 3.33Å; L51-I55 PolarHBondContact O-N 3.44Å
52T98.8Very high97.9Very high1 Ų149.7 Ų49.71%0.00626%0.264CS..Hα-helixtrans-59-48.7176.5-54.80000110.5I30 L33 H34 L37 V48 W49 T50 H56 L109I30-T52 HydrophobicContact CG2-CG2 4.37Å; L33-T52 HydrophobicContact CD2-CG2 4.35Å; H34-T52 HydrophobicContact CB-CG2 4.02Å; H34-T52 PolarHBondContact ND1-OG1 3.04Å; L37-T52 WeakPolarHBondContact CD1-OG1 3.28Å; V48-T52 WeakPolarHBondContact O-CB 3.43Å; V48-T52 PolarHBondContact O-N 2.96Å; V48-T52 PolarHBondContact O-OG1 3.23Å; W49-T52 WeakPolarHBondContact O-CB 3.29Å; W49-T52 PolarHBondContact O-N 3.32Å; T50-T52 VanDerWaalsContact C-N 3.3Å; T50-T52 PolarHBondContact O-N 3.04Å; T52-H56 WeakPolarHBondContact O-CB 3.42Å; T52-H56 PolarHBondContact O-N 3.44Å; T52-L109 HydrophobicContact CG2-CD1 4.29Å
53N98.6Very high97.9Very high0 Ų044.4 Ų44.40%025%0.245CC..Hα-helixtrans-66-42.5179.2-174.356.4000112.4W49 T50 L51 N57 L109 T113 N127W49-N53 PolarHBondContact O-N 3.25Å; T50-N53 PolarHBondContact O-N 3.34Å; L51-N53 PolarHBondContact O-N 2.74Å; N53-N57 WeakPolarHBondContact O-CB 3.27Å; N53-N57 PolarHBondContact O-N 3.32Å; N53-N57 PolarHBondContact O-ND2 3Å; N53-N57 PolarHBondContact OD1-ND2 3.34Å; N53-L109 HydrophobicContact CB-CD2 4.34Å; N53-L109 HydrophobicContact CB-CG 4.21Å; N53-T113 HydrophobicContact CB-CG2 4.41Å; N53-N127 WeakPolarHBondContact CB-OD1 3.45Å; N53-N127 PolarHBondContact ND2-OD1 3.17Å
54L98.8Very high97.9Very high52 Ų5242.2 Ų42.227%0.27223%0.232SC..Hα-helixtrans-63.4-50.9178.3-69.8-174.4000112.4T50 L51 H56 N57 L58 V126 S130T50-L54 HydrophobicContact CG2-CD1 4.03Å; T50-L54 HydrophobicContact CG2-CG 4.2Å; T50-L54 WeakPolarHBondContact O-CB 3.28Å; T50-L54 VanDerWaalsContact O-CG 3.28Å; T50-L54 WeakPolarHBondContact O-CG 3.48Å; T50-L54 PolarHBondContact O-N 2.94Å; L51-L54 PolarHBondContact O-N 2.86Å; L54-H56 VanDerWaalsContact C-N 3.34Å; L54-N57 PolarHBondContact O-N 3.34Å; L54-L58 WeakPolarHBondContact O-CB 3.36Å; L54-L58 PolarHBondContact O-N 2.93Å; L54-V126 HydrophobicContact CD1-CG1 3.88Å; L54-V126 HydrophobicContact CD2-CG1 3.87Å; L54-V126 HydrophobicContact CG-CG1 4.31Å; L54-S130 WeakPolarHBondContact CD2-OG 3.37Å
55I98.8Very high97.7Very high62 Ų6239.9 Ų39.932%0.31821%0.214SC..Hα-helixtrans-63.6-44.6-179.8-68.4166.3000109.7L33 L37 L51 N57 L58 C59L33-I55 HydrophobicContact CD1-CD1 4.3Å; L33-I55 HydrophobicContact CD1-CG2 4.09Å; L33-I55 HydrophobicContact CD2-CB 4.02Å; L33-I55 HydrophobicContact CD2-CG2 3.69Å; L37-I55 HydrophobicContact CD1-CD1 4.21Å; L37-I55 HydrophobicContact CD2-CD1 4.29Å; L51-I55 WeakPolarHBondContact O-CB 3.27Å; L51-I55 VanDerWaalsContact O-CG1 3.27Å; L51-I55 WeakPolarHBondContact O-CG1 3.33Å; L51-I55 PolarHBondContact O-N 3.44Å; I55-N57 PolarHBondContact O-N 2.92Å; I55-L58 PolarHBondContact O-N 2.89Å; I55-C59 WeakPolarHBondContact O-CB 3.4Å; I55-C59 PolarHBondContact O-N 3.36Å; I55-C59 PolarHBondContact O-SG 3.48Å
56H98.8Very high97.4Very high10 Ų1038.4 Ų38.45%0.04621%0.205CC..Hα-helixtrans-55-54174.7169.3-92.4000111.6Y26 T52 L54 L58 C59 M60 L109Y26-H56 AromaticContact CE2-NE2 3.67Å; Y26-H56 AromaticContact CZ-NE2 3.41Å; Y26-H56 PolarHBondContact OH-CE1 3.38Å; Y26-H56 PolarHBondContact OH-NE2 3.29Å; T52-H56 WeakPolarHBondContact O-CB 3.42Å; T52-H56 PolarHBondContact O-N 3.44Å; L54-H56 VanDerWaalsContact C-N 3.34Å; H56-L58 VanDerWaalsContact C-N 3.34Å; H56-L58 PolarHBondContact O-N 3.28Å; H56-C59 PolarHBondContact O-N 3.24Å; H56-M60 WeakPolarHBondContact NE2-CG 3.42Å; H56-M60 WeakPolarHBondContact O-CB 3.2Å; H56-M60 VanDerWaalsContact O-CG 3.26Å; H56-M60 WeakPolarHBondContact O-CG 3.29Å; H56-M60 PolarHBondContact O-N 2.97Å; H56-L109 HydrophobicContact CB-CD2 3.73Å
57N98.6Very high97Very high0 Ų039.2 Ų39.20%021%0.209CC..Hα-helixtrans-65.2-37.6-176.7-69-20.3000112.1N53 L54 I55 M60 Y61 P106 S130 V134N53-N57 WeakPolarHBondContact O-CB 3.27Å; N53-N57 PolarHBondContact O-N 3.32Å; N53-N57 PolarHBondContact O-ND2 3Å; N53-N57 PolarHBondContact OD1-ND2 3.34Å; L54-N57 PolarHBondContact O-N 3.34Å; I55-N57 PolarHBondContact O-N 2.92Å; N57-M60 PolarHBondContact O-N 2.98Å; N57-Y61 VanDerWaalsContact O-CB 3.27Å; N57-Y61 WeakPolarHBondContact O-CB 3.39Å; N57-Y61 PolarHBondContact O-N 3.04Å; N57-P106 WeakPolarHBondContact OD1-CB 3.19Å; N57-S130 VanDerWaalsContact CB-OG 3.27Å; N57-S130 WeakPolarHBondContact CB-OG 3.32Å; N57-S130 PolarHBondContact ND2-OG 3.14Å; N57-V134 HydrophobicContact CB-CG1 4.32Å
58L98.4Very high96.7Very high102 Ų10238.7 Ų38.753%0.53420%0.202SC..Hα-helixtrans-61.9-52174.4177.261.3000111.3L54 I55 H56 M60 Y61 L62L54-L58 WeakPolarHBondContact O-CB 3.36Å; L54-L58 PolarHBondContact O-N 2.93Å; I55-L58 PolarHBondContact O-N 2.89Å; H56-L58 VanDerWaalsContact C-N 3.34Å; H56-L58 PolarHBondContact O-N 3.28Å; L58-M60 VanDerWaalsContact C-N 3.3Å; L58-M60 PolarHBondContact O-N 2.88Å; L58-Y61 PolarHBondContact O-N 2.98Å; L58-L62 HydrophobicContact CD1-CD1 4.3Å; L58-L62 HydrophobicContact CD1-CG 4.36Å; L58-L62 HydrophobicContact CG-CD1 4.33Å; L58-L62 WeakPolarHBondContact O-CG 3.1Å; L58-L62 PolarHBondContact O-N 3.32Å
59C97.9Very high96.2Very high59 Ų5938.7 Ų38.740%0.39920%0.203SC..Hα-helixtrans-58.7-44.3177.9-720000111.3I55 H56 L62 L63I55-C59 WeakPolarHBondContact O-CB 3.4Å; I55-C59 PolarHBondContact O-N 3.36Å; I55-C59 PolarHBondContact O-SG 3.48Å; H56-C59 PolarHBondContact O-N 3.24Å; C59-L62 PolarHBondContact O-N 3.24Å; C59-L63 WeakPolarHBondContact O-CB 3.35Å; C59-L63 VanDerWaalsContact O-CG 3.29Å; C59-L63 WeakPolarHBondContact O-CG 3.32Å; C59-L63 PolarHBondContact O-N 2.94Å
60M97.6Very high95.7Very high13 Ų1337.6 Ų37.66%0.06420%0.2CC..Hα-helixtrans-67.5-36.5178.7-68.9-47.6-66.800112.8Y26 H56 N57 L58 L64 L102 V134Y26-M60 HydrophobicContact CD2-SD 4.34Å; Y26-M60 HydrophobicContact CE2-CE 3.9Å; Y26-M60 HydrophobicContact CE2-CG 4.27Å; Y26-M60 HydrophobicContact CE2-SD 3.53Å; Y26-M60 VanDerWaalsContact CE2-SD 3.53Å; H56-M60 WeakPolarHBondContact NE2-CG 3.42Å; H56-M60 WeakPolarHBondContact O-CB 3.2Å; H56-M60 VanDerWaalsContact O-CG 3.26Å; H56-M60 WeakPolarHBondContact O-CG 3.29Å; H56-M60 PolarHBondContact O-N 2.97Å; N57-M60 PolarHBondContact O-N 2.98Å; L58-M60 VanDerWaalsContact C-N 3.3Å; L58-M60 PolarHBondContact O-N 2.88Å; M60-L64 HydrophobicContact CE-CD1 3.47Å; M60-L64 VanDerWaalsContact CE-CD1 3.47Å; M60-L64 HydrophobicContact CE-CD2 4.29Å; M60-L64 HydrophobicContact CE-CG 3.76Å; M60-L64 WeakPolarHBondContact O-CB 3.47Å; M60-L64 WeakPolarHBondContact O-CG 3.42Å; M60-L64 PolarHBondContact O-N 3.47Å; M60-L102 HydrophobicContact CE-CD2 3.81Å; M60-V134 HydrophobicContact CB-CG2 3.98Å
61Y96.5Very high94.3Very high65 Ų6541 Ų4126%0.25522%0.223SC..Hα-helixtrans-61.3-48.6172.7179.9-93.5000111N57 L58 H65 T66 T133 P137N57-Y61 VanDerWaalsContact O-CB 3.27Å; N57-Y61 WeakPolarHBondContact O-CB 3.39Å; N57-Y61 PolarHBondContact O-N 3.04Å; L58-Y61 PolarHBondContact O-N 2.98Å; Y61-H65 HydrophobicContact CD2-CB 4.2Å; Y61-H65 HydrophobicContact CE2-CB 4.2Å; Y61-H65 WeakPolarHBondContact O-CA 3.5Å; Y61-H65 VanDerWaalsContact O-CB 3.31Å; Y61-H65 WeakPolarHBondContact O-CB 3.41Å; Y61-H65 PolarHBondContact O-N 2.66Å; Y61-T66 HydrophobicContact CD1-CG2 3.97Å; Y61-T66 HydrophobicContact CE1-CG2 3.59Å; Y61-T66 PolarHBondContact O-N 2.83Å; Y61-T133 WeakPolarHBondContact CD2-O 3.48Å; Y61-P137 HydrophobicContact CE2-CG 4.16Å
62L95.5Very high93Very high82 Ų8247.5 Ų47.543%0.42925%0.248SC..Hα-helixtrans-60.2-54.4179-67.1174.8000111L58 C59 L64 T66 V67L58-L62 HydrophobicContact CD1-CD1 4.3Å; L58-L62 HydrophobicContact CD1-CG 4.36Å; L58-L62 HydrophobicContact CG-CD1 4.33Å; L58-L62 WeakPolarHBondContact O-CG 3.1Å; L58-L62 PolarHBondContact O-N 3.32Å; C59-L62 PolarHBondContact O-N 3.24Å; L62-L64 PolarHBondContact O-N 3.42Å; L62-T66 VanDerWaalsContact C-OG1 3.3Å; L62-T66 VanDerWaalsContact CA-OG1 3.28Å; L62-T66 WeakPolarHBondContact CA-OG1 3.45Å; L62-T66 HydrophobicContact CD2-CG2 4.13Å; L62-T66 WeakPolarHBondContact O-CB 3.49Å; L62-T66 PolarHBondContact O-N 3.33Å; L62-T66 PolarHBondContact O-OG1 3.2Å; L62-V67 PolarHBondContact O-N 2.99Å; L62-V67 VanDerWaalsContact O-N 3.09Å
63L94.5Very high91.9Very high101 Ų10151 Ų5153%0.52927%0.265SS..Hα-helixtrans-64-43.4-176-68.6173.3000113C59 H85C59-L63 WeakPolarHBondContact O-CB 3.35Å; C59-L63 VanDerWaalsContact O-CG 3.29Å; C59-L63 WeakPolarHBondContact O-CG 3.32Å; C59-L63 PolarHBondContact O-N 2.94Å; L63-H85 WeakPolarHBondContact O-CB 3.36Å
64L95.5Very high90.6Very high3 Ų355.6 Ų55.62%0.01629%0.293CS..Hα-helixtrans-88.2-33.2-173.2-64.5-175.1000113.5M60 L62 T84 W86 L102M60-L64 HydrophobicContact CE-CD1 3.47Å; M60-L64 VanDerWaalsContact CE-CD1 3.47Å; M60-L64 HydrophobicContact CE-CD2 4.29Å; M60-L64 HydrophobicContact CE-CG 3.76Å; M60-L64 WeakPolarHBondContact O-CB 3.47Å; M60-L64 WeakPolarHBondContact O-CG 3.42Å; M60-L64 PolarHBondContact O-N 3.47Å; L62-L64 PolarHBondContact O-N 3.42Å; L64-T84 WeakPolarHBondContact O-CB 3.35Å; L64-T84 PolarHBondContact O-OG1 2.87Å; L64-W86 HydrophobicContact CB-CB 4.2Å; L64-W86 HydrophobicContact CD1-CE3 4.16Å; L64-W86 VanDerWaalsContact O-CB 3.23Å; L64-W86 WeakPolarHBondContact O-CB 3.14Å; L64-W86 PolarHBondContact O-N 2.96Å; L64-L102 HydrophobicContact CD1-CD1 4.16Å; L64-L102 HydrophobicContact CD2-CD1 4.29Å
65H94.3Very high89.2Confident12 Ų1258.9 Ų58.96%0.05632%0.317CS..Hα-helixtrans-120-4.2-166.9-57.5-59.3000114.1Y61 T84 W86 P137 N151Y61-H65 HydrophobicContact CD2-CB 4.2Å; Y61-H65 HydrophobicContact CE2-CB 4.2Å; Y61-H65 WeakPolarHBondContact O-CA 3.5Å; Y61-H65 VanDerWaalsContact O-CB 3.31Å; Y61-H65 WeakPolarHBondContact O-CB 3.41Å; Y61-H65 PolarHBondContact O-N 2.66Å; H65-T84 WeakPolarHBondContact O-CG2 3.31Å; H65-W86 AromaticContact CE1-CD1 3.78Å; H65-W86 AromaticContact CE1-CD2 3.99Å; H65-W86 AromaticContact CE1-CG 3.51Å; H65-W86 AromaticContact ND1-CG 3.97Å; H65-P137 HydrophobicContact CB-CB 4.49Å; H65-N151 PolarHBondContact O-ND2 3.45Å
66T91.3Very high88.1Confident45 Ų4562.7 Ų62.728%0.27634%0.338SS..THydrogen-bonded Turntrans-118-37.1173.773.80000113.1Y61 L62 K68Y61-T66 HydrophobicContact CD1-CG2 3.97Å; Y61-T66 HydrophobicContact CE1-CG2 3.59Å; Y61-T66 PolarHBondContact O-N 2.83Å; L62-T66 VanDerWaalsContact C-OG1 3.3Å; L62-T66 VanDerWaalsContact CA-OG1 3.28Å; L62-T66 WeakPolarHBondContact CA-OG1 3.45Å; L62-T66 HydrophobicContact CD2-CG2 4.13Å; L62-T66 WeakPolarHBondContact O-CB 3.49Å; L62-T66 PolarHBondContact O-N 3.33Å; L62-T66 PolarHBondContact O-OG1 3.2Å; T66-K68 PolarHBondContact O-N 2.67Å
67V91.1Very high87.2Confident58 Ų5864.1 Ų64.135%0.35235%0.345SS..  trans-69.2126.5176.8179.70000109.9L62 T84 H85L62-V67 PolarHBondContact O-N 2.99Å; L62-V67 VanDerWaalsContact O-N 3.09Å; V67-T84 CarbonylContact O-C 3.57Å; V67-T84 VanDerWaalsContact O-CA 3.26Å; V67-T84 WeakPolarHBondContact O-CA 3.3Å; V67-H85 PolarHBondContact O-N 2.97Å
68K90.6Very high86.6Confident41 Ų4166.5 Ų66.518%0.17837%0.369CS..BIsolated β-bridgetrans-118.3163.9180-72.2-177172.6-173.70112.6T66 L82 L83 T84 N151 Y153T66-K68 PolarHBondContact O-N 2.67Å; K68-L82 WeakPolarHBondContact CE-O 3.26Å; K68-L83 VanDerWaalsContact CA-O 3.3Å; K68-L83 WeakPolarHBondContact CA-O 3.33Å; K68-T84 HydrophobicContact CG-CG2 4.26Å; K68-N151 VanDerWaalsContact CE-CB 3.48Å; K68-N151 VanDerWaalsContact CE-O 3.26Å; K68-N151 WeakPolarHBondContact CE-O 3.48Å; K68-N151 VanDerWaalsContact NZ-C 3.3Å; K68-N151 PolarHBondContact NZ-O 2.94Å; K68-Y153 PolarHBondContact NZ-O 3.17Å; K68-Y153 PolarHBondContact NZ-OXT 3Å
69G89.6Confident86Confident3 Ų370.3 Ų70.33%0.03138%0.381CS..SBendtrans69-162.717900000112.1N13 A80 L83 Q88N13-G69 PolarHBondContact ND2-O 2.74Å; G69-A80 WeakPolarHBondContact CA-O 3.31Å; G69-A80 PolarHBondContact N-O 2.92Å; G69-L83 PolarHBondContact N-O 3.41Å; G69-Q88 PolarHBondContact O-NE2 3.27Å
70T86.4Confident85.5Confident7 Ų768.3 Ų68.34%0.04337%0.369CS..  trans-122.4101.1-179.235.70000108.9N11 N13 F72 E73 Q77N11-T70 HydrophobicContact CB-CG2 4.31Å; N11-T70 VanDerWaalsContact CG-CG2 3.4Å; N11-T70 WeakPolarHBondContact OD1-CG2 3.12Å; N13-T70 WeakPolarHBondContact ND2-CG2 3.14Å; T70-F72 PolarHBondContact O-N 2.98Å; T70-E73 HydrophobicContact CG2-CG 4.33Å; T70-E73 PolarHBondContact O-N 3.16Å; T70-E73 WeakPolarHBondContact OG1-CB 3.4Å; T70-Q77 PolarHBondContact O-NE2 3.36Å; T70-Q77 WeakPolarHBondContact OG1-CG 3.37Å; T70-Q77 PolarHBondContact OG1-NE2 3.05Å; T70-Q77 PolarHBondContact OG1-OE1 3.06Å
71P70.4Confident85.1Confident85 Ų8575 Ų7555%0.55239%0.394SS*.THydrogen-bonded Turntrans-57.6-18.5-166-28.534.6000116.8
72F71.1Confident84.8Confident196 Ų19675.6 Ų75.686%0.8640%0.401SS*.THydrogen-bonded Turntrans-124.48.1-174.9-52.2-67000113.9T70T70-F72 PolarHBondContact O-N 2.98Å
73E74.8Confident84.7Confident75 Ų7574.2 Ų74.235%0.3539%0.394SS..SBendtrans-97.8161.1175-71.1-63.8152.900111.1T70 Q77T70-E73 HydrophobicContact CG2-CG 4.33Å; T70-E73 PolarHBondContact O-N 3.16Å; T70-E73 WeakPolarHBondContact OG1-CB 3.4Å; E73-Q77 PolarHBondContact O-NE2 3.09Å
74T72Confident84.7Confident96 Ų9669.7 Ų69.759%0.58937%0.37SS*.  trans-55.1156.7179.765.50000112.9D76 Q77T74-D76 PolarHBondContact O-N 3.35Å; T74-D76 VanDerWaalsContact O-N 3.08Å; T74-Q77 WeakPolarHBondContact O-CG 3.37Å
75P69Low84.6Confident121 Ų12170.8 Ų70.879%0.78638%0.375SS*.SBendtrans-59.7-21-175.7-26.235.3000115.6Q77P75-Q77 VanDerWaalsContact C-N 3.28Å; P75-Q77 PolarHBondContact O-N 2.87Å
76D77Confident84.7Confident142 Ų14270.5 Ų70.576%0.75937%0.374SS*.  trans-84.468.1178.5-168.412.4000111.9T74 G78T74-D76 PolarHBondContact O-N 3.35Å; T74-D76 VanDerWaalsContact O-N 3.08Å; D76-G78 VanDerWaalsContact C-N 3.26Å; D76-G78 PolarHBondContact O-N 3.41Å
77Q79.3Confident84.9Confident41 Ų4168.9 Ų68.919%0.19236%0.363CS..  trans-86.22.1-178.5-54.8-177.3-6.700112.8T70 E73 T74 P75 K79 A80 R81T70-Q77 PolarHBondContact O-NE2 3.36Å; T70-Q77 WeakPolarHBondContact OG1-CG 3.37Å; T70-Q77 PolarHBondContact OG1-NE2 3.05Å; T70-Q77 PolarHBondContact OG1-OE1 3.06Å; E73-Q77 PolarHBondContact O-NE2 3.09Å; T74-Q77 WeakPolarHBondContact O-CG 3.37Å; P75-Q77 VanDerWaalsContact C-N 3.28Å; P75-Q77 PolarHBondContact O-N 2.87Å; Q77-K79 PolarHBondContact O-N 3.47Å; Q77-A80 HydrophobicContact CB-CB 4.41Å; Q77-A80 VanDerWaalsContact O-CB 3.3Å; Q77-A80 WeakPolarHBondContact O-CB 3.29Å; Q77-A80 PolarHBondContact O-N 3.31Å; Q77-R81 HydrophobicContact CB-CB 4.18Å
78G86.3Confident85.1Confident49 Ų4966.4 Ų66.451%0.50535%0.348SS..G310 helixtrans46.4-123.6-175.800000113D76 A80D76-G78 VanDerWaalsContact C-N 3.26Å; D76-G78 PolarHBondContact O-N 3.41Å; G78-A80 VanDerWaalsContact C-N 3.32Å; G78-A80 PolarHBondContact O-N 2.87Å
79K85.6Confident85.3Confident182 Ų18264.5 Ų64.579%0.79134%0.339SS*.G310 helixtrans-67.9-27.4179-67.2-176.8180178.30113.4Q77 R81 L82Q77-K79 PolarHBondContact O-N 3.47Å; K79-R81 PolarHBondContact O-N 2.94Å; K79-L82 PolarHBondContact O-N 2.91Å; K79-L82 VanDerWaalsContact O-N 3.13Å
80A88Confident85.5Confident17 Ų1765 Ų6514%0.1434%0.342CS..G310 helixtrans-63.4-28.8-176.400000112.2G69 Q77 G78 L82 L83 Q88G69-A80 WeakPolarHBondContact CA-O 3.31Å; G69-A80 PolarHBondContact N-O 2.92Å; Q77-A80 HydrophobicContact CB-CB 4.41Å; Q77-A80 VanDerWaalsContact O-CB 3.3Å; Q77-A80 WeakPolarHBondContact O-CB 3.29Å; Q77-A80 PolarHBondContact O-N 3.31Å; G78-A80 VanDerWaalsContact C-N 3.32Å; G78-A80 PolarHBondContact O-N 2.87Å; A80-L82 PolarHBondContact O-N 3.41Å; A80-L82 VanDerWaalsContact O-N 3.13Å; A80-L83 PolarHBondContact O-N 2.87Å; A80-L83 VanDerWaalsContact O-N 3.09Å; A80-Q88 PolarHBondContact O-NE2 2.95Å
81R88.6Confident85.8Confident154 Ų15471.7 Ų71.758%0.58137%0.367SS*.G310 helixtrans-54.1-32.3174.7-167.7176.771.2-170.31.1113.3Q77 K79Q77-R81 HydrophobicContact CB-CB 4.18Å; K79-R81 PolarHBondContact O-N 2.94Å
82L90.1Very high86.9Confident77 Ų7768.6 Ų68.640%0.40335%0.35SS..G310 helixtrans-92.4-13.5-175.9-58-179.9000113.2K68 K79 A80 R146 Y153K68-L82 WeakPolarHBondContact CE-O 3.26Å; K79-L82 PolarHBondContact O-N 2.91Å; K79-L82 VanDerWaalsContact O-N 3.13Å; A80-L82 PolarHBondContact O-N 3.41Å; A80-L82 VanDerWaalsContact O-N 3.13Å; L82-R146 PolarHBondContact O-NH2 3.3Å; L82-Y153 WeakPolarHBondContact CD2-OXT 3.3Å
83L92.8Very high88.1Confident54 Ų5463.3 Ų63.328%0.28333%0.334SS..SBendtrans-95139.8-174.6-63.4178.9000110.6K68 G69 A80 E87 Q88K68-L83 VanDerWaalsContact CA-O 3.3Å; K68-L83 WeakPolarHBondContact CA-O 3.33Å; G69-L83 PolarHBondContact N-O 3.41Å; A80-L83 PolarHBondContact O-N 2.87Å; A80-L83 VanDerWaalsContact O-N 3.09Å; L83-E87 WeakPolarHBondContact CA-OE2 3.2Å; L83-E87 HydrophobicContact CB-CB 4.04Å; L83-E87 HydrophobicContact CD2-CB 4.13Å; L83-Q88 HydrophobicContact CB-CG 3.59Å; L83-Q88 HydrophobicContact CD1-CG 4.26Å; L83-Q88 PolarHBondContact O-NE2 3.47Å
84T94.4Very high89Confident5 Ų562.1 Ų62.13%0.03133%0.328CS..BIsolated β-bridgetrans-71.7163.3171.863.20000110.9L64 H65 V67 K68 W86 E87 Q88L64-T84 WeakPolarHBondContact O-CB 3.35Å; L64-T84 PolarHBondContact O-OG1 2.87Å; H65-T84 WeakPolarHBondContact O-CG2 3.31Å; V67-T84 CarbonylContact O-C 3.57Å; V67-T84 VanDerWaalsContact O-CA 3.26Å; V67-T84 WeakPolarHBondContact O-CA 3.3Å; K68-T84 HydrophobicContact CG-CG2 4.26Å; T84-W86 PolarHBondContact O-N 3.27Å; T84-E87 PolarHBondContact N-OE2 2.65Å; T84-E87 PolarHBondContact O-N 3.2Å; T84-E87 VanDerWaalsContact OG1-CG 3.29Å; T84-E87 WeakPolarHBondContact OG1-CG 3.31Å; T84-E87 PolarHBondContact OG1-N 3.46Å; T84-E87 PolarHBondContact OG1-OE2 3.32Å; T84-E87 VanDerWaalsContact OG1-OE2 3.11Å; T84-Q88 WeakPolarHBondContact O-CG 3.38Å; T84-Q88 PolarHBondContact O-N 3.35Å
85H94.3Very high90.1Very high27 Ų2763.9 Ų63.913%0.12533%0.328CS..Hα-helixtrans-56-40.5177.2-166.680.8000112.3N13 L63 V67 E87 Q88 M89N13-H85 VanDerWaalsContact CG-CE1 3.48Å; N13-H85 PolarHBondContact OD1-CE1 2.94Å; N13-H85 PolarHBondContact OD1-ND1 3.22Å; N13-H85 VanDerWaalsContact OD1-ND1 3.07Å; L63-H85 WeakPolarHBondContact O-CB 3.36Å; V67-H85 PolarHBondContact O-N 2.97Å; H85-E87 VanDerWaalsContact C-N 3.29Å; H85-E87 PolarHBondContact O-N 2.9Å; H85-Q88 PolarHBondContact O-N 3.5Å; H85-M89 PolarHBondContact O-N 2.93Å; H85-M89 VanDerWaalsContact O-N 3.08Å
86W96.1Very high91.4Very high6 Ų659.6 Ų59.62%0.02330%0.3CS..Hα-helixtrans-60.5-37174.5179.1-104.8000113.1L64 H65 T84 M89 R99 L102 K138L64-W86 HydrophobicContact CB-CB 4.2Å; L64-W86 HydrophobicContact CD1-CE3 4.16Å; L64-W86 VanDerWaalsContact O-CB 3.23Å; L64-W86 WeakPolarHBondContact O-CB 3.14Å; L64-W86 PolarHBondContact O-N 2.96Å; H65-W86 AromaticContact CE1-CD1 3.78Å; H65-W86 AromaticContact CE1-CD2 3.99Å; H65-W86 AromaticContact CE1-CG 3.51Å; H65-W86 AromaticContact ND1-CG 3.97Å; T84-W86 PolarHBondContact O-N 3.27Å; W86-M89 HydrophobicContact CD2-CE 4.44Å; W86-M89 HydrophobicContact CE3-CE 3.52Å; W86-M89 HydrophobicContact CH2-CE 4.28Å; W86-M89 HydrophobicContact CZ3-CE 3.44Å; W86-M89 VanDerWaalsContact CZ3-CE 3.44Å; W86-R99 VanDerWaalsContact CD2-NH1 3.34Å; W86-R99 HydrophobicContact CH2-CB 3.71Å; W86-R99 HydrophobicContact CH2-CG 3.74Å; W86-R99 HydrophobicContact CZ2-CB 4.35Å; W86-R99 HydrophobicContact CZ2-CG 4.15Å; W86-R99 VanDerWaalsContact CZ2-NH1 3.35Å; W86-R99 HydrophobicContact CZ3-CB 4.28Å; W86-R99 HydrophobicContact CZ3-CG 4.07Å; W86-R99 VanDerWaalsContact NE1-NH1 3.17Å; W86-R99 PolarHBondContact O-NH1 3.04Å; W86-R99 PolarHBondContact O-NH2 3.44Å; W86-L102 HydrophobicContact CZ3-CB 4.13Å; W86-L102 HydrophobicContact CZ3-CD1 4.32Å; W86-K138 HydrophobicContact CD2-CG 4.06Å; W86-K138 HydrophobicContact CE3-CG 4.24Å; W86-K138 HydrophobicContact CH2-CB 4.02Å; W86-K138 HydrophobicContact CH2-CD 3.91Å; W86-K138 HydrophobicContact CH2-CG 3.8Å; W86-K138 HydrophobicContact CZ2-CB 3.5Å; W86-K138 VanDerWaalsContact CZ2-CB 3.5Å; W86-K138 HydrophobicContact CZ2-CD 4.23Å; W86-K138 HydrophobicContact CZ2-CG 3.61Å; W86-K138 HydrophobicContact CZ3-CD 4.09Å; W86-K138 HydrophobicContact CZ3-CG 4.11Å
87E95.1Very high92.3Very high10 Ų1055.9 Ų55.95%0.04729%0.289CS..Hα-helixtrans-74.3-36.6-178.4-70.4168.6148.100111.7L83 T84 H85 H143 G144 R146L83-E87 WeakPolarHBondContact CA-OE2 3.2Å; L83-E87 HydrophobicContact CB-CB 4.04Å; L83-E87 HydrophobicContact CD2-CB 4.13Å; T84-E87 PolarHBondContact N-OE2 2.65Å; T84-E87 PolarHBondContact O-N 3.2Å; T84-E87 VanDerWaalsContact OG1-CG 3.29Å; T84-E87 WeakPolarHBondContact OG1-CG 3.31Å; T84-E87 PolarHBondContact OG1-N 3.46Å; T84-E87 PolarHBondContact OG1-OE2 3.32Å; T84-E87 VanDerWaalsContact OG1-OE2 3.11Å; H85-E87 VanDerWaalsContact C-N 3.29Å; H85-E87 PolarHBondContact O-N 2.9Å; E87-H143 PolarHBondContact O-CE1 2.89Å; E87-G144 WeakPolarHBondContact OE1-CA 3.27Å; E87-G144 PolarHBondContact OE1-N 3.4Å; E87-R146 IonicContact OE1-CZ 3.89Å; E87-R146 IonicContact OE1-NH1 3.54Å; E87-R146 PolarHBondContact OE1-NH1 2.83Å; E87-R146 IonicContact OE1-NH2 2.68Å; E87-R146 PolarHBondContact OE1-NH2 3.16Å; E87-R146 IonicContact OE2-CZ 3.29Å; E87-R146 IonicContact OE2-NH1 3.54Å; E87-R146 PolarHBondContact OE2-NH1 2.68Å; E87-R146 IonicContact OE2-NH2 3.43Å; E87-R146 PolarHBondContact OE2-NH2 3.23Å
88Q94.7Very high93.2Very high7 Ų753.9 Ų53.93%0.03328%0.28CS..Hα-helixtrans-72.2-30.9178.4-63.8177.848.900113N11 N13 G69 A80 L83 T84 H85 Y91N11-Q88 PolarHBondContact ND2-OE1 3.23Å; N11-Q88 PolarHBondContact OD1-OE1 3.02Å; N13-Q88 HydrophobicContact CB-CB 4.01Å; N13-Q88 PolarHBondContact ND2-OE1 3.29Å; G69-Q88 PolarHBondContact O-NE2 3.27Å; A80-Q88 PolarHBondContact O-NE2 2.95Å; L83-Q88 HydrophobicContact CB-CG 3.59Å; L83-Q88 HydrophobicContact CD1-CG 4.26Å; L83-Q88 PolarHBondContact O-NE2 3.47Å; T84-Q88 WeakPolarHBondContact O-CG 3.38Å; T84-Q88 PolarHBondContact O-N 3.35Å; H85-Q88 PolarHBondContact O-N 3.5Å; Q88-Y91 PolarHBondContact O-N 3.08Å
89M95Very high93.7Very high0 Ų051.8 Ų51.80%026%0.256CS..G310 helixtrans-55.6138-174.4-170.1165.670.700113.1N13 M17 H85 W86 Y91 G92 R99 L102N13-M89 WeakPolarHBondContact O-CA 3.34Å; M17-M89 HydrophobicContact CB-CG 4.37Å; M17-M89 HydrophobicContact CB-SD 3.55Å; M17-M89 VanDerWaalsContact CB-SD 3.55Å; M17-M89 HydrophobicContact CG-SD 3.75Å; H85-M89 PolarHBondContact O-N 2.93Å; H85-M89 VanDerWaalsContact O-N 3.08Å; W86-M89 HydrophobicContact CD2-CE 4.44Å; W86-M89 HydrophobicContact CE3-CE 3.52Å; W86-M89 HydrophobicContact CH2-CE 4.28Å; W86-M89 HydrophobicContact CZ3-CE 3.44Å; W86-M89 VanDerWaalsContact CZ3-CE 3.44Å; M89-Y91 PolarHBondContact O-N 3.43Å; M89-Y91 VanDerWaalsContact O-N 3.1Å; M89-G92 PolarHBondContact O-N 2.86Å; M89-R99 HydrophobicContact CE-CB 4.19Å; M89-R99 HydrophobicContact CE-CG 3.3Å; M89-R99 PolarHBondContact O-NH2 3.42Å; M89-L102 HydrophobicContact CE-CD1 3.75Å; M89-L102 HydrophobicContact SD-CD1 3.83Å
90D94.9Very high94.2Very high15 Ų1548.3 Ų48.38%0.0824%0.241CC..G310 helixtrans48.236.5-177.6-58.2-47.5000113.4T14 N18 G92 V93 T96T14-D90 VanDerWaalsContact O-CA 3.27Å; T14-D90 WeakPolarHBondContact O-CA 3.43Å; T14-D90 PolarHBondContact O-N 3.4Å; N18-D90 PolarHBondContact ND2-OD1 3.41Å; N18-D90 PolarHBondContact OD1-OD1 2.81Å; D90-G92 PolarHBondContact O-N 3.32Å; D90-G92 VanDerWaalsContact O-N 3.1Å; D90-V93 VanDerWaalsContact O-CB 3.3Å; D90-V93 WeakPolarHBondContact O-CB 3.34Å; D90-V93 WeakPolarHBondContact O-CG2 2.98Å; D90-V93 PolarHBondContact O-N 3.07Å; D90-T96 HydrophobicContact CB-CG2 3.74Å; D90-T96 VanDerWaalsContact OD2-CB 3.27Å; D90-T96 WeakPolarHBondContact OD2-CB 3.3Å; D90-T96 PolarHBondContact OD2-OG1 2.79Å
91Y93.3Very high94.7Very high146 Ų14649 Ų4957%0.57324%0.241SC*.G310 helixtrans5727-178.8-56.6-87.7000113.7E9 T14 R15 Q88 M89 V93E9-Y91 PolarHBondContact OE1-OH 3.26Å; E9-Y91 PolarHBondContact OE2-OH 3.11Å; T14-Y91 HydrophobicContact CG2-CD1 3.86Å; T14-Y91 HydrophobicContact CG2-CE1 3.83Å; T14-Y91 HydrophobicContact CG2-CG 4.33Å; R15-Y91 HydrophobicContact CG-CE2 4.24Å; Q88-Y91 PolarHBondContact O-N 3.08Å; M89-Y91 PolarHBondContact O-N 3.43Å; M89-Y91 VanDerWaalsContact O-N 3.1Å; Y91-V93 VanDerWaalsContact C-N 3.27Å; Y91-V93 PolarHBondContact O-N 2.68Å
92G93.1Very high95.1Very high20 Ų2041.7 Ų41.721%0.20621%0.214CC..G310 helixtrans79.60-176.600000114.8M89 D90 Q94M89-G92 PolarHBondContact O-N 2.86Å; D90-G92 PolarHBondContact O-N 3.32Å; D90-G92 VanDerWaalsContact O-N 3.1Å; G92-Q94 PolarHBondContact O-N 3.05Å; G92-Q94 PolarHBondContact O-NE2 3.13Å
93V95.2Very high95.5Very high86 Ų8640 Ų4052%0.52121%0.206SC..  trans-64127.7176.2178.60000109.5D90 Y91 T96 R99D90-V93 VanDerWaalsContact O-CB 3.3Å; D90-V93 WeakPolarHBondContact O-CB 3.34Å; D90-V93 WeakPolarHBondContact O-CG2 2.98Å; D90-V93 PolarHBondContact O-N 3.07Å; Y91-V93 VanDerWaalsContact C-N 3.27Å; Y91-V93 PolarHBondContact O-N 2.68Å; V93-T96 HydrophobicContact CB-CG2 4.03Å; V93-T96 HydrophobicContact CG1-CG2 3.79Å; V93-R99 WeakPolarHBondContact O-CD 3.45Å; V93-R99 PolarHBondContact O-NE 3.03Å
94Q94.4Very high95.8Very high49 Ų4941.8 Ų41.823%0.22922%0.215CC..THydrogen-bonded Turntrans-82.7158.2-177.2-57.9-57.8-42.800112.1G92 T96 P140 H143G92-Q94 PolarHBondContact O-N 3.05Å; G92-Q94 PolarHBondContact O-NE2 3.13Å; Q94-T96 PolarHBondContact O-N 3.24Å; Q94-T96 VanDerWaalsContact O-N 3.08Å; Q94-P140 HydrophobicContact CB-CG 4.44Å; Q94-P140 HydrophobicContact CG-CB 4.12Å; Q94-P140 HydrophobicContact CG-CG 4.26Å; Q94-H143 PolarHBondContact NE2-ND1 2.52Å
95F94.2Very high96Very high134 Ų13442.3 Ų42.359%0.58822%0.218SC*.THydrogen-bonded Turntrans57.522.7172.7-53.3-67.5000116.5K100 P140F95-K100 WeakPolarHBondContact O-CD 3.26Å; F95-K100 WeakPolarHBondContact O-CE 3.39Å; F95-K100 PolarHBondContact O-NZ 3.09Å; F95-P140 HydrophobicContact CE1-CG 4.34Å; F95-P140 HydrophobicContact CE2-CG 3.83Å; F95-P140 HydrophobicContact CZ-CG 3.56Å
96T97.1Very high96.2Very high30 Ų3041 Ų4118%0.18421%0.213CC..  trans-63.5166.3169.161.50000111.6D90 V93 Q94 S98 R99 K100D90-T96 HydrophobicContact CB-CG2 3.74Å; D90-T96 VanDerWaalsContact OD2-CB 3.27Å; D90-T96 WeakPolarHBondContact OD2-CB 3.3Å; D90-T96 PolarHBondContact OD2-OG1 2.79Å; V93-T96 HydrophobicContact CB-CG2 4.03Å; V93-T96 HydrophobicContact CG1-CG2 3.79Å; Q94-T96 PolarHBondContact O-N 3.24Å; Q94-T96 VanDerWaalsContact O-N 3.08Å; T96-S98 VanDerWaalsContact C-N 3.31Å; T96-S98 PolarHBondContact O-N 2.85Å; T96-R99 PolarHBondContact O-N 3.11Å; T96-R99 WeakPolarHBondContact OG1-CB 3.48Å; T96-R99 WeakPolarHBondContact OG1-CG 3.46Å; T96-R99 PolarHBondContact OG1-N 2.82Å; T96-K100 WeakPolarHBondContact O-CB 3.18Å; T96-K100 WeakPolarHBondContact O-CG 3.41Å; T96-K100 PolarHBondContact O-N 2.85Å
97A97.1Very high96.3Very high64 Ų6443.5 Ų43.553%0.52923%0.226SC..Hα-helixtrans-57.6-43.8179.500000112W23 K100 F101W23-A97 HydrophobicContact CH2-CB 4.03Å; W23-A97 HydrophobicContact CZ2-CB 4.35Å; A97-K100 PolarHBondContact O-N 2.9Å; A97-F101 WeakPolarHBondContact O-CB 3.26Å; A97-F101 PolarHBondContact O-N 3.01Å
98S96.4Very high96.5Very high0 Ų046.5 Ų46.50%024%0.244CC..Hα-helixtrans-67.4-42.9179.1-62.90000112.7M17 N18 T96 K100 F101 L102M17-S98 PolarHBondContact O-OG 3.48Å; N18-S98 PolarHBondContact OD1-OG 2.83Å; T96-S98 VanDerWaalsContact C-N 3.31Å; T96-S98 PolarHBondContact O-N 2.85Å; S98-K100 PolarHBondContact O-N 2.84Å; S98-F101 PolarHBondContact O-N 3.13Å; S98-L102 WeakPolarHBondContact O-CG 3.49Å; S98-L102 PolarHBondContact O-N 2.78Å
99R96.9Very high96.6Very high4 Ų446.7 Ų46.72%0.01525%0.246CC..Hα-helixtrans-62.5-42.9173.7-73.8-178.6-178.5-81.20.5112W86 M89 V93 T96 T103W86-R99 VanDerWaalsContact CD2-NH1 3.34Å; W86-R99 HydrophobicContact CH2-CB 3.71Å; W86-R99 HydrophobicContact CH2-CG 3.74Å; W86-R99 HydrophobicContact CZ2-CB 4.35Å; W86-R99 HydrophobicContact CZ2-CG 4.15Å; W86-R99 VanDerWaalsContact CZ2-NH1 3.35Å; W86-R99 HydrophobicContact CZ3-CB 4.28Å; W86-R99 HydrophobicContact CZ3-CG 4.07Å; W86-R99 VanDerWaalsContact NE1-NH1 3.17Å; W86-R99 PolarHBondContact O-NH1 3.04Å; W86-R99 PolarHBondContact O-NH2 3.44Å; M89-R99 HydrophobicContact CE-CB 4.19Å; M89-R99 HydrophobicContact CE-CG 3.3Å; M89-R99 PolarHBondContact O-NH2 3.42Å; V93-R99 WeakPolarHBondContact O-CD 3.45Å; V93-R99 PolarHBondContact O-NE 3.03Å; T96-R99 PolarHBondContact O-N 3.11Å; T96-R99 WeakPolarHBondContact OG1-CB 3.48Å; T96-R99 WeakPolarHBondContact OG1-CG 3.46Å; T96-R99 PolarHBondContact OG1-N 2.82Å; R99-T103 WeakPolarHBondContact O-CB 3.25Å; R99-T103 PolarHBondContact O-N 3.43Å; R99-T103 PolarHBondContact O-OG1 3.42Å
100K97.7Very high96.8Very high109 Ų10948.1 Ų48.147%0.47425%0.251SS..Hα-helixtrans-62.4-47.1176-77.3173.5175.7161.40111F95 T96 A97 S98 L102 T103 I104F95-K100 WeakPolarHBondContact O-CD 3.26Å; F95-K100 WeakPolarHBondContact O-CE 3.39Å; F95-K100 PolarHBondContact O-NZ 3.09Å; T96-K100 WeakPolarHBondContact O-CB 3.18Å; T96-K100 WeakPolarHBondContact O-CG 3.41Å; T96-K100 PolarHBondContact O-N 2.85Å; A97-K100 PolarHBondContact O-N 2.9Å; S98-K100 PolarHBondContact O-N 2.84Å; K100-L102 PolarHBondContact O-N 3.27Å; K100-T103 PolarHBondContact O-N 3.25Å; K100-T103 VanDerWaalsContact O-N 3.12Å; K100-I104 HydrophobicContact CB-CD1 4.25Å; K100-I104 WeakPolarHBondContact O-CB 3.47Å; K100-I104 WeakPolarHBondContact O-CG1 3.43Å; K100-I104 PolarHBondContact O-N 3.37Å
101F97.7Very high97Very high33 Ų3352 Ų5215%0.14527%0.271CS..Hα-helixtrans-54-55.5176.3175.1-103.3000111.5W23 Y26 I27 A97 S98 T103 I104 T105W23-F101 HydrophobicContact CB-CE1 4.03Å; W23-F101 HydrophobicContact CB-CE2 4.29Å; W23-F101 HydrophobicContact CB-CZ 3.79Å; W23-F101 HydrophobicContact CD2-CB 4.35Å; W23-F101 AromaticContact CD2-CD1 3.91Å; W23-F101 HydrophobicContact CD2-CD1 3.91Å; W23-F101 AromaticContact CD2-CD2 3.95Å; W23-F101 HydrophobicContact CD2-CD2 3.95Å; W23-F101 HydrophobicContact CD2-CE1 4.12Å; W23-F101 HydrophobicContact CD2-CE2 4.16Å; W23-F101 AromaticContact CD2-CG 3.8Å; W23-F101 HydrophobicContact CD2-CG 3.8Å; W23-F101 HydrophobicContact CD2-CZ 4.23Å; W23-F101 AromaticContact CE2-CG 3.98Å; W23-F101 HydrophobicContact CE3-CB 4.29Å; W23-F101 HydrophobicContact CE3-CD1 4.38Å; W23-F101 AromaticContact CE3-CD2 3.57Å; W23-F101 HydrophobicContact CE3-CD2 3.57Å; W23-F101 AromaticContact CE3-CE2 3.89Å; W23-F101 HydrophobicContact CE3-CE2 3.89Å; W23-F101 AromaticContact CE3-CG 3.83Å; W23-F101 HydrophobicContact CE3-CG 3.83Å; W23-F101 HydrophobicContact CE3-CZ 4.4Å; W23-F101 HydrophobicContact CG-CD1 4.02Å; W23-F101 AromaticContact CG-CE1 3.81Å; W23-F101 HydrophobicContact CG-CE1 3.81Å; W23-F101 HydrophobicContact CG-CE2 4.35Å; W23-F101 HydrophobicContact CG-CG 4.36Å; W23-F101 AromaticContact CG-CZ 3.97Å; W23-F101 HydrophobicContact CG-CZ 3.97Å; W23-F101 HydrophobicContact CH2-CB 3.82Å; W23-F101 HydrophobicContact CH2-CG 4.26Å; W23-F101 HydrophobicContact CZ2-CB 3.9Å; W23-F101 HydrophobicContact CZ2-CG 4.26Å; W23-F101 HydrophobicContact CZ3-CB 4.01Å; W23-F101 AromaticContact CZ3-CD2 3.87Å; W23-F101 HydrophobicContact CZ3-CD2 3.87Å; W23-F101 HydrophobicContact CZ3-CG 4.04Å; Y26-F101 AromaticContact CD1-CE1 3.43Å; Y26-F101 HydrophobicContact CD1-CE1 3.43Å; Y26-F101 VanDerWaalsContact CD1-CE1 3.43Å; Y26-F101 AromaticContact CD1-CZ 3.54Å; Y26-F101 HydrophobicContact CD1-CZ 3.54Å; Y26-F101 AromaticContact CE1-CE1 3.73Å; Y26-F101 HydrophobicContact CE1-CE1 3.73Å; Y26-F101 AromaticContact CE1-CZ 3.95Å; Y26-F101 HydrophobicContact CE1-CZ 3.95Å; Y26-F101 HydrophobicContact CG-CE1 4.29Å; I27-F101 HydrophobicContact CD1-CE2 4.17Å; I27-F101 HydrophobicContact CD1-CZ 3.95Å; I27-F101 HydrophobicContact CG1-CE2 4.33Å; I27-F101 HydrophobicContact CG1-CZ 3.99Å; A97-F101 WeakPolarHBondContact O-CB 3.26Å; A97-F101 PolarHBondContact O-N 3.01Å; S98-F101 PolarHBondContact O-N 3.13Å; F101-T103 PolarHBondContact O-N 3.35Å; F101-T103 VanDerWaalsContact O-N 3.16Å; F101-I104 PolarHBondContact O-N 2.99Å; F101-T105 PolarHBondContact O-N 3.08Å; F101-T105 PolarHBondContact O-OG1 3.37Å; F101-T105 VanDerWaalsContact O-OG1 3.07Å
102L97.4Very high97.2Very high0 Ų048.4 Ų48.40%026%0.261CS..Hα-helixtrans-66-18179.5-69176.2000114.3M17 Y26 M60 L64 W86 M89 S98 K100 P106 K138M17-L102 HydrophobicContact CE-CD1 4.13Å; M17-L102 HydrophobicContact CG-CD1 3.69Å; M17-L102 HydrophobicContact CG-CG 4.24Å; M17-L102 HydrophobicContact SD-CD1 4.02Å; M17-L102 HydrophobicContact SD-CD2 4.09Å; M17-L102 HydrophobicContact SD-CG 4.28Å; Y26-L102 HydrophobicContact CE1-CD2 4.43Å; M60-L102 HydrophobicContact CE-CD2 3.81Å; L64-L102 HydrophobicContact CD1-CD1 4.16Å; L64-L102 HydrophobicContact CD2-CD1 4.29Å; W86-L102 HydrophobicContact CZ3-CB 4.13Å; W86-L102 HydrophobicContact CZ3-CD1 4.32Å; M89-L102 HydrophobicContact CE-CD1 3.75Å; M89-L102 HydrophobicContact SD-CD1 3.83Å; S98-L102 WeakPolarHBondContact O-CG 3.49Å; S98-L102 PolarHBondContact O-N 2.78Å; K100-L102 PolarHBondContact O-N 3.27Å; L102-P106 WeakPolarHBondContact O-CD 3.1Å; L102-P106 WeakPolarHBondContact O-CG 3.48Å; L102-K138 PolarHBondContact O-NZ 2.94Å
103T98.1Very high97.5Very high40 Ų4047.4 Ų47.425%0.24525%0.251CS..Hα-helixtrans-86.1-42.3174-56.90000111.2R99 K100 F101 P106 I107 L135R99-T103 WeakPolarHBondContact O-CB 3.25Å; R99-T103 PolarHBondContact O-N 3.43Å; R99-T103 PolarHBondContact O-OG1 3.42Å; K100-T103 PolarHBondContact O-N 3.25Å; K100-T103 VanDerWaalsContact O-N 3.12Å; F101-T103 PolarHBondContact O-N 3.35Å; F101-T103 VanDerWaalsContact O-N 3.16Å; T103-P106 WeakPolarHBondContact O-CD 3.36Å; T103-P106 WeakPolarHBondContact O-CG 3.47Å; T103-I107 HydrophobicContact CG2-CD1 4.36Å; T103-I107 WeakPolarHBondContact O-CD1 3.29Å; T103-I107 WeakPolarHBondContact O-CG1 3.43Å; T103-L135 HydrophobicContact CG2-CD2 4Å
104I98.4Very high97.6Very high92 Ų9243.5 Ų43.547%0.47223%0.228SC..Hα-helixtrans-74-39.2-176.1-68.8165.5000111.1K100 F101 I107 V108K100-I104 HydrophobicContact CB-CD1 4.25Å; K100-I104 WeakPolarHBondContact O-CB 3.47Å; K100-I104 WeakPolarHBondContact O-CG1 3.43Å; K100-I104 PolarHBondContact O-N 3.37Å; F101-I104 PolarHBondContact O-N 2.99Å; I104-I107 WeakPolarHBondContact O-CA 3.32Å; I104-I107 WeakPolarHBondContact O-CB 3.34Å; I104-I107 PolarHBondContact O-N 3.05Å; I104-V108 HydrophobicContact CG2-CG2 3.85Å; I104-V108 PolarHBondContact O-N 2.94Å
105T98.4Very high97.8Very high16 Ų1647 Ų4710%0.09824%0.243CC..Hα-helixtrans-56-51.1-177.3-57.70000114.3Y26 I27 I30 F101 I107 V108 L109Y26-T105 HydrophobicContact CE1-CG2 3.51Å; I27-T105 HydrophobicContact CD1-CG2 4.09Å; I30-T105 HydrophobicContact CD1-CG2 3.62Å; F101-T105 PolarHBondContact O-N 3.08Å; F101-T105 PolarHBondContact O-OG1 3.37Å; F101-T105 VanDerWaalsContact O-OG1 3.07Å; T105-I107 PolarHBondContact O-N 3.27Å; T105-V108 PolarHBondContact O-N 2.75Å; T105-L109 WeakPolarHBondContact O-CB 3.23Å; T105-L109 PolarHBondContact O-N 2.96Å
106P98.3Very high98Very high1 Ų145.9 Ų45.91%0.00624%0.235CC..Hα-helixtrans-62.4-29.7175.921.8-31.7000113N57 L102 T103 Y110 L131 V134 L135N57-P106 WeakPolarHBondContact OD1-CB 3.19Å; L102-P106 WeakPolarHBondContact O-CD 3.1Å; L102-P106 WeakPolarHBondContact O-CG 3.48Å; T103-P106 WeakPolarHBondContact O-CD 3.36Å; T103-P106 WeakPolarHBondContact O-CG 3.47Å; P106-Y110 VanDerWaalsContact O-CB 3.25Å; P106-Y110 WeakPolarHBondContact O-CB 3.31Å; P106-Y110 PolarHBondContact O-N 2.9Å; P106-L131 HydrophobicContact CB-CD1 3.84Å; P106-V134 HydrophobicContact CB-CG1 4.08Å; P106-V134 HydrophobicContact CG-CG1 4.29Å; P106-L135 HydrophobicContact CG-CD2 4.31Å
107I98.8Very high98.1Very high58 Ų5844.8 Ų44.830%0.29723%0.228SC..Hα-helixtrans-67.7-46.4175.5-63.8168.2000110.4T103 I104 T105 L109 Y110 I111 L131 L135T103-I107 HydrophobicContact CG2-CD1 4.36Å; T103-I107 WeakPolarHBondContact O-CD1 3.29Å; T103-I107 WeakPolarHBondContact O-CG1 3.43Å; I104-I107 WeakPolarHBondContact O-CA 3.32Å; I104-I107 WeakPolarHBondContact O-CB 3.34Å; I104-I107 PolarHBondContact O-N 3.05Å; T105-I107 PolarHBondContact O-N 3.27Å; I107-L109 VanDerWaalsContact C-N 3.35Å; I107-Y110 WeakPolarHBondContact O-CB 3.4Å; I107-Y110 PolarHBondContact O-N 3.23Å; I107-I111 HydrophobicContact CG2-CD1 3.97Å; I107-I111 VanDerWaalsContact O-CG1 3.32Å; I107-I111 WeakPolarHBondContact O-CG1 3.38Å; I107-I111 PolarHBondContact O-N 3.29Å; I107-L131 HydrophobicContact CG1-CD1 4.32Å; I107-L135 HydrophobicContact CD1-CD1 4.08Å; I107-L135 HydrophobicContact CD1-CD2 4.3Å; I107-L135 HydrophobicContact CG1-CD1 3.84Å; I107-L135 HydrophobicContact CG1-CD2 4.2Å
108V98.7Very high98.1Very high72 Ų7250.5 Ų50.544%0.43624%0.242SC..Hα-helixtrans-62-44.9176.5173.10000110.5I104 T105 Y110 I111 L112I104-V108 HydrophobicContact CG2-CG2 3.85Å; I104-V108 PolarHBondContact O-N 2.94Å; T105-V108 PolarHBondContact O-N 2.75Å; V108-Y110 VanDerWaalsContact C-N 3.31Å; V108-Y110 PolarHBondContact O-N 3.04Å; V108-I111 PolarHBondContact O-N 3.08Å; V108-L112 HydrophobicContact CG1-CD1 4.17Å; V108-L112 HydrophobicContact CG1-CG 4.46Å; V108-L112 WeakPolarHBondContact O-CG 3.36Å; V108-L112 PolarHBondContact O-N 3.28Å
109L98.6Very high98.1Very high12 Ų1257.5 Ų57.56%0.06327%0.269CS..Hα-helixtrans-61.3-40.1177.3-175.359000112I30 W49 T52 N53 H56 T105 I107 L112 T113I30-L109 HydrophobicContact CG2-CD1 4.37Å; I30-L109 HydrophobicContact CG2-CD2 4.29Å; W49-L109 HydrophobicContact CE3-CD1 4.36Å; W49-L109 HydrophobicContact CZ3-CD1 3.99Å; T52-L109 HydrophobicContact CG2-CD1 4.29Å; N53-L109 HydrophobicContact CB-CD2 4.34Å; N53-L109 HydrophobicContact CB-CG 4.21Å; H56-L109 HydrophobicContact CB-CD2 3.73Å; T105-L109 WeakPolarHBondContact O-CB 3.23Å; T105-L109 PolarHBondContact O-N 2.96Å; I107-L109 VanDerWaalsContact C-N 3.35Å; L109-L112 PolarHBondContact O-N 3.02Å; L109-T113 VanDerWaalsContact O-CB 3.32Å; L109-T113 WeakPolarHBondContact O-CB 3.42Å; L109-T113 PolarHBondContact O-N 3.43Å; L109-T113 PolarHBondContact O-OG1 3.07Å
110Y98.7Very high98.1Very high29 Ų2960.7 Ų60.711%0.11429%0.286CS..Hα-helixtrans-62.9-43.6173.9169-98.2000112.8P106 I107 V108 T113 S114 F124 N127 T128 L131P106-Y110 VanDerWaalsContact O-CB 3.25Å; P106-Y110 WeakPolarHBondContact O-CB 3.31Å; P106-Y110 PolarHBondContact O-N 2.9Å; I107-Y110 WeakPolarHBondContact O-CB 3.4Å; I107-Y110 PolarHBondContact O-N 3.23Å; V108-Y110 VanDerWaalsContact C-N 3.31Å; V108-Y110 PolarHBondContact O-N 3.04Å; Y110-T113 PolarHBondContact O-N 2.77Å; Y110-S114 WeakPolarHBondContact O-CB 3.2Å; Y110-S114 PolarHBondContact O-N 3.07Å; Y110-S114 PolarHBondContact O-OG 3.29Å; Y110-F124 WeakPolarHBondContact OH-CD2 3.37Å; Y110-F124 WeakPolarHBondContact OH-CE2 3.48Å; Y110-F124 VanDerWaalsContact OH-CZ 3.31Å; Y110-F124 WeakPolarHBondContact OH-CZ 3.32Å; Y110-N127 HydrophobicContact CD2-CB 3.77Å; Y110-N127 HydrophobicContact CE2-CB 3.79Å; Y110-T128 PolarHBondContact OH-OG1 3.37Å; Y110-L131 HydrophobicContact CD1-CD2 3.79Å; Y110-L131 HydrophobicContact CD2-CB 4.32Å; Y110-L131 HydrophobicContact CD2-CD2 4.15Å; Y110-L131 HydrophobicContact CE1-CD2 4.37Å; Y110-L131 HydrophobicContact CG-CD2 3.67Å
111I98.7Very high98.2Very high96 Ų9665.6 Ų65.649%0.49230%0.302SS..Hα-helixtrans-63.3-47.1177.3-69.2166.1000110.2I107 V108 T113 S114 F115I107-I111 HydrophobicContact CG2-CD1 3.97Å; I107-I111 VanDerWaalsContact O-CG1 3.32Å; I107-I111 WeakPolarHBondContact O-CG1 3.38Å; I107-I111 PolarHBondContact O-N 3.29Å; V108-I111 PolarHBondContact O-N 3.08Å; I111-T113 VanDerWaalsContact C-N 3.33Å; I111-T113 PolarHBondContact O-N 2.91Å; I111-S114 PolarHBondContact O-N 2.93Å; I111-F115 PolarHBondContact O-N 3.39Å
112L98.4Very high98.2Very high71 Ų7168.9 Ų68.937%0.37232%0.324SS..Hα-helixtrans-58.8-46.6175.5-70.2174.3000111W49 V108 L109 S114 F115 Y116W49-L112 HydrophobicContact CE3-CB 4.34Å; W49-L112 HydrophobicContact CH2-CB 4.17Å; W49-L112 HydrophobicContact CH2-CD1 4.31Å; W49-L112 HydrophobicContact CZ3-CB 3.77Å; W49-L112 HydrophobicContact CZ3-CD1 4.27Å; V108-L112 HydrophobicContact CG1-CD1 4.17Å; V108-L112 HydrophobicContact CG1-CG 4.46Å; V108-L112 WeakPolarHBondContact O-CG 3.36Å; V108-L112 PolarHBondContact O-N 3.28Å; L109-L112 PolarHBondContact O-N 3.02Å; L112-S114 VanDerWaalsContact C-N 3.33Å; L112-S114 PolarHBondContact O-N 2.86Å; L112-F115 WeakPolarHBondContact O-CB 3.35Å; L112-F115 PolarHBondContact O-N 3.46Å; L112-Y116 HydrophobicContact CD2-CE2 4.43Å; L112-Y116 WeakPolarHBondContact O-CD2 3.46Å; L112-Y116 PolarHBondContact O-N 3.39Å
113T98.4Very high98.2Very high0 Ų070.7 Ų70.70%033%0.333CS..Hα-helixtrans-57.6-47.6177.5-60.20000111W49 N53 L109 Y110 I111 F115 Y116 T117 N127W49-T113 HydrophobicContact CB-CG2 4.05Å; W49-T113 PolarHBondContact O-OG1 3.13Å; N53-T113 HydrophobicContact CB-CG2 4.41Å; L109-T113 VanDerWaalsContact O-CB 3.32Å; L109-T113 WeakPolarHBondContact O-CB 3.42Å; L109-T113 PolarHBondContact O-N 3.43Å; L109-T113 PolarHBondContact O-OG1 3.07Å; Y110-T113 PolarHBondContact O-N 2.77Å; I111-T113 VanDerWaalsContact C-N 3.33Å; I111-T113 PolarHBondContact O-N 2.91Å; T113-F115 VanDerWaalsContact C-N 3.31Å; T113-F115 PolarHBondContact O-N 3.17Å; T113-Y116 PolarHBondContact O-N 2.82Å; T113-T117 HydrophobicContact CG2-CG2 4.13Å; T113-T117 WeakPolarHBondContact O-CB 3.41Å; T113-T117 WeakPolarHBondContact O-CG2 3.44Å; T113-T117 PolarHBondContact O-N 3.08Å; T113-T117 PolarHBondContact O-OG1 3.06Å; T113-N127 HydrophobicContact CG2-CB 4.46Å; T113-N127 VanDerWaalsContact CG2-ND2 3.35Å; T113-N127 WeakPolarHBondContact CG2-ND2 3.44Å
114S98.3Very high98.2Very high4 Ų473 Ų733%0.02834%0.34CS..Hα-helixtrans-60.3-40.7178.5-58.90000112.3Y110 I111 L112 T117 K118 Y119Y110-S114 WeakPolarHBondContact O-CB 3.2Å; Y110-S114 PolarHBondContact O-N 3.07Å; Y110-S114 PolarHBondContact O-OG 3.29Å; I111-S114 PolarHBondContact O-N 2.93Å; L112-S114 VanDerWaalsContact C-N 3.33Å; L112-S114 PolarHBondContact O-N 2.86Å; S114-T117 PolarHBondContact O-OG1 2.89Å; S114-K118 PolarHBondContact O-N 2.86Å; S114-Y119 PolarHBondContact O-N 3.26Å
115F98.3Very high98.2Very high123 Ų12372.8 Ų72.854%0.53934%0.342SS..Hα-helixtrans-63.8-50176.1179.4-97.4000111.8I111 L112 T113 T117 K118I111-F115 PolarHBondContact O-N 3.39Å; L112-F115 WeakPolarHBondContact O-CB 3.35Å; L112-F115 PolarHBondContact O-N 3.46Å; T113-F115 VanDerWaalsContact C-N 3.31Å; T113-F115 PolarHBondContact O-N 3.17Å; F115-T117 VanDerWaalsContact C-N 3.33Å; F115-T117 PolarHBondContact O-N 3.21Å; F115-K118 PolarHBondContact O-N 3.19Å
116Y98.1Very high98.2Very high109 Ų10974.8 Ų74.843%0.42735%0.354SS..Hα-helixtrans-73.6-21.8-178.4-76-71.8000114W49 L112 T113W49-Y116 AromaticContact CD1-CG 3.76Å; W49-Y116 AromaticContact CD2-CD2 3.82Å; W49-Y116 HydrophobicContact CD2-CD2 3.82Å; W49-Y116 HydrophobicContact CD2-CG 4.21Å; W49-Y116 AromaticContact CE2-CD2 3.24Å; W49-Y116 AromaticContact CE2-CE2 3.74Å; W49-Y116 AromaticContact CE2-CG 3.64Å; W49-Y116 HydrophobicContact CE3-CD2 4.39Å; W49-Y116 HydrophobicContact CG-CD2 4.36Å; W49-Y116 HydrophobicContact CG-CG 4.29Å; W49-Y116 HydrophobicContact CH2-CD2 4.01Å; W49-Y116 AromaticContact CH2-CE2 3.91Å; W49-Y116 HydrophobicContact CH2-CE2 3.91Å; W49-Y116 AromaticContact CZ2-CD2 3.36Å; W49-Y116 HydrophobicContact CZ2-CD2 3.36Å; W49-Y116 AromaticContact CZ2-CE2 3.33Å; W49-Y116 HydrophobicContact CZ2-CE2 3.33Å; W49-Y116 HydrophobicContact CZ2-CG 4.13Å; W49-Y116 HydrophobicContact CZ3-CD2 4.48Å; W49-Y116 AromaticContact NE1-CD1 3.82Å; W49-Y116 AromaticContact NE1-CD2 3.48Å; W49-Y116 AromaticContact NE1-CG 3.31Å; W49-Y116 VanDerWaalsContact NE1-CG 3.31Å; L112-Y116 HydrophobicContact CD2-CE2 4.43Å; L112-Y116 WeakPolarHBondContact O-CD2 3.46Å; L112-Y116 PolarHBondContact O-N 3.39Å; T113-Y116 PolarHBondContact O-N 2.82Å
117T98.2Very high98.2Very high7 Ų774.7 Ų74.74%0.04335%0.354CS..THydrogen-bonded Turntrans-85.76.8169.565.40000112.5P46 T113 S114 F115 Y119 D120 H123P46-T117 HydrophobicContact CB-CG2 3.97Å; P46-T117 WeakPolarHBondContact O-CG2 3.23Å; T113-T117 HydrophobicContact CG2-CG2 4.13Å; T113-T117 WeakPolarHBondContact O-CB 3.41Å; T113-T117 WeakPolarHBondContact O-CG2 3.44Å; T113-T117 PolarHBondContact O-N 3.08Å; T113-T117 PolarHBondContact O-OG1 3.06Å; S114-T117 PolarHBondContact O-OG1 2.89Å; F115-T117 VanDerWaalsContact C-N 3.33Å; F115-T117 PolarHBondContact O-N 3.21Å; T117-Y119 PolarHBondContact O-N 2.94Å; T117-Y119 VanDerWaalsContact O-N 3.13Å; T117-D120 WeakPolarHBondContact O-CB 3.22Å; T117-D120 PolarHBondContact O-N 3.12Å; T117-H123 HydrophobicContact CG2-CB 3.71Å
118K97.7Very high98.2Very high185 Ų18573.7 Ų73.780%0.80435%0.351SS*.THydrogen-bonded Turntrans52.833.3-179.3-55.5179.4-179.5177.90113.1S114 F115 D120S114-K118 PolarHBondContact O-N 2.86Å; F115-K118 PolarHBondContact O-N 3.19Å; K118-D120 PolarHBondContact O-N 3.22Å; K118-D120 VanDerWaalsContact O-N 3.15Å
119Y96.2Very high98.2Very high146 Ų14674.4 Ų74.457%0.57336%0.355SS*.THydrogen-bonded Turntrans55.728.2-176.9-51.3-87.5000113.9S114 T117 R121S114-Y119 PolarHBondContact O-N 3.26Å; T117-Y119 PolarHBondContact O-N 2.94Å; T117-Y119 VanDerWaalsContact O-N 3.13Å; Y119-R121 PolarHBondContact O-N 2.86Å
120D98.2Very high98.2Very high71 Ų7174.5 Ų74.538%0.3836%0.356SS..  trans-52.2136.1169.5173.6-95.7000110.5T117 K118 V122 H123 F124T117-D120 WeakPolarHBondContact O-CB 3.22Å; T117-D120 PolarHBondContact O-N 3.12Å; K118-D120 PolarHBondContact O-N 3.22Å; K118-D120 VanDerWaalsContact O-N 3.15Å; D120-V122 VanDerWaalsContact C-N 3.34Å; D120-V122 PolarHBondContact O-N 3.19Å; D120-V122 WeakPolarHBondContact OD1-CB 3.5Å; D120-V122 PolarHBondContact OD1-N 2.72Å; D120-H123 HydrophobicContact CB-CB 4.36Å; D120-H123 PolarHBondContact O-N 2.69Å; D120-H123 IonicContact OD1-CD2 2.78Å; D120-H123 PolarHBondContact OD1-CD2 3.44Å; D120-H123 VanDerWaalsContact OD1-CD2 3.29Å; D120-H123 IonicContact OD1-CG 3.48Å; D120-H123 PolarHBondContact OD1-N 3.01Å; D120-H123 VanDerWaalsContact OD1-N 3.14Å; D120-F124 VanDerWaalsContact O-CB 3.23Å; D120-F124 WeakPolarHBondContact O-CB 3.38Å; D120-F124 PolarHBondContact O-N 3.43Å
121R97.9Very high98.2Very high212 Ų21273.8 Ų73.880%0.836%0.355SS*.Hα-helixtrans-63.9-39.5-169.9-64.4-179-1731672.4112.3Y119 F124 V125Y119-R121 PolarHBondContact O-N 2.86Å; R121-F124 PolarHBondContact O-N 3.47Å; R121-V125 WeakPolarHBondContact O-CG2 3.38Å; R121-V125 PolarHBondContact O-N 2.92Å
122V97.9Very high98.2Very high102 Ų10273.2 Ų73.262%0.61835%0.352SS*.Hα-helixtrans-69.2-50.1-177.2178.30000109.1D120 F124 V125 V126D120-V122 VanDerWaalsContact C-N 3.34Å; D120-V122 PolarHBondContact O-N 3.19Å; D120-V122 WeakPolarHBondContact OD1-CB 3.5Å; D120-V122 PolarHBondContact OD1-N 2.72Å; V122-F124 VanDerWaalsContact C-N 3.32Å; V122-F124 PolarHBondContact O-N 2.68Å; V122-V125 PolarHBondContact O-N 2.77Å; V122-V126 WeakPolarHBondContact O-CB 3.14Å; V122-V126 VanDerWaalsContact O-CG2 3.31Å; V122-V126 WeakPolarHBondContact O-CG2 3.43Å; V122-V126 PolarHBondContact O-N 3.16Å; V122-V126 VanDerWaalsContact O-N 3.08Å
123H98.3Very high98Very high39 Ų3972.9 Ų72.918%0.18135%0.353CS..Hα-helixtrans-58.1-44.9175.6-71.3-70.5000111.6T50 T117 D120 V125 V126 N127T50-H123 PolarHBondContact OG1-ND1 3.35Å; T117-H123 HydrophobicContact CG2-CB 3.71Å; D120-H123 HydrophobicContact CB-CB 4.36Å; D120-H123 PolarHBondContact O-N 2.69Å; D120-H123 IonicContact OD1-CD2 2.78Å; D120-H123 PolarHBondContact OD1-CD2 3.44Å; D120-H123 VanDerWaalsContact OD1-CD2 3.29Å; D120-H123 IonicContact OD1-CG 3.48Å; D120-H123 PolarHBondContact OD1-N 3.01Å; D120-H123 VanDerWaalsContact OD1-N 3.14Å; H123-V125 PolarHBondContact O-N 2.8Å; H123-V126 PolarHBondContact O-N 3.48Å; H123-N127 VanDerWaalsContact O-CB 3.29Å; H123-N127 WeakPolarHBondContact O-CB 3.34Å; H123-N127 PolarHBondContact O-N 2.9Å; H123-N127 PolarHBondContact O-ND2 3.31Å
124F98.1Very high97.9Very high88 Ų8872.9 Ų72.939%0.38635%0.353SS..Hα-helixtrans-59.3-50.2-179.6-176.9-93.8000112.4Y110 D120 R121 V122 N127 T128Y110-F124 WeakPolarHBondContact OH-CD2 3.37Å; Y110-F124 WeakPolarHBondContact OH-CE2 3.48Å; Y110-F124 VanDerWaalsContact OH-CZ 3.31Å; Y110-F124 WeakPolarHBondContact OH-CZ 3.32Å; D120-F124 VanDerWaalsContact O-CB 3.23Å; D120-F124 WeakPolarHBondContact O-CB 3.38Å; D120-F124 PolarHBondContact O-N 3.43Å; R121-F124 PolarHBondContact O-N 3.47Å; V122-F124 VanDerWaalsContact C-N 3.32Å; V122-F124 PolarHBondContact O-N 2.68Å; F124-N127 PolarHBondContact O-N 2.87Å; F124-T128 WeakPolarHBondContact O-CB 3.23Å; F124-T128 PolarHBondContact O-N 3.3Å; F124-T128 PolarHBondContact O-OG1 2.87Å
125V98.5Very high97.9Very high88 Ų8874.3 Ų74.353%0.53336%0.36SS..Hα-helixtrans-63.4-47.5-179.2171.50000111.1R121 V122 H123 N127 T128 V129R121-V125 WeakPolarHBondContact O-CG2 3.38Å; R121-V125 PolarHBondContact O-N 2.92Å; V122-V125 PolarHBondContact O-N 2.77Å; H123-V125 PolarHBondContact O-N 2.8Å; V125-N127 PolarHBondContact O-N 3.19Å; V125-T128 PolarHBondContact O-N 3.12Å; V125-V129 HydrophobicContact CG1-CG2 4.49Å; V125-V129 WeakPolarHBondContact O-CG2 3.42Å; V125-V129 PolarHBondContact O-N 2.86Å
126V98.5Very high97.8Very high57 Ų5772 Ų7235%0.34535%0.353SS..Hα-helixtrans-59.9-46.9-179.6168.10000111.3T50 L54 V122 H123 T128 S130T50-V126 HydrophobicContact CG2-CG1 4.21Å; L54-V126 HydrophobicContact CD1-CG1 3.88Å; L54-V126 HydrophobicContact CD2-CG1 3.87Å; L54-V126 HydrophobicContact CG-CG1 4.31Å; V122-V126 WeakPolarHBondContact O-CB 3.14Å; V122-V126 VanDerWaalsContact O-CG2 3.31Å; V122-V126 WeakPolarHBondContact O-CG2 3.43Å; V122-V126 PolarHBondContact O-N 3.16Å; V122-V126 VanDerWaalsContact O-N 3.08Å; H123-V126 PolarHBondContact O-N 3.48Å; V126-T128 VanDerWaalsContact C-N 3.34Å; V126-T128 PolarHBondContact O-N 3.16Å; V126-S130 WeakPolarHBondContact O-CB 3.45Å; V126-S130 PolarHBondContact O-N 2.66Å
127N98.5Very high97.6Very high0 Ų068.5 Ų68.50%034%0.343CS..Hα-helixtrans-69.3-32.2179.2-73.7-65.9000112.4T50 N53 Y110 T113 H123 F124 V125 L131T50-N127 PolarHBondContact OG1-ND2 3.21Å; T50-N127 VanDerWaalsContact OG1-ND2 3.09Å; N53-N127 WeakPolarHBondContact CB-OD1 3.45Å; N53-N127 PolarHBondContact ND2-OD1 3.17Å; Y110-N127 HydrophobicContact CD2-CB 3.77Å; Y110-N127 HydrophobicContact CE2-CB 3.79Å; T113-N127 HydrophobicContact CG2-CB 4.46Å; T113-N127 VanDerWaalsContact CG2-ND2 3.35Å; T113-N127 WeakPolarHBondContact CG2-ND2 3.44Å; H123-N127 VanDerWaalsContact O-CB 3.29Å; H123-N127 WeakPolarHBondContact O-CB 3.34Å; H123-N127 PolarHBondContact O-N 2.9Å; H123-N127 PolarHBondContact O-ND2 3.31Å; F124-N127 PolarHBondContact O-N 2.87Å; V125-N127 PolarHBondContact O-N 3.19Å; N127-L131 WeakPolarHBondContact O-CB 2.95Å; N127-L131 PolarHBondContact O-N 3.23Å
128T98.6Very high97.5Very high37 Ų3768.6 Ų68.623%0.22734%0.343CS..Hα-helixtrans-65.8-50.9175.5-60.80000110.7Y110 F124 V125 V126 S130 L131 L132Y110-T128 PolarHBondContact OH-OG1 3.37Å; F124-T128 WeakPolarHBondContact O-CB 3.23Å; F124-T128 PolarHBondContact O-N 3.3Å; F124-T128 PolarHBondContact O-OG1 2.87Å; V125-T128 PolarHBondContact O-N 3.12Å; V126-T128 VanDerWaalsContact C-N 3.34Å; V126-T128 PolarHBondContact O-N 3.16Å; T128-S130 VanDerWaalsContact C-N 3.28Å; T128-S130 PolarHBondContact O-N 3.23Å; T128-L131 PolarHBondContact O-N 3.44Å; T128-L131 VanDerWaalsContact O-N 3.16Å; T128-L132 HydrophobicContact CG2-CD1 4.27Å; T128-L132 HydrophobicContact CG2-CG 4.49Å; T128-L132 WeakPolarHBondContact O-CG 3.3Å; T128-L132 PolarHBondContact O-N 3Å
129V98.5Very high97.4Very high87 Ų8763.8 Ų63.853%0.52733%0.326SS..Hα-helixtrans-57.5-47.2178.3171.80000109.8V125 L131 L132 T133V125-V129 HydrophobicContact CG1-CG2 4.49Å; V125-V129 WeakPolarHBondContact O-CG2 3.42Å; V125-V129 PolarHBondContact O-N 2.86Å; V129-L131 PolarHBondContact O-N 3.17Å; V129-L132 PolarHBondContact O-N 3.28Å; V129-T133 WeakPolarHBondContact O-CG2 3.33Å; V129-T133 PolarHBondContact O-N 3.13Å; V129-T133 VanDerWaalsContact O-N 3.16Å
130S98.4Very high97.3Very high13 Ų1358.9 Ų58.99%0.09131%0.311CS..Hα-helixtrans-57.8-45.8176-178.80000112.8L54 N57 V126 T128 L132 T133L54-S130 WeakPolarHBondContact CD2-OG 3.37Å; N57-S130 VanDerWaalsContact CB-OG 3.27Å; N57-S130 WeakPolarHBondContact CB-OG 3.32Å; N57-S130 PolarHBondContact ND2-OG 3.14Å; V126-S130 WeakPolarHBondContact O-CB 3.45Å; V126-S130 PolarHBondContact O-N 2.66Å; T128-S130 VanDerWaalsContact C-N 3.28Å; T128-S130 PolarHBondContact O-N 3.23Å; S130-L132 VanDerWaalsContact C-N 3.33Å; S130-L132 PolarHBondContact O-N 3.49Å; S130-T133 PolarHBondContact O-N 3.3Å; S130-T133 PolarHBondContact O-OG1 3.31Å
131L98.6Very high97Very high15 Ų1562.4 Ų62.48%0.07933%0.326CS..Hα-helixtrans-60.5-43177.518066.1000111.5P106 I107 Y110 N127 T128 V129 T133 V134 L135P106-L131 HydrophobicContact CB-CD1 3.84Å; I107-L131 HydrophobicContact CG1-CD1 4.32Å; Y110-L131 HydrophobicContact CD1-CD2 3.79Å; Y110-L131 HydrophobicContact CD2-CB 4.32Å; Y110-L131 HydrophobicContact CD2-CD2 4.15Å; Y110-L131 HydrophobicContact CE1-CD2 4.37Å; Y110-L131 HydrophobicContact CG-CD2 3.67Å; N127-L131 WeakPolarHBondContact O-CB 2.95Å; N127-L131 PolarHBondContact O-N 3.23Å; T128-L131 PolarHBondContact O-N 3.44Å; T128-L131 VanDerWaalsContact O-N 3.16Å; V129-L131 PolarHBondContact O-N 3.17Å; L131-T133 VanDerWaalsContact C-N 3.28Å; L131-T133 PolarHBondContact O-N 3.49Å; L131-V134 HydrophobicContact CD1-CG1 4.45Å; L131-V134 WeakPolarHBondContact O-CG1 3.46Å; L131-V134 PolarHBondContact O-N 2.99Å; L131-V134 VanDerWaalsContact O-N 3.16Å; L131-L135 HydrophobicContact CD1-CD1 3.78Å; L131-L135 HydrophobicContact CD1-CD2 4.36Å; L131-L135 HydrophobicContact CD1-CG 3.82Å; L131-L135 HydrophobicContact CD2-CD1 3.96Å; L131-L135 HydrophobicContact CG-CD1 3.63Å; L131-L135 HydrophobicContact CG-CG 3.97Å; L131-L135 WeakPolarHBondContact O-CG 3.27Å; L131-L135 PolarHBondContact O-N 3.42Å
132L98.1Very high96.7Very high84 Ų8454.4 Ų54.444%0.4430%0.298SS..Hα-helixtrans-61.6-36.5179.2-68.7177.4000112.1T128 V129 S130 V134 L135 I136T128-L132 HydrophobicContact CG2-CD1 4.27Å; T128-L132 HydrophobicContact CG2-CG 4.49Å; T128-L132 WeakPolarHBondContact O-CG 3.3Å; T128-L132 PolarHBondContact O-N 3Å; V129-L132 PolarHBondContact O-N 3.28Å; S130-L132 VanDerWaalsContact C-N 3.33Å; S130-L132 PolarHBondContact O-N 3.49Å; L132-V134 PolarHBondContact O-N 3.33Å; L132-L135 PolarHBondContact O-N 3.36Å; L132-I136 HydrophobicContact CB-CD1 4.04Å; L132-I136 WeakPolarHBondContact O-CB 3.42Å; L132-I136 VanDerWaalsContact O-CG1 3.29Å; L132-I136 WeakPolarHBondContact O-CG1 3.35Å; L132-I136 PolarHBondContact O-N 3.27Å
133T95.2Very high96.3Very high63 Ų6352.7 Ų52.739%0.38728%0.284SS..Hα-helixtrans-59.1-31.1177.467.20000113.2Y61 V129 S130 L131 P137Y61-T133 WeakPolarHBondContact CD2-O 3.48Å; V129-T133 WeakPolarHBondContact O-CG2 3.33Å; V129-T133 PolarHBondContact O-N 3.13Å; V129-T133 VanDerWaalsContact O-N 3.16Å; S130-T133 PolarHBondContact O-N 3.3Å; S130-T133 PolarHBondContact O-OG1 3.31Å; L131-T133 VanDerWaalsContact C-N 3.28Å; L131-T133 PolarHBondContact O-N 3.49Å; T133-P137 WeakPolarHBondContact O-CD 3.35Å; T133-P137 VanDerWaalsContact O-CG 3.31Å; T133-P137 WeakPolarHBondContact O-CG 3.2Å
134V96.6Very high95.8Very high0 Ų052.8 Ų52.80%030%0.295CS..Hα-helixtrans-99.4-20.2-178.579.10000113.2N57 M60 P106 L131 L132 K138N57-V134 HydrophobicContact CB-CG1 4.32Å; M60-V134 HydrophobicContact CB-CG2 3.98Å; P106-V134 HydrophobicContact CB-CG1 4.08Å; P106-V134 HydrophobicContact CG-CG1 4.29Å; L131-V134 HydrophobicContact CD1-CG1 4.45Å; L131-V134 WeakPolarHBondContact O-CG1 3.46Å; L131-V134 PolarHBondContact O-N 2.99Å; L131-V134 VanDerWaalsContact O-N 3.16Å; L132-V134 PolarHBondContact O-N 3.33Å; V134-K138 VanDerWaalsContact O-CD 3.23Å; V134-K138 WeakPolarHBondContact O-CD 3.03Å; V134-K138 WeakPolarHBondContact O-CE 3.33Å; V134-K138 VanDerWaalsContact O-CG 3.31Å; V134-K138 WeakPolarHBondContact O-CG 3.25Å
135L97.7Very high95.3Very high35 Ų3552 Ų5218%0.18330%0.297CS..Hα-helixtrans-87.9-40177.6-69.1-170.7000113.2T103 P106 I107 L131 L132 K138T103-L135 HydrophobicContact CG2-CD2 4Å; P106-L135 HydrophobicContact CG-CD2 4.31Å; I107-L135 HydrophobicContact CD1-CD1 4.08Å; I107-L135 HydrophobicContact CD1-CD2 4.3Å; I107-L135 HydrophobicContact CG1-CD1 3.84Å; I107-L135 HydrophobicContact CG1-CD2 4.2Å; L131-L135 HydrophobicContact CD1-CD1 3.78Å; L131-L135 HydrophobicContact CD1-CD2 4.36Å; L131-L135 HydrophobicContact CD1-CG 3.82Å; L131-L135 HydrophobicContact CD2-CD1 3.96Å; L131-L135 HydrophobicContact CG-CD1 3.63Å; L131-L135 HydrophobicContact CG-CG 3.97Å; L131-L135 WeakPolarHBondContact O-CG 3.27Å; L131-L135 PolarHBondContact O-N 3.42Å; L132-L135 PolarHBondContact O-N 3.36Å; L135-K138 WeakPolarHBondContact O-CB 3.47Å; L135-K138 PolarHBondContact O-N 3.36Å
136I96.3Very high94.7Very high74 Ų7450.6 Ų50.638%0.37928%0.282SS..G310 helixtrans-56.4-50.4-178.2-70169.9000110.8L132 K138 L139 L142L132-I136 HydrophobicContact CB-CD1 4.04Å; L132-I136 WeakPolarHBondContact O-CB 3.42Å; L132-I136 VanDerWaalsContact O-CG1 3.29Å; L132-I136 WeakPolarHBondContact O-CG1 3.35Å; L132-I136 PolarHBondContact O-N 3.27Å; I136-K138 PolarHBondContact O-N 2.88Å; I136-L139 WeakPolarHBondContact O-CB 3.22Å; I136-L139 VanDerWaalsContact O-CG 3.32Å; I136-L139 WeakPolarHBondContact O-CG 3.34Å; I136-L139 PolarHBondContact O-N 3.08Å; I136-L139 VanDerWaalsContact O-N 3.07Å; I136-L142 HydrophobicContact CG2-CD1 3.41Å; I136-L142 VanDerWaalsContact CG2-CD1 3.41Å; I136-L142 WeakPolarHBondContact O-CD1 3.3Å
137P94.7Very high93.7Very high35 Ų3551.7 Ų51.723%0.22729%0.285CS..G310 helixtrans-66.6-12-179.8-19.733.9000114.5Y61 H65 T133Y61-P137 HydrophobicContact CE2-CG 4.16Å; H65-P137 HydrophobicContact CB-CB 4.49Å; T133-P137 WeakPolarHBondContact O-CD 3.35Å; T133-P137 VanDerWaalsContact O-CG 3.31Å; T133-P137 WeakPolarHBondContact O-CG 3.2Å
138K95.8Very high92.7Very high10 Ų1061.1 Ų61.14%0.04333%0.327CS..G310 helixtrans-84.2-13.4176.4-66.9177.2-176.5161.20113.2W86 L102 V134 L135 I136W86-K138 HydrophobicContact CD2-CG 4.06Å; W86-K138 HydrophobicContact CE3-CG 4.24Å; W86-K138 HydrophobicContact CH2-CB 4.02Å; W86-K138 HydrophobicContact CH2-CD 3.91Å; W86-K138 HydrophobicContact CH2-CG 3.8Å; W86-K138 HydrophobicContact CZ2-CB 3.5Å; W86-K138 VanDerWaalsContact CZ2-CB 3.5Å; W86-K138 HydrophobicContact CZ2-CD 4.23Å; W86-K138 HydrophobicContact CZ2-CG 3.61Å; W86-K138 HydrophobicContact CZ3-CD 4.09Å; W86-K138 HydrophobicContact CZ3-CG 4.11Å; L102-K138 PolarHBondContact O-NZ 2.94Å; V134-K138 VanDerWaalsContact O-CD 3.23Å; V134-K138 WeakPolarHBondContact O-CD 3.03Å; V134-K138 WeakPolarHBondContact O-CE 3.33Å; V134-K138 VanDerWaalsContact O-CG 3.31Å; V134-K138 WeakPolarHBondContact O-CG 3.25Å; L135-K138 WeakPolarHBondContact O-CB 3.47Å; L135-K138 PolarHBondContact O-N 3.36Å; I136-K138 PolarHBondContact O-N 2.88Å
139L94.7Very high91.4Very high84 Ų8461.2 Ų61.244%0.4434%0.335SS..SBendtrans-62.3133179.6-65.8177.1000110.6I136 Q141 L142I136-L139 WeakPolarHBondContact O-CB 3.22Å; I136-L139 VanDerWaalsContact O-CG 3.32Å; I136-L139 WeakPolarHBondContact O-CG 3.34Å; I136-L139 PolarHBondContact O-N 3.08Å; I136-L139 VanDerWaalsContact O-N 3.07Å; L139-Q141 PolarHBondContact O-N 3.1Å; L139-Q141 VanDerWaalsContact O-N 3.12Å; L139-L142 PolarHBondContact O-N 2.96Å
140P93.7Very high90.2Very high42 Ų4261.2 Ų61.227%0.27333%0.331SS..G310 helixtrans-53.5-33.8178.4-29.335.7000114.1Q94 F95 L142 H143Q94-P140 HydrophobicContact CB-CG 4.44Å; Q94-P140 HydrophobicContact CG-CB 4.12Å; Q94-P140 HydrophobicContact CG-CG 4.26Å; F95-P140 HydrophobicContact CE1-CG 4.34Å; F95-P140 HydrophobicContact CE2-CG 3.83Å; F95-P140 HydrophobicContact CZ-CG 3.56Å; P140-L142 PolarHBondContact O-N 3.1Å; P140-H143 VanDerWaalsContact O-CB 3.27Å; P140-H143 WeakPolarHBondContact O-CB 3.1Å; P140-H143 PolarHBondContact O-N 2.8Å
141Q92.7Very high88.8Confident146 Ų14662.8 Ų62.868%0.68234%0.339SS*.G310 helixtrans-65.5-21179.3-59.686.5-1900113.1L139L139-Q141 PolarHBondContact O-N 3.1Å; L139-Q141 VanDerWaalsContact O-N 3.12Å
142L92Very high87.5Confident43 Ų4368.4 Ų68.423%0.22536%0.363CS..G310 helixtrans-103.56.5179.9-65.8179.8000112.7I136 L139 P140 G144 V145 I147I136-L142 HydrophobicContact CG2-CD1 3.41Å; I136-L142 VanDerWaalsContact CG2-CD1 3.41Å; I136-L142 WeakPolarHBondContact O-CD1 3.3Å; L139-L142 PolarHBondContact O-N 2.96Å; P140-L142 PolarHBondContact O-N 3.1Å; L142-G144 PolarHBondContact O-N 3.5Å; L142-V145 HydrophobicContact CD2-CB 4.28Å; L142-V145 HydrophobicContact CD2-CG1 4.23Å; L142-V145 HydrophobicContact CD2-CG2 4.48Å; L142-V145 WeakPolarHBondContact O-CB 3.27Å; L142-V145 PolarHBondContact O-N 3.37Å; L142-V145 VanDerWaalsContact O-N 3.11Å; L142-I147 HydrophobicContact CD1-CD1 4.06Å; L142-I147 HydrophobicContact CD2-CD1 4.04Å; L142-I147 HydrophobicContact CD2-CG1 4.49Å
143H90Very high86.2Confident67 Ų6774.3 Ų74.331%0.3138%0.38SS..THydrogen-bonded Turntrans-63.9124.4175.6-169.685.2000110.9E87 Q94 P140 V145E87-H143 PolarHBondContact O-CE1 2.89Å; Q94-H143 PolarHBondContact NE2-ND1 2.52Å; P140-H143 VanDerWaalsContact O-CB 3.27Å; P140-H143 WeakPolarHBondContact O-CB 3.1Å; P140-H143 PolarHBondContact O-N 2.8Å; H143-V145 PolarHBondContact O-N 3.18Å
144G86.2Confident85.7Confident41 Ų4174.9 Ų74.942%0.42338%0.38SS..THydrogen-bonded Turntrans76.2-4-176.500000114.5E87 L142E87-G144 WeakPolarHBondContact OE1-CA 3.27Å; E87-G144 PolarHBondContact OE1-N 3.4Å; L142-G144 PolarHBondContact O-N 3.5Å
145V87.5Confident85.1Confident70 Ų7078.8 Ų78.842%0.42440%0.4SS..  trans-82.4139.5-178.1-178.20000109.9L142 H143 I147L142-V145 HydrophobicContact CD2-CB 4.28Å; L142-V145 HydrophobicContact CD2-CG1 4.23Å; L142-V145 HydrophobicContact CD2-CG2 4.48Å; L142-V145 WeakPolarHBondContact O-CB 3.27Å; L142-V145 PolarHBondContact O-N 3.37Å; L142-V145 VanDerWaalsContact O-N 3.11Å; H143-V145 PolarHBondContact O-N 3.18Å; V145-I147 HydrophobicContact CG1-CG1 4.05Å
146R86.8Confident84.4Confident59 Ų5981.2 Ų81.222%0.22341%0.412CS..  trans-115.978.7179.5-59.4-62.9-179.2-104.26.2109.2L82 E87 F148 G149 I150 N151L82-R146 PolarHBondContact O-NH2 3.3Å; E87-R146 IonicContact OE1-CZ 3.89Å; E87-R146 IonicContact OE1-NH1 3.54Å; E87-R146 PolarHBondContact OE1-NH1 2.83Å; E87-R146 IonicContact OE1-NH2 2.68Å; E87-R146 PolarHBondContact OE1-NH2 3.16Å; E87-R146 IonicContact OE2-CZ 3.29Å; E87-R146 IonicContact OE2-NH1 3.54Å; E87-R146 PolarHBondContact OE2-NH1 2.68Å; E87-R146 IonicContact OE2-NH2 3.43Å; E87-R146 PolarHBondContact OE2-NH2 3.23Å; R146-F148 PolarHBondContact O-N 2.63Å; R146-G149 PolarHBondContact O-N 3.18Å; R146-I150 WeakPolarHBondContact CB-O 3.4Å; R146-I150 WeakPolarHBondContact CD-O 3.06Å; R146-N151 WeakPolarHBondContact CD-O 2.93Å; R146-N151 PolarHBondContact NE-O 3.05Å
147I77.2Confident83.8Confident80 Ų8081.6 Ų81.641%0.4141%0.414SS..G310 helixtrans-59.8129.7-179.8-49.7179.3000108.4L142 V145 G149 I150L142-I147 HydrophobicContact CD1-CD1 4.06Å; L142-I147 HydrophobicContact CD2-CD1 4.04Å; L142-I147 HydrophobicContact CD2-CG1 4.49Å; V145-I147 HydrophobicContact CG1-CG1 4.05Å; I147-G149 PolarHBondContact O-N 3.41Å; I147-I150 PolarHBondContact O-N 2.82Å
148F76.7Confident83.1Confident199 Ų19984.6 Ų84.687%0.87343%0.426SS*.G310 helixtrans56.618.4-175.6-50.1-62.4000115.4R146 I150R146-F148 PolarHBondContact O-N 2.63Å; F148-I150 PolarHBondContact O-N 3.14Å
149G72.1Confident82.2Confident39 Ų3989.5 Ų89.540%0.40245%0.451SS..G310 helixtrans746.5-178.200000114.8R146 I147 N151 K152R146-G149 PolarHBondContact O-N 3.18Å; I147-G149 PolarHBondContact O-N 3.41Å; G149-N151 PolarHBondContact O-N 2.87Å; G149-K152 WeakPolarHBondContact O-CB 3.36Å; G149-K152 PolarHBondContact O-N 2.91Å
150I72.9Confident81.3Confident87 Ų8789.9 Ų89.945%0.44645%0.452SS..THydrogen-bonded Turntrans-57132.5169.3-61.6172000107.5R146 I147 F148 K152R146-I150 WeakPolarHBondContact CB-O 3.4Å; R146-I150 WeakPolarHBondContact CD-O 3.06Å; I147-I150 PolarHBondContact O-N 2.82Å; F148-I150 PolarHBondContact O-N 3.14Å; I150-K152 VanDerWaalsContact C-N 3.34Å; I150-K152 PolarHBondContact O-N 3.45Å
151N68.9Low80.4Confident45 Ų4593.6 Ų93.624%0.24147%0.466CS..THydrogen-bonded Turntrans6329.1-179.2-65.4-25.9000115H65 K68 R146 G149 Y153H65-N151 PolarHBondContact O-ND2 3.45Å; K68-N151 VanDerWaalsContact CE-CB 3.48Å; K68-N151 VanDerWaalsContact CE-O 3.26Å; K68-N151 WeakPolarHBondContact CE-O 3.48Å; K68-N151 VanDerWaalsContact NZ-C 3.3Å; K68-N151 PolarHBondContact NZ-O 2.94Å; R146-N151 WeakPolarHBondContact CD-O 2.93Å; R146-N151 PolarHBondContact NE-O 3.05Å; G149-N151 PolarHBondContact O-N 2.87Å; N151-Y153 VanDerWaalsContact C-N 3.33Å; N151-Y153 PolarHBondContact O-N 2.97Å
152K72.5Confident79.4Confident134 Ų13489.3 Ų89.358%0.58345%0.448SS*.  trans-67.9-30.6178-168.7177.1179.1-174.20114G149 I150G149-K152 WeakPolarHBondContact O-CB 3.36Å; G149-K152 PolarHBondContact O-N 2.91Å; I150-K152 VanDerWaalsContact C-N 3.34Å; I150-K152 PolarHBondContact O-N 3.45Å
153Y69.6Low78.2Confident207 Ų20793.5 Ų93.581%0.81247%0.468SS*.  trans-113.90-179.4-49.9-69.9000109.9K68 L82 N151K68-Y153 PolarHBondContact NZ-O 3.17Å; K68-Y153 PolarHBondContact NZ-OXT 3Å; L82-Y153 WeakPolarHBondContact CD2-OXT 3.3Å; N151-Y153 VanDerWaalsContact C-N 3.33Å; N151-Y153 PolarHBondContact O-N 2.97Å

Retrieved 153 of 153 residues in 259.1 ms (Link to these results)

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