X6RDD7_HUMAN Loading...

Acyl-CoA binding domain containing 5

AlphaFold DB , UniProt , Accession X6RDD7, Species HUMAN (Homo sapiens, Human), Gene ACBD5, Length 251 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
1M34Very low70.7Confident245 Ų24599.5 Ų99.5100%1.20754%0.542SS*.  0136.50-72158.1171.900105.8
2A47.9Very low72.4Confident91 Ų9192.6 Ų92.675%0.75250%0.503SS*.  trans-86.7130.7179.600000109.1T4A2-T4 PolarHBondContact O-N 3.39Å
3D53.5Low73.6Confident158 Ų15890.2 Ų90.285%0.84549%0.487SS*.  trans-65.4103177.3-69.1-70000110.6R5D3-R5 PolarHBondContact O-N 3.42Å
4T57.7Low74.4Confident143 Ų14385.5 Ų85.588%0.87747%0.466SS*.  trans-78.961.116856.20000109.6A2A2-T4 PolarHBondContact O-N 3.39Å
5R68.3Low75.1Confident121 Ų12179.8 Ų79.846%0.45744%0.435SS..  trans-69.4138.1177.8-150168-160.8-174.9-10.6109.7D3 E9 E13D3-R5 PolarHBondContact O-N 3.42Å; R5-E9 HydrophobicContact CG-CB 4.29Å; R5-E9 VanDerWaalsContact CG-CD 3.49Å; R5-E9 HydrophobicContact CG-CG 4.18Å; R5-E9 WeakPolarHBondContact CG-OE2 3.44Å; R5-E9 IonicContact CZ-OE1 2.76Å; R5-E9 VanDerWaalsContact CZ-OE1 3.26Å; R5-E9 IonicContact NE-OE1 3.25Å; R5-E9 PolarHBondContact NE-OE1 3.49Å; R5-E9 IonicContact NE-OE2 2.97Å; R5-E9 IonicContact NH2-OE1 3.81Å; R5-E9 PolarHBondContact NH2-OE1 3.3Å; R5-E13 IonicContact CZ-OE2 3.26Å; R5-E13 IonicContact NH1-OE2 2.63Å; R5-E13 PolarHBondContact NH1-OE2 3.25Å; R5-E13 IonicContact NH2-OE2 3.21Å; R5-E13 PolarHBondContact NH2-OE2 3.21Å
6S84Confident75.9Confident41 Ų4175.3 Ų75.329%0.28741%0.41SS..  trans-70153.1-176.695.20000110.9H8 E9 T10S6-H8 PolarHBondContact O-N 3.33Å; S6-H8 PolarHBondContact OG-N 3.31Å; S6-E9 PolarHBondContact O-N 2.73Å; S6-E9 WeakPolarHBondContact OG-CB 3.5Å; S6-E9 PolarHBondContact OG-N 3.31Å; S6-T10 PolarHBondContact O-N 3.48Å; S6-T10 PolarHBondContact O-OG1 2.76Å
7V84.8Confident76.4Confident82 Ų8277.1 Ų77.150%0.49741%0.414SS..Hα-helixtrans-60.2-38.2175.2173.10000110.2R11V7-R11 VanDerWaalsContact CG1-NE 3.28Å; V7-R11 VanDerWaalsContact O-CD 3.28Å; V7-R11 WeakPolarHBondContact O-CD 2.75Å; V7-R11 WeakPolarHBondContact O-CG 3.46Å; V7-R11 PolarHBondContact O-N 3.28Å; V7-R11 VanDerWaalsContact O-N 3.13Å
8H87Confident76.6Confident61 Ų6173.5 Ų73.528%0.28240%0.395SS..Hα-helixtrans-67-41.7177.2-62.6-71.3000112.5S6 R11 F12 E78 I82S6-H8 PolarHBondContact O-N 3.33Å; S6-H8 PolarHBondContact OG-N 3.31Å; H8-R11 PolarHBondContact O-N 3.31Å; H8-F12 WeakPolarHBondContact O-CB 3.11Å; H8-F12 PolarHBondContact O-N 3.49Å; H8-E78 HydrophobicContact CB-CG 4.29Å; H8-E78 IonicContact CD2-OE1 2.69Å; H8-E78 PolarHBondContact CD2-OE1 2.89Å; H8-E78 VanDerWaalsContact CD2-OE1 3.23Å; H8-E78 IonicContact CG-OE1 3.61Å; H8-I82 HydrophobicContact CB-CG1 4.44Å; H8-I82 WeakPolarHBondContact ND1-CG1 3.41Å
9E88.4Confident76.8Confident60 Ų6070.6 Ų70.628%0.2838%0.379SS..Hα-helixtrans-66.7-42.1177.4-169.1-169.9162.900111.9R5 S6 R11 F12 E13 M81R5-E9 HydrophobicContact CG-CB 4.29Å; R5-E9 VanDerWaalsContact CG-CD 3.49Å; R5-E9 HydrophobicContact CG-CG 4.18Å; R5-E9 WeakPolarHBondContact CG-OE2 3.44Å; R5-E9 IonicContact CZ-OE1 2.76Å; R5-E9 VanDerWaalsContact CZ-OE1 3.26Å; R5-E9 IonicContact NE-OE1 3.25Å; R5-E9 PolarHBondContact NE-OE1 3.49Å; R5-E9 IonicContact NE-OE2 2.97Å; R5-E9 IonicContact NH2-OE1 3.81Å; R5-E9 PolarHBondContact NH2-OE1 3.3Å; S6-E9 PolarHBondContact O-N 2.73Å; S6-E9 WeakPolarHBondContact OG-CB 3.5Å; S6-E9 PolarHBondContact OG-N 3.31Å; E9-R11 VanDerWaalsContact C-N 3.32Å; E9-R11 PolarHBondContact O-N 3.34Å; E9-F12 PolarHBondContact O-N 3.49Å; E9-E13 PolarHBondContact O-N 3.28Å; E9-M81 HydrophobicContact CB-CE 4.48Å; E9-M81 HydrophobicContact CB-SD 3.94Å; E9-M81 HydrophobicContact CG-CE 4.14Å; E9-M81 HydrophobicContact CG-SD 4.21Å
10T86.8Confident77Confident55 Ų5570.1 Ų70.134%0.33737%0.374SS..Hα-helixtrans-61.4-42.2177.1-550000111.3S6 A14 I114S6-T10 PolarHBondContact O-N 3.48Å; S6-T10 PolarHBondContact O-OG1 2.76Å; T10-A14 PolarHBondContact O-N 3.3Å; T10-I114 HydrophobicContact CG2-CG2 4.42Å
11R85.4Confident77Confident38 Ų3870.8 Ų70.814%0.14339%0.385CS..Hα-helixtrans-64.9-48.1174.3-67.8164.4177.9-174.6-4.2110.7V7 H8 E9 E13 A14 A15 V85 F111 I114 V115V7-R11 VanDerWaalsContact CG1-NE 3.28Å; V7-R11 VanDerWaalsContact O-CD 3.28Å; V7-R11 WeakPolarHBondContact O-CD 2.75Å; V7-R11 WeakPolarHBondContact O-CG 3.46Å; V7-R11 PolarHBondContact O-N 3.28Å; V7-R11 VanDerWaalsContact O-N 3.13Å; H8-R11 PolarHBondContact O-N 3.31Å; E9-R11 VanDerWaalsContact C-N 3.32Å; E9-R11 PolarHBondContact O-N 3.34Å; R11-E13 PolarHBondContact O-N 2.95Å; R11-A14 PolarHBondContact O-N 2.91Å; R11-A15 PolarHBondContact O-N 3.18Å; R11-V85 HydrophobicContact CB-CG2 4Å; R11-F111 HydrophobicContact CB-CE2 4.23Å; R11-F111 VanDerWaalsContact O-CE2 3.24Å; R11-F111 WeakPolarHBondContact O-CE2 3.37Å; R11-I114 HydrophobicContact CG-CG2 3.86Å; R11-I114 VanDerWaalsContact CZ-O 3.26Å; R11-I114 PolarHBondContact NE-O 2.67Å; R11-I114 PolarHBondContact NH2-O 3.34Å; R11-V115 HydrophobicContact CB-CG2 4.12Å; R11-V115 HydrophobicContact CG-CG2 3.64Å; R11-V115 PolarHBondContact NH2-O 3.3Å; R11-V115 VanDerWaalsContact NH2-O 3.14Å
12F90.8Very high78.8Confident16 Ų1661.1 Ų61.17%0.0734%0.338CS..Hα-helixtrans-57.6-47178.9171.1-104.5000112.8H8 E9 A14 A15 V16 Y42 A45 M81 Y84H8-F12 WeakPolarHBondContact O-CB 3.11Å; H8-F12 PolarHBondContact O-N 3.49Å; E9-F12 PolarHBondContact O-N 3.49Å; F12-A14 VanDerWaalsContact C-N 3.33Å; F12-A14 PolarHBondContact O-N 3.36Å; F12-A15 WeakPolarHBondContact O-CB 3.39Å; F12-A15 PolarHBondContact O-N 3.45Å; F12-A15 VanDerWaalsContact O-N 3.16Å; F12-V16 HydrophobicContact CD1-CG2 4.39Å; F12-V16 HydrophobicContact CD2-CG2 4.16Å; F12-V16 HydrophobicContact CE1-CG2 4.03Å; F12-V16 HydrophobicContact CE2-CG2 3.79Å; F12-V16 HydrophobicContact CG-CG2 4.46Å; F12-V16 HydrophobicContact CZ-CG2 3.73Å; F12-V16 WeakPolarHBondContact O-CG2 3.23Å; F12-V16 PolarHBondContact O-N 3.35Å; F12-Y42 HydrophobicContact CE2-CD2 4.4Å; F12-Y42 AromaticContact CZ-CD2 3.69Å; F12-Y42 HydrophobicContact CZ-CD2 3.69Å; F12-Y42 HydrophobicContact CZ-CE2 4.26Å; F12-A45 HydrophobicContact CE1-CB 4.09Å; F12-A45 HydrophobicContact CE2-CB 3.83Å; F12-A45 HydrophobicContact CZ-CB 3.59Å; F12-M81 HydrophobicContact CB-CB 3.86Å; F12-M81 HydrophobicContact CB-CG 3.8Å; F12-M81 HydrophobicContact CB-SD 4.43Å; F12-M81 HydrophobicContact CD1-CE 4.4Å; F12-M81 HydrophobicContact CD1-CG 3.96Å; F12-M81 HydrophobicContact CD2-CB 4.24Å; F12-M81 HydrophobicContact CD2-CG 4.02Å; F12-M81 HydrophobicContact CG-CB 4.1Å; F12-M81 HydrophobicContact CG-CG 3.66Å; F12-Y84 AromaticContact CD2-CD1 3.89Å; F12-Y84 HydrophobicContact CD2-CD1 3.89Å; F12-Y84 HydrophobicContact CD2-CD2 4.39Å; F12-Y84 AromaticContact CD2-CG 3.81Å; F12-Y84 HydrophobicContact CD2-CG 3.81Å; F12-Y84 HydrophobicContact CE2-CD1 4.07Å; F12-Y84 AromaticContact CE2-CD2 3.81Å; F12-Y84 HydrophobicContact CE2-CD2 3.81Å; F12-Y84 HydrophobicContact CE2-CE2 4.3Å; F12-Y84 AromaticContact CE2-CG 3.7Å; F12-Y84 HydrophobicContact CE2-CG 3.7Å
13E88.3Confident79.8Confident62 Ų6261.1 Ų61.129%0.2933%0.33SS..Hα-helixtrans-61.1-42.2178.3-171.2-169.116200111.9R5 E9 R11 V16 K17R5-E13 IonicContact CZ-OE2 3.26Å; R5-E13 IonicContact NH1-OE2 2.63Å; R5-E13 PolarHBondContact NH1-OE2 3.25Å; R5-E13 IonicContact NH2-OE2 3.21Å; R5-E13 PolarHBondContact NH2-OE2 3.21Å; E9-E13 PolarHBondContact O-N 3.28Å; R11-E13 PolarHBondContact O-N 2.95Å; E13-V16 PolarHBondContact O-N 3.05Å; E13-K17 HydrophobicContact CG-CD 4.5Å; E13-K17 WeakPolarHBondContact O-CG 3.44Å; E13-K17 PolarHBondContact O-N 3.18Å; E13-K17 WeakPolarHBondContact OE1-CE 3.31Å; E13-K17 IonicContact OE1-NZ 2.62Å; E13-K17 PolarHBondContact OE1-NZ 3.5Å
14A84.8Confident80.5Confident24 Ų2460.1 Ų60.120%0.19832%0.318CS..Hα-helixtrans-63.9-40.3175.500000112T10 R11 F12 K17 V18 F111T10-A14 PolarHBondContact O-N 3.3Å; R11-A14 PolarHBondContact O-N 2.91Å; F12-A14 VanDerWaalsContact C-N 3.33Å; F12-A14 PolarHBondContact O-N 3.36Å; A14-K17 PolarHBondContact O-N 2.98Å; A14-V18 VanDerWaalsContact O-CG2 3.32Å; A14-V18 WeakPolarHBondContact O-CG2 3.36Å; A14-V18 PolarHBondContact O-N 3.35Å; A14-F111 HydrophobicContact CB-CB 4.44Å; A14-F111 HydrophobicContact CB-CD2 3.81Å
15A85.3Confident80.8Confident0 Ų060.1 Ų60.10%031%0.313CS..Hα-helixtrans-63.6-42.3174.200000112.8R11 F12 V18 I19 Y84 V85 M88 F111R11-A15 PolarHBondContact O-N 3.18Å; F12-A15 WeakPolarHBondContact O-CB 3.39Å; F12-A15 PolarHBondContact O-N 3.45Å; F12-A15 VanDerWaalsContact O-N 3.16Å; A15-V18 WeakPolarHBondContact O-CB 3.48Å; A15-V18 PolarHBondContact O-N 3.42Å; A15-I19 PolarHBondContact O-N 2.61Å; A15-Y84 HydrophobicContact CB-CD1 3.82Å; A15-Y84 HydrophobicContact CB-CE1 3.75Å; A15-V85 HydrophobicContact CB-CG2 4.18Å; A15-M88 HydrophobicContact CB-CE 3.51Å; A15-M88 HydrophobicContact CB-SD 3.75Å; A15-F111 HydrophobicContact CB-CD2 4.48Å; A15-F111 HydrophobicContact CB-CE2 3.77Å; A15-F111 HydrophobicContact CB-CZ 4.12Å
16V86.9Confident80.5Confident7 Ų755.3 Ų55.34%0.04230%0.3CS..Hα-helixtrans-61.2-45.8175.6170.40000110.6F12 E13 V18 I19 Q20 Y42 Y84 I215F12-V16 HydrophobicContact CD1-CG2 4.39Å; F12-V16 HydrophobicContact CD2-CG2 4.16Å; F12-V16 HydrophobicContact CE1-CG2 4.03Å; F12-V16 HydrophobicContact CE2-CG2 3.79Å; F12-V16 HydrophobicContact CG-CG2 4.46Å; F12-V16 HydrophobicContact CZ-CG2 3.73Å; F12-V16 WeakPolarHBondContact O-CG2 3.23Å; F12-V16 PolarHBondContact O-N 3.35Å; E13-V16 PolarHBondContact O-N 3.05Å; V16-V18 VanDerWaalsContact C-N 3.33Å; V16-V18 PolarHBondContact O-N 2.62Å; V16-I19 PolarHBondContact O-N 3.23Å; V16-Q20 HydrophobicContact CG1-CG 4.28Å; V16-Q20 WeakPolarHBondContact O-CB 3.49Å; V16-Q20 VanDerWaalsContact O-CG 3.29Å; V16-Q20 WeakPolarHBondContact O-CG 3.34Å; V16-Q20 PolarHBondContact O-N 3.12Å; V16-Y42 HydrophobicContact CG1-CE2 4.16Å; V16-Y42 HydrophobicContact CG2-CD2 3.92Å; V16-Y42 HydrophobicContact CG2-CE2 4.19Å; V16-Y84 HydrophobicContact CG2-CE1 3.82Å; V16-Y84 HydrophobicContact CG2-CE2 4.39Å; V16-I215 HydrophobicContact CG1-CG2 4.12Å
17K84.6Confident79.4Confident107 Ų10757.2 Ų57.247%0.46531%0.314SS..Hα-helixtrans-60.4-40.9176.4-74.7173.7-176.2170.20112.5E13 A14 S21E13-K17 HydrophobicContact CG-CD 4.5Å; E13-K17 WeakPolarHBondContact O-CG 3.44Å; E13-K17 PolarHBondContact O-N 3.18Å; E13-K17 WeakPolarHBondContact OE1-CE 3.31Å; E13-K17 IonicContact OE1-NZ 2.62Å; E13-K17 PolarHBondContact OE1-NZ 3.5Å; A14-K17 PolarHBondContact O-N 2.98Å; K17-S21 VanDerWaalsContact O-CB 3.29Å; K17-S21 WeakPolarHBondContact O-CB 3.44Å; K17-S21 PolarHBondContact O-N 2.93Å; K17-S21 PolarHBondContact O-OG 3.03Å
18V79.9Confident78.4Confident12 Ų1256.1 Ų56.17%0.07330%0.302CS..Hα-helixtrans-58.5-52.3174.7163.50000110.6A14 A15 V16 Q20 S21 L22 M88 I108A14-V18 VanDerWaalsContact O-CG2 3.32Å; A14-V18 WeakPolarHBondContact O-CG2 3.36Å; A14-V18 PolarHBondContact O-N 3.35Å; A15-V18 WeakPolarHBondContact O-CB 3.48Å; A15-V18 PolarHBondContact O-N 3.42Å; V16-V18 VanDerWaalsContact C-N 3.33Å; V16-V18 PolarHBondContact O-N 2.62Å; V18-Q20 PolarHBondContact O-N 3.29Å; V18-S21 PolarHBondContact O-N 3.48Å; V18-S21 VanDerWaalsContact O-N 3.08Å; V18-L22 PolarHBondContact O-N 3.34Å; V18-M88 HydrophobicContact CB-SD 4.17Å; V18-M88 HydrophobicContact CG1-SD 3.85Å; V18-I108 HydrophobicContact CB-CG1 4.36Å; V18-I108 HydrophobicContact CG1-CD1 3.47Å; V18-I108 VanDerWaalsContact CG1-CD1 3.47Å; V18-I108 HydrophobicContact CG1-CG1 3.55Å; V18-I108 HydrophobicContact CG2-CG1 3.82Å
19I81.7Confident77.6Confident19 Ų1959.9 Ų59.910%0.09732%0.32CS..Hα-helixtrans-66.5-37.3-177.4-73.7164.8000112A15 V16 S21 L22 F38 Y84 M88A15-I19 PolarHBondContact O-N 2.61Å; V16-I19 PolarHBondContact O-N 3.23Å; I19-S21 VanDerWaalsContact C-N 3.28Å; I19-S21 PolarHBondContact O-N 2.99Å; I19-L22 HydrophobicContact CG1-CD1 4.41Å; I19-L22 WeakPolarHBondContact O-CB 3.45Å; I19-L22 PolarHBondContact O-N 3.26Å; I19-F38 HydrophobicContact CD1-CD1 3.64Å; I19-F38 HydrophobicContact CD1-CD2 4.12Å; I19-F38 HydrophobicContact CD1-CE1 3.36Å; I19-F38 HydrophobicContact CD1-CE2 3.85Å; I19-F38 HydrophobicContact CD1-CG 4Å; I19-F38 HydrophobicContact CD1-CZ 3.44Å; I19-F38 VanDerWaalsContact CD1-CZ 3.44Å; I19-F38 HydrophobicContact CG1-CZ 4.5Å; I19-Y84 HydrophobicContact CD1-CE1 3.69Å; I19-Y84 WeakPolarHBondContact CD1-OH 3.49Å; I19-M88 HydrophobicContact CD1-CB 4.46Å; I19-M88 HydrophobicContact CD1-CG 4.06Å; I19-M88 HydrophobicContact CD1-SD 3.82Å; I19-M88 HydrophobicContact CG1-CG 4.48Å; I19-M88 HydrophobicContact CG1-SD 3.97Å
20Q80.5Confident77Confident59 Ų5958.6 Ų58.628%0.27632%0.317SS..Hα-helixtrans-63.5-31.7171.7-74.2175.7-16.900113.2V16 V18 L22 I215V16-Q20 HydrophobicContact CG1-CG 4.28Å; V16-Q20 WeakPolarHBondContact O-CB 3.49Å; V16-Q20 VanDerWaalsContact O-CG 3.29Å; V16-Q20 WeakPolarHBondContact O-CG 3.34Å; V16-Q20 PolarHBondContact O-N 3.12Å; V18-Q20 PolarHBondContact O-N 3.29Å; Q20-L22 VanDerWaalsContact C-N 3.33Å; Q20-I215 HydrophobicContact CG-CG2 4.38Å; Q20-I215 PolarHBondContact NE2-O 2.8Å
21S76.1Confident76.9Confident86 Ų8659.6 Ų59.660%0.60132%0.323SS*.THydrogen-bonded Turntrans-83.6-6.2-178.7-56.80000113.4K17 V18 I19K17-S21 VanDerWaalsContact O-CB 3.29Å; K17-S21 WeakPolarHBondContact O-CB 3.44Å; K17-S21 PolarHBondContact O-N 2.93Å; K17-S21 PolarHBondContact O-OG 3.03Å; V18-S21 PolarHBondContact O-N 3.48Å; V18-S21 VanDerWaalsContact O-N 3.08Å; I19-S21 VanDerWaalsContact C-N 3.28Å; I19-S21 PolarHBondContact O-N 2.99Å
22L72.2Confident77Confident42 Ų4263.2 Ų63.222%0.2235%0.345CS..SBendtrans-65.6129.2178.8-70.8176.2000111V18 I19 Q20 K24 L104V18-L22 PolarHBondContact O-N 3.34Å; I19-L22 HydrophobicContact CG1-CD1 4.41Å; I19-L22 WeakPolarHBondContact O-CB 3.45Å; I19-L22 PolarHBondContact O-N 3.26Å; Q20-L22 VanDerWaalsContact C-N 3.33Å; L22-K24 PolarHBondContact O-N 2.88Å; L22-L104 HydrophobicContact CD2-CD1 3.53Å; L22-L104 HydrophobicContact CD2-CD2 3.73Å; L22-L104 HydrophobicContact CD2-CG 4.29Å
23P69.8Low77Confident90 Ų9068.3 Ų68.358%0.58437%0.369SS*.  trans-66.5119.1177.625.2-32.4000110.5N25 G26P23-N25 PolarHBondContact O-N 3.17Å; P23-G26 PolarHBondContact O-N 2.93Å
24K67.8Low77Confident137 Ų13766.8 Ų66.860%0.59636%0.363SS*.THydrogen-bonded Turntrans-54.2-27-179.8-62.7179.8-179.4178.70114.1L22L22-K24 PolarHBondContact O-N 2.88Å
25N64Low77.2Confident144 Ų14467.2 Ų67.277%0.7736%0.361SS*.THydrogen-bonded Turntrans-11222179.3-5889.5000112P23P23-N25 PolarHBondContact O-N 3.17Å
26G62.4Low77.6Confident19 Ų1969.5 Ų69.520%0.19637%0.373CS..SBendtrans-68.5172.2178.500000113.3P23 F28P23-G26 PolarHBondContact O-N 2.93Å; G26-F28 PolarHBondContact O-N 3.26Å
27S59Low77.9Confident81 Ų8172 Ų7257%0.56638%0.383SS*.SBendtrans-70-5.6173.9-162.40000113.7
28F64.4Low78.3Confident60 Ų6067.5 Ų67.526%0.26336%0.363SS..  trans-122.8125172.3175.6-106.2000108.1G26 P30 M34 I91 M95G26-F28 PolarHBondContact O-N 3.26Å; F28-P30 HydrophobicContact CE1-CB 4.14Å; F28-P30 HydrophobicContact CZ-CB 4.24Å; F28-M34 HydrophobicContact CE2-CE 4.46Å; F28-M34 HydrophobicContact CZ-CE 3.76Å; F28-I91 HydrophobicContact CE1-CG2 4.23Å; F28-I91 HydrophobicContact CE2-CG2 4.34Å; F28-I91 HydrophobicContact CZ-CG2 3.55Å; F28-M95 HydrophobicContact CB-CE 3.68Å; F28-M95 HydrophobicContact CD1-CE 4.13Å; F28-M95 HydrophobicContact CD1-SD 4.03Å; F28-M95 HydrophobicContact CD2-CE 3.54Å; F28-M95 HydrophobicContact CD2-CG 3.91Å; F28-M95 HydrophobicContact CD2-SD 3.57Å; F28-M95 VanDerWaalsContact CD2-SD 3.57Å; F28-M95 HydrophobicContact CE1-SD 4.02Å; F28-M95 HydrophobicContact CE2-CE 4.18Å; F28-M95 HydrophobicContact CE2-CG 3.72Å; F28-M95 HydrophobicContact CE2-SD 3.56Å; F28-M95 VanDerWaalsContact CE2-SD 3.56Å; F28-M95 HydrophobicContact CG-CE 3.49Å; F28-M95 VanDerWaalsContact CG-CE 3.49Å; F28-M95 HydrophobicContact CG-SD 3.8Å; F28-M95 HydrophobicContact CZ-CG 4.36Å; F28-M95 HydrophobicContact CZ-SD 3.78Å
29Q70.1Confident79.1Confident140 Ų14069.1 Ų69.165%0.65437%0.369SS*.  trans-123.5116.1171.1-68.8176.843.100106.6
30P75.8Confident79.8Confident32 Ų3268.5 Ų68.521%0.20837%0.366CS..  trans-62.8144.4175.527.6-35.4000110F28 M34 M35F28-P30 HydrophobicContact CE1-CB 4.14Å; F28-P30 HydrophobicContact CZ-CB 4.24Å; P30-M34 HydrophobicContact CB-CB 4.27Å; P30-M34 HydrophobicContact CB-CE 3.67Å; P30-M35 HydrophobicContact CB-CE 4.33Å; P30-M35 HydrophobicContact CB-CG 4.18Å; P30-M35 HydrophobicContact CB-SD 4.36Å; P30-M35 HydrophobicContact CG-CE 3.71Å; P30-M35 HydrophobicContact CG-CG 3.9Å; P30-M35 HydrophobicContact CG-SD 3.5Å; P30-M35 VanDerWaalsContact CG-SD 3.5Å
31T86Confident80.6Confident76 Ų7667 Ų6747%0.46636%0.359SS..  trans-67.5157.4178.870.60000111E33 M34 M35T31-E33 PolarHBondContact O-N 3.28Å; T31-E33 VanDerWaalsContact O-N 3.16Å; T31-M34 HydrophobicContact CG2-SD 3.9Å; T31-M34 WeakPolarHBondContact O-CB 3.26Å; T31-M34 PolarHBondContact O-N 3.35Å; T31-M34 WeakPolarHBondContact OG1-CG 3.47Å; T31-M34 PolarHBondContact OG1-N 3.48Å; T31-M34 PolarHBondContact OG1-SD 3.23Å; T31-M35 WeakPolarHBondContact O-CG 3.48Å; T31-M35 PolarHBondContact O-N 3.46Å
32N87.8Confident81.5Confident115 Ų11563.8 Ų63.862%0.61533%0.333SS*.Hα-helixtrans-55.3-34.4177.2-66.7-12.6000112.4M35 L36N32-M35 PolarHBondContact O-N 3.32Å; N32-L36 WeakPolarHBondContact O-CB 3.2Å; N32-L36 VanDerWaalsContact O-CG 3.29Å; N32-L36 WeakPolarHBondContact O-CG 3.43Å; N32-L36 PolarHBondContact O-N 2.9Å
33E89.6Confident82.7Confident122 Ų12263.2 Ų63.257%0.5733%0.329SS*.Hα-helixtrans-64.9-45.5174.9-167.3-161.3134.500111.9T31 M35 L36 K37T31-E33 PolarHBondContact O-N 3.28Å; T31-E33 VanDerWaalsContact O-N 3.16Å; E33-M35 VanDerWaalsContact C-N 3.34Å; E33-M35 PolarHBondContact O-N 2.99Å; E33-L36 PolarHBondContact O-N 2.73Å; E33-K37 WeakPolarHBondContact O-CG 3.15Å; E33-K37 PolarHBondContact O-N 2.89Å; E33-K37 WeakPolarHBondContact OE1-CE 3.45Å; E33-K37 IonicContact OE1-NZ 3.75Å; E33-K37 PolarHBondContact OE1-NZ 3.37Å
34M88.3Confident84.1Confident31 Ų3158.9 Ų58.915%0.15330%0.301CS..Hα-helixtrans-62.8-41.5176.5-68.8153.556.600111.3F28 P30 T31 L36 K37 F38 I91F28-M34 HydrophobicContact CE2-CE 4.46Å; F28-M34 HydrophobicContact CZ-CE 3.76Å; P30-M34 HydrophobicContact CB-CB 4.27Å; P30-M34 HydrophobicContact CB-CE 3.67Å; T31-M34 HydrophobicContact CG2-SD 3.9Å; T31-M34 WeakPolarHBondContact O-CB 3.26Å; T31-M34 PolarHBondContact O-N 3.35Å; T31-M34 WeakPolarHBondContact OG1-CG 3.47Å; T31-M34 PolarHBondContact OG1-N 3.48Å; T31-M34 PolarHBondContact OG1-SD 3.23Å; M34-L36 VanDerWaalsContact C-N 3.33Å; M34-L36 PolarHBondContact O-N 3.43Å; M34-K37 PolarHBondContact O-N 3.28Å; M34-F38 VanDerWaalsContact O-CD2 3.23Å; M34-F38 WeakPolarHBondContact O-CD2 3.22Å; M34-F38 PolarHBondContact O-N 3.45Å; M34-I91 HydrophobicContact CB-CD1 4.37Å; M34-I91 HydrophobicContact CE-CB 4.44Å; M34-I91 HydrophobicContact CE-CD1 3.59Å; M34-I91 HydrophobicContact CE-CG1 3.77Å; M34-I91 HydrophobicContact CE-CG2 3.8Å; M34-I91 HydrophobicContact CG-CD1 4.21Å
35M88.9Confident85.4Confident33 Ų3352.5 Ų52.516%0.16327%0.274CS..Hα-helixtrans-61.9-40.4176.5-64.9-92.568.300112P30 T31 N32 E33 F38 Y39 F211P30-M35 HydrophobicContact CB-CE 4.33Å; P30-M35 HydrophobicContact CB-CG 4.18Å; P30-M35 HydrophobicContact CB-SD 4.36Å; P30-M35 HydrophobicContact CG-CE 3.71Å; P30-M35 HydrophobicContact CG-CG 3.9Å; P30-M35 HydrophobicContact CG-SD 3.5Å; P30-M35 VanDerWaalsContact CG-SD 3.5Å; T31-M35 WeakPolarHBondContact O-CG 3.48Å; T31-M35 PolarHBondContact O-N 3.46Å; N32-M35 PolarHBondContact O-N 3.32Å; E33-M35 VanDerWaalsContact C-N 3.34Å; E33-M35 PolarHBondContact O-N 2.99Å; M35-F38 HydrophobicContact CE-CD2 4.36Å; M35-Y39 WeakPolarHBondContact O-CB 3.36Å; M35-Y39 PolarHBondContact O-N 2.9Å; M35-F211 HydrophobicContact CB-CE2 4.21Å; M35-F211 HydrophobicContact CB-CZ 4Å; M35-F211 HydrophobicContact CE-CE1 3.66Å; M35-F211 HydrophobicContact CE-CZ 3.53Å; M35-F211 HydrophobicContact CG-CZ 4.21Å; M35-F211 HydrophobicContact SD-CD1 4.34Å; M35-F211 HydrophobicContact SD-CE1 3.4Å; M35-F211 WeakPolarHBondContact SD-CE1 3.49Å; M35-F211 HydrophobicContact SD-CE2 4.06Å; M35-F211 HydrophobicContact SD-CZ 3.25Å; M35-F211 WeakPolarHBondContact SD-CZ 3.3Å
36L93.6Very high86.9Confident47 Ų4748 Ų4825%0.24625%0.252CS..Hα-helixtrans-67.7-35.9176-73.7168.9000113N32 E33 M34 Y39 S40 K65 A68N32-L36 WeakPolarHBondContact O-CB 3.2Å; N32-L36 VanDerWaalsContact O-CG 3.29Å; N32-L36 WeakPolarHBondContact O-CG 3.43Å; N32-L36 PolarHBondContact O-N 2.9Å; E33-L36 PolarHBondContact O-N 2.73Å; M34-L36 VanDerWaalsContact C-N 3.33Å; M34-L36 PolarHBondContact O-N 3.43Å; L36-Y39 PolarHBondContact O-N 3.44Å; L36-S40 PolarHBondContact O-N 3.43Å; L36-S40 PolarHBondContact O-OG 3.3Å; L36-K65 HydrophobicContact CD2-CG 4.19Å; L36-A68 HydrophobicContact CB-CB 4.16Å; L36-A68 HydrophobicContact CD2-CB 4.48Å
37K93.8Very high88.5Confident59 Ų5950.9 Ų50.926%0.25726%0.26SS..Hα-helixtrans-66-45.9173.6-71175.7-168.9167.30112.4E33 M34 Y39 S40 F41 E87E33-K37 WeakPolarHBondContact O-CG 3.15Å; E33-K37 PolarHBondContact O-N 2.89Å; E33-K37 WeakPolarHBondContact OE1-CE 3.45Å; E33-K37 IonicContact OE1-NZ 3.75Å; E33-K37 PolarHBondContact OE1-NZ 3.37Å; M34-K37 PolarHBondContact O-N 3.28Å; K37-Y39 VanDerWaalsContact C-N 3.29Å; K37-Y39 PolarHBondContact O-N 2.96Å; K37-S40 PolarHBondContact O-N 3.13Å; K37-S40 PolarHBondContact O-OG 3.25Å; K37-F41 HydrophobicContact CB-CD2 4.5Å; K37-F41 HydrophobicContact CB-CE2 4.22Å; K37-F41 WeakPolarHBondContact O-CD2 3.37Å; K37-F41 WeakPolarHBondContact O-CG 3.34Å; K37-F41 PolarHBondContact O-N 3.11Å; K37-E87 HydrophobicContact CD-CG 4.4Å; K37-E87 VanDerWaalsContact CD-OE1 3.23Å; K37-E87 WeakPolarHBondContact CD-OE1 3.28Å; K37-E87 IonicContact NZ-OE1 3.16Å; K37-E87 PolarHBondContact NZ-OE1 3.25Å
38F93.7Very high90.2Very high13 Ų1347.2 Ų47.26%0.05724%0.235CC..Hα-helixtrans-61.5-40.7175-75.1-54.5000111.8I19 M34 M35 Y42 Y84 E87 M88 I91I19-F38 HydrophobicContact CD1-CD1 3.64Å; I19-F38 HydrophobicContact CD1-CD2 4.12Å; I19-F38 HydrophobicContact CD1-CE1 3.36Å; I19-F38 HydrophobicContact CD1-CE2 3.85Å; I19-F38 HydrophobicContact CD1-CG 4Å; I19-F38 HydrophobicContact CD1-CZ 3.44Å; I19-F38 VanDerWaalsContact CD1-CZ 3.44Å; I19-F38 HydrophobicContact CG1-CZ 4.5Å; M34-F38 VanDerWaalsContact O-CD2 3.23Å; M34-F38 WeakPolarHBondContact O-CD2 3.22Å; M34-F38 PolarHBondContact O-N 3.45Å; M35-F38 HydrophobicContact CE-CD2 4.36Å; F38-Y42 WeakPolarHBondContact O-CB 3.29Å; F38-Y42 PolarHBondContact O-N 2.82Å; F38-Y84 HydrophobicContact CB-CE2 3.94Å; F38-Y84 HydrophobicContact CD1-CD1 4.37Å; F38-Y84 AromaticContact CD1-CD2 3.88Å; F38-Y84 HydrophobicContact CD1-CD2 3.88Å; F38-Y84 HydrophobicContact CD1-CE1 4.18Å; F38-Y84 AromaticContact CD1-CE2 3.65Å; F38-Y84 HydrophobicContact CD1-CE2 3.65Å; F38-Y84 HydrophobicContact CD1-CG 4.23Å; F38-Y84 AromaticContact CD1-CZ 3.81Å; F38-Y84 HydrophobicContact CE1-CE1 4.43Å; F38-Y84 HydrophobicContact CG-CE2 4.23Å; F38-Y84 WeakPolarHBondContact O-CE2 3.24Å; F38-E87 HydrophobicContact CE1-CB 4.45Å; F38-M88 HydrophobicContact CE1-CB 3.94Å; F38-M88 HydrophobicContact CZ-CB 4.02Å; F38-M88 HydrophobicContact CZ-CG 4.36Å; F38-I91 HydrophobicContact CE2-CD1 3.46Å; F38-I91 VanDerWaalsContact CE2-CD1 3.46Å; F38-I91 HydrophobicContact CZ-CD1 3.47Å; F38-I91 VanDerWaalsContact CZ-CD1 3.47Å
39Y94.9Very high91.8Very high47 Ų4746.8 Ų46.818%0.18424%0.238CC..Hα-helixtrans-59.9-49.5173.8174.8-93000112.1M35 L36 K37 Y42 K43 K65 W69M35-Y39 WeakPolarHBondContact O-CB 3.36Å; M35-Y39 PolarHBondContact O-N 2.9Å; L36-Y39 PolarHBondContact O-N 3.44Å; K37-Y39 VanDerWaalsContact C-N 3.29Å; K37-Y39 PolarHBondContact O-N 2.96Å; Y39-Y42 PolarHBondContact O-N 2.89Å; Y39-K43 HydrophobicContact CD1-CG 4.3Å; Y39-K43 HydrophobicContact CD2-CG 4.16Å; Y39-K43 HydrophobicContact CE1-CG 3.8Å; Y39-K43 HydrophobicContact CE2-CD 3.83Å; Y39-K43 HydrophobicContact CE2-CG 3.66Å; Y39-K43 HydrophobicContact CG-CG 4.46Å; Y39-K43 VanDerWaalsContact CZ-CG 3.47Å; Y39-K43 WeakPolarHBondContact O-CG 3.42Å; Y39-K43 PolarHBondContact O-N 3.26Å; Y39-K65 HydrophobicContact CD1-CB 4Å; Y39-K65 HydrophobicContact CD1-CG 4.11Å; Y39-K65 HydrophobicContact CE1-CB 3.54Å; Y39-K65 HydrophobicContact CE1-CG 4.02Å; Y39-K65 WeakPolarHBondContact CE1-O 3.14Å; Y39-K65 HydrophobicContact CE2-CD 4.4Å; Y39-K65 HydrophobicContact CE2-CG 4.49Å; Y39-K65 HydrophobicContact CG-CG 4.41Å; Y39-W69 HydrophobicContact CE1-CB 4.36Å
40S96.7Very high93Very high5 Ų541.5 Ų41.54%0.03522%0.216CC..Hα-helixtrans-63.7-46.9-177.662.20000112.2L36 K37 Y42 K43 Q44 A68 L72L36-S40 PolarHBondContact O-N 3.43Å; L36-S40 PolarHBondContact O-OG 3.3Å; K37-S40 PolarHBondContact O-N 3.13Å; K37-S40 PolarHBondContact O-OG 3.25Å; S40-Y42 PolarHBondContact O-N 2.83Å; S40-K43 PolarHBondContact O-N 2.91Å; S40-Q44 WeakPolarHBondContact O-CB 3.29Å; S40-Q44 PolarHBondContact O-N 3.12Å; S40-A68 VanDerWaalsContact CB-C 3.41Å; S40-A68 VanDerWaalsContact CB-O 3.28Å; S40-A68 WeakPolarHBondContact CB-O 3.44Å; S40-L72 VanDerWaalsContact C-CD1 3.42Å; S40-L72 VanDerWaalsContact O-CD1 3.32Å; S40-L72 WeakPolarHBondContact O-CD1 3.48Å
41F97.2Very high93.9Very high29 Ų2948.5 Ų48.513%0.12724%0.243CC..Hα-helixtrans-63.8-38.6176.1-63.9-42.7000112.3K37 Q44 A45 L72 M75 A83 Y84 E87K37-F41 HydrophobicContact CB-CD2 4.5Å; K37-F41 HydrophobicContact CB-CE2 4.22Å; K37-F41 WeakPolarHBondContact O-CD2 3.37Å; K37-F41 WeakPolarHBondContact O-CG 3.34Å; K37-F41 PolarHBondContact O-N 3.11Å; F41-Q44 PolarHBondContact O-N 2.96Å; F41-A45 VanDerWaalsContact O-CB 3.25Å; F41-A45 WeakPolarHBondContact O-CB 3.32Å; F41-A45 PolarHBondContact O-N 2.99Å; F41-L72 HydrophobicContact CD1-CD1 3.77Å; F41-L72 HydrophobicContact CD1-CD2 4.07Å; F41-L72 HydrophobicContact CE1-CD1 4.28Å; F41-L72 HydrophobicContact CE1-CD2 3.7Å; F41-M75 HydrophobicContact CD1-SD 4.32Å; F41-M75 HydrophobicContact CE1-CE 4.46Å; F41-M75 HydrophobicContact CE1-SD 4.37Å; F41-A83 HydrophobicContact CD1-CB 3.77Å; F41-A83 HydrophobicContact CD2-CB 4.27Å; F41-A83 HydrophobicContact CE1-CB 3.56Å; F41-A83 HydrophobicContact CE2-CB 4.07Å; F41-A83 HydrophobicContact CG-CB 4.14Å; F41-A83 HydrophobicContact CZ-CB 3.72Å; F41-Y84 HydrophobicContact CB-CD2 3.91Å; F41-Y84 HydrophobicContact CB-CG 4.46Å; F41-E87 HydrophobicContact CE2-CB 4.36Å
42Y96.5Very high94.3Very high17 Ų1750.2 Ų50.27%0.06725%0.249CC..Hα-helixtrans-60.2-52175.2177-96.4000111.4F12 V16 F38 Y39 S40 Q44 A45 T46 I215F12-Y42 HydrophobicContact CE2-CD2 4.4Å; F12-Y42 AromaticContact CZ-CD2 3.69Å; F12-Y42 HydrophobicContact CZ-CD2 3.69Å; F12-Y42 HydrophobicContact CZ-CE2 4.26Å; V16-Y42 HydrophobicContact CG1-CE2 4.16Å; V16-Y42 HydrophobicContact CG2-CD2 3.92Å; V16-Y42 HydrophobicContact CG2-CE2 4.19Å; F38-Y42 WeakPolarHBondContact O-CB 3.29Å; F38-Y42 PolarHBondContact O-N 2.82Å; Y39-Y42 PolarHBondContact O-N 2.89Å; S40-Y42 PolarHBondContact O-N 2.83Å; Y42-Q44 VanDerWaalsContact C-N 3.34Å; Y42-Q44 PolarHBondContact O-N 3.3Å; Y42-A45 PolarHBondContact O-N 2.91Å; Y42-T46 HydrophobicContact CD1-CG2 4.5Å; Y42-T46 HydrophobicContact CD2-CG2 4.32Å; Y42-T46 HydrophobicContact CE1-CG2 4.11Å; Y42-T46 HydrophobicContact CE2-CG2 3.91Å; Y42-T46 WeakPolarHBondContact O-CG2 3.3Å; Y42-T46 PolarHBondContact O-N 3.16Å; Y42-T46 PolarHBondContact O-OG1 3.26Å; Y42-I215 HydrophobicContact CD2-CG2 4.29Å; Y42-I215 HydrophobicContact CE1-CG2 4.04Å; Y42-I215 HydrophobicContact CE2-CG2 3.66Å
43K97.4Very high94.7Very high30 Ų3050 Ų5013%0.1326%0.256CS..Hα-helixtrans-63.4-38.2179.4-62-66.8-72.2175.20112.2Y39 S40 T46 E47 G48 W69Y39-K43 HydrophobicContact CD1-CG 4.3Å; Y39-K43 HydrophobicContact CD2-CG 4.16Å; Y39-K43 HydrophobicContact CE1-CG 3.8Å; Y39-K43 HydrophobicContact CE2-CD 3.83Å; Y39-K43 HydrophobicContact CE2-CG 3.66Å; Y39-K43 HydrophobicContact CG-CG 4.46Å; Y39-K43 VanDerWaalsContact CZ-CG 3.47Å; Y39-K43 WeakPolarHBondContact O-CG 3.42Å; Y39-K43 PolarHBondContact O-N 3.26Å; S40-K43 PolarHBondContact O-N 2.91Å; K43-T46 PolarHBondContact O-OG1 3.39Å; K43-E47 WeakPolarHBondContact CE-OE1 3.12Å; K43-E47 WeakPolarHBondContact CE-OE2 3.45Å; K43-E47 IonicContact NZ-OE1 3.72Å; K43-E47 PolarHBondContact NZ-OE1 3.19Å; K43-E47 IonicContact NZ-OE2 3.28Å; K43-E47 PolarHBondContact NZ-OE2 3.42Å; K43-E47 WeakPolarHBondContact O-CA 3.3Å; K43-E47 WeakPolarHBondContact O-CB 3.38Å; K43-E47 PolarHBondContact O-N 2.98Å; K43-G48 PolarHBondContact O-N 2.79Å; K43-W69 HydrophobicContact CB-CD2 3.63Å; K43-W69 HydrophobicContact CB-CE3 4.1Å; K43-W69 HydrophobicContact CB-CG 3.94Å; K43-W69 HydrophobicContact CB-CH2 4.4Å; K43-W69 HydrophobicContact CB-CZ2 4Å; K43-W69 HydrophobicContact CB-CZ3 4.45Å; K43-W69 HydrophobicContact CG-CD2 4.31Å; K43-W69 HydrophobicContact CG-CE3 4.34Å
44Q97.4Very high95Very high0 Ų049.5 Ų49.50%025%0.249CC..Hα-helixtrans-68.1-36.3175.5-162.579.7-2.100112S40 F41 Y42 G48 W69 L72 G73 M75 A80S40-Q44 WeakPolarHBondContact O-CB 3.29Å; S40-Q44 PolarHBondContact O-N 3.12Å; F41-Q44 PolarHBondContact O-N 2.96Å; Y42-Q44 VanDerWaalsContact C-N 3.34Å; Y42-Q44 PolarHBondContact O-N 3.3Å; Q44-G48 WeakPolarHBondContact O-CA 3.47Å; Q44-G48 PolarHBondContact O-N 3.05Å; Q44-G48 VanDerWaalsContact O-N 3.1Å; Q44-G48 PolarHBondContact OE1-O 3.4Å; Q44-G48 VanDerWaalsContact OE1-O 3.06Å; Q44-W69 VanDerWaalsContact OE1-CD1 3.25Å; Q44-L72 HydrophobicContact CB-CD1 3.7Å; Q44-L72 HydrophobicContact CG-CB 4.33Å; Q44-L72 HydrophobicContact CG-CD1 4.11Å; Q44-G73 PolarHBondContact NE2-O 3.38Å; Q44-M75 HydrophobicContact CG-CB 4.18Å; Q44-M75 HydrophobicContact CG-CG 4.29Å; Q44-M75 WeakPolarHBondContact CG-O 3.25Å; Q44-M75 HydrophobicContact CG-SD 4.46Å; Q44-M75 PolarHBondContact NE2-O 2.87Å; Q44-A80 HydrophobicContact CB-CB 3.72Å; Q44-A80 HydrophobicContact CG-CB 3.87Å
45A96Very high95.4Very high3 Ų349.7 Ų49.73%0.02525%0.253CS..Hα-helixtrans-70.1-38.5175.300000112.9F12 F41 Y42 K77 A80 M81F12-A45 HydrophobicContact CE1-CB 4.09Å; F12-A45 HydrophobicContact CE2-CB 3.83Å; F12-A45 HydrophobicContact CZ-CB 3.59Å; F41-A45 VanDerWaalsContact O-CB 3.25Å; F41-A45 WeakPolarHBondContact O-CB 3.32Å; F41-A45 PolarHBondContact O-N 2.99Å; Y42-A45 PolarHBondContact O-N 2.91Å; A45-K77 WeakPolarHBondContact O-CD 3.29Å; A45-K77 WeakPolarHBondContact O-CG 3.46Å; A45-A80 HydrophobicContact CB-CB 4.01Å; A45-M81 HydrophobicContact CB-CE 4.34Å; A45-M81 HydrophobicContact CB-CG 3.73Å
46T95.4Very high95.7Very high49 Ų4949.1 Ų49.130%0.30126%0.256SS..Hα-helixtrans-84.2-53.6-178.155.20000112.8Y42 K43 K77Y42-T46 HydrophobicContact CD1-CG2 4.5Å; Y42-T46 HydrophobicContact CD2-CG2 4.32Å; Y42-T46 HydrophobicContact CE1-CG2 4.11Å; Y42-T46 HydrophobicContact CE2-CG2 3.91Å; Y42-T46 WeakPolarHBondContact O-CG2 3.3Å; Y42-T46 PolarHBondContact O-N 3.16Å; Y42-T46 PolarHBondContact O-OG1 3.26Å; K43-T46 PolarHBondContact O-OG1 3.39Å; T46-K77 WeakPolarHBondContact O-CE 3.49Å; T46-K77 PolarHBondContact O-NZ 3.23Å
47E95.5Very high95.6Very high80 Ų8054.5 Ų54.537%0.37428%0.277SS..THydrogen-bonded Turntrans-100.8-24.3-173.1-75.8144.1-100.400113.4K43 W69K43-E47 WeakPolarHBondContact CE-OE1 3.12Å; K43-E47 WeakPolarHBondContact CE-OE2 3.45Å; K43-E47 IonicContact NZ-OE1 3.72Å; K43-E47 PolarHBondContact NZ-OE1 3.19Å; K43-E47 IonicContact NZ-OE2 3.28Å; K43-E47 PolarHBondContact NZ-OE2 3.42Å; K43-E47 WeakPolarHBondContact O-CA 3.3Å; K43-E47 WeakPolarHBondContact O-CB 3.38Å; K43-E47 PolarHBondContact O-N 2.98Å; E47-W69 HydrophobicContact CB-CH2 4.24Å; E47-W69 HydrophobicContact CB-CZ2 3.94Å; E47-W69 WeakPolarHBondContact OE2-CH2 3.36Å
48G95.1Very high95.7Very high3 Ų361.1 Ų61.13%0.03130%0.301CS..  trans87.5-158.5-173.300000112.8K43 Q44 W69K43-G48 PolarHBondContact O-N 2.79Å; Q44-G48 WeakPolarHBondContact O-CA 3.47Å; Q44-G48 PolarHBondContact O-N 3.05Å; Q44-G48 VanDerWaalsContact O-N 3.1Å; Q44-G48 PolarHBondContact OE1-O 3.4Å; Q44-G48 VanDerWaalsContact OE1-O 3.06Å; G48-W69 WeakPolarHBondContact O-CZ2 3.34Å; G48-W69 PolarHBondContact O-NE1 3Å
49P97.2Very high95.8Very high52 Ų5263.3 Ų63.334%0.33831%0.313SS..SBendtrans-51.9136.1-177.9-31.837.8000114.3K51 G73P49-K51 PolarHBondContact O-N 3.39Å; P49-G73 WeakPolarHBondContact CB-O 3.47Å
50C96.4Very high95.7Very high28 Ų2864.4 Ų64.419%0.18933%0.326CS..  trans-61122.5177.9-172.80000111.5W66 W69C50-W66 PolarHBondContact SG-NE1 3.13Å; C50-W69 HydrophobicContact CB-CD2 3.7Å; C50-W69 HydrophobicContact CB-CE3 4.18Å; C50-W69 HydrophobicContact CB-CG 3.88Å; C50-W69 HydrophobicContact CB-CZ2 4.37Å
51K95.4Very high95.5Very high180 Ų18070 Ų7078%0.78335%0.354SS*.  trans-116.6-1.8178.8-67.4164.5-168.6169.60113.4P49P49-K51 PolarHBondContact O-N 3.39Å
52L94.1Very high95.5Very high111 Ų11169.2 Ų69.258%0.58135%0.354SS*.SBendtrans-81.1153.7-176.3-58.2-179000110.6W66 W69L52-W66 PolarHBondContact O-NE1 3.08Å; L52-W69 HydrophobicContact CD1-CZ3 3.99Å
53S96.1Very high95.4Very high110 Ų11072.1 Ų72.177%0.76937%0.365SS*.PPolyproline II helixtrans-70145.7169.5500000111.1W66S53-W66 PolarHBondContact O-NE1 3.43Å
54R95.6Very high95.4Very high112 Ų11277.5 Ų77.542%0.42339%0.386SS..PPolyproline II helixtrans-64.7132.2177.7-172.1172.1-171.5-122.1-2.8111R63 W66 D67R54-R63 VanDerWaalsContact NH1-NH2 3.19Å; R54-W66 HydrophobicContact CB-CD2 3.75Å; R54-W66 HydrophobicContact CB-CE3 3.78Å; R54-W66 HydrophobicContact CB-CG 4.43Å; R54-W66 HydrophobicContact CB-CH2 3.98Å; R54-W66 HydrophobicContact CB-CZ2 3.91Å; R54-W66 HydrophobicContact CB-CZ3 3.91Å; R54-W66 HydrophobicContact CG-CD2 3.78Å; R54-W66 HydrophobicContact CG-CE3 3.48Å; R54-W66 VanDerWaalsContact CG-CE3 3.48Å; R54-W66 HydrophobicContact CG-CG 4.36Å; R54-W66 HydrophobicContact CG-CH2 4.44Å; R54-W66 HydrophobicContact CG-CZ3 3.86Å; R54-D67 IonicContact CZ-OD1 2.73Å; R54-D67 VanDerWaalsContact CZ-OD1 3.28Å; R54-D67 IonicContact CZ-OD2 2.9Å; R54-D67 IonicContact NE-OD1 3.23Å; R54-D67 PolarHBondContact NE-OD1 3.15Å; R54-D67 IonicContact NE-OD2 3.43Å; R54-D67 VanDerWaalsContact NH2-CG 3.34Å; R54-D67 IonicContact NH2-OD1 2.7Å; R54-D67 PolarHBondContact NH2-OD1 2.79Å; R54-D67 VanDerWaalsContact NH2-OD1 3.16Å; R54-D67 IonicContact NH2-OD2 3.96Å; R54-D67 PolarHBondContact NH2-OD2 3.42Å
55P96.1Very high95.3Very high36 Ų3680 Ų8023%0.23440%0.396CS..PPolyproline II helixtrans-60.1155.3179-28.137.6000114.8D59 R63 W66P55-D59 HydrophobicContact CB-CB 4.36Å; P55-R63 HydrophobicContact CB-CG 4.1Å; P55-R63 WeakPolarHBondContact O-CG 3.25Å; P55-R63 PolarHBondContact O-NE 2.9Å; P55-W66 HydrophobicContact CG-CB 4.31Å
56G95.1Very high95.4Very high21 Ų2182.3 Ų82.322%0.21640%0.404CS..PPolyproline II helixtrans-65.6165179.500000113.3W58 D59 R63G56-W58 PolarHBondContact O-N 3.46Å; G56-W58 VanDerWaalsContact O-N 3.14Å; G56-D59 PolarHBondContact O-N 3.27Å; G56-D59 VanDerWaalsContact O-N 3.13Å; G56-R63 WeakPolarHBondContact O-CD 3.48Å
57F92.7Very high95.4Very high160 Ų16082.4 Ų82.470%0.70240%0.403SS*.THydrogen-bonded Turntrans-65.4-20.7-172.976.3-92.8000114.4D59F57-D59 VanDerWaalsContact C-N 3.29Å
58W95.2Very high95.5Very high198 Ų19879.5 Ų79.575%0.7539%0.393SS*.THydrogen-bonded Turntrans-76.3-12.1177.958.684.7000113.8G56 P60G56-W58 PolarHBondContact O-N 3.46Å; G56-W58 VanDerWaalsContact O-N 3.14Å; W58-P60 VanDerWaalsContact O-CD 3.25Å; W58-P60 WeakPolarHBondContact O-CD 3.48Å
59D95.2Very high95.6Very high59 Ų5979.8 Ų79.832%0.31639%0.393SS..  trans-113.182.5175.9177.814.4000110.4P55 G56 F57 I61 G62 R63P55-D59 HydrophobicContact CB-CB 4.36Å; G56-D59 PolarHBondContact O-N 3.27Å; G56-D59 VanDerWaalsContact O-N 3.13Å; F57-D59 VanDerWaalsContact C-N 3.29Å; D59-I61 VanDerWaalsContact C-N 3.33Å; D59-I61 PolarHBondContact O-N 3.03Å; D59-I61 PolarHBondContact OD1-N 3.42Å; D59-G62 PolarHBondContact OD1-N 3.3Å; D59-G62 VanDerWaalsContact OD2-CA 3.29Å; D59-G62 WeakPolarHBondContact OD2-CA 3.33Å; D59-R63 WeakPolarHBondContact O-CB 3.38Å; D59-R63 WeakPolarHBondContact O-CG 3.4Å; D59-R63 PolarHBondContact O-N 2.92Å; D59-R63 VanDerWaalsContact O-N 3.12Å
60P93.7Very high95.6Very high69 Ų6979.5 Ų79.545%0.44839%0.392SS..Hα-helixtrans-65.4-36.3179.225.9-33.2000112W58 R63 Y64W58-P60 VanDerWaalsContact O-CD 3.25Å; W58-P60 WeakPolarHBondContact O-CD 3.48Å; P60-R63 WeakPolarHBondContact O-CB 3.43Å; P60-R63 PolarHBondContact O-N 2.89Å; P60-Y64 HydrophobicContact CB-CE2 4.26Å; P60-Y64 WeakPolarHBondContact O-CD2 3.36Å; P60-Y64 PolarHBondContact O-N 2.76Å
61I92.9Very high95.7Very high122 Ų12282.6 Ų82.663%0.62641%0.414SS*.Hα-helixtrans-68.9-48.3-176.4-60.7174.7000110.5D59 R63 Y64 K65D59-I61 VanDerWaalsContact C-N 3.33Å; D59-I61 PolarHBondContact O-N 3.03Å; D59-I61 PolarHBondContact OD1-N 3.42Å; I61-R63 VanDerWaalsContact C-N 3.28Å; I61-R63 PolarHBondContact O-N 3.02Å; I61-Y64 PolarHBondContact O-N 3Å; I61-K65 HydrophobicContact CG2-CD 4.18Å; I61-K65 WeakPolarHBondContact O-CG 3.43Å; I61-K65 PolarHBondContact O-N 2.68Å
62G95.5Very high95.7Very high13 Ų1375.3 Ų75.313%0.13438%0.383CS..Hα-helixtrans-62.7-34.7174.900000112.4D59 K65 W66D59-G62 PolarHBondContact OD1-N 3.3Å; D59-G62 VanDerWaalsContact OD2-CA 3.29Å; D59-G62 WeakPolarHBondContact OD2-CA 3.33Å; G62-K65 PolarHBondContact O-N 3.4Å; G62-W66 WeakPolarHBondContact O-CB 3.48Å; G62-W66 PolarHBondContact O-N 3.26Å
63R96.2Very high95.8Very high78 Ų7871.7 Ų71.729%0.29437%0.373SS..Hα-helixtrans-61.4-47.4170.6-74173.9115.4-163.40112.2R54 P55 G56 D59 P60 I61 W66 D67R54-R63 VanDerWaalsContact NH1-NH2 3.19Å; P55-R63 HydrophobicContact CB-CG 4.1Å; P55-R63 WeakPolarHBondContact O-CG 3.25Å; P55-R63 PolarHBondContact O-NE 2.9Å; G56-R63 WeakPolarHBondContact O-CD 3.48Å; D59-R63 WeakPolarHBondContact O-CB 3.38Å; D59-R63 WeakPolarHBondContact O-CG 3.4Å; D59-R63 PolarHBondContact O-N 2.92Å; D59-R63 VanDerWaalsContact O-N 3.12Å; P60-R63 WeakPolarHBondContact O-CB 3.43Å; P60-R63 PolarHBondContact O-N 2.89Å; I61-R63 VanDerWaalsContact C-N 3.28Å; I61-R63 PolarHBondContact O-N 3.02Å; R63-W66 PolarHBondContact O-N 3.36Å; R63-D67 VanDerWaalsContact O-CB 3.3Å; R63-D67 WeakPolarHBondContact O-CB 3.34Å; R63-D67 PolarHBondContact O-N 3.37Å
64Y96.2Very high95.9Very high144 Ų14473.6 Ų73.657%0.56538%0.375SS*.Hα-helixtrans-63.3-42.7177.1-65.8-56.1000112.5P60 I61 D67 A68P60-Y64 HydrophobicContact CB-CE2 4.26Å; P60-Y64 WeakPolarHBondContact O-CD2 3.36Å; P60-Y64 PolarHBondContact O-N 2.76Å; I61-Y64 PolarHBondContact O-N 3Å; Y64-D67 PolarHBondContact O-N 2.93Å; Y64-A68 VanDerWaalsContact O-CB 3.3Å; Y64-A68 WeakPolarHBondContact O-CB 3.24Å; Y64-A68 PolarHBondContact O-N 3.35Å
65K95.6Very high95.9Very high52 Ų5270.6 Ų70.623%0.22637%0.366CS..Hα-helixtrans-58.3-47.2173.5-75.9173.472178.90111.4L36 Y39 I61 G62 W69 D214L36-K65 HydrophobicContact CD2-CG 4.19Å; Y39-K65 HydrophobicContact CD1-CB 4Å; Y39-K65 HydrophobicContact CD1-CG 4.11Å; Y39-K65 HydrophobicContact CE1-CB 3.54Å; Y39-K65 HydrophobicContact CE1-CG 4.02Å; Y39-K65 WeakPolarHBondContact CE1-O 3.14Å; Y39-K65 HydrophobicContact CE2-CD 4.4Å; Y39-K65 HydrophobicContact CE2-CG 4.49Å; Y39-K65 HydrophobicContact CG-CG 4.41Å; I61-K65 HydrophobicContact CG2-CD 4.18Å; I61-K65 WeakPolarHBondContact O-CG 3.43Å; I61-K65 PolarHBondContact O-N 2.68Å; G62-K65 PolarHBondContact O-N 3.4Å; K65-W69 PolarHBondContact O-N 3.32Å; K65-W69 VanDerWaalsContact O-N 3.07Å; K65-D214 IonicContact NZ-OD2 2.69Å; K65-D214 PolarHBondContact NZ-OD2 2.86Å
66W97.6Very high95.9Very high51 Ų5172.3 Ų72.319%0.19338%0.376CS..Hα-helixtrans-67.2-43.7179.5-173.797.1000112.2C50 L52 S53 R54 P55 G62 R63 A68 W69 S70C50-W66 PolarHBondContact SG-NE1 3.13Å; L52-W66 PolarHBondContact O-NE1 3.08Å; S53-W66 PolarHBondContact O-NE1 3.43Å; R54-W66 HydrophobicContact CB-CD2 3.75Å; R54-W66 HydrophobicContact CB-CE3 3.78Å; R54-W66 HydrophobicContact CB-CG 4.43Å; R54-W66 HydrophobicContact CB-CH2 3.98Å; R54-W66 HydrophobicContact CB-CZ2 3.91Å; R54-W66 HydrophobicContact CB-CZ3 3.91Å; R54-W66 HydrophobicContact CG-CD2 3.78Å; R54-W66 HydrophobicContact CG-CE3 3.48Å; R54-W66 VanDerWaalsContact CG-CE3 3.48Å; R54-W66 HydrophobicContact CG-CG 4.36Å; R54-W66 HydrophobicContact CG-CH2 4.44Å; R54-W66 HydrophobicContact CG-CZ3 3.86Å; P55-W66 HydrophobicContact CG-CB 4.31Å; G62-W66 WeakPolarHBondContact O-CB 3.48Å; G62-W66 PolarHBondContact O-N 3.26Å; R63-W66 PolarHBondContact O-N 3.36Å; W66-A68 VanDerWaalsContact C-N 3.35Å; W66-A68 PolarHBondContact O-N 2.94Å; W66-W69 PolarHBondContact O-N 3.29Å; W66-S70 WeakPolarHBondContact CH2-OG 3.14Å; W66-S70 WeakPolarHBondContact O-CB 3.49Å; W66-S70 PolarHBondContact O-N 2.85Å
67D96.8Very high95.9Very high52 Ų5276.1 Ų76.128%0.27839%0.387SS..Hα-helixtrans-62.1-44.1178.5-69.7-24.3000110.5R54 R63 Y64 S71R54-D67 IonicContact CZ-OD1 2.73Å; R54-D67 VanDerWaalsContact CZ-OD1 3.28Å; R54-D67 IonicContact CZ-OD2 2.9Å; R54-D67 IonicContact NE-OD1 3.23Å; R54-D67 PolarHBondContact NE-OD1 3.15Å; R54-D67 IonicContact NE-OD2 3.43Å; R54-D67 VanDerWaalsContact NH2-CG 3.34Å; R54-D67 IonicContact NH2-OD1 2.7Å; R54-D67 PolarHBondContact NH2-OD1 2.79Å; R54-D67 VanDerWaalsContact NH2-OD1 3.16Å; R54-D67 IonicContact NH2-OD2 3.96Å; R54-D67 PolarHBondContact NH2-OD2 3.42Å; R63-D67 VanDerWaalsContact O-CB 3.3Å; R63-D67 WeakPolarHBondContact O-CB 3.34Å; R63-D67 PolarHBondContact O-N 3.37Å; Y64-D67 PolarHBondContact O-N 2.93Å; D67-S71 WeakPolarHBondContact O-CB 3.35Å; D67-S71 PolarHBondContact O-N 3.36Å; D67-S71 PolarHBondContact O-OG 2.86Å
68A97.1Very high96Very high18 Ų1873.3 Ų73.315%0.14938%0.376CS..Hα-helixtrans-61.7-47.8176.500000111.8L36 S40 Y64 W66 S71L36-A68 HydrophobicContact CB-CB 4.16Å; L36-A68 HydrophobicContact CD2-CB 4.48Å; S40-A68 VanDerWaalsContact CB-C 3.41Å; S40-A68 VanDerWaalsContact CB-O 3.28Å; S40-A68 WeakPolarHBondContact CB-O 3.44Å; Y64-A68 VanDerWaalsContact O-CB 3.3Å; Y64-A68 WeakPolarHBondContact O-CB 3.24Å; Y64-A68 PolarHBondContact O-N 3.35Å; W66-A68 VanDerWaalsContact C-N 3.35Å; W66-A68 PolarHBondContact O-N 2.94Å; A68-S71 PolarHBondContact O-N 3.5Å; A68-S71 PolarHBondContact O-OG 3.04Å
69W97.9Very high95.9Very high9 Ų968.8 Ų68.83%0.03436%0.363CS..Hα-helixtrans-67.9-45.9178.3-177.318.2000112.5Y39 K43 Q44 E47 G48 C50 L52 K65 W66 S71 L72Y39-W69 HydrophobicContact CE1-CB 4.36Å; K43-W69 HydrophobicContact CB-CD2 3.63Å; K43-W69 HydrophobicContact CB-CE3 4.1Å; K43-W69 HydrophobicContact CB-CG 3.94Å; K43-W69 HydrophobicContact CB-CH2 4.4Å; K43-W69 HydrophobicContact CB-CZ2 4Å; K43-W69 HydrophobicContact CB-CZ3 4.45Å; K43-W69 HydrophobicContact CG-CD2 4.31Å; K43-W69 HydrophobicContact CG-CE3 4.34Å; Q44-W69 VanDerWaalsContact OE1-CD1 3.25Å; E47-W69 HydrophobicContact CB-CH2 4.24Å; E47-W69 HydrophobicContact CB-CZ2 3.94Å; E47-W69 WeakPolarHBondContact OE2-CH2 3.36Å; G48-W69 WeakPolarHBondContact O-CZ2 3.34Å; G48-W69 PolarHBondContact O-NE1 3Å; C50-W69 HydrophobicContact CB-CD2 3.7Å; C50-W69 HydrophobicContact CB-CE3 4.18Å; C50-W69 HydrophobicContact CB-CG 3.88Å; C50-W69 HydrophobicContact CB-CZ2 4.37Å; L52-W69 HydrophobicContact CD1-CZ3 3.99Å; K65-W69 PolarHBondContact O-N 3.32Å; K65-W69 VanDerWaalsContact O-N 3.07Å; W66-W69 PolarHBondContact O-N 3.29Å; W69-S71 PolarHBondContact O-N 3.19Å; W69-L72 WeakPolarHBondContact O-CB 3.46Å; W69-L72 PolarHBondContact O-N 3.46Å; W69-L72 VanDerWaalsContact O-N 3.15Å
70S97.2Very high96Very high46 Ų4666 Ų6632%0.32235%0.348SS..Hα-helixtrans-63.7-24.9178.7-173.10000113W66 L72 G73W66-S70 WeakPolarHBondContact CH2-OG 3.14Å; W66-S70 WeakPolarHBondContact O-CB 3.49Å; W66-S70 PolarHBondContact O-N 2.85Å; S70-L72 PolarHBondContact O-N 3.33Å; S70-G73 PolarHBondContact O-N 3.41Å
71S97.2Very high95.9Very high93 Ų9363.9 Ų63.965%0.6533%0.332SS*.THydrogen-bonded Turntrans-70-16.6177.172.40000114.2D67 A68 W69 G73D67-S71 WeakPolarHBondContact O-CB 3.35Å; D67-S71 PolarHBondContact O-N 3.36Å; D67-S71 PolarHBondContact O-OG 2.86Å; A68-S71 PolarHBondContact O-N 3.5Å; A68-S71 PolarHBondContact O-OG 3.04Å; W69-S71 PolarHBondContact O-N 3.19Å; S71-G73 VanDerWaalsContact C-N 3.32Å
72L96.5Very high95.9Very high27 Ų2760.6 Ų60.614%0.14132%0.316CS..THydrogen-bonded Turntrans-79.4-13.4176-59.1-177.8000113.5S40 F41 Q44 W69 S70 D74 M75S40-L72 VanDerWaalsContact C-CD1 3.42Å; S40-L72 VanDerWaalsContact O-CD1 3.32Å; S40-L72 WeakPolarHBondContact O-CD1 3.48Å; F41-L72 HydrophobicContact CD1-CD1 3.77Å; F41-L72 HydrophobicContact CD1-CD2 4.07Å; F41-L72 HydrophobicContact CE1-CD1 4.28Å; F41-L72 HydrophobicContact CE1-CD2 3.7Å; Q44-L72 HydrophobicContact CB-CD1 3.7Å; Q44-L72 HydrophobicContact CG-CB 4.33Å; Q44-L72 HydrophobicContact CG-CD1 4.11Å; W69-L72 WeakPolarHBondContact O-CB 3.46Å; W69-L72 PolarHBondContact O-N 3.46Å; W69-L72 VanDerWaalsContact O-N 3.15Å; S70-L72 PolarHBondContact O-N 3.33Å; L72-D74 PolarHBondContact O-N 3.3Å; L72-M75 HydrophobicContact CB-CB 4.39Å; L72-M75 HydrophobicContact CB-SD 4.44Å; L72-M75 HydrophobicContact CD1-SD 4.35Å; L72-M75 HydrophobicContact CD2-CE 4.06Å; L72-M75 HydrophobicContact CD2-SD 4.24Å; L72-M75 VanDerWaalsContact O-CB 3.24Å; L72-M75 WeakPolarHBondContact O-CB 3.16Å; L72-M75 PolarHBondContact O-N 3.44Å
73G96.4Very high95.8Very high36 Ų3660.9 Ų60.937%0.37132%0.316SS..THydrogen-bonded Turntrans56.3-125.5175.100000113.6Q44 P49 S70 S71Q44-G73 PolarHBondContact NE2-O 3.38Å; P49-G73 WeakPolarHBondContact CB-O 3.47Å; S70-G73 PolarHBondContact O-N 3.41Å; S71-G73 VanDerWaalsContact C-N 3.32Å
74D96.6Very high95.7Very high149 Ų14957.3 Ų57.380%0.79730%0.303SS*.THydrogen-bonded Turntrans-90.57.2-176.760.4-24.6000114.7L72 T76L72-D74 PolarHBondContact O-N 3.3Å; D74-T76 PolarHBondContact O-N 3.25Å
75M96.6Very high95.4Very high50 Ų5051 Ų5125%0.24628%0.279CS..  trans-44.5130.5175175.9-178.3-71.500111.9F41 Q44 L72 E79 A80F41-M75 HydrophobicContact CD1-SD 4.32Å; F41-M75 HydrophobicContact CE1-CE 4.46Å; F41-M75 HydrophobicContact CE1-SD 4.37Å; Q44-M75 HydrophobicContact CG-CB 4.18Å; Q44-M75 HydrophobicContact CG-CG 4.29Å; Q44-M75 WeakPolarHBondContact CG-O 3.25Å; Q44-M75 HydrophobicContact CG-SD 4.46Å; Q44-M75 PolarHBondContact NE2-O 2.87Å; L72-M75 HydrophobicContact CB-CB 4.39Å; L72-M75 HydrophobicContact CB-SD 4.44Å; L72-M75 HydrophobicContact CD1-SD 4.35Å; L72-M75 HydrophobicContact CD2-CE 4.06Å; L72-M75 HydrophobicContact CD2-SD 4.24Å; L72-M75 VanDerWaalsContact O-CB 3.24Å; L72-M75 WeakPolarHBondContact O-CB 3.16Å; L72-M75 PolarHBondContact O-N 3.44Å; M75-E79 HydrophobicContact CG-CB 3.78Å; M75-A80 HydrophobicContact CG-CB 4.43Å; M75-A80 HydrophobicContact SD-CB 4.05Å
76T96.5Very high95.1Very high71 Ų7154.5 Ų54.544%0.43630%0.296SS..  trans-72.3161.7-177.466.70000112.1D74 E78 E79 A80D74-T76 PolarHBondContact O-N 3.25Å; T76-E78 VanDerWaalsContact C-N 3.27Å; T76-E78 PolarHBondContact O-N 2.98Å; T76-E79 VanDerWaalsContact CB-OE2 3.3Å; T76-E79 WeakPolarHBondContact CB-OE2 3.47Å; T76-E79 WeakPolarHBondContact CG2-OE2 3.22Å; T76-E79 PolarHBondContact N-OE2 3.47Å; T76-E79 PolarHBondContact O-N 3.14Å; T76-E79 VanDerWaalsContact OG1-CD 3.25Å; T76-E79 VanDerWaalsContact OG1-CG 3.26Å; T76-E79 WeakPolarHBondContact OG1-CG 3.46Å; T76-E79 PolarHBondContact OG1-N 3.2Å; T76-E79 PolarHBondContact OG1-OE2 3.13Å; T76-A80 WeakPolarHBondContact O-CB 3.32Å; T76-A80 PolarHBondContact O-N 2.79Å
77K95.4Very high94.7Very high102 Ų10253.3 Ų53.344%0.44329%0.293SS..Hα-helixtrans-59.2-38.7177.4-65.2-169.8171.7-160.80112.4A45 T46 A80 M81A45-K77 WeakPolarHBondContact O-CD 3.29Å; A45-K77 WeakPolarHBondContact O-CG 3.46Å; T46-K77 WeakPolarHBondContact O-CE 3.49Å; T46-K77 PolarHBondContact O-NZ 3.23Å; K77-A80 PolarHBondContact O-N 2.96Å; K77-M81 VanDerWaalsContact O-CG 3.25Å; K77-M81 WeakPolarHBondContact O-CG 3.38Å; K77-M81 PolarHBondContact O-N 2.68Å
78E93Very high94.1Very high101 Ų10151.1 Ų51.147%0.47228%0.281SS..Hα-helixtrans-70.4-42.8-179.5-175.3163.2-132.800112H8 T76 A80 M81 I82H8-E78 HydrophobicContact CB-CG 4.29Å; H8-E78 IonicContact CD2-OE1 2.69Å; H8-E78 PolarHBondContact CD2-OE1 2.89Å; H8-E78 VanDerWaalsContact CD2-OE1 3.23Å; H8-E78 IonicContact CG-OE1 3.61Å; T76-E78 VanDerWaalsContact C-N 3.27Å; T76-E78 PolarHBondContact O-N 2.98Å; E78-A80 VanDerWaalsContact C-N 3.32Å; E78-A80 PolarHBondContact O-N 3.36Å; E78-M81 WeakPolarHBondContact O-CB 3.16Å; E78-M81 PolarHBondContact O-N 3.37Å; E78-I82 HydrophobicContact CG-CD1 4.21Å; E78-I82 VanDerWaalsContact O-CG1 3.32Å; E78-I82 WeakPolarHBondContact O-CG1 3.39Å; E78-I82 PolarHBondContact O-N 3.02Å
79E94.4Very high93.4Very high102 Ų10252.2 Ų52.248%0.47728%0.283SS..Hα-helixtrans-60.6-41.1172.7-70.8164.5135.200111.7M75 T76 I82 A83M75-E79 HydrophobicContact CG-CB 3.78Å; T76-E79 VanDerWaalsContact CB-OE2 3.3Å; T76-E79 WeakPolarHBondContact CB-OE2 3.47Å; T76-E79 WeakPolarHBondContact CG2-OE2 3.22Å; T76-E79 PolarHBondContact N-OE2 3.47Å; T76-E79 PolarHBondContact O-N 3.14Å; T76-E79 VanDerWaalsContact OG1-CD 3.25Å; T76-E79 VanDerWaalsContact OG1-CG 3.26Å; T76-E79 WeakPolarHBondContact OG1-CG 3.46Å; T76-E79 PolarHBondContact OG1-N 3.2Å; T76-E79 PolarHBondContact OG1-OE2 3.13Å; E79-I82 PolarHBondContact O-N 3.36Å; E79-A83 WeakPolarHBondContact O-CB 3.25Å; E79-A83 PolarHBondContact O-N 2.86Å
80A96.1Very high92.6Very high0 Ų057 Ų570%030%0.304CS..Hα-helixtrans-64.7-39.5175.900000112.7Q44 A45 M75 T76 K77 E78 A83 Y84Q44-A80 HydrophobicContact CB-CB 3.72Å; Q44-A80 HydrophobicContact CG-CB 3.87Å; A45-A80 HydrophobicContact CB-CB 4.01Å; M75-A80 HydrophobicContact CG-CB 4.43Å; M75-A80 HydrophobicContact SD-CB 4.05Å; T76-A80 WeakPolarHBondContact O-CB 3.32Å; T76-A80 PolarHBondContact O-N 2.79Å; K77-A80 PolarHBondContact O-N 2.96Å; E78-A80 VanDerWaalsContact C-N 3.32Å; E78-A80 PolarHBondContact O-N 3.36Å; A80-A83 PolarHBondContact O-N 2.99Å; A80-Y84 WeakPolarHBondContact O-CB 3.4Å; A80-Y84 PolarHBondContact O-N 3.34Å
81M93.1Very high91.7Very high26 Ų2655.7 Ų55.713%0.12829%0.293CS..Hα-helixtrans-62.1-41.5173-72.7174.8-171.800112.1E9 F12 A45 K77 E78 V85E9-M81 HydrophobicContact CB-CE 4.48Å; E9-M81 HydrophobicContact CB-SD 3.94Å; E9-M81 HydrophobicContact CG-CE 4.14Å; E9-M81 HydrophobicContact CG-SD 4.21Å; F12-M81 HydrophobicContact CB-CB 3.86Å; F12-M81 HydrophobicContact CB-CG 3.8Å; F12-M81 HydrophobicContact CB-SD 4.43Å; F12-M81 HydrophobicContact CD1-CE 4.4Å; F12-M81 HydrophobicContact CD1-CG 3.96Å; F12-M81 HydrophobicContact CD2-CB 4.24Å; F12-M81 HydrophobicContact CD2-CG 4.02Å; F12-M81 HydrophobicContact CG-CB 4.1Å; F12-M81 HydrophobicContact CG-CG 3.66Å; A45-M81 HydrophobicContact CB-CE 4.34Å; A45-M81 HydrophobicContact CB-CG 3.73Å; K77-M81 VanDerWaalsContact O-CG 3.25Å; K77-M81 WeakPolarHBondContact O-CG 3.38Å; K77-M81 PolarHBondContact O-N 2.68Å; E78-M81 WeakPolarHBondContact O-CB 3.16Å; E78-M81 PolarHBondContact O-N 3.37Å; M81-V85 WeakPolarHBondContact O-CG2 3.33Å; M81-V85 PolarHBondContact O-N 3.36Å
82I92Very high90.6Very high53 Ų5351.8 Ų51.827%0.27227%0.265SS..Hα-helixtrans-64.1-51176-68.4162.2000110.3H8 E78 E79 Y84 V85 E86H8-I82 HydrophobicContact CB-CG1 4.44Å; H8-I82 WeakPolarHBondContact ND1-CG1 3.41Å; E78-I82 HydrophobicContact CG-CD1 4.21Å; E78-I82 VanDerWaalsContact O-CG1 3.32Å; E78-I82 WeakPolarHBondContact O-CG1 3.39Å; E78-I82 PolarHBondContact O-N 3.02Å; E79-I82 PolarHBondContact O-N 3.36Å; I82-Y84 VanDerWaalsContact C-N 3.31Å; I82-Y84 PolarHBondContact O-N 2.84Å; I82-V85 WeakPolarHBondContact O-CB 3.47Å; I82-V85 PolarHBondContact O-N 3Å; I82-V85 VanDerWaalsContact O-N 3.09Å; I82-E86 HydrophobicContact CG2-CG 4.28Å; I82-E86 WeakPolarHBondContact O-CG 3.15Å; I82-E86 PolarHBondContact O-N 3.18Å
83A93.9Very high89.4Confident18 Ų1857.3 Ų57.315%0.14929%0.29CS..Hα-helixtrans-61.3-37.3-178.800000112.8F41 E79 A80 E86 E87F41-A83 HydrophobicContact CD1-CB 3.77Å; F41-A83 HydrophobicContact CD2-CB 4.27Å; F41-A83 HydrophobicContact CE1-CB 3.56Å; F41-A83 HydrophobicContact CE2-CB 4.07Å; F41-A83 HydrophobicContact CG-CB 4.14Å; F41-A83 HydrophobicContact CZ-CB 3.72Å; E79-A83 WeakPolarHBondContact O-CB 3.25Å; E79-A83 PolarHBondContact O-N 2.86Å; A80-A83 PolarHBondContact O-N 2.99Å; A83-E86 PolarHBondContact O-N 3.1Å; A83-E87 PolarHBondContact O-N 3.24Å
84Y93.4Very high88Confident4 Ų460.9 Ų60.92%0.01630%0.304CS..Hα-helixtrans-60-45.4173.1-168.4-80.1000111.9F12 A15 V16 I19 F38 F41 A80 I82 M88F12-Y84 AromaticContact CD2-CD1 3.89Å; F12-Y84 HydrophobicContact CD2-CD1 3.89Å; F12-Y84 HydrophobicContact CD2-CD2 4.39Å; F12-Y84 AromaticContact CD2-CG 3.81Å; F12-Y84 HydrophobicContact CD2-CG 3.81Å; F12-Y84 HydrophobicContact CE2-CD1 4.07Å; F12-Y84 AromaticContact CE2-CD2 3.81Å; F12-Y84 HydrophobicContact CE2-CD2 3.81Å; F12-Y84 HydrophobicContact CE2-CE2 4.3Å; F12-Y84 AromaticContact CE2-CG 3.7Å; F12-Y84 HydrophobicContact CE2-CG 3.7Å; A15-Y84 HydrophobicContact CB-CD1 3.82Å; A15-Y84 HydrophobicContact CB-CE1 3.75Å; V16-Y84 HydrophobicContact CG2-CE1 3.82Å; V16-Y84 HydrophobicContact CG2-CE2 4.39Å; I19-Y84 HydrophobicContact CD1-CE1 3.69Å; I19-Y84 WeakPolarHBondContact CD1-OH 3.49Å; F38-Y84 HydrophobicContact CB-CE2 3.94Å; F38-Y84 HydrophobicContact CD1-CD1 4.37Å; F38-Y84 AromaticContact CD1-CD2 3.88Å; F38-Y84 HydrophobicContact CD1-CD2 3.88Å; F38-Y84 HydrophobicContact CD1-CE1 4.18Å; F38-Y84 AromaticContact CD1-CE2 3.65Å; F38-Y84 HydrophobicContact CD1-CE2 3.65Å; F38-Y84 HydrophobicContact CD1-CG 4.23Å; F38-Y84 AromaticContact CD1-CZ 3.81Å; F38-Y84 HydrophobicContact CE1-CE1 4.43Å; F38-Y84 HydrophobicContact CG-CE2 4.23Å; F38-Y84 WeakPolarHBondContact O-CE2 3.24Å; F41-Y84 HydrophobicContact CB-CD2 3.91Å; F41-Y84 HydrophobicContact CB-CG 4.46Å; A80-Y84 WeakPolarHBondContact O-CB 3.4Å; A80-Y84 PolarHBondContact O-N 3.34Å; I82-Y84 VanDerWaalsContact C-N 3.31Å; I82-Y84 PolarHBondContact O-N 2.84Å; Y84-M88 WeakPolarHBondContact O-CB 3.35Å; Y84-M88 PolarHBondContact O-N 3.34Å; Y84-M88 VanDerWaalsContact O-N 3.16Å
85V89.9Confident86.5Confident11 Ų1154.7 Ų54.77%0.06727%0.271CS..Hα-helixtrans-65.5-41.5177.5158.80000111.7R11 A15 M81 I82 M88 K89 F111 V115R11-V85 HydrophobicContact CB-CG2 4Å; A15-V85 HydrophobicContact CB-CG2 4.18Å; M81-V85 WeakPolarHBondContact O-CG2 3.33Å; M81-V85 PolarHBondContact O-N 3.36Å; I82-V85 WeakPolarHBondContact O-CB 3.47Å; I82-V85 PolarHBondContact O-N 3Å; I82-V85 VanDerWaalsContact O-N 3.09Å; V85-M88 PolarHBondContact O-N 3.46Å; V85-K89 WeakPolarHBondContact O-CG 3.46Å; V85-K89 PolarHBondContact O-N 3.33Å; V85-F111 HydrophobicContact CB-CZ 4.4Å; V85-F111 HydrophobicContact CG1-CE2 4.5Å; V85-F111 HydrophobicContact CG1-CZ 3.89Å; V85-F111 HydrophobicContact CG2-CE2 4.07Å; V85-F111 HydrophobicContact CG2-CZ 4.09Å; V85-V115 HydrophobicContact CG1-CG1 4.29Å; V85-V115 HydrophobicContact CG1-CG2 4.37Å
86E89.3Confident84.6Confident125 Ų12557.2 Ų57.258%0.58429%0.291SS*.Hα-helixtrans-69.1-44.6179.9-71.9-176167.900113I82 A83 M88 K89 K90I82-E86 HydrophobicContact CG2-CG 4.28Å; I82-E86 WeakPolarHBondContact O-CG 3.15Å; I82-E86 PolarHBondContact O-N 3.18Å; A83-E86 PolarHBondContact O-N 3.1Å; E86-M88 VanDerWaalsContact C-N 3.29Å; E86-M88 PolarHBondContact O-N 3.44Å; E86-K89 PolarHBondContact O-N 2.92Å; E86-K90 WeakPolarHBondContact O-CB 3.42Å; E86-K90 PolarHBondContact O-N 2.94Å
87E89.1Confident82.4Confident26 Ų2658 Ų5812%0.12129%0.291CS..Hα-helixtrans-65-36.2176.3-169.175.5170.200110.3K37 F38 F41 A83 K90 I91K37-E87 HydrophobicContact CD-CG 4.4Å; K37-E87 VanDerWaalsContact CD-OE1 3.23Å; K37-E87 WeakPolarHBondContact CD-OE1 3.28Å; K37-E87 IonicContact NZ-OE1 3.16Å; K37-E87 PolarHBondContact NZ-OE1 3.25Å; F38-E87 HydrophobicContact CE1-CB 4.45Å; F41-E87 HydrophobicContact CE2-CB 4.36Å; A83-E87 PolarHBondContact O-N 3.24Å; E87-K90 PolarHBondContact O-N 3.37Å; E87-K90 IonicContact OE1-NZ 2.61Å; E87-K90 WeakPolarHBondContact OE2-CD 3.21Å; E87-K90 IonicContact OE2-NZ 2.62Å; E87-K90 PolarHBondContact OE2-NZ 2.98Å; E87-I91 HydrophobicContact CG-CD1 4.17Å; E87-I91 WeakPolarHBondContact O-CD1 3.36Å; E87-I91 WeakPolarHBondContact O-CG1 3.23Å; E87-I91 PolarHBondContact O-N 2.98Å; E87-I91 VanDerWaalsContact O-N 3.09Å
88M84.3Confident80.5Confident7 Ų756.2 Ų56.23%0.03429%0.289CS..Hα-helixtrans-62.4-45173.2-165.5-18071.300112.7A15 V18 I19 F38 Y84 V85 E86 K90 I91 I92 I108 F111A15-M88 HydrophobicContact CB-CE 3.51Å; A15-M88 HydrophobicContact CB-SD 3.75Å; V18-M88 HydrophobicContact CB-SD 4.17Å; V18-M88 HydrophobicContact CG1-SD 3.85Å; I19-M88 HydrophobicContact CD1-CB 4.46Å; I19-M88 HydrophobicContact CD1-CG 4.06Å; I19-M88 HydrophobicContact CD1-SD 3.82Å; I19-M88 HydrophobicContact CG1-CG 4.48Å; I19-M88 HydrophobicContact CG1-SD 3.97Å; F38-M88 HydrophobicContact CE1-CB 3.94Å; F38-M88 HydrophobicContact CZ-CB 4.02Å; F38-M88 HydrophobicContact CZ-CG 4.36Å; Y84-M88 WeakPolarHBondContact O-CB 3.35Å; Y84-M88 PolarHBondContact O-N 3.34Å; Y84-M88 VanDerWaalsContact O-N 3.16Å; V85-M88 PolarHBondContact O-N 3.46Å; E86-M88 VanDerWaalsContact C-N 3.29Å; E86-M88 PolarHBondContact O-N 3.44Å; M88-K90 PolarHBondContact O-N 3.46Å; M88-I91 PolarHBondContact O-N 2.72Å; M88-I92 HydrophobicContact CG-CD1 4.14Å; M88-I92 WeakPolarHBondContact O-CD1 3.43Å; M88-I92 VanDerWaalsContact O-CG1 3.32Å; M88-I92 WeakPolarHBondContact O-CG1 3.47Å; M88-I92 PolarHBondContact O-N 2.63Å; M88-I92 VanDerWaalsContact O-N 3.16Å; M88-I108 HydrophobicContact CE-CG2 4.42Å; M88-F111 HydrophobicContact CE-CD1 3.72Å; M88-F111 HydrophobicContact CE-CD2 4.31Å; M88-F111 HydrophobicContact CE-CE1 3.18Å; M88-F111 HydrophobicContact CE-CE2 3.86Å; M88-F111 HydrophobicContact CE-CG 4.23Å; M88-F111 HydrophobicContact CE-CZ 3.23Å
89K81.8Confident78.8Confident41 Ų4159.4 Ų59.418%0.17830%0.304CS..Hα-helixtrans-57.5-49.8175.3-78.4-173.1161.3-162.20112.3V85 E86 I91 I92 E93 Y112 V115V85-K89 WeakPolarHBondContact O-CG 3.46Å; V85-K89 PolarHBondContact O-N 3.33Å; E86-K89 PolarHBondContact O-N 2.92Å; K89-I91 PolarHBondContact O-N 3.18Å; K89-I92 WeakPolarHBondContact O-CB 3.45Å; K89-I92 PolarHBondContact O-N 2.88Å; K89-I92 VanDerWaalsContact O-N 3.09Å; K89-E93 WeakPolarHBondContact O-CG 3.32Å; K89-E93 PolarHBondContact O-N 3.42Å; K89-Y112 HydrophobicContact CD-CE1 4.3Å; K89-Y112 HydrophobicContact CG-CE1 4.16Å; K89-V115 VanDerWaalsContact CE-CG1 3.47Å; K89-V115 VanDerWaalsContact NZ-CG1 3.32Å
90K82.4Confident76.9Confident108 Ų10860.9 Ų60.947%0.4731%0.308SS..Hα-helixtrans-57.7-37.6179.8177.6-177.6166.7-1620112.3E86 E87 M88 E93 T94E86-K90 WeakPolarHBondContact O-CB 3.42Å; E86-K90 PolarHBondContact O-N 2.94Å; E87-K90 PolarHBondContact O-N 3.37Å; E87-K90 IonicContact OE1-NZ 2.61Å; E87-K90 WeakPolarHBondContact OE2-CD 3.21Å; E87-K90 IonicContact OE2-NZ 2.62Å; E87-K90 PolarHBondContact OE2-NZ 2.98Å; M88-K90 PolarHBondContact O-N 3.46Å; K90-E93 PolarHBondContact O-N 3.46Å; K90-T94 WeakPolarHBondContact O-CB 3.46Å; K90-T94 PolarHBondContact O-N 3.29Å; K90-T94 PolarHBondContact O-OG1 3.41Å
91I78.3Confident75Confident19 Ų1961.1 Ų61.110%0.09731%0.31CS..Hα-helixtrans-66.6-44.8176.7-69.5165.1000110.8F28 M34 F38 E87 M88 K89 E93 T94 M95F28-I91 HydrophobicContact CE1-CG2 4.23Å; F28-I91 HydrophobicContact CE2-CG2 4.34Å; F28-I91 HydrophobicContact CZ-CG2 3.55Å; M34-I91 HydrophobicContact CB-CD1 4.37Å; M34-I91 HydrophobicContact CE-CB 4.44Å; M34-I91 HydrophobicContact CE-CD1 3.59Å; M34-I91 HydrophobicContact CE-CG1 3.77Å; M34-I91 HydrophobicContact CE-CG2 3.8Å; M34-I91 HydrophobicContact CG-CD1 4.21Å; F38-I91 HydrophobicContact CE2-CD1 3.46Å; F38-I91 VanDerWaalsContact CE2-CD1 3.46Å; F38-I91 HydrophobicContact CZ-CD1 3.47Å; F38-I91 VanDerWaalsContact CZ-CD1 3.47Å; E87-I91 HydrophobicContact CG-CD1 4.17Å; E87-I91 WeakPolarHBondContact O-CD1 3.36Å; E87-I91 WeakPolarHBondContact O-CG1 3.23Å; E87-I91 PolarHBondContact O-N 2.98Å; E87-I91 VanDerWaalsContact O-N 3.09Å; M88-I91 PolarHBondContact O-N 2.72Å; K89-I91 PolarHBondContact O-N 3.18Å; I91-E93 VanDerWaalsContact C-N 3.32Å; I91-E93 PolarHBondContact O-N 2.88Å; I91-T94 PolarHBondContact O-N 3.25Å; I91-M95 HydrophobicContact CG2-SD 4.34Å; I91-M95 WeakPolarHBondContact O-CG 3.25Å; I91-M95 PolarHBondContact O-N 2.99Å
92I72.8Confident73.3Confident12 Ų1264.7 Ų64.76%0.06233%0.326CS..Hα-helixtrans-62.6-39.2176.9-63.1161.8000111.2M88 K89 L105 I108 Y112M88-I92 HydrophobicContact CG-CD1 4.14Å; M88-I92 WeakPolarHBondContact O-CD1 3.43Å; M88-I92 VanDerWaalsContact O-CG1 3.32Å; M88-I92 WeakPolarHBondContact O-CG1 3.47Å; M88-I92 PolarHBondContact O-N 2.63Å; M88-I92 VanDerWaalsContact O-N 3.16Å; K89-I92 WeakPolarHBondContact O-CB 3.45Å; K89-I92 PolarHBondContact O-N 2.88Å; K89-I92 VanDerWaalsContact O-N 3.09Å; I92-L105 HydrophobicContact CG2-CD2 3.62Å; I92-I108 HydrophobicContact CD1-CD1 3.59Å; I92-I108 HydrophobicContact CD1-CG2 4.01Å; I92-I108 HydrophobicContact CG1-CD1 4.18Å; I92-Y112 HydrophobicContact CD1-CE2 3.92Å; I92-Y112 HydrophobicContact CG2-CE2 4.34Å
93E72.6Confident71.8Confident142 Ų14268.7 Ų68.766%0.66434%0.344SS*.Hα-helixtrans-68.8-30.8175.6-72.1170.7-162.500113.4K89 K90 I91K89-E93 WeakPolarHBondContact O-CG 3.32Å; K89-E93 PolarHBondContact O-N 3.42Å; K90-E93 PolarHBondContact O-N 3.46Å; I91-E93 VanDerWaalsContact C-N 3.32Å; I91-E93 PolarHBondContact O-N 2.88Å
94T66.8Low70.2Confident111 Ų11169.4 Ų69.468%0.68135%0.345SS*.Hα-helixtrans-87.5-15.4-178.9-49.50000112.6K90 I91K90-T94 WeakPolarHBondContact O-CB 3.46Å; K90-T94 PolarHBondContact O-N 3.29Å; K90-T94 PolarHBondContact O-OG1 3.41Å; I91-T94 PolarHBondContact O-N 3.25Å
95M64.3Low68.8Low20 Ų2071.6 Ų71.610%0.09936%0.357CS..SBendtrans-71130.4177.4-81.4175.467.700111.7F28 I91 M97 V101F28-M95 HydrophobicContact CB-CE 3.68Å; F28-M95 HydrophobicContact CD1-CE 4.13Å; F28-M95 HydrophobicContact CD1-SD 4.03Å; F28-M95 HydrophobicContact CD2-CE 3.54Å; F28-M95 HydrophobicContact CD2-CG 3.91Å; F28-M95 HydrophobicContact CD2-SD 3.57Å; F28-M95 VanDerWaalsContact CD2-SD 3.57Å; F28-M95 HydrophobicContact CE1-SD 4.02Å; F28-M95 HydrophobicContact CE2-CE 4.18Å; F28-M95 HydrophobicContact CE2-CG 3.72Å; F28-M95 HydrophobicContact CE2-SD 3.56Å; F28-M95 VanDerWaalsContact CE2-SD 3.56Å; F28-M95 HydrophobicContact CG-CE 3.49Å; F28-M95 VanDerWaalsContact CG-CE 3.49Å; F28-M95 HydrophobicContact CG-SD 3.8Å; F28-M95 HydrophobicContact CZ-CG 4.36Å; F28-M95 HydrophobicContact CZ-SD 3.78Å; I91-M95 HydrophobicContact CG2-SD 4.34Å; I91-M95 WeakPolarHBondContact O-CG 3.25Å; I91-M95 PolarHBondContact O-N 2.99Å; M95-M97 PolarHBondContact O-N 3.32Å; M95-V101 HydrophobicContact CB-CG1 4.42Å; M95-V101 HydrophobicContact CE-CB 4.36Å; M95-V101 HydrophobicContact CE-CG1 3.95Å; M95-V101 HydrophobicContact CE-CG2 3.58Å
96P57.3Low67.4Low102 Ų10280.1 Ų80.166%0.66239%0.388SS*.  trans-64.9128.5169.727.7-32.9000109.2T98P96-T98 PolarHBondContact O-N 2.92Å
97M51.4Low66Low87 Ų8778.3 Ų78.343%0.42939%0.385SS..  trans-65.495.6179.1-66.9-66.3143.600110.1M95 V101 L105M95-M97 PolarHBondContact O-N 3.32Å; M97-V101 HydrophobicContact CE-CG1 4.1Å; M97-V101 HydrophobicContact SD-CB 4.35Å; M97-V101 HydrophobicContact SD-CG1 3.95Å; M97-L105 HydrophobicContact CE-CD1 3.96Å; M97-L105 HydrophobicContact SD-CD1 3.62Å
98T54.5Low64.7Low65 Ų6577.2 Ų77.240%0.39938%0.38SS..  trans-103.1160163.964.20000108.3P96 K100 V101 E102P96-T98 PolarHBondContact O-N 2.92Å; T98-K100 PolarHBondContact O-N 3.48Å; T98-V101 WeakPolarHBondContact O-CA 3.38Å; T98-V101 WeakPolarHBondContact O-CB 3.34Å; T98-V101 PolarHBondContact O-N 3.16Å; T98-V101 WeakPolarHBondContact OG1-CG2 3.34Å; T98-E102 PolarHBondContact O-N 2.95Å
99E57.3Low63.7Low169 Ų16978.4 Ų78.479%0.7939%0.394SS*.Hα-helixtrans-50.9-31.3-176.5-62.1167.6172.800113.3V101 E102 E103E99-V101 VanDerWaalsContact C-N 3.33Å; E99-V101 PolarHBondContact O-N 3.34Å; E99-E102 PolarHBondContact O-N 3.39Å; E99-E103 PolarHBondContact O-N 2.9Å
100K53.8Low62.9Low132 Ų13280 Ų8057%0.57441%0.409SS*.Hα-helixtrans-74-20.7178.5-58.2171.2-172.6171.50113.6T98 L104T98-K100 PolarHBondContact O-N 3.48Å; K100-L104 PolarHBondContact O-N 3.09Å
101V56.6Low61.9Low5 Ų575.2 Ų75.23%0.0339%0.388CS..Hα-helixtrans-81.3-29.3173.1-166.80000110.4M95 M97 T98 E99 L104 L105M95-V101 HydrophobicContact CB-CG1 4.42Å; M95-V101 HydrophobicContact CE-CB 4.36Å; M95-V101 HydrophobicContact CE-CG1 3.95Å; M95-V101 HydrophobicContact CE-CG2 3.58Å; M97-V101 HydrophobicContact CE-CG1 4.1Å; M97-V101 HydrophobicContact SD-CB 4.35Å; M97-V101 HydrophobicContact SD-CG1 3.95Å; T98-V101 WeakPolarHBondContact O-CA 3.38Å; T98-V101 WeakPolarHBondContact O-CB 3.34Å; T98-V101 PolarHBondContact O-N 3.16Å; T98-V101 WeakPolarHBondContact OG1-CG2 3.34Å; E99-V101 VanDerWaalsContact C-N 3.33Å; E99-V101 PolarHBondContact O-N 3.34Å; V101-L104 PolarHBondContact O-N 3.05Å; V101-L105 HydrophobicContact CG1-CD1 4.47Å; V101-L105 HydrophobicContact CG1-CG 4.48Å; V101-L105 WeakPolarHBondContact O-CB 3.35Å; V101-L105 VanDerWaalsContact O-CG 3.3Å; V101-L105 WeakPolarHBondContact O-CG 3.32Å; V101-L105 PolarHBondContact O-N 3.49Å
102E57.3Low61.1Low102 Ų10276.2 Ų76.248%0.47739%0.39SS..Hα-helixtrans-67.4-39174.2-58.8-169.2159.700111.7T98 E99 L105 R106T98-E102 PolarHBondContact O-N 2.95Å; E99-E102 PolarHBondContact O-N 3.39Å; E102-L105 PolarHBondContact O-N 2.62Å; E102-R106 PolarHBondContact O-N 2.99Å
103E60.8Low60.7Low136 Ų13683.3 Ų83.364%0.63642%0.424SS*.Hα-helixtrans-59.8-45.8171-176.6171.3-14800111.6E99 R106 V107E99-E103 PolarHBondContact O-N 2.9Å; E103-R106 WeakPolarHBondContact O-CB 3.35Å; E103-R106 PolarHBondContact O-N 3.45Å; E103-V107 PolarHBondContact O-N 3.42Å
104L60.8Low60.1Low33 Ų3380.3 Ų80.317%0.17341%0.411CS..Hα-helixtrans-62.7-45.3175.2-178.459.6000111.8L22 K100 V101 R106 V107 I108L22-L104 HydrophobicContact CD2-CD1 3.53Å; L22-L104 HydrophobicContact CD2-CD2 3.73Å; L22-L104 HydrophobicContact CD2-CG 4.29Å; K100-L104 PolarHBondContact O-N 3.09Å; V101-L104 PolarHBondContact O-N 3.05Å; L104-R106 PolarHBondContact O-N 3.03Å; L104-V107 WeakPolarHBondContact O-CA 3.48Å; L104-V107 WeakPolarHBondContact O-CB 3.3Å; L104-V107 PolarHBondContact O-N 3.09Å; L104-I108 HydrophobicContact CD1-CD1 3.74Å; L104-I108 HydrophobicContact CD1-CG1 4.1Å; L104-I108 HydrophobicContact CD2-CD1 4.2Å; L104-I108 HydrophobicContact CG-CD1 3.61Å; L104-I108 HydrophobicContact CG-CG1 4.27Å; L104-I108 VanDerWaalsContact O-CG1 3.3Å; L104-I108 WeakPolarHBondContact O-CG1 3.5Å; L104-I108 PolarHBondContact O-N 3.5Å
105L63.2Low59.8Low50 Ų5076 Ų7626%0.26238%0.384SS..Hα-helixtrans-60.3-29.5174.7-77.4171.6000112.5I92 M97 V101 E102 V107 I108 G109I92-L105 HydrophobicContact CG2-CD2 3.62Å; M97-L105 HydrophobicContact CE-CD1 3.96Å; M97-L105 HydrophobicContact SD-CD1 3.62Å; V101-L105 HydrophobicContact CG1-CD1 4.47Å; V101-L105 HydrophobicContact CG1-CG 4.48Å; V101-L105 WeakPolarHBondContact O-CB 3.35Å; V101-L105 VanDerWaalsContact O-CG 3.3Å; V101-L105 WeakPolarHBondContact O-CG 3.32Å; V101-L105 PolarHBondContact O-N 3.49Å; E102-L105 PolarHBondContact O-N 2.62Å; L105-V107 VanDerWaalsContact C-N 3.3Å; L105-V107 PolarHBondContact O-N 3.43Å; L105-I108 PolarHBondContact O-N 3.02Å; L105-G109 WeakPolarHBondContact O-CA 3.24Å; L105-G109 PolarHBondContact O-N 2.91Å
106R61.5Low59.7Low191 Ų19180.1 Ų80.172%0.72140%0.403SS*.Hα-helixtrans-68.4-29.3173.8-143.9172.592-159.17.2112.6E102 E103 L104E102-R106 PolarHBondContact O-N 2.99Å; E103-R106 WeakPolarHBondContact O-CB 3.35Å; E103-R106 PolarHBondContact O-N 3.45Å; L104-R106 PolarHBondContact O-N 3.03Å
107V58.5Low59.4Low87 Ų8781.4 Ų81.453%0.52741%0.405SS..Hα-helixtrans-80.5-35.2172.9179.60000111.7E103 L104 L105E103-V107 PolarHBondContact O-N 3.42Å; L104-V107 WeakPolarHBondContact O-CA 3.48Å; L104-V107 WeakPolarHBondContact O-CB 3.3Å; L104-V107 PolarHBondContact O-N 3.09Å; L105-V107 VanDerWaalsContact C-N 3.3Å; L105-V107 PolarHBondContact O-N 3.43Å
108I63.1Low59.4Low2 Ų286 Ų861%0.0142%0.422CS..Hα-helixtrans-88-13.8-178.4-51175.2000112.3V18 M88 I92 L104 L105 F111 Y112V18-I108 HydrophobicContact CB-CG1 4.36Å; V18-I108 HydrophobicContact CG1-CD1 3.47Å; V18-I108 VanDerWaalsContact CG1-CD1 3.47Å; V18-I108 HydrophobicContact CG1-CG1 3.55Å; V18-I108 HydrophobicContact CG2-CG1 3.82Å; M88-I108 HydrophobicContact CE-CG2 4.42Å; I92-I108 HydrophobicContact CD1-CD1 3.59Å; I92-I108 HydrophobicContact CD1-CG2 4.01Å; I92-I108 HydrophobicContact CG1-CD1 4.18Å; L104-I108 HydrophobicContact CD1-CD1 3.74Å; L104-I108 HydrophobicContact CD1-CG1 4.1Å; L104-I108 HydrophobicContact CD2-CD1 4.2Å; L104-I108 HydrophobicContact CG-CD1 3.61Å; L104-I108 HydrophobicContact CG-CG1 4.27Å; L104-I108 VanDerWaalsContact O-CG1 3.3Å; L104-I108 WeakPolarHBondContact O-CG1 3.5Å; L104-I108 PolarHBondContact O-N 3.5Å; L105-I108 PolarHBondContact O-N 3.02Å; I108-F111 HydrophobicContact CG2-CB 4.04Å; I108-F111 HydrophobicContact CG2-CD1 3.49Å; I108-F111 VanDerWaalsContact CG2-CD1 3.49Å; I108-F111 HydrophobicContact CG2-CE1 4.31Å; I108-F111 HydrophobicContact CG2-CG 4.12Å; I108-F111 CarbonylContact O-C 3.57Å; I108-F111 WeakPolarHBondContact O-CA 3.26Å; I108-F111 VanDerWaalsContact O-CB 3.29Å; I108-F111 WeakPolarHBondContact O-CB 3.32Å; I108-F111 PolarHBondContact O-N 3.16Å; I108-Y112 HydrophobicContact CG2-CD2 3.78Å; I108-Y112 HydrophobicContact CG2-CE2 3.94Å; I108-Y112 PolarHBondContact O-N 3.44Å
109G63.5Low58.8Low32 Ų3293.1 Ų93.133%0.3345%0.448SS..Hα-helixtrans-49.2-51.4177.500000113.9L105 F111 Y112 E113L105-G109 WeakPolarHBondContact O-CA 3.24Å; L105-G109 PolarHBondContact O-N 2.91Å; G109-F111 VanDerWaalsContact C-N 3.25Å; G109-F111 PolarHBondContact O-N 3.09Å; G109-Y112 PolarHBondContact O-N 3.28Å; G109-Y112 VanDerWaalsContact O-N 3.12Å; G109-E113 PolarHBondContact O-N 3.47Å
110P63.7Low58.1Low76 Ų7691.2 Ų91.249%0.49445%0.453SS..Hα-helixtrans-59.7-31.4173.8-25.735.6000113.9I114P110-I114 VanDerWaalsContact O-CD1 3.31Å; P110-I114 WeakPolarHBondContact O-CD1 3.15Å; P110-I114 VanDerWaalsContact O-CG1 3.23Å; P110-I114 WeakPolarHBondContact O-CG1 3.28Å; P110-I114 PolarHBondContact O-N 3.26Å
111F62.4Low57.7Low6 Ų688.2 Ų88.23%0.02646%0.46CS..Hα-helixtrans-70.1-43.7173162.4-90.3000111.6R11 A14 A15 V85 M88 I108 G109 E113 I114 V115R11-F111 HydrophobicContact CB-CE2 4.23Å; R11-F111 VanDerWaalsContact O-CE2 3.24Å; R11-F111 WeakPolarHBondContact O-CE2 3.37Å; A14-F111 HydrophobicContact CB-CB 4.44Å; A14-F111 HydrophobicContact CB-CD2 3.81Å; A15-F111 HydrophobicContact CB-CD2 4.48Å; A15-F111 HydrophobicContact CB-CE2 3.77Å; A15-F111 HydrophobicContact CB-CZ 4.12Å; V85-F111 HydrophobicContact CB-CZ 4.4Å; V85-F111 HydrophobicContact CG1-CE2 4.5Å; V85-F111 HydrophobicContact CG1-CZ 3.89Å; V85-F111 HydrophobicContact CG2-CE2 4.07Å; V85-F111 HydrophobicContact CG2-CZ 4.09Å; M88-F111 HydrophobicContact CE-CD1 3.72Å; M88-F111 HydrophobicContact CE-CD2 4.31Å; M88-F111 HydrophobicContact CE-CE1 3.18Å; M88-F111 HydrophobicContact CE-CE2 3.86Å; M88-F111 HydrophobicContact CE-CG 4.23Å; M88-F111 HydrophobicContact CE-CZ 3.23Å; I108-F111 HydrophobicContact CG2-CB 4.04Å; I108-F111 HydrophobicContact CG2-CD1 3.49Å; I108-F111 VanDerWaalsContact CG2-CD1 3.49Å; I108-F111 HydrophobicContact CG2-CE1 4.31Å; I108-F111 HydrophobicContact CG2-CG 4.12Å; I108-F111 CarbonylContact O-C 3.57Å; I108-F111 WeakPolarHBondContact O-CA 3.26Å; I108-F111 VanDerWaalsContact O-CB 3.29Å; I108-F111 WeakPolarHBondContact O-CB 3.32Å; I108-F111 PolarHBondContact O-N 3.16Å; G109-F111 VanDerWaalsContact C-N 3.25Å; G109-F111 PolarHBondContact O-N 3.09Å; F111-E113 VanDerWaalsContact C-N 3.31Å; F111-E113 PolarHBondContact O-N 3.31Å; F111-I114 PolarHBondContact O-N 3.19Å; F111-V115 HydrophobicContact CD1-CG2 4.22Å; F111-V115 HydrophobicContact CD2-CG2 4.02Å; F111-V115 HydrophobicContact CE1-CG2 3.89Å; F111-V115 HydrophobicContact CE2-CG2 3.65Å; F111-V115 HydrophobicContact CG-CG2 4.32Å; F111-V115 HydrophobicContact CZ-CG2 3.62Å; F111-V115 WeakPolarHBondContact O-CG2 3.37Å; F111-V115 PolarHBondContact O-N 2.98Å
112Y61.9Low57.1Low40 Ų4099.6 Ų99.616%0.15750%0.502CS..Hα-helixtrans-62-39175.7-93.8-87.6000111.9K89 I92 I108 G109 I114 V115 E116K89-Y112 HydrophobicContact CD-CE1 4.3Å; K89-Y112 HydrophobicContact CG-CE1 4.16Å; I92-Y112 HydrophobicContact CD1-CE2 3.92Å; I92-Y112 HydrophobicContact CG2-CE2 4.34Å; I108-Y112 HydrophobicContact CG2-CD2 3.78Å; I108-Y112 HydrophobicContact CG2-CE2 3.94Å; I108-Y112 PolarHBondContact O-N 3.44Å; G109-Y112 PolarHBondContact O-N 3.28Å; G109-Y112 VanDerWaalsContact O-N 3.12Å; Y112-I114 VanDerWaalsContact C-N 3.3Å; Y112-I114 PolarHBondContact O-N 3.01Å; Y112-V115 PolarHBondContact O-N 2.73Å; Y112-E116 HydrophobicContact CD1-CG 4.26Å; Y112-E116 WeakPolarHBondContact CD1-OE1 3.41Å; Y112-E116 WeakPolarHBondContact O-CB 3.33Å; Y112-E116 PolarHBondContact O-N 3.06Å
113E63.8Low56.6Low162 Ų16298.1 Ų98.176%0.75750%0.504SS*.Hα-helixtrans-61.3-37.3175.4-167169.3-159.600112.3G109 F111G109-E113 PolarHBondContact O-N 3.47Å; F111-E113 VanDerWaalsContact C-N 3.31Å; F111-E113 PolarHBondContact O-N 3.31Å
114I60.7Low56Low79 Ų7995.1 Ų95.141%0.40550%0.497SS..Hα-helixtrans-73.2-26.2173.6-64162.8000112.2T10 R11 P110 F111 Y112T10-I114 HydrophobicContact CG2-CG2 4.42Å; R11-I114 HydrophobicContact CG-CG2 3.86Å; R11-I114 VanDerWaalsContact CZ-O 3.26Å; R11-I114 PolarHBondContact NE-O 2.67Å; R11-I114 PolarHBondContact NH2-O 3.34Å; P110-I114 VanDerWaalsContact O-CD1 3.31Å; P110-I114 WeakPolarHBondContact O-CD1 3.15Å; P110-I114 VanDerWaalsContact O-CG1 3.23Å; P110-I114 WeakPolarHBondContact O-CG1 3.28Å; P110-I114 PolarHBondContact O-N 3.26Å; F111-I114 PolarHBondContact O-N 3.19Å; Y112-I114 VanDerWaalsContact C-N 3.3Å; Y112-I114 PolarHBondContact O-N 3.01Å
115V59.7Low55.2Low19 Ų1999.2 Ų99.212%0.11552%0.52CS..Hα-helixtrans-89.4-34.4-179.6-170.80000113.4R11 V85 K89 F111 Y112 D117R11-V115 HydrophobicContact CB-CG2 4.12Å; R11-V115 HydrophobicContact CG-CG2 3.64Å; R11-V115 PolarHBondContact NH2-O 3.3Å; R11-V115 VanDerWaalsContact NH2-O 3.14Å; V85-V115 HydrophobicContact CG1-CG1 4.29Å; V85-V115 HydrophobicContact CG1-CG2 4.37Å; K89-V115 VanDerWaalsContact CE-CG1 3.47Å; K89-V115 VanDerWaalsContact NZ-CG1 3.32Å; F111-V115 HydrophobicContact CD1-CG2 4.22Å; F111-V115 HydrophobicContact CD2-CG2 4.02Å; F111-V115 HydrophobicContact CE1-CG2 3.89Å; F111-V115 HydrophobicContact CE2-CG2 3.65Å; F111-V115 HydrophobicContact CG-CG2 4.32Å; F111-V115 HydrophobicContact CZ-CG2 3.62Å; F111-V115 WeakPolarHBondContact O-CG2 3.37Å; F111-V115 PolarHBondContact O-N 2.98Å; Y112-V115 PolarHBondContact O-N 2.73Å; V115-D117 VanDerWaalsContact C-N 3.27Å; V115-D117 PolarHBondContact O-N 2.97Å; V115-D117 VanDerWaalsContact O-N 3.11Å
116E61.7Low54.5Low107 Ų107101.7 Ų101.750%0.553%0.532SS..  trans-87.948.4-175.5-65.1-162.2177.900113.9Y112 K118Y112-E116 HydrophobicContact CD1-CG 4.26Å; Y112-E116 WeakPolarHBondContact CD1-OE1 3.41Å; Y112-E116 WeakPolarHBondContact O-CB 3.33Å; Y112-E116 PolarHBondContact O-N 3.06Å; E116-K118 VanDerWaalsContact C-N 3.26Å; E116-K118 PolarHBondContact O-N 2.96Å
117D50.3Low54.1Low129 Ų12995.3 Ų95.369%0.6951%0.514SS*.  trans-76.681.5174.3-144.9-14.6000111.2V115V115-D117 VanDerWaalsContact C-N 3.27Å; V115-D117 PolarHBondContact O-N 2.97Å; V115-D117 VanDerWaalsContact O-N 3.11Å
118K52.6Low53.6Low184 Ų18494.3 Ų94.380%0.851%0.511SS*.  trans52.587158.8-59.7173.878.2164.80117.2E116E116-K118 VanDerWaalsContact C-N 3.26Å; E116-K118 PolarHBondContact O-N 2.96Å
119K41.5Very low53Low214 Ų21497.8 Ų97.893%0.9353%0.533SS*.  trans-116.7110133.3-118177.7-175.3170.60110.9
120S43.4Very low52.6Low129 Ų129102.8 Ų102.890%0.90254%0.541SS*.  trans-60.6141.1177.9177.10000112.1
121G45.6Very low52Low70 Ų70104.9 Ų104.972%0.72255%0.548SS*.SBendtrans115.698.2161.300000115.4
122R43.8Very low51.5Low243 Ų243111 Ų11192%0.91758%0.576SS**SBendtrans82.859.9165-153.6169.8751686.2117.5
123S45.1Very low51.3Low72 Ų72115.9 Ų115.950%0.50360%0.598SS.*  trans-151-23.9158.8-168.40000113.8D125 I126S123-D125 PolarHBondContact O-N 2.8Å; S123-I126 PolarHBondContact O-N 3.01Å; S123-I126 VanDerWaalsContact O-N 3.13Å
124S48.3Very low50.7Low72 Ų72111.5 Ų111.550%0.50358%0.579SS.*Hα-helixtrans-43.2-39.7-175.845.20000115.8I126 T127 S128S124-I126 VanDerWaalsContact C-N 3.28Å; S124-I126 PolarHBondContact O-N 3.35Å; S124-T127 PolarHBondContact O-N 2.83Å; S124-S128 WeakPolarHBondContact O-CB 3.48Å; S124-S128 PolarHBondContact O-N 3.3Å
125D45Very low50.3Low120 Ų120110.7 Ų110.764%0.64258%0.581SS**Hα-helixtrans-74.8-24.3-168-45.3-20.5000111.4S123 V129S123-D125 PolarHBondContact O-N 2.8Å; D125-V129 WeakPolarHBondContact O-CB 3.29Å; D125-V129 WeakPolarHBondContact O-CG2 3.48Å
126I47.8Very low50Low101 Ų101115.1 Ų115.152%0.51860%0.599SS.*Hα-helixtrans-82.9-42.5178.5-65176.8000110.5S123 S124 R130S123-I126 PolarHBondContact O-N 3.01Å; S123-I126 VanDerWaalsContact O-N 3.13Å; S124-I126 VanDerWaalsContact C-N 3.28Å; S124-I126 PolarHBondContact O-N 3.35Å; I126-R130 WeakPolarHBondContact O-CB 3.29Å; I126-R130 VanDerWaalsContact O-CD 3.24Å; I126-R130 WeakPolarHBondContact O-CD 3.23Å; I126-R130 WeakPolarHBondContact O-CG 3.5Å; I126-R130 PolarHBondContact O-N 2.66Å
127T54Low49.2Very low57 Ų57114.1 Ų114.135%0.3560%0.603SS.*Hα-helixtrans-77.1-38.3178.534.90000112.9S124 R130 L131S124-T127 PolarHBondContact O-N 2.83Å; T127-R130 PolarHBondContact O-N 3.5Å; T127-L131 WeakPolarHBondContact O-CG 3.46Å; T127-L131 PolarHBondContact O-N 2.99Å
128S47.5Very low49.2Very low67 Ų67113.6 Ų113.647%0.46960%0.599SS.*Hα-helixtrans-64.8-46.1177.6-165.70000111.7S124 R130 L131 E132S124-S128 WeakPolarHBondContact O-CB 3.48Å; S124-S128 PolarHBondContact O-N 3.3Å; S128-R130 PolarHBondContact O-N 2.83Å; S128-L131 PolarHBondContact O-N 3.07Å; S128-E132 WeakPolarHBondContact O-CB 3.46Å; S128-E132 PolarHBondContact O-N 3.36Å
129V50.5Low49.2Very low75 Ų75109.5 Ų109.546%0.45558%0.583SS.*Hα-helixtrans-65.4-29.1177.3172.80000111.9D125 K133D125-V129 WeakPolarHBondContact O-CB 3.29Å; D125-V129 WeakPolarHBondContact O-CG2 3.48Å; V129-K133 WeakPolarHBondContact O-CB 3.19Å; V129-K133 WeakPolarHBondContact O-CG 3.41Å; V129-K133 PolarHBondContact O-N 2.92Å
130R56.3Low49.4Very low137 Ų137103.8 Ų103.852%0.51756%0.562SS.*Hα-helixtrans-70.1-49172.6-75.6168.7-176.4171.60.2111.5I126 T127 S128 E132 K133 I134I126-R130 WeakPolarHBondContact O-CB 3.29Å; I126-R130 VanDerWaalsContact O-CD 3.24Å; I126-R130 WeakPolarHBondContact O-CD 3.23Å; I126-R130 WeakPolarHBondContact O-CG 3.5Å; I126-R130 PolarHBondContact O-N 2.66Å; T127-R130 PolarHBondContact O-N 3.5Å; S128-R130 PolarHBondContact O-N 2.83Å; R130-E132 PolarHBondContact O-N 3Å; R130-K133 PolarHBondContact O-N 3.35Å; R130-I134 WeakPolarHBondContact O-CD1 3.38Å; R130-I134 VanDerWaalsContact O-CG1 3.26Å; R130-I134 WeakPolarHBondContact O-CG1 3.5Å; R130-I134 PolarHBondContact O-N 3.29Å
131L50.8Low49.4Very low119 Ų119102.4 Ų102.462%0.62354%0.544SS*.Hα-helixtrans-64.7-37.8178.7-72.7170.2000112.7T127 S128 I134 S135T127-L131 WeakPolarHBondContact O-CG 3.46Å; T127-L131 PolarHBondContact O-N 2.99Å; S128-L131 PolarHBondContact O-N 3.07Å; L131-I134 PolarHBondContact O-N 3.43Å; L131-S135 PolarHBondContact O-N 3.47Å
132E52Low49.3Very low135 Ų135101 Ų10163%0.63153%0.529SS*.Hα-helixtrans-66.1-40.4176.7-167.217616300111.8S128 R130 S135 K136S128-E132 WeakPolarHBondContact O-CB 3.46Å; S128-E132 PolarHBondContact O-N 3.36Å; R130-E132 PolarHBondContact O-N 3Å; E132-S135 PolarHBondContact O-N 3.42Å; E132-K136 WeakPolarHBondContact O-CB 3.45Å; E132-K136 PolarHBondContact O-N 3.04Å
133K56Low49.6Very low142 Ų14294.9 Ų94.962%0.61752%0.515SS*.Hα-helixtrans-65-38.2171.7-78.5-179.2174.9-174.80113.1V129 R130 K136 C137V129-K133 WeakPolarHBondContact O-CB 3.19Å; V129-K133 WeakPolarHBondContact O-CG 3.41Å; V129-K133 PolarHBondContact O-N 2.92Å; R130-K133 PolarHBondContact O-N 3.35Å; K133-K136 WeakPolarHBondContact O-CB 3.2Å; K133-K136 PolarHBondContact O-N 3.02Å; K133-C137 PolarHBondContact O-N 3.29Å; K133-C137 PolarHBondContact O-SG 2.97Å
134I52.4Low49.7Very low70 Ų7096.4 Ų96.436%0.35952%0.521SS..Hα-helixtrans-64.3-42.1175.2-69.4162.3000110.5R130 L131 K136 C137 L138R130-I134 WeakPolarHBondContact O-CD1 3.38Å; R130-I134 VanDerWaalsContact O-CG1 3.26Å; R130-I134 WeakPolarHBondContact O-CG1 3.5Å; R130-I134 PolarHBondContact O-N 3.29Å; L131-I134 PolarHBondContact O-N 3.43Å; I134-K136 VanDerWaalsContact C-N 3.34Å; I134-K136 PolarHBondContact O-N 3.46Å; I134-C137 PolarHBondContact O-N 3.41Å; I134-L138 PolarHBondContact O-N 2.79Å
135S51.8Low49.5Very low62 Ų62100 Ų10043%0.43453%0.534SS..Hα-helixtrans-60.4-43.9173-165.50000111.5L131 E132 C137 L138 E139L131-S135 PolarHBondContact O-N 3.47Å; E132-S135 PolarHBondContact O-N 3.42Å; S135-C137 PolarHBondContact O-N 3.2Å; S135-L138 WeakPolarHBondContact O-CB 3.3Å; S135-L138 PolarHBondContact O-N 2.93Å; S135-E139 PolarHBondContact O-N 3.28Å
136K54.3Low49.2Very low113 Ų11399.4 Ų99.449%0.49154%0.535SS..Hα-helixtrans-60.2-46.3178.5-161.974.9-151.51450112.6E132 K133 I134 L138 E139 D140E132-K136 WeakPolarHBondContact O-CB 3.45Å; E132-K136 PolarHBondContact O-N 3.04Å; K133-K136 WeakPolarHBondContact O-CB 3.2Å; K133-K136 PolarHBondContact O-N 3.02Å; I134-K136 VanDerWaalsContact C-N 3.34Å; I134-K136 PolarHBondContact O-N 3.46Å; K136-L138 VanDerWaalsContact C-N 3.26Å; K136-L138 PolarHBondContact O-N 3.25Å; K136-E139 IonicContact NZ-OE2 2.72Å; K136-E139 PolarHBondContact NZ-OE2 3.47Å; K136-E139 WeakPolarHBondContact O-CB 3.33Å; K136-E139 PolarHBondContact O-N 3.16Å; K136-D140 PolarHBondContact O-N 2.95Å
137C44.7Very low48.9Very low86 Ų8699.1 Ų99.158%0.58154%0.542SS*.Hα-helixtrans-64.4-29.5176.8-71.20000113.1K133 I134 S135 L141K133-C137 PolarHBondContact O-N 3.29Å; K133-C137 PolarHBondContact O-SG 2.97Å; I134-C137 PolarHBondContact O-N 3.41Å; S135-C137 PolarHBondContact O-N 3.2Å; C137-L141 WeakPolarHBondContact O-CB 3.38Å; C137-L141 PolarHBondContact O-N 3.48Å
138L49.5Very low48.4Very low117 Ų117102.7 Ų102.761%0.61356%0.563SS**Hα-helixtrans-70.9-35.2178.2-166.267.1000112.1I134 S135 K136 G142I134-L138 PolarHBondContact O-N 2.79Å; S135-L138 WeakPolarHBondContact O-CB 3.3Å; S135-L138 PolarHBondContact O-N 2.93Å; K136-L138 VanDerWaalsContact C-N 3.26Å; K136-L138 PolarHBondContact O-N 3.25Å; L138-G142 PolarHBondContact O-N 3.28Å
139E52Low48.3Very low99 Ų99105.4 Ų105.446%0.46358%0.58SS.*Hα-helixtrans-64.4-44.7173.2-67.2162.8-168.600111.5S135 K136 G142S135-E139 PolarHBondContact O-N 3.28Å; K136-E139 IonicContact NZ-OE2 2.72Å; K136-E139 PolarHBondContact NZ-OE2 3.47Å; K136-E139 WeakPolarHBondContact O-CB 3.33Å; K136-E139 PolarHBondContact O-N 3.16Å; E139-G142 PolarHBondContact O-N 3.36Å
140D45.7Very low47.9Very low94 Ų94109.1 Ų109.150%0.50360%0.597SS.*Hα-helixtrans-70.7-35.5-179.1-69-30.6000112.4K136 G142 N143K136-D140 PolarHBondContact O-N 2.95Å; D140-G142 PolarHBondContact O-N 3.01Å; D140-N143 PolarHBondContact O-N 2.82Å
141L44.1Very low47Very low100 Ų100107.2 Ų107.252%0.52461%0.61SS.*Hα-helixtrans-68.5-32.2177.8-170.365.1000112.8C137 N143 V144C137-L141 WeakPolarHBondContact O-CB 3.38Å; C137-L141 PolarHBondContact O-N 3.48Å; L141-N143 PolarHBondContact O-N 3.38Å; L141-V144 PolarHBondContact O-N 2.82Å
142G43.3Very low46.7Very low39 Ų39110.9 Ų110.940%0.40262%0.621SS.*Hα-helixtrans-61.7-29.3175.700000113.6L138 E139 D140L138-G142 PolarHBondContact O-N 3.28Å; E139-G142 PolarHBondContact O-N 3.36Å; D140-G142 PolarHBondContact O-N 3.01Å
143N51.6Low46.2Very low115 Ų115110.9 Ų110.962%0.61563%0.631SS**Hα-helixtrans-79.3-22.8-179.4-67.3-18.9000113.2D140 L141 T146D140-N143 PolarHBondContact O-N 2.82Å; L141-N143 PolarHBondContact O-N 3.38Å; N143-T146 PolarHBondContact O-OG1 3.46Å
144V47.3Very low45.6Very low105 Ų105110.8 Ų110.864%0.63664%0.642SS**Hα-helixtrans-78.8-38179.5174.90000111.8L141 T146L141-V144 PolarHBondContact O-N 2.82Å; V144-T146 VanDerWaalsContact C-N 3.3Å; V144-T146 PolarHBondContact O-N 3.31Å
145L42.3Very low45.2Very low146 Ų146115.1 Ų115.176%0.76467%0.666SS**THydrogen-bonded Turntrans-76.6-7.7-173.4-75.5166.5000115.2
146T40.3Very low44.5Very low108 Ų108116 Ų11666%0.66368%0.684SS**THydrogen-bonded Turntrans-97.3-7.2-178.955.70000114.4N143 V144 T148N143-T146 PolarHBondContact O-OG1 3.46Å; V144-T146 VanDerWaalsContact C-N 3.3Å; V144-T146 PolarHBondContact O-N 3.31Å; T146-T148 PolarHBondContact O-N 3.21Å
147S41.6Very low44.2Very low95 Ų95119 Ų11966%0.66470%0.697SS**  trans-92.690.5179.7-69.40000112.1P149S147-P149 WeakPolarHBondContact O-CD 3.21Å
148T43.5Very low44.1Very low132 Ų132119.1 Ų119.181%0.8170%0.704SS**  trans-72.5122.4173.444.30000112.1T146 N150T146-T148 PolarHBondContact O-N 3.21Å; T148-N150 PolarHBondContact O-N 2.78Å
149P43.5Very low43.7Very low125 Ų125120.5 Ų120.581%0.81271%0.708SS**  trans-81.6114.9171.830.8-31000110.5S147 A151S147-P149 WeakPolarHBondContact O-CD 3.21Å; P149-A151 PolarHBondContact O-N 2.81Å
150N43.2Very low43.2Very low153 Ų153120.6 Ų120.682%0.81872%0.719SS**  trans-76.2101.1174-175.2-2.6000110.4T148 K152T148-N150 PolarHBondContact O-N 2.78Å; N150-K152 PolarHBondContact O-N 3.34Å
151A36.3Very low43.1Very low96 Ų96121.6 Ų121.679%0.79373%0.733SS**  trans-75.9111.4-179.600000111.8P149P149-A151 PolarHBondContact O-N 2.81Å
152K45.1Very low43Very low196 Ų196123.2 Ų123.285%0.85274%0.743SS**  trans-101.8128.2171.4-118.3179.2-178.1179.10110.9N150N150-K152 PolarHBondContact O-N 3.34Å
153T42.2Very low43.1Very low135 Ų135126.8 Ų126.883%0.82876%0.761SS**  trans-50.6137.7176.4-52.40000113.6
154V42.5Very low42.3Very low140 Ų140124.7 Ų124.785%0.84877%0.767SS**  trans-137.2134.3150.568.40000110.3
155N43.6Very low42Very low162 Ų162123.8 Ų123.887%0.86677%0.771SS**  trans-91.6139.6-177.9-137.414.8000109
156G37.7Very low41.8Very low79 Ų79125.6 Ų125.681%0.81478%0.775SS**  trans-152.5127.5179.800000112.2
157K47.5Very low42Very low177 Ų177125.9 Ų125.977%0.7778%0.781SS**  trans-114.8129.4-170.6170.4-170.4171.8-170.20111.1E159K157-E159 WeakPolarHBondContact CE-OE1 3.49Å; K157-E159 IonicContact NZ-OE1 2.73Å; K157-E159 PolarHBondContact NZ-OE1 3.37Å
158A44.1Very low42Very low88 Ų88130.6 Ų130.673%0.72779%0.793SS**  trans-166.7128.3151.400000106.7
159E40.6Very low41.6Very low147 Ų147132.9 Ų132.969%0.68780%0.795SS**  41.8127.96515.1-161.6135.400113K157K157-E159 WeakPolarHBondContact CE-OE1 3.49Å; K157-E159 IonicContact NZ-OE1 2.73Å; K157-E159 PolarHBondContact NZ-OE1 3.37Å
160S41.8Very low41.4Very low101 Ų101135 Ų13571%0.70679%0.794SS**  cis-164.8173.213.156.30000111.9
161S43.6Very low40.8Very low114 Ų114135.3 Ų135.380%0.79779%0.79SS**  trans71.2158151.9-61.40000119.1
162D40.7Very low40.7Very low135 Ų135135.2 Ų135.272%0.72279%0.789SS**  cis-173.1142.9-21.7172.526.9000108.4
163S45.8Very low40Very low113 Ų113134.3 Ų134.379%0.7979%0.788SS**  trans57.2152.1164.2-66.70000119.5
164G34.3Very low39.5Very low71 Ų71136.4 Ų136.473%0.73279%0.788SS**  cis-166.3-163.93.200000112.6
165A42.8Very low39Very low87 Ų87137.8 Ų137.872%0.71979%0.786SS**  trans-57.9171.3-179.700000112.7
166E36.8Very low38.3Very low183 Ų183136 Ų13686%0.85578%0.78SS**  cis-154.3157.53537.2-122.441.200115.1
167S43.8Very low37.9Very low114 Ų114141.8 Ų141.880%0.79778%0.783SS**  trans-103.7145.8170.3-57.10000108.9
168E42.3Very low36.9Very low194 Ų194136.8 Ų136.891%0.90778%0.782SS**  trans-123.6139160.2-68-169.6142.300109.7
169E34.7Very low36.1Very low181 Ų181137.1 Ų137.185%0.84678%0.784SS**  trans-85.6174.6179.5-61.1168.9-170.200107.6
170E39.5Very low35.5Very low169 Ų169138.6 Ų138.679%0.7979%0.791SS**  cis-166.6-164.943.5-149.3-156.2-161.400111.8
171E31.7Very low34.8Very low159 Ų159141.8 Ų141.874%0.74380%0.795SS**  trans-69.2179.9-175.2-61.6-165.911700113.2
172A32.9Very low34.2Very low94 Ų94141.9 Ų141.978%0.77780%0.795SS**  cis-163.5-1763300000116.4
173Q31.1Very low34Very low177 Ų177142 Ų14283%0.82780%0.797SS**  trans-64.7172.5179-59.7168.8-28.700111.4
174E31.7Very low33.5Very low179 Ų179144 Ų14484%0.83680%0.798SS**  cis-166.3-17848.3-151.8-177.614400112.2
175E31.5Very low33.6Very low169 Ų169147.1 Ų147.179%0.7980%0.798SS**  trans-79.3171.3-168.6-48.1-17910900116.1
176V29.8Very low33.4Very low124 Ų124152 Ų15275%0.75280%0.803SS**  167.3142.8117.3156.10000113.6
177K30Very low33.3Very low202 Ų202151.6 Ų151.688%0.87880%0.799SS**  trans-3.9152.8156.5-53.3164.5-177.6169.60118.6
178G24.5Very low32.6Very low72 Ų72153.3 Ų153.374%0.74280%0.796SS**  cis145.417310.400000111.1
179A29.1Very low32.1Very low94 Ų94151.8 Ų151.878%0.77779%0.79SS**  trans72.2110.2168.600000121.4
180E26.7Very low31.9Very low179 Ų179151.8 Ų151.884%0.83679%0.788SS**  56.2123.2121.5-62.5-173.6127.600124.6
181Q27.9Very low31.6Very low168 Ų168153.1 Ų153.179%0.78579%0.791SS**  78.5121.8126.6-163.8174.721.200121.8
182S31.1Very low31.5Very low115 Ų115151.1 Ų151.180%0.80479%0.794SS**  trans-168.4133.7130.4520000113.6
183D36.3Very low31.9Very low139 Ų139150.2 Ų150.274%0.74379%0.787SS**  trans-65.5157.4162.4-84.8-77.4000112.3
184N34.8Very low32.2Very low153 Ų153148.1 Ų148.182%0.81878%0.781SS**  trans-165.3105.7139.8-99.5-55.1000113.1
185D37.5Very low32.9Very low138 Ų138148.7 Ų148.774%0.73878%0.783SS**  trans-61.7139.1157.8-102.8-51.8000111.7
186K38.4Very low33.3Very low189 Ų189148.7 Ų148.782%0.82278%0.781SS**  166.2131.4126.4-89.2147.1-155153.50115.7
187K33.4Very low33.9Very low175 Ų175151 Ų15176%0.76179%0.789SS**  89.2103.9127.4-170.2169-177.2-176.50121.5
188M29.6Very low34Very low149 Ų149148.6 Ų148.673%0.73479%0.785SS**  trans74.4118130.5-76.5179.1175.200123.3
189M32.6Very low34.4Very low162 Ų162153 Ų15380%0.79879%0.787SS**  77.6120.7127.2-109.3150.857.100122.4
190K30.8Very low34.6Very low181 Ų181153.5 Ų153.579%0.78778%0.78SS**  106.1116.3122.2-163.8171.1-180178.80118.4
191K31.3Very low34.8Very low198 Ų198151 Ų15186%0.86177%0.771SS**  trans25.6121.4150.3-64-173174.2-169.70118.8
192S30.8Very low34.9Very low116 Ų116148 Ų14881%0.81176%0.764SS**  -155.9157105.6-166.80000110.3
193A42Very low34.7Very low75 Ų75147.8 Ų147.862%0.6276%0.757SS**  trans-74.4144.2160.100000109.2
194D36.7Very low34.8Very low134 Ų134148.8 Ų148.872%0.71776%0.763SS**  trans-163.5121.1144.4-109.4-25.3000109K196D194-K196 PolarHBondContact O-N 3.15Å
195H46Very low34.3Very low190 Ų190144.4 Ų144.488%0.8875%0.754SS**  trans-80109.5175.5-63.5-95.1000108.5
196K39.9Very low34.2Very low170 Ų170146.8 Ų146.874%0.73975%0.754SS**  trans-125.3124.2169.6-65.7-175-176.6175.10108.6D194 L198D194-K196 PolarHBondContact O-N 3.15Å; K196-L198 PolarHBondContact O-N 3.23Å
197N41.6Very low33.7Very low172 Ų172145.7 Ų145.792%0.9276%0.757SS**  trans-53.3107.6175.3-73.7-48.2000108.9E199N197-E199 PolarHBondContact O-N 3.48Å
198L32.8Very low34Very low152 Ų152143.7 Ų143.780%0.79675%0.748SS**  trans-83.599.8159.5-162.572.1000105.6K196 V200K196-L198 PolarHBondContact O-N 3.23Å; L198-V200 HydrophobicContact CD2-CG2 4.33Å; L198-V200 HydrophobicContact CG-CG2 4.49Å; L198-V200 PolarHBondContact O-N 2.99Å
199E34Very low34.3Very low165 Ų165142 Ų14277%0.77174%0.742SS**  trans-62.687.1167.3-174.1170.7-167.300107.4N197 I201N197-E199 PolarHBondContact O-N 3.48Å; E199-I201 HydrophobicContact CG-CG1 4.36Å; E199-I201 PolarHBondContact O-N 3.42Å
200V32.8Very low34.5Very low104 Ų104136.4 Ų136.463%0.6373%0.726SS**  trans-69.191.6168.3178.70000105.5L198 V202L198-V200 HydrophobicContact CD2-CG2 4.33Å; L198-V200 HydrophobicContact CG-CG2 4.49Å; L198-V200 PolarHBondContact O-N 2.99Å; V200-V202 HydrophobicContact CG1-CG2 4Å; V200-V202 PolarHBondContact O-N 3.49Å
201I31.3Very low35.1Very low127 Ų127133.2 Ų133.265%0.65171%0.712SS**  trans-57.494.9159.8-58.3174.3000105E199 T203E199-I201 HydrophobicContact CG-CG1 4.36Å; E199-I201 PolarHBondContact O-N 3.42Å; I201-T203 HydrophobicContact CG2-CG2 3.92Å; I201-T203 PolarHBondContact O-N 3.46Å
202V30.4Very low35.6Very low105 Ų105124.7 Ų124.764%0.63668%0.677SS**  trans-68.985.7166.3-179.90000105V200 N204V200-V202 HydrophobicContact CG1-CG2 4Å; V200-V202 PolarHBondContact O-N 3.49Å; V202-N204 PolarHBondContact O-N 2.96Å
203T26.2Very low36Very low109 Ų109122.4 Ų122.467%0.66965%0.654SS**  trans-55.7134.6170.641.80000107.6I201 G205I201-T203 HydrophobicContact CG2-CG2 3.92Å; I201-T203 PolarHBondContact O-N 3.46Å; T203-G205 PolarHBondContact O-N 2.78Å
204N37Very low36Very low161 Ų161122.6 Ų122.686%0.86164%0.644SS**  trans-71.279.7-174.4-145.29000109V202V202-N204 PolarHBondContact O-N 2.96Å
205G26.1Very low36.2Very low61 Ų61117.3 Ų117.363%0.62962%0.616SS**  trans-120.269.6-167.100000111.8T203 D207T203-G205 PolarHBondContact O-N 2.78Å; G205-D207 PolarHBondContact O-N 2.74Å
206Y34.4Very low35.8Very low187 Ų187113.4 Ų113.473%0.73360%0.598SS**  trans26.286.1151.9-107.2-116.9000117.5K208Y206-K208 HydrophobicContact CD1-CG 4.47Å; Y206-K208 HydrophobicContact CE1-CD 4.41Å; Y206-K208 HydrophobicContact CE1-CG 4.5Å; Y206-K208 PolarHBondContact OH-NZ 3.13Å
207D27.7Very low35.6Very low166 Ų166110.5 Ų110.589%0.88859%0.59SS**  trans-120.8122.7141.5-94.6-48.4000107.8G205G205-D207 PolarHBondContact O-N 2.74Å
208K39.4Very low35.4Very low133 Ų133107.5 Ų107.558%0.57857%0.574SS**  trans-82.5160.3177.5-59.8-147.2179.5-171.40110Y206 G210Y206-K208 HydrophobicContact CD1-CG 4.47Å; Y206-K208 HydrophobicContact CE1-CD 4.41Å; Y206-K208 HydrophobicContact CE1-CG 4.5Å; Y206-K208 PolarHBondContact OH-NZ 3.13Å; K208-G210 PolarHBondContact O-N 3.49Å
209D37.5Very low35.7Very low114 Ų114105.4 Ų105.461%0.6156%0.563SS**SBendtrans70.522.5160-45-33.7000118.3Q213D209-Q213 WeakPolarHBondContact O-CB 3.07Å; D209-Q213 PolarHBondContact O-OE1 2.69Å
210G35.8Very low35.4Very low45 Ų45106.1 Ų106.146%0.46457%0.566SS.*SBendtrans-95.2-67.4173.200000115.5K208 V212 Q213K208-G210 PolarHBondContact O-N 3.49Å; G210-V212 PolarHBondContact O-N 3.14Å; G210-Q213 PolarHBondContact O-N 3.49Å
211F44Very low35.4Very low113 Ų113105.7 Ų105.750%0.49657%0.573SS.*THydrogen-bonded Turntrans-68.1-25.7-157.7-167.3-96.3000116.3M35M35-F211 HydrophobicContact CB-CE2 4.21Å; M35-F211 HydrophobicContact CB-CZ 4Å; M35-F211 HydrophobicContact CE-CE1 3.66Å; M35-F211 HydrophobicContact CE-CZ 3.53Å; M35-F211 HydrophobicContact CG-CZ 4.21Å; M35-F211 HydrophobicContact SD-CD1 4.34Å; M35-F211 HydrophobicContact SD-CE1 3.4Å; M35-F211 WeakPolarHBondContact SD-CE1 3.49Å; M35-F211 HydrophobicContact SD-CE2 4.06Å; M35-F211 HydrophobicContact SD-CZ 3.25Å; M35-F211 WeakPolarHBondContact SD-CZ 3.3Å
212V40.3Very low35.7Very low20 Ų20104.2 Ų104.212%0.12157%0.574CS.*THydrogen-bonded Turntrans-104.7-22.7-179.6-176.20000111.9G210 D214 I215 Q216G210-V212 PolarHBondContact O-N 3.14Å; V212-D214 PolarHBondContact O-N 3.12Å; V212-I215 PolarHBondContact O-N 3.36Å; V212-I215 VanDerWaalsContact O-N 3.15Å; V212-Q216 HydrophobicContact CG1-CG 4.07Å; V212-Q216 WeakPolarHBondContact O-CG 3.25Å; V212-Q216 PolarHBondContact O-N 2.69Å; V212-Q216 VanDerWaalsContact O-N 3.12Å
213Q39.5Very low35.7Very low68 Ų68104.7 Ų104.732%0.31858%0.582SS.*Hα-helixtrans-57.9-45.8176.6-123.985.22.400111.8D209 G210 I215 Q216 N217D209-Q213 WeakPolarHBondContact O-CB 3.07Å; D209-Q213 PolarHBondContact O-OE1 2.69Å; G210-Q213 PolarHBondContact O-N 3.49Å; Q213-I215 PolarHBondContact O-N 3Å; Q213-I215 VanDerWaalsContact O-N 3.13Å; Q213-Q216 PolarHBondContact O-N 3.16Å; Q213-N217 WeakPolarHBondContact O-CB 2.96Å; Q213-N217 PolarHBondContact O-N 2.7Å; Q213-N217 PolarHBondContact O-ND2 3.34Å
214D41.8Very low35.9Very low78 Ų78105.2 Ų105.242%0.41759%0.59SS.*Hα-helixtrans-62.3-19.5179.9-94.52.1000113.9K65 V212K65-D214 IonicContact NZ-OD2 2.69Å; K65-D214 PolarHBondContact NZ-OD2 2.86Å; V212-D214 PolarHBondContact O-N 3.12Å
215I41.1Very low35.6Very low24 Ų24106 Ų10612%0.12359%0.593CS.*Hα-helixtrans-99.8-12.8174.7-28.8-177.1000111.7V16 Q20 Y42 V212 Q213V16-I215 HydrophobicContact CG1-CG2 4.12Å; Q20-I215 HydrophobicContact CG-CG2 4.38Å; Q20-I215 PolarHBondContact NE2-O 2.8Å; Y42-I215 HydrophobicContact CD2-CG2 4.29Å; Y42-I215 HydrophobicContact CE1-CG2 4.04Å; Y42-I215 HydrophobicContact CE2-CG2 3.66Å; V212-I215 PolarHBondContact O-N 3.36Å; V212-I215 VanDerWaalsContact O-N 3.15Å; Q213-I215 PolarHBondContact O-N 3Å; Q213-I215 VanDerWaalsContact O-N 3.13Å
216Q37.7Very low36Very low107 Ų107111.1 Ų111.150%0.561%0.606SS.*Hα-helixtrans-93.1-30.7177.8-75.4176.3-43.900112.8V212 Q213V212-Q216 HydrophobicContact CG1-CG 4.07Å; V212-Q216 WeakPolarHBondContact O-CG 3.25Å; V212-Q216 PolarHBondContact O-N 2.69Å; V212-Q216 VanDerWaalsContact O-N 3.12Å; Q213-Q216 PolarHBondContact O-N 3.16Å
217N36.4Very low35.8Very low110 Ų110105.2 Ų105.259%0.58860%0.602SS**THydrogen-bonded Turntrans-75.9-26.9-169.5-70.6-21.7000114.7Q213Q213-N217 WeakPolarHBondContact O-CB 2.96Å; Q213-N217 PolarHBondContact O-N 2.7Å; Q213-N217 PolarHBondContact O-ND2 3.34Å
218D36.7Very low36.2Very low108 Ų108109 Ų10958%0.57860%0.604SS**THydrogen-bonded Turntrans-87.9-12.7-175.5-104.7-53.4000114.9
219I38.7Very low35.7Very low108 Ų108106.9 Ų106.955%0.55461%0.606SS**SBendtrans-88.7-17.2-173.2-61.7179.9000112.7A221I219-A221 PolarHBondContact O-N 2.97Å
220H29.2Very low35.5Very low180 Ų180106.6 Ų106.683%0.83361%0.609SS**SBendtrans-86.21.6-173.8-118-72.5000115.7S222H220-S222 PolarHBondContact O-N 3.34Å
221A33Very low35.4Very low95 Ų95112.6 Ų112.679%0.78563%0.625SS**  trans-94.966-179.500000112.9I219I219-A221 PolarHBondContact O-N 2.97Å
222S35.9Very low34.7Very low97 Ų97116.5 Ų116.568%0.67864%0.644SS**  trans-133.7132167.364.70000114.3H220H220-S222 PolarHBondContact O-N 3.34Å
223S31.9Very low34.5Very low114 Ų114121.7 Ų121.780%0.79768%0.676SS**  trans64.386.7150.3-58.50000120.5
224S28.7Very low34.4Very low121 Ų121128.2 Ų128.285%0.84670%0.703SS**  trans-168.9133.9132.6-80.50000107.5
225L30.9Very low34.5Very low177 Ų177130 Ų13093%0.92772%0.719SS**  cis-137156.542-74.8158.9000112.8
226N35.2Very low34.3Very low168 Ų168136.1 Ų136.190%0.89875%0.75SS**  trans-123.8137.7178-153.24.3000110.2
227G31Very low34.2Very low63 Ų63137.9 Ų137.965%0.64976%0.763SS**  trans120.1118.314200000120.6
228R35.2Very low34Very low246 Ų246140.7 Ų140.793%0.92877%0.773SS**  trans69.7146.7148.5-94.2177.5149.1167.1-6.5117.3
229S29.8Very low33.7Very low89 Ų89142.4 Ų142.462%0.62278%0.782SS**  cis-167.6167.53.4-143.40000108
230T32.2Very low33.5Very low107 Ų107145.2 Ų145.266%0.65680%0.797SS**  cis-158-179.10.8-17.10000110.2
231E33.7Very low33.6Very low171 Ų171139.7 Ų139.780%0.79979%0.789SS**  trans14.6125.4153.5-70.5161.6121.300122.2
232E30.1Very low33.8Very low195 Ų195144 Ų14491%0.91179%0.793SS**  -153.2151.3103.3-129.8-171.5127.600111.7
233V36.4Very low33.9Very low129 Ų129146.1 Ų146.178%0.78280%0.802SS**  trans-136.9125.3-175.1170.50000109.8
234K36Very low34.3Very low206 Ų206143.9 Ų143.990%0.89680%0.797SS**  trans-164.7162.9149.1-101.4-142.5170.6174.80112.6
235P44.1Very low35.2Very low115 Ų115148 Ų14875%0.74780%0.8SS**  trans-123.8-177.3-144.740.3-24.7000115.8
236I38Very low35.9Very low152 Ų152145.7 Ų145.778%0.77980%0.798SS**  trans-68.7133.5171.7-68.7155.6000111.3
237D34.5Very low36.6Very low144 Ų144142 Ų14277%0.7779%0.791SS**  164.5173101.9-137.5-49.8000113.7
238E33.3Very low37.3Very low169 Ų169145.1 Ų145.179%0.7980%0.797SS**  trans8096.5158.9-66.1-167.7121.100122.5
239N30.8Very low37.7Very low145 Ų145138.8 Ų138.878%0.77579%0.789SS**  50.2126.2112.6-141.7-53.8000121.1
240L32.6Very low38.6Very low166 Ų166141.9 Ų141.987%0.86980%0.797SS**  164.8144116.8-167.469.2000113.1
241G32.1Very low39.7Very low64 Ų64149.1 Ų149.166%0.6682%0.823SS**  trans91.196161.900000115.3
242Q37.5Very low40Very low185 Ų185148 Ų14886%0.86482%0.824SS**  80.1135.457.4-158.3170.744.200114.4
243T38.7Very low40.5Very low143 Ų143145.5 Ų145.588%0.87782%0.819SS**  trans76134.9-176.478.90000115.8
244G40.4Very low40.7Very low66 Ų66146.4 Ų146.468%0.6882%0.821SS**  cis-177.6148.3-11.900000114.6
245K47.3Very low41Very low209 Ų209142.9 Ų142.991%0.90982%0.817SS**  trans44.7144.6147.6-55.2178.7-176.5176.80121.9
246S44.4Very low40.8Very low127 Ų127144.7 Ų144.789%0.88882%0.821SS**  trans76.6139169-91.80000117.1
247A49.6Very low41Very low91 Ų91144.2 Ų144.275%0.75282%0.824SS**  cis-153.7167.7-7.900000111.5
248V46.8Very low41.5Very low129 Ų129144.2 Ų144.278%0.78283%0.828SS**  trans-91.2170.4175168.80000110.9
249C44.2Very low42.1Very low112 Ų112142.3 Ų142.376%0.75783%0.831SS**  trans103.8115.4174.8-58.30000111.8
250I48.3Very low43Very low155 Ų155142.1 Ų142.180%0.79584%0.836SS**  cis55.687.739.6-46.2-177.9000112.4
251H54.6Low44Very low258 Ų258139.9 Ų139.9100%1.19483%0.833SS**  -146.20113.1-156.452.6000109.4

Retrieved 251 of 251 residues in 39 ms (Link to these results)

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