A0A077YXT5_TRITR Loading...

GLTP domain containing protein

AlphaFold DB , UniProt , Accession A0A077YXT5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 155 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
1M58.9Low89.3Confident142 Ų14267.5 Ų67.570%0.734%0.34SS*.  0125.90-172.4173.7-64.300107.8I6 R42M1-I6 HydrophobicContact CB-CD1 4.33Å; M1-I6 HydrophobicContact CG-CD1 3.87Å; M1-I6 HydrophobicContact CG-CG1 3.78Å; M1-I6 HydrophobicContact SD-CD1 3.69Å; M1-I6 HydrophobicContact SD-CG1 3.38Å; M1-I6 WeakPolarHBondContact SD-CG1 3.41Å; M1-R42 HydrophobicContact SD-CG 4.42Å
2D88.5Confident89.7Confident95 Ų9576.3 Ų76.351%0.50837%0.374SS..  trans-62.9131.6175.4-175.2-12.3000110T4 R5 I6D2-T4 PolarHBondContact OD1-N 3.31Å; D2-T4 PolarHBondContact OD1-OG1 2.74Å; D2-T4 PolarHBondContact OD2-OG1 3.42Å; D2-T4 VanDerWaalsContact OD2-OG1 3.08Å; D2-R5 HydrophobicContact CB-CB 4.06Å; D2-R5 WeakPolarHBondContact O-CB 3.49Å; D2-R5 PolarHBondContact O-N 3.47Å; D2-I6 PolarHBondContact O-N 2.71Å
3K90.3Very high89.9Confident73 Ų7374.2 Ų74.232%0.31737%0.372SS..Hα-helixtrans-71.4-32.4-177.3-69-175.1-17870.50112.1R5 I6 L7 T48 R51 L52K3-R5 VanDerWaalsContact C-N 3.26Å; K3-R5 PolarHBondContact O-N 2.81Å; K3-I6 PolarHBondContact O-N 2.72Å; K3-L7 PolarHBondContact O-N 2.89Å; K3-T48 HydrophobicContact CB-CG2 3.68Å; K3-T48 HydrophobicContact CG-CG2 4.07Å; K3-T48 WeakPolarHBondContact O-CG2 3.49Å; K3-R51 HydrophobicContact CD-CB 3.85Å; K3-R51 VanDerWaalsContact CE-CB 3.46Å; K3-R51 VanDerWaalsContact CE-CD 3.46Å; K3-L52 HydrophobicContact CB-CD1 3.9Å; K3-L52 HydrophobicContact CB-CD2 3.91Å; K3-L52 HydrophobicContact CB-CG 3.87Å; K3-L52 HydrophobicContact CD-CD2 4.23Å; K3-L52 HydrophobicContact CD-CG 4.1Å
4T91.3Very high90Very high81 Ų8182.8 Ų82.850%0.49741%0.41SS..Hα-helixtrans-64.3-37.9175.164.80000110.3D2 L7 S8D2-T4 PolarHBondContact OD1-N 3.31Å; D2-T4 PolarHBondContact OD1-OG1 2.74Å; D2-T4 PolarHBondContact OD2-OG1 3.42Å; D2-T4 VanDerWaalsContact OD2-OG1 3.08Å; T4-L7 PolarHBondContact O-N 3.44Å; T4-S8 PolarHBondContact O-N 2.82Å
5R93.6Very high90.1Very high113 Ų11381.5 Ų81.543%0.42641%0.405SS..Hα-helixtrans-62.8-43174.6-168.5172.273.287.1-8112.5D2 K3 S8 E9D2-R5 HydrophobicContact CB-CB 4.06Å; D2-R5 WeakPolarHBondContact O-CB 3.49Å; D2-R5 PolarHBondContact O-N 3.47Å; K3-R5 VanDerWaalsContact C-N 3.26Å; K3-R5 PolarHBondContact O-N 2.81Å; R5-S8 PolarHBondContact O-N 3.31Å; R5-E9 IonicContact CZ-OE1 3.53Å; R5-E9 IonicContact NH1-OE1 2.67Å; R5-E9 PolarHBondContact NH1-OE1 2.97Å; R5-E9 IonicContact NH1-OE2 3.55Å; R5-E9 WeakPolarHBondContact O-CG 3.33Å; R5-E9 PolarHBondContact O-N 2.66Å
6I92Very high90.2Very high8 Ų877 Ų774%0.04139%0.386CS..Hα-helixtrans-59.5-48176.7-68162.1000110.8M1 D2 K3 S8 E9 H10 R42 P43 T48M1-I6 HydrophobicContact CB-CD1 4.33Å; M1-I6 HydrophobicContact CG-CD1 3.87Å; M1-I6 HydrophobicContact CG-CG1 3.78Å; M1-I6 HydrophobicContact SD-CD1 3.69Å; M1-I6 HydrophobicContact SD-CG1 3.38Å; M1-I6 WeakPolarHBondContact SD-CG1 3.41Å; D2-I6 PolarHBondContact O-N 2.71Å; K3-I6 PolarHBondContact O-N 2.72Å; I6-S8 VanDerWaalsContact C-N 3.32Å; I6-S8 PolarHBondContact O-N 2.97Å; I6-E9 PolarHBondContact O-N 2.79Å; I6-E9 VanDerWaalsContact O-N 3.17Å; I6-H10 PolarHBondContact O-CD2 3.34Å; I6-H10 PolarHBondContact O-N 2.92Å; I6-H10 VanDerWaalsContact O-N 3.08Å; I6-R42 HydrophobicContact CG2-CB 4.35Å; I6-P43 HydrophobicContact CD1-CG 4.46Å; I6-T48 HydrophobicContact CB-CG2 3.99Å; I6-T48 HydrophobicContact CD1-CG2 4.4Å; I6-T48 HydrophobicContact CG2-CG2 3.99Å
7L93.8Very high90.5Very high38 Ų3879.7 Ų79.720%0.19940%0.396CS..Hα-helixtrans-62.7-39.2177.4-67.7176.9000111.9K3 T4 E9 H10 L11 M25 T48 L49 L52K3-L7 PolarHBondContact O-N 2.89Å; T4-L7 PolarHBondContact O-N 3.44Å; L7-E9 VanDerWaalsContact C-N 3.32Å; L7-E9 PolarHBondContact O-N 3.25Å; L7-H10 PolarHBondContact O-N 3.35Å; L7-L11 PolarHBondContact O-N 2.97Å; L7-M25 HydrophobicContact CD2-SD 4.24Å; L7-T48 HydrophobicContact CD1-CG2 4.49Å; L7-T48 HydrophobicContact CD2-CG2 4.18Å; L7-T48 HydrophobicContact CG-CG2 3.9Å; L7-L49 HydrophobicContact CD1-CB 4.27Å; L7-L49 HydrophobicContact CD1-CD1 4.16Å; L7-L49 HydrophobicContact CD2-CB 4.35Å; L7-L52 HydrophobicContact CD1-CD1 3.67Å
8S93.6Very high90.8Very high43 Ų4378.3 Ų78.330%0.30139%0.388SS..Hα-helixtrans-64.8-34.4174.4178.30000112.9T4 R5 I6 K12T4-S8 PolarHBondContact O-N 2.82Å; R5-S8 PolarHBondContact O-N 3.31Å; I6-S8 VanDerWaalsContact C-N 3.32Å; I6-S8 PolarHBondContact O-N 2.97Å; S8-K12 WeakPolarHBondContact O-CB 3.32Å; S8-K12 VanDerWaalsContact O-CG 3.27Å; S8-K12 WeakPolarHBondContact O-CG 3.12Å; S8-K12 PolarHBondContact O-N 3.39Å; S8-K12 VanDerWaalsContact O-N 3.09Å; S8-K12 WeakPolarHBondContact OG-CE 3.38Å
9E93.6Very high91Very high47 Ų4775.2 Ų75.222%0.2237%0.372CS..Hα-helixtrans-69.1-40.1177.3-74.8173.6138.500111R5 I6 L7 K12 S13 R42R5-E9 IonicContact CZ-OE1 3.53Å; R5-E9 IonicContact NH1-OE1 2.67Å; R5-E9 PolarHBondContact NH1-OE1 2.97Å; R5-E9 IonicContact NH1-OE2 3.55Å; R5-E9 WeakPolarHBondContact O-CG 3.33Å; R5-E9 PolarHBondContact O-N 2.66Å; I6-E9 PolarHBondContact O-N 2.79Å; I6-E9 VanDerWaalsContact O-N 3.17Å; L7-E9 VanDerWaalsContact C-N 3.32Å; L7-E9 PolarHBondContact O-N 3.25Å; E9-K12 PolarHBondContact O-N 2.73Å; E9-S13 PolarHBondContact O-N 3.43Å; E9-S13 VanDerWaalsContact O-N 3.12Å; E9-R42 VanDerWaalsContact CD-NE 3.27Å; E9-R42 IonicContact OE1-CZ 3.57Å; E9-R42 IonicContact OE1-NE 3.43Å; E9-R42 IonicContact OE1-NH2 3.56Å; E9-R42 PolarHBondContact OE1-NH2 3.48Å; E9-R42 WeakPolarHBondContact OE2-CD 3.43Å; E9-R42 IonicContact OE2-CZ 2.85Å; E9-R42 IonicContact OE2-NE 3.06Å; E9-R42 PolarHBondContact OE2-NE 3.32Å; E9-R42 IonicContact OE2-NH2 3.76Å
10H92.7Very high91.2Very high10 Ų1074.9 Ų74.95%0.04638%0.382CS..Hα-helixtrans-62.4-44.1172.7-73.6-45.5000112.2I6 L7 K12 S13 G16 Y19 P43I6-H10 PolarHBondContact O-CD2 3.34Å; I6-H10 PolarHBondContact O-N 2.92Å; I6-H10 VanDerWaalsContact O-N 3.08Å; L7-H10 PolarHBondContact O-N 3.35Å; H10-K12 VanDerWaalsContact C-N 3.28Å; H10-K12 PolarHBondContact O-N 3.19Å; H10-S13 WeakPolarHBondContact O-CB 3.29Å; H10-S13 PolarHBondContact O-N 2.67Å; H10-S13 PolarHBondContact O-OG 3.06Å; H10-G16 WeakPolarHBondContact O-CA 3.29Å; H10-Y19 HydrophobicContact CB-CD1 3.49Å; H10-Y19 VanDerWaalsContact CB-CD1 3.49Å; H10-Y19 HydrophobicContact CB-CD2 3.97Å; H10-Y19 HydrophobicContact CB-CE1 3.5Å; H10-Y19 HydrophobicContact CB-CE2 3.99Å; H10-Y19 HydrophobicContact CB-CG 3.74Å; H10-Y19 AromaticContact CD2-CE1 3.9Å; H10-Y19 AromaticContact CG-CE1 3.63Å; H10-Y19 AromaticContact CG-CZ 3.75Å; H10-Y19 AromaticContact ND1-CZ 3.93Å; H10-P43 PolarHBondContact NE2-O 3.12Å; H10-P43 VanDerWaalsContact NE2-O 3.07Å
11L94.1Very high91.5Very high93 Ų9375.2 Ų75.249%0.48739%0.385SS..Hα-helixtrans-63.4-31.9177.6-174.664.6000113.2L7 G16L7-L11 PolarHBondContact O-N 2.97Å; L11-G16 VanDerWaalsContact O-CA 3.26Å; L11-G16 WeakPolarHBondContact O-CA 3.42Å
12K93.9Very high93.3Very high173 Ų17370.3 Ų70.375%0.75236%0.363SS*.THydrogen-bonded Turntrans-87.8-5.5178.4-69.6175.5-176.5176.90113.8S8 E9 H10S8-K12 WeakPolarHBondContact O-CB 3.32Å; S8-K12 VanDerWaalsContact O-CG 3.27Å; S8-K12 WeakPolarHBondContact O-CG 3.12Å; S8-K12 PolarHBondContact O-N 3.39Å; S8-K12 VanDerWaalsContact O-N 3.09Å; S8-K12 WeakPolarHBondContact OG-CE 3.38Å; E9-K12 PolarHBondContact O-N 2.73Å; H10-K12 VanDerWaalsContact C-N 3.28Å; H10-K12 PolarHBondContact O-N 3.19Å
13S92.1Very high93.7Very high48 Ų4871.8 Ų71.834%0.33637%0.366SS..SBendtrans-73.9170.9178.976.50000111.9E9 H10 L15 G16E9-S13 PolarHBondContact O-N 3.43Å; E9-S13 VanDerWaalsContact O-N 3.12Å; H10-S13 WeakPolarHBondContact O-CB 3.29Å; H10-S13 PolarHBondContact O-N 2.67Å; H10-S13 PolarHBondContact O-OG 3.06Å; S13-L15 PolarHBondContact O-N 2.83Å; S13-L15 VanDerWaalsContact O-N 3.13Å; S13-L15 PolarHBondContact OG-N 3.47Å; S13-G16 PolarHBondContact O-N 3.1Å; S13-G16 PolarHBondContact OG-N 3.32Å
14E91.5Very high94Very high195 Ų19569 Ų6991%0.91136%0.356SS*.THydrogen-bonded Turntrans-57.7-24.7172-61-177.8169.500112.5G16E14-G16 VanDerWaalsContact C-N 3.34Å
15L91.1Very high94.3Very high64 Ų6465.5 Ų65.534%0.33533%0.334SS..THydrogen-bonded Turntrans-92.28177.3-59.5171.4000112.9S13 H17 H18 Y19 Y28S13-L15 PolarHBondContact O-N 2.83Å; S13-L15 VanDerWaalsContact O-N 3.13Å; S13-L15 PolarHBondContact OG-N 3.47Å; L15-H17 PolarHBondContact O-N 3Å; L15-H18 WeakPolarHBondContact O-CB 3.2Å; L15-H18 PolarHBondContact O-N 3.23Å; L15-Y19 HydrophobicContact CB-CE2 4.38Å; L15-Y19 WeakPolarHBondContact O-CD2 3.5Å; L15-Y28 WeakPolarHBondContact CD1-OH 3.26Å
16G92.4Very high94.5Very high9 Ų960.2 Ų60.29%0.09331%0.314CS..G310 helixtrans-54.6-28-172.800000114.9H10 L11 S13 E14 H18 Y19 A20H10-G16 WeakPolarHBondContact O-CA 3.29Å; L11-G16 VanDerWaalsContact O-CA 3.26Å; L11-G16 WeakPolarHBondContact O-CA 3.42Å; S13-G16 PolarHBondContact O-N 3.1Å; S13-G16 PolarHBondContact OG-N 3.32Å; E14-G16 VanDerWaalsContact C-N 3.34Å; G16-H18 VanDerWaalsContact C-N 3.25Å; G16-H18 PolarHBondContact O-N 3.04Å; G16-Y19 CarbonylContact O-C 3.56Å; G16-Y19 WeakPolarHBondContact O-CA 3.4Å; G16-Y19 PolarHBondContact O-N 2.93Å; G16-A20 PolarHBondContact O-N 3.16Å
17H94.6Very high94.7Very high123 Ų12365.9 Ų65.957%0.56934%0.335SS*.G310 helixtrans-61.5-30.2175.169.1-83.4000113.2L15 Y19 A20L15-H17 PolarHBondContact O-N 3Å; H17-Y19 VanDerWaalsContact C-N 3.3Å; H17-A20 WeakPolarHBondContact O-CB 3.47Å
18H95.9Very high94.8Very high54 Ų5466 Ų6625%0.2533%0.334CS..G310 helixtrans-71.3-26.7171.9-66.6-55.6000112.3L15 G16 S24 M25 Y28L15-H18 WeakPolarHBondContact O-CB 3.2Å; L15-H18 PolarHBondContact O-N 3.23Å; G16-H18 VanDerWaalsContact C-N 3.25Å; G16-H18 PolarHBondContact O-N 3.04Å; H18-S24 CarbonylContact O-C 3.32Å; H18-S24 WeakPolarHBondContact O-CB 3.43Å; H18-S24 PolarHBondContact O-OG 3.04Å; H18-M25 WeakPolarHBondContact O-CA 3.47Å; H18-M25 PolarHBondContact O-N 3.44Å; H18-Y28 HydrophobicContact CB-CD1 3.75Å; H18-Y28 HydrophobicContact CB-CD2 4.19Å; H18-Y28 HydrophobicContact CB-CE1 4.41Å; H18-Y28 HydrophobicContact CB-CG 3.62Å; H18-Y28 AromaticContact CD2-CD2 3.39Å; H18-Y28 WeakPolarHBondContact CD2-CD2 3.41Å; H18-Y28 AromaticContact CD2-CE2 3.43Å; H18-Y28 VanDerWaalsContact CD2-CE2 3.43Å; H18-Y28 WeakPolarHBondContact CD2-CE2 3.46Å; H18-Y28 AromaticContact CD2-CG 3.74Å; H18-Y28 AromaticContact CD2-CZ 3.81Å; H18-Y28 AromaticContact CE1-CD2 3.66Å; H18-Y28 AromaticContact CG-CD1 3.98Å; H18-Y28 AromaticContact CG-CD2 3.53Å; H18-Y28 AromaticContact CG-CG 3.49Å; H18-Y28 VanDerWaalsContact CG-CG 3.49Å; H18-Y28 AromaticContact ND1-CD2 3.69Å; H18-Y28 AromaticContact ND1-CG 3.88Å; H18-Y28 AromaticContact NE2-CD2 3.47Å; H18-Y28 WeakPolarHBondContact NE2-CD2 3.38Å; H18-Y28 AromaticContact NE2-CE2 3.49Å; H18-Y28 WeakPolarHBondContact NE2-CE2 3.5Å
19Y95.6Very high94.9Very high19 Ų1964 Ų648%0.07532%0.319CS..G310 helixtrans-93.28.5-178.8-65-94.1000113.5H10 L15 G16 H17 N21 M25 Y28 E29 I39H10-Y19 HydrophobicContact CB-CD1 3.49Å; H10-Y19 VanDerWaalsContact CB-CD1 3.49Å; H10-Y19 HydrophobicContact CB-CD2 3.97Å; H10-Y19 HydrophobicContact CB-CE1 3.5Å; H10-Y19 HydrophobicContact CB-CE2 3.99Å; H10-Y19 HydrophobicContact CB-CG 3.74Å; H10-Y19 AromaticContact CD2-CE1 3.9Å; H10-Y19 AromaticContact CG-CE1 3.63Å; H10-Y19 AromaticContact CG-CZ 3.75Å; H10-Y19 AromaticContact ND1-CZ 3.93Å; L15-Y19 HydrophobicContact CB-CE2 4.38Å; L15-Y19 WeakPolarHBondContact O-CD2 3.5Å; G16-Y19 CarbonylContact O-C 3.56Å; G16-Y19 WeakPolarHBondContact O-CA 3.4Å; G16-Y19 PolarHBondContact O-N 2.93Å; H17-Y19 VanDerWaalsContact C-N 3.3Å; Y19-N21 PolarHBondContact O-N 3.45Å; Y19-M25 HydrophobicContact CD1-CB 4.22Å; Y19-M25 HydrophobicContact CD1-CG 3.44Å; Y19-M25 VanDerWaalsContact CD1-CG 3.44Å; Y19-M25 HydrophobicContact CD1-SD 3.63Å; Y19-M25 HydrophobicContact CE1-CG 3.62Å; Y19-M25 HydrophobicContact CE1-SD 3.97Å; Y19-M25 HydrophobicContact CG-CG 4.35Å; Y19-Y28 HydrophobicContact CE2-CD1 4.4Å; Y19-Y28 HydrophobicContact CE2-CE1 4.31Å; Y19-E29 PolarHBondContact OH-OE1 2.91Å; Y19-E29 VanDerWaalsContact OH-OE1 3.05Å; Y19-I39 WeakPolarHBondContact OH-CD1 3.39Å
20A95.2Very high95Very high69 Ų6964.6 Ų64.657%0.5733%0.326SS*.SBendtrans-60.5-30.9-177.600000113.7G16 H17G16-A20 PolarHBondContact O-N 3.16Å; H17-A20 WeakPolarHBondContact O-CB 3.47Å
21N96.4Very high95.1Very high83 Ų8370.9 Ų70.944%0.44436%0.355SS..SBendtrans-147.8168.5170.962.670.2000111Y19 Q23 S24 M25Y19-N21 PolarHBondContact O-N 3.45Å; N21-Q23 VanDerWaalsContact C-N 3.31Å; N21-Q23 PolarHBondContact O-N 3.43Å; N21-Q23 WeakPolarHBondContact OD1-CB 3.25Å; N21-Q23 PolarHBondContact OD1-N 3.38Å; N21-Q23 VanDerWaalsContact OD1-N 3.1Å; N21-S24 PolarHBondContact N-OG 3.31Å; N21-S24 PolarHBondContact O-N 2.91Å; N21-S24 PolarHBondContact O-OG 3.26Å; N21-S24 PolarHBondContact OD1-N 2.91Å; N21-S24 PolarHBondContact OD1-OG 2.99Å; N21-M25 WeakPolarHBondContact O-CB 3.4Å; N21-M25 PolarHBondContact O-N 3.37Å
22V97.1Very high95.1Very high39 Ų3968.9 Ų68.924%0.23635%0.352CS..Hα-helixtrans-60.3-41.1-177.3179.40000111.7M25 L26 L49 V142 L145V22-M25 PolarHBondContact O-N 3.15Å; V22-L26 HydrophobicContact CG1-CD1 3.76Å; V22-L26 HydrophobicContact CG1-CG 4.16Å; V22-L26 WeakPolarHBondContact O-CB 3.49Å; V22-L26 VanDerWaalsContact O-CG 3.28Å; V22-L26 WeakPolarHBondContact O-CG 3.34Å; V22-L26 PolarHBondContact O-N 2.99Å; V22-L49 HydrophobicContact CB-CD2 4.24Å; V22-L49 HydrophobicContact CG1-CD2 3.62Å; V22-L49 HydrophobicContact CG2-CD2 3.7Å; V22-V142 HydrophobicContact CG1-CG1 4.36Å; V22-V142 HydrophobicContact CG2-CG2 4.4Å; V22-L145 HydrophobicContact CB-CD1 4.07Å; V22-L145 HydrophobicContact CG1-CD1 3.75Å
23Q97.1Very high95Very high125 Ų12563.5 Ų63.558%0.58435%0.346SS*.Hα-helixtrans-66.4-45.4-177.3-172.8-178.621.200111.9N21 M25 R27 L145N21-Q23 VanDerWaalsContact C-N 3.31Å; N21-Q23 PolarHBondContact O-N 3.43Å; N21-Q23 WeakPolarHBondContact OD1-CB 3.25Å; N21-Q23 PolarHBondContact OD1-N 3.38Å; N21-Q23 VanDerWaalsContact OD1-N 3.1Å; Q23-M25 VanDerWaalsContact C-N 3.32Å; Q23-R27 VanDerWaalsContact O-CB 3.3Å; Q23-R27 WeakPolarHBondContact O-CB 3.19Å; Q23-R27 PolarHBondContact O-N 3.09Å; Q23-L145 HydrophobicContact CB-CD1 4.28Å; Q23-L145 HydrophobicContact CB-CD2 4.35Å; Q23-L145 HydrophobicContact CG-CD2 4.21Å
24S96.8Very high95.1Very high15 Ų1563.1 Ų63.111%0.10534%0.34CS..Hα-helixtrans-65.2-38.5177.763.70000111.5H18 N21 Y28H18-S24 CarbonylContact O-C 3.32Å; H18-S24 WeakPolarHBondContact O-CB 3.43Å; H18-S24 PolarHBondContact O-OG 3.04Å; N21-S24 PolarHBondContact N-OG 3.31Å; N21-S24 PolarHBondContact O-N 2.91Å; N21-S24 PolarHBondContact O-OG 3.26Å; N21-S24 PolarHBondContact OD1-N 2.91Å; N21-S24 PolarHBondContact OD1-OG 2.99Å; S24-Y28 VanDerWaalsContact O-CB 3.31Å; S24-Y28 WeakPolarHBondContact O-CB 3.45Å; S24-Y28 PolarHBondContact O-N 3.27Å
25M97.3Very high95Very high8 Ų854.3 Ų54.34%0.03930%0.299CS..Hα-helixtrans-64.1-54179.1179.3-173.475.700111L7 H18 Y19 N21 V22 Q23 R27 Y28 E29 L49L7-M25 HydrophobicContact CD2-SD 4.24Å; H18-M25 WeakPolarHBondContact O-CA 3.47Å; H18-M25 PolarHBondContact O-N 3.44Å; Y19-M25 HydrophobicContact CD1-CB 4.22Å; Y19-M25 HydrophobicContact CD1-CG 3.44Å; Y19-M25 VanDerWaalsContact CD1-CG 3.44Å; Y19-M25 HydrophobicContact CD1-SD 3.63Å; Y19-M25 HydrophobicContact CE1-CG 3.62Å; Y19-M25 HydrophobicContact CE1-SD 3.97Å; Y19-M25 HydrophobicContact CG-CG 4.35Å; N21-M25 WeakPolarHBondContact O-CB 3.4Å; N21-M25 PolarHBondContact O-N 3.37Å; V22-M25 PolarHBondContact O-N 3.15Å; Q23-M25 VanDerWaalsContact C-N 3.32Å; M25-R27 VanDerWaalsContact C-N 3.3Å; M25-R27 PolarHBondContact O-N 3.31Å; M25-Y28 PolarHBondContact O-N 3.42Å; M25-E29 PolarHBondContact O-N 3.49Å; M25-L49 HydrophobicContact CE-CB 4.05Å; M25-L49 HydrophobicContact CE-CD2 3.56Å; M25-L49 HydrophobicContact CE-CG 4.46Å
26L96.9Very high94.8Very high2 Ų257.2 Ų57.21%0.0131%0.311CS..Hα-helixtrans-60.5-42.1-179.4-68.5174.7000111V22 V30 S46 L145 Y146 L151V22-L26 HydrophobicContact CG1-CD1 3.76Å; V22-L26 HydrophobicContact CG1-CG 4.16Å; V22-L26 WeakPolarHBondContact O-CB 3.49Å; V22-L26 VanDerWaalsContact O-CG 3.28Å; V22-L26 WeakPolarHBondContact O-CG 3.34Å; V22-L26 PolarHBondContact O-N 2.99Å; L26-V30 WeakPolarHBondContact O-CB 3.4Å; L26-V30 WeakPolarHBondContact O-CG2 3.22Å; L26-V30 PolarHBondContact O-N 3.27Å; L26-S46 WeakPolarHBondContact CD2-OG 3.39Å; L26-L145 HydrophobicContact CD1-CB 3.65Å; L26-Y146 HydrophobicContact CD1-CD2 4.39Å; L26-Y146 HydrophobicContact CD1-CE2 4.37Å; L26-Y146 HydrophobicContact CD2-CE1 3.96Å; L26-Y146 HydrophobicContact CD2-CE2 4.39Å; L26-L151 HydrophobicContact CB-CD1 4.37Å; L26-L151 HydrophobicContact CD2-CD1 3.58Å; L26-L151 HydrophobicContact CG-CD1 4.4Å
27R96.6Very high94.3Very high127 Ų12758.2 Ų58.248%0.47932%0.316SS..Hα-helixtrans-60.3-51.6176.7-179.8176.761.9-171.5-0.9111.4Q23 M25 E29 V30 E31Q23-R27 VanDerWaalsContact O-CB 3.3Å; Q23-R27 WeakPolarHBondContact O-CB 3.19Å; Q23-R27 PolarHBondContact O-N 3.09Å; M25-R27 VanDerWaalsContact C-N 3.3Å; M25-R27 PolarHBondContact O-N 3.31Å; R27-E29 PolarHBondContact O-N 3.43Å; R27-V30 PolarHBondContact O-N 2.97Å; R27-E31 WeakPolarHBondContact CD-OE1 3.46Å; R27-E31 HydrophobicContact CG-CG 4.38Å; R27-E31 WeakPolarHBondContact CG-OE1 3.3Å; R27-E31 WeakPolarHBondContact O-CB 3.44Å; R27-E31 WeakPolarHBondContact O-CG 3.27Å; R27-E31 PolarHBondContact O-N 3.27Å
28Y96.1Very high93.7Very high41 Ų4160.7 Ų60.716%0.16132%0.321CS..Hα-helixtrans-58.3-50.1-179.7168.3-109.7000112L15 H18 Y19 S24 M25 V30 E31 A32 L34L15-Y28 WeakPolarHBondContact CD1-OH 3.26Å; H18-Y28 HydrophobicContact CB-CD1 3.75Å; H18-Y28 HydrophobicContact CB-CD2 4.19Å; H18-Y28 HydrophobicContact CB-CE1 4.41Å; H18-Y28 HydrophobicContact CB-CG 3.62Å; H18-Y28 AromaticContact CD2-CD2 3.39Å; H18-Y28 WeakPolarHBondContact CD2-CD2 3.41Å; H18-Y28 AromaticContact CD2-CE2 3.43Å; H18-Y28 VanDerWaalsContact CD2-CE2 3.43Å; H18-Y28 WeakPolarHBondContact CD2-CE2 3.46Å; H18-Y28 AromaticContact CD2-CG 3.74Å; H18-Y28 AromaticContact CD2-CZ 3.81Å; H18-Y28 AromaticContact CE1-CD2 3.66Å; H18-Y28 AromaticContact CG-CD1 3.98Å; H18-Y28 AromaticContact CG-CD2 3.53Å; H18-Y28 AromaticContact CG-CG 3.49Å; H18-Y28 VanDerWaalsContact CG-CG 3.49Å; H18-Y28 AromaticContact ND1-CD2 3.69Å; H18-Y28 AromaticContact ND1-CG 3.88Å; H18-Y28 AromaticContact NE2-CD2 3.47Å; H18-Y28 WeakPolarHBondContact NE2-CD2 3.38Å; H18-Y28 AromaticContact NE2-CE2 3.49Å; H18-Y28 WeakPolarHBondContact NE2-CE2 3.5Å; Y19-Y28 HydrophobicContact CE2-CD1 4.4Å; Y19-Y28 HydrophobicContact CE2-CE1 4.31Å; S24-Y28 VanDerWaalsContact O-CB 3.31Å; S24-Y28 WeakPolarHBondContact O-CB 3.45Å; S24-Y28 PolarHBondContact O-N 3.27Å; M25-Y28 PolarHBondContact O-N 3.42Å; Y28-V30 VanDerWaalsContact C-N 3.32Å; Y28-V30 PolarHBondContact O-N 3.02Å; Y28-E31 PolarHBondContact O-N 2.94Å; Y28-A32 HydrophobicContact CE2-CB 4.22Å; Y28-A32 VanDerWaalsContact O-CB 3.25Å; Y28-A32 WeakPolarHBondContact O-CB 3.2Å; Y28-A32 PolarHBondContact O-N 3.37Å; Y28-L34 HydrophobicContact CE1-CD1 3.82Å
29E95.7Very high92.7Very high0 Ų059.4 Ų59.40%032%0.315CS..Hα-helixtrans-68.9-30.5-177.1-69-170.515900112.9Y19 M25 R27 G33 L34 V35 S44 G45 S46Y19-E29 PolarHBondContact OH-OE1 2.91Å; Y19-E29 VanDerWaalsContact OH-OE1 3.05Å; M25-E29 PolarHBondContact O-N 3.49Å; R27-E29 PolarHBondContact O-N 3.43Å; E29-G33 CarbonylContact O-C 3.59Å; E29-G33 PolarHBondContact O-N 3.4Å; E29-L34 HydrophobicContact CB-CB 4.23Å; E29-L34 HydrophobicContact CG-CB 4.31Å; E29-L34 PolarHBondContact O-N 3.11Å; E29-V35 HydrophobicContact CB-CG2 4.25Å; E29-V35 PolarHBondContact O-N 2.69Å; E29-S44 WeakPolarHBondContact OE1-CB 3.49Å; E29-S44 WeakPolarHBondContact OE2-CB 3.48Å; E29-G45 WeakPolarHBondContact OE1-CA 3.49Å; E29-G45 PolarHBondContact OE1-N 3.3Å; E29-G45 PolarHBondContact OE2-N 3.47Å; E29-S46 WeakPolarHBondContact OE2-CA 3.38Å; E29-S46 WeakPolarHBondContact OE2-CB 3.27Å; E29-S46 PolarHBondContact OE2-N 2.89Å; E29-S46 PolarHBondContact OE2-OG 3.2Å
30V95.3Very high91.7Very high59 Ų5963.2 Ų63.236%0.35834%0.344SS..Hα-helixtrans-68-50.3172.3168.80000110.7L26 R27 Y28 A32 G33 V35 K149 L151L26-V30 WeakPolarHBondContact O-CB 3.4Å; L26-V30 WeakPolarHBondContact O-CG2 3.22Å; L26-V30 PolarHBondContact O-N 3.27Å; R27-V30 PolarHBondContact O-N 2.97Å; Y28-V30 VanDerWaalsContact C-N 3.32Å; Y28-V30 PolarHBondContact O-N 3.02Å; V30-A32 VanDerWaalsContact C-N 3.31Å; V30-A32 PolarHBondContact O-N 3.46Å; V30-G33 PolarHBondContact O-N 2.93Å; V30-G33 VanDerWaalsContact O-N 3.16Å; V30-V35 HydrophobicContact CB-CG2 4.44Å; V30-V35 HydrophobicContact CG2-CG2 3.74Å; V30-K149 HydrophobicContact CG2-CB 4.49Å; V30-L151 HydrophobicContact CG2-CD1 3.96Å; V30-L151 HydrophobicContact CG2-CD2 4.12Å; V30-L151 HydrophobicContact CG2-CG 4.5Å
31E95.1Very high91Very high143 Ų14365.1 Ų65.167%0.66835%0.353SS*.Hα-helixtrans-64-35.9-178.6-72.9169.4-173.400112.2R27 Y28 G33R27-E31 WeakPolarHBondContact CD-OE1 3.46Å; R27-E31 HydrophobicContact CG-CG 4.38Å; R27-E31 WeakPolarHBondContact CG-OE1 3.3Å; R27-E31 WeakPolarHBondContact O-CB 3.44Å; R27-E31 WeakPolarHBondContact O-CG 3.27Å; R27-E31 PolarHBondContact O-N 3.27Å; Y28-E31 PolarHBondContact O-N 2.94Å; E31-G33 VanDerWaalsContact C-N 3.35Å
32A93.6Very high90.5Very high51 Ų5164.6 Ų64.642%0.42135%0.345SS..THydrogen-bonded Turntrans-85.6-1.5177.600000114Y28 V30 L34Y28-A32 HydrophobicContact CE2-CB 4.22Å; Y28-A32 VanDerWaalsContact O-CB 3.25Å; Y28-A32 WeakPolarHBondContact O-CB 3.2Å; Y28-A32 PolarHBondContact O-N 3.37Å; V30-A32 VanDerWaalsContact C-N 3.31Å; V30-A32 PolarHBondContact O-N 3.46Å; A32-L34 VanDerWaalsContact C-N 3.26Å; A32-L34 HydrophobicContact CB-CD1 3.74Å; A32-L34 HydrophobicContact CB-CG 3.72Å; A32-L34 PolarHBondContact O-N 3.41Å
33G93.1Very high90.2Very high60 Ų6063.3 Ų63.362%0.61934%0.337SS*.THydrogen-bonded Turntrans66.822.8-177.800000114.5E29 V30 E31E29-G33 CarbonylContact O-C 3.59Å; E29-G33 PolarHBondContact O-N 3.4Å; V30-G33 PolarHBondContact O-N 2.93Å; V30-G33 VanDerWaalsContact O-N 3.16Å; E31-G33 VanDerWaalsContact C-N 3.35Å
34L92.9Very high90.1Very high40 Ų4057.3 Ų57.321%0.20931%0.309CS..  trans-91.6-7.9-172.9-61.3176.1000114.2Y28 E29 A32 H36 S37 I39 S44Y28-L34 HydrophobicContact CE1-CD1 3.82Å; E29-L34 HydrophobicContact CB-CB 4.23Å; E29-L34 HydrophobicContact CG-CB 4.31Å; E29-L34 PolarHBondContact O-N 3.11Å; A32-L34 VanDerWaalsContact C-N 3.26Å; A32-L34 HydrophobicContact CB-CD1 3.74Å; A32-L34 HydrophobicContact CB-CG 3.72Å; A32-L34 PolarHBondContact O-N 3.41Å; L34-H36 VanDerWaalsContact C-N 3.32Å; L34-H36 PolarHBondContact O-N 3.49Å; L34-S37 VanDerWaalsContact CA-OG 3.26Å; L34-S37 WeakPolarHBondContact CA-OG 3.47Å; L34-S37 WeakPolarHBondContact O-CB 3.2Å; L34-S37 PolarHBondContact O-N 3.26Å; L34-S37 PolarHBondContact O-OG 3.43Å; L34-I39 HydrophobicContact CB-CD1 4.04Å; L34-I39 HydrophobicContact CB-CG1 4.36Å; L34-I39 HydrophobicContact CD1-CD1 3.97Å; L34-I39 HydrophobicContact CD1-CG1 4.41Å; L34-I39 HydrophobicContact CD2-CG1 4.44Å; L34-I39 HydrophobicContact CG-CD1 4.49Å; L34-S44 WeakPolarHBondContact O-CB 3.37Å
35V90.4Very high90Very high9 Ų956.6 Ų56.66%0.05530%0.304CS..THydrogen-bonded Turntrans-49.7-47.4-175.2174.80000113.4E29 V30 S44 L151 I154E29-V35 HydrophobicContact CB-CG2 4.25Å; E29-V35 PolarHBondContact O-N 2.69Å; V30-V35 HydrophobicContact CB-CG2 4.44Å; V30-V35 HydrophobicContact CG2-CG2 3.74Å; V35-S44 WeakPolarHBondContact O-CB 3.38Å; V35-S44 PolarHBondContact O-OG 3Å; V35-L151 HydrophobicContact CG1-CD2 3.74Å; V35-L151 HydrophobicContact CG2-CD2 4.06Å; V35-I154 HydrophobicContact CG1-CD1 3.45Å; V35-I154 VanDerWaalsContact CG1-CD1 3.45Å; V35-I154 HydrophobicContact CG1-CG1 3.62Å
36H85.9Confident89.9Confident125 Ų12556.2 Ų56.258%0.57930%0.302SS*.THydrogen-bonded Turntrans-97.310.7-178.5-60.193.5000112.7L34L34-H36 VanDerWaalsContact C-N 3.32Å; L34-H36 PolarHBondContact O-N 3.49Å
37S83.7Confident89.8Confident30 Ų3056.6 Ų56.621%0.2130%0.304CS..SBendtrans-96.4162.9-173.379.40000112.1L34 S44L34-S37 VanDerWaalsContact CA-OG 3.26Å; L34-S37 WeakPolarHBondContact CA-OG 3.47Å; L34-S37 WeakPolarHBondContact O-CB 3.2Å; L34-S37 PolarHBondContact O-N 3.26Å; L34-S37 PolarHBondContact O-OG 3.43Å; S37-S44 PolarHBondContact O-N 3.19Å
38W80.5Confident89.7Confident176 Ų17650.7 Ų50.767%0.66728%0.282SS*.EExtended strand (participates in β ladder)trans-101.3107.9166-6678.5000107.8R42 P43W38-R42 CarbonylContact C-O 3.1Å; W38-R42 VanDerWaalsContact C-O 3.32Å; W38-R42 WeakPolarHBondContact CA-O 3.48Å; W38-P43 HydrophobicContact CE3-CG 4.08Å; W38-P43 HydrophobicContact CH2-CG 3.97Å; W38-P43 HydrophobicContact CZ3-CG 3.63Å
39I75.6Confident89.8Confident26 Ų2650.1 Ų50.113%0.13328%0.281CS..EExtended strand (participates in β ladder)trans-86.8113.8178.2-53.1171.4000107.1Y19 L34 S41 R42Y19-I39 WeakPolarHBondContact OH-CD1 3.39Å; L34-I39 HydrophobicContact CB-CD1 4.04Å; L34-I39 HydrophobicContact CB-CG1 4.36Å; L34-I39 HydrophobicContact CD1-CD1 3.97Å; L34-I39 HydrophobicContact CD1-CG1 4.41Å; L34-I39 HydrophobicContact CD2-CG1 4.44Å; L34-I39 HydrophobicContact CG-CD1 4.49Å; I39-S41 VanDerWaalsContact C-N 3.31Å; I39-S41 PolarHBondContact O-N 2.99Å; I39-R42 PolarHBondContact N-O 3.48Å; I39-R42 WeakPolarHBondContact O-CB 3.28Å; I39-R42 PolarHBondContact O-N 3.25Å
40C75.1Confident89.8Confident99 Ų9950.2 Ų50.267%0.66928%0.282SS*.THydrogen-bonded Turntrans50.349.4-178.1-56.90000112.7R42C40-R42 PolarHBondContact O-N 2.86Å; C40-R42 PolarHBondContact O-NH1 2.91Å
41S80.8Confident89.8Confident109 Ų10951.5 Ų51.576%0.76228%0.28SS*.THydrogen-bonded Turntrans63.118.8-178.9-51.10000115.3I39I39-S41 VanDerWaalsContact C-N 3.31Å; I39-S41 PolarHBondContact O-N 2.99Å
42R85.8Confident89.9Confident73 Ų7347.2 Ų47.228%0.27526%0.262SS..EExtended strand (participates in β ladder)trans-122.4147.7175.7-62.2168.9-179.387.8-12110.1M1 I6 E9 W38 I39 C40M1-R42 HydrophobicContact SD-CG 4.42Å; I6-R42 HydrophobicContact CG2-CB 4.35Å; E9-R42 VanDerWaalsContact CD-NE 3.27Å; E9-R42 IonicContact OE1-CZ 3.57Å; E9-R42 IonicContact OE1-NE 3.43Å; E9-R42 IonicContact OE1-NH2 3.56Å; E9-R42 PolarHBondContact OE1-NH2 3.48Å; E9-R42 WeakPolarHBondContact OE2-CD 3.43Å; E9-R42 IonicContact OE2-CZ 2.85Å; E9-R42 IonicContact OE2-NE 3.06Å; E9-R42 PolarHBondContact OE2-NE 3.32Å; E9-R42 IonicContact OE2-NH2 3.76Å; W38-R42 CarbonylContact C-O 3.1Å; W38-R42 VanDerWaalsContact C-O 3.32Å; W38-R42 WeakPolarHBondContact CA-O 3.48Å; I39-R42 PolarHBondContact N-O 3.48Å; I39-R42 WeakPolarHBondContact O-CB 3.28Å; I39-R42 PolarHBondContact O-N 3.25Å; C40-R42 PolarHBondContact O-N 2.86Å; C40-R42 PolarHBondContact O-NH1 2.91Å
43P90.7Very high90Very high11 Ų1145.1 Ų45.17%0.07124%0.243CC..EExtended strand (participates in β ladder)trans-58.1151.1171.4-1830.3000110.8I6 H10 W38 M47I6-P43 HydrophobicContact CD1-CG 4.46Å; H10-P43 PolarHBondContact NE2-O 3.12Å; H10-P43 VanDerWaalsContact NE2-O 3.07Å; W38-P43 HydrophobicContact CE3-CG 4.08Å; W38-P43 HydrophobicContact CH2-CG 3.97Å; W38-P43 HydrophobicContact CZ3-CG 3.63Å; P43-M47 HydrophobicContact CB-CB 4.47Å; P43-M47 HydrophobicContact CB-CG 4.49Å; P43-M47 HydrophobicContact CB-SD 3.92Å
44S93.5Very high90.2Very high0 Ų043.3 Ų43.30%022%0.218CC..  trans-51.8152.8169.670.50000111.8E29 L34 V35 S37 S46 M47 T48E29-S44 WeakPolarHBondContact OE1-CB 3.49Å; E29-S44 WeakPolarHBondContact OE2-CB 3.48Å; L34-S44 WeakPolarHBondContact O-CB 3.37Å; V35-S44 WeakPolarHBondContact O-CB 3.38Å; V35-S44 PolarHBondContact O-OG 3Å; S37-S44 PolarHBondContact O-N 3.19Å; S44-S46 VanDerWaalsContact C-N 3.27Å; S44-S46 PolarHBondContact O-N 3.28Å; S44-M47 PolarHBondContact O-N 3.38Å; S44-M47 VanDerWaalsContact OG-CB 3.22Å; S44-M47 WeakPolarHBondContact OG-CB 3.38Å; S44-M47 PolarHBondContact OG-N 3.35Å; S44-M47 VanDerWaalsContact OG-N 3.13Å; S44-T48 WeakPolarHBondContact O-CB 2.83Å; S44-T48 PolarHBondContact O-N 2.93Å; S44-T48 PolarHBondContact O-OG1 3.49Å
45G95Very high90.4Very high0 Ų043 Ų430%022%0.221CC..Hα-helixtrans-58.2-41172.800000111.6E29 M47 T48 L49E29-G45 WeakPolarHBondContact OE1-CA 3.49Å; E29-G45 PolarHBondContact OE1-N 3.3Å; E29-G45 PolarHBondContact OE2-N 3.47Å; G45-M47 PolarHBondContact O-N 3.21Å; G45-T48 PolarHBondContact O-N 3.4Å; G45-L49 VanDerWaalsContact O-CB 3.24Å; G45-L49 WeakPolarHBondContact O-CB 3.44Å; G45-L49 PolarHBondContact O-N 3.37Å
46S95.6Very high90.7Very high0 Ų044.9 Ų44.90%023%0.231CC..Hα-helixtrans-60.2-46.3177.4-58.30000112.1L26 E29 S44 L50 Y146L26-S46 WeakPolarHBondContact CD2-OG 3.39Å; E29-S46 WeakPolarHBondContact OE2-CA 3.38Å; E29-S46 WeakPolarHBondContact OE2-CB 3.27Å; E29-S46 PolarHBondContact OE2-N 2.89Å; E29-S46 PolarHBondContact OE2-OG 3.2Å; S44-S46 VanDerWaalsContact C-N 3.27Å; S44-S46 PolarHBondContact O-N 3.28Å; S46-L50 VanDerWaalsContact O-CB 3.31Å; S46-L50 WeakPolarHBondContact O-CB 3.23Å; S46-L50 PolarHBondContact O-N 3.01Å; S46-Y146 PolarHBondContact O-OH 3.35Å
47M94.5Very high91.3Very high10 Ų1042.1 Ų42.15%0.04922%0.218CC..Hα-helixtrans-66.1-42.4177-173.8-176.4-41.100111.7P43 S44 G45 L50 R51 I154 P155P43-M47 HydrophobicContact CB-CB 4.47Å; P43-M47 HydrophobicContact CB-CG 4.49Å; P43-M47 HydrophobicContact CB-SD 3.92Å; S44-M47 PolarHBondContact O-N 3.38Å; S44-M47 VanDerWaalsContact OG-CB 3.22Å; S44-M47 WeakPolarHBondContact OG-CB 3.38Å; S44-M47 PolarHBondContact OG-N 3.35Å; S44-M47 VanDerWaalsContact OG-N 3.13Å; G45-M47 PolarHBondContact O-N 3.21Å; M47-L50 PolarHBondContact O-N 2.98Å; M47-R51 PolarHBondContact O-N 2.87Å; M47-I154 HydrophobicContact CB-CG2 3.75Å; M47-I154 HydrophobicContact CE-CG2 4.06Å; M47-I154 HydrophobicContact CG-CG2 3.68Å; M47-I154 HydrophobicContact SD-CG2 4.49Å; M47-P155 WeakPolarHBondContact CG-O 3.46Å
48T95.4Very high92Very high2 Ų242.7 Ų42.71%0.01222%0.217CC..Hα-helixtrans-65.5-48.4-178.4-60.40000111.3K3 I6 L7 S44 G45 L50 R51 L52K3-T48 HydrophobicContact CB-CG2 3.68Å; K3-T48 HydrophobicContact CG-CG2 4.07Å; K3-T48 WeakPolarHBondContact O-CG2 3.49Å; I6-T48 HydrophobicContact CB-CG2 3.99Å; I6-T48 HydrophobicContact CD1-CG2 4.4Å; I6-T48 HydrophobicContact CG2-CG2 3.99Å; L7-T48 HydrophobicContact CD1-CG2 4.49Å; L7-T48 HydrophobicContact CD2-CG2 4.18Å; L7-T48 HydrophobicContact CG-CG2 3.9Å; S44-T48 WeakPolarHBondContact O-CB 2.83Å; S44-T48 PolarHBondContact O-N 2.93Å; S44-T48 PolarHBondContact O-OG1 3.49Å; G45-T48 PolarHBondContact O-N 3.4Å; T48-L50 VanDerWaalsContact C-N 3.34Å; T48-R51 PolarHBondContact O-N 3.05Å; T48-L52 PolarHBondContact O-N 3.11Å
49L96.8Very high92.7Very high29 Ų2937.3 Ų37.315%0.15220%0.203CC..Hα-helixtrans-65.5-36.6178.5178.266.9000111.2L7 V22 M25 G45 R51 L52 H53 V142 Y146L7-L49 HydrophobicContact CD1-CB 4.27Å; L7-L49 HydrophobicContact CD1-CD1 4.16Å; L7-L49 HydrophobicContact CD2-CB 4.35Å; V22-L49 HydrophobicContact CB-CD2 4.24Å; V22-L49 HydrophobicContact CG1-CD2 3.62Å; V22-L49 HydrophobicContact CG2-CD2 3.7Å; M25-L49 HydrophobicContact CE-CB 4.05Å; M25-L49 HydrophobicContact CE-CD2 3.56Å; M25-L49 HydrophobicContact CE-CG 4.46Å; G45-L49 VanDerWaalsContact O-CB 3.24Å; G45-L49 WeakPolarHBondContact O-CB 3.44Å; G45-L49 PolarHBondContact O-N 3.37Å; L49-R51 VanDerWaalsContact C-N 3.26Å; L49-R51 PolarHBondContact O-N 3.45Å; L49-L52 CarbonylContact O-C 3.57Å; L49-L52 WeakPolarHBondContact O-CB 3.26Å; L49-L52 PolarHBondContact O-N 3.25Å; L49-H53 VanDerWaalsContact O-CB 3.31Å; L49-H53 WeakPolarHBondContact O-CB 3.41Å; L49-H53 PolarHBondContact O-N 2.72Å; L49-V142 HydrophobicContact CD2-CG1 4.5Å; L49-Y146 VanDerWaalsContact CB-OH 3.31Å; L49-Y146 WeakPolarHBondContact CB-OH 3.38Å; L49-Y146 HydrophobicContact CD2-CE2 4.23Å; L49-Y146 HydrophobicContact CG-CE2 4.4Å
50L96.8Very high93.8Very high2 Ų236.4 Ų36.41%0.0120%0.2CC..Hα-helixtrans-59.5-38.8179.1-178.659.1000112S46 M47 T48 H53 R54 Y146 L151 I154S46-L50 VanDerWaalsContact O-CB 3.31Å; S46-L50 WeakPolarHBondContact O-CB 3.23Å; S46-L50 PolarHBondContact O-N 3.01Å; M47-L50 PolarHBondContact O-N 2.98Å; T48-L50 VanDerWaalsContact C-N 3.34Å; L50-H53 WeakPolarHBondContact O-CB 3.45Å; L50-H53 PolarHBondContact O-N 3Å; L50-R54 VanDerWaalsContact O-CG 3.29Å; L50-R54 WeakPolarHBondContact O-CG 3.49Å; L50-R54 PolarHBondContact O-N 3.46Å; L50-Y146 HydrophobicContact CB-CD1 4.5Å; L50-Y146 HydrophobicContact CB-CE1 3.7Å; L50-Y146 HydrophobicContact CD1-CD1 3.82Å; L50-Y146 HydrophobicContact CD1-CE1 3.86Å; L50-Y146 HydrophobicContact CD1-CG 4.27Å; L50-Y146 HydrophobicContact CD2-CE1 4.4Å; L50-Y146 HydrophobicContact CG-CE1 4.18Å; L50-Y146 PolarHBondContact N-OH 3.08Å; L50-L151 WeakPolarHBondContact CD2-O 3.34Å; L50-I154 HydrophobicContact CD2-CB 3.81Å; L50-I154 HydrophobicContact CD2-CD1 4.35Å; L50-I154 HydrophobicContact CD2-CG1 4.41Å
51R95.3Very high94.8Very high86 Ų8633.5 Ų33.533%0.32518%0.18SC..Hα-helixtrans-70.1-35.7177.3-64171.5-178.2175-1.2112K3 M47 T48 L49 A55 P155K3-R51 HydrophobicContact CD-CB 3.85Å; K3-R51 VanDerWaalsContact CE-CB 3.46Å; K3-R51 VanDerWaalsContact CE-CD 3.46Å; M47-R51 PolarHBondContact O-N 2.87Å; T48-R51 PolarHBondContact O-N 3.05Å; L49-R51 VanDerWaalsContact C-N 3.26Å; L49-R51 PolarHBondContact O-N 3.45Å; R51-A55 WeakPolarHBondContact O-CB 3.23Å; R51-A55 PolarHBondContact O-N 3.2Å; R51-P155 PolarHBondContact NE-O 3.29Å; R51-P155 PolarHBondContact NH2-O 2.96Å; R51-P155 PolarHBondContact NH2-OXT 3.06Å
52L96.6Very high95.6Very high53 Ų5329.7 Ų29.728%0.27715%0.15SC..Hα-helixtrans-68.8-41173.1-71.3172.7000111.5K3 L7 T48 L49 A55 L56K3-L52 HydrophobicContact CB-CD1 3.9Å; K3-L52 HydrophobicContact CB-CD2 3.91Å; K3-L52 HydrophobicContact CB-CG 3.87Å; K3-L52 HydrophobicContact CD-CD2 4.23Å; K3-L52 HydrophobicContact CD-CG 4.1Å; L7-L52 HydrophobicContact CD1-CD1 3.67Å; T48-L52 PolarHBondContact O-N 3.11Å; L49-L52 CarbonylContact O-C 3.57Å; L49-L52 WeakPolarHBondContact O-CB 3.26Å; L49-L52 PolarHBondContact O-N 3.25Å; L52-A55 CarbonylContact O-C 3.52Å; L52-A55 WeakPolarHBondContact O-CB 3.38Å; L52-A55 PolarHBondContact O-N 3.5Å; L52-A55 VanDerWaalsContact O-N 3.12Å; L52-L56 PolarHBondContact O-N 2.87Å
53H97.2Very high96.1Very high8 Ų827.9 Ų27.94%0.03715%0.145CC..Hα-helixtrans-57.9-48.9175.4175.461.7000111.8L49 L50 A55 L56 Q57 F139 V142 D143L49-H53 VanDerWaalsContact O-CB 3.31Å; L49-H53 WeakPolarHBondContact O-CB 3.41Å; L49-H53 PolarHBondContact O-N 2.72Å; L50-H53 WeakPolarHBondContact O-CB 3.45Å; L50-H53 PolarHBondContact O-N 3Å; H53-A55 VanDerWaalsContact C-N 3.29Å; H53-A55 PolarHBondContact O-N 3.29Å; H53-L56 WeakPolarHBondContact O-CB 3.49Å; H53-L56 PolarHBondContact O-N 3.35Å; H53-Q57 PolarHBondContact O-N 3.22Å; H53-F139 AromaticContact CD2-CE2 3.83Å; H53-F139 AromaticContact CE1-CD2 3.04Å; H53-F139 WeakPolarHBondContact CE1-CD2 3.4Å; H53-F139 AromaticContact CE1-CE2 3.11Å; H53-F139 WeakPolarHBondContact CE1-CE2 3.33Å; H53-F139 AromaticContact CE1-CG 3.54Å; H53-F139 AromaticContact CE1-CZ 3.68Å; H53-F139 PolarHBondContact CE1-O 3.49Å; H53-F139 AromaticContact ND1-CD2 3.37Å; H53-F139 WeakPolarHBondContact ND1-CD2 3.46Å; H53-F139 AromaticContact ND1-CE2 3.65Å; H53-F139 AromaticContact NE2-CD2 3.71Å; H53-F139 AromaticContact NE2-CE2 3.23Å; H53-F139 WeakPolarHBondContact NE2-CE2 3.45Å; H53-F139 AromaticContact NE2-CZ 3.55Å; H53-V142 HydrophobicContact CB-CG1 4.48Å; H53-D143 IonicContact CD2-OD1 3.73Å; H53-D143 IonicContact CE1-OD1 4Å; H53-D143 IonicContact NE2-OD1 2.72Å; H53-D143 PolarHBondContact NE2-OD1 3.38Å
54R96.9Very high96.4Very high21 Ų2129.4 Ų29.48%0.07915%0.152CC..Hα-helixtrans-60.8-37.3173.5-68.6166176.3165.31112.3L50 Q57 F58 L86 Y89 H152L50-R54 VanDerWaalsContact O-CG 3.29Å; L50-R54 WeakPolarHBondContact O-CG 3.49Å; L50-R54 PolarHBondContact O-N 3.46Å; R54-Q57 WeakPolarHBondContact O-CB 3.46Å; R54-F58 PolarHBondContact O-N 3.39Å; R54-L86 HydrophobicContact CB-CD2 3.8Å; R54-L86 WeakPolarHBondContact O-CD2 3.35Å; R54-Y89 HydrophobicContact CB-CD2 4.26Å; R54-Y89 HydrophobicContact CB-CE2 4.18Å; R54-Y89 HydrophobicContact CG-CD2 4.01Å; R54-Y89 HydrophobicContact CG-CE2 3.69Å; R54-Y89 VanDerWaalsContact CZ-CD1 3.44Å; R54-Y89 VanDerWaalsContact NE-CE1 3.29Å; R54-H152 PolarHBondContact NH2-O 2.67Å
55A96.6Very high96.5Very high34 Ų3431 Ų3128%0.28116%0.164SC..Hα-helixtrans-70.6-36.5177.100000112.7R51 L52 H53 Q57 F58 V59R51-A55 WeakPolarHBondContact O-CB 3.23Å; R51-A55 PolarHBondContact O-N 3.2Å; L52-A55 CarbonylContact O-C 3.52Å; L52-A55 WeakPolarHBondContact O-CB 3.38Å; L52-A55 PolarHBondContact O-N 3.5Å; L52-A55 VanDerWaalsContact O-N 3.12Å; H53-A55 VanDerWaalsContact C-N 3.29Å; H53-A55 PolarHBondContact O-N 3.29Å; A55-Q57 VanDerWaalsContact C-N 3.28Å; A55-Q57 PolarHBondContact O-N 3.41Å; A55-F58 WeakPolarHBondContact O-CB 3.45Å; A55-F58 PolarHBondContact O-N 3.34Å; A55-V59 WeakPolarHBondContact O-CG2 3.48Å; A55-V59 PolarHBondContact O-N 3.42Å
56L97.6Very high96.4Very high49 Ų4931.1 Ų31.126%0.25717%0.165SC..Hα-helixtrans-58.5-41.6174.5-17865.1000111.1L52 H53 F58 V59 A60 C135 V138 F139L52-L56 PolarHBondContact O-N 2.87Å; H53-L56 WeakPolarHBondContact O-CB 3.49Å; H53-L56 PolarHBondContact O-N 3.35Å; L56-F58 VanDerWaalsContact C-N 3.34Å; L56-F58 PolarHBondContact O-N 3.3Å; L56-V59 PolarHBondContact O-N 2.94Å; L56-A60 WeakPolarHBondContact O-CB 3.19Å; L56-A60 PolarHBondContact O-N 2.91Å; L56-C135 HydrophobicContact CD1-CB 3.97Å; L56-C135 HydrophobicContact CG-CB 4.4Å; L56-V138 HydrophobicContact CD2-CG1 4.14Å; L56-F139 HydrophobicContact CD2-CB 4.39Å
57Q97.4Very high96.3Very high67 Ų6733.4 Ų33.431%0.31317%0.174SC..Hα-helixtrans-58.1-45.7175.8-159.8-179.522.600112.4H53 R54 A55 S61 T85 F139H53-Q57 PolarHBondContact O-N 3.22Å; R54-Q57 WeakPolarHBondContact O-CB 3.46Å; A55-Q57 VanDerWaalsContact C-N 3.28Å; A55-Q57 PolarHBondContact O-N 3.41Å; Q57-S61 VanDerWaalsContact O-CB 3.27Å; Q57-S61 WeakPolarHBondContact O-CB 3.47Å; Q57-S61 PolarHBondContact O-N 3.4Å; Q57-T85 HydrophobicContact CG-CG2 4.06Å; Q57-F139 HydrophobicContact CB-CD2 3.84Å; Q57-F139 HydrophobicContact CB-CE2 3.48Å; Q57-F139 VanDerWaalsContact CB-CE2 3.48Å; Q57-F139 HydrophobicContact CB-CZ 4.07Å; Q57-F139 VanDerWaalsContact CD-CZ 3.44Å; Q57-F139 HydrophobicContact CG-CD2 4.24Å; Q57-F139 HydrophobicContact CG-CE1 4.36Å; Q57-F139 HydrophobicContact CG-CE2 3.8Å; Q57-F139 HydrophobicContact CG-CZ 3.86Å
58F97.6Very high96.3Very high41 Ų4138 Ų3818%0.1820%0.198CC..Hα-helixtrans-61.9-47.1175.9165.9-113.4000111.6R54 A55 L56 S61 F62 A81 T85 L86R54-F58 PolarHBondContact O-N 3.39Å; A55-F58 WeakPolarHBondContact O-CB 3.45Å; A55-F58 PolarHBondContact O-N 3.34Å; L56-F58 VanDerWaalsContact C-N 3.34Å; L56-F58 PolarHBondContact O-N 3.3Å; F58-S61 PolarHBondContact O-N 3.29Å; F58-F62 HydrophobicContact CE2-CB 4.25Å; F58-F62 HydrophobicContact CZ-CB 4.44Å; F58-F62 VanDerWaalsContact O-CB 3.23Å; F58-F62 WeakPolarHBondContact O-CB 3.29Å; F58-F62 PolarHBondContact O-N 2.82Å; F58-A81 HydrophobicContact CD2-CB 4.15Å; F58-A81 HydrophobicContact CE2-CB 3.98Å; F58-T85 WeakPolarHBondContact CA-OG1 3.29Å; F58-T85 WeakPolarHBondContact CB-OG1 3.42Å; F58-L86 HydrophobicContact CB-CD1 3.43Å; F58-L86 VanDerWaalsContact CB-CD1 3.43Å; F58-L86 HydrophobicContact CB-CG 3.69Å; F58-L86 HydrophobicContact CD1-CD1 3.76Å; F58-L86 HydrophobicContact CG-CD1 3.66Å; F58-L86 HydrophobicContact CG-CG 4.32Å
59V96.6Very high96.1Very high64 Ų6439 Ų3939%0.38821%0.205SC..Hα-helixtrans-61.3-47.5-179.5171.90000110.8A55 L56 F62 I63A55-V59 WeakPolarHBondContact O-CG2 3.48Å; A55-V59 PolarHBondContact O-N 3.42Å; L56-V59 PolarHBondContact O-N 2.94Å; V59-F62 PolarHBondContact O-N 3.37Å; V59-I63 HydrophobicContact CG1-CD1 3.7Å; V59-I63 HydrophobicContact CG1-CG1 4.36Å; V59-I63 VanDerWaalsContact O-CG1 3.26Å; V59-I63 WeakPolarHBondContact O-CG1 3.38Å; V59-I63 PolarHBondContact O-N 2.89Å
60A97.8Very high95.5Very high7 Ų744.5 Ų44.56%0.05823%0.228CC..Hα-helixtrans-61-47.3177.400000111.7L56 F62 I63 E64 C135L56-A60 WeakPolarHBondContact O-CB 3.19Å; L56-A60 PolarHBondContact O-N 2.91Å; A60-F62 VanDerWaalsContact C-N 3.32Å; A60-F62 PolarHBondContact O-N 2.98Å; A60-I63 PolarHBondContact O-N 2.87Å; A60-E64 WeakPolarHBondContact O-CB 3.33Å; A60-E64 PolarHBondContact O-N 3.5Å; A60-C135 HydrophobicContact CB-CB 3.91Å
61S97.5Very high95.2Very high37 Ų3747 Ų4726%0.25925%0.245SC..Hα-helixtrans-60.7-40.3176.8177.50000112.3Q57 F58 A65Q57-S61 VanDerWaalsContact O-CB 3.27Å; Q57-S61 WeakPolarHBondContact O-CB 3.47Å; Q57-S61 PolarHBondContact O-N 3.4Å; F58-S61 PolarHBondContact O-N 3.29Å; S61-A65 VanDerWaalsContact O-CB 3.3Å; S61-A65 WeakPolarHBondContact O-CB 3.44Å; S61-A65 PolarHBondContact O-N 3.39Å
62F96.4Very high94.9Very high30 Ų3047 Ų4713%0.13225%0.251CS..Hα-helixtrans-69.2-45179.3179.1-132.2000112.4F58 V59 A60 E64 A65 I66 I74 I77 A78 A81 L105 L111F58-F62 HydrophobicContact CE2-CB 4.25Å; F58-F62 HydrophobicContact CZ-CB 4.44Å; F58-F62 VanDerWaalsContact O-CB 3.23Å; F58-F62 WeakPolarHBondContact O-CB 3.29Å; F58-F62 PolarHBondContact O-N 2.82Å; V59-F62 PolarHBondContact O-N 3.37Å; A60-F62 VanDerWaalsContact C-N 3.32Å; A60-F62 PolarHBondContact O-N 2.98Å; F62-E64 VanDerWaalsContact C-N 3.32Å; F62-E64 PolarHBondContact O-N 2.94Å; F62-A65 PolarHBondContact O-N 3.17Å; F62-I66 HydrophobicContact CD1-CD1 3.84Å; F62-I66 HydrophobicContact CD2-CD1 3.72Å; F62-I66 HydrophobicContact CD2-CG1 3.95Å; F62-I66 HydrophobicContact CE1-CD1 3.47Å; F62-I66 VanDerWaalsContact CE1-CD1 3.47Å; F62-I66 HydrophobicContact CE2-CD1 3.33Å; F62-I66 HydrophobicContact CE2-CG1 3.6Å; F62-I66 HydrophobicContact CG-CD1 3.97Å; F62-I66 HydrophobicContact CZ-CD1 3.21Å; F62-I66 HydrophobicContact CZ-CG1 3.99Å; F62-I66 VanDerWaalsContact O-CG1 3.27Å; F62-I66 WeakPolarHBondContact O-CG1 3.21Å; F62-I66 PolarHBondContact O-N 3.31Å; F62-I74 HydrophobicContact CE2-CG2 3.86Å; F62-I74 HydrophobicContact CZ-CG2 3.69Å; F62-I77 HydrophobicContact CD2-CG2 4.39Å; F62-I77 HydrophobicContact CE2-CG2 4.41Å; F62-A78 HydrophobicContact CD2-CB 4.03Å; F62-A78 HydrophobicContact CE2-CB 3.44Å; F62-A78 VanDerWaalsContact CE2-CB 3.44Å; F62-A78 HydrophobicContact CZ-CB 3.87Å; F62-A81 HydrophobicContact CB-CB 4.12Å; F62-L105 HydrophobicContact CZ-CD1 4.12Å; F62-L111 HydrophobicContact CZ-CD2 4.48Å
63I95.9Very high94.5Very high34 Ų3451 Ų5117%0.17427%0.269CS..Hα-helixtrans-57.7-48.2175.2-69.4169.4000109.6V59 A60 A65 I66 R67 M128 V131 V132V59-I63 HydrophobicContact CG1-CD1 3.7Å; V59-I63 HydrophobicContact CG1-CG1 4.36Å; V59-I63 VanDerWaalsContact O-CG1 3.26Å; V59-I63 WeakPolarHBondContact O-CG1 3.38Å; V59-I63 PolarHBondContact O-N 2.89Å; A60-I63 PolarHBondContact O-N 2.87Å; I63-A65 VanDerWaalsContact C-N 3.34Å; I63-A65 PolarHBondContact O-N 2.88Å; I63-I66 PolarHBondContact O-N 3.31Å; I63-R67 WeakPolarHBondContact O-CB 3.11Å; I63-R67 PolarHBondContact O-N 3.27Å; I63-M128 HydrophobicContact CB-CE 4.47Å; I63-M128 HydrophobicContact CG2-CB 3.77Å; I63-M128 HydrophobicContact CG2-CE 3.7Å; I63-M128 HydrophobicContact CG2-CG 4.04Å; I63-M128 WeakPolarHBondContact O-CE 3.33Å; I63-V131 HydrophobicContact CD1-CG1 4.08Å; I63-V132 HydrophobicContact CB-CG2 3.92Å; I63-V132 HydrophobicContact CG2-CG2 3.59Å
64E96.9Very high94.3Very high44 Ų4450.8 Ų50.821%0.20627%0.268CS..Hα-helixtrans-61.5-42.7179.2-174.160.4-171.400112A60 F62 I66 R67 L68 V132A60-E64 WeakPolarHBondContact O-CB 3.33Å; A60-E64 PolarHBondContact O-N 3.5Å; F62-E64 VanDerWaalsContact C-N 3.32Å; F62-E64 PolarHBondContact O-N 2.94Å; E64-I66 PolarHBondContact O-N 2.77Å; E64-R67 WeakPolarHBondContact O-CB 3.23Å; E64-R67 PolarHBondContact O-N 3.46Å; E64-R67 IonicContact OE1-CZ 2.76Å; E64-R67 IonicContact OE1-NE 3.89Å; E64-R67 IonicContact OE1-NH2 3.53Å; E64-R67 PolarHBondContact OE1-NH2 2.97Å; E64-R67 IonicContact OE2-CZ 3.47Å; E64-R67 IonicContact OE2-NE 2.74Å; E64-R67 PolarHBondContact OE2-NE 3.49Å; E64-R67 IonicContact OE2-NH2 2.71Å; E64-R67 PolarHBondContact OE2-NH2 3.46Å; E64-L68 HydrophobicContact CG-CD1 4.1Å; E64-L68 WeakPolarHBondContact O-CB 3.37Å; E64-L68 WeakPolarHBondContact O-CG 3.28Å; E64-L68 PolarHBondContact O-N 2.62Å; E64-V132 HydrophobicContact CB-CG1 4.02Å; E64-V132 HydrophobicContact CB-CG2 3.88Å; E64-V132 HydrophobicContact CG-CG1 4.3Å
65A95.8Very high94.2Very high32 Ų3250.6 Ų50.626%0.26427%0.271SS..Hα-helixtrans-67.2-35.3179.100000112.8S61 F62 I63 S69 I77S61-A65 VanDerWaalsContact O-CB 3.3Å; S61-A65 WeakPolarHBondContact O-CB 3.44Å; S61-A65 PolarHBondContact O-N 3.39Å; F62-A65 PolarHBondContact O-N 3.17Å; I63-A65 VanDerWaalsContact C-N 3.34Å; I63-A65 PolarHBondContact O-N 2.88Å; A65-S69 WeakPolarHBondContact O-CB 3.48Å; A65-S69 PolarHBondContact O-N 3.29Å; A65-I77 HydrophobicContact CB-CG2 3.46Å; A65-I77 VanDerWaalsContact CB-CG2 3.46Å
66I93.9Very high94.1Very high4 Ų452.4 Ų52.42%0.02128%0.28CS..Hα-helixtrans-67.3-44.1173-67162.2000110.9F62 I63 E64 L68 S69 I74 I77 R108 L111 M128F62-I66 HydrophobicContact CD1-CD1 3.84Å; F62-I66 HydrophobicContact CD2-CD1 3.72Å; F62-I66 HydrophobicContact CD2-CG1 3.95Å; F62-I66 HydrophobicContact CE1-CD1 3.47Å; F62-I66 VanDerWaalsContact CE1-CD1 3.47Å; F62-I66 HydrophobicContact CE2-CD1 3.33Å; F62-I66 HydrophobicContact CE2-CG1 3.6Å; F62-I66 HydrophobicContact CG-CD1 3.97Å; F62-I66 HydrophobicContact CZ-CD1 3.21Å; F62-I66 HydrophobicContact CZ-CG1 3.99Å; F62-I66 VanDerWaalsContact O-CG1 3.27Å; F62-I66 WeakPolarHBondContact O-CG1 3.21Å; F62-I66 PolarHBondContact O-N 3.31Å; I63-I66 PolarHBondContact O-N 3.31Å; E64-I66 PolarHBondContact O-N 2.77Å; I66-L68 VanDerWaalsContact C-N 3.34Å; I66-L68 PolarHBondContact O-N 3.22Å; I66-S69 PolarHBondContact O-N 2.97Å; I66-I74 HydrophobicContact CG1-CD1 4.06Å; I66-I74 HydrophobicContact CG2-CD1 4.28Å; I66-I77 HydrophobicContact CG1-CG2 4.48Å; I66-R108 HydrophobicContact CG2-CG 4.09Å; I66-R108 PolarHBondContact O-NE 3.08Å; I66-R108 VanDerWaalsContact O-NE 3.1Å; I66-L111 HydrophobicContact CD1-CD2 3.36Å; I66-L111 HydrophobicContact CG1-CD2 4.34Å; I66-L111 HydrophobicContact CG2-CD2 4.38Å; I66-M128 HydrophobicContact CB-CE 3.95Å; I66-M128 HydrophobicContact CG2-CE 3.89Å
67R93.8Very high94.1Very high48 Ų4851.3 Ų51.318%0.18127%0.274CS..Hα-helixtrans-58.4-46.2179.8-172.3-170.971.480.4-4.8111.3I63 E64 E125 M128I63-R67 WeakPolarHBondContact O-CB 3.11Å; I63-R67 PolarHBondContact O-N 3.27Å; E64-R67 WeakPolarHBondContact O-CB 3.23Å; E64-R67 PolarHBondContact O-N 3.46Å; E64-R67 IonicContact OE1-CZ 2.76Å; E64-R67 IonicContact OE1-NE 3.89Å; E64-R67 IonicContact OE1-NH2 3.53Å; E64-R67 PolarHBondContact OE1-NH2 2.97Å; E64-R67 IonicContact OE2-CZ 3.47Å; E64-R67 IonicContact OE2-NE 2.74Å; E64-R67 PolarHBondContact OE2-NE 3.49Å; E64-R67 IonicContact OE2-NH2 2.71Å; E64-R67 PolarHBondContact OE2-NH2 3.46Å; R67-E125 WeakPolarHBondContact CD-O 3.04Å; R67-E125 HydrophobicContact CG-CB 4.02Å; R67-E125 HydrophobicContact CG-CG 4.11Å; R67-M128 HydrophobicContact CB-CB 4.34Å; R67-M128 HydrophobicContact CB-CE 3.94Å; R67-M128 HydrophobicContact CB-SD 4.39Å; R67-M128 HydrophobicContact CG-CB 4.18Å
68L93.7Very high94Very high107 Ų10748.2 Ų48.256%0.5626%0.26SS*.Hα-helixtrans-77.7-25.3-179-68.5176.2000113.7E64 I66E64-L68 HydrophobicContact CG-CD1 4.1Å; E64-L68 WeakPolarHBondContact O-CB 3.37Å; E64-L68 WeakPolarHBondContact O-CG 3.28Å; E64-L68 PolarHBondContact O-N 2.62Å; I66-L68 VanDerWaalsContact C-N 3.34Å; I66-L68 PolarHBondContact O-N 3.22Å
69S91Very high94Very high22 Ų2249.2 Ų49.215%0.15426%0.263CS..  trans-73143.9178.2179.30000111.1A65 I66 S71 I77 R108A65-S69 WeakPolarHBondContact O-CB 3.48Å; A65-S69 PolarHBondContact O-N 3.29Å; I66-S69 PolarHBondContact O-N 2.97Å; S69-S71 WeakPolarHBondContact OG-CB 3.42Å; S69-S71 PolarHBondContact OG-N 3.07Å; S69-S71 PolarHBondContact OG-O 3.34Å; S69-I77 VanDerWaalsContact CB-CD1 3.48Å; S69-I77 WeakPolarHBondContact OG-CD1 3.45Å; S69-R108 WeakPolarHBondContact O-CD 3.49Å; S69-R108 PolarHBondContact O-NE 3.49Å; S69-R108 PolarHBondContact O-NH2 2.98Å
70K85.2Confident94Very high145 Ų14552.3 Ų52.363%0.6327%0.271SS*.  trans-107.84.4163.6-59.5-60.7179.4-174.20112.4E125K70-E125 IonicContact NZ-OE1 3.87Å; K70-E125 PolarHBondContact NZ-OE1 3.27Å; K70-E125 IonicContact NZ-OE2 2.83Å; K70-E125 PolarHBondContact NZ-OE2 3.28Å
71S89.5Confident94Very high53 Ų5352.1 Ų52.137%0.37127%0.269SS..  trans-82.4135.3176.7-179.10000111S69 Q73 R108S69-S71 WeakPolarHBondContact OG-CB 3.42Å; S69-S71 PolarHBondContact OG-N 3.07Å; S69-S71 PolarHBondContact OG-O 3.34Å; S71-Q73 PolarHBondContact O-N 2.76Å; S71-Q73 WeakPolarHBondContact OG-CB 3.44Å; S71-Q73 PolarHBondContact OG-N 3.2Å; S71-Q73 VanDerWaalsContact OG-N 3.11Å; S71-R108 WeakPolarHBondContact O-CB 3.47Å; S71-R108 WeakPolarHBondContact O-CD 3.41Å
72D88.2Confident94Very high86 Ų8650.5 Ų50.546%0.4626%0.257SS..SBendtrans-72.2-12.8169.9-85.1-34.1000113.2I74 R108 K109D72-I74 PolarHBondContact O-N 3.21Å; D72-I74 VanDerWaalsContact O-N 3.11Å; D72-R108 PolarHBondContact O-N 3.37Å; D72-K109 PolarHBondContact OD1-N 3.46Å
73Q89.4Confident94Very high138 Ų13852.4 Ų52.465%0.64527%0.269SS*.  trans-8090.7177.5-60.4-174.28.500111S71 P76 I77S71-Q73 PolarHBondContact O-N 2.76Å; S71-Q73 WeakPolarHBondContact OG-CB 3.44Å; S71-Q73 PolarHBondContact OG-N 3.2Å; S71-Q73 VanDerWaalsContact OG-N 3.11Å; Q73-P76 HydrophobicContact CB-CG 4.44Å; Q73-I77 WeakPolarHBondContact O-CD1 3.49Å
74I93.8Very high94.1Very high3 Ų355.6 Ų55.62%0.01528%0.283CS..Hα-helixtrans-75.7-30.7179.2-65.1-55000113.1F62 I66 D72 I77 A78 L105 R108F62-I74 HydrophobicContact CE2-CG2 3.86Å; F62-I74 HydrophobicContact CZ-CG2 3.69Å; I66-I74 HydrophobicContact CG1-CD1 4.06Å; I66-I74 HydrophobicContact CG2-CD1 4.28Å; D72-I74 PolarHBondContact O-N 3.21Å; D72-I74 VanDerWaalsContact O-N 3.11Å; I74-I77 HydrophobicContact CD1-CD1 4.13Å; I74-I77 WeakPolarHBondContact O-CB 3.38Å; I74-I77 PolarHBondContact O-N 3.41Å; I74-A78 PolarHBondContact O-N 3.24Å; I74-L105 HydrophobicContact CG2-CB 4.09Å; I74-L105 HydrophobicContact CG2-CD1 3.81Å; I74-R108 HydrophobicContact CD1-CB 3.48Å; I74-R108 VanDerWaalsContact CD1-CB 3.48Å; I74-R108 HydrophobicContact CD1-CG 3.97Å; I74-R108 HydrophobicContact CG1-CB 3.95Å; I74-R108 VanDerWaalsContact CG1-N 3.33Å
75A94.3Very high94.1Very high18 Ų1853.9 Ų53.915%0.14928%0.276CS..Hα-helixtrans-58.5-45.4-173.900000114I77 R79 V102 Y103A75-I77 VanDerWaalsContact C-N 3.32Å; A75-I77 PolarHBondContact O-N 3.24Å; A75-R79 VanDerWaalsContact O-CB 3.29Å; A75-R79 WeakPolarHBondContact O-CB 3.49Å; A75-R79 PolarHBondContact O-N 2.98Å; A75-V102 HydrophobicContact CB-CB 4.45Å; A75-V102 HydrophobicContact CB-CG2 4.39Å; A75-V102 WeakPolarHBondContact CB-O 3.42Å; A75-Y103 HydrophobicContact CB-CD1 4.08Å; A75-Y103 HydrophobicContact CB-CE1 4.39Å
76P94.9Very high94.1Very high72 Ų7253.3 Ų53.347%0.46827%0.268SS..Hα-helixtrans-62.7-36.2173.8-2334.8000113.4Q73 K80Q73-P76 HydrophobicContact CB-CG 4.44Å; P76-K80 WeakPolarHBondContact O-CB 3.32Å; P76-K80 PolarHBondContact O-N 3.24Å
77I95.6Very high94.3Very high26 Ų2653.5 Ų53.513%0.13327%0.27CS..Hα-helixtrans-66.4-50.5179.5-60170.2000110.1F62 A65 I66 S69 Q73 I74 A75 R79 K80 A81F62-I77 HydrophobicContact CD2-CG2 4.39Å; F62-I77 HydrophobicContact CE2-CG2 4.41Å; A65-I77 HydrophobicContact CB-CG2 3.46Å; A65-I77 VanDerWaalsContact CB-CG2 3.46Å; I66-I77 HydrophobicContact CG1-CG2 4.48Å; S69-I77 VanDerWaalsContact CB-CD1 3.48Å; S69-I77 WeakPolarHBondContact OG-CD1 3.45Å; Q73-I77 WeakPolarHBondContact O-CD1 3.49Å; I74-I77 HydrophobicContact CD1-CD1 4.13Å; I74-I77 WeakPolarHBondContact O-CB 3.38Å; I74-I77 PolarHBondContact O-N 3.41Å; A75-I77 VanDerWaalsContact C-N 3.32Å; A75-I77 PolarHBondContact O-N 3.24Å; I77-R79 VanDerWaalsContact C-N 3.34Å; I77-R79 PolarHBondContact O-N 3.44Å; I77-K80 PolarHBondContact O-N 3.37Å; I77-A81 PolarHBondContact O-N 3.36Å
78A96.1Very high94.3Very high1 Ų159.2 Ų59.21%0.00829%0.292CS..Hα-helixtrans-60.7-43.7177.800000111.8F62 I74 A81 Y82 V102 L105F62-A78 HydrophobicContact CD2-CB 4.03Å; F62-A78 HydrophobicContact CE2-CB 3.44Å; F62-A78 VanDerWaalsContact CE2-CB 3.44Å; F62-A78 HydrophobicContact CZ-CB 3.87Å; I74-A78 PolarHBondContact O-N 3.24Å; A78-A81 PolarHBondContact O-N 2.95Å; A78-Y82 WeakPolarHBondContact O-CB 3.3Å; A78-Y82 PolarHBondContact O-N 3.1Å; A78-V102 HydrophobicContact CB-CB 4.18Å; A78-V102 HydrophobicContact CB-CG1 3.74Å; A78-L105 HydrophobicContact CB-CD1 3.44Å; A78-L105 VanDerWaalsContact CB-CD1 3.44Å
79R96.8Very high94.4Very high63 Ų6358.5 Ų58.524%0.23828%0.282CS..Hα-helixtrans-59.8-48.3176.4-179.8-177.3-68-104.81.1111.5A75 I77 Y82 D83 H99 V102 Y103A75-R79 VanDerWaalsContact O-CB 3.29Å; A75-R79 WeakPolarHBondContact O-CB 3.49Å; A75-R79 PolarHBondContact O-N 2.98Å; I77-R79 VanDerWaalsContact C-N 3.34Å; I77-R79 PolarHBondContact O-N 3.44Å; R79-Y82 WeakPolarHBondContact O-CB 3.33Å; R79-Y82 PolarHBondContact O-N 3.2Å; R79-D83 WeakPolarHBondContact O-CB 3.39Å; R79-D83 PolarHBondContact O-N 2.99Å; R79-H99 PolarHBondContact NH1-ND1 2.97Å; R79-H99 PolarHBondContact NH2-O 3.48Å; R79-V102 HydrophobicContact CB-CG2 4.38Å; R79-Y103 PolarHBondContact NH2-OH 3Å
80K96.9Very high94.6Very high128 Ų12860.4 Ų60.456%0.55729%0.289SS*.Hα-helixtrans-60.5-49.8179.4-177.3179175-176.10111.4P76 I77 Y82 D83 E84P76-K80 WeakPolarHBondContact O-CB 3.32Å; P76-K80 PolarHBondContact O-N 3.24Å; I77-K80 PolarHBondContact O-N 3.37Å; K80-Y82 VanDerWaalsContact C-N 3.27Å; K80-Y82 PolarHBondContact O-N 3.42Å; K80-D83 PolarHBondContact O-N 2.82Å; K80-E84 WeakPolarHBondContact CE-OE1 3.4Å; K80-E84 HydrophobicContact CG-CG 4.45Å; K80-E84 IonicContact NZ-OE1 2.78Å; K80-E84 WeakPolarHBondContact O-CG 3.36Å; K80-E84 PolarHBondContact O-N 2.76Å
81A97.5Very high95.1Very high3 Ų355.9 Ų55.93%0.02528%0.283CS..Hα-helixtrans-57.7-41.1177.300000111.7F58 F62 I77 A78 T85F58-A81 HydrophobicContact CD2-CB 4.15Å; F58-A81 HydrophobicContact CE2-CB 3.98Å; F62-A81 HydrophobicContact CB-CB 4.12Å; I77-A81 PolarHBondContact O-N 3.36Å; A78-A81 PolarHBondContact O-N 2.95Å; A81-T85 WeakPolarHBondContact O-CB 3.47Å; A81-T85 WeakPolarHBondContact O-CG2 3.31Å; A81-T85 PolarHBondContact O-N 3.43Å; A81-T85 PolarHBondContact O-OG1 2.9Å
82Y98Very high95.4Very high3 Ų361.5 Ų61.51%0.01230%0.296CS..Hα-helixtrans-64.5-46.2176.1171.9-100.2000112.5A78 R79 K80 E84 T85 L86 A87 H90 R95 V98 H99A78-Y82 WeakPolarHBondContact O-CB 3.3Å; A78-Y82 PolarHBondContact O-N 3.1Å; R79-Y82 WeakPolarHBondContact O-CB 3.33Å; R79-Y82 PolarHBondContact O-N 3.2Å; K80-Y82 VanDerWaalsContact C-N 3.27Å; K80-Y82 PolarHBondContact O-N 3.42Å; Y82-E84 VanDerWaalsContact C-N 3.32Å; Y82-E84 PolarHBondContact O-N 3.02Å; Y82-T85 PolarHBondContact O-N 2.8Å; Y82-L86 HydrophobicContact CD2-CB 3.71Å; Y82-L86 HydrophobicContact CD2-CD1 4.35Å; Y82-L86 HydrophobicContact CE2-CB 3.72Å; Y82-L86 PolarHBondContact O-N 2.98Å; Y82-A87 HydrophobicContact CD1-CB 3.96Å; Y82-A87 HydrophobicContact CE1-CB 3.61Å; Y82-A87 PolarHBondContact O-N 2.87Å; Y82-H90 AromaticContact CE2-ND1 3.49Å; Y82-H90 WeakPolarHBondContact CE2-ND1 3.48Å; Y82-H90 AromaticContact CZ-ND1 3.63Å; Y82-H90 WeakPolarHBondContact OH-CB 3.48Å; Y82-H90 PolarHBondContact OH-ND1 3.4Å; Y82-R95 HydrophobicContact CE1-CB 4.38Å; Y82-R95 HydrophobicContact CE1-CG 4.2Å; Y82-R95 WeakPolarHBondContact OH-CA 3.47Å; Y82-V98 HydrophobicContact CD1-CB 4.45Å; Y82-V98 HydrophobicContact CD1-CG1 3.88Å; Y82-V98 HydrophobicContact CD2-CB 4.46Å; Y82-V98 HydrophobicContact CD2-CG1 3.67Å; Y82-V98 HydrophobicContact CE1-CB 4.05Å; Y82-V98 HydrophobicContact CE1-CG1 3.97Å; Y82-V98 HydrophobicContact CE2-CB 4.05Å; Y82-V98 HydrophobicContact CE2-CG1 3.75Å; Y82-V98 HydrophobicContact CE2-CG2 3.85Å; Y82-V98 HydrophobicContact CG-CG1 3.72Å; Y82-H99 AromaticContact CD1-NE2 3.99Å
83D97.8Very high95.9Very high70 Ų7063.6 Ų63.637%0.37431%0.306SS..Hα-helixtrans-64.6-36.6-178.4-73.3-21.3000111.8R79 K80 H99R79-D83 WeakPolarHBondContact O-CB 3.39Å; R79-D83 PolarHBondContact O-N 2.99Å; K80-D83 PolarHBondContact O-N 2.82Å; D83-H99 IonicContact OD1-CD2 3.71Å; D83-H99 IonicContact OD1-CE1 3.64Å; D83-H99 IonicContact OD1-NE2 3.79Å; D83-H99 PolarHBondContact OD1-NE2 3.34Å; D83-H99 IonicContact OD2-CE1 3.62Å; D83-H99 IonicContact OD2-NE2 3.83Å; D83-H99 PolarHBondContact OD2-NE2 3.1Å
84E97.4Very high96.2Very high102 Ų10260.2 Ų60.248%0.47730%0.295SS..Hα-helixtrans-75-24.4178.5-70.9173.9168.700113.1K80 Y82 R88K80-E84 WeakPolarHBondContact CE-OE1 3.4Å; K80-E84 HydrophobicContact CG-CG 4.45Å; K80-E84 IonicContact NZ-OE1 2.78Å; K80-E84 WeakPolarHBondContact O-CG 3.36Å; K80-E84 PolarHBondContact O-N 2.76Å; Y82-E84 VanDerWaalsContact C-N 3.32Å; Y82-E84 PolarHBondContact O-N 3.02Å; E84-R88 PolarHBondContact O-NH2 2.95Å
85T97.2Very high96.4Very high8 Ų864.4 Ų64.45%0.04931%0.31CS..THydrogen-bonded Turntrans-113.1-77.8-173.758.50000112.7Q57 F58 A81 Y82 R88Q57-T85 HydrophobicContact CG-CG2 4.06Å; F58-T85 WeakPolarHBondContact CA-OG1 3.29Å; F58-T85 WeakPolarHBondContact CB-OG1 3.42Å; A81-T85 WeakPolarHBondContact O-CB 3.47Å; A81-T85 WeakPolarHBondContact O-CG2 3.31Å; A81-T85 PolarHBondContact O-N 3.43Å; A81-T85 PolarHBondContact O-OG1 2.9Å; Y82-T85 PolarHBondContact O-N 2.8Å; T85-R88 PolarHBondContact O-NE 2.87Å
86L95.7Very high96.6Very high19 Ų1968.9 Ų68.910%0.09933%0.326CS..THydrogen-bonded Turntrans-82-27.7-167.5-84175.3000114.7R54 F58 Y82 R88 Y89 H90R54-L86 HydrophobicContact CB-CD2 3.8Å; R54-L86 WeakPolarHBondContact O-CD2 3.35Å; F58-L86 HydrophobicContact CB-CD1 3.43Å; F58-L86 VanDerWaalsContact CB-CD1 3.43Å; F58-L86 HydrophobicContact CB-CG 3.69Å; F58-L86 HydrophobicContact CD1-CD1 3.76Å; F58-L86 HydrophobicContact CG-CD1 3.66Å; F58-L86 HydrophobicContact CG-CG 4.32Å; Y82-L86 HydrophobicContact CD2-CB 3.71Å; Y82-L86 HydrophobicContact CD2-CD1 4.35Å; Y82-L86 HydrophobicContact CE2-CB 3.72Å; Y82-L86 PolarHBondContact O-N 2.98Å; L86-R88 PolarHBondContact O-N 3.27Å; L86-R88 VanDerWaalsContact O-N 3.1Å; L86-Y89 HydrophobicContact CD2-CD2 4.48Å; L86-Y89 PolarHBondContact O-N 3.14Å; L86-H90 PolarHBondContact O-ND1 3.17Å
87A96.8Very high96.7Very high9 Ų968.2 Ų68.27%0.07433%0.327CS..G310 helixtrans-58.3-31-170.900000113.5Y82 Y89 H90 R95Y82-A87 HydrophobicContact CD1-CB 3.96Å; Y82-A87 HydrophobicContact CE1-CB 3.61Å; Y82-A87 PolarHBondContact O-N 2.87Å; A87-Y89 PolarHBondContact O-N 3.21Å; A87-H90 PolarHBondContact O-N 2.78Å; A87-R95 HydrophobicContact CB-CG 4.34Å; A87-R95 WeakPolarHBondContact O-CD 3.49Å; A87-R95 PolarHBondContact O-NH1 3.18Å
88R95.3Very high96.8Very high168 Ų16868.8 Ų68.863%0.63433%0.332SS*.G310 helixtrans-63.2-22.2177.572.2-17677.2-164.31.2113.9E84 T85 L86E84-R88 PolarHBondContact O-NH2 2.95Å; T85-R88 PolarHBondContact O-NE 2.87Å; L86-R88 PolarHBondContact O-N 3.27Å; L86-R88 VanDerWaalsContact O-N 3.1Å
89Y94.4Very high96.8Very high92 Ų9270.1 Ų70.136%0.36134%0.337SS..G310 helixtrans-98.6-0.1179.8-50.6-68.4000113.4R54 L86 A87R54-Y89 HydrophobicContact CB-CD2 4.26Å; R54-Y89 HydrophobicContact CB-CE2 4.18Å; R54-Y89 HydrophobicContact CG-CD2 4.01Å; R54-Y89 HydrophobicContact CG-CE2 3.69Å; R54-Y89 VanDerWaalsContact CZ-CD1 3.44Å; R54-Y89 VanDerWaalsContact NE-CE1 3.29Å; L86-Y89 HydrophobicContact CD2-CD2 4.48Å; L86-Y89 PolarHBondContact O-N 3.14Å; A87-Y89 PolarHBondContact O-N 3.21Å
90H94.8Very high96.9Very high62 Ų6273.2 Ų73.229%0.28736%0.358SS..SBendtrans-115.5135.8-175.6-69.3141.4000111.4Y82 L86 A87 V94 R95Y82-H90 AromaticContact CE2-ND1 3.49Å; Y82-H90 WeakPolarHBondContact CE2-ND1 3.48Å; Y82-H90 AromaticContact CZ-ND1 3.63Å; Y82-H90 WeakPolarHBondContact OH-CB 3.48Å; Y82-H90 PolarHBondContact OH-ND1 3.4Å; L86-H90 PolarHBondContact O-ND1 3.17Å; A87-H90 PolarHBondContact O-N 2.78Å; H90-V94 HydrophobicContact CB-CB 4.04Å; H90-V94 HydrophobicContact CB-CG1 3.86Å; H90-R95 HydrophobicContact CB-CG 4.02Å; H90-R95 PolarHBondContact O-NH1 3.3Å
91G95.8Very high96.9Very high49 Ų4969.5 Ų69.551%0.50535%0.351SS..  trans-63.9165.9171.200000112.4I93 V94 R95G91-I93 VanDerWaalsContact C-N 3.32Å; G91-I93 PolarHBondContact O-N 2.93Å; G91-V94 PolarHBondContact O-N 2.98Å; G91-V94 VanDerWaalsContact O-N 3.17Å; G91-R95 PolarHBondContact O-N 3.1Å; G91-R95 VanDerWaalsContact O-N 3.1Å
92W96.9Very high96.8Very high171 Ų17169.8 Ų69.865%0.64835%0.353SS*.Hα-helixtrans-53.7-43.3-174177.188.9000113.8V94 R95 K96W92-V94 PolarHBondContact O-N 2.98Å; W92-R95 PolarHBondContact O-N 2.99Å; W92-K96 HydrophobicContact CD2-CG 4.26Å; W92-K96 HydrophobicContact CZ2-CG 4.1Å; W92-K96 WeakPolarHBondContact O-CG 3.46Å; W92-K96 PolarHBondContact O-N 3.39Å
93I97.8Very high96.6Very high130 Ų13077.1 Ų77.167%0.66738%0.381SS*.Hα-helixtrans-61.2-47.5-179.4-60.9175.8000111G91 R95 K96 A97G91-I93 VanDerWaalsContact C-N 3.32Å; G91-I93 PolarHBondContact O-N 2.93Å; I93-R95 PolarHBondContact O-N 3.25Å; I93-K96 PolarHBondContact O-N 3.2Å; I93-A97 PolarHBondContact O-N 3.36Å
94V97Very high96.5Very high67 Ų6779.4 Ų79.441%0.40640%0.398SS..Hα-helixtrans-65.3-41.9-179.1175.90000110.7H90 G91 W92 K96 A97 V98H90-V94 HydrophobicContact CB-CB 4.04Å; H90-V94 HydrophobicContact CB-CG1 3.86Å; G91-V94 PolarHBondContact O-N 2.98Å; G91-V94 VanDerWaalsContact O-N 3.17Å; W92-V94 PolarHBondContact O-N 2.98Å; V94-K96 VanDerWaalsContact C-N 3.33Å; V94-K96 PolarHBondContact O-N 2.99Å; V94-A97 PolarHBondContact O-N 3.42Å; V94-V98 HydrophobicContact CG1-CG2 4.43Å; V94-V98 WeakPolarHBondContact O-CG2 3.28Å; V94-V98 PolarHBondContact O-N 3.49Å
95R97.7Very high96.3Very high91 Ų9177.7 Ų77.734%0.34339%0.392SS..Hα-helixtrans-57.6-45.7175-68.4-167-66.8-120.59.2112Y82 A87 H90 G91 W92 I93 V98 H99Y82-R95 HydrophobicContact CE1-CB 4.38Å; Y82-R95 HydrophobicContact CE1-CG 4.2Å; Y82-R95 WeakPolarHBondContact OH-CA 3.47Å; A87-R95 HydrophobicContact CB-CG 4.34Å; A87-R95 WeakPolarHBondContact O-CD 3.49Å; A87-R95 PolarHBondContact O-NH1 3.18Å; H90-R95 HydrophobicContact CB-CG 4.02Å; H90-R95 PolarHBondContact O-NH1 3.3Å; G91-R95 PolarHBondContact O-N 3.1Å; G91-R95 VanDerWaalsContact O-N 3.1Å; W92-R95 PolarHBondContact O-N 2.99Å; I93-R95 PolarHBondContact O-N 3.25Å; R95-V98 PolarHBondContact O-N 3.21Å; R95-H99 WeakPolarHBondContact O-CB 3.38Å; R95-H99 PolarHBondContact O-CD2 2.89Å; R95-H99 PolarHBondContact O-N 3.17Å
96K97.7Very high96.1Very high113 Ų11379.3 Ų79.349%0.49140%0.403SS..Hα-helixtrans-64.1-40.5177.3-69-63.5-176.8-177.40112.5W92 I93 V94 H99 L100W92-K96 HydrophobicContact CD2-CG 4.26Å; W92-K96 HydrophobicContact CZ2-CG 4.1Å; W92-K96 WeakPolarHBondContact O-CG 3.46Å; W92-K96 PolarHBondContact O-N 3.39Å; I93-K96 PolarHBondContact O-N 3.2Å; V94-K96 VanDerWaalsContact C-N 3.33Å; V94-K96 PolarHBondContact O-N 2.99Å; K96-H99 PolarHBondContact O-N 3.12Å; K96-L100 PolarHBondContact O-N 3.4Å
97A98Very high96Very high57 Ų5781 Ų8147%0.47141%0.414SS..Hα-helixtrans-62.5-45.4175.700000111.9I93 V94 L100 A101I93-A97 PolarHBondContact O-N 3.36Å; V94-A97 PolarHBondContact O-N 3.42Å; A97-L100 PolarHBondContact O-N 2.76Å; A97-A101 WeakPolarHBondContact O-CB 3.42Å; A97-A101 PolarHBondContact O-N 3.02Å
98V96.9Very high95.8Very high39 Ų3981.1 Ų81.124%0.23641%0.412CS..Hα-helixtrans-63-44.5176174.50000111.1Y82 V94 R95 L100 A101 V102Y82-V98 HydrophobicContact CD1-CB 4.45Å; Y82-V98 HydrophobicContact CD1-CG1 3.88Å; Y82-V98 HydrophobicContact CD2-CB 4.46Å; Y82-V98 HydrophobicContact CD2-CG1 3.67Å; Y82-V98 HydrophobicContact CE1-CB 4.05Å; Y82-V98 HydrophobicContact CE1-CG1 3.97Å; Y82-V98 HydrophobicContact CE2-CB 4.05Å; Y82-V98 HydrophobicContact CE2-CG1 3.75Å; Y82-V98 HydrophobicContact CE2-CG2 3.85Å; Y82-V98 HydrophobicContact CG-CG1 3.72Å; V94-V98 HydrophobicContact CG1-CG2 4.43Å; V94-V98 WeakPolarHBondContact O-CG2 3.28Å; V94-V98 PolarHBondContact O-N 3.49Å; R95-V98 PolarHBondContact O-N 3.21Å; V98-L100 PolarHBondContact O-N 3.06Å; V98-A101 PolarHBondContact O-N 3.44Å; V98-A101 VanDerWaalsContact O-N 3.1Å; V98-V102 HydrophobicContact CG1-CG1 4.45Å; V98-V102 WeakPolarHBondContact O-CG1 3.48Å; V98-V102 PolarHBondContact O-N 2.99Å
99H96.8Very high95.5Very high28 Ų2880.4 Ų80.413%0.1341%0.414CS..Hα-helixtrans-58.7-31.2175.5-76.3-174.5000113.4R79 Y82 D83 R95 K96 V102 Y103R79-H99 PolarHBondContact NH1-ND1 2.97Å; R79-H99 PolarHBondContact NH2-O 3.48Å; Y82-H99 AromaticContact CD1-NE2 3.99Å; D83-H99 IonicContact OD1-CD2 3.71Å; D83-H99 IonicContact OD1-CE1 3.64Å; D83-H99 IonicContact OD1-NE2 3.79Å; D83-H99 PolarHBondContact OD1-NE2 3.34Å; D83-H99 IonicContact OD2-CE1 3.62Å; D83-H99 IonicContact OD2-NE2 3.83Å; D83-H99 PolarHBondContact OD2-NE2 3.1Å; R95-H99 WeakPolarHBondContact O-CB 3.38Å; R95-H99 PolarHBondContact O-CD2 2.89Å; R95-H99 PolarHBondContact O-N 3.17Å; K96-H99 PolarHBondContact O-N 3.12Å; H99-V102 WeakPolarHBondContact O-CG2 3.44Å; H99-Y103 VanDerWaalsContact O-CD2 3.32Å; H99-Y103 WeakPolarHBondContact O-CD2 3.42Å; H99-Y103 WeakPolarHBondContact O-CE2 3.49Å
100L97.5Very high95.3Very high128 Ų12880.6 Ų80.667%0.6742%0.418SS*.Hα-helixtrans-77.3-44.2172.2-178.460.9000111.2K96 A97 V98 V102 Y103K96-L100 PolarHBondContact O-N 3.4Å; A97-L100 PolarHBondContact O-N 2.76Å; V98-L100 PolarHBondContact O-N 3.06Å; L100-V102 VanDerWaalsContact C-N 3.29Å; L100-V102 PolarHBondContact O-N 3.05Å; L100-Y103 PolarHBondContact O-N 3.36Å
101A97Very high95.1Very high50 Ų5079.4 Ų79.441%0.41341%0.414SS..Hα-helixtrans-61-33.2-178.200000113.3A97 V98 Y103 T104A97-A101 WeakPolarHBondContact O-CB 3.42Å; A97-A101 PolarHBondContact O-N 3.02Å; V98-A101 PolarHBondContact O-N 3.44Å; V98-A101 VanDerWaalsContact O-N 3.1Å; A101-Y103 PolarHBondContact O-N 3.36Å; A101-Y103 VanDerWaalsContact O-N 3.1Å; A101-T104 PolarHBondContact O-N 2.69Å; A101-T104 PolarHBondContact O-OG1 2.85Å
102V95.5Very high94.8Very high9 Ų977.6 Ų77.66%0.05539%0.392CS..G310 helixtrans-61.7-21178.7-65.70000113.8A75 A78 R79 V98 H99 L100 T104 L105A75-V102 HydrophobicContact CB-CB 4.45Å; A75-V102 HydrophobicContact CB-CG2 4.39Å; A75-V102 WeakPolarHBondContact CB-O 3.42Å; A78-V102 HydrophobicContact CB-CB 4.18Å; A78-V102 HydrophobicContact CB-CG1 3.74Å; R79-V102 HydrophobicContact CB-CG2 4.38Å; V98-V102 HydrophobicContact CG1-CG1 4.45Å; V98-V102 WeakPolarHBondContact O-CG1 3.48Å; V98-V102 PolarHBondContact O-N 2.99Å; H99-V102 WeakPolarHBondContact O-CG2 3.44Å; L100-V102 VanDerWaalsContact C-N 3.29Å; L100-V102 PolarHBondContact O-N 3.05Å; V102-T104 PolarHBondContact O-N 3.29Å; V102-L105 HydrophobicContact CB-CD1 4.13Å; V102-L105 HydrophobicContact CG1-CD1 4.32Å; V102-L105 WeakPolarHBondContact O-CB 3.41Å; V102-L105 WeakPolarHBondContact O-CG 3.41Å; V102-L105 PolarHBondContact O-N 3.45Å
103Y95.1Very high94.4Very high158 Ų15872.1 Ų72.162%0.6238%0.38SS*.G310 helixtrans-74.5-12.2174.9-69.6-75.9000113.4A75 R79 H99 L100 A101 L105A75-Y103 HydrophobicContact CB-CD1 4.08Å; A75-Y103 HydrophobicContact CB-CE1 4.39Å; R79-Y103 PolarHBondContact NH2-OH 3Å; H99-Y103 VanDerWaalsContact O-CD2 3.32Å; H99-Y103 WeakPolarHBondContact O-CD2 3.42Å; H99-Y103 WeakPolarHBondContact O-CE2 3.49Å; L100-Y103 PolarHBondContact O-N 3.36Å; A101-Y103 PolarHBondContact O-N 3.36Å; A101-Y103 VanDerWaalsContact O-N 3.1Å; Y103-L105 VanDerWaalsContact C-N 3.33Å
104T95.2Very high94Very high118 Ų11872.3 Ų72.372%0.72438%0.378SS*.G310 helixtrans-90.5-0.417576.70000112.6A101 V102A101-T104 PolarHBondContact O-N 2.69Å; A101-T104 PolarHBondContact O-OG1 2.85Å; V102-T104 PolarHBondContact O-N 3.29Å
105L94Very high93.5Very high65 Ų6574.1 Ų74.134%0.3438%0.384SS..SBendtrans-68.4144.5176.9-68.1171.6000110.6F62 I74 A78 V102 Y103F62-L105 HydrophobicContact CZ-CD1 4.12Å; I74-L105 HydrophobicContact CG2-CB 4.09Å; I74-L105 HydrophobicContact CG2-CD1 3.81Å; A78-L105 HydrophobicContact CB-CD1 3.44Å; A78-L105 VanDerWaalsContact CB-CD1 3.44Å; V102-L105 HydrophobicContact CB-CD1 4.13Å; V102-L105 HydrophobicContact CG1-CD1 4.32Å; V102-L105 WeakPolarHBondContact O-CB 3.41Å; V102-L105 WeakPolarHBondContact O-CG 3.41Å; V102-L105 PolarHBondContact O-N 3.45Å; Y103-L105 VanDerWaalsContact C-N 3.33Å
106P92.9Very high92.9Very high43 Ų4371 Ų7128%0.27938%0.377SS..PPolyproline II helixtrans-67.6170.7174.231.8-36.6000111.2Q110 L111P106-Q110 HydrophobicContact CB-CB 3.78Å; P106-L111 HydrophobicContact CG-CB 4.22Å; P106-L111 HydrophobicContact CG-CD1 4.16Å
107T92.8Very high92.1Very high55 Ų5574.2 Ų74.234%0.33739%0.394SS..PPolyproline II helixtrans-64.4162.7172.568.50000111.1K109 Q110 L111T107-K109 VanDerWaalsContact C-N 3.3Å; T107-K109 PolarHBondContact O-N 3.01Å; T107-Q110 PolarHBondContact O-N 3.24Å; T107-Q110 WeakPolarHBondContact OG1-CG 3.35Å; T107-Q110 PolarHBondContact OG1-N 3.01Å; T107-Q110 PolarHBondContact OG1-OE1 3.1Å; T107-L111 WeakPolarHBondContact O-CB 3.23Å; T107-L111 PolarHBondContact O-N 3.43Å
108R92Very high91.7Very high11 Ų1182.9 Ų82.94%0.04241%0.414CS..Hα-helixtrans-55.9-48.2176.8-177.7176.3166.7-80.72.9111.2I66 S69 S71 D72 I74 Q110 L111 I112 E121 E125I66-R108 HydrophobicContact CG2-CG 4.09Å; I66-R108 PolarHBondContact O-NE 3.08Å; I66-R108 VanDerWaalsContact O-NE 3.1Å; S69-R108 WeakPolarHBondContact O-CD 3.49Å; S69-R108 PolarHBondContact O-NE 3.49Å; S69-R108 PolarHBondContact O-NH2 2.98Å; S71-R108 WeakPolarHBondContact O-CB 3.47Å; S71-R108 WeakPolarHBondContact O-CD 3.41Å; D72-R108 PolarHBondContact O-N 3.37Å; I74-R108 HydrophobicContact CD1-CB 3.48Å; I74-R108 VanDerWaalsContact CD1-CB 3.48Å; I74-R108 HydrophobicContact CD1-CG 3.97Å; I74-R108 HydrophobicContact CG1-CB 3.95Å; I74-R108 VanDerWaalsContact CG1-N 3.33Å; R108-Q110 VanDerWaalsContact C-N 3.33Å; R108-Q110 PolarHBondContact O-N 3.07Å; R108-L111 PolarHBondContact O-N 3.25Å; R108-I112 HydrophobicContact CG-CD1 3.85Å; R108-I112 HydrophobicContact CG-CG1 4.38Å; R108-I112 WeakPolarHBondContact O-CG1 3.41Å; R108-I112 PolarHBondContact O-N 3.1Å; R108-E121 IonicContact CZ-OE1 3.85Å; R108-E121 VanDerWaalsContact CZ-OE1 3.24Å; R108-E121 IonicContact NH1-OE1 4Å; R108-E121 PolarHBondContact NH1-OE1 3.05Å; R108-E121 IonicContact NH2-OE1 3.46Å; R108-E121 PolarHBondContact NH2-OE1 3.03Å; R108-E125 IonicContact NH2-OE1 3.39Å; R108-E125 PolarHBondContact NH2-OE1 3.47Å
109K88.5Confident91.3Very high153 Ų15384 Ų8467%0.66542%0.419SS*.Hα-helixtrans-55.5-46.8177.5-176.8177.2179.2178.10112.3D72 T107 S113D72-K109 PolarHBondContact OD1-N 3.46Å; T107-K109 VanDerWaalsContact C-N 3.3Å; T107-K109 PolarHBondContact O-N 3.01Å; K109-S113 WeakPolarHBondContact O-CB 3.42Å; K109-S113 PolarHBondContact O-N 3.48Å; K109-S113 PolarHBondContact O-OG 3.19Å
110Q91.6Very high91.1Very high95 Ų9585.4 Ų85.444%0.44443%0.431SS..Hα-helixtrans-63.6-45.3177.6-76171.8-31.700111.3P106 T107 R108 I112 S113 H114P106-Q110 HydrophobicContact CB-CB 3.78Å; T107-Q110 PolarHBondContact O-N 3.24Å; T107-Q110 WeakPolarHBondContact OG1-CG 3.35Å; T107-Q110 PolarHBondContact OG1-N 3.01Å; T107-Q110 PolarHBondContact OG1-OE1 3.1Å; R108-Q110 VanDerWaalsContact C-N 3.33Å; R108-Q110 PolarHBondContact O-N 3.07Å; Q110-I112 PolarHBondContact O-N 3.5Å; Q110-S113 WeakPolarHBondContact CA-OG 3.43Å; Q110-S113 PolarHBondContact O-N 3.23Å; Q110-S113 PolarHBondContact O-OG 3.41Å; Q110-H114 PolarHBondContact O-CD2 3.21Å; Q110-H114 PolarHBondContact O-N 3.28Å
111L91Very high90.7Very high38 Ų3883.6 Ų83.620%0.19942%0.419CS..Hα-helixtrans-60.6-46.9179.3-170.863.9000112F62 I66 P106 T107 R108 S113 H114 L115F62-L111 HydrophobicContact CZ-CD2 4.48Å; I66-L111 HydrophobicContact CD1-CD2 3.36Å; I66-L111 HydrophobicContact CG1-CD2 4.34Å; I66-L111 HydrophobicContact CG2-CD2 4.38Å; P106-L111 HydrophobicContact CG-CB 4.22Å; P106-L111 HydrophobicContact CG-CD1 4.16Å; T107-L111 WeakPolarHBondContact O-CB 3.23Å; T107-L111 PolarHBondContact O-N 3.43Å; R108-L111 PolarHBondContact O-N 3.25Å; L111-S113 VanDerWaalsContact C-N 3.35Å; L111-S113 PolarHBondContact O-N 2.85Å; L111-H114 PolarHBondContact O-N 2.71Å; L111-L115 WeakPolarHBondContact O-CG 3.38Å; L111-L115 PolarHBondContact O-N 2.99Å; L111-L115 VanDerWaalsContact O-N 3.12Å
112I89.6Confident90.5Very high11 Ų1184.5 Ų84.56%0.05643%0.427CS..Hα-helixtrans-61.5-44176.5-69.5177.6000110.5R108 Q110 H114 L115 S116 E121 T124R108-I112 HydrophobicContact CG-CD1 3.85Å; R108-I112 HydrophobicContact CG-CG1 4.38Å; R108-I112 WeakPolarHBondContact O-CG1 3.41Å; R108-I112 PolarHBondContact O-N 3.1Å; Q110-I112 PolarHBondContact O-N 3.5Å; I112-H114 VanDerWaalsContact C-N 3.25Å; I112-H114 PolarHBondContact O-N 3.39Å; I112-L115 WeakPolarHBondContact O-CB 3.31Å; I112-L115 PolarHBondContact O-N 2.93Å; I112-L115 VanDerWaalsContact O-N 3.09Å; I112-S116 PolarHBondContact O-N 2.88Å; I112-E121 HydrophobicContact CD1-CG 4.38Å; I112-E121 HydrophobicContact CG2-CG 4.42Å; I112-T124 HydrophobicContact CG2-CG2 3.89Å
113S87.7Confident90.4Very high55 Ų5588.8 Ų88.839%0.38545%0.446SS..Hα-helixtrans-63.4-30.517766.90000113.4K109 Q110 L111 S116 E117K109-S113 WeakPolarHBondContact O-CB 3.42Å; K109-S113 PolarHBondContact O-N 3.48Å; K109-S113 PolarHBondContact O-OG 3.19Å; Q110-S113 WeakPolarHBondContact CA-OG 3.43Å; Q110-S113 PolarHBondContact O-N 3.23Å; Q110-S113 PolarHBondContact O-OG 3.41Å; L111-S113 VanDerWaalsContact C-N 3.35Å; L111-S113 PolarHBondContact O-N 2.85Å; S113-S116 CarbonylContact O-C 3.26Å; S113-S116 VanDerWaalsContact O-C 3.26Å; S113-E117 PolarHBondContact O-N 2.95Å
114H88.3Confident90.3Very high135 Ų13581.6 Ų81.663%0.62542%0.419SS*.Hα-helixtrans-74.7-25.8174.7-72.8-51.9000113.2Q110 L111 I112Q110-H114 PolarHBondContact O-CD2 3.21Å; Q110-H114 PolarHBondContact O-N 3.28Å; L111-H114 PolarHBondContact O-N 2.71Å; I112-H114 VanDerWaalsContact C-N 3.25Å; I112-H114 PolarHBondContact O-N 3.39Å
115L87.6Confident90.3Very high104 Ų10477.6 Ų77.655%0.54539%0.392SS..Hα-helixtrans-71.4-37.2174.4-68.6175.4000111.2L111 I112 T124 M128L111-L115 WeakPolarHBondContact O-CG 3.38Å; L111-L115 PolarHBondContact O-N 2.99Å; L111-L115 VanDerWaalsContact O-N 3.12Å; I112-L115 WeakPolarHBondContact O-CB 3.31Å; I112-L115 PolarHBondContact O-N 2.93Å; I112-L115 VanDerWaalsContact O-N 3.09Å; L115-T124 HydrophobicContact CB-CG2 4.05Å; L115-T124 HydrophobicContact CD1-CG2 4.32Å; L115-M128 HydrophobicContact CD1-CE 4.4Å; L115-M128 HydrophobicContact CD1-CG 4.15Å; L115-M128 HydrophobicContact CD1-SD 3.94Å
116S85.3Confident90.3Very high27 Ų2779 Ų7919%0.18940%0.397CS..  trans-157116172.5-173.90000112.2I112 S113 R118 L119I112-S116 PolarHBondContact O-N 2.88Å; S113-S116 CarbonylContact O-C 3.26Å; S113-S116 VanDerWaalsContact O-C 3.26Å; S116-R118 PolarHBondContact O-N 3.44Å; S116-R118 PolarHBondContact OG-N 3.39Å; S116-L119 VanDerWaalsContact OG-CB 3.32Å; S116-L119 WeakPolarHBondContact OG-CB 3.03Å; S116-L119 WeakPolarHBondContact OG-CD1 3.34Å; S116-L119 WeakPolarHBondContact OG-CG 3.3Å; S116-L119 PolarHBondContact OG-N 3.42Å
117E81.5Confident90.4Very high180 Ų18080.9 Ų80.984%0.84140%0.403SS*.SBendtrans-74.7-16173.6-64179.9176.200112.7S113S113-E117 PolarHBondContact O-N 2.95Å
118R88Confident90.6Very high239 Ų23978.7 Ų78.790%0.90239%0.39SS*.SBendtrans-107.5-13.8-170.7-64.8-177.2-178.7155.11.4114.3S116S116-R118 PolarHBondContact O-N 3.44Å; S116-R118 PolarHBondContact OG-N 3.39Å
119L90Very high90.8Very high63 Ų6381.5 Ų81.533%0.3340%0.403SS..SBendtrans-100.1150.2-177.4-64.8175000110.5S116 E123 I127S116-L119 VanDerWaalsContact OG-CB 3.32Å; S116-L119 WeakPolarHBondContact OG-CB 3.03Å; S116-L119 WeakPolarHBondContact OG-CD1 3.34Å; S116-L119 WeakPolarHBondContact OG-CG 3.3Å; S116-L119 PolarHBondContact OG-N 3.42Å; L119-E123 HydrophobicContact CB-CB 3.96Å; L119-E123 HydrophobicContact CD1-CB 4.48Å; L119-E123 HydrophobicContact CD2-CB 4.19Å; L119-E123 HydrophobicContact CG-CB 4.43Å; L119-I127 HydrophobicContact CD1-CD1 3.34Å
120S91.1Very high91.3Very high56 Ų5679 Ų7939%0.39239%0.394SS..  trans-63.2162.1165.765.60000111A122 E123 T124S120-A122 PolarHBondContact O-N 2.67Å; S120-E123 VanDerWaalsContact CB-OE2 3.29Å; S120-E123 WeakPolarHBondContact CB-OE2 3.24Å; S120-E123 PolarHBondContact N-OE2 3.47Å; S120-E123 PolarHBondContact O-N 2.78Å; S120-E123 VanDerWaalsContact OG-CG 3.29Å; S120-E123 WeakPolarHBondContact OG-CG 3.46Å; S120-E123 PolarHBondContact OG-N 3.45Å; S120-E123 PolarHBondContact OG-OE2 3.03Å; S120-T124 PolarHBondContact O-N 2.8Å; S120-T124 PolarHBondContact O-OG1 3.26Å
121E89.5Confident91.5Very high90 Ų9077.2 Ų77.242%0.42139%0.389SS..Hα-helixtrans-58.9-39.1174.6-176.4171.217000111.3R108 I112 T124 E125R108-E121 IonicContact CZ-OE1 3.85Å; R108-E121 VanDerWaalsContact CZ-OE1 3.24Å; R108-E121 IonicContact NH1-OE1 4Å; R108-E121 PolarHBondContact NH1-OE1 3.05Å; R108-E121 IonicContact NH2-OE1 3.46Å; R108-E121 PolarHBondContact NH2-OE1 3.03Å; I112-E121 HydrophobicContact CD1-CG 4.38Å; I112-E121 HydrophobicContact CG2-CG 4.42Å; E121-T124 PolarHBondContact O-N 3.06Å; E121-E125 HydrophobicContact CG-CG 4.42Å; E121-E125 WeakPolarHBondContact O-CB 3.31Å; E121-E125 WeakPolarHBondContact O-CG 3.14Å; E121-E125 PolarHBondContact O-N 3.39Å
122A92.1Very high91.9Very high70 Ų7076.1 Ų76.158%0.57938%0.384SS*.Hα-helixtrans-65.1-42.8178.600000112.8S120 T124 E125 Q126S120-A122 PolarHBondContact O-N 2.67Å; A122-T124 VanDerWaalsContact C-N 3.35Å; A122-E125 PolarHBondContact O-N 2.51Å; A122-Q126 WeakPolarHBondContact O-CB 3.31Å; A122-Q126 PolarHBondContact O-N 2.96Å
123E94.1Very high92.3Very high99 Ų9978.9 Ų78.946%0.46340%0.401SS..Hα-helixtrans-65.5-39.5174.9-72.4164.2127.100111.5L119 S120 Q126 I127L119-E123 HydrophobicContact CB-CB 3.96Å; L119-E123 HydrophobicContact CD1-CB 4.48Å; L119-E123 HydrophobicContact CD2-CB 4.19Å; L119-E123 HydrophobicContact CG-CB 4.43Å; S120-E123 VanDerWaalsContact CB-OE2 3.29Å; S120-E123 WeakPolarHBondContact CB-OE2 3.24Å; S120-E123 PolarHBondContact N-OE2 3.47Å; S120-E123 PolarHBondContact O-N 2.78Å; S120-E123 VanDerWaalsContact OG-CG 3.29Å; S120-E123 WeakPolarHBondContact OG-CG 3.46Å; S120-E123 PolarHBondContact OG-N 3.45Å; S120-E123 PolarHBondContact OG-OE2 3.03Å; E123-Q126 PolarHBondContact O-N 2.92Å; E123-I127 WeakPolarHBondContact O-CG1 3.04Å; E123-I127 PolarHBondContact O-N 3.45Å
124T93.7Very high92.8Very high6 Ų682.1 Ų82.14%0.03741%0.41CS..Hα-helixtrans-66.1-43.5176.7-53.60000111I112 L115 S120 E121 A122 Q126 I127 M128I112-T124 HydrophobicContact CG2-CG2 3.89Å; L115-T124 HydrophobicContact CB-CG2 4.05Å; L115-T124 HydrophobicContact CD1-CG2 4.32Å; S120-T124 PolarHBondContact O-N 2.8Å; S120-T124 PolarHBondContact O-OG1 3.26Å; E121-T124 PolarHBondContact O-N 3.06Å; A122-T124 VanDerWaalsContact C-N 3.35Å; T124-Q126 VanDerWaalsContact C-N 3.29Å; T124-Q126 PolarHBondContact O-N 2.97Å; T124-I127 PolarHBondContact O-N 3.18Å; T124-M128 HydrophobicContact CG2-SD 4.4Å; T124-M128 VanDerWaalsContact O-CG 3.25Å; T124-M128 WeakPolarHBondContact O-CG 3.21Å; T124-M128 PolarHBondContact O-N 3.26Å
125E93.9Very high93.2Very high34 Ų3476.9 Ų76.916%0.15939%0.388CS..Hα-helixtrans-60.7-38.4174.4-76.7-17917500111.7R67 K70 R108 E121 A122 M128 H129R67-E125 WeakPolarHBondContact CD-O 3.04Å; R67-E125 HydrophobicContact CG-CB 4.02Å; R67-E125 HydrophobicContact CG-CG 4.11Å; K70-E125 IonicContact NZ-OE1 3.87Å; K70-E125 PolarHBondContact NZ-OE1 3.27Å; K70-E125 IonicContact NZ-OE2 2.83Å; K70-E125 PolarHBondContact NZ-OE2 3.28Å; R108-E125 IonicContact NH2-OE1 3.39Å; R108-E125 PolarHBondContact NH2-OE1 3.47Å; E121-E125 HydrophobicContact CG-CG 4.42Å; E121-E125 WeakPolarHBondContact O-CB 3.31Å; E121-E125 WeakPolarHBondContact O-CG 3.14Å; E121-E125 PolarHBondContact O-N 3.39Å; A122-E125 PolarHBondContact O-N 2.51Å; E125-M128 WeakPolarHBondContact O-CB 3.35Å; E125-M128 PolarHBondContact O-N 3.35Å; E125-H129 PolarHBondContact O-N 2.94Å
126Q95.4Very high93.7Very high96 Ų9674.4 Ų74.445%0.44938%0.378SS..Hα-helixtrans-64-46.7176179.656.930.600111.8A122 E123 T124 M128 H129 E130A122-Q126 WeakPolarHBondContact O-CB 3.31Å; A122-Q126 PolarHBondContact O-N 2.96Å; E123-Q126 PolarHBondContact O-N 2.92Å; T124-Q126 VanDerWaalsContact C-N 3.29Å; T124-Q126 PolarHBondContact O-N 2.97Å; Q126-M128 VanDerWaalsContact C-N 3.31Å; Q126-M128 PolarHBondContact O-N 3.29Å; Q126-H129 WeakPolarHBondContact O-CB 3.42Å; Q126-H129 PolarHBondContact O-N 3.31Å; Q126-H129 VanDerWaalsContact O-N 3.15Å; Q126-E130 PolarHBondContact NE2-OE1 3.29Å; Q126-E130 PolarHBondContact O-N 2.89Å
127I95.6Very high94.3Very high81 Ų8174.3 Ų74.342%0.41538%0.378SS..Hα-helixtrans-62-41.3175.5-66.8171.3000110.9L119 E123 T124 H129 E130 V131L119-I127 HydrophobicContact CD1-CD1 3.34Å; E123-I127 WeakPolarHBondContact O-CG1 3.04Å; E123-I127 PolarHBondContact O-N 3.45Å; T124-I127 PolarHBondContact O-N 3.18Å; I127-H129 VanDerWaalsContact C-N 3.27Å; I127-H129 PolarHBondContact O-N 2.91Å; I127-E130 PolarHBondContact O-N 3.43Å; I127-V131 HydrophobicContact CG2-CG2 4.32Å; I127-V131 WeakPolarHBondContact O-CG2 3.32Å; I127-V131 PolarHBondContact O-N 2.88Å
128M95.8Very high95.1Very high10 Ų1068.9 Ų68.95%0.04936%0.358CS..Hα-helixtrans-58.2-41.7175.5-72.8174.876.400111.4I63 I66 R67 L115 T124 E125 Q126 V131 V132I63-M128 HydrophobicContact CB-CE 4.47Å; I63-M128 HydrophobicContact CG2-CB 3.77Å; I63-M128 HydrophobicContact CG2-CE 3.7Å; I63-M128 HydrophobicContact CG2-CG 4.04Å; I63-M128 WeakPolarHBondContact O-CE 3.33Å; I66-M128 HydrophobicContact CB-CE 3.95Å; I66-M128 HydrophobicContact CG2-CE 3.89Å; R67-M128 HydrophobicContact CB-CB 4.34Å; R67-M128 HydrophobicContact CB-CE 3.94Å; R67-M128 HydrophobicContact CB-SD 4.39Å; R67-M128 HydrophobicContact CG-CB 4.18Å; L115-M128 HydrophobicContact CD1-CE 4.4Å; L115-M128 HydrophobicContact CD1-CG 4.15Å; L115-M128 HydrophobicContact CD1-SD 3.94Å; T124-M128 HydrophobicContact CG2-SD 4.4Å; T124-M128 VanDerWaalsContact O-CG 3.25Å; T124-M128 WeakPolarHBondContact O-CG 3.21Å; T124-M128 PolarHBondContact O-N 3.26Å; E125-M128 WeakPolarHBondContact O-CB 3.35Å; E125-M128 PolarHBondContact O-N 3.35Å; Q126-M128 VanDerWaalsContact C-N 3.31Å; Q126-M128 PolarHBondContact O-N 3.29Å; M128-V131 PolarHBondContact O-N 3.24Å; M128-V132 VanDerWaalsContact O-CG2 3.22Å; M128-V132 WeakPolarHBondContact O-CG2 3.27Å; M128-V132 PolarHBondContact O-N 3.39Å
129H97.3Very high95.6Very high70 Ų7058.9 Ų58.932%0.32432%0.321SS..Hα-helixtrans-62.8-46.4176-178.654.7000111.9E125 Q126 I127 V131 V132 V133E125-H129 PolarHBondContact O-N 2.94Å; Q126-H129 WeakPolarHBondContact O-CB 3.42Å; Q126-H129 PolarHBondContact O-N 3.31Å; Q126-H129 VanDerWaalsContact O-N 3.15Å; I127-H129 VanDerWaalsContact C-N 3.27Å; I127-H129 PolarHBondContact O-N 2.91Å; H129-V131 PolarHBondContact O-N 3.03Å; H129-V132 WeakPolarHBondContact O-CB 3.26Å; H129-V132 PolarHBondContact O-N 3.46Å; H129-V132 VanDerWaalsContact O-N 3.16Å; H129-V133 WeakPolarHBondContact O-CG2 3.45Å; H129-V133 PolarHBondContact O-N 3.17Å
130E97.5Very high96Very high100 Ų10061.1 Ų61.147%0.46733%0.329SS..Hα-helixtrans-60.3-44.1177.6-71.3168.9-163.400111.8Q126 I127 V132 V133 E134Q126-E130 PolarHBondContact NE2-OE1 3.29Å; Q126-E130 PolarHBondContact O-N 2.89Å; I127-E130 PolarHBondContact O-N 3.43Å; E130-V132 VanDerWaalsContact C-N 3.33Å; E130-V132 PolarHBondContact O-N 3.34Å; E130-V133 PolarHBondContact O-N 3.06Å; E130-E134 WeakPolarHBondContact O-CG 3.46Å; E130-E134 PolarHBondContact O-N 3.37Å
131V96.9Very high96.3Very high58 Ų5866.3 Ų66.335%0.35234%0.34SS..Hα-helixtrans-59.6-44.2174.3170.40000111.1I63 I127 M128 H129 V133 E134 C135I63-V131 HydrophobicContact CD1-CG1 4.08Å; I127-V131 HydrophobicContact CG2-CG2 4.32Å; I127-V131 WeakPolarHBondContact O-CG2 3.32Å; I127-V131 PolarHBondContact O-N 2.88Å; M128-V131 PolarHBondContact O-N 3.24Å; H129-V131 PolarHBondContact O-N 3.03Å; V131-V133 PolarHBondContact O-N 3.49Å; V131-E134 PolarHBondContact O-N 3.4Å; V131-C135 VanDerWaalsContact O-CB 3.28Å; V131-C135 WeakPolarHBondContact O-CB 3.35Å; V131-C135 PolarHBondContact O-N 2.96Å; V131-C135 PolarHBondContact O-SG 3.39Å
132V98.2Very high96.7Very high14 Ų1462.9 Ų62.99%0.08533%0.326CS..Hα-helixtrans-61.7-43.9177.7168.70000111.2I63 E64 M128 H129 E130 T136I63-V132 HydrophobicContact CB-CG2 3.92Å; I63-V132 HydrophobicContact CG2-CG2 3.59Å; E64-V132 HydrophobicContact CB-CG1 4.02Å; E64-V132 HydrophobicContact CB-CG2 3.88Å; E64-V132 HydrophobicContact CG-CG1 4.3Å; M128-V132 VanDerWaalsContact O-CG2 3.22Å; M128-V132 WeakPolarHBondContact O-CG2 3.27Å; M128-V132 PolarHBondContact O-N 3.39Å; H129-V132 WeakPolarHBondContact O-CB 3.26Å; H129-V132 PolarHBondContact O-N 3.46Å; H129-V132 VanDerWaalsContact O-N 3.16Å; E130-V132 VanDerWaalsContact C-N 3.33Å; E130-V132 PolarHBondContact O-N 3.34Å; V132-T136 VanDerWaalsContact O-CB 3.26Å; V132-T136 WeakPolarHBondContact O-CB 3.4Å; V132-T136 PolarHBondContact O-N 3.09Å; V132-T136 PolarHBondContact O-OG1 3.22Å
133V98.4Very high97Very high69 Ų6961.8 Ų61.842%0.41831%0.31SS..Hα-helixtrans-59.9-49.6177.61700000110.6H129 E130 V131 T136 A137H129-V133 WeakPolarHBondContact O-CG2 3.45Å; H129-V133 PolarHBondContact O-N 3.17Å; E130-V133 PolarHBondContact O-N 3.06Å; V131-V133 PolarHBondContact O-N 3.49Å; V133-T136 PolarHBondContact O-N 3.17Å; V133-A137 WeakPolarHBondContact O-CB 3.32Å; V133-A137 PolarHBondContact O-N 2.95Å
134E98.2Very high97.2Very high123 Ų12363.6 Ų63.658%0.57531%0.313SS*.Hα-helixtrans-66.9-44.1-179.3-68.7-57144.200112.5E130 V131 T136 A137 V138E130-E134 WeakPolarHBondContact O-CG 3.46Å; E130-E134 PolarHBondContact O-N 3.37Å; V131-E134 PolarHBondContact O-N 3.4Å; E134-T136 VanDerWaalsContact C-N 3.29Å; E134-T136 PolarHBondContact O-N 3.28Å; E134-A137 PolarHBondContact O-N 3.33Å; E134-V138 WeakPolarHBondContact O-CG2 3.33Å; E134-V138 PolarHBondContact O-N 3.41Å
135C98.1Very high97.4Very high25 Ų2565 Ų6517%0.16932%0.32CS..Hα-helixtrans-61-39.6175.6-72.50000111.8L56 A60 V131 V138 F139L56-C135 HydrophobicContact CD1-CB 3.97Å; L56-C135 HydrophobicContact CG-CB 4.4Å; A60-C135 HydrophobicContact CB-CB 3.91Å; V131-C135 VanDerWaalsContact O-CB 3.28Å; V131-C135 WeakPolarHBondContact O-CB 3.35Å; V131-C135 PolarHBondContact O-N 2.96Å; V131-C135 PolarHBondContact O-SG 3.39Å; C135-V138 PolarHBondContact O-N 3.16Å; C135-F139 VanDerWaalsContact O-CB 3.28Å; C135-F139 WeakPolarHBondContact O-CB 3.42Å; C135-F139 PolarHBondContact O-N 3.36Å
136T97.9Very high97.6Very high53 Ų5363.4 Ų63.433%0.32531%0.312SS..Hα-helixtrans-66.3-44.9177.2-57.10000110.7V132 V133 E134 V138 F139 E140V132-T136 VanDerWaalsContact O-CB 3.26Å; V132-T136 WeakPolarHBondContact O-CB 3.4Å; V132-T136 PolarHBondContact O-N 3.09Å; V132-T136 PolarHBondContact O-OG1 3.22Å; V133-T136 PolarHBondContact O-N 3.17Å; E134-T136 VanDerWaalsContact C-N 3.29Å; E134-T136 PolarHBondContact O-N 3.28Å; T136-V138 VanDerWaalsContact C-N 3.35Å; T136-V138 PolarHBondContact O-N 2.8Å; T136-F139 WeakPolarHBondContact O-CB 3.15Å; T136-F139 PolarHBondContact O-N 3.45Å; T136-E140 HydrophobicContact CG2-CG 4.41Å; T136-E140 WeakPolarHBondContact O-CG 3.22Å; T136-E140 PolarHBondContact O-N 2.77Å
137A98.2Very high97.6Very high24 Ų2464.2 Ų64.220%0.19832%0.319CS..Hα-helixtrans-61.5-41177.100000112.5V133 E134 R141V133-A137 WeakPolarHBondContact O-CB 3.32Å; V133-A137 PolarHBondContact O-N 2.95Å; E134-A137 PolarHBondContact O-N 3.33Å; A137-R141 WeakPolarHBondContact O-CD 3.43Å; A137-R141 VanDerWaalsContact O-CG 3.23Å; A137-R141 WeakPolarHBondContact O-CG 3.34Å; A137-R141 PolarHBondContact O-N 3.42Å
138V98Very high97.7Very high67 Ų6766.1 Ų66.141%0.40633%0.326SS..Hα-helixtrans-65.5-46.6174171.50000110.9L56 E134 C135 T136 E140 R141 V142L56-V138 HydrophobicContact CD2-CG1 4.14Å; E134-V138 WeakPolarHBondContact O-CG2 3.33Å; E134-V138 PolarHBondContact O-N 3.41Å; C135-V138 PolarHBondContact O-N 3.16Å; T136-V138 VanDerWaalsContact C-N 3.35Å; T136-V138 PolarHBondContact O-N 2.8Å; V138-E140 PolarHBondContact O-N 3.18Å; V138-R141 PolarHBondContact O-N 2.97Å; V138-V142 HydrophobicContact CG1-CG2 4.36Å; V138-V142 WeakPolarHBondContact O-CG2 3.39Å; V138-V142 PolarHBondContact O-N 2.97Å
139F98.1Very high97.6Very high29 Ų2970 Ų7013%0.12734%0.343CS..Hα-helixtrans-55.3-54.5177.3179.6-87.7000110.3H53 L56 Q57 C135 T136 R141 V142 D143H53-F139 AromaticContact CD2-CE2 3.83Å; H53-F139 AromaticContact CE1-CD2 3.04Å; H53-F139 WeakPolarHBondContact CE1-CD2 3.4Å; H53-F139 AromaticContact CE1-CE2 3.11Å; H53-F139 WeakPolarHBondContact CE1-CE2 3.33Å; H53-F139 AromaticContact CE1-CG 3.54Å; H53-F139 AromaticContact CE1-CZ 3.68Å; H53-F139 PolarHBondContact CE1-O 3.49Å; H53-F139 AromaticContact ND1-CD2 3.37Å; H53-F139 WeakPolarHBondContact ND1-CD2 3.46Å; H53-F139 AromaticContact ND1-CE2 3.65Å; H53-F139 AromaticContact NE2-CD2 3.71Å; H53-F139 AromaticContact NE2-CE2 3.23Å; H53-F139 WeakPolarHBondContact NE2-CE2 3.45Å; H53-F139 AromaticContact NE2-CZ 3.55Å; L56-F139 HydrophobicContact CD2-CB 4.39Å; Q57-F139 HydrophobicContact CB-CD2 3.84Å; Q57-F139 HydrophobicContact CB-CE2 3.48Å; Q57-F139 VanDerWaalsContact CB-CE2 3.48Å; Q57-F139 HydrophobicContact CB-CZ 4.07Å; Q57-F139 VanDerWaalsContact CD-CZ 3.44Å; Q57-F139 HydrophobicContact CG-CD2 4.24Å; Q57-F139 HydrophobicContact CG-CE1 4.36Å; Q57-F139 HydrophobicContact CG-CE2 3.8Å; Q57-F139 HydrophobicContact CG-CZ 3.86Å; C135-F139 VanDerWaalsContact O-CB 3.28Å; C135-F139 WeakPolarHBondContact O-CB 3.42Å; C135-F139 PolarHBondContact O-N 3.36Å; T136-F139 WeakPolarHBondContact O-CB 3.15Å; T136-F139 PolarHBondContact O-N 3.45Å; F139-R141 VanDerWaalsContact C-N 3.33Å; F139-R141 PolarHBondContact O-N 2.68Å; F139-V142 PolarHBondContact O-N 3.4Å; F139-D143 HydrophobicContact CD1-CB 4.44Å; F139-D143 HydrophobicContact CE1-CB 4.18Å; F139-D143 WeakPolarHBondContact O-CB 3.47Å; F139-D143 PolarHBondContact O-N 3.13Å
140E98Very high97.4Very high109 Ų10974.9 Ų74.951%0.50937%0.366SS..Hα-helixtrans-59.4-40.1-178.4-71176.9172.400113.4T136 V138 R144T136-E140 HydrophobicContact CG2-CG 4.41Å; T136-E140 WeakPolarHBondContact O-CG 3.22Å; T136-E140 PolarHBondContact O-N 2.77Å; V138-E140 PolarHBondContact O-N 3.18Å; E140-R144 WeakPolarHBondContact O-CB 3.25Å; E140-R144 PolarHBondContact O-N 3.34Å; E140-R144 VanDerWaalsContact O-N 3.07Å
141R98Very high97.3Very high165 Ų16570.6 Ų70.662%0.62335%0.346SS*.Hα-helixtrans-64.8-45.7177.2-72.7171.9-173.7173.35.1111.6A137 V138 F139 L145A137-R141 WeakPolarHBondContact O-CD 3.43Å; A137-R141 VanDerWaalsContact O-CG 3.23Å; A137-R141 WeakPolarHBondContact O-CG 3.34Å; A137-R141 PolarHBondContact O-N 3.42Å; V138-R141 PolarHBondContact O-N 2.97Å; F139-R141 VanDerWaalsContact C-N 3.33Å; F139-R141 PolarHBondContact O-N 2.68Å; R141-L145 PolarHBondContact O-N 3.49Å
142V98Very high97.2Very high18 Ų1869.9 Ų69.911%0.10934%0.339CS..Hα-helixtrans-69.1-42.3178.61730000110.5V22 L49 H53 V138 F139 R144 L145 Y146V22-V142 HydrophobicContact CG1-CG1 4.36Å; V22-V142 HydrophobicContact CG2-CG2 4.4Å; L49-V142 HydrophobicContact CD2-CG1 4.5Å; H53-V142 HydrophobicContact CB-CG1 4.48Å; V138-V142 HydrophobicContact CG1-CG2 4.36Å; V138-V142 WeakPolarHBondContact O-CG2 3.39Å; V138-V142 PolarHBondContact O-N 2.97Å; F139-V142 PolarHBondContact O-N 3.4Å; V142-R144 VanDerWaalsContact C-N 3.29Å; V142-R144 PolarHBondContact O-N 3.05Å; V142-L145 WeakPolarHBondContact O-CB 3.49Å; V142-L145 PolarHBondContact O-N 3.07Å; V142-Y146 HydrophobicContact CG1-CD2 3.71Å; V142-Y146 HydrophobicContact CG1-CE2 3.58Å; V142-Y146 WeakPolarHBondContact O-CD2 3.39Å; V142-Y146 PolarHBondContact O-N 2.69Å
143D97.8Very high96.9Very high47 Ų4776.4 Ų76.425%0.25137%0.373SS..Hα-helixtrans-58.8-41.1179.8-159.167.2000111.7H53 F139 L145 Y146 L147 H152H53-D143 IonicContact CD2-OD1 3.73Å; H53-D143 IonicContact CE1-OD1 4Å; H53-D143 IonicContact NE2-OD1 2.72Å; H53-D143 PolarHBondContact NE2-OD1 3.38Å; F139-D143 HydrophobicContact CD1-CB 4.44Å; F139-D143 HydrophobicContact CE1-CB 4.18Å; F139-D143 WeakPolarHBondContact O-CB 3.47Å; F139-D143 PolarHBondContact O-N 3.13Å; D143-L145 VanDerWaalsContact C-N 3.34Å; D143-L145 PolarHBondContact O-N 3.48Å; D143-Y146 PolarHBondContact O-N 3.19Å; D143-L147 WeakPolarHBondContact O-CB 3.42Å; D143-L147 PolarHBondContact O-N 2.72Å; D143-H152 VanDerWaalsContact CG-NE2 3.31Å; D143-H152 PolarHBondContact O-CE1 2.92Å; D143-H152 VanDerWaalsContact O-CE1 3.27Å; D143-H152 IonicContact OD1-CD2 2.72Å; D143-H152 IonicContact OD1-CE1 2.81Å; D143-H152 IonicContact OD1-NE2 3.24Å; D143-H152 PolarHBondContact OD1-NE2 2.77Å; D143-H152 IonicContact OD2-CE1 3.87Å; D143-H152 IonicContact OD2-NE2 2.87Å; D143-H152 PolarHBondContact OD2-NE2 2.82Å
144R98.1Very high96.3Very high138 Ų13873.3 Ų73.352%0.52135%0.354SS..Hα-helixtrans-59.2-42.5173.6-169.6-175.9-58.11337112.4E140 V142 Y146 L147 E148E140-R144 WeakPolarHBondContact O-CB 3.25Å; E140-R144 PolarHBondContact O-N 3.34Å; E140-R144 VanDerWaalsContact O-N 3.07Å; V142-R144 VanDerWaalsContact C-N 3.29Å; V142-R144 PolarHBondContact O-N 3.05Å; R144-Y146 VanDerWaalsContact C-N 3.34Å; R144-Y146 PolarHBondContact O-N 2.69Å; R144-L147 WeakPolarHBondContact O-CB 3.46Å; R144-L147 PolarHBondContact O-N 2.85Å; R144-E148 HydrophobicContact CG-CG 4.44Å; R144-E148 WeakPolarHBondContact CG-OE1 3.34Å; R144-E148 WeakPolarHBondContact O-CB 3.38Å; R144-E148 VanDerWaalsContact O-CG 3.3Å; R144-E148 WeakPolarHBondContact O-CG 3.46Å; R144-E148 PolarHBondContact O-N 3.13Å
145L97.9Very high95Very high35 Ų3572.7 Ų72.718%0.18336%0.361CS..Hα-helixtrans-65.2-38.6177.6-62.6172.9000111.9V22 Q23 L26 R141 V142 D143 L147 K149V22-L145 HydrophobicContact CB-CD1 4.07Å; V22-L145 HydrophobicContact CG1-CD1 3.75Å; Q23-L145 HydrophobicContact CB-CD1 4.28Å; Q23-L145 HydrophobicContact CB-CD2 4.35Å; Q23-L145 HydrophobicContact CG-CD2 4.21Å; L26-L145 HydrophobicContact CD1-CB 3.65Å; R141-L145 PolarHBondContact O-N 3.49Å; V142-L145 WeakPolarHBondContact O-CB 3.49Å; V142-L145 PolarHBondContact O-N 3.07Å; D143-L145 VanDerWaalsContact C-N 3.34Å; D143-L145 PolarHBondContact O-N 3.48Å; L145-L147 VanDerWaalsContact C-N 3.34Å; L145-K149 WeakPolarHBondContact O-CG 3.47Å; L145-K149 PolarHBondContact O-N 3.02Å
146Y97.7Very high94.9Very high0 Ų075.1 Ų75.10%037%0.371CS..Hα-helixtrans-65.5-37.8172.5-83.4-88.5000111.7L26 S46 L49 L50 V142 D143 R144 K149 Q150 L151 I154L26-Y146 HydrophobicContact CD1-CD2 4.39Å; L26-Y146 HydrophobicContact CD1-CE2 4.37Å; L26-Y146 HydrophobicContact CD2-CE1 3.96Å; L26-Y146 HydrophobicContact CD2-CE2 4.39Å; S46-Y146 PolarHBondContact O-OH 3.35Å; L49-Y146 VanDerWaalsContact CB-OH 3.31Å; L49-Y146 WeakPolarHBondContact CB-OH 3.38Å; L49-Y146 HydrophobicContact CD2-CE2 4.23Å; L49-Y146 HydrophobicContact CG-CE2 4.4Å; L50-Y146 HydrophobicContact CB-CD1 4.5Å; L50-Y146 HydrophobicContact CB-CE1 3.7Å; L50-Y146 HydrophobicContact CD1-CD1 3.82Å; L50-Y146 HydrophobicContact CD1-CE1 3.86Å; L50-Y146 HydrophobicContact CD1-CG 4.27Å; L50-Y146 HydrophobicContact CD2-CE1 4.4Å; L50-Y146 HydrophobicContact CG-CE1 4.18Å; L50-Y146 PolarHBondContact N-OH 3.08Å; V142-Y146 HydrophobicContact CG1-CD2 3.71Å; V142-Y146 HydrophobicContact CG1-CE2 3.58Å; V142-Y146 WeakPolarHBondContact O-CD2 3.39Å; V142-Y146 PolarHBondContact O-N 2.69Å; D143-Y146 PolarHBondContact O-N 3.19Å; R144-Y146 VanDerWaalsContact C-N 3.34Å; R144-Y146 PolarHBondContact O-N 2.69Å; Y146-K149 CarbonylContact O-C 3.57Å; Y146-K149 PolarHBondContact O-N 3.12Å; Y146-Q150 PolarHBondContact O-N 3.2Å; Y146-L151 HydrophobicContact CD1-CB 3.46Å; Y146-L151 VanDerWaalsContact CD1-CB 3.46Å; Y146-L151 HydrophobicContact CE1-CB 4.1Å; Y146-L151 HydrophobicContact CG-CB 4.36Å; Y146-L151 PolarHBondContact O-N 2.88Å; Y146-I154 HydrophobicContact CE1-CD1 4.34Å
147L96.9Very high94.7Very high114 Ų11476.3 Ų76.360%0.59737%0.373SS*.Hα-helixtrans-66.4-50.6179.7-177.363.1000111D143 R144 L145 K149 Q150 H152D143-L147 WeakPolarHBondContact O-CB 3.42Å; D143-L147 PolarHBondContact O-N 2.72Å; R144-L147 WeakPolarHBondContact O-CB 3.46Å; R144-L147 PolarHBondContact O-N 2.85Å; L145-L147 VanDerWaalsContact C-N 3.34Å; L147-K149 PolarHBondContact O-N 2.91Å; L147-K149 VanDerWaalsContact O-N 3.14Å; L147-Q150 PolarHBondContact O-N 3.22Å; L147-H152 PolarHBondContact N-CE1 3.5Å
148E96.1Very high94.5Very high121 Ų12179.2 Ų79.257%0.56538%0.383SS*.Hα-helixtrans-56.4-30.8179.2-74.8171.8-169.700112.4R144R144-E148 HydrophobicContact CG-CG 4.44Å; R144-E148 WeakPolarHBondContact CG-OE1 3.34Å; R144-E148 WeakPolarHBondContact O-CB 3.38Å; R144-E148 VanDerWaalsContact O-CG 3.3Å; R144-E148 WeakPolarHBondContact O-CG 3.46Å; R144-E148 PolarHBondContact O-N 3.13Å
149K94.2Very high94.3Very high90 Ų9079.9 Ų79.939%0.39138%0.381SS..THydrogen-bonded Turntrans-99.30.6179.3-59.1-61.8-178.2-174.10113.8V30 L145 Y146 L147 L151V30-K149 HydrophobicContact CG2-CB 4.49Å; L145-K149 WeakPolarHBondContact O-CG 3.47Å; L145-K149 PolarHBondContact O-N 3.02Å; Y146-K149 CarbonylContact O-C 3.57Å; Y146-K149 PolarHBondContact O-N 3.12Å; L147-K149 PolarHBondContact O-N 2.91Å; L147-K149 VanDerWaalsContact O-N 3.14Å; K149-L151 VanDerWaalsContact C-N 3.32Å; K149-L151 HydrophobicContact CB-CD1 3.58Å; K149-L151 HydrophobicContact CB-CG 3.58Å; K149-L151 HydrophobicContact CG-CD1 4.4Å; K149-L151 WeakPolarHBondContact O-CG 3.26Å; K149-L151 PolarHBondContact O-N 3.34Å
150Q94.3Very high94.1Very high173 Ų17383.1 Ų83.181%0.80840%0.397SS*.THydrogen-bonded Turntrans56.839.4-177.2-54.5178.622.400114Y146 L147Y146-Q150 PolarHBondContact O-N 3.2Å; L147-Q150 PolarHBondContact O-N 3.22Å
151L95.2Very high93.8Very high11 Ų1181.3 Ų81.36%0.05839%0.39CS..  trans-101.14.9-170.8-64.9-178.1000114.2L26 V30 V35 L50 Y146 K149 N153 I154L26-L151 HydrophobicContact CB-CD1 4.37Å; L26-L151 HydrophobicContact CD2-CD1 3.58Å; L26-L151 HydrophobicContact CG-CD1 4.4Å; V30-L151 HydrophobicContact CG2-CD1 3.96Å; V30-L151 HydrophobicContact CG2-CD2 4.12Å; V30-L151 HydrophobicContact CG2-CG 4.5Å; V35-L151 HydrophobicContact CG1-CD2 3.74Å; V35-L151 HydrophobicContact CG2-CD2 4.06Å; L50-L151 WeakPolarHBondContact CD2-O 3.34Å; Y146-L151 HydrophobicContact CD1-CB 3.46Å; Y146-L151 VanDerWaalsContact CD1-CB 3.46Å; Y146-L151 HydrophobicContact CE1-CB 4.1Å; Y146-L151 HydrophobicContact CG-CB 4.36Å; Y146-L151 PolarHBondContact O-N 2.88Å; K149-L151 VanDerWaalsContact C-N 3.32Å; K149-L151 HydrophobicContact CB-CD1 3.58Å; K149-L151 HydrophobicContact CB-CG 3.58Å; K149-L151 HydrophobicContact CG-CD1 4.4Å; K149-L151 WeakPolarHBondContact O-CG 3.26Å; K149-L151 PolarHBondContact O-N 3.34Å; L151-N153 PolarHBondContact O-N 3Å; L151-I154 HydrophobicContact CB-CD1 3.78Å; L151-I154 HydrophobicContact CB-CG1 4.33Å; L151-I154 HydrophobicContact CD2-CD1 4.1Å; L151-I154 HydrophobicContact CD2-CG1 4.43Å; L151-I154 HydrophobicContact CG-CD1 4.33Å; L151-I154 WeakPolarHBondContact O-CD1 3.16Å; L151-I154 VanDerWaalsContact O-CG1 3.23Å; L151-I154 WeakPolarHBondContact O-CG1 3.32Å; L151-I154 PolarHBondContact O-N 3.22Å
152H94Very high93.5Very high43 Ų4375.4 Ų75.420%0.19937%0.373CS..THydrogen-bonded Turntrans-65-20.9-179.3-76.789.4000114.9R54 D143 L147R54-H152 PolarHBondContact NH2-O 2.67Å; D143-H152 VanDerWaalsContact CG-NE2 3.31Å; D143-H152 PolarHBondContact O-CE1 2.92Å; D143-H152 VanDerWaalsContact O-CE1 3.27Å; D143-H152 IonicContact OD1-CD2 2.72Å; D143-H152 IonicContact OD1-CE1 2.81Å; D143-H152 IonicContact OD1-NE2 3.24Å; D143-H152 PolarHBondContact OD1-NE2 2.77Å; D143-H152 IonicContact OD2-CE1 3.87Å; D143-H152 IonicContact OD2-NE2 2.87Å; D143-H152 PolarHBondContact OD2-NE2 2.82Å; L147-H152 PolarHBondContact N-CE1 3.5Å
153N91Very high93.2Very high151 Ų15179.8 Ų79.881%0.80739%0.394SS*.THydrogen-bonded Turntrans-100.212-175.5-65.1-35.4000113.5L151L151-N153 PolarHBondContact O-N 3Å
154I87.6Confident92.8Very high4 Ų482.5 Ų82.52%0.02141%0.405CS..  trans-59.8134.8172.2-55.5161.9000108.7V35 M47 L50 Y146 L151V35-I154 HydrophobicContact CG1-CD1 3.45Å; V35-I154 VanDerWaalsContact CG1-CD1 3.45Å; V35-I154 HydrophobicContact CG1-CG1 3.62Å; M47-I154 HydrophobicContact CB-CG2 3.75Å; M47-I154 HydrophobicContact CE-CG2 4.06Å; M47-I154 HydrophobicContact CG-CG2 3.68Å; M47-I154 HydrophobicContact SD-CG2 4.49Å; L50-I154 HydrophobicContact CD2-CB 3.81Å; L50-I154 HydrophobicContact CD2-CD1 4.35Å; L50-I154 HydrophobicContact CD2-CG1 4.41Å; Y146-I154 HydrophobicContact CE1-CD1 4.34Å; L151-I154 HydrophobicContact CB-CD1 3.78Å; L151-I154 HydrophobicContact CB-CG1 4.33Å; L151-I154 HydrophobicContact CD2-CD1 4.1Å; L151-I154 HydrophobicContact CD2-CG1 4.43Å; L151-I154 HydrophobicContact CG-CD1 4.33Å; L151-I154 WeakPolarHBondContact O-CD1 3.16Å; L151-I154 VanDerWaalsContact O-CG1 3.23Å; L151-I154 WeakPolarHBondContact O-CG1 3.32Å; L151-I154 PolarHBondContact O-N 3.22Å
155P70.5Confident92.3Very high110 Ų11077.5 Ų77.571%0.71440%0.395SS*.  trans-54.40179.5-2734.7000116.3M47 R51M47-P155 WeakPolarHBondContact CG-O 3.46Å; R51-P155 PolarHBondContact NE-O 3.29Å; R51-P155 PolarHBondContact NH2-O 2.96Å; R51-P155 PolarHBondContact NH2-OXT 3.06Å

Retrieved 155 of 155 residues in 139.3 ms (Link to these results)

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