A0A096M8W6_POEFO Loading...

Retinoblastoma-associated protein B-box domain-containing protein

AlphaFold DB , UniProt , Accession A0A096M8W6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 264 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
1M74.6Confident81.5Confident60 Ų6059.3 Ų59.330%0.29626%0.264SS..  0-53.50-65.3-48.6-75.300112.6E3 R4 L5 W23 L26 L42 L46M1-E3 PolarHBondContact O-N 3.02Å; M1-R4 PolarHBondContact O-N 3.07Å; M1-L5 PolarHBondContact O-N 2.68Å; M1-W23 HydrophobicContact CB-CZ3 4.48Å; M1-L26 HydrophobicContact CE-CD2 4.42Å; M1-L42 HydrophobicContact CE-CB 3.95Å; M1-L42 WeakPolarHBondContact CE-O 3.46Å; M1-L42 HydrophobicContact SD-CB 3.86Å; M1-L42 HydrophobicContact SD-CD1 4.31Å; M1-L46 HydrophobicContact CE-CB 3.86Å; M1-L46 HydrophobicContact CE-CD1 4.33Å; M1-L46 HydrophobicContact CE-CD2 4.31Å; M1-L46 HydrophobicContact CE-CG 4.4Å
2A78.3Confident81.6Confident13 Ų1356.2 Ų56.211%0.10725%0.252CS..Hα-helixtrans-58.2-41.5178.900000114.2L5 R6 W23 L151 P152A2-L5 PolarHBondContact O-N 2.72Å; A2-R6 WeakPolarHBondContact O-CB 3.43Å; A2-R6 PolarHBondContact O-N 2.78Å; A2-W23 HydrophobicContact CB-CE3 4.21Å; A2-W23 HydrophobicContact CB-CH2 3.73Å; A2-W23 HydrophobicContact CB-CZ2 4.39Å; A2-W23 HydrophobicContact CB-CZ3 3.63Å; A2-L151 HydrophobicContact CB-CD1 4.06Å; A2-P152 HydrophobicContact CB-CG 3.46Å; A2-P152 VanDerWaalsContact CB-CG 3.46Å
3E79.3Confident81.7Confident127 Ų12765.2 Ų65.259%0.59330%0.295SS*.Hα-helixtrans-64.4-42.9176.3-169.4173.5-166.500112.1M1 L5 R6 E7M1-E3 PolarHBondContact O-N 3.02Å; E3-L5 PolarHBondContact O-N 2.72Å; E3-R6 WeakPolarHBondContact O-CB 3.14Å; E3-R6 PolarHBondContact O-N 2.74Å; E3-E7 PolarHBondContact O-N 2.94Å
4R81.8Confident81.9Confident86 Ų8661.9 Ų61.933%0.32528%0.282SS..Hα-helixtrans-60.8-44.6174.3-68.1-174.2-177.5176.8-1.5112.2M1 R6 E7 M8 D43 L46M1-R4 PolarHBondContact O-N 3.07Å; R4-R6 VanDerWaalsContact C-N 3.32Å; R4-R6 PolarHBondContact O-N 3.32Å; R4-E7 PolarHBondContact O-N 3.31Å; R4-M8 WeakPolarHBondContact O-CB 3.42Å; R4-M8 VanDerWaalsContact O-CG 3.32Å; R4-M8 WeakPolarHBondContact O-CG 3.46Å; R4-M8 PolarHBondContact O-N 3.24Å; R4-D43 IonicContact CZ-OD1 2.87Å; R4-D43 IonicContact NH1-OD1 3.87Å; R4-D43 PolarHBondContact NH1-OD1 2.79Å; R4-D43 IonicContact NH1-OD2 3.04Å; R4-D43 PolarHBondContact NH1-OD2 3.43Å; R4-D43 VanDerWaalsContact NH1-OD2 3.16Å; R4-L46 HydrophobicContact CB-CD2 4.05Å
5L85.3Confident82.1Confident1 Ų162.3 Ų62.31%0.00530%0.295CS..Hα-helixtrans-60.7-43.8174.8-17966.9000110.7M1 A2 E3 E7 M8 C9 M22 W23 L46 I50M1-L5 PolarHBondContact O-N 2.68Å; A2-L5 PolarHBondContact O-N 2.72Å; E3-L5 PolarHBondContact O-N 2.72Å; L5-E7 PolarHBondContact O-N 3.47Å; L5-M8 PolarHBondContact O-N 3.27Å; L5-C9 WeakPolarHBondContact O-CB 3.22Å; L5-C9 PolarHBondContact O-N 3.2Å; L5-C9 PolarHBondContact O-SG 3.2Å; L5-M22 HydrophobicContact CD1-CB 4.27Å; L5-M22 HydrophobicContact CD2-CB 4.5Å; L5-W23 HydrophobicContact CD2-CB 3.65Å; L5-W23 HydrophobicContact CD2-CD2 4.42Å; L5-W23 HydrophobicContact CD2-CE3 3.77Å; L5-W23 HydrophobicContact CD2-CG 4.43Å; L5-L46 HydrophobicContact CB-CD1 3.82Å; L5-L46 HydrophobicContact CD1-CD1 3.79Å; L5-L46 HydrophobicContact CG-CD1 4.37Å; L5-I50 HydrophobicContact CD1-CD1 3.83Å; L5-I50 HydrophobicContact CD1-CG1 3.68Å
6R84Confident82.1Confident75 Ų7564.9 Ų64.928%0.28331%0.311SS..Hα-helixtrans-62.3-44.3179.3-167.1-179.7-62.1177.13.7111.7A2 E3 R4 F10 L151 P152A2-R6 WeakPolarHBondContact O-CB 3.43Å; A2-R6 PolarHBondContact O-N 2.78Å; E3-R6 WeakPolarHBondContact O-CB 3.14Å; E3-R6 PolarHBondContact O-N 2.74Å; R4-R6 VanDerWaalsContact C-N 3.32Å; R4-R6 PolarHBondContact O-N 3.32Å; R6-F10 VanDerWaalsContact O-CB 3.28Å; R6-F10 WeakPolarHBondContact O-CB 3.46Å; R6-F10 PolarHBondContact O-N 3.09Å; R6-L151 VanDerWaalsContact NH2-CD2 3.31Å; R6-P152 PolarHBondContact NH2-O 3.26Å
7E82.8Confident82.2Confident77 Ų7768.2 Ų68.236%0.3633%0.326SS..Hα-helixtrans-63.9-43.5176.6-171.8177.9162.900111.7E3 R4 L5 F10 K11E3-E7 PolarHBondContact O-N 2.94Å; R4-E7 PolarHBondContact O-N 3.31Å; L5-E7 PolarHBondContact O-N 3.47Å; E7-F10 PolarHBondContact O-N 2.85Å; E7-K11 HydrophobicContact CG-CD 4.43Å; E7-K11 WeakPolarHBondContact O-CG 3.28Å; E7-K11 PolarHBondContact O-N 3.2Å; E7-K11 VanDerWaalsContact OE1-CE 3.28Å; E7-K11 WeakPolarHBondContact OE1-CE 3.37Å; E7-K11 IonicContact OE1-NZ 3.16Å; E7-K11 PolarHBondContact OE1-NZ 3.1Å
8M82.5Confident82.4Confident3 Ų364.7 Ų64.72%0.01531%0.31CS..Hα-helixtrans-63.4-47.3176.3-77.1-61.3-61.400112.6R4 L5 F10 K11 L12 I50 I66 R69 Y70R4-M8 WeakPolarHBondContact O-CB 3.42Å; R4-M8 VanDerWaalsContact O-CG 3.32Å; R4-M8 WeakPolarHBondContact O-CG 3.46Å; R4-M8 PolarHBondContact O-N 3.24Å; L5-M8 PolarHBondContact O-N 3.27Å; M8-F10 VanDerWaalsContact C-N 3.32Å; M8-F10 PolarHBondContact O-N 3.35Å; M8-K11 PolarHBondContact O-N 3.42Å; M8-L12 HydrophobicContact CE-CD1 4.19Å; M8-L12 WeakPolarHBondContact O-CB 3.3Å; M8-L12 WeakPolarHBondContact O-CG 3.49Å; M8-L12 PolarHBondContact O-N 2.7Å; M8-I50 HydrophobicContact CB-CD1 4.21Å; M8-I66 HydrophobicContact CE-CG2 4.29Å; M8-I66 VanDerWaalsContact CE-O 3.28Å; M8-I66 WeakPolarHBondContact CE-O 3.44Å; M8-R69 HydrophobicContact CE-CB 4.23Å; M8-Y70 HydrophobicContact CE-CD2 4.46Å; M8-Y70 HydrophobicContact SD-CD2 4.05Å; M8-Y70 HydrophobicContact SD-CG 4.48Å
9C83.8Confident82.7Confident2 Ų264.4 Ų64.41%0.01431%0.305CS..Hα-helixtrans-64.6-36.3177.2-68.60000112.1L5 L12 Q13 V14 R19L5-C9 WeakPolarHBondContact O-CB 3.22Å; L5-C9 PolarHBondContact O-N 3.2Å; L5-C9 PolarHBondContact O-SG 3.2Å; C9-L12 PolarHBondContact O-N 3.02Å; C9-Q13 PolarHBondContact O-N 3.33Å; C9-Q13 VanDerWaalsContact O-N 3.11Å; C9-V14 HydrophobicContact CB-CB 4.16Å; C9-V14 PolarHBondContact O-N 3.03Å; C9-R19 HydrophobicContact CB-CB 4.27Å; C9-R19 HydrophobicContact CB-CG 3.93Å
10F82.9Confident82.9Confident171 Ų17162.8 Ų62.875%0.7530%0.301SS*.Hα-helixtrans-63.4-45.9173.3-179.5-97.7000111.2R6 E7 M8 L12 Q13R6-F10 VanDerWaalsContact O-CB 3.28Å; R6-F10 WeakPolarHBondContact O-CB 3.46Å; R6-F10 PolarHBondContact O-N 3.09Å; E7-F10 PolarHBondContact O-N 2.85Å; M8-F10 VanDerWaalsContact C-N 3.32Å; M8-F10 PolarHBondContact O-N 3.35Å; F10-L12 VanDerWaalsContact C-N 3.31Å; F10-L12 PolarHBondContact O-N 2.74Å; F10-Q13 PolarHBondContact O-N 3.26Å
11K81.9Confident83.2Confident37 Ų3761 Ų6116%0.16129%0.292CS..Hα-helixtrans-63.3-36.7175.5-73.3174-173.51680112.1E7 M8 Q13 R69E7-K11 HydrophobicContact CG-CD 4.43Å; E7-K11 WeakPolarHBondContact O-CG 3.28Å; E7-K11 PolarHBondContact O-N 3.2Å; E7-K11 VanDerWaalsContact OE1-CE 3.28Å; E7-K11 WeakPolarHBondContact OE1-CE 3.37Å; E7-K11 IonicContact OE1-NZ 3.16Å; E7-K11 PolarHBondContact OE1-NZ 3.1Å; M8-K11 PolarHBondContact O-N 3.42Å; K11-Q13 VanDerWaalsContact C-N 3.26Å; K11-Q13 PolarHBondContact O-N 3.15Å; K11-R69 HydrophobicContact CB-CB 4.25Å; K11-R69 PolarHBondContact O-NE 3.33Å; K11-R69 PolarHBondContact O-NH2 3.2Å
12L82.6Confident83.9Confident22 Ų2258.1 Ų58.112%0.11528%0.278CS..THydrogen-bonded Turntrans-82.60.8179.7-69.7164.8000113.4M8 C9 F10 V14 I50 L61 I66 R69M8-L12 HydrophobicContact CE-CD1 4.19Å; M8-L12 WeakPolarHBondContact O-CB 3.3Å; M8-L12 WeakPolarHBondContact O-CG 3.49Å; M8-L12 PolarHBondContact O-N 2.7Å; C9-L12 PolarHBondContact O-N 3.02Å; F10-L12 VanDerWaalsContact C-N 3.31Å; F10-L12 PolarHBondContact O-N 2.74Å; L12-V14 HydrophobicContact CB-CG2 3.68Å; L12-V14 PolarHBondContact O-N 3.09Å; L12-I50 HydrophobicContact CD1-CG2 4.17Å; L12-L61 HydrophobicContact CD2-CD2 4.47Å; L12-I66 HydrophobicContact CD1-CB 4.5Å; L12-I66 HydrophobicContact CD1-CG1 4.07Å; L12-I66 HydrophobicContact CD1-CG2 4.41Å; L12-I66 HydrophobicContact CD2-CG1 4.35Å; L12-R69 HydrophobicContact CD2-CB 4.17Å; L12-R69 HydrophobicContact CD2-CG 3.67Å; L12-R69 HydrophobicContact CG-CB 4.4Å; L12-R69 HydrophobicContact CG-CG 4.26Å
13Q82.4Confident84.5Confident174 Ų17458.6 Ų58.681%0.81328%0.277SS*.THydrogen-bonded Turntrans52.639.4-176.3-60.3-175.16.500113.3C9 F10 K11C9-Q13 PolarHBondContact O-N 3.33Å; C9-Q13 VanDerWaalsContact O-N 3.11Å; F10-Q13 PolarHBondContact O-N 3.26Å; K11-Q13 VanDerWaalsContact C-N 3.26Å; K11-Q13 PolarHBondContact O-N 3.15Å
14V84.4Confident85Confident19 Ų1952.8 Ų52.812%0.11525%0.25CC..  trans-80.4139.7-178.5172.20000110.8C9 L12 L18 M22 L61C9-V14 HydrophobicContact CB-CB 4.16Å; C9-V14 PolarHBondContact O-N 3.03Å; L12-V14 HydrophobicContact CB-CG2 3.68Å; L12-V14 PolarHBondContact O-N 3.09Å; V14-L18 HydrophobicContact CG1-CB 3.56Å; V14-L18 HydrophobicContact CG1-CD2 3.43Å; V14-L18 VanDerWaalsContact CG1-CD2 3.43Å; V14-L18 HydrophobicContact CG1-CG 3.66Å; V14-L18 HydrophobicContact CG2-CD2 4.43Å; V14-M22 HydrophobicContact CG1-CE 4.26Å; V14-M22 HydrophobicContact CG1-SD 4.21Å; V14-M22 HydrophobicContact CG2-CE 4.47Å; V14-L61 HydrophobicContact CG2-CD1 3.86Å
15S85Confident85.3Confident68 Ų6848.7 Ų48.748%0.47623%0.234SC..  trans-61.2150.8175.670.40000112.3E17 L18 R19S15-E17 PolarHBondContact O-N 3.5Å; S15-L18 PolarHBondContact O-N 2.75Å; S15-L18 VanDerWaalsContact O-N 3.15Å; S15-L18 WeakPolarHBondContact OG-CB 3.47Å; S15-L18 PolarHBondContact OG-N 3.43Å; S15-R19 PolarHBondContact O-N 3.2Å
16D82.5Confident85.6Confident103 Ų10348.6 Ų48.655%0.55123%0.234SC*.Hα-helixtrans-60.9-32.8179.9-74.9-24.6000112.5R19 S20D16-R19 VanDerWaalsContact CG-NH2 3.29Å; D16-R19 IonicContact OD1-CZ 2.9Å; D16-R19 IonicContact OD1-NE 3.88Å; D16-R19 IonicContact OD1-NH1 2.74Å; D16-R19 PolarHBondContact OD1-NH1 2.92Å; D16-R19 IonicContact OD1-NH2 2.7Å; D16-R19 PolarHBondContact OD1-NH2 3.28Å; D16-R19 IonicContact OD2-NH2 3.89Å; D16-S20 PolarHBondContact O-N 3.04Å
17E83.4Confident85.9Confident121 Ų12148.6 Ų48.657%0.56524%0.237SC*.Hα-helixtrans-63.4-48.3174.6-168.8-165.4147.500111.4S15 R19 S20 K21S15-E17 PolarHBondContact O-N 3.5Å; E17-R19 VanDerWaalsContact C-N 3.35Å; E17-S20 WeakPolarHBondContact O-CB 3.33Å; E17-S20 PolarHBondContact O-N 3.42Å; E17-K21 WeakPolarHBondContact O-CG 3.38Å; E17-K21 PolarHBondContact O-N 3.36Å; E17-K21 VanDerWaalsContact O-N 3.1Å; E17-K21 WeakPolarHBondContact OE1-CE 3.36Å; E17-K21 IonicContact OE1-NZ 2.72Å; E17-K21 PolarHBondContact OE1-NZ 3.48Å
18L85.3Confident86.2Confident6 Ų645.5 Ų45.53%0.03122%0.224CC..Hα-helixtrans-67.3-38.6179.4-174.768.1000111.2V14 S15 S20 K21 M22 I53 T57 N59 L61V14-L18 HydrophobicContact CG1-CB 3.56Å; V14-L18 HydrophobicContact CG1-CD2 3.43Å; V14-L18 VanDerWaalsContact CG1-CD2 3.43Å; V14-L18 HydrophobicContact CG1-CG 3.66Å; V14-L18 HydrophobicContact CG2-CD2 4.43Å; S15-L18 PolarHBondContact O-N 2.75Å; S15-L18 VanDerWaalsContact O-N 3.15Å; S15-L18 WeakPolarHBondContact OG-CB 3.47Å; S15-L18 PolarHBondContact OG-N 3.43Å; L18-S20 VanDerWaalsContact C-N 3.26Å; L18-S20 PolarHBondContact O-N 3Å; L18-K21 WeakPolarHBondContact O-CB 3.47Å; L18-K21 PolarHBondContact O-N 3.18Å; L18-M22 HydrophobicContact CD1-CE 4.38Å; L18-M22 HydrophobicContact CD2-CE 3.6Å; L18-M22 HydrophobicContact CG-CE 3.7Å; L18-M22 HydrophobicContact CG-SD 4.31Å; L18-M22 VanDerWaalsContact O-CG 3.28Å; L18-M22 WeakPolarHBondContact O-CG 3.38Å; L18-M22 PolarHBondContact O-N 3.27Å; L18-I53 HydrophobicContact CD1-CG2 3.61Å; L18-T57 HydrophobicContact CD1-CG2 3.72Å; L18-T57 WeakPolarHBondContact CD1-OG1 3.23Å; L18-N59 HydrophobicContact CD2-CB 4.26Å; L18-N59 WeakPolarHBondContact CD2-ND2 3.49Å; L18-L61 HydrophobicContact CD2-CD1 4.46Å
19R88.4Confident86.5Confident58 Ų5845.3 Ų45.322%0.21922%0.223CC..Hα-helixtrans-57.4-41.6173.4-178.5176.773.8-146-4.3111.6C9 S15 D16 E17 M22 W23C9-R19 HydrophobicContact CB-CB 4.27Å; C9-R19 HydrophobicContact CB-CG 3.93Å; S15-R19 PolarHBondContact O-N 3.2Å; D16-R19 VanDerWaalsContact CG-NH2 3.29Å; D16-R19 IonicContact OD1-CZ 2.9Å; D16-R19 IonicContact OD1-NE 3.88Å; D16-R19 IonicContact OD1-NH1 2.74Å; D16-R19 PolarHBondContact OD1-NH1 2.92Å; D16-R19 IonicContact OD1-NH2 2.7Å; D16-R19 PolarHBondContact OD1-NH2 3.28Å; D16-R19 IonicContact OD2-NH2 3.89Å; E17-R19 VanDerWaalsContact C-N 3.35Å; R19-M22 PolarHBondContact O-N 3.39Å; R19-W23 PolarHBondContact O-N 3Å
20S86.9Confident86.7Confident32 Ų3247.8 Ų47.822%0.22424%0.236CC..Hα-helixtrans-67.2-39.9178.7-145.70000112.3D16 E17 L18 W23 T24 I148D16-S20 PolarHBondContact O-N 3.04Å; E17-S20 WeakPolarHBondContact O-CB 3.33Å; E17-S20 PolarHBondContact O-N 3.42Å; L18-S20 VanDerWaalsContact C-N 3.26Å; L18-S20 PolarHBondContact O-N 3Å; S20-W23 PolarHBondContact O-N 2.91Å; S20-T24 WeakPolarHBondContact O-CB 3.42Å; S20-T24 PolarHBondContact O-N 3.35Å; S20-T24 PolarHBondContact O-OG1 3.06Å; S20-I148 WeakPolarHBondContact OG-CG2 3.48Å
21K88.4Confident86.9Confident26 Ų2643.1 Ų43.111%0.11323%0.229CC..Hα-helixtrans-62.6-43.6172.8-68171.3169.3172.80111.8E17 L18 T24 C25 I53 T57 F137E17-K21 WeakPolarHBondContact O-CG 3.38Å; E17-K21 PolarHBondContact O-N 3.36Å; E17-K21 VanDerWaalsContact O-N 3.1Å; E17-K21 WeakPolarHBondContact OE1-CE 3.36Å; E17-K21 IonicContact OE1-NZ 2.72Å; E17-K21 PolarHBondContact OE1-NZ 3.48Å; L18-K21 WeakPolarHBondContact O-CB 3.47Å; L18-K21 PolarHBondContact O-N 3.18Å; K21-T24 PolarHBondContact O-N 3.04Å; K21-C25 WeakPolarHBondContact O-CB 3.49Å; K21-C25 PolarHBondContact O-N 3.47Å; K21-I53 HydrophobicContact CB-CG2 3.84Å; K21-T57 HydrophobicContact CD-CG2 4.39Å; K21-F137 HydrophobicContact CB-CD1 4.16Å; K21-F137 HydrophobicContact CB-CG 4.4Å; K21-F137 HydrophobicContact CD-CB 4.2Å; K21-F137 HydrophobicContact CD-CD1 4.24Å; K21-F137 HydrophobicContact CG-CB 4.49Å; K21-F137 HydrophobicContact CG-CD1 3.73Å; K21-F137 HydrophobicContact CG-CE1 4.29Å; K21-F137 HydrophobicContact CG-CG 4.29Å
22M91.2Very high87Confident0 Ų047.5 Ų47.50%025%0.25CS..Hα-helixtrans-61-43.5174.9-70.3170.6172.500111.9L5 V14 L18 R19 C25 L26 I50 I53 A54 L61L5-M22 HydrophobicContact CD1-CB 4.27Å; L5-M22 HydrophobicContact CD2-CB 4.5Å; V14-M22 HydrophobicContact CG1-CE 4.26Å; V14-M22 HydrophobicContact CG1-SD 4.21Å; V14-M22 HydrophobicContact CG2-CE 4.47Å; L18-M22 HydrophobicContact CD1-CE 4.38Å; L18-M22 HydrophobicContact CD2-CE 3.6Å; L18-M22 HydrophobicContact CG-CE 3.7Å; L18-M22 HydrophobicContact CG-SD 4.31Å; L18-M22 VanDerWaalsContact O-CG 3.28Å; L18-M22 WeakPolarHBondContact O-CG 3.38Å; L18-M22 PolarHBondContact O-N 3.27Å; R19-M22 PolarHBondContact O-N 3.39Å; M22-C25 PolarHBondContact O-N 3.04Å; M22-L26 WeakPolarHBondContact O-CB 3.28Å; M22-L26 PolarHBondContact O-N 3.25Å; M22-I50 HydrophobicContact CE-CB 4.39Å; M22-I50 HydrophobicContact CE-CG2 3.73Å; M22-I50 WeakPolarHBondContact CE-O 3.28Å; M22-I50 HydrophobicContact SD-CB 4.33Å; M22-I50 HydrophobicContact SD-CG1 4.14Å; M22-I50 HydrophobicContact SD-CG2 4.05Å; M22-I53 HydrophobicContact CG-CB 3.92Å; M22-I53 HydrophobicContact CG-CG2 3.74Å; M22-A54 HydrophobicContact CE-CB 4.29Å; M22-L61 HydrophobicContact CE-CD1 4.21Å
23W90.3Very high87.1Confident23 Ų2348.8 Ų48.89%0.08726%0.255CS..Hα-helixtrans-62-47.7175.8175.2-109.3000111.8M1 A2 L5 R19 S20 C25 L26 E27 L151 P152M1-W23 HydrophobicContact CB-CZ3 4.48Å; A2-W23 HydrophobicContact CB-CE3 4.21Å; A2-W23 HydrophobicContact CB-CH2 3.73Å; A2-W23 HydrophobicContact CB-CZ2 4.39Å; A2-W23 HydrophobicContact CB-CZ3 3.63Å; L5-W23 HydrophobicContact CD2-CB 3.65Å; L5-W23 HydrophobicContact CD2-CD2 4.42Å; L5-W23 HydrophobicContact CD2-CE3 3.77Å; L5-W23 HydrophobicContact CD2-CG 4.43Å; R19-W23 PolarHBondContact O-N 3Å; S20-W23 PolarHBondContact O-N 2.91Å; W23-C25 VanDerWaalsContact C-N 3.3Å; W23-C25 PolarHBondContact O-N 3.48Å; W23-L26 HydrophobicContact CE3-CD2 4.24Å; W23-L26 HydrophobicContact CZ3-CD2 4.16Å; W23-L26 WeakPolarHBondContact O-CB 3.47Å; W23-L26 PolarHBondContact O-N 2.93Å; W23-L26 VanDerWaalsContact O-N 3.15Å; W23-E27 PolarHBondContact NE1-OE2 2.95Å; W23-E27 PolarHBondContact O-N 3.29Å; W23-L151 HydrophobicContact CB-CD1 4.06Å; W23-L151 HydrophobicContact CD2-CD1 3.51Å; W23-L151 HydrophobicContact CE3-CD1 3.92Å; W23-L151 HydrophobicContact CG-CD1 3.54Å; W23-P152 HydrophobicContact CH2-CG 4.16Å; W23-P152 HydrophobicContact CZ2-CG 3.88Å
24T89.3Confident87.2Confident4 Ų445.2 Ų45.23%0.02525%0.245CC..Hα-helixtrans-61.5-39.6179.8-53.20000111.2S20 K21 S28 F133 F137 S149S20-T24 WeakPolarHBondContact O-CB 3.42Å; S20-T24 PolarHBondContact O-N 3.35Å; S20-T24 PolarHBondContact O-OG1 3.06Å; K21-T24 PolarHBondContact O-N 3.04Å; T24-S28 VanDerWaalsContact O-CB 3.27Å; T24-S28 WeakPolarHBondContact O-CB 3.34Å; T24-S28 PolarHBondContact O-N 2.68Å; T24-F133 HydrophobicContact CG2-CZ 4.23Å; T24-F137 HydrophobicContact CG2-CE1 4.42Å; T24-F137 HydrophobicContact CG2-CZ 3.92Å; T24-S149 PolarHBondContact OG1-N 3.02Å
25C88.8Confident87.1Confident0 Ų048.6 Ų48.60%027%0.27CS..Hα-helixtrans-63.2-46.5172.7-174.40000112.7K21 M22 W23 S28 S29 I53 M130 F133K21-C25 WeakPolarHBondContact O-CB 3.49Å; K21-C25 PolarHBondContact O-N 3.47Å; M22-C25 PolarHBondContact O-N 3.04Å; W23-C25 VanDerWaalsContact C-N 3.3Å; W23-C25 PolarHBondContact O-N 3.48Å; C25-S28 PolarHBondContact O-N 3.39Å; C25-S29 WeakPolarHBondContact O-CB 2.95Å; C25-S29 PolarHBondContact O-N 3.46Å; C25-I53 HydrophobicContact CB-CD1 3.75Å; C25-I53 HydrophobicContact CB-CG1 3.57Å; C25-M130 WeakPolarHBondContact O-CE 3.42Å; C25-F133 HydrophobicContact CB-CE1 4.32Å
26L91.3Very high86.9Confident0 Ų045.5 Ų45.50%025%0.248CC..Hα-helixtrans-61.1-47.1177.5-178.963000111.2M1 M22 W23 S29 L30 P45 L46 A49M1-L26 HydrophobicContact CE-CD2 4.42Å; M22-L26 WeakPolarHBondContact O-CB 3.28Å; M22-L26 PolarHBondContact O-N 3.25Å; W23-L26 HydrophobicContact CE3-CD2 4.24Å; W23-L26 HydrophobicContact CZ3-CD2 4.16Å; W23-L26 WeakPolarHBondContact O-CB 3.47Å; W23-L26 PolarHBondContact O-N 2.93Å; W23-L26 VanDerWaalsContact O-N 3.15Å; L26-S29 PolarHBondContact O-N 3.21Å; L26-S29 PolarHBondContact O-OG 3.41Å; L26-L30 HydrophobicContact CD1-CD1 4.31Å; L26-L30 HydrophobicContact CD1-CG 4.48Å; L26-L30 HydrophobicContact CG-CD1 4.08Å; L26-L30 VanDerWaalsContact O-CG 3.27Å; L26-L30 WeakPolarHBondContact O-CG 3.5Å; L26-L30 PolarHBondContact O-N 2.92Å; L26-P45 HydrophobicContact CD1-CB 4.08Å; L26-L46 HydrophobicContact CD2-CD1 3.75Å; L26-A49 HydrophobicContact CB-CB 3.95Å; L26-A49 HydrophobicContact CD1-CB 4.21Å
27E90.7Very high86.7Confident75 Ų7542.2 Ų42.235%0.3523%0.23SC..Hα-helixtrans-63.8-45.2179.2-176.7174.7-173.100112.2W23 S29 L30 A31 S149W23-E27 PolarHBondContact NE1-OE2 2.95Å; W23-E27 PolarHBondContact O-N 3.29Å; E27-S29 VanDerWaalsContact C-N 3.27Å; E27-S29 PolarHBondContact O-N 2.72Å; E27-L30 PolarHBondContact O-N 3.32Å; E27-L30 VanDerWaalsContact O-N 3.07Å; E27-A31 WeakPolarHBondContact O-CB 3.36Å; E27-A31 PolarHBondContact O-N 3.49Å; E27-S149 WeakPolarHBondContact OE2-CB 2.75Å; E27-S149 PolarHBondContact OE2-OG 3.41Å
28S87.6Confident86.3Confident11 Ų1143.7 Ų43.78%0.07724%0.235CC..Hα-helixtrans-57.3-42.8174.7-176.30000111.3T24 C25 L30 A31 Q32T24-S28 VanDerWaalsContact O-CB 3.27Å; T24-S28 WeakPolarHBondContact O-CB 3.34Å; T24-S28 PolarHBondContact O-N 2.68Å; C25-S28 PolarHBondContact O-N 3.39Å; S28-L30 VanDerWaalsContact C-N 3.31Å; S28-L30 PolarHBondContact O-N 2.94Å; S28-A31 PolarHBondContact O-N 2.9Å; S28-Q32 VanDerWaalsContact O-CB 3.31Å; S28-Q32 WeakPolarHBondContact O-CB 3.45Å; S28-Q32 PolarHBondContact O-N 3.41Å; S28-Q32 PolarHBondContact OG-OE1 3.01Å
29S89.6Confident85.5Confident0 Ų049.6 Ų49.60%027%0.266CS..Hα-helixtrans-63-36.3176.280.50000112.9C25 L26 E27 H33 Y126C25-S29 WeakPolarHBondContact O-CB 2.95Å; C25-S29 PolarHBondContact O-N 3.46Å; L26-S29 PolarHBondContact O-N 3.21Å; L26-S29 PolarHBondContact O-OG 3.41Å; E27-S29 VanDerWaalsContact C-N 3.27Å; E27-S29 PolarHBondContact O-N 2.72Å; S29-H33 CarbonylContact O-C 3.59Å; S29-H33 VanDerWaalsContact O-C 3.29Å; S29-H33 WeakPolarHBondContact O-CA 3.49Å; S29-H33 WeakPolarHBondContact O-CB 3.28Å; S29-H33 PolarHBondContact O-N 3.37Å; S29-Y126 WeakPolarHBondContact CB-OH 3.47Å
30L88.2Confident84.9Confident53 Ų5349.7 Ų49.728%0.27727%0.266SS..Hα-helixtrans-76.5-34.6179.3-67.9172000112.4L26 E27 S28 M37 L42L26-L30 HydrophobicContact CD1-CD1 4.31Å; L26-L30 HydrophobicContact CD1-CG 4.48Å; L26-L30 HydrophobicContact CG-CD1 4.08Å; L26-L30 VanDerWaalsContact O-CG 3.27Å; L26-L30 WeakPolarHBondContact O-CG 3.5Å; L26-L30 PolarHBondContact O-N 2.92Å; E27-L30 PolarHBondContact O-N 3.32Å; E27-L30 VanDerWaalsContact O-N 3.07Å; S28-L30 VanDerWaalsContact C-N 3.31Å; S28-L30 PolarHBondContact O-N 2.94Å; L30-M37 HydrophobicContact CD2-CE 4.12Å; L30-M37 HydrophobicContact CD2-CG 3.77Å; L30-M37 HydrophobicContact CD2-SD 3.35Å; L30-M37 WeakPolarHBondContact CD2-SD 3.42Å; L30-L42 HydrophobicContact CD2-CD2 4.48Å
31A87.4Confident84.6Confident74 Ų7450.4 Ų50.461%0.61227%0.266SS*.Hα-helixtrans-83.7-44.5-177.900000112.6E27 S28E27-A31 WeakPolarHBondContact O-CB 3.36Å; E27-A31 PolarHBondContact O-N 3.49Å; S28-A31 PolarHBondContact O-N 2.9Å
32Q84Confident84.3Confident129 Ų12953 Ų5360%0.60328%0.281SS*.Hα-helixtrans-97.2-22.9-171.2-57.8-175.8-9.500113.2S28S28-Q32 VanDerWaalsContact O-CB 3.31Å; S28-Q32 WeakPolarHBondContact O-CB 3.45Å; S28-Q32 PolarHBondContact O-N 3.41Å; S28-Q32 PolarHBondContact OG-OE1 3.01Å
33H85.1Confident83.9Confident48 Ų4853 Ų5322%0.22228%0.281CS..  trans-128.254-173.5-58.5-58.5000112.5S29 S35 L36 M130S29-H33 CarbonylContact O-C 3.59Å; S29-H33 VanDerWaalsContact O-C 3.29Å; S29-H33 WeakPolarHBondContact O-CA 3.49Å; S29-H33 WeakPolarHBondContact O-CB 3.28Å; S29-H33 PolarHBondContact O-N 3.37Å; H33-S35 PolarHBondContact O-N 2.93Å; H33-L36 HydrophobicContact CB-CD1 3.64Å; H33-L36 HydrophobicContact CB-CG 4.02Å; H33-L36 WeakPolarHBondContact O-CB 3.42Å; H33-L36 PolarHBondContact O-N 3.18Å; H33-M130 PolarHBondContact CD2-SD 3.32Å
34T84.6Confident83.6Confident99 Ų9952.5 Ų52.561%0.60728%0.279SS*.G310 helixtrans-55.9-25.617955.90000113.9L36 M37T34-L36 PolarHBondContact O-N 3.48Å; T34-M37 WeakPolarHBondContact O-CB 3.49Å; T34-M37 PolarHBondContact O-N 3.25Å
35S80.7Confident83.5Confident90 Ų9052.3 Ų52.363%0.62928%0.278SS*.G310 helixtrans-61.7-27.2174.157.70000113.4H33 M37H33-S35 PolarHBondContact O-N 2.93Å; S35-M37 PolarHBondContact O-N 2.83Å
36L80.5Confident83.5Confident3 Ų352.3 Ų52.32%0.01628%0.278CS..G310 helixtrans-69.9-19.2174.3-63.5175.5000112.2H33 T34 F122 L125 Y126 K129H33-L36 HydrophobicContact CB-CD1 3.64Å; H33-L36 HydrophobicContact CB-CG 4.02Å; H33-L36 WeakPolarHBondContact O-CB 3.42Å; H33-L36 PolarHBondContact O-N 3.18Å; T34-L36 PolarHBondContact O-N 3.48Å; L36-F122 HydrophobicContact CB-CE2 4.32Å; L36-F122 VanDerWaalsContact O-CE2 3.31Å; L36-F122 WeakPolarHBondContact O-CE2 3.33Å; L36-L125 HydrophobicContact CD2-CD2 3.85Å; L36-L125 HydrophobicContact CD2-CG 3.79Å; L36-Y126 HydrophobicContact CD1-CD2 3.88Å; L36-Y126 HydrophobicContact CD1-CE2 4.33Å; L36-K129 HydrophobicContact CD1-CB 4.26Å; L36-K129 HydrophobicContact CD2-CG 4.47Å
37M80Confident83.2Confident35 Ų3552.3 Ų52.317%0.17228%0.278CS..G310 helixtrans-90.7-16.8-178.5-58.8-54.1114.700113.8L30 T34 S35 D39 R40 L42 P45L30-M37 HydrophobicContact CD2-CE 4.12Å; L30-M37 HydrophobicContact CD2-CG 3.77Å; L30-M37 HydrophobicContact CD2-SD 3.35Å; L30-M37 WeakPolarHBondContact CD2-SD 3.42Å; T34-M37 WeakPolarHBondContact O-CB 3.49Å; T34-M37 PolarHBondContact O-N 3.25Å; S35-M37 PolarHBondContact O-N 2.83Å; M37-D39 PolarHBondContact O-N 3.49Å; M37-R40 PolarHBondContact O-N 3.25Å; M37-L42 HydrophobicContact SD-CD2 4.2Å; M37-P45 HydrophobicContact CE-CB 3.41Å; M37-P45 VanDerWaalsContact CE-CB 3.41Å; M37-P45 HydrophobicContact CE-CG 3.6Å; M37-P45 HydrophobicContact SD-CB 4.1Å; M37-P45 HydrophobicContact SD-CG 3.59Å; M37-P45 VanDerWaalsContact SD-CG 3.59Å
38K74.7Confident83.1Confident152 Ų15248.8 Ų48.866%0.66126%0.262SS*.THydrogen-bonded Turntrans-67.2127.9-173.8-168.4179.7175.2177.80110.5R40K38-R40 VanDerWaalsContact O-CG 3.23Å; K38-R40 WeakPolarHBondContact O-CG 3.4Å; K38-R40 PolarHBondContact O-N 3.45Å
39D68.8Low83.2Confident130 Ų13048.2 Ų48.270%0.69526%0.258SS*.THydrogen-bonded Turntrans59.426179-48-41.2000114M37M37-D39 PolarHBondContact O-N 3.49Å
40R75.5Confident83.1Confident59 Ų5948.2 Ų48.222%0.22326%0.258CS..SBendtrans-127.2150-174.3-60.9-99.1-170.9-162.2-0.9111.2M37 K38 R116 F122M37-R40 PolarHBondContact O-N 3.25Å; K38-R40 VanDerWaalsContact O-CG 3.23Å; K38-R40 WeakPolarHBondContact O-CG 3.4Å; K38-R40 PolarHBondContact O-N 3.45Å; R40-R116 PolarHBondContact NH1-O 3.17Å; R40-R116 PolarHBondContact NH2-O 3.42Å; R40-F122 HydrophobicContact CG-CD2 4.42Å; R40-F122 HydrophobicContact CG-CE2 4.46Å
41H79.3Confident83.1Confident47 Ų4747.4 Ų47.422%0.21825%0.251CS..  trans-73.9138.9171.7-170.4-118.9000110.7D43 H44 P45 L79 F83H41-D43 IonicContact CE1-OD2 3.69Å; H41-D43 PolarHBondContact CE1-OD2 2.86Å; H41-D43 WeakPolarHBondContact ND1-CB 3.3Å; H41-D43 PolarHBondContact ND1-N 3.03Å; H41-D43 IonicContact ND1-OD2 2.8Å; H41-D43 PolarHBondContact O-N 3.37Å; H41-D43 VanDerWaalsContact O-N 3.1Å; H41-H44 WeakPolarHBondContact O-CB 3.38Å; H41-H44 PolarHBondContact O-N 3.41Å; H41-P45 VanDerWaalsContact O-CD 3.27Å; H41-P45 WeakPolarHBondContact O-CD 3.44Å; H41-L79 VanDerWaalsContact NE2-CD1 3.29Å; H41-L79 WeakPolarHBondContact NE2-CD1 3.43Å; H41-F83 HydrophobicContact CB-CE2 4.36Å; H41-F83 AromaticContact ND1-CE2 3.64Å
42L83.4Confident83.1Confident80 Ų8044.3 Ų44.342%0.41922%0.224SC..THydrogen-bonded Turntrans-63.2-16.3-179.3-70.5176000114M1 L30 M37 H44 P45 L46M1-L42 HydrophobicContact CE-CB 3.95Å; M1-L42 WeakPolarHBondContact CE-O 3.46Å; M1-L42 HydrophobicContact SD-CB 3.86Å; M1-L42 HydrophobicContact SD-CD1 4.31Å; L30-L42 HydrophobicContact CD2-CD2 4.48Å; M37-L42 HydrophobicContact SD-CD2 4.2Å; L42-H44 VanDerWaalsContact C-N 3.34Å; L42-P45 VanDerWaalsContact O-CD 3.26Å; L42-P45 WeakPolarHBondContact O-CD 3.08Å; L42-P45 WeakPolarHBondContact O-CG 3.2Å; L42-L46 PolarHBondContact O-N 3.11Å
43D82.4Confident83.3Confident0 Ų038.1 Ų38.10%020%0.196CC..Hα-helixtrans-82.4-14.2175.8-60.5-17.2000112.8R4 H41 L46 I47 Y70 F83R4-D43 IonicContact CZ-OD1 2.87Å; R4-D43 IonicContact NH1-OD1 3.87Å; R4-D43 PolarHBondContact NH1-OD1 2.79Å; R4-D43 IonicContact NH1-OD2 3.04Å; R4-D43 PolarHBondContact NH1-OD2 3.43Å; R4-D43 VanDerWaalsContact NH1-OD2 3.16Å; H41-D43 IonicContact CE1-OD2 3.69Å; H41-D43 PolarHBondContact CE1-OD2 2.86Å; H41-D43 WeakPolarHBondContact ND1-CB 3.3Å; H41-D43 PolarHBondContact ND1-N 3.03Å; H41-D43 IonicContact ND1-OD2 2.8Å; H41-D43 PolarHBondContact O-N 3.37Å; H41-D43 VanDerWaalsContact O-N 3.1Å; D43-L46 PolarHBondContact O-N 3.22Å; D43-I47 WeakPolarHBondContact O-CG1 3.49Å; D43-I47 PolarHBondContact O-N 3.28Å; D43-Y70 HydrophobicContact CB-CE2 3.86Å; D43-Y70 VanDerWaalsContact CB-OH 3.29Å; D43-Y70 WeakPolarHBondContact CB-OH 3.36Å; D43-Y70 VanDerWaalsContact CG-OH 3.24Å; D43-Y70 WeakPolarHBondContact OD2-CE2 3.49Å; D43-Y70 PolarHBondContact OD2-OH 2.62Å; D43-F83 HydrophobicContact CB-CE2 3.98Å; D43-F83 HydrophobicContact CB-CZ 3.74Å
44H83.6Confident83.4Confident13 Ų1335.9 Ų35.96%0.0619%0.185CC..Hα-helixtrans-61.4-56169.8-61.9152.5000112.1H41 L42 L46 I47 S48 F83 L119 F122H41-H44 WeakPolarHBondContact O-CB 3.38Å; H41-H44 PolarHBondContact O-N 3.41Å; L42-H44 VanDerWaalsContact C-N 3.34Å; H44-L46 VanDerWaalsContact C-N 3.27Å; H44-L46 PolarHBondContact O-N 3.21Å; H44-I47 PolarHBondContact O-N 3.1Å; H44-S48 WeakPolarHBondContact O-CB 3.43Å; H44-S48 PolarHBondContact O-N 3.35Å; H44-S48 PolarHBondContact O-OG 2.8Å; H44-F83 AromaticContact CD2-CD2 3.64Å; H44-F83 AromaticContact CD2-CE2 2.99Å; H44-F83 WeakPolarHBondContact CD2-CE2 3.37Å; H44-F83 AromaticContact CD2-CZ 3.53Å; H44-F83 AromaticContact CG-CE2 3.96Å; H44-F83 AromaticContact NE2-CD2 3.41Å; H44-F83 WeakPolarHBondContact NE2-CD2 3.26Å; H44-F83 AromaticContact NE2-CE2 3.29Å; H44-F83 VanDerWaalsContact NE2-CE2 3.29Å; H44-F83 WeakPolarHBondContact NE2-CE2 3.49Å; H44-L119 HydrophobicContact CB-CD1 3.78Å; H44-L119 VanDerWaalsContact CD2-CD1 3.47Å; H44-L119 WeakPolarHBondContact CD2-CD1 3.43Å; H44-F122 HydrophobicContact CB-CD1 3.7Å; H44-F122 HydrophobicContact CB-CE1 3.67Å; H44-F122 HydrophobicContact CB-CG 4.15Å; H44-F122 HydrophobicContact CB-CZ 4.1Å; H44-F122 WeakPolarHBondContact O-CE1 3.33Å
45P87.3Confident83.4Confident0 Ų034.7 Ų34.70%018%0.178CC..Hα-helixtrans-65.5-28.9175.429.6-39.3000112.6L26 M37 H41 L42 A49 F122 Y126L26-P45 HydrophobicContact CD1-CB 4.08Å; M37-P45 HydrophobicContact CE-CB 3.41Å; M37-P45 VanDerWaalsContact CE-CB 3.41Å; M37-P45 HydrophobicContact CE-CG 3.6Å; M37-P45 HydrophobicContact SD-CB 4.1Å; M37-P45 HydrophobicContact SD-CG 3.59Å; M37-P45 VanDerWaalsContact SD-CG 3.59Å; H41-P45 VanDerWaalsContact O-CD 3.27Å; H41-P45 WeakPolarHBondContact O-CD 3.44Å; L42-P45 VanDerWaalsContact O-CD 3.26Å; L42-P45 WeakPolarHBondContact O-CD 3.08Å; L42-P45 WeakPolarHBondContact O-CG 3.2Å; P45-A49 WeakPolarHBondContact O-CB 3.48Å; P45-A49 PolarHBondContact O-N 3.36Å; P45-F122 HydrophobicContact CB-CE1 4.4Å; P45-F122 HydrophobicContact CB-CZ 4.07Å; P45-Y126 HydrophobicContact CB-CE2 4.05Å
46L88.4Confident83.4Confident1 Ų131.5 Ų31.51%0.00516%0.157CC..Hα-helixtrans-59.3-54.1174.1-179.165.2000111.3M1 R4 L5 L26 L42 D43 H44 A49 I50M1-L46 HydrophobicContact CE-CB 3.86Å; M1-L46 HydrophobicContact CE-CD1 4.33Å; M1-L46 HydrophobicContact CE-CD2 4.31Å; M1-L46 HydrophobicContact CE-CG 4.4Å; R4-L46 HydrophobicContact CB-CD2 4.05Å; L5-L46 HydrophobicContact CB-CD1 3.82Å; L5-L46 HydrophobicContact CD1-CD1 3.79Å; L5-L46 HydrophobicContact CG-CD1 4.37Å; L26-L46 HydrophobicContact CD2-CD1 3.75Å; L42-L46 PolarHBondContact O-N 3.11Å; D43-L46 PolarHBondContact O-N 3.22Å; H44-L46 VanDerWaalsContact C-N 3.27Å; H44-L46 PolarHBondContact O-N 3.21Å; L46-A49 PolarHBondContact O-N 3.23Å; L46-I50 HydrophobicContact CD1-CD1 4.41Å; L46-I50 HydrophobicContact CG-CD1 4.28Å; L46-I50 VanDerWaalsContact O-CG1 3.27Å; L46-I50 WeakPolarHBondContact O-CG1 3.45Å; L46-I50 PolarHBondContact O-N 3.39Å; L46-I50 VanDerWaalsContact O-N 3.11Å
47I86.2Confident83.5Confident0 Ų033.1 Ų33.10%017%0.167CC..Hα-helixtrans-67.7-39.5-179-68.1173.4000110.8D43 H44 I50 Y51 F63 I66 Y70 F83D43-I47 WeakPolarHBondContact O-CG1 3.49Å; D43-I47 PolarHBondContact O-N 3.28Å; H44-I47 PolarHBondContact O-N 3.1Å; I47-I50 PolarHBondContact O-N 2.91Å; I47-Y51 WeakPolarHBondContact O-CB 3.36Å; I47-Y51 PolarHBondContact O-N 3.15Å; I47-F63 HydrophobicContact CG2-CD2 4.48Å; I47-F63 HydrophobicContact CG2-CE2 3.56Å; I47-F63 HydrophobicContact CG2-CZ 3.88Å; I47-I66 HydrophobicContact CG2-CG2 3.98Å; I47-Y70 HydrophobicContact CD1-CD1 4.14Å; I47-Y70 HydrophobicContact CD1-CD2 4.22Å; I47-Y70 HydrophobicContact CD1-CE1 4.45Å; I47-Y70 HydrophobicContact CD1-CG 4.02Å; I47-F83 HydrophobicContact CD1-CE1 3.32Å; I47-F83 HydrophobicContact CD1-CZ 3.64Å
48S87.1Confident83.3Confident0 Ų040.4 Ų40.40%020%0.198CC..Hα-helixtrans-65.6-37.7176.8-59.80000112.9H44 Y51 I52 F122 Y126H44-S48 WeakPolarHBondContact O-CB 3.43Å; H44-S48 PolarHBondContact O-N 3.35Å; H44-S48 PolarHBondContact O-OG 2.8Å; S48-Y51 PolarHBondContact O-N 3.33Å; S48-I52 WeakPolarHBondContact O-CB 3.32Å; S48-I52 WeakPolarHBondContact O-CG2 3.28Å; S48-I52 PolarHBondContact O-N 2.94Å; S48-F122 WeakPolarHBondContact OG-CD1 3.32Å; S48-F122 WeakPolarHBondContact OG-CE1 3.42Å; S48-Y126 VanDerWaalsContact CB-CD1 3.49Å
49A90.3Very high83.2Confident0 Ų036.7 Ų36.70%019%0.186CC..Hα-helixtrans-65.4-41.1174.800000112.1L26 P45 L46 I53 Y126L26-A49 HydrophobicContact CB-CB 3.95Å; L26-A49 HydrophobicContact CD1-CB 4.21Å; P45-A49 WeakPolarHBondContact O-CB 3.48Å; P45-A49 PolarHBondContact O-N 3.36Å; L46-A49 PolarHBondContact O-N 3.23Å; A49-I53 WeakPolarHBondContact O-CB 3.33Å; A49-I53 WeakPolarHBondContact O-CG1 3.14Å; A49-I53 PolarHBondContact O-N 2.94Å; A49-Y126 WeakPolarHBondContact CB-OH 3.15Å
50I88.7Confident83.4Confident0 Ų038 Ų380%019%0.192CC..Hα-helixtrans-62.1-50.6175.3-66.3166.4000109.7L5 M8 L12 M22 L46 I47 A54 I66L5-I50 HydrophobicContact CD1-CD1 3.83Å; L5-I50 HydrophobicContact CD1-CG1 3.68Å; M8-I50 HydrophobicContact CB-CD1 4.21Å; L12-I50 HydrophobicContact CD1-CG2 4.17Å; M22-I50 HydrophobicContact CE-CB 4.39Å; M22-I50 HydrophobicContact CE-CG2 3.73Å; M22-I50 WeakPolarHBondContact CE-O 3.28Å; M22-I50 HydrophobicContact SD-CB 4.33Å; M22-I50 HydrophobicContact SD-CG1 4.14Å; M22-I50 HydrophobicContact SD-CG2 4.05Å; L46-I50 HydrophobicContact CD1-CD1 4.41Å; L46-I50 HydrophobicContact CG-CD1 4.28Å; L46-I50 VanDerWaalsContact O-CG1 3.27Å; L46-I50 WeakPolarHBondContact O-CG1 3.45Å; L46-I50 PolarHBondContact O-N 3.39Å; L46-I50 VanDerWaalsContact O-N 3.11Å; I47-I50 PolarHBondContact O-N 2.91Å; I50-A54 VanDerWaalsContact O-CB 3.3Å; I50-A54 WeakPolarHBondContact O-CB 3.39Å; I50-A54 PolarHBondContact O-N 2.87Å; I50-I66 HydrophobicContact CG2-CD1 3.77Å; I50-I66 HydrophobicContact CG2-CG1 4.04Å; I50-I66 HydrophobicContact CG2-CG2 4.12Å
51Y87.3Confident83.5Confident35 Ų3536.5 Ų36.514%0.13719%0.189CC..Hα-helixtrans-65.5-48.9-176.3-176.8-106.9000112.4I47 S48 I53 A54 T55 F63 I66 L94 Y123I47-Y51 WeakPolarHBondContact O-CB 3.36Å; I47-Y51 PolarHBondContact O-N 3.15Å; S48-Y51 PolarHBondContact O-N 3.33Å; Y51-I53 VanDerWaalsContact C-N 3.3Å; Y51-I53 PolarHBondContact O-N 3.17Å; Y51-A54 WeakPolarHBondContact O-CB 3.23Å; Y51-A54 PolarHBondContact O-N 3.47Å; Y51-A54 VanDerWaalsContact O-N 3.17Å; Y51-T55 PolarHBondContact O-N 3.24Å; Y51-T55 PolarHBondContact O-OG1 3.25Å; Y51-F63 HydrophobicContact CD1-CD2 4.45Å; Y51-F63 HydrophobicContact CD2-CB 4.08Å; Y51-F63 HydrophobicContact CD2-CD2 4.02Å; Y51-F63 HydrophobicContact CE2-CB 3.88Å; Y51-F63 HydrophobicContact CE2-CD2 4.45Å; Y51-F63 HydrophobicContact CG-CD2 4.01Å; Y51-I66 HydrophobicContact CD2-CD1 3.97Å; Y51-I66 HydrophobicContact CG-CD1 4.49Å; Y51-L94 WeakPolarHBondContact OH-CD2 3.32Å; Y51-Y123 HydrophobicContact CD1-CD2 4.13Å; Y51-Y123 HydrophobicContact CD1-CE1 4.02Å; Y51-Y123 AromaticContact CD1-CE2 3.41Å; Y51-Y123 HydrophobicContact CD1-CE2 3.41Å; Y51-Y123 VanDerWaalsContact CD1-CE2 3.41Å; Y51-Y123 AromaticContact CD1-CZ 3.33Å; Y51-Y123 WeakPolarHBondContact CD1-OH 3.38Å; Y51-Y123 AromaticContact CE1-CE1 3.71Å; Y51-Y123 HydrophobicContact CE1-CE1 3.71Å; Y51-Y123 AromaticContact CE1-CE2 3.98Å; Y51-Y123 HydrophobicContact CE1-CE2 3.98Å; Y51-Y123 AromaticContact CE1-CZ 3.39Å; Y51-Y123 VanDerWaalsContact CE1-OH 3.27Å; Y51-Y123 WeakPolarHBondContact CE1-OH 3.29Å
52I88Confident83.5Confident9 Ų937.5 Ų37.55%0.04620%0.198CC..Hα-helixtrans-61.6-37.9-177.5-158.7175.4000112.4S48 A56 Y126 M130 Q131 A134S48-I52 WeakPolarHBondContact O-CB 3.32Å; S48-I52 WeakPolarHBondContact O-CG2 3.28Å; S48-I52 PolarHBondContact O-N 2.94Å; I52-A56 VanDerWaalsContact O-CB 3.24Å; I52-A56 WeakPolarHBondContact O-CB 3.37Å; I52-A56 PolarHBondContact O-N 2.69Å; I52-Y126 HydrophobicContact CG2-CE1 4.03Å; I52-M130 HydrophobicContact CD1-CB 3.81Å; I52-Q131 HydrophobicContact CD1-CB 4.43Å; I52-A134 HydrophobicContact CD1-CB 3.89Å; I52-A134 HydrophobicContact CG1-CB 3.84Å; I52-A134 HydrophobicContact CG2-CB 4.29Å
53I88.1Confident83Confident0 Ų034 Ų340%018%0.179CC..Hα-helixtrans-75.4-36.1178.7-67.1-62.4000111L18 K21 M22 C25 A49 Y51 A56 T57 A134 F137L18-I53 HydrophobicContact CD1-CG2 3.61Å; K21-I53 HydrophobicContact CB-CG2 3.84Å; M22-I53 HydrophobicContact CG-CB 3.92Å; M22-I53 HydrophobicContact CG-CG2 3.74Å; C25-I53 HydrophobicContact CB-CD1 3.75Å; C25-I53 HydrophobicContact CB-CG1 3.57Å; A49-I53 WeakPolarHBondContact O-CB 3.33Å; A49-I53 WeakPolarHBondContact O-CG1 3.14Å; A49-I53 PolarHBondContact O-N 2.94Å; Y51-I53 VanDerWaalsContact C-N 3.3Å; Y51-I53 PolarHBondContact O-N 3.17Å; I53-A56 PolarHBondContact O-N 3.37Å; I53-T57 HydrophobicContact CG2-CG2 4.41Å; I53-T57 WeakPolarHBondContact O-CB 3.4Å; I53-T57 WeakPolarHBondContact O-CG2 3.27Å; I53-T57 PolarHBondContact O-N 3.07Å; I53-T57 PolarHBondContact O-OG1 3.29Å; I53-A134 HydrophobicContact CD1-CB 4.04Å; I53-F137 HydrophobicContact CD1-CD2 3.61Å; I53-F137 HydrophobicContact CD1-CE2 4.12Å; I53-F137 HydrophobicContact CD1-CG 4.32Å
54A86.1Confident82.5Confident0 Ų038.6 Ų38.60%020%0.201CC..Hα-helixtrans-61-47.5171.600000111.6M22 I50 Y51 T57 K58 N59 L61M22-A54 HydrophobicContact CE-CB 4.29Å; I50-A54 VanDerWaalsContact O-CB 3.3Å; I50-A54 WeakPolarHBondContact O-CB 3.39Å; I50-A54 PolarHBondContact O-N 2.87Å; Y51-A54 WeakPolarHBondContact O-CB 3.23Å; Y51-A54 PolarHBondContact O-N 3.47Å; Y51-A54 VanDerWaalsContact O-N 3.17Å; A54-T57 PolarHBondContact O-N 3.16Å; A54-T57 PolarHBondContact O-OG1 3.12Å; A54-K58 PolarHBondContact O-N 3.43Å; A54-N59 HydrophobicContact CB-CB 4.34Å; A54-N59 PolarHBondContact O-N 3.17Å; A54-L61 HydrophobicContact CB-CB 3.87Å; A54-L61 HydrophobicContact CB-CD1 3.8Å; A54-L61 HydrophobicContact CB-CG 4.32Å
55T84.3Confident82.3Confident74 Ų7441.9 Ų41.945%0.45422%0.217SC..Hα-helixtrans-62.2-45.2176-51.30000111.7Y51 T57 K58Y51-T55 PolarHBondContact O-N 3.24Å; Y51-T55 PolarHBondContact O-OG1 3.25Å; T55-T57 VanDerWaalsContact C-N 3.33Å; T55-T57 PolarHBondContact O-N 2.86Å; T55-K58 PolarHBondContact O-N 3.11Å
56A82.5Confident82Confident24 Ų2441.9 Ų41.920%0.19822%0.217CC..Hα-helixtrans-64.1-36.1-179.800000112.8I52 I53 K58 A134 A138I52-A56 VanDerWaalsContact O-CB 3.24Å; I52-A56 WeakPolarHBondContact O-CB 3.37Å; I52-A56 PolarHBondContact O-N 2.69Å; I53-A56 PolarHBondContact O-N 3.37Å; A56-K58 VanDerWaalsContact C-N 3.28Å; A56-K58 PolarHBondContact O-N 2.89Å; A56-A134 HydrophobicContact CB-CB 4.22Å; A56-A138 WeakPolarHBondContact O-CB 3.47Å
57T81Confident81.4Confident37 Ų3741.9 Ų41.923%0.22722%0.217CC..THydrogen-bonded Turntrans-86.76178.957.90000113.9L18 K21 I53 A54 T55 N59L18-T57 HydrophobicContact CD1-CG2 3.72Å; L18-T57 WeakPolarHBondContact CD1-OG1 3.23Å; K21-T57 HydrophobicContact CD-CG2 4.39Å; I53-T57 HydrophobicContact CG2-CG2 4.41Å; I53-T57 WeakPolarHBondContact O-CB 3.4Å; I53-T57 WeakPolarHBondContact O-CG2 3.27Å; I53-T57 PolarHBondContact O-N 3.07Å; I53-T57 PolarHBondContact O-OG1 3.29Å; A54-T57 PolarHBondContact O-N 3.16Å; A54-T57 PolarHBondContact O-OG1 3.12Å; T55-T57 VanDerWaalsContact C-N 3.33Å; T55-T57 PolarHBondContact O-N 2.86Å; T57-N59 PolarHBondContact O-N 3.21Å; T57-N59 PolarHBondContact OG1-ND2 2.77Å
58K75.9Confident80.8Confident187 Ų18747.6 Ų47.681%0.81324%0.243SC*.THydrogen-bonded Turntrans54.631.8-174.7-56.4-177.8-179.3177.40113.2A54 T55 A56A54-K58 PolarHBondContact O-N 3.43Å; T55-K58 PolarHBondContact O-N 3.11Å; A56-K58 VanDerWaalsContact C-N 3.28Å; A56-K58 PolarHBondContact O-N 2.89Å
59N73.5Confident80.3Confident75 Ų7552.5 Ų52.540%0.40126%0.262SS..  trans-75.4134167.3-101-63.3000109.1L18 A54 T57 L61L18-N59 HydrophobicContact CD2-CB 4.26Å; L18-N59 WeakPolarHBondContact CD2-ND2 3.49Å; A54-N59 HydrophobicContact CB-CB 4.34Å; A54-N59 PolarHBondContact O-N 3.17Å; T57-N59 PolarHBondContact O-N 3.21Å; T57-N59 PolarHBondContact OG1-ND2 2.77Å; N59-L61 HydrophobicContact CB-CG 4.42Å; N59-L61 PolarHBondContact O-N 2.91Å
60N73.5Confident79.5Confident157 Ų15752.8 Ų52.884%0.8426%0.263SS*.  trans-73.736.5179.9-63.1-59.9000112.8T62N60-T62 PolarHBondContact O-N 3.1Å
61L77.3Confident78.4Confident27 Ų2756.2 Ų56.214%0.14128%0.278CS..  trans-84.5116.4175.8-65.2170.8000109L12 V14 L18 M22 A54 N59 I66L12-L61 HydrophobicContact CD2-CD2 4.47Å; V14-L61 HydrophobicContact CG2-CD1 3.86Å; L18-L61 HydrophobicContact CD2-CD1 4.46Å; M22-L61 HydrophobicContact CE-CD1 4.21Å; A54-L61 HydrophobicContact CB-CB 3.87Å; A54-L61 HydrophobicContact CB-CD1 3.8Å; A54-L61 HydrophobicContact CB-CG 4.32Å; N59-L61 HydrophobicContact CB-CG 4.42Å; N59-L61 PolarHBondContact O-N 2.91Å; L61-I66 HydrophobicContact CB-CD1 4.43Å
62T78Confident77.2Confident68 Ų6858.7 Ų58.742%0.41730%0.296SS..  trans-82.1154.3173.964.40000110.6N60 E64 E65 I66N60-T62 PolarHBondContact O-N 3.1Å; T62-E64 PolarHBondContact O-N 3.02Å; T62-E65 PolarHBondContact N-OE2 2.89Å; T62-E65 PolarHBondContact O-N 3.01Å; T62-E65 VanDerWaalsContact OG1-CD 3.27Å; T62-E65 VanDerWaalsContact OG1-CG 3.23Å; T62-E65 WeakPolarHBondContact OG1-CG 3.44Å; T62-E65 PolarHBondContact OG1-N 3.43Å; T62-E65 PolarHBondContact OG1-OE2 2.96Å; T62-I66 WeakPolarHBondContact O-CG1 3.41Å; T62-I66 PolarHBondContact O-N 3.24Å
63F73.7Confident75.7Confident6 Ų659.5 Ų59.53%0.02630%0.3CS..Hα-helixtrans-60.2-34.8174.6-169.2-96.9000111.8I47 Y51 I66 V67 I87 L90 L94 L119I47-F63 HydrophobicContact CG2-CD2 4.48Å; I47-F63 HydrophobicContact CG2-CE2 3.56Å; I47-F63 HydrophobicContact CG2-CZ 3.88Å; Y51-F63 HydrophobicContact CD1-CD2 4.45Å; Y51-F63 HydrophobicContact CD2-CB 4.08Å; Y51-F63 HydrophobicContact CD2-CD2 4.02Å; Y51-F63 HydrophobicContact CE2-CB 3.88Å; Y51-F63 HydrophobicContact CE2-CD2 4.45Å; Y51-F63 HydrophobicContact CG-CD2 4.01Å; F63-I66 PolarHBondContact O-N 3.1Å; F63-V67 HydrophobicContact CD1-CG2 3.78Å; F63-V67 HydrophobicContact CE1-CG2 3.28Å; F63-V67 HydrophobicContact CE2-CG2 4.44Å; F63-V67 HydrophobicContact CZ-CG2 3.62Å; F63-V67 VanDerWaalsContact O-CB 3.29Å; F63-V67 WeakPolarHBondContact O-CB 3.41Å; F63-V67 VanDerWaalsContact O-CG2 3.3Å; F63-V67 WeakPolarHBondContact O-CG2 3.21Å; F63-V67 PolarHBondContact O-N 3.48Å; F63-I87 HydrophobicContact CE1-CG1 4.47Å; F63-L90 HydrophobicContact CD1-CB 4.2Å; F63-L90 HydrophobicContact CD1-CD1 4.24Å; F63-L90 HydrophobicContact CE1-CB 3.71Å; F63-L90 HydrophobicContact CE1-CD1 3.35Å; F63-L90 HydrophobicContact CE1-CG 4.08Å; F63-L90 HydrophobicContact CE2-CD1 3.78Å; F63-L90 HydrophobicContact CZ-CB 4.39Å; F63-L90 HydrophobicContact CZ-CD1 3.12Å; F63-L90 HydrophobicContact CZ-CG 4.28Å; F63-L94 HydrophobicContact CB-CD1 3.53Å; F63-L94 HydrophobicContact CD1-CD1 3.82Å; F63-L94 HydrophobicContact CD2-CD1 4.33Å; F63-L94 HydrophobicContact CG-CD1 3.62Å; F63-L119 HydrophobicContact CZ-CD2 3.84Å; F63-L119 HydrophobicContact CZ-CG 4.35Å
64E72.3Confident73.8Confident97 Ų9763.2 Ų63.245%0.45332%0.324SS..Hα-helixtrans-61-47.1178.1-66.9-178.9-166.800112T62 V67 E68 T91T62-E64 PolarHBondContact O-N 3.02Å; E64-V67 PolarHBondContact O-N 3.33Å; E64-E68 VanDerWaalsContact O-CB 3.29Å; E64-E68 WeakPolarHBondContact O-CB 3.15Å; E64-E68 PolarHBondContact O-N 3.38Å; E64-T91 HydrophobicContact CG-CG2 3.83Å; E64-T91 WeakPolarHBondContact OE1-CG2 3.35Å
65E78.3Confident72.2Confident83 Ų8369.6 Ų69.639%0.38835%0.349SS..Hα-helixtrans-62.7-45.3177.8-71.5164.2135.800111.7T62 V67 E68 R69T62-E65 PolarHBondContact N-OE2 2.89Å; T62-E65 PolarHBondContact O-N 3.01Å; T62-E65 VanDerWaalsContact OG1-CD 3.27Å; T62-E65 VanDerWaalsContact OG1-CG 3.23Å; T62-E65 WeakPolarHBondContact OG1-CG 3.44Å; T62-E65 PolarHBondContact OG1-N 3.43Å; T62-E65 PolarHBondContact OG1-OE2 2.96Å; E65-V67 VanDerWaalsContact C-N 3.29Å; E65-V67 PolarHBondContact O-N 3.4Å; E65-E68 PolarHBondContact O-N 2.97Å; E65-R69 VanDerWaalsContact O-CG 3.29Å; E65-R69 WeakPolarHBondContact O-CG 3.27Å; E65-R69 PolarHBondContact O-N 2.96Å
66I81.4Confident70.7Confident0 Ų066.8 Ų66.80%033%0.332CS..Hα-helixtrans-59.1-46.7178.6-63.2164.6000110.1M8 L12 I47 I50 Y51 L61 T62 F63 Y70M8-I66 HydrophobicContact CE-CG2 4.29Å; M8-I66 VanDerWaalsContact CE-O 3.28Å; M8-I66 WeakPolarHBondContact CE-O 3.44Å; L12-I66 HydrophobicContact CD1-CB 4.5Å; L12-I66 HydrophobicContact CD1-CG1 4.07Å; L12-I66 HydrophobicContact CD1-CG2 4.41Å; L12-I66 HydrophobicContact CD2-CG1 4.35Å; I47-I66 HydrophobicContact CG2-CG2 3.98Å; I50-I66 HydrophobicContact CG2-CD1 3.77Å; I50-I66 HydrophobicContact CG2-CG1 4.04Å; I50-I66 HydrophobicContact CG2-CG2 4.12Å; Y51-I66 HydrophobicContact CD2-CD1 3.97Å; Y51-I66 HydrophobicContact CG-CD1 4.49Å; L61-I66 HydrophobicContact CB-CD1 4.43Å; T62-I66 WeakPolarHBondContact O-CG1 3.41Å; T62-I66 PolarHBondContact O-N 3.24Å; F63-I66 PolarHBondContact O-N 3.1Å; I66-Y70 WeakPolarHBondContact O-CB 3.47Å; I66-Y70 PolarHBondContact O-N 3.39Å; I66-Y70 VanDerWaalsContact O-N 3.1Å
67V75.6Confident69Low1 Ų170.3 Ų70.31%0.00635%0.347CS..Hα-helixtrans-64.9-44.3178.3156.30000111.7F63 E64 E65 R69 Y70 K71 I87F63-V67 HydrophobicContact CD1-CG2 3.78Å; F63-V67 HydrophobicContact CE1-CG2 3.28Å; F63-V67 HydrophobicContact CE2-CG2 4.44Å; F63-V67 HydrophobicContact CZ-CG2 3.62Å; F63-V67 VanDerWaalsContact O-CB 3.29Å; F63-V67 WeakPolarHBondContact O-CB 3.41Å; F63-V67 VanDerWaalsContact O-CG2 3.3Å; F63-V67 WeakPolarHBondContact O-CG2 3.21Å; F63-V67 PolarHBondContact O-N 3.48Å; E64-V67 PolarHBondContact O-N 3.33Å; E65-V67 VanDerWaalsContact C-N 3.29Å; E65-V67 PolarHBondContact O-N 3.4Å; V67-R69 VanDerWaalsContact C-N 3.34Å; V67-R69 PolarHBondContact O-N 2.93Å; V67-Y70 WeakPolarHBondContact O-CB 3.49Å; V67-Y70 PolarHBondContact O-N 3Å; V67-K71 HydrophobicContact CG1-CD 4.23Å; V67-K71 HydrophobicContact CG1-CG 4.48Å; V67-K71 VanDerWaalsContact O-CG 3.28Å; V67-K71 WeakPolarHBondContact O-CG 3.46Å; V67-K71 PolarHBondContact O-N 2.77Å; V67-I87 HydrophobicContact CB-CD1 4.42Å; V67-I87 HydrophobicContact CB-CG2 4.25Å; V67-I87 HydrophobicContact CG1-CD1 3.97Å; V67-I87 HydrophobicContact CG1-CG2 3.37Å; V67-I87 HydrophobicContact CG2-CD1 3.73Å; V67-I87 HydrophobicContact CG2-CG1 4.08Å; V67-I87 HydrophobicContact CG2-CG2 3.94Å
68E74.8Confident67.2Low119 Ų11979.4 Ų79.456%0.55638%0.377SS*.Hα-helixtrans-60.5-45.5-179.5-170.6-174179.700111.1E64 E65 Y70 K71 T72E64-E68 VanDerWaalsContact O-CB 3.29Å; E64-E68 WeakPolarHBondContact O-CB 3.15Å; E64-E68 PolarHBondContact O-N 3.38Å; E65-E68 PolarHBondContact O-N 2.97Å; E68-Y70 VanDerWaalsContact C-N 3.28Å; E68-Y70 PolarHBondContact O-N 2.95Å; E68-K71 WeakPolarHBondContact O-CB 3.39Å; E68-K71 PolarHBondContact O-N 2.88Å; E68-K71 VanDerWaalsContact O-N 3.11Å; E68-T72 PolarHBondContact O-N 3.19Å
69R75.2Confident66Low104 Ų10473.6 Ų73.639%0.39236%0.355SS..Hα-helixtrans-66-33.5177.3-59.3-58.1-101.6-144.8-0.9112.2M8 K11 L12 E65 V67 T72M8-R69 HydrophobicContact CE-CB 4.23Å; K11-R69 HydrophobicContact CB-CB 4.25Å; K11-R69 PolarHBondContact O-NE 3.33Å; K11-R69 PolarHBondContact O-NH2 3.2Å; L12-R69 HydrophobicContact CD2-CB 4.17Å; L12-R69 HydrophobicContact CD2-CG 3.67Å; L12-R69 HydrophobicContact CG-CB 4.4Å; L12-R69 HydrophobicContact CG-CG 4.26Å; E65-R69 VanDerWaalsContact O-CG 3.29Å; E65-R69 WeakPolarHBondContact O-CG 3.27Å; E65-R69 PolarHBondContact O-N 2.96Å; V67-R69 VanDerWaalsContact C-N 3.34Å; V67-R69 PolarHBondContact O-N 2.93Å; R69-T72 PolarHBondContact O-N 3.16Å; R69-T72 PolarHBondContact O-OG1 2.93Å
70Y74.3Confident65.1Low6 Ų671 Ų712%0.02434%0.34CS..Hα-helixtrans-66.5-35.7172.8-178-95.6000112.3M8 D43 I47 I66 V67 E68 T72 E73 N76 F83M8-Y70 HydrophobicContact CE-CD2 4.46Å; M8-Y70 HydrophobicContact SD-CD2 4.05Å; M8-Y70 HydrophobicContact SD-CG 4.48Å; D43-Y70 HydrophobicContact CB-CE2 3.86Å; D43-Y70 VanDerWaalsContact CB-OH 3.29Å; D43-Y70 WeakPolarHBondContact CB-OH 3.36Å; D43-Y70 VanDerWaalsContact CG-OH 3.24Å; D43-Y70 WeakPolarHBondContact OD2-CE2 3.49Å; D43-Y70 PolarHBondContact OD2-OH 2.62Å; I47-Y70 HydrophobicContact CD1-CD1 4.14Å; I47-Y70 HydrophobicContact CD1-CD2 4.22Å; I47-Y70 HydrophobicContact CD1-CE1 4.45Å; I47-Y70 HydrophobicContact CD1-CG 4.02Å; I66-Y70 WeakPolarHBondContact O-CB 3.47Å; I66-Y70 PolarHBondContact O-N 3.39Å; I66-Y70 VanDerWaalsContact O-N 3.1Å; V67-Y70 WeakPolarHBondContact O-CB 3.49Å; V67-Y70 PolarHBondContact O-N 3Å; E68-Y70 VanDerWaalsContact C-N 3.28Å; E68-Y70 PolarHBondContact O-N 2.95Å; Y70-T72 VanDerWaalsContact C-N 3.29Å; Y70-T72 PolarHBondContact O-N 3.32Å; Y70-E73 PolarHBondContact O-N 3.42Å; Y70-N76 PolarHBondContact OH-ND2 3.28Å; Y70-N76 VanDerWaalsContact OH-ND2 3.17Å; Y70-F83 HydrophobicContact CD1-CD1 4.26Å; Y70-F83 HydrophobicContact CD1-CE1 4.01Å; Y70-F83 AromaticContact CE1-CD1 3.67Å; Y70-F83 HydrophobicContact CE1-CD1 3.67Å; Y70-F83 AromaticContact CE1-CE1 3.51Å; Y70-F83 HydrophobicContact CE1-CE1 3.51Å; Y70-F83 HydrophobicContact CE1-CZ 4.21Å
71K66.6Low64Low71 Ų7169.6 Ų69.631%0.30933%0.332SS..Hα-helixtrans-63.6-29.8178-69.6170.6-176.9167.60113.8V67 E68 E73 Y84V67-K71 HydrophobicContact CG1-CD 4.23Å; V67-K71 HydrophobicContact CG1-CG 4.48Å; V67-K71 VanDerWaalsContact O-CG 3.28Å; V67-K71 WeakPolarHBondContact O-CG 3.46Å; V67-K71 PolarHBondContact O-N 2.77Å; E68-K71 WeakPolarHBondContact O-CB 3.39Å; E68-K71 PolarHBondContact O-N 2.88Å; E68-K71 VanDerWaalsContact O-N 3.11Å; K71-E73 PolarHBondContact O-N 3.46Å; K71-Y84 HydrophobicContact CD-CE1 3.67Å; K71-Y84 HydrophobicContact CG-CE1 3.61Å
72T60.4Low62.8Low87 Ų8774.4 Ų74.453%0.53436%0.356SS..THydrogen-bonded Turntrans-72.8-0.5-176.762.20000114.3E68 R69 Y70 P74E68-T72 PolarHBondContact O-N 3.19Å; R69-T72 PolarHBondContact O-N 3.16Å; R69-T72 PolarHBondContact O-OG1 2.93Å; Y70-T72 VanDerWaalsContact C-N 3.29Å; Y70-T72 PolarHBondContact O-N 3.32Å; T72-P74 WeakPolarHBondContact O-CD 3.23Å
73E56.8Low61.8Low27 Ų2771.4 Ų71.413%0.12634%0.338CS..  trans-77.5115-178.4-150.1176.7157.300112Y70 K71 Y75Y70-E73 PolarHBondContact O-N 3.42Å; K71-E73 PolarHBondContact O-N 3.46Å; E73-Y75 PolarHBondContact O-N 2.87Å
74P49.2Very low61Low77 Ų7774.6 Ų74.650%0.535%0.35SS..THydrogen-bonded Turntrans-725.5-164.425.7-33.1000116.5T72 K191T72-P74 WeakPolarHBondContact O-CD 3.23Å; P74-K191 PolarHBondContact O-NZ 3.1Å
75Y52.1Low60.2Low134 Ų13478.2 Ų78.253%0.52536%0.359SS..THydrogen-bonded Turntrans-115.9-4.6-174.5-63.2-81.6000114.8E73 N77 R175E73-Y75 PolarHBondContact O-N 2.87Å; Y75-N77 PolarHBondContact O-N 3.35Å; Y75-R175 VanDerWaalsContact CE1-NH1 3.33Å; Y75-R175 VanDerWaalsContact CZ-NH1 3.32Å; Y75-R175 WeakPolarHBondContact OH-CD 3.41Å; Y75-R175 PolarHBondContact OH-NE 3.45Å; Y75-R175 PolarHBondContact OH-NH1 3.2Å
76N51.7Low59.2Low16 Ų1674.5 Ų74.59%0.08634%0.343CS..  trans-93.924.5-169.9-109.6-25.7000115.5Y70 R78 L79 N80Y70-N76 PolarHBondContact OH-ND2 3.28Å; Y70-N76 VanDerWaalsContact OH-ND2 3.17Å; N76-R78 VanDerWaalsContact C-N 3.25Å; N76-R78 PolarHBondContact O-N 3.37Å; N76-L79 PolarHBondContact O-N 3.24Å; N76-L79 VanDerWaalsContact OD1-CD1 3.26Å; N76-L79 WeakPolarHBondContact OD1-CD1 3.41Å; N76-N80 VanDerWaalsContact O-CB 3.24Å; N76-N80 WeakPolarHBondContact O-CB 3.29Å; N76-N80 PolarHBondContact O-N 3.48Å
77N47.6Very low57.9Low98 Ų9874.7 Ų74.752%0.52434%0.344SS..THydrogen-bonded Turntrans-60.7-22.5-166.3-6322.5000115.8Y75Y75-N77 PolarHBondContact O-N 3.35Å
78R43.9Very low57Low228 Ų22879 Ų7986%0.8637%0.367SS*.THydrogen-bonded Turntrans-96.9-35.8177.2-89.6-173.7167.8-177.8-3.6114N76N76-R78 VanDerWaalsContact C-N 3.25Å; N76-R78 PolarHBondContact O-N 3.37Å
79L50.1Low56Low65 Ų6576 Ų7634%0.3436%0.359SS..Hα-helixtrans-71.7-26.9175.6-72.3163.2000111H41 N76 I81 I82 F83H41-L79 VanDerWaalsContact NE2-CD1 3.29Å; H41-L79 WeakPolarHBondContact NE2-CD1 3.43Å; N76-L79 PolarHBondContact O-N 3.24Å; N76-L79 VanDerWaalsContact OD1-CD1 3.26Å; N76-L79 WeakPolarHBondContact OD1-CD1 3.41Å; L79-I81 PolarHBondContact O-N 3.03Å; L79-I82 PolarHBondContact O-N 3.39Å; L79-F83 WeakPolarHBondContact O-CB 3.42Å; L79-F83 PolarHBondContact O-N 3.12Å; L79-F83 VanDerWaalsContact O-N 3.1Å
80N53.6Low54.9Low19 Ų1971.2 Ų71.210%0.10234%0.341CS..Hα-helixtrans-50.2-47.6178-114.5-23.2000113.4N76 I82 F83 Y84N76-N80 VanDerWaalsContact O-CB 3.24Å; N76-N80 WeakPolarHBondContact O-CB 3.29Å; N76-N80 PolarHBondContact O-N 3.48Å; N80-I82 PolarHBondContact O-N 3.17Å; N80-F83 PolarHBondContact O-N 3.4Å; N80-Y84 HydrophobicContact CB-CD2 3.67Å; N80-Y84 HydrophobicContact CB-CE2 3.24Å; N80-Y84 VanDerWaalsContact CG-OH 3.22Å; N80-Y84 PolarHBondContact ND2-OH 3.43Å; N80-Y84 VanDerWaalsContact ND2-OH 3.14Å; N80-Y84 WeakPolarHBondContact O-CA 3.38Å; N80-Y84 WeakPolarHBondContact O-CB 3.45Å; N80-Y84 WeakPolarHBondContact O-CD2 3.29Å; N80-Y84 PolarHBondContact O-N 2.78Å; N80-Y84 WeakPolarHBondContact OD1-CE2 3.32Å; N80-Y84 PolarHBondContact OD1-OH 2.92Å
81I51.3Low53.9Low128 Ų12872.4 Ų72.466%0.65635%0.349SS*.Hα-helixtrans-66-46-172.8-70.9169.1000113.2L79 F83 Y84 R85L79-I81 PolarHBondContact O-N 3.03Å; I81-F83 VanDerWaalsContact C-N 3.35Å; I81-Y84 PolarHBondContact O-N 2.94Å; I81-R85 PolarHBondContact O-N 2.84Å; I81-R85 VanDerWaalsContact O-N 3.09Å
82I52.9Low53.4Low128 Ų12875.6 Ų75.666%0.65637%0.369SS*.Hα-helixtrans-68.5-42.2-180-61.8173000109.3L79 N80 S86L79-I82 PolarHBondContact O-N 3.39Å; N80-I82 PolarHBondContact O-N 3.17Å; I82-S86 WeakPolarHBondContact O-CB 3.42Å; I82-S86 PolarHBondContact O-N 3.15Å; I82-S86 VanDerWaalsContact O-N 3.16Å
83F57.2Low53Low6 Ų675.2 Ų75.23%0.02636%0.363CS..Hα-helixtrans-68.5-36.2179-139.5-99.6000112H41 D43 H44 I47 Y70 L79 N80 I81 S86 I87 L119H41-F83 HydrophobicContact CB-CE2 4.36Å; H41-F83 AromaticContact ND1-CE2 3.64Å; D43-F83 HydrophobicContact CB-CE2 3.98Å; D43-F83 HydrophobicContact CB-CZ 3.74Å; H44-F83 AromaticContact CD2-CD2 3.64Å; H44-F83 AromaticContact CD2-CE2 2.99Å; H44-F83 WeakPolarHBondContact CD2-CE2 3.37Å; H44-F83 AromaticContact CD2-CZ 3.53Å; H44-F83 AromaticContact CG-CE2 3.96Å; H44-F83 AromaticContact NE2-CD2 3.41Å; H44-F83 WeakPolarHBondContact NE2-CD2 3.26Å; H44-F83 AromaticContact NE2-CE2 3.29Å; H44-F83 VanDerWaalsContact NE2-CE2 3.29Å; H44-F83 WeakPolarHBondContact NE2-CE2 3.49Å; I47-F83 HydrophobicContact CD1-CE1 3.32Å; I47-F83 HydrophobicContact CD1-CZ 3.64Å; Y70-F83 HydrophobicContact CD1-CD1 4.26Å; Y70-F83 HydrophobicContact CD1-CE1 4.01Å; Y70-F83 AromaticContact CE1-CD1 3.67Å; Y70-F83 HydrophobicContact CE1-CD1 3.67Å; Y70-F83 AromaticContact CE1-CE1 3.51Å; Y70-F83 HydrophobicContact CE1-CE1 3.51Å; Y70-F83 HydrophobicContact CE1-CZ 4.21Å; L79-F83 WeakPolarHBondContact O-CB 3.42Å; L79-F83 PolarHBondContact O-N 3.12Å; L79-F83 VanDerWaalsContact O-N 3.1Å; N80-F83 PolarHBondContact O-N 3.4Å; I81-F83 VanDerWaalsContact C-N 3.35Å; F83-S86 VanDerWaalsContact O-CB 3.32Å; F83-S86 WeakPolarHBondContact O-CB 3.43Å; F83-S86 PolarHBondContact O-N 2.95Å; F83-I87 HydrophobicContact CD1-CD1 3.31Å; F83-I87 HydrophobicContact CD1-CG1 4.23Å; F83-I87 HydrophobicContact CE1-CD1 3.6Å; F83-I87 HydrophobicContact CG-CD1 4.38Å; F83-I87 WeakPolarHBondContact O-CB 3.41Å; F83-I87 VanDerWaalsContact O-CG1 3.25Å; F83-I87 WeakPolarHBondContact O-CG1 3.16Å; F83-I87 PolarHBondContact O-N 3.42Å; F83-L119 HydrophobicContact CE1-CD2 4.24Å; F83-L119 HydrophobicContact CZ-CD2 4.41Å
84Y56Low52.7Low73 Ų7375.8 Ų75.829%0.28637%0.367SS..Hα-helixtrans-65.6-46.2175.1-79.1-53.9000112.2K71 N80 I81 S86 I87 N88K71-Y84 HydrophobicContact CD-CE1 3.67Å; K71-Y84 HydrophobicContact CG-CE1 3.61Å; N80-Y84 HydrophobicContact CB-CD2 3.67Å; N80-Y84 HydrophobicContact CB-CE2 3.24Å; N80-Y84 VanDerWaalsContact CG-OH 3.22Å; N80-Y84 PolarHBondContact ND2-OH 3.43Å; N80-Y84 VanDerWaalsContact ND2-OH 3.14Å; N80-Y84 WeakPolarHBondContact O-CA 3.38Å; N80-Y84 WeakPolarHBondContact O-CB 3.45Å; N80-Y84 WeakPolarHBondContact O-CD2 3.29Å; N80-Y84 PolarHBondContact O-N 2.78Å; N80-Y84 WeakPolarHBondContact OD1-CE2 3.32Å; N80-Y84 PolarHBondContact OD1-OH 2.92Å; I81-Y84 PolarHBondContact O-N 2.94Å; Y84-S86 PolarHBondContact O-N 3.36Å; Y84-I87 PolarHBondContact O-N 2.95Å; Y84-N88 WeakPolarHBondContact O-CB 3.4Å; Y84-N88 PolarHBondContact O-N 3.25Å; Y84-N88 PolarHBondContact O-ND2 3.24Å
85R56.4Low52.8Low172 Ų17276.6 Ų76.665%0.64937%0.371SS*.Hα-helixtrans-62.4-36.3177.3-172.5172.8139.7-173.9-8.7110.8I81 D114I81-R85 PolarHBondContact O-N 2.84Å; I81-R85 VanDerWaalsContact O-N 3.09Å; R85-D114 IonicContact NH2-OD1 2.95Å; R85-D114 PolarHBondContact NH2-OD1 3.09Å
86S55.3Low52.4Low6 Ų676.2 Ų76.24%0.04238%0.378CS..Hα-helixtrans-70.3-40177.4-153.50000113.3I82 F83 Y84 G117 S118 L119I82-S86 WeakPolarHBondContact O-CB 3.42Å; I82-S86 PolarHBondContact O-N 3.15Å; I82-S86 VanDerWaalsContact O-N 3.16Å; F83-S86 VanDerWaalsContact O-CB 3.32Å; F83-S86 WeakPolarHBondContact O-CB 3.43Å; F83-S86 PolarHBondContact O-N 2.95Å; Y84-S86 PolarHBondContact O-N 3.36Å; S86-G117 PolarHBondContact OG-O 3.44Å; S86-G117 VanDerWaalsContact OG-O 3.13Å; S86-S118 PolarHBondContact O-OG 3.38Å; S86-S118 VanDerWaalsContact OG-C 3.29Å; S86-S118 VanDerWaalsContact OG-CA 3.26Å; S86-S118 WeakPolarHBondContact OG-CA 3.29Å; S86-L119 WeakPolarHBondContact OG-CB 3.36Å; S86-L119 PolarHBondContact OG-N 3.04Å
87I55.9Low52.2Low3 Ų380.5 Ų80.52%0.01540%0.4CS..Hα-helixtrans-80.4-41.8-178.2-82.8172.2000113.6F63 V67 F83 Y84 S89 L90 T91 L119F63-I87 HydrophobicContact CE1-CG1 4.47Å; V67-I87 HydrophobicContact CB-CD1 4.42Å; V67-I87 HydrophobicContact CB-CG2 4.25Å; V67-I87 HydrophobicContact CG1-CD1 3.97Å; V67-I87 HydrophobicContact CG1-CG2 3.37Å; V67-I87 HydrophobicContact CG2-CD1 3.73Å; V67-I87 HydrophobicContact CG2-CG1 4.08Å; V67-I87 HydrophobicContact CG2-CG2 3.94Å; F83-I87 HydrophobicContact CD1-CD1 3.31Å; F83-I87 HydrophobicContact CD1-CG1 4.23Å; F83-I87 HydrophobicContact CE1-CD1 3.6Å; F83-I87 HydrophobicContact CG-CD1 4.38Å; F83-I87 WeakPolarHBondContact O-CB 3.41Å; F83-I87 VanDerWaalsContact O-CG1 3.25Å; F83-I87 WeakPolarHBondContact O-CG1 3.16Å; F83-I87 PolarHBondContact O-N 3.42Å; Y84-I87 PolarHBondContact O-N 2.95Å; I87-S89 PolarHBondContact O-N 3.43Å; I87-L90 CarbonylContact O-C 3.6Å; I87-L90 VanDerWaalsContact O-CA 3.3Å; I87-L90 WeakPolarHBondContact O-CA 3.08Å; I87-L90 WeakPolarHBondContact O-CB 3.26Å; I87-L90 PolarHBondContact O-N 3.28Å; I87-T91 PolarHBondContact O-N 2.74Å; I87-T91 PolarHBondContact O-OG1 2.93Å; I87-L119 HydrophobicContact CD1-CD2 4Å; I87-L119 HydrophobicContact CG1-CD2 3.43Å; I87-L119 VanDerWaalsContact CG1-CD2 3.43Å
88N55.6Low51.9Low91 Ų9179.3 Ų79.349%0.48741%0.41SS..Hα-helixtrans-61.7-32.7179.8-75.7-30.7000110.7Y84 L90 L92Y84-N88 WeakPolarHBondContact O-CB 3.4Å; Y84-N88 PolarHBondContact O-N 3.25Å; Y84-N88 PolarHBondContact O-ND2 3.24Å; N88-L90 VanDerWaalsContact C-N 3.3Å; N88-L90 PolarHBondContact O-N 2.95Å; N88-L92 PolarHBondContact O-N 3.04Å
89S54Low51.9Low57 Ų5772.9 Ų72.940%0.39940%0.4SS..Hα-helixtrans-61.1-39169.5-155.50000111.5I87 L93 I120I87-S89 PolarHBondContact O-N 3.43Å; S89-L93 PolarHBondContact O-N 3.16Å; S89-I120 VanDerWaalsContact O-CD1 3.23Å; S89-I120 WeakPolarHBondContact O-CD1 3.44Å; S89-I120 WeakPolarHBondContact OG-CD1 3.38Å
90L52.4Low51.1Low3 Ų376.7 Ų76.72%0.01642%0.416CS..Hα-helixtrans-69-48.4178.6-106.7-179.8000113.9F63 I87 N88 L92 L93 L94 L119 I120F63-L90 HydrophobicContact CD1-CB 4.2Å; F63-L90 HydrophobicContact CD1-CD1 4.24Å; F63-L90 HydrophobicContact CE1-CB 3.71Å; F63-L90 HydrophobicContact CE1-CD1 3.35Å; F63-L90 HydrophobicContact CE1-CG 4.08Å; F63-L90 HydrophobicContact CE2-CD1 3.78Å; F63-L90 HydrophobicContact CZ-CB 4.39Å; F63-L90 HydrophobicContact CZ-CD1 3.12Å; F63-L90 HydrophobicContact CZ-CG 4.28Å; I87-L90 CarbonylContact O-C 3.6Å; I87-L90 VanDerWaalsContact O-CA 3.3Å; I87-L90 WeakPolarHBondContact O-CA 3.08Å; I87-L90 WeakPolarHBondContact O-CB 3.26Å; I87-L90 PolarHBondContact O-N 3.28Å; N88-L90 VanDerWaalsContact C-N 3.3Å; N88-L90 PolarHBondContact O-N 2.95Å; L90-L92 VanDerWaalsContact C-N 3.25Å; L90-L92 PolarHBondContact O-N 3.07Å; L90-L93 PolarHBondContact O-N 3.43Å; L90-L94 HydrophobicContact CD2-CD1 3.86Å; L90-L94 HydrophobicContact CD2-CG 4.45Å; L90-L94 WeakPolarHBondContact O-CB 3.43Å; L90-L94 WeakPolarHBondContact O-CD1 3.23Å; L90-L94 PolarHBondContact O-N 2.74Å; L90-L119 VanDerWaalsContact CD1-C 3.49Å; L90-L119 HydrophobicContact CD1-CB 3.73Å; L90-L119 HydrophobicContact CD1-CD2 3.96Å; L90-L119 HydrophobicContact CD1-CG 3.47Å; L90-L119 VanDerWaalsContact CD1-CG 3.47Å; L90-I120 VanDerWaalsContact CA-CG1 3.47Å; L90-I120 HydrophobicContact CB-CG1 3.84Å; L90-I120 VanDerWaalsContact CD2-CA 3.46Å; L90-I120 HydrophobicContact CD2-CB 3.8Å; L90-I120 HydrophobicContact CD2-CG1 3.59Å; L90-I120 HydrophobicContact CD2-CG2 3.92Å; L90-I120 VanDerWaalsContact CG-CA 3.44Å; L90-I120 HydrophobicContact CG-CB 3.85Å; L90-I120 HydrophobicContact CG-CG1 3.3Å
91T52.4Low50.5Low32 Ų3287.5 Ų87.520%0.19646%0.456CS..Hα-helixtrans-53.9-49177.1-63.90000109.7E64 I87 L93 L94 T95E64-T91 HydrophobicContact CG-CG2 3.83Å; E64-T91 WeakPolarHBondContact OE1-CG2 3.35Å; I87-T91 PolarHBondContact O-N 2.74Å; I87-T91 PolarHBondContact O-OG1 2.93Å; T91-L93 VanDerWaalsContact C-N 3.31Å; T91-L93 PolarHBondContact O-N 3.36Å; T91-L94 PolarHBondContact O-N 2.88Å; T91-T95 PolarHBondContact O-N 2.77Å; T91-T95 PolarHBondContact O-OG1 3.39Å
92L56.5Low50.1Low138 Ų13885.4 Ų85.472%0.72346%0.458SS*.Hα-helixtrans-61.7-33.9-179.1-153.3121.3000113.7N88 L90N88-L92 PolarHBondContact O-N 3.04Å; L90-L92 VanDerWaalsContact C-N 3.25Å; L90-L92 PolarHBondContact O-N 3.07Å
93L52.4Low49.4Very low79 Ų7983.9 Ų83.941%0.41446%0.464SS..Hα-helixtrans-83.1-31.1-179.4-166.2137000112.6S89 L90 T91 D96 L97 I120S89-L93 PolarHBondContact O-N 3.16Å; L90-L93 PolarHBondContact O-N 3.43Å; T91-L93 VanDerWaalsContact C-N 3.31Å; T91-L93 PolarHBondContact O-N 3.36Å; L93-D96 PolarHBondContact O-N 3.3Å; L93-L97 WeakPolarHBondContact O-CB 3.27Å; L93-L97 PolarHBondContact O-N 3.16Å; L93-I120 HydrophobicContact CB-CD1 4.4Å; L93-I120 HydrophobicContact CD1-CD1 4.33Å; L93-I120 HydrophobicContact CD1-CG2 4.3Å; L93-I120 HydrophobicContact CD2-CG2 4.16Å
94L51.1Low48.6Very low38 Ų3891.9 Ų91.920%0.19950%0.499CS..Hα-helixtrans-74.7-31.2175-78.1155.7000112.3Y51 F63 L90 T91 D96 L97 G98Y51-L94 WeakPolarHBondContact OH-CD2 3.32Å; F63-L94 HydrophobicContact CB-CD1 3.53Å; F63-L94 HydrophobicContact CD1-CD1 3.82Å; F63-L94 HydrophobicContact CD2-CD1 4.33Å; F63-L94 HydrophobicContact CG-CD1 3.62Å; L90-L94 HydrophobicContact CD2-CD1 3.86Å; L90-L94 HydrophobicContact CD2-CG 4.45Å; L90-L94 WeakPolarHBondContact O-CB 3.43Å; L90-L94 WeakPolarHBondContact O-CD1 3.23Å; L90-L94 PolarHBondContact O-N 2.74Å; T91-L94 PolarHBondContact O-N 2.88Å; L94-D96 PolarHBondContact O-N 2.86Å; L94-L97 PolarHBondContact O-N 3.29Å; L94-G98 PolarHBondContact O-N 3.42Å
95T49.9Very low47.7Very low95 Ų9594.1 Ų94.158%0.58352%0.522SS*.Hα-helixtrans-64.4-32.8170.3-9.50000111.6T91T91-T95 PolarHBondContact O-N 2.77Å; T91-T95 PolarHBondContact O-OG1 3.39Å
96D43.7Very low46.8Very low126 Ų12691.9 Ų91.967%0.67453%0.528SS*.Hα-helixtrans-76.8-40.4176.4-167.544.8000112.2L93 L94 G98 S99L93-D96 PolarHBondContact O-N 3.3Å; L94-D96 PolarHBondContact O-N 2.86Å; D96-G98 VanDerWaalsContact C-N 3.26Å; D96-G98 PolarHBondContact O-N 3.49Å; D96-S99 PolarHBondContact O-N 2.98Å
97L48.5Very low46.4Very low106 Ų10697.7 Ų97.756%0.55557%0.565SS**Hα-helixtrans-73.8-15.7178.4-150.173.9000113.7L93 L94 S99L93-L97 WeakPolarHBondContact O-CB 3.27Å; L93-L97 PolarHBondContact O-N 3.16Å; L94-L97 PolarHBondContact O-N 3.29Å; L97-S99 PolarHBondContact O-N 3.38Å
98G40.3Very low45.5Very low72 Ų72105.8 Ų105.874%0.74260%0.603SS**THydrogen-bonded Turntrans-66.8-10.7175.800000114.7L94 D96L94-G98 PolarHBondContact O-N 3.42Å; D96-G98 VanDerWaalsContact C-N 3.26Å; D96-G98 PolarHBondContact O-N 3.49Å
99S43.5Very low45.1Very low93 Ų93110.4 Ų110.465%0.6562%0.622SS**THydrogen-bonded Turntrans-110.4-6.9-175.8-1620000115.7D96 L97D96-S99 PolarHBondContact O-N 2.98Å; L97-S99 PolarHBondContact O-N 3.38Å
100H34.3Very low44.3Very low145 Ų145113.6 Ų113.667%0.67163%0.634SS**  trans-136.9105.6180-80.4-82.6000112.9A102H100-A102 PolarHBondContact O-N 2.87Å
101R41.8Very low43.5Very low247 Ų247117.4 Ų117.493%0.93266%0.661SS**SBendtrans-63.4119.3148.8-172.6179.3-175.6-175.90.7106.7
102A42.7Very low42.9Very low84 Ų84119.6 Ų119.669%0.69468%0.683SS**SBendtrans96.8136.5173.800000117.5H100H100-A102 PolarHBondContact O-N 2.87Å
103A36.6Very low42.1Very low95 Ų95120.9 Ų120.979%0.78569%0.685SS**  trans81.298.9171.300000117.6
104F40.4Very low41.8Very low174 Ų174122.6 Ų122.676%0.76370%0.695SS**PPolyproline II helixtrans-70.2134.2163.1-65.8-88000110
105P38.9Very low41.6Very low120 Ų120125.9 Ų125.978%0.77971%0.707SS**PPolyproline II helixtrans-75.3137170.9-4.921.5000110.6
106T37Very low41.3Very low126 Ų126129.8 Ų129.877%0.77371%0.711SS**PPolyproline II helixtrans-55.4152.3169.55.30000112E108T106-E108 PolarHBondContact O-N 2.84Å
107P46.8Very low41.7Very low127 Ų127125.9 Ų125.983%0.82570%0.701SS**  trans-80.1102.9-172.931.1-29.2000110.7
108E37.5Very low42.7Very low174 Ų174121.8 Ų121.881%0.81368%0.681SS**  trans-87.2130.9165.1-75.8-169172.400111.6T106 N110T106-E108 PolarHBondContact O-N 2.84Å; E108-N110 PolarHBondContact O-N 3.15Å
109E47.2Very low44.4Very low188 Ų188118.4 Ų118.488%0.87965%0.646SS**  trans-53.6120.5-177.7-64.6177.2150.800111.8
110N36.2Very low45.8Very low123 Ų123115.4 Ų115.466%0.65862%0.622SS**  trans-157.7113.3163.7-92-51.4000108.2E108 K115E108-N110 PolarHBondContact O-N 3.15Å; N110-K115 WeakPolarHBondContact O-CD 3.14Å; N110-K115 WeakPolarHBondContact O-CE 3.3Å; N110-K115 PolarHBondContact O-NZ 3.35Å
111S34.9Very low47.8Very low83 Ų83112 Ų11258%0.5861%0.609SS**  trans38.3109.8167-1720000118.7
112A40Very low49.8Very low78 Ų78100.2 Ų100.265%0.64557%0.565SS**THydrogen-bonded Turntrans-82-15.7-167.800000115.8
113E41.2Very low51.7Low165 Ų16598.1 Ų98.177%0.77154%0.539SS*.THydrogen-bonded Turntrans-87-32.7-177.4-77.280.9-153.700114.7
114D45.9Very low53.9Low115 Ų11597.8 Ų97.862%0.61552%0.521SS*.THydrogen-bonded Turntrans-88.9-15.9-176.7-92.5-47.4000114.2R85R85-D114 IonicContact NH2-OD1 2.95Å; R85-D114 PolarHBondContact NH2-OD1 3.09Å
115K45.6Very low56.1Low107 Ų10792.9 Ų92.947%0.46550%0.503SS..SBendtrans-89.8-11.7-177.1-71-175.8177.5176.10114.7N110 G117 N121N110-K115 WeakPolarHBondContact O-CD 3.14Å; N110-K115 WeakPolarHBondContact O-CE 3.3Å; N110-K115 PolarHBondContact O-NZ 3.35Å; K115-G117 PolarHBondContact O-N 3.48Å; K115-N121 PolarHBondContact O-ND2 3.4Å
116R43.7Very low58.4Low177 Ų17787.2 Ų87.267%0.66847%0.466SS*.THydrogen-bonded Turntrans-71.1-16.7-177.8-149.3169.7-176.2-96.11112.9R40R40-R116 PolarHBondContact NH1-O 3.17Å; R40-R116 PolarHBondContact NH2-O 3.42Å
117G52.8Low60.8Low44 Ų4482 Ų8245%0.45443%0.434SS..THydrogen-bonded Turntrans-111.6-1.2-16900000117.7S86 K115S86-G117 PolarHBondContact OG-O 3.44Å; S86-G117 VanDerWaalsContact OG-O 3.13Å; K115-G117 PolarHBondContact O-N 3.48Å
118S70.3Confident62.7Low21 Ų2180.5 Ų80.515%0.14742%0.418CS..  trans-77.3139.3-178.4-172.10000112.1S86 I120 N121 F122S86-S118 PolarHBondContact O-OG 3.38Å; S86-S118 VanDerWaalsContact OG-C 3.29Å; S86-S118 VanDerWaalsContact OG-CA 3.26Å; S86-S118 WeakPolarHBondContact OG-CA 3.29Å; S118-I120 PolarHBondContact O-N 2.49Å; S118-I120 WeakPolarHBondContact OG-CG1 3.45Å; S118-N121 PolarHBondContact O-N 3.32Å; S118-N121 VanDerWaalsContact O-N 3.08Å; S118-F122 PolarHBondContact O-N 3.16Å
119L74.5Confident65Low0 Ų077.1 Ų77.10%040%0.401CS..Hα-helixtrans-65.3-22.5-179.7-176.253.3000109.2H44 F63 F83 S86 I87 L90 F122 Y123H44-L119 HydrophobicContact CB-CD1 3.78Å; H44-L119 VanDerWaalsContact CD2-CD1 3.47Å; H44-L119 WeakPolarHBondContact CD2-CD1 3.43Å; F63-L119 HydrophobicContact CZ-CD2 3.84Å; F63-L119 HydrophobicContact CZ-CG 4.35Å; F83-L119 HydrophobicContact CE1-CD2 4.24Å; F83-L119 HydrophobicContact CZ-CD2 4.41Å; S86-L119 WeakPolarHBondContact OG-CB 3.36Å; S86-L119 PolarHBondContact OG-N 3.04Å; I87-L119 HydrophobicContact CD1-CD2 4Å; I87-L119 HydrophobicContact CG1-CD2 3.43Å; I87-L119 VanDerWaalsContact CG1-CD2 3.43Å; L90-L119 VanDerWaalsContact CD1-C 3.49Å; L90-L119 HydrophobicContact CD1-CB 3.73Å; L90-L119 HydrophobicContact CD1-CD2 3.96Å; L90-L119 HydrophobicContact CD1-CG 3.47Å; L90-L119 VanDerWaalsContact CD1-CG 3.47Å; L119-F122 HydrophobicContact CD1-CB 4.28Å; L119-F122 HydrophobicContact CD1-CD1 3.84Å; L119-F122 HydrophobicContact CD1-CG 4.42Å; L119-Y123 VanDerWaalsContact O-CB 3.29Å; L119-Y123 WeakPolarHBondContact O-CB 3.45Å; L119-Y123 PolarHBondContact O-N 3.46Å
120I73.7Confident66.9Low30 Ų3068.1 Ų68.115%0.15436%0.359CS..Hα-helixtrans-59.3-57.8169.8-50.2170.7000110.4S89 L90 L93 S118 F122 Y123 H124S89-I120 VanDerWaalsContact O-CD1 3.23Å; S89-I120 WeakPolarHBondContact O-CD1 3.44Å; S89-I120 WeakPolarHBondContact OG-CD1 3.38Å; L90-I120 VanDerWaalsContact CA-CG1 3.47Å; L90-I120 HydrophobicContact CB-CG1 3.84Å; L90-I120 VanDerWaalsContact CD2-CA 3.46Å; L90-I120 HydrophobicContact CD2-CB 3.8Å; L90-I120 HydrophobicContact CD2-CG1 3.59Å; L90-I120 HydrophobicContact CD2-CG2 3.92Å; L90-I120 VanDerWaalsContact CG-CA 3.44Å; L90-I120 HydrophobicContact CG-CB 3.85Å; L90-I120 HydrophobicContact CG-CG1 3.3Å; L93-I120 HydrophobicContact CB-CD1 4.4Å; L93-I120 HydrophobicContact CD1-CD1 4.33Å; L93-I120 HydrophobicContact CD1-CG2 4.3Å; L93-I120 HydrophobicContact CD2-CG2 4.16Å; S118-I120 PolarHBondContact O-N 2.49Å; S118-I120 WeakPolarHBondContact OG-CG1 3.45Å; I120-F122 PolarHBondContact O-N 2.94Å; I120-Y123 PolarHBondContact O-N 2.99Å; I120-H124 PolarHBondContact O-N 2.8Å
121N76.4Confident69.3Low73 Ų7366.7 Ų66.739%0.3935%0.348SS..Hα-helixtrans-67.5-34-173.5-167.323.7000109.3K115 S118 L125K115-N121 PolarHBondContact O-ND2 3.4Å; S118-N121 PolarHBondContact O-N 3.32Å; S118-N121 VanDerWaalsContact O-N 3.08Å; N121-L125 WeakPolarHBondContact O-CB 3.42Å; N121-L125 PolarHBondContact O-N 3.11Å
122F82.8Confident71.6Confident0 Ų066.4 Ų66.40%034%0.344CS..Hα-helixtrans-60.9-50.9168.6-178.3-99.8000112.3L36 R40 H44 P45 S48 S118 L119 I120 H124 L125 Y126L36-F122 HydrophobicContact CB-CE2 4.32Å; L36-F122 VanDerWaalsContact O-CE2 3.31Å; L36-F122 WeakPolarHBondContact O-CE2 3.33Å; R40-F122 HydrophobicContact CG-CD2 4.42Å; R40-F122 HydrophobicContact CG-CE2 4.46Å; H44-F122 HydrophobicContact CB-CD1 3.7Å; H44-F122 HydrophobicContact CB-CE1 3.67Å; H44-F122 HydrophobicContact CB-CG 4.15Å; H44-F122 HydrophobicContact CB-CZ 4.1Å; H44-F122 WeakPolarHBondContact O-CE1 3.33Å; P45-F122 HydrophobicContact CB-CE1 4.4Å; P45-F122 HydrophobicContact CB-CZ 4.07Å; S48-F122 WeakPolarHBondContact OG-CD1 3.32Å; S48-F122 WeakPolarHBondContact OG-CE1 3.42Å; S118-F122 PolarHBondContact O-N 3.16Å; L119-F122 HydrophobicContact CD1-CB 4.28Å; L119-F122 HydrophobicContact CD1-CD1 3.84Å; L119-F122 HydrophobicContact CD1-CG 4.42Å; I120-F122 PolarHBondContact O-N 2.94Å; F122-H124 VanDerWaalsContact C-N 3.3Å; F122-H124 PolarHBondContact O-N 3.38Å; F122-L125 PolarHBondContact O-N 3.19Å; F122-Y126 AromaticContact CE1-CD2 3.84Å; F122-Y126 HydrophobicContact CE1-CD2 3.84Å; F122-Y126 HydrophobicContact CE1-CG 4.21Å; F122-Y126 AromaticContact CZ-CD2 3.74Å; F122-Y126 HydrophobicContact CZ-CD2 3.74Å; F122-Y126 HydrophobicContact CZ-CG 4.45Å; F122-Y126 WeakPolarHBondContact O-CB 3.38Å; F122-Y126 PolarHBondContact O-N 3.1Å
123Y84.1Confident73.8Confident40 Ų4064 Ų6416%0.15732%0.319CS..Hα-helixtrans-60.9-41.6-179.6174.8-106.9000111.1Y51 L119 I120 Y126 S127Y51-Y123 HydrophobicContact CD1-CD2 4.13Å; Y51-Y123 HydrophobicContact CD1-CE1 4.02Å; Y51-Y123 AromaticContact CD1-CE2 3.41Å; Y51-Y123 HydrophobicContact CD1-CE2 3.41Å; Y51-Y123 VanDerWaalsContact CD1-CE2 3.41Å; Y51-Y123 AromaticContact CD1-CZ 3.33Å; Y51-Y123 WeakPolarHBondContact CD1-OH 3.38Å; Y51-Y123 AromaticContact CE1-CE1 3.71Å; Y51-Y123 HydrophobicContact CE1-CE1 3.71Å; Y51-Y123 AromaticContact CE1-CE2 3.98Å; Y51-Y123 HydrophobicContact CE1-CE2 3.98Å; Y51-Y123 AromaticContact CE1-CZ 3.39Å; Y51-Y123 VanDerWaalsContact CE1-OH 3.27Å; Y51-Y123 WeakPolarHBondContact CE1-OH 3.29Å; L119-Y123 VanDerWaalsContact O-CB 3.29Å; L119-Y123 WeakPolarHBondContact O-CB 3.45Å; L119-Y123 PolarHBondContact O-N 3.46Å; I120-Y123 PolarHBondContact O-N 2.99Å; Y123-Y126 CarbonylContact O-C 3.56Å; Y123-Y126 PolarHBondContact O-N 3.1Å; Y123-S127 VanDerWaalsContact O-CB 3.32Å; Y123-S127 WeakPolarHBondContact O-CB 3.35Å; Y123-S127 PolarHBondContact O-N 3Å; Y123-S127 PolarHBondContact O-OG 3.27Å
124H83Confident75.8Confident89 Ų8956.2 Ų56.241%0.41228%0.284SS..Hα-helixtrans-59.9-47.6175.6-177.470.8000112I120 F122 Y126 S127 I128I120-H124 PolarHBondContact O-N 2.8Å; F122-H124 VanDerWaalsContact C-N 3.3Å; F122-H124 PolarHBondContact O-N 3.38Å; H124-Y126 VanDerWaalsContact C-N 3.32Å; H124-Y126 PolarHBondContact O-N 3.48Å; H124-S127 PolarHBondContact O-N 3.27Å; H124-S127 PolarHBondContact O-OG 2.78Å; H124-I128 WeakPolarHBondContact NE2-CD1 3.24Å; H124-I128 VanDerWaalsContact O-CG1 3.3Å; H124-I128 WeakPolarHBondContact O-CG1 3.42Å; H124-I128 PolarHBondContact O-N 3.39Å; H124-I128 VanDerWaalsContact O-N 3.1Å
125L86.2Confident77.6Confident71 Ų7155.1 Ų55.137%0.37228%0.275SS..Hα-helixtrans-63.3-40.7175.4-177.965.8000111.8L36 N121 F122 K129L36-L125 HydrophobicContact CD2-CD2 3.85Å; L36-L125 HydrophobicContact CD2-CG 3.79Å; N121-L125 WeakPolarHBondContact O-CB 3.42Å; N121-L125 PolarHBondContact O-N 3.11Å; F122-L125 PolarHBondContact O-N 3.19Å; L125-K129 WeakPolarHBondContact O-CG 3.48Å; L125-K129 PolarHBondContact O-N 3.34Å
126Y86.9Confident79.4Confident0 Ų054.1 Ų54.10%027%0.27CS..Hα-helixtrans-66-44178.8-173.1-83.8000111S29 L36 P45 S48 A49 I52 F122 Y123 H124 K129 M130S29-Y126 WeakPolarHBondContact CB-OH 3.47Å; L36-Y126 HydrophobicContact CD1-CD2 3.88Å; L36-Y126 HydrophobicContact CD1-CE2 4.33Å; P45-Y126 HydrophobicContact CB-CE2 4.05Å; S48-Y126 VanDerWaalsContact CB-CD1 3.49Å; A49-Y126 WeakPolarHBondContact CB-OH 3.15Å; I52-Y126 HydrophobicContact CG2-CE1 4.03Å; F122-Y126 AromaticContact CE1-CD2 3.84Å; F122-Y126 HydrophobicContact CE1-CD2 3.84Å; F122-Y126 HydrophobicContact CE1-CG 4.21Å; F122-Y126 AromaticContact CZ-CD2 3.74Å; F122-Y126 HydrophobicContact CZ-CD2 3.74Å; F122-Y126 HydrophobicContact CZ-CG 4.45Å; F122-Y126 WeakPolarHBondContact O-CB 3.38Å; F122-Y126 PolarHBondContact O-N 3.1Å; Y123-Y126 CarbonylContact O-C 3.56Å; Y123-Y126 PolarHBondContact O-N 3.1Å; H124-Y126 VanDerWaalsContact C-N 3.32Å; H124-Y126 PolarHBondContact O-N 3.48Å; Y126-K129 PolarHBondContact O-N 3.03Å; Y126-M130 HydrophobicContact CD1-CB 4.04Å; Y126-M130 HydrophobicContact CD1-CG 3.94Å; Y126-M130 HydrophobicContact CD2-CG 4.27Å; Y126-M130 HydrophobicContact CE1-CB 3.74Å; Y126-M130 HydrophobicContact CE1-CG 3.6Å; Y126-M130 HydrophobicContact CE2-CG 3.94Å; Y126-M130 HydrophobicContact CG-CG 4.26Å; Y126-M130 VanDerWaalsContact O-CB 3.29Å; Y126-M130 WeakPolarHBondContact O-CB 3.31Å; Y126-M130 WeakPolarHBondContact O-CG 3.38Å; Y126-M130 PolarHBondContact O-N 3.46Å
127S86.3Confident80.9Confident16 Ų1646 Ų4611%0.11224%0.24CC..Hα-helixtrans-64.2-44.1179.869.20000110.4Y123 H124 K129 M130 Q131Y123-S127 VanDerWaalsContact O-CB 3.32Å; Y123-S127 WeakPolarHBondContact O-CB 3.35Å; Y123-S127 PolarHBondContact O-N 3Å; Y123-S127 PolarHBondContact O-OG 3.27Å; H124-S127 PolarHBondContact O-N 3.27Å; H124-S127 PolarHBondContact O-OG 2.78Å; S127-K129 PolarHBondContact O-N 3.43Å; S127-M130 PolarHBondContact O-N 3.35Å; S127-Q131 WeakPolarHBondContact O-CA 3.39Å; S127-Q131 WeakPolarHBondContact O-CB 3.44Å; S127-Q131 PolarHBondContact O-N 2.81Å
128I86.7Confident81.7Confident96 Ų9646 Ų4649%0.49224%0.235SC..Hα-helixtrans-56.5-40.4175.9-69.3165.9000111.6H124H124-I128 WeakPolarHBondContact NE2-CD1 3.24Å; H124-I128 VanDerWaalsContact O-CG1 3.3Å; H124-I128 WeakPolarHBondContact O-CG1 3.42Å; H124-I128 PolarHBondContact O-N 3.39Å; H124-I128 VanDerWaalsContact O-N 3.1Å
129K86.5Confident81.4Confident103 Ų10350 Ų5045%0.44825%0.252SS..Hα-helixtrans-80.2-40.5-177.8-66.6-63.4-176.3-176.10113.1L36 L125 Y126 S127L36-K129 HydrophobicContact CD1-CB 4.26Å; L36-K129 HydrophobicContact CD2-CG 4.47Å; L125-K129 WeakPolarHBondContact O-CG 3.48Å; L125-K129 PolarHBondContact O-N 3.34Å; Y126-K129 PolarHBondContact O-N 3.03Å; S127-K129 PolarHBondContact O-N 3.43Å
130M87.8Confident80.4Confident0 Ų055.1 Ų55.10%028%0.283CS..Hα-helixtrans-98-13.9-169.9-64.1-59.6-61.100113.8C25 H33 I52 Y126 S127 F133 A134C25-M130 WeakPolarHBondContact O-CE 3.42Å; H33-M130 PolarHBondContact CD2-SD 3.32Å; I52-M130 HydrophobicContact CD1-CB 3.81Å; Y126-M130 HydrophobicContact CD1-CB 4.04Å; Y126-M130 HydrophobicContact CD1-CG 3.94Å; Y126-M130 HydrophobicContact CD2-CG 4.27Å; Y126-M130 HydrophobicContact CE1-CB 3.74Å; Y126-M130 HydrophobicContact CE1-CG 3.6Å; Y126-M130 HydrophobicContact CE2-CG 3.94Å; Y126-M130 HydrophobicContact CG-CG 4.26Å; Y126-M130 VanDerWaalsContact O-CB 3.29Å; Y126-M130 WeakPolarHBondContact O-CB 3.31Å; Y126-M130 WeakPolarHBondContact O-CG 3.38Å; Y126-M130 PolarHBondContact O-N 3.46Å; S127-M130 PolarHBondContact O-N 3.35Å; M130-F133 HydrophobicContact CE-CB 4.32Å; M130-F133 HydrophobicContact CE-CD1 3.8Å; M130-F133 HydrophobicContact CE-CE1 4.5Å; M130-F133 HydrophobicContact CE-CG 4.25Å; M130-F133 CarbonylContact O-C 3.58Å; M130-F133 WeakPolarHBondContact O-CB 3.48Å; M130-F133 PolarHBondContact O-N 3.3Å; M130-F133 VanDerWaalsContact O-N 3.12Å; M130-A134 WeakPolarHBondContact O-CB 3.16Å; M130-A134 PolarHBondContact O-N 3.11Å
131Q85.7Confident79Confident92 Ų9264.2 Ų64.243%0.4332%0.317SS..Hα-helixtrans-54.6-48.1176.5179.1172.3-4.700114I52 S127 F133 A134 E135I52-Q131 HydrophobicContact CD1-CB 4.43Å; S127-Q131 WeakPolarHBondContact O-CA 3.39Å; S127-Q131 WeakPolarHBondContact O-CB 3.44Å; S127-Q131 PolarHBondContact O-N 2.81Å; Q131-F133 PolarHBondContact O-N 2.85Å; Q131-F133 VanDerWaalsContact O-N 3.16Å; Q131-A134 PolarHBondContact O-N 3.37Å; Q131-A134 VanDerWaalsContact O-N 3.08Å; Q131-E135 HydrophobicContact CG-CG 4.23Å; Q131-E135 VanDerWaalsContact CG-OE1 3.26Å; Q131-E135 WeakPolarHBondContact CG-OE1 3.29Å; Q131-E135 PolarHBondContact NE2-OE1 2.95Å; Q131-E135 WeakPolarHBondContact O-CG 2.78Å; Q131-E135 PolarHBondContact O-N 3.39Å
132P83.9Confident77.6Confident77 Ų7765 Ų6550%0.534%0.343SS..Hα-helixtrans-64.7-23178.826.2-36.1000112.9K136P132-K136 WeakPolarHBondContact O-CG 3.28Å
133F85.5Confident76Confident28 Ų2866.3 Ų66.312%0.12336%0.356CS..Hα-helixtrans-81.5-41.9172.8-174.5-98.1000111.4T24 C25 M130 Q131 K136 F137 P146T24-F133 HydrophobicContact CG2-CZ 4.23Å; C25-F133 HydrophobicContact CB-CE1 4.32Å; M130-F133 HydrophobicContact CE-CB 4.32Å; M130-F133 HydrophobicContact CE-CD1 3.8Å; M130-F133 HydrophobicContact CE-CE1 4.5Å; M130-F133 HydrophobicContact CE-CG 4.25Å; M130-F133 CarbonylContact O-C 3.58Å; M130-F133 WeakPolarHBondContact O-CB 3.48Å; M130-F133 PolarHBondContact O-N 3.3Å; M130-F133 VanDerWaalsContact O-N 3.12Å; Q131-F133 PolarHBondContact O-N 2.85Å; Q131-F133 VanDerWaalsContact O-N 3.16Å; F133-K136 WeakPolarHBondContact O-CB 2.97Å; F133-K136 PolarHBondContact O-N 3.37Å; F133-F137 AromaticContact CD1-CE2 3.68Å; F133-F137 HydrophobicContact CD1-CE2 3.68Å; F133-F137 HydrophobicContact CD1-CZ 4.43Å; F133-F137 AromaticContact CE1-CE2 3.31Å; F133-F137 HydrophobicContact CE1-CE2 3.31Å; F133-F137 AromaticContact CE1-CZ 3.64Å; F133-F137 HydrophobicContact CE1-CZ 3.64Å; F133-F137 AromaticContact CZ-CE2 3.93Å; F133-F137 HydrophobicContact CZ-CE2 3.93Å; F133-F137 AromaticContact CZ-CZ 3.85Å; F133-F137 HydrophobicContact CZ-CZ 3.85Å; F133-F137 WeakPolarHBondContact O-CD2 3.29Å; F133-P146 HydrophobicContact CD2-CG 4.25Å; F133-P146 HydrophobicContact CE2-CB 3.84Å; F133-P146 HydrophobicContact CE2-CG 3.58Å; F133-P146 HydrophobicContact CZ-CB 3.93Å; F133-P146 HydrophobicContact CZ-CG 3.88Å
134A84.6Confident74.2Confident2 Ų272.6 Ų72.62%0.01739%0.387CS..Hα-helixtrans-65.5-39.5-179.200000112.5I52 I53 A56 M130 Q131 K136 F137I52-A134 HydrophobicContact CD1-CB 3.89Å; I52-A134 HydrophobicContact CG1-CB 3.84Å; I52-A134 HydrophobicContact CG2-CB 4.29Å; I53-A134 HydrophobicContact CD1-CB 4.04Å; A56-A134 HydrophobicContact CB-CB 4.22Å; M130-A134 WeakPolarHBondContact O-CB 3.16Å; M130-A134 PolarHBondContact O-N 3.11Å; Q131-A134 PolarHBondContact O-N 3.37Å; Q131-A134 VanDerWaalsContact O-N 3.08Å; A134-K136 PolarHBondContact O-N 3.41Å; A134-F137 WeakPolarHBondContact O-CB 3.38Å; A134-F137 PolarHBondContact O-N 2.83Å
135E82.9Confident72.7Confident92 Ų9272.2 Ų72.243%0.4339%0.391SS..G310 helixtrans-61.5-26.9178-74.4175.4-174.700112.8Q131 F137 A138 Q139Q131-E135 HydrophobicContact CG-CG 4.23Å; Q131-E135 VanDerWaalsContact CG-OE1 3.26Å; Q131-E135 WeakPolarHBondContact CG-OE1 3.29Å; Q131-E135 PolarHBondContact NE2-OE1 2.95Å; Q131-E135 WeakPolarHBondContact O-CG 2.78Å; Q131-E135 PolarHBondContact O-N 3.39Å; E135-F137 PolarHBondContact O-N 3.46Å; E135-A138 WeakPolarHBondContact O-CB 3.24Å; E135-A138 PolarHBondContact O-N 2.97Å; E135-Q139 PolarHBondContact O-N 3.5Å
136K82.4Confident71.5Confident85 Ų8569.7 Ų69.737%0.3738%0.379SS..G310 helixtrans-62.7-25.6174-59.2-177.3178.5-166.40112.7P132 F133 A134 P146P132-K136 WeakPolarHBondContact O-CG 3.28Å; F133-K136 WeakPolarHBondContact O-CB 2.97Å; F133-K136 PolarHBondContact O-N 3.37Å; A134-K136 PolarHBondContact O-N 3.41Å; K136-P146 HydrophobicContact CB-CG 4.32Å; K136-P146 HydrophobicContact CD-CG 4Å
137F76Confident70.4Confident6 Ų675.3 Ų75.33%0.02642%0.415CS..G310 helixtrans-85.6-11.6176-60.3-74.8000113.9K21 T24 I53 F133 A134 E135 T145 P146K21-F137 HydrophobicContact CB-CD1 4.16Å; K21-F137 HydrophobicContact CB-CG 4.4Å; K21-F137 HydrophobicContact CD-CB 4.2Å; K21-F137 HydrophobicContact CD-CD1 4.24Å; K21-F137 HydrophobicContact CG-CB 4.49Å; K21-F137 HydrophobicContact CG-CD1 3.73Å; K21-F137 HydrophobicContact CG-CE1 4.29Å; K21-F137 HydrophobicContact CG-CG 4.29Å; T24-F137 HydrophobicContact CG2-CE1 4.42Å; T24-F137 HydrophobicContact CG2-CZ 3.92Å; I53-F137 HydrophobicContact CD1-CD2 3.61Å; I53-F137 HydrophobicContact CD1-CE2 4.12Å; I53-F137 HydrophobicContact CD1-CG 4.32Å; F133-F137 AromaticContact CD1-CE2 3.68Å; F133-F137 HydrophobicContact CD1-CE2 3.68Å; F133-F137 HydrophobicContact CD1-CZ 4.43Å; F133-F137 AromaticContact CE1-CE2 3.31Å; F133-F137 HydrophobicContact CE1-CE2 3.31Å; F133-F137 AromaticContact CE1-CZ 3.64Å; F133-F137 HydrophobicContact CE1-CZ 3.64Å; F133-F137 AromaticContact CZ-CE2 3.93Å; F133-F137 HydrophobicContact CZ-CE2 3.93Å; F133-F137 AromaticContact CZ-CZ 3.85Å; F133-F137 HydrophobicContact CZ-CZ 3.85Å; F133-F137 WeakPolarHBondContact O-CD2 3.29Å; A134-F137 WeakPolarHBondContact O-CB 3.38Å; A134-F137 PolarHBondContact O-N 2.83Å; E135-F137 PolarHBondContact O-N 3.46Å; F137-T145 HydrophobicContact CD1-CG2 4.46Å; F137-P146 HydrophobicContact CE1-CG 4.42Å; F137-P146 HydrophobicContact CE2-CG 4.5Å; F137-P146 HydrophobicContact CZ-CB 4.29Å; F137-P146 HydrophobicContact CZ-CG 4.01Å
138A69.7Low69.4Low44 Ų4478.8 Ų78.836%0.36443%0.431SS..THydrogen-bonded Turntrans-85.4-23.3174.900000112.3A56 E135 T140A56-A138 WeakPolarHBondContact O-CB 3.47Å; E135-A138 WeakPolarHBondContact O-CB 3.24Å; E135-A138 PolarHBondContact O-N 2.97Å; A138-T140 PolarHBondContact O-N 2.83Å
139Q63Low68.5Low106 Ų10675.3 Ų75.350%0.49542%0.416SS..  trans-81.682.2179-66.8176.215.100110E135 Y141E135-Q139 PolarHBondContact O-N 3.5Å; Q139-Y141 PolarHBondContact O-N 2.83Å; Q139-Y141 VanDerWaalsContact O-N 3.07Å
140T55.1Low67.4Low108 Ų10875.9 Ų75.966%0.66343%0.43SS*.  trans-63.7-10.3-177.4-46.60000114.2A138A138-T140 PolarHBondContact O-N 2.83Å
141Y44.6Very low65.9Low221 Ų22178.1 Ų78.187%0.86744%0.442SS*.SBendtrans-145.3106.1178.5-72.1-87.4000112Q139Q139-Y141 PolarHBondContact O-N 2.83Å; Q139-Y141 VanDerWaalsContact O-N 3.07Å
142G46.8Very low65Low90 Ų9076.2 Ų76.293%0.92844%0.438SS*.SBendtrans108.4-3.3154.900000119.2
143G48.9Very low63.7Low26 Ų2677.7 Ų77.727%0.26845%0.447SS..SBendtrans-101.5151.6171.700000112.1T145G143-T145 PolarHBondContact O-N 3.35Å; G143-T145 PolarHBondContact O-OG1 3.07Å
144E45.5Very low62.2Low172 Ų17280.8 Ų80.880%0.80447%0.47SS*.  trans-51.992.9177.7-69.5-170.2164.700111.4P146E144-P146 WeakPolarHBondContact O-CD 2.99Å
145T51.5Low60.7Low81 Ų8188 Ų8850%0.49750%0.503SS..PPolyproline II helixtrans-71.6120173.6-54.10000106.2F137 G143F137-T145 HydrophobicContact CD1-CG2 4.46Å; G143-T145 PolarHBondContact O-N 3.35Å; G143-T145 PolarHBondContact O-OG1 3.07Å
146P60.8Low59.1Low19 Ų1987 Ų8712%0.12351%0.506CS..PPolyproline II helixtrans-54.6136.9177.3-21.831.5000109.1F133 K136 F137 E144 I148F133-P146 HydrophobicContact CD2-CG 4.25Å; F133-P146 HydrophobicContact CE2-CB 3.84Å; F133-P146 HydrophobicContact CE2-CG 3.58Å; F133-P146 HydrophobicContact CZ-CB 3.93Å; F133-P146 HydrophobicContact CZ-CG 3.88Å; K136-P146 HydrophobicContact CB-CG 4.32Å; K136-P146 HydrophobicContact CD-CG 4Å; F137-P146 HydrophobicContact CE1-CG 4.42Å; F137-P146 HydrophobicContact CE2-CG 4.5Å; F137-P146 HydrophobicContact CZ-CB 4.29Å; F137-P146 HydrophobicContact CZ-CG 4.01Å; E144-P146 WeakPolarHBondContact O-CD 2.99Å; P146-I148 PolarHBondContact O-N 3.37Å
147P64.8Low57.6Low117 Ų11790.4 Ų90.476%0.7652%0.517SS*.PPolyproline II helixtrans-54.9127.9178.223-32.5000108.8S149P147-S149 PolarHBondContact O-N 3.36Å
148I65.5Low56.4Low89 Ų8996.6 Ų96.646%0.45655%0.546SS..PPolyproline II helixtrans-65.1122.6-179.6-65.9172.9000107.7S20 P146S20-I148 WeakPolarHBondContact OG-CG2 3.48Å; P146-I148 PolarHBondContact O-N 3.37Å
149S67.1Low55.4Low24 Ų2497.3 Ų97.317%0.16855%0.548CS..PPolyproline II helixtrans-68.7136179.2-69.30000111.5T24 E27 P147 L151T24-S149 PolarHBondContact OG1-N 3.02Å; E27-S149 WeakPolarHBondContact OE2-CB 2.75Å; E27-S149 PolarHBondContact OE2-OG 3.41Å; P147-S149 PolarHBondContact O-N 3.36Å; S149-L151 PolarHBondContact O-N 2.66Å; S149-L151 VanDerWaalsContact O-N 3.09Å
150P62.8Low54.9Low115 Ų11599.5 Ų99.575%0.74755%0.553SS**PPolyproline II helixtrans-64116.7175.226.3-31.9000109.2
151L57.2Low54.9Low46 Ų46100.4 Ų100.424%0.24155%0.549CS..PPolyproline II helixtrans-59125.9173.8-172.371.6000108.1A2 R6 W23 S149A2-L151 HydrophobicContact CB-CD1 4.06Å; R6-L151 VanDerWaalsContact NH2-CD2 3.31Å; W23-L151 HydrophobicContact CB-CD1 4.06Å; W23-L151 HydrophobicContact CD2-CD1 3.51Å; W23-L151 HydrophobicContact CE3-CD1 3.92Å; W23-L151 HydrophobicContact CG-CD1 3.54Å; S149-L151 PolarHBondContact O-N 2.66Å; S149-L151 VanDerWaalsContact O-N 3.09Å
152P67Low55.2Low53 Ų5392.8 Ų92.834%0.34453%0.527SS..PPolyproline II helixtrans-57.6138.4-179.719.5-30.7000109.8A2 R6 W23A2-P152 HydrophobicContact CB-CG 3.46Å; A2-P152 VanDerWaalsContact CB-CG 3.46Å; R6-P152 PolarHBondContact NH2-O 3.26Å; W23-P152 HydrophobicContact CH2-CG 4.16Å; W23-P152 HydrophobicContact CZ2-CG 3.88Å
153P56.4Low55.5Low108 Ų10892.4 Ų92.470%0.70151%0.51SS*.PPolyproline II helixtrans-58149.1-179.123.2-32000109.6Q155P153-Q155 PolarHBondContact O-N 2.94Å; P153-Q155 VanDerWaalsContact O-N 3.15Å
154P54Low56Low92 Ų92101.7 Ų101.760%0.59754%0.543SS*.PPolyproline II helixtrans-52.4127.1171.522.1-28.6000108.4S156P154-S156 PolarHBondContact O-N 3.46Å; P154-S156 VanDerWaalsContact O-N 3.1Å
155Q53.5Low56.5Low154 Ų15498.2 Ų98.272%0.7254%0.538SS*.PPolyproline II helixtrans-56.6122174-78.2-177.5-2100107.7P153 R157P153-Q155 PolarHBondContact O-N 2.94Å; P153-Q155 VanDerWaalsContact O-N 3.15Å; Q155-R157 PolarHBondContact O-N 3.31Å
156S48.2Very low56.8Low70 Ų7098.3 Ų98.349%0.4954%0.538SS..PPolyproline II helixtrans-52.5126.3168.8-179.40000107.3P154 E158P154-S156 PolarHBondContact O-N 3.46Å; P154-S156 VanDerWaalsContact O-N 3.1Å; S156-E158 PolarHBondContact O-N 2.93Å; S156-E158 VanDerWaalsContact OG-CD 3.24Å; S156-E158 VanDerWaalsContact OG-CG 3.3Å; S156-E158 WeakPolarHBondContact OG-CG 3.25Å; S156-E158 PolarHBondContact OG-OE1 3.17Å
157R51.5Low56.7Low157 Ų157105.9 Ų105.959%0.59258%0.577SS**  trans-73.839.6176.2-72.2-170.8175.2-159.80.5111Q155 S159 P172Q155-R157 PolarHBondContact O-N 3.31Å; R157-S159 PolarHBondContact O-N 2.98Å; R157-P172 HydrophobicContact CB-CG 3.72Å; R157-P172 HydrophobicContact CG-CG 4Å
158E50.6Low56.2Low137 Ų137104.6 Ų104.664%0.6456%0.564SS**PPolyproline II helixtrans-69.2132.9178.6-88.8160.8-132.400109.5S156 Y160S156-E158 PolarHBondContact O-N 2.93Å; S156-E158 VanDerWaalsContact OG-CD 3.24Å; S156-E158 VanDerWaalsContact OG-CG 3.3Å; S156-E158 WeakPolarHBondContact OG-CG 3.25Å; S156-E158 PolarHBondContact OG-OE1 3.17Å; E158-Y160 WeakPolarHBondContact O-CD2 3.41Å; E158-Y160 PolarHBondContact O-N 3.46Å
159S49.8Very low56Low58 Ų58104.6 Ų104.641%0.40657%0.568SS.*PPolyproline II helixtrans-66.9124.2179.6-65.70000108.8R157 V170 S171R157-S159 PolarHBondContact O-N 2.98Å; S159-V170 CarbonylContact C-O 3.46Å; S159-V170 WeakPolarHBondContact CA-O 3.29Å; S159-S171 WeakPolarHBondContact OG-CB 3.3Å; S159-S171 PolarHBondContact OG-OG 3.33Å
160Y52.1Low55.8Low152 Ų152106.9 Ų106.960%0.59658%0.581SS**BIsolated β-bridgetrans-80.6127.8177.1-66.4-90.5000108.8E158 P162 V170E158-Y160 WeakPolarHBondContact O-CD2 3.41Å; E158-Y160 PolarHBondContact O-N 3.46Å; Y160-P162 WeakPolarHBondContact O-CD 3.47Å; Y160-V170 PolarHBondContact N-O 3.28Å; Y160-V170 PolarHBondContact O-N 3.41Å
161H53.8Low55.3Low128 Ų128104.7 Ų104.759%0.59357%0.568SS**  trans-102.5107.3170.9-86.2-78.3000109.5S163 T169H161-S163 PolarHBondContact O-N 2.9Å; H161-S163 VanDerWaalsContact O-N 3.09Å; H161-T169 WeakPolarHBondContact CE1-CG2 3.27Å
162P50.8Low55.2Low61 Ų61105.4 Ų105.440%0.39658%0.575SS.*  trans-78.496.7176-6.426000108.9Y160 L168 V170Y160-P162 WeakPolarHBondContact O-CD 3.47Å; P162-L168 WeakPolarHBondContact CD-O 3.37Å; P162-L168 HydrophobicContact CG-CD2 4.11Å; P162-V170 HydrophobicContact CG-CG2 4.13Å
163S53.4Low54.9Low81 Ų81108.5 Ų108.557%0.56659%0.589SS**  trans66.2148.7174.2-1700000116.8H161 S165H161-S163 PolarHBondContact O-N 2.9Å; H161-S163 VanDerWaalsContact O-N 3.09Å; S163-S165 PolarHBondContact O-N 3Å; S163-S165 PolarHBondContact OG-OG 2.87Å
164K59Low54.6Low221 Ų221107 Ų10796%0.96158%0.575SS**THydrogen-bonded Turntrans-70.9-5.4178.8-65.6-179179.1179.40114
165S57.3Low54.5Low100 Ų100109 Ų10970%0.69957%0.57SS**THydrogen-bonded Turntrans-96.7-7.6-175.156.90000114.6S163S163-S165 PolarHBondContact O-N 3Å; S163-S165 PolarHBondContact OG-OG 2.87Å
166V56.6Low54.1Low82 Ų82110.1 Ų110.150%0.49758%0.575SS.*SBendtrans-132126.6179.1-170.60000108.9L168V166-L168 HydrophobicContact CB-CB 4.43Å; V166-L168 HydrophobicContact CG1-CB 3.82Å; V166-L168 PolarHBondContact O-N 3.25Å
167N60.4Low53.9Low179 Ų179114 Ų11496%0.95759%0.586SS**  trans-73.262.6170.8-69.1-40.6000110.2
168L54.3Low53.5Low89 Ų89112.8 Ų112.847%0.46660%0.596SS.*  trans-114.6116.6177.4-174.968.4000108.6P162 V166 V170P162-L168 WeakPolarHBondContact CD-O 3.37Å; P162-L168 HydrophobicContact CG-CD2 4.11Å; V166-L168 HydrophobicContact CB-CB 4.43Å; V166-L168 HydrophobicContact CG1-CB 3.82Å; V166-L168 PolarHBondContact O-N 3.25Å; L168-V170 HydrophobicContact CG-CG2 4.42Å
169T60.2Low53.2Low89 Ų89113 Ų11355%0.54660%0.6SS.*  trans-104.1120.5172.847.50000108.9H161H161-T169 WeakPolarHBondContact CE1-CG2 3.27Å
170V62.7Low52.7Low73 Ų73120.7 Ų120.744%0.44262%0.621SS.*BIsolated β-bridgetrans-103.7105.8171.9-1760000108.2S159 Y160 P162 L168S159-V170 CarbonylContact C-O 3.46Å; S159-V170 WeakPolarHBondContact CA-O 3.29Å; Y160-V170 PolarHBondContact N-O 3.28Å; Y160-V170 PolarHBondContact O-N 3.41Å; P162-V170 HydrophobicContact CG-CG2 4.13Å; L168-V170 HydrophobicContact CG-CG2 4.42Å
171S53.2Low52.3Low68 Ų68122.5 Ų122.548%0.47663%0.634SS.*  trans-113.3140.2177.7-52.90000110.1S159 L173S159-S171 WeakPolarHBondContact OG-CB 3.3Å; S159-S171 PolarHBondContact OG-OG 3.33Å; S171-L173 PolarHBondContact O-N 2.84Å
172P55.4Low51.9Low61 Ų61120.2 Ų120.240%0.39663%0.629SS.*  trans-61.2129.5173.521.6-28000110R157 N174R157-P172 HydrophobicContact CB-CG 3.72Å; R157-P172 HydrophobicContact CG-CG 4Å; P172-N174 PolarHBondContact O-N 2.79Å
173L59.8Low51.7Low119 Ų119123.8 Ų123.862%0.62365%0.652SS**  trans-65.3106.7-174.7-176.969.2000110.8S171 R175S171-L173 PolarHBondContact O-N 2.84Å; L173-R175 HydrophobicContact CD2-CG 3.88Å; L173-R175 HydrophobicContact CG-CG 3.98Å; L173-R175 PolarHBondContact O-N 3.01Å
174N50.6Low52Low76 Ų76127.9 Ų127.941%0.40666%0.66SS.*  trans-82.6101172-167.9-2.3000109.9P172 Q176P172-N174 PolarHBondContact O-N 2.79Å; N174-Q176 VanDerWaalsContact C-N 3.28Å; N174-Q176 PolarHBondContact O-N 3.08Å; N174-Q176 PolarHBondContact OD1-N 3.24Å
175R51.7Low52Low135 Ų135125.5 Ų125.551%0.50965%0.652SS.*THydrogen-bonded Turntrans-81.11.4-179.1-73.1-167.5177.1171.1-0.2114.6Y75 L173Y75-R175 VanDerWaalsContact CE1-NH1 3.33Å; Y75-R175 VanDerWaalsContact CZ-NH1 3.32Å; Y75-R175 WeakPolarHBondContact OH-CD 3.41Å; Y75-R175 PolarHBondContact OH-NE 3.45Å; Y75-R175 PolarHBondContact OH-NH1 3.2Å; L173-R175 HydrophobicContact CD2-CG 3.88Å; L173-R175 HydrophobicContact CG-CG 3.98Å; L173-R175 PolarHBondContact O-N 3.01Å
176Q45.3Very low51.9Low177 Ų177125.7 Ų125.783%0.82765%0.649SS**THydrogen-bonded Turntrans-87.3-13173.2-83.2177.7-12.600113.5N174 V178N174-Q176 VanDerWaalsContact C-N 3.28Å; N174-Q176 PolarHBondContact O-N 3.08Å; N174-Q176 PolarHBondContact OD1-N 3.24Å; Q176-V178 PolarHBondContact O-N 3.4Å
177E43Very low51.9Low151 Ų151128.6 Ų128.671%0.70665%0.652SS**SBendtrans-74.4110.9171.2-81.8-179.6168.500109.6L179E177-L179 PolarHBondContact O-N 3.32Å; E177-L179 VanDerWaalsContact O-N 3.07Å
178V42.5Very low51.7Low132 Ų132123.5 Ų123.580%0.863%0.625SS**  trans-45.5118.1167.2177.40000107.9Q176 R180Q176-V178 PolarHBondContact O-N 3.4Å; V178-R180 VanDerWaalsContact C-N 3.29Å; V178-R180 PolarHBondContact O-N 3.16Å
179L45.1Very low51.3Low141 Ų141126.2 Ų126.274%0.73864%0.638SS**  trans-5689.4-176.3-16976.8000109.4E177 H181E177-L179 PolarHBondContact O-N 3.32Å; E177-L179 VanDerWaalsContact O-N 3.07Å; L179-H181 PolarHBondContact O-N 2.92Å
180R39.3Very low50.8Low220 Ų220125.2 Ų125.283%0.8365%0.645SS**  trans-64.4113.6174.3-72.8-137.1174.5-163.30.1107.4V178 T182V178-R180 VanDerWaalsContact C-N 3.29Å; V178-R180 PolarHBondContact O-N 3.16Å; R180-T182 VanDerWaalsContact C-N 3.32Å; R180-T182 PolarHBondContact O-N 3.03Å
181H43.2Very low50.2Low189 Ų189127.2 Ų127.288%0.87565%0.648SS**  trans-47.390.7179.7-59.8-84.2000111.4L179L179-H181 PolarHBondContact O-N 2.92Å
182T46.7Very low49.8Very low80 Ų80126.8 Ų126.849%0.49165%0.645SS.*  trans-129141.5156.851.30000105.5R180 K184R180-T182 VanDerWaalsContact C-N 3.32Å; R180-T182 PolarHBondContact O-N 3.03Å; T182-K184 PolarHBondContact O-N 3.02Å; T182-K184 WeakPolarHBondContact OG1-CE 3.34Å
183P46.2Very low49.8Very low137 Ų137127.5 Ų127.589%0.8965%0.646SS**  trans-73.275.3-176.230.5-33.5000109.4
184K59.1Low49.6Very low166 Ų166132.7 Ų132.772%0.72266%0.657SS**  trans-95.4122174-70.5-179.7-178.7178.70108T182 T186T182-K184 PolarHBondContact O-N 3.02Å; T182-K184 WeakPolarHBondContact OG1-CE 3.34Å; K184-T186 PolarHBondContact O-N 3.47Å
185H60.1Low50Low172 Ų172136.9 Ų136.980%0.79667%0.672SS**  trans-69.1113.9173.5-65-55000109.4
186T55.4Low50.4Low103 Ų103133.4 Ų133.463%0.63266%0.663SS**  trans-95.6121.5-180-54.80000110.1K184K184-T186 PolarHBondContact O-N 3.47Å
187Y56.4Low51.1Low143 Ų143129.4 Ų129.456%0.56165%0.647SS**  trans-107.6128.2174.2-179.6-119000110.1I189 I200Y187-I189 HydrophobicContact CD1-CD1 4.25Å; Y187-I189 HydrophobicContact CD1-CG1 3.67Å; Y187-I189 HydrophobicContact CE1-CB 4.38Å; Y187-I189 HydrophobicContact CE1-CD1 3.74Å; Y187-I189 HydrophobicContact CE1-CG1 3.08Å; Y187-I200 HydrophobicContact CD2-CD1 4.46Å; Y187-I200 HydrophobicContact CE2-CD1 4.42Å
188N54.8Low52.1Low72 Ų72125.2 Ų125.239%0.38563%0.634SS.*  trans-114.3104.6176.9-68.8-79.3000109.3G190N188-G190 PolarHBondContact O-N 3.27Å
189I45.6Very low53.3Low146 Ų146124.4 Ų124.475%0.74962%0.62SS**THydrogen-bonded Turntrans-69.2125.6173.2-61.3169.9000108.2Y187Y187-I189 HydrophobicContact CD1-CD1 4.25Å; Y187-I189 HydrophobicContact CD1-CG1 3.67Å; Y187-I189 HydrophobicContact CE1-CB 4.38Å; Y187-I189 HydrophobicContact CE1-CD1 3.74Å; Y187-I189 HydrophobicContact CE1-CG1 3.08Å
190G50.1Low54.2Low68 Ų68121.2 Ų121.270%0.70160%0.603SS**THydrogen-bonded Turntrans101.4-11.917600000116.1N188N188-G190 PolarHBondContact O-N 3.27Å
191K49.8Very low55.4Low115 Ų115113.9 Ų113.950%0.559%0.586SS.*  trans-121.458.2165.8-66.2-171.3-175.4-176.10109.9P74 N193P74-K191 PolarHBondContact O-NZ 3.1Å; K191-N193 PolarHBondContact O-N 3.25Å
192S46.3Very low56.6Low59 Ų59108 Ų10841%0.41356%0.56SS.*  trans-89.698.4172.1-62.60000109.1
193N55.4Low57.5Low77 Ų77107.6 Ų107.641%0.41256%0.555SS.*  trans-62.7142.8158.47256.2000107.4K191 K195 D196K191-N193 PolarHBondContact O-N 3.25Å; N193-K195 PolarHBondContact O-N 2.99Å; N193-K195 WeakPolarHBondContact OD1-CA 3.48Å; N193-K195 VanDerWaalsContact OD1-CB 3.32Å; N193-K195 WeakPolarHBondContact OD1-CB 3.41Å; N193-K195 PolarHBondContact OD1-N 2.92Å; N193-K195 VanDerWaalsContact OD1-N 3.09Å; N193-D196 PolarHBondContact ND2-OD2 3.01Å; N193-D196 PolarHBondContact O-N 3.14Å; N193-D196 VanDerWaalsContact O-N 3.15Å; N193-D196 PolarHBondContact OD1-N 3.33Å; N193-D196 PolarHBondContact OD1-OD2 3.37Å
194R54.2Low58.4Low227 Ų227104.1 Ų104.186%0.85753%0.531SS*.Hα-helixtrans-57.5-21.3-178-170.7175.8166.7-162.3-3.6113S198R194-S198 PolarHBondContact O-N 3Å
195K59.5Low58.4Low164 Ų16499.4 Ų99.471%0.71352%0.516SS*.Hα-helixtrans-74.3-32.8-179.4-55.7-178.5178.4-177.20112.4N193 S198 K199N193-K195 PolarHBondContact O-N 2.99Å; N193-K195 WeakPolarHBondContact OD1-CA 3.48Å; N193-K195 VanDerWaalsContact OD1-CB 3.32Å; N193-K195 WeakPolarHBondContact OD1-CB 3.41Å; N193-K195 PolarHBondContact OD1-N 2.92Å; N193-K195 VanDerWaalsContact OD1-N 3.09Å; K195-S198 WeakPolarHBondContact O-CB 3.43Å; K195-S198 PolarHBondContact O-N 3.03Å; K195-K199 WeakPolarHBondContact O-CG 3.37Å; K195-K199 PolarHBondContact O-N 2.93Å; K195-K199 VanDerWaalsContact O-N 3.16Å
196D59.8Low58.3Low62 Ų6298.5 Ų98.533%0.33251%0.506SS..Hα-helixtrans-78.1-28.3178.5-72.2-25.9000112.6N193 K199 I200N193-D196 PolarHBondContact ND2-OD2 3.01Å; N193-D196 PolarHBondContact O-N 3.14Å; N193-D196 VanDerWaalsContact O-N 3.15Å; N193-D196 PolarHBondContact OD1-N 3.33Å; N193-D196 PolarHBondContact OD1-OD2 3.37Å; D196-K199 PolarHBondContact O-N 3.06Å; D196-K199 IonicContact OD1-NZ 2.69Å; D196-K199 PolarHBondContact OD1-NZ 3.21Å; D196-I200 WeakPolarHBondContact O-CD1 3.32Å; D196-I200 VanDerWaalsContact O-CG1 3.23Å; D196-I200 WeakPolarHBondContact O-CG1 3.27Å; D196-I200 PolarHBondContact O-N 2.81Å
197L61.2Low58.1Low94 Ų94101.7 Ų101.749%0.49251%0.51SS..Hα-helixtrans-65.5-39.3168.4-80.4169.8000111.9I200 S201L197-I200 PolarHBondContact O-N 3.39Å; L197-S201 WeakPolarHBondContact O-CB 3.44Å; L197-S201 PolarHBondContact O-N 3.12Å
198S62.9Low57.7Low62 Ų62104.2 Ų104.243%0.43452%0.519SS..Hα-helixtrans-58.9-49.3172.8-167.30000110.3R194 K195 I200 S201 D202R194-S198 PolarHBondContact O-N 3Å; K195-S198 WeakPolarHBondContact O-CB 3.43Å; K195-S198 PolarHBondContact O-N 3.03Å; S198-I200 VanDerWaalsContact C-N 3.3Å; S198-I200 PolarHBondContact O-N 2.99Å; S198-S201 CarbonylContact O-C 3.59Å; S198-S201 WeakPolarHBondContact O-CB 3.41Å; S198-S201 PolarHBondContact O-N 3.29Å; S198-S201 VanDerWaalsContact O-N 3.16Å; S198-D202 WeakPolarHBondContact O-CB 3.29Å; S198-D202 PolarHBondContact O-N 3.39Å; S198-D202 VanDerWaalsContact O-OD2 3.1Å
199K68.1Low57Low116 Ų116107.1 Ų107.150%0.50453%0.53SS..Hα-helixtrans-59.4-38.6177.3-66.6172.3-166.6160.80112.9K195 D196 D202 I203K195-K199 WeakPolarHBondContact O-CG 3.37Å; K195-K199 PolarHBondContact O-N 2.93Å; K195-K199 VanDerWaalsContact O-N 3.16Å; D196-K199 PolarHBondContact O-N 3.06Å; D196-K199 IonicContact OD1-NZ 2.69Å; D196-K199 PolarHBondContact OD1-NZ 3.21Å; K199-D202 PolarHBondContact O-N 3.19Å; K199-I203 WeakPolarHBondContact O-CB 3.46Å; K199-I203 VanDerWaalsContact O-CD1 3.32Å; K199-I203 WeakPolarHBondContact O-CD1 3.42Å; K199-I203 WeakPolarHBondContact O-CG1 3.45Å; K199-I203 PolarHBondContact O-N 3.49Å
200I64.2Low56.8Low74 Ų74106.9 Ų106.938%0.37953%0.53SS..Hα-helixtrans-66.9-47.1176.5-68.3161.8000110.3Y187 D196 L197 S198 D202 I203 V204Y187-I200 HydrophobicContact CD2-CD1 4.46Å; Y187-I200 HydrophobicContact CE2-CD1 4.42Å; D196-I200 WeakPolarHBondContact O-CD1 3.32Å; D196-I200 VanDerWaalsContact O-CG1 3.23Å; D196-I200 WeakPolarHBondContact O-CG1 3.27Å; D196-I200 PolarHBondContact O-N 2.81Å; L197-I200 PolarHBondContact O-N 3.39Å; S198-I200 VanDerWaalsContact C-N 3.3Å; S198-I200 PolarHBondContact O-N 2.99Å; I200-D202 VanDerWaalsContact C-N 3.28Å; I200-D202 PolarHBondContact O-N 2.82Å; I200-I203 PolarHBondContact O-N 2.69Å; I200-I203 VanDerWaalsContact O-N 3.16Å; I200-V204 HydrophobicContact CG2-CG2 4.33Å; I200-V204 WeakPolarHBondContact O-CB 3.26Å; I200-V204 WeakPolarHBondContact O-CG2 3.48Å; I200-V204 PolarHBondContact O-N 3.4Å
201S64.9Low56.1Low66 Ų66109.6 Ų109.646%0.46253%0.533SS..Hα-helixtrans-55.6-48174.3-173.40000110L197 S198 I203 V204 T205L197-S201 WeakPolarHBondContact O-CB 3.44Å; L197-S201 PolarHBondContact O-N 3.12Å; S198-S201 CarbonylContact O-C 3.59Å; S198-S201 WeakPolarHBondContact O-CB 3.41Å; S198-S201 PolarHBondContact O-N 3.29Å; S198-S201 VanDerWaalsContact O-N 3.16Å; S201-I203 VanDerWaalsContact C-N 3.29Å; S201-I203 PolarHBondContact O-N 3.48Å; S201-V204 PolarHBondContact O-N 3.25Å; S201-T205 WeakPolarHBondContact O-CB 2.94Å; S201-T205 VanDerWaalsContact O-CG2 3.29Å; S201-T205 WeakPolarHBondContact O-CG2 3.4Å; S201-T205 PolarHBondContact O-N 3.38Å; S201-T205 PolarHBondContact O-OG1 3.16Å
202D68.2Low55.3Low65 Ų65112.7 Ų112.735%0.34855%0.547SS..Hα-helixtrans-63.3-30.2178.9-62.7-23.7000113.3S198 K199 I200 T205 R206S198-D202 WeakPolarHBondContact O-CB 3.29Å; S198-D202 PolarHBondContact O-N 3.39Å; S198-D202 VanDerWaalsContact O-OD2 3.1Å; K199-D202 PolarHBondContact O-N 3.19Å; I200-D202 VanDerWaalsContact C-N 3.28Å; I200-D202 PolarHBondContact O-N 2.82Å; D202-T205 VanDerWaalsContact CA-OG1 3.23Å; D202-T205 WeakPolarHBondContact CA-OG1 3.09Å; D202-T205 PolarHBondContact O-OG1 2.87Å; D202-R206 WeakPolarHBondContact O-CB 3.43Å; D202-R206 WeakPolarHBondContact O-CG 3.32Å; D202-R206 PolarHBondContact O-N 3.37Å; D202-R206 PolarHBondContact O-NE 3.09Å; D202-R206 VanDerWaalsContact O-NE 3.1Å
203I65.6Low54.9Low72 Ų72118.4 Ų118.437%0.36956%0.564SS.*Hα-helixtrans-80.3-38176.2-70.6162000110.5K199 I200 S201 K207K199-I203 WeakPolarHBondContact O-CB 3.46Å; K199-I203 VanDerWaalsContact O-CD1 3.32Å; K199-I203 WeakPolarHBondContact O-CD1 3.42Å; K199-I203 WeakPolarHBondContact O-CG1 3.45Å; K199-I203 PolarHBondContact O-N 3.49Å; I200-I203 PolarHBondContact O-N 2.69Å; I200-I203 VanDerWaalsContact O-N 3.16Å; S201-I203 VanDerWaalsContact C-N 3.29Å; S201-I203 PolarHBondContact O-N 3.48Å; I203-K207 HydrophobicContact CG2-CD 4.23Å; I203-K207 HydrophobicContact CG2-CG 4.48Å; I203-K207 VanDerWaalsContact O-CB 3.23Å; I203-K207 WeakPolarHBondContact O-CB 3.21Å; I203-K207 WeakPolarHBondContact O-CG 3.2Å; I203-K207 PolarHBondContact O-N 2.83Å
204V64.8Low53.7Low63 Ų63121.2 Ų121.238%0.38258%0.584SS.*Hα-helixtrans-71.2-36.1176.7172.40000111I200 S201 R208I200-V204 HydrophobicContact CG2-CG2 4.33Å; I200-V204 WeakPolarHBondContact O-CB 3.26Å; I200-V204 WeakPolarHBondContact O-CG2 3.48Å; I200-V204 PolarHBondContact O-N 3.4Å; S201-V204 PolarHBondContact O-N 3.25Å; V204-R208 WeakPolarHBondContact O-CG 3.18Å; V204-R208 PolarHBondContact O-N 3.25Å
205T59.8Low52.8Low68 Ų68118.3 Ų118.342%0.41758%0.58SS.*Hα-helixtrans-73.2-47.4173.355.40000110.8S201 D202 K207 R208 E209S201-T205 WeakPolarHBondContact O-CB 2.94Å; S201-T205 VanDerWaalsContact O-CG2 3.29Å; S201-T205 WeakPolarHBondContact O-CG2 3.4Å; S201-T205 PolarHBondContact O-N 3.38Å; S201-T205 PolarHBondContact O-OG1 3.16Å; D202-T205 VanDerWaalsContact CA-OG1 3.23Å; D202-T205 WeakPolarHBondContact CA-OG1 3.09Å; D202-T205 PolarHBondContact O-OG1 2.87Å; T205-K207 PolarHBondContact O-N 2.88Å; T205-R208 CarbonylContact O-C 3.29Å; T205-R208 WeakPolarHBondContact O-CA 3.38Å; T205-R208 PolarHBondContact O-N 2.82Å; T205-E209 PolarHBondContact O-N 3.48Å
206R56.7Low51.8Low153 Ų153119.5 Ų119.558%0.57759%0.588SS**Hα-helixtrans-63.1-36.1176-80.4-175.8-76.4173.3-11.4114D202 R208 E209D202-R206 WeakPolarHBondContact O-CB 3.43Å; D202-R206 WeakPolarHBondContact O-CG 3.32Å; D202-R206 PolarHBondContact O-N 3.37Å; D202-R206 PolarHBondContact O-NE 3.09Å; D202-R206 VanDerWaalsContact O-NE 3.1Å; R206-R208 PolarHBondContact O-N 2.92Å; R206-E209 WeakPolarHBondContact CG-OE2 3.35Å; R206-E209 VanDerWaalsContact O-CB 3.3Å; R206-E209 WeakPolarHBondContact O-CB 3.3Å; R206-E209 PolarHBondContact O-N 3.32Å; R206-E209 VanDerWaalsContact O-N 3.1Å
207K53Low50.8Low169 Ų169125.3 Ų125.374%0.73561%0.614SS**THydrogen-bonded Turntrans-71.9-12.7174.2-77.1-173.8175.1-176.70113.5I203 T205I203-K207 HydrophobicContact CG2-CD 4.23Å; I203-K207 HydrophobicContact CG2-CG 4.48Å; I203-K207 VanDerWaalsContact O-CB 3.23Å; I203-K207 WeakPolarHBondContact O-CB 3.21Å; I203-K207 WeakPolarHBondContact O-CG 3.2Å; I203-K207 PolarHBondContact O-N 2.83Å; T205-K207 PolarHBondContact O-N 2.88Å
208R47.3Very low49.5Very low197 Ų197128.7 Ų128.774%0.74363%0.632SS**THydrogen-bonded Turntrans-98.6-4.1169.2-71.7177.3-178.1155.11.1112.6V204 T205 R206 L210V204-R208 WeakPolarHBondContact O-CG 3.18Å; V204-R208 PolarHBondContact O-N 3.25Å; T205-R208 CarbonylContact O-C 3.29Å; T205-R208 WeakPolarHBondContact O-CA 3.38Å; T205-R208 PolarHBondContact O-N 2.82Å; R206-R208 PolarHBondContact O-N 2.92Å; R208-L210 PolarHBondContact O-N 3.24Å; R208-L210 VanDerWaalsContact O-N 3.12Å
209E40.7Very low48Very low133 Ų133128.8 Ų128.862%0.62164%0.643SS**  trans-82.793.2179.5-146.2159.1-145.900107.5T205 R206 T211T205-E209 PolarHBondContact O-N 3.48Å; R206-E209 WeakPolarHBondContact CG-OE2 3.35Å; R206-E209 VanDerWaalsContact O-CB 3.3Å; R206-E209 WeakPolarHBondContact O-CB 3.3Å; R206-E209 PolarHBondContact O-N 3.32Å; R206-E209 VanDerWaalsContact O-N 3.1Å; E209-T211 PolarHBondContact O-N 3.35Å; E209-T211 VanDerWaalsContact O-N 3.11Å
210L41.1Very low46.6Very low140 Ų140129.3 Ų129.373%0.73366%0.659SS**  trans-52.4117159.9-73.5162.1000106.7R208 F212R208-L210 PolarHBondContact O-N 3.24Å; R208-L210 VanDerWaalsContact O-N 3.12Å; L210-F212 HydrophobicContact CB-CE2 4.23Å; L210-F212 PolarHBondContact O-N 3.35Å
211T35.2Very low45.3Very low126 Ų126131 Ų13177%0.77368%0.677SS**  trans-6197.4176.1-49.60000108.8E209 K213E209-T211 PolarHBondContact O-N 3.35Å; E209-T211 VanDerWaalsContact O-N 3.11Å; T211-K213 HydrophobicContact CG2-CG 4.3Å; T211-K213 PolarHBondContact O-N 3.22Å
212F32.8Very low43.8Very low180 Ų180132.6 Ų132.679%0.78969%0.688SS**  trans-83.9101.5156.7-75.4-81.6000106.4L210 T214L210-F212 HydrophobicContact CB-CE2 4.23Å; L210-F212 PolarHBondContact O-N 3.35Å; F212-T214 PolarHBondContact O-N 2.62Å
213K37.5Very low42.3Very low178 Ų178138.9 Ų138.977%0.77471%0.712SS**  trans-66.5124.5156.6-75.4-167170.2-167.60106.6T211T211-K213 HydrophobicContact CG2-CG 4.3Å; T211-K213 PolarHBondContact O-N 3.22Å
214T31.4Very low40.7Very low136 Ų136144.2 Ų144.283%0.83474%0.736SS**  trans-129.3117.9150-43.50000107F212F212-T214 PolarHBondContact O-N 2.62Å
215E34.6Very low39.3Very low166 Ų166146.5 Ų146.578%0.77675%0.754SS**  trans-60.5156.9170.8-65.7169.6162.800109.8
216E38.2Very low37.9Very low189 Ų189149.3 Ų149.388%0.88378%0.775SS**  trans-57131173.5-62.1174.5151.200110.9
217E38Very low37.2Very low185 Ų185149.9 Ų149.986%0.86479%0.789SS**  168.8138.1112.8-87.6-146.114700113.4
218D35Very low36.7Very low164 Ų164150.9 Ų150.988%0.87780%0.796SS**  trans32.5133.8148.6-144.817.5000123.9
219G31.7Very low36.5Very low64 Ų64147.8 Ų147.866%0.6680%0.799SS**  trans89149.114800000119.6
220P38.8Very low36.9Very low128 Ų128144.1 Ų144.183%0.83179%0.787SS**  trans-106.3146.7-139.337.6-31000117.3
221S36.6Very low38Very low110 Ų110140.6 Ų140.677%0.76977%0.774SS**  trans44.8109.1137.6-1610000119.2
222S33.3Very low39.3Very low98 Ų98137.1 Ų137.169%0.68576%0.763SS**  153.1129.89953.50000112.3
223K36.6Very low40.4Very low197 Ų197134.6 Ų134.686%0.85776%0.757SS**  trans59.9106.9157.8-57.4173.7-177.8179.40117.4
224Q31.4Very low41.8Very low185 Ų185131.3 Ų131.386%0.86475%0.745SS**  172.1141.4104.8-131.2151.1-23.300113.8
225S36Very low43.6Very low110 Ų110128.5 Ų128.577%0.76973%0.725SS**  trans43.6101.115366.10000120
226C31Very low45.4Very low128 Ų128129 Ų12987%0.86572%0.72SS**  trans-91.5125.3159.7-170.90000109.4E228C226-E228 PolarHBondContact O-N 3.13Å
227L40.5Very low47.2Very low165 Ų165125.4 Ų125.486%0.86471%0.706SS**  trans-51125.8171.8-90117.1000110.9T229L227-T229 PolarHBondContact O-N 3.31Å; L227-T229 VanDerWaalsContact O-N 3.16Å
228E42.5Very low48.8Very low190 Ų190121.7 Ų121.789%0.88869%0.689SS**  trans-64.5105.8176.4-73.8175.6131.100111C226C226-E228 PolarHBondContact O-N 3.13Å
229T44.8Very low50.7Low132 Ų132117.4 Ų117.481%0.8167%0.667SS**  trans-106.7109.8149.129.10000108.2L227 S231L227-T229 PolarHBondContact O-N 3.31Å; L227-T229 VanDerWaalsContact O-N 3.16Å; T229-S231 PolarHBondContact O-N 3.3Å
230P47.5Very low53.1Low56 Ų56119.2 Ų119.236%0.36466%0.661SS.*  trans-68.9125.3-175.621.8-29.1000111.3Q234 N235P230-Q234 HydrophobicContact CB-CB 3.58Å; P230-Q234 HydrophobicContact CB-CG 4.5Å; P230-N235 WeakPolarHBondContact CG-OD1 3.23Å; P230-N235 PolarHBondContact O-ND2 3.05Å
231S64.6Low54.9Low66 Ų66118.9 Ų118.946%0.46265%0.648SS.*  trans-54.4154.317363.70000110.8T229 L233 Q234 N235T229-S231 PolarHBondContact O-N 3.3Å; S231-L233 CarbonylContact O-C 3.6Å; S231-L233 PolarHBondContact O-N 3.29Å; S231-Q234 WeakPolarHBondContact O-CA 3.26Å; S231-Q234 WeakPolarHBondContact O-CB 3.5Å; S231-Q234 PolarHBondContact O-N 2.68Å; S231-N235 PolarHBondContact O-N 3.18Å
232G62.7Low56.8Low53 Ų53119.8 Ų119.855%0.54663%0.634SS.*Hα-helixtrans-54-23.1-176.900000114.8R236G232-R236 VanDerWaalsContact O-CG 3.28Å; G232-R236 WeakPolarHBondContact O-CG 3.35Å; G232-R236 PolarHBondContact O-N 2.77Å
233L55.8Low58.8Low127 Ų127119.8 Ų119.867%0.66563%0.627SS**Hα-helixtrans-71.6-40.5170.8-91164.1000113.2S231 R236 L237S231-L233 CarbonylContact O-C 3.6Å; S231-L233 PolarHBondContact O-N 3.29Å; L233-R236 PolarHBondContact O-N 2.76Å; L233-L237 WeakPolarHBondContact O-CB 3.19Å; L233-L237 PolarHBondContact O-N 3.4Å
234Q67.3Low60.6Low108 Ų108119.4 Ų119.451%0.50562%0.62SS.*Hα-helixtrans-66.3-38.7175.8-72.6175.6-8.600111.2P230 S231 R236 L237 M238P230-Q234 HydrophobicContact CB-CB 3.58Å; P230-Q234 HydrophobicContact CB-CG 4.5Å; S231-Q234 WeakPolarHBondContact O-CA 3.26Å; S231-Q234 WeakPolarHBondContact O-CB 3.5Å; S231-Q234 PolarHBondContact O-N 2.68Å; Q234-R236 VanDerWaalsContact C-N 3.33Å; Q234-R236 PolarHBondContact O-N 3.24Å; Q234-L237 PolarHBondContact O-N 3.05Å; Q234-M238 WeakPolarHBondContact O-CB 3.29Å; Q234-M238 WeakPolarHBondContact O-CG 3.44Å; Q234-M238 PolarHBondContact O-N 3.36Å
235N69.9Low62.5Low78 Ų78113.1 Ų113.142%0.41760%0.596SS.*Hα-helixtrans-62.4-40172.7-74.9-25.2000112.4P230 S231 L237 N239P230-N235 WeakPolarHBondContact CG-OD1 3.23Å; P230-N235 PolarHBondContact O-ND2 3.05Å; S231-N235 PolarHBondContact O-N 3.18Å; N235-L237 VanDerWaalsContact C-N 3.34Å; N235-N239 WeakPolarHBondContact O-CB 3.48Å; N235-N239 PolarHBondContact O-N 3.37Å; N235-N239 PolarHBondContact O-ND2 2.95Å
236R71.7Confident64.2Low177 Ų177112.3 Ų112.367%0.66858%0.583SS**Hα-helixtrans-66.1-37.1175.1-73.4176.673.5-1753.5112.3G232 L233 Q234 N239 L240G232-R236 VanDerWaalsContact O-CG 3.28Å; G232-R236 WeakPolarHBondContact O-CG 3.35Å; G232-R236 PolarHBondContact O-N 2.77Å; L233-R236 PolarHBondContact O-N 2.76Å; Q234-R236 VanDerWaalsContact C-N 3.33Å; Q234-R236 PolarHBondContact O-N 3.24Å; R236-N239 PolarHBondContact O-N 2.84Å; R236-L240 WeakPolarHBondContact O-CG 3.31Å; R236-L240 PolarHBondContact O-N 3.47Å
237L75.5Confident65.8Low112 Ų112109.1 Ų109.159%0.58657%0.566SS**Hα-helixtrans-70.4-41.4178.9-146.6136.9000111.4L233 Q234 N235 N239 L240 Q241L233-L237 WeakPolarHBondContact O-CB 3.19Å; L233-L237 PolarHBondContact O-N 3.4Å; Q234-L237 PolarHBondContact O-N 3.05Å; N235-L237 VanDerWaalsContact C-N 3.34Å; L237-N239 PolarHBondContact O-N 3.05Å; L237-L240 PolarHBondContact O-N 3.43Å; L237-Q241 WeakPolarHBondContact O-CB 3.3Å; L237-Q241 PolarHBondContact O-N 2.7Å
238M71.4Confident66.8Low107 Ų107107.9 Ų107.953%0.52756%0.556SS.*Hα-helixtrans-63.6-38.4173.5-71.8-65.9-76.800112.5Q234 Q241 R242Q234-M238 WeakPolarHBondContact O-CB 3.29Å; Q234-M238 WeakPolarHBondContact O-CG 3.44Å; Q234-M238 PolarHBondContact O-N 3.36Å; M238-Q241 PolarHBondContact O-N 3.46Å; M238-R242 WeakPolarHBondContact O-CB 3.32Å; M238-R242 PolarHBondContact O-N 3.32Å
239N76.1Confident67.5Low74 Ų74103.5 Ų103.540%0.39654%0.538SS..Hα-helixtrans-66.2-44.2175.7-71.1-13.7000111.8N235 R236 L237 Q241 R242 D243N235-N239 WeakPolarHBondContact O-CB 3.48Å; N235-N239 PolarHBondContact O-N 3.37Å; N235-N239 PolarHBondContact O-ND2 2.95Å; R236-N239 PolarHBondContact O-N 2.84Å; L237-N239 PolarHBondContact O-N 3.05Å; N239-Q241 VanDerWaalsContact C-N 3.28Å; N239-Q241 PolarHBondContact O-N 3.34Å; N239-R242 WeakPolarHBondContact O-CB 3.47Å; N239-R242 PolarHBondContact O-N 3.47Å; N239-R242 PolarHBondContact OD1-NH1 3.23Å; N239-D243 PolarHBondContact O-N 3.28Å
240L80.4Confident68.1Low102 Ų102103.6 Ų103.653%0.53453%0.53SS..Hα-helixtrans-61.9-35.7175-75.3167.9000112.7R236 L237 R244R236-L240 WeakPolarHBondContact O-CG 3.31Å; R236-L240 PolarHBondContact O-N 3.47Å; L237-L240 PolarHBondContact O-N 3.43Å; L240-R244 WeakPolarHBondContact O-CG 3.23Å; L240-R244 PolarHBondContact O-N 3.49Å; L240-R244 VanDerWaalsContact O-N 3.12Å
241Q76.7Confident68.5Low121 Ų121107.2 Ų107.257%0.56555%0.546SS*.Hα-helixtrans-73-32177.8-160.7165.3-1700111.9L237 M238 N239 S245L237-Q241 WeakPolarHBondContact O-CB 3.3Å; L237-Q241 PolarHBondContact O-N 2.7Å; M238-Q241 PolarHBondContact O-N 3.46Å; N239-Q241 VanDerWaalsContact C-N 3.28Å; N239-Q241 PolarHBondContact O-N 3.34Å; Q241-S245 PolarHBondContact O-N 3.24Å; Q241-S245 PolarHBondContact O-OG 3.17Å
242R78.3Confident67.9Low129 Ų129110.7 Ų110.749%0.48756%0.559SS.*Hα-helixtrans-68.3-42.5171-161.7-177.6-60.2109.10.6111.9M238 N239 R244 S245 L246M238-R242 WeakPolarHBondContact O-CB 3.32Å; M238-R242 PolarHBondContact O-N 3.32Å; N239-R242 WeakPolarHBondContact O-CB 3.47Å; N239-R242 PolarHBondContact O-N 3.47Å; N239-R242 PolarHBondContact OD1-NH1 3.23Å; R242-R244 VanDerWaalsContact C-N 3.33Å; R242-R244 PolarHBondContact O-N 3.1Å; R242-S245 WeakPolarHBondContact CA-OG 3.41Å; R242-S245 PolarHBondContact O-N 2.95Å; R242-S245 PolarHBondContact O-OG 3.28Å; R242-L246 HydrophobicContact CG-CD1 4.47Å; R242-L246 WeakPolarHBondContact O-CG 3.42Å; R242-L246 PolarHBondContact O-N 3.24Å
243D74.8Confident67.5Low98 Ų98115.8 Ų115.852%0.52457%0.569SS.*Hα-helixtrans-63.4-39.6177.4-69-16.3000111.8N239 L246 A247N239-D243 PolarHBondContact O-N 3.28Å; D243-L246 PolarHBondContact O-N 3.08Å; D243-A247 WeakPolarHBondContact O-CB 3.18Å; D243-A247 PolarHBondContact O-N 3.33Å
244R74Confident67.1Low189 Ų189116 Ų11671%0.71357%0.571SS**Hα-helixtrans-66.2-37.5176.3-74.5-179.4-176.7-169.91.1113.2L240 R242 A247 Q248L240-R244 WeakPolarHBondContact O-CG 3.23Å; L240-R244 PolarHBondContact O-N 3.49Å; L240-R244 VanDerWaalsContact O-N 3.12Å; R242-R244 VanDerWaalsContact C-N 3.33Å; R242-R244 PolarHBondContact O-N 3.1Å; R244-A247 PolarHBondContact O-N 3.03Å; R244-Q248 PolarHBondContact O-N 3.4Å
245S70.6Confident66.4Low53 Ų53119.3 Ų119.337%0.37159%0.586SS.*Hα-helixtrans-73.8-34.3178.243.70000112.5Q241 R242 Q248 N249Q241-S245 PolarHBondContact O-N 3.24Å; Q241-S245 PolarHBondContact O-OG 3.17Å; R242-S245 WeakPolarHBondContact CA-OG 3.41Å; R242-S245 PolarHBondContact O-N 2.95Å; R242-S245 PolarHBondContact O-OG 3.28Å; S245-Q248 PolarHBondContact O-N 3.28Å; S245-N249 WeakPolarHBondContact O-CB 3.5Å; S245-N249 PolarHBondContact O-N 3.38Å
246L72.1Confident65.2Low94 Ų94120.6 Ų120.649%0.49260%0.599SS.*Hα-helixtrans-64.1-41.7170.5-71.3170.6000111.8R242 D243 N249 Q250R242-L246 HydrophobicContact CG-CD1 4.47Å; R242-L246 WeakPolarHBondContact O-CG 3.42Å; R242-L246 PolarHBondContact O-N 3.24Å; D243-L246 PolarHBondContact O-N 3.08Å; L246-N249 PolarHBondContact O-N 3Å; L246-Q250 WeakPolarHBondContact O-CG 3.21Å; L246-Q250 PolarHBondContact O-N 2.95Å
247A64.8Low64.1Low61 Ų61119.9 Ų119.950%0.50461%0.608SS.*Hα-helixtrans-65.5-36.1175.600000112.8D243 R244 N251D243-A247 WeakPolarHBondContact O-CB 3.18Å; D243-A247 PolarHBondContact O-N 3.33Å; R244-A247 PolarHBondContact O-N 3.03Å; A247-N251 PolarHBondContact O-N 2.95Å
248Q61.3Low62.4Low139 Ų139120 Ų12065%0.6562%0.619SS**Hα-helixtrans-70.2-38.4174.7-101174.9-48.300112.9R244 S245 N251 N252R244-Q248 PolarHBondContact O-N 3.4Å; S245-Q248 PolarHBondContact O-N 3.28Å; Q248-N251 PolarHBondContact O-N 3.49Å; Q248-N252 PolarHBondContact O-N 3.2Å
249N57.5Low60.9Low97 Ų97119.9 Ų119.952%0.51963%0.628SS.*Hα-helixtrans-70.9-34178-79.3-22.1000112.8S245 L246 N251 N252 Q253S245-N249 WeakPolarHBondContact O-CB 3.5Å; S245-N249 PolarHBondContact O-N 3.38Å; L246-N249 PolarHBondContact O-N 3Å; N249-N251 PolarHBondContact O-N 3.36Å; N249-N252 PolarHBondContact O-N 2.75Å; N249-Q253 PolarHBondContact O-N 3.4Å
250Q57.7Low59.5Low135 Ų135120.8 Ų120.863%0.63165%0.646SS**Hα-helixtrans-64.4-28.5171.5-74.1-178.312.500112.6L246 N254L246-Q250 WeakPolarHBondContact O-CG 3.21Å; L246-Q250 PolarHBondContact O-N 2.95Å; Q250-N254 PolarHBondContact O-ND2 3.18Å
251N54.7Low57.5Low131 Ų131121.9 Ų121.970%0.70166%0.661SS**Hα-helixtrans-78.7-21.7178.6-144.622000113.1A247 Q248 N249A247-N251 PolarHBondContact O-N 2.95Å; Q248-N251 PolarHBondContact O-N 3.49Å; N249-N251 PolarHBondContact O-N 3.36Å
252N52.1Low55.8Low140 Ų140122.9 Ų122.975%0.74967%0.67SS**SBendtrans-90-5.5177.4-84.83.4000114.2Q248 N249Q248-N252 PolarHBondContact O-N 3.2Å; N249-N252 PolarHBondContact O-N 2.75Å
253Q54.2Low54.2Low159 Ų159122.5 Ų122.574%0.74368%0.682SS**SBendtrans-103.8-0.9-179.3-91.3159.1-15.900114.6N249N249-Q253 PolarHBondContact O-N 3.4Å
254N49Very low52.8Low131 Ų131130.3 Ų130.370%0.70172%0.715SS**SBendtrans-101.320.5-178.8-71.4-33.4000114.7Q250 P256Q250-N254 PolarHBondContact O-ND2 3.18Å; N254-P256 WeakPolarHBondContact O-CD 2.97Å
255H52Low51.7Low178 Ų178127.4 Ų127.482%0.82472%0.715SS**  trans-11397.8170.1-132-30.6000110.5
256P43.9Very low50.7Low106 Ų106131.3 Ų131.369%0.68873%0.734SS**  trans-92.9140.9150.930.1-18.5000109.5N254N254-P256 WeakPolarHBondContact O-CD 2.97Å
257D48.8Very low49.5Very low161 Ų161133.4 Ų133.486%0.86175%0.747SS**  trans-51.6139.1178.1-62.3-65.6000113.9
258S39.8Very low48.6Very low116 Ų116137.6 Ų137.681%0.81176%0.761SS**  trans-151.790.6142.2-163.80000110.3
259S40.6Very low47.8Very low103 Ų103137.6 Ų137.672%0.7277%0.768SS**  34.5103.9119.9174.30000116.7
260A45.3Very low47.2Very low93 Ų93140.3 Ų140.377%0.76979%0.785SS**  trans19.7125.2130.900000118.5
261C39.8Very low46.4Very low126 Ų126140.6 Ų140.685%0.85180%0.796SS**  -166.1136.5110-1540000112.7
262N41.5Very low45.8Very low141 Ų141141.4 Ų141.475%0.75480%0.803SS**  trans-43.7149.4174.4-73.5-33.2000118.9
263T43.8Very low45.3Very low121 Ų121141.5 Ų141.574%0.74281%0.808SS**  49.2115.5125.3-460000119.1
264Q44.7Very low44.5Very low263 Ų263139.9 Ų139.9100%1.22981%0.814SS**  -1580106.7-106.1173.6-4.300110.8

Retrieved 264 of 264 residues in 683.9 ms (Link to these results)

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