A0A096NK56_PAPAN Loading...

Vacuolar protein sorting-associated protein 33B

AlphaFold DB (A0A2K6BW64), UniProt , Accession A0A096NK56, Species PAPAN (Papio anubis, Olive baboon), Gene VPS33B, Length 617 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M39.5Very low61.1Low196 Ų196100.1 Ų100.197%0.96653%0.529SS*.  0130.40-73.1178.4-172.900105.4F3M1-F3 PolarHBondContact O-N 3.3Å
2A36.2Very low63.7Low44 Ų4494.7 Ų94.736%0.36450%0.5SS..  trans-70.6111.4172.700000107.2P4 E288 F300A2-P4 WeakPolarHBondContact O-CD 3.39Å; A2-E288 HydrophobicContact CB-CB 4.3Å; A2-E288 HydrophobicContact CB-CG 4.13Å; A2-F300 HydrophobicContact CB-CE2 4.22Å; A2-F300 HydrophobicContact CB-CZ 4.31Å
3F44.8Very low65.9Low113 Ų11388.5 Ų88.550%0.49647%0.469SS..PPolyproline II helixtrans-65.3117.5176.4-71.4-87.3000107.8M1M1-F3 PolarHBondContact O-N 3.3Å
4P49.9Very low67.8Low115 Ų11589.9 Ų89.975%0.74748%0.476SS*.PPolyproline II helixtrans-61.6144.8-175.623.4-31.1000110.3A2 R6A2-P4 WeakPolarHBondContact O-CD 3.39Å; P4-R6 PolarHBondContact O-N 2.84Å
5H56.5Low69.6Low121 Ų12184.5 Ų84.556%0.5645%0.447SS*.PPolyproline II helixtrans-48.3133.6171.4-83.5-51000110.3P7H5-P7 WeakPolarHBondContact O-CD 3.39Å
6R64.4Low71Confident111 Ų11183.3 Ų83.342%0.41945%0.448SS..PPolyproline II helixtrans-60.2120.5174.7-143-169.9162.8139.1-0.8107.9P4 D8 A9 R589 E590P4-R6 PolarHBondContact O-N 2.84Å; R6-D8 VanDerWaalsContact CB-OD1 3.28Å; R6-D8 WeakPolarHBondContact CB-OD1 3.47Å; R6-D8 WeakPolarHBondContact CD-OD1 3.32Å; R6-D8 WeakPolarHBondContact CG-OD1 3.36Å; R6-D8 IonicContact CZ-OD2 3.33Å; R6-D8 IonicContact NE-OD1 3.33Å; R6-D8 PolarHBondContact NE-OD1 3.4Å; R6-D8 IonicContact NE-OD2 3.62Å; R6-D8 PolarHBondContact NE-OD2 2.86Å; R6-D8 VanDerWaalsContact NE-OD2 3.11Å; R6-D8 IonicContact NH2-OD2 2.66Å; R6-D8 PolarHBondContact O-N 2.83Å; R6-D8 VanDerWaalsContact O-N 3.09Å; R6-A9 WeakPolarHBondContact O-CB 3.38Å; R6-A9 PolarHBondContact O-N 3.13Å; R6-A9 VanDerWaalsContact O-N 3.1Å; R6-R589 PolarHBondContact NH1-O 3.25Å; R6-E590 PolarHBondContact NH1-O 2.74Å
7P60.1Low72.3Confident137 Ų13784.1 Ų84.189%0.8945%0.45SS*.THydrogen-bonded Turntrans-62.8-17.8-172-23.732.8000114.8H5H5-P7 WeakPolarHBondContact O-CD 3.39Å
8D72.1Confident73.6Confident70 Ų7079.7 Ų79.737%0.37443%0.426SS..THydrogen-bonded Turntrans-92.9-1.5-179.561.5-18.7000113.6R6 R566R6-D8 VanDerWaalsContact CB-OD1 3.28Å; R6-D8 WeakPolarHBondContact CB-OD1 3.47Å; R6-D8 WeakPolarHBondContact CD-OD1 3.32Å; R6-D8 WeakPolarHBondContact CG-OD1 3.36Å; R6-D8 IonicContact CZ-OD2 3.33Å; R6-D8 IonicContact NE-OD1 3.33Å; R6-D8 PolarHBondContact NE-OD1 3.4Å; R6-D8 IonicContact NE-OD2 3.62Å; R6-D8 PolarHBondContact NE-OD2 2.86Å; R6-D8 VanDerWaalsContact NE-OD2 3.11Å; R6-D8 IonicContact NH2-OD2 2.66Å; R6-D8 PolarHBondContact O-N 2.83Å; R6-D8 VanDerWaalsContact O-N 3.09Å; D8-R566 PolarHBondContact O-NH1 3.24Å; D8-R566 PolarHBondContact O-NH2 3.14Å
9A73.3Confident74.7Confident26 Ų2679.1 Ų79.122%0.21542%0.42CS..SBendtrans-69.7138.7177.600000110.6R6R6-A9 WeakPolarHBondContact O-CB 3.38Å; R6-A9 PolarHBondContact O-N 3.13Å; R6-A9 VanDerWaalsContact O-N 3.1Å
10P85.9Confident75.7Confident2 Ų282.7 Ų82.71%0.01343%0.427CS..PPolyproline II helixtrans-62.6153-178.527-34.6000111.7E563 R566 L567 R594P10-E563 HydrophobicContact CB-CB 4.12Å; P10-R566 HydrophobicContact CG-CB 3.92Å; P10-L567 HydrophobicContact CB-CD1 4.3Å; P10-L567 HydrophobicContact CB-CD2 4.07Å; P10-L567 HydrophobicContact CB-CG 3.89Å; P10-L567 HydrophobicContact CG-CD2 3.82Å; P10-L567 HydrophobicContact CG-CG 3.83Å; P10-R594 HydrophobicContact CG-CB 3.8Å; P10-R594 WeakPolarHBondContact O-CD 3.48Å; P10-R594 PolarHBondContact O-NH1 2.68Å; P10-R594 VanDerWaalsContact O-NH1 3.13Å
11E89.2Confident76.6Confident166 Ų16682.5 Ų82.578%0.77643%0.426SS*.PPolyproline II helixtrans-71.9150.8170.4-65.7-167.3163.600110.6
12L92.3Very high79.3Confident35 Ų3573.5 Ų73.518%0.18338%0.383CS..PPolyproline II helixtrans-83.2145.3176.7-71.5168.2000110.2V150 D151 L567 R594 I596L12-V150 HydrophobicContact CD1-CB 4.22Å; L12-V150 HydrophobicContact CD1-CG2 4.07Å; L12-D151 HydrophobicContact CD1-CB 3.86Å; L12-D151 HydrophobicContact CD2-CB 4.47Å; L12-L567 HydrophobicContact CD2-CD2 4.2Å; L12-R594 HydrophobicContact CD2-CG 3.73Å; L12-R594 HydrophobicContact CG-CG 4.24Å; L12-R594 VanDerWaalsContact CG-NE 3.29Å; L12-I596 HydrophobicContact CD2-CD1 4.23Å; L12-I596 HydrophobicContact CD2-CG1 3.63Å
13P92.6Very high82.2Confident14 Ų1475.3 Ų75.39%0.09138%0.38CS..PPolyproline II helixtrans-58.3149.9167.2-20.832.5000111.8F15 Y187 I225 I596P13-F15 HydrophobicContact CB-CE1 4.32Å; P13-F15 HydrophobicContact CB-CE2 4.49Å; P13-F15 HydrophobicContact CB-CZ 4.06Å; P13-F15 HydrophobicContact CG-CZ 4.23Å; P13-F15 WeakPolarHBondContact O-CD2 3.35Å; P13-F15 PolarHBondContact O-N 3.06Å; P13-Y187 HydrophobicContact CB-CD1 3.68Å; P13-Y187 HydrophobicContact CB-CE1 3.69Å; P13-I225 HydrophobicContact CG-CD1 4.35Å; P13-I225 HydrophobicContact CG-CG1 4.2Å; P13-I596 HydrophobicContact CG-CD1 4.3Å
14D92Very high84.6Confident108 Ų10873 Ų7358%0.57837%0.373SS*.  trans-79.6109.8175-179.218.7000111.2S16 Y187D14-S16 VanDerWaalsContact C-N 3.34Å; D14-S16 VanDerWaalsContact CG-OG 3.22Å; D14-S16 WeakPolarHBondContact OD1-CB 3.29Å; D14-S16 PolarHBondContact OD1-N 3.29Å; D14-S16 PolarHBondContact OD1-OG 3.28Å; D14-S16 VanDerWaalsContact OD1-OG 3.05Å; D14-S16 PolarHBondContact OD2-OG 3.47Å; D14-Y187 PolarHBondContact O-OH 2.97Å
15F95.1Very high86.9Confident9 Ų970.6 Ų70.64%0.03935%0.352CS..THydrogen-bonded Turntrans-86.52.1176.2-61.8-63.3000114.1P13 M17 L18 P147 L153 L183 Y187 I596P13-F15 HydrophobicContact CB-CE1 4.32Å; P13-F15 HydrophobicContact CB-CE2 4.49Å; P13-F15 HydrophobicContact CB-CZ 4.06Å; P13-F15 HydrophobicContact CG-CZ 4.23Å; P13-F15 WeakPolarHBondContact O-CD2 3.35Å; P13-F15 PolarHBondContact O-N 3.06Å; F15-M17 PolarHBondContact O-N 3.05Å; F15-L18 HydrophobicContact CB-CD1 4.21Å; F15-L18 HydrophobicContact CD1-CD1 3.89Å; F15-L18 HydrophobicContact CG-CD1 4.46Å; F15-L18 WeakPolarHBondContact O-CB 3.45Å; F15-L18 PolarHBondContact O-N 3.49Å; F15-P147 HydrophobicContact CB-CB 4.15Å; F15-P147 HydrophobicContact CB-CG 3.98Å; F15-P147 WeakPolarHBondContact O-CG 3.27Å; F15-L153 HydrophobicContact CB-CD2 4.08Å; F15-L153 HydrophobicContact CD1-CD1 4.07Å; F15-L153 HydrophobicContact CD1-CD2 4.17Å; F15-L153 HydrophobicContact CD2-CD2 4.3Å; F15-L153 HydrophobicContact CE1-CD1 4.05Å; F15-L153 HydrophobicContact CG-CD2 3.92Å; F15-L183 HydrophobicContact CE1-CD2 4.4Å; F15-Y187 WeakPolarHBondContact CA-OH 3.47Å; F15-Y187 HydrophobicContact CD1-CE1 4.45Å; F15-Y187 AromaticContact CD1-CE2 3.8Å; F15-Y187 HydrophobicContact CD1-CE2 3.8Å; F15-Y187 AromaticContact CD1-CZ 3.62Å; F15-Y187 WeakPolarHBondContact CD1-OH 3.37Å; F15-Y187 HydrophobicContact CE1-CD2 4.25Å; F15-Y187 HydrophobicContact CE1-CE1 4.37Å; F15-Y187 AromaticContact CE1-CE2 3.69Å; F15-Y187 HydrophobicContact CE1-CE2 3.69Å; F15-Y187 AromaticContact CE1-CZ 3.77Å; F15-I596 HydrophobicContact CE2-CD1 4.46Å; F15-I596 HydrophobicContact CE2-CG1 4.33Å; F15-I596 HydrophobicContact CE2-CG2 3.96Å; F15-I596 HydrophobicContact CZ-CD1 4.05Å; F15-I596 HydrophobicContact CZ-CG1 4.31Å; F15-I596 HydrophobicContact CZ-CG2 3.79Å
16S92Very high88.8Confident66 Ų6665 Ų6546%0.46233%0.326SS..Hα-helixtrans-60.7-30.3178.878.80000112.9D14 L18 K19 R20D14-S16 VanDerWaalsContact C-N 3.34Å; D14-S16 VanDerWaalsContact CG-OG 3.22Å; D14-S16 WeakPolarHBondContact OD1-CB 3.29Å; D14-S16 PolarHBondContact OD1-N 3.29Å; D14-S16 PolarHBondContact OD1-OG 3.28Å; D14-S16 VanDerWaalsContact OD1-OG 3.05Å; D14-S16 PolarHBondContact OD2-OG 3.47Å; S16-L18 VanDerWaalsContact C-N 3.27Å; S16-L18 PolarHBondContact O-N 3.38Å; S16-K19 PolarHBondContact O-N 3.44Å; S16-R20 PolarHBondContact O-N 2.77Å
17M92.9Very high90.4Very high96 Ų9660.9 Ų60.947%0.47331%0.312SS..Hα-helixtrans-60-35.4177.5-173.3174.6-6900112.3F15 K19 R20 L21 L186F15-M17 PolarHBondContact O-N 3.05Å; M17-K19 VanDerWaalsContact C-N 3.34Å; M17-K19 PolarHBondContact O-N 2.8Å; M17-R20 WeakPolarHBondContact O-CB 3.26Å; M17-R20 PolarHBondContact O-N 3.34Å; M17-R20 VanDerWaalsContact O-N 3.15Å; M17-L21 HydrophobicContact CG-CD1 4.11Å; M17-L21 HydrophobicContact CG-CG 4.22Å; M17-L21 WeakPolarHBondContact O-CG 3.49Å; M17-L21 PolarHBondContact O-N 3.07Å; M17-L186 HydrophobicContact SD-CD2 3.88Å
18L96.1Very high92.2Very high6 Ų661 Ų613%0.03130%0.296CS..Hα-helixtrans-60.3-43.5177.9-65.5172.7000111.6F15 S16 R20 L21 A22 L145 P147 L153 L182 L183 L186F15-L18 HydrophobicContact CB-CD1 4.21Å; F15-L18 HydrophobicContact CD1-CD1 3.89Å; F15-L18 HydrophobicContact CG-CD1 4.46Å; F15-L18 WeakPolarHBondContact O-CB 3.45Å; F15-L18 PolarHBondContact O-N 3.49Å; S16-L18 VanDerWaalsContact C-N 3.27Å; S16-L18 PolarHBondContact O-N 3.38Å; L18-R20 VanDerWaalsContact C-N 3.31Å; L18-R20 PolarHBondContact O-N 2.93Å; L18-L21 PolarHBondContact O-N 2.76Å; L18-A22 WeakPolarHBondContact O-CB 3.47Å; L18-A22 PolarHBondContact O-N 3.02Å; L18-L145 HydrophobicContact CD1-CB 4.22Å; L18-L145 HydrophobicContact CD1-CD1 4.39Å; L18-L145 HydrophobicContact CD2-CB 4.49Å; L18-L145 HydrophobicContact CD2-CD1 4.16Å; L18-P147 HydrophobicContact CB-CG 4.04Å; L18-P147 HydrophobicContact CD1-CG 4.15Å; L18-L153 HydrophobicContact CD1-CD1 4.18Å; L18-L153 HydrophobicContact CD1-CD2 4.09Å; L18-L182 HydrophobicContact CD2-CD2 4.08Å; L18-L182 HydrophobicContact CD2-CG 4.36Å; L18-L183 HydrophobicContact CD1-CD2 4.29Å; L18-L186 HydrophobicContact CD2-CD1 3.55Å; L18-L186 HydrophobicContact CG-CD1 4.49Å
19K94.2Very high93.4Very high68 Ų6858 Ų5830%0.29628%0.28SS..Hα-helixtrans-64-39.6176.7-66.4-175.7-179.2168.10111.6S16 M17 R23 I52 P147S16-K19 PolarHBondContact O-N 3.44Å; M17-K19 VanDerWaalsContact C-N 3.34Å; M17-K19 PolarHBondContact O-N 2.8Å; K19-R23 VanDerWaalsContact O-CB 3.29Å; K19-R23 WeakPolarHBondContact O-CB 3.5Å; K19-R23 PolarHBondContact O-N 2.68Å; K19-I52 HydrophobicContact CB-CD1 3.98Å; K19-I52 HydrophobicContact CG-CD1 3.87Å; K19-P147 WeakPolarHBondContact CE-O 3.26Å; K19-P147 HydrophobicContact CG-CG 4.04Å; K19-P147 PolarHBondContact NZ-O 2.91Å
20R94.2Very high94.6Very high151 Ų15156.8 Ų56.857%0.5727%0.27SS*.Hα-helixtrans-65.4-48.9178.2175.9175.7163.5-166.6-8.4111.2S16 M17 L18 A22 R23 D24S16-R20 PolarHBondContact O-N 2.77Å; M17-R20 WeakPolarHBondContact O-CB 3.26Å; M17-R20 PolarHBondContact O-N 3.34Å; M17-R20 VanDerWaalsContact O-N 3.15Å; L18-R20 VanDerWaalsContact C-N 3.31Å; L18-R20 PolarHBondContact O-N 2.93Å; R20-A22 VanDerWaalsContact C-N 3.35Å; R20-A22 PolarHBondContact O-N 2.81Å; R20-R23 PolarHBondContact O-N 3.36Å; R20-D24 VanDerWaalsContact CG-OD2 3.26Å; R20-D24 WeakPolarHBondContact CG-OD2 3.5Å; R20-D24 IonicContact NE-OD2 3.25Å; R20-D24 PolarHBondContact NE-OD2 3.12Å; R20-D24 WeakPolarHBondContact O-CB 3.43Å; R20-D24 PolarHBondContact O-N 2.83Å
21L95.1Very high95.1Very high78 Ų7861.5 Ų61.541%0.40829%0.292SS..Hα-helixtrans-57.4-47.8177.2-71.2172000111.4M17 L18 R23 D24 Q25 L186M17-L21 HydrophobicContact CG-CD1 4.11Å; M17-L21 HydrophobicContact CG-CG 4.22Å; M17-L21 WeakPolarHBondContact O-CG 3.49Å; M17-L21 PolarHBondContact O-N 3.07Å; L18-L21 PolarHBondContact O-N 2.76Å; L21-R23 PolarHBondContact O-N 3.05Å; L21-D24 PolarHBondContact O-N 3.4Å; L21-Q25 WeakPolarHBondContact O-CB 3.35Å; L21-Q25 PolarHBondContact O-N 3.44Å; L21-L186 HydrophobicContact CD1-CD1 3.99Å; L21-L186 HydrophobicContact CD1-CD2 4.29Å
22A95.9Very high95.4Very high7 Ų757.3 Ų57.36%0.05827%0.272CS..Hα-helixtrans-60.1-45.1176.900000112L18 R20 L26 I52 W141 F143L18-A22 WeakPolarHBondContact O-CB 3.47Å; L18-A22 PolarHBondContact O-N 3.02Å; R20-A22 VanDerWaalsContact C-N 3.35Å; R20-A22 PolarHBondContact O-N 2.81Å; A22-L26 PolarHBondContact O-N 2.74Å; A22-I52 HydrophobicContact CB-CD1 4.23Å; A22-I52 HydrophobicContact CB-CG2 4.17Å; A22-W141 HydrophobicContact CB-CZ2 4.2Å; A22-W141 PolarHBondContact O-NE1 3.18Å; A22-F143 HydrophobicContact CB-CD2 3.52Å; A22-F143 HydrophobicContact CB-CE2 4.03Å; A22-F143 HydrophobicContact CB-CG 4.33Å
23R96.8Very high95.6Very high82 Ų8256.2 Ų56.231%0.30927%0.266SS..Hα-helixtrans-63.2-48.3178.1-175.9-171.962.8-156.4-2.6111.9K19 R20 L21 Q25 L26 I27 I52 A53K19-R23 VanDerWaalsContact O-CB 3.29Å; K19-R23 WeakPolarHBondContact O-CB 3.5Å; K19-R23 PolarHBondContact O-N 2.68Å; R20-R23 PolarHBondContact O-N 3.36Å; L21-R23 PolarHBondContact O-N 3.05Å; R23-Q25 VanDerWaalsContact C-N 3.31Å; R23-Q25 PolarHBondContact O-N 3.02Å; R23-L26 WeakPolarHBondContact O-CB 3.49Å; R23-L26 PolarHBondContact O-N 3.46Å; R23-I27 HydrophobicContact CG-CD1 3.89Å; R23-I27 HydrophobicContact CG-CG1 4.49Å; R23-I27 WeakPolarHBondContact O-CG1 3.28Å; R23-I27 PolarHBondContact O-N 3.43Å; R23-I52 HydrophobicContact CB-CG2 3.66Å; R23-I52 HydrophobicContact CG-CG2 4.4Å; R23-A53 HydrophobicContact CG-CB 4.49Å
24D96.7Very high95.6Very high64 Ų6459.5 Ų59.534%0.34229%0.288SS..Hα-helixtrans-66.2-37.3-175.2-62.2-5000109.9R20 L21 I27 Y28R20-D24 VanDerWaalsContact CG-OD2 3.26Å; R20-D24 WeakPolarHBondContact CG-OD2 3.5Å; R20-D24 IonicContact NE-OD2 3.25Å; R20-D24 PolarHBondContact NE-OD2 3.12Å; R20-D24 WeakPolarHBondContact O-CB 3.43Å; R20-D24 PolarHBondContact O-N 2.83Å; L21-D24 PolarHBondContact O-N 3.4Å; D24-I27 PolarHBondContact O-N 3.21Å; D24-Y28 WeakPolarHBondContact O-CB 3.37Å; D24-Y28 PolarHBondContact O-N 3.24Å
25Q97.1Very high95.8Very high65 Ų6555.4 Ų55.430%0.30427%0.271SS..Hα-helixtrans-64.3-43.5171-171.3-177.411.900112.3L21 R23 I27 Y28 L29L21-Q25 WeakPolarHBondContact O-CB 3.35Å; L21-Q25 PolarHBondContact O-N 3.44Å; R23-Q25 VanDerWaalsContact C-N 3.31Å; R23-Q25 PolarHBondContact O-N 3.02Å; Q25-I27 VanDerWaalsContact C-N 3.33Å; Q25-I27 PolarHBondContact O-N 3.33Å; Q25-Y28 WeakPolarHBondContact O-CB 2.95Å; Q25-Y28 PolarHBondContact O-N 2.92Å; Q25-L29 HydrophobicContact CG-CD1 4.37Å; Q25-L29 VanDerWaalsContact O-CG 3.29Å; Q25-L29 WeakPolarHBondContact O-CG 3.25Å; Q25-L29 PolarHBondContact O-N 3.5Å
26L97.5Very high95.8Very high3 Ų362.1 Ų62.12%0.01630%0.3CS..Hα-helixtrans-61.2-44.4177.3179.162.5000111.4A22 R23 Y28 L29 L30 L49 A53 L58 W141A22-L26 PolarHBondContact O-N 2.74Å; R23-L26 WeakPolarHBondContact O-CB 3.49Å; R23-L26 PolarHBondContact O-N 3.46Å; L26-Y28 VanDerWaalsContact C-N 3.34Å; L26-Y28 PolarHBondContact O-N 2.8Å; L26-L29 PolarHBondContact O-N 2.79Å; L26-L30 HydrophobicContact CD1-CD1 4.49Å; L26-L30 HydrophobicContact CD1-CG 4.43Å; L26-L30 HydrophobicContact CG-CD1 4.17Å; L26-L30 WeakPolarHBondContact O-CG 3.47Å; L26-L30 PolarHBondContact O-N 3.06Å; L26-L49 HydrophobicContact CD2-CD1 3.38Å; L26-A53 HydrophobicContact CD2-CB 4.14Å; L26-L58 HydrophobicContact CD2-CD2 4.25Å; L26-W141 HydrophobicContact CB-CD2 4.36Å; L26-W141 HydrophobicContact CB-CZ2 3.89Å; L26-W141 HydrophobicContact CD1-CD2 4.17Å; L26-W141 HydrophobicContact CD1-CE3 4.34Å; L26-W141 HydrophobicContact CD2-CH2 4.08Å; L26-W141 HydrophobicContact CD2-CZ2 4.05Å; L26-W141 HydrophobicContact CG-CZ2 4.41Å
27I97.6Very high96.1Very high26 Ų2659 Ų5913%0.13328%0.278CS..Hα-helixtrans-57.8-49.8177-73.5169.5000110.1R23 D24 Q25 L29 L30 E31 I57 H61R23-I27 HydrophobicContact CG-CD1 3.89Å; R23-I27 HydrophobicContact CG-CG1 4.49Å; R23-I27 WeakPolarHBondContact O-CG1 3.28Å; R23-I27 PolarHBondContact O-N 3.43Å; D24-I27 PolarHBondContact O-N 3.21Å; Q25-I27 VanDerWaalsContact C-N 3.33Å; Q25-I27 PolarHBondContact O-N 3.33Å; I27-L29 VanDerWaalsContact C-N 3.3Å; I27-L29 PolarHBondContact O-N 3.15Å; I27-L30 PolarHBondContact O-N 3.45Å; I27-L30 VanDerWaalsContact O-N 3.1Å; I27-E31 HydrophobicContact CG2-CG 4.32Å; I27-E31 WeakPolarHBondContact O-CG 3.35Å; I27-E31 PolarHBondContact O-N 3.29Å; I27-I57 HydrophobicContact CD1-CG2 4.21Å; I27-H61 WeakPolarHBondContact CD1-NE2 3.34Å; I27-H61 WeakPolarHBondContact CG2-CE1 3.28Å
28Y97.7Very high96.3Very high138 Ų13854.5 Ų54.554%0.54126%0.256SS..Hα-helixtrans-54.8-45.6177.1171.5-104000112.2D24 Q25 L26 L30 E31 Q32D24-Y28 WeakPolarHBondContact O-CB 3.37Å; D24-Y28 PolarHBondContact O-N 3.24Å; Q25-Y28 WeakPolarHBondContact O-CB 2.95Å; Q25-Y28 PolarHBondContact O-N 2.92Å; L26-Y28 VanDerWaalsContact C-N 3.34Å; L26-Y28 PolarHBondContact O-N 2.8Å; Y28-L30 VanDerWaalsContact C-N 3.35Å; Y28-L30 PolarHBondContact O-N 3.29Å; Y28-E31 PolarHBondContact O-N 3.1Å; Y28-Q32 HydrophobicContact CE1-CG 4.36Å; Y28-Q32 VanDerWaalsContact CZ-NE2 3.31Å; Y28-Q32 WeakPolarHBondContact O-CG 3.32Å; Y28-Q32 PolarHBondContact O-N 3.3Å; Y28-Q32 PolarHBondContact OH-NE2 3.1Å
29L97.7Very high96.3Very high7 Ų754.3 Ų54.34%0.03726%0.255CS..Hα-helixtrans-64.9-36.5178.1-66.8171.8000113Q25 L26 I27 K112 I114 D139 E140 W141Q25-L29 HydrophobicContact CG-CD1 4.37Å; Q25-L29 VanDerWaalsContact O-CG 3.29Å; Q25-L29 WeakPolarHBondContact O-CG 3.25Å; Q25-L29 PolarHBondContact O-N 3.5Å; L26-L29 PolarHBondContact O-N 2.79Å; I27-L29 VanDerWaalsContact C-N 3.3Å; I27-L29 PolarHBondContact O-N 3.15Å; L29-K112 WeakPolarHBondContact O-CE 3.42Å; L29-K112 PolarHBondContact O-NZ 3.34Å; L29-K112 VanDerWaalsContact O-NZ 3.11Å; L29-I114 HydrophobicContact CB-CD1 3.89Å; L29-I114 HydrophobicContact CD1-CG2 3.87Å; L29-D139 HydrophobicContact CD2-CB 3.71Å; L29-E140 WeakPolarHBondContact CD1-O 3.44Å; L29-W141 HydrophobicContact CD1-CB 3.65Å; L29-W141 HydrophobicContact CD1-CG 4.17Å
30L97.4Very high96.5Very high1 Ų151.3 Ų51.31%0.00524%0.242CC..Hα-helixtrans-68.7-37175-69.5172.3000111.6L26 I27 Y28 L33 K37 L39 L58 V63 I114L26-L30 HydrophobicContact CD1-CD1 4.49Å; L26-L30 HydrophobicContact CD1-CG 4.43Å; L26-L30 HydrophobicContact CG-CD1 4.17Å; L26-L30 WeakPolarHBondContact O-CG 3.47Å; L26-L30 PolarHBondContact O-N 3.06Å; I27-L30 PolarHBondContact O-N 3.45Å; I27-L30 VanDerWaalsContact O-N 3.1Å; Y28-L30 VanDerWaalsContact C-N 3.35Å; Y28-L30 PolarHBondContact O-N 3.29Å; L30-L33 PolarHBondContact O-N 2.84Å; L30-K37 HydrophobicContact CD2-CD 4.5Å; L30-K37 PolarHBondContact O-NZ 3.25Å; L30-L39 HydrophobicContact CD2-CD1 4.36Å; L30-L58 HydrophobicContact CD1-CD2 3.85Å; L30-V63 HydrophobicContact CD1-CG2 4.34Å; L30-V63 HydrophobicContact CD2-CG2 4.32Å; L30-I114 HydrophobicContact CD2-CD1 4.35Å
31E96.5Very high96.6Very high102 Ų10244.4 Ų44.448%0.47722%0.216SC..Hα-helixtrans-74.2-24.6-179.6-71.9179.3165.100113.3I27 Y28 L33 H61I27-E31 HydrophobicContact CG2-CG 4.32Å; I27-E31 WeakPolarHBondContact O-CG 3.35Å; I27-E31 PolarHBondContact O-N 3.29Å; Y28-E31 PolarHBondContact O-N 3.1Å; E31-L33 PolarHBondContact O-N 3.12Å; E31-L33 VanDerWaalsContact O-N 3.15Å; E31-H61 IonicContact OE1-CE1 2.67Å; E31-H61 PolarHBondContact OE1-CE1 3.42Å; E31-H61 VanDerWaalsContact OE1-CE1 3.25Å; E31-H61 IonicContact OE1-CG 3.92Å; E31-H61 IonicContact OE1-ND1 3.63Å; E31-H61 PolarHBondContact OE1-ND1 3.02Å
32Q96.5Very high96.6Very high77 Ų7741.4 Ų41.436%0.3620%0.2SC..THydrogen-bonded Turntrans-61.4-17.2169.4-75.2176.8-24.500113.7Y28 P34Y28-Q32 HydrophobicContact CE1-CG 4.36Å; Y28-Q32 VanDerWaalsContact CZ-NE2 3.31Å; Y28-Q32 WeakPolarHBondContact O-CG 3.32Å; Y28-Q32 PolarHBondContact O-N 3.3Å; Y28-Q32 PolarHBondContact OH-NE2 3.1Å; Q32-P34 VanDerWaalsContact C-CD 3.49Å; Q32-P34 VanDerWaalsContact O-CD 3.25Å; Q32-P34 WeakPolarHBondContact O-CD 3.22Å
33L95.4Very high96.4Very high12 Ų1242.5 Ų42.56%0.06321%0.21CC..SBendtrans-10982.1170.5-176.864.2000108.5L30 E31 K37 Q80 C82 K110 K112L30-L33 PolarHBondContact O-N 2.84Å; E31-L33 PolarHBondContact O-N 3.12Å; E31-L33 VanDerWaalsContact O-N 3.15Å; L33-K37 HydrophobicContact CD2-CB 4.34Å; L33-K37 HydrophobicContact CD2-CD 4.32Å; L33-K37 WeakPolarHBondContact O-CE 3.4Å; L33-K37 PolarHBondContact O-NZ 3.4Å; L33-Q80 HydrophobicContact CD2-CB 4.26Å; L33-C82 HydrophobicContact CD2-CB 4.28Å; L33-K110 HydrophobicContact CD1-CB 4.09Å; L33-K110 HydrophobicContact CD1-CD 4.17Å; L33-K112 HydrophobicContact CB-CD 3.98Å; L33-K112 HydrophobicContact CD2-CB 3.87Å; L33-K112 HydrophobicContact CD2-CD 4.41Å
34P94.3Very high96.2Very high84 Ų8441 Ų4155%0.54521%0.208SC..  trans-73142.8-171.228.6-36000112.5Q32 Q80Q32-P34 VanDerWaalsContact C-CD 3.49Å; Q32-P34 VanDerWaalsContact O-CD 3.25Å; Q32-P34 WeakPolarHBondContact O-CD 3.22Å; P34-Q80 PolarHBondContact O-NE2 2.77Å; P34-Q80 PolarHBondContact O-OE1 3.44Å
35G94.4Very high96.1Very high21 Ų2138 Ų3822%0.21619%0.191CC..SBendtrans102.5175.9-176.400000112.9K37 E62G35-K37 WeakPolarHBondContact O-CE 2.9Å; G35-K37 PolarHBondContact O-N 3.4Å; G35-K37 PolarHBondContact O-NZ 3.22Å; G35-E62 VanDerWaalsContact CA-OE2 3.22Å; G35-E62 WeakPolarHBondContact CA-OE2 3.3Å; G35-E62 PolarHBondContact N-OE2 3.27Å; G35-E62 VanDerWaalsContact O-CB 3.32Å; G35-E62 WeakPolarHBondContact O-CB 3.5Å
36K96.4Very high96Very high151 Ų15138.8 Ų38.866%0.65720%0.196SC*.  trans-62.7130.3178.4-67.4-172.2178.6-174.50111.3E62K36-E62 WeakPolarHBondContact CA-O 3.36Å
37K96.9Very high95.7Very high1 Ų139.8 Ų39.80%0.00420%0.204CC..EExtended strand (participates in β ladder)trans-135152.4178.170.9-146.966145.30111.7L30 L33 G35 H61 E62 V63 D64 Q80L30-K37 HydrophobicContact CD2-CD 4.5Å; L30-K37 PolarHBondContact O-NZ 3.25Å; L33-K37 HydrophobicContact CD2-CB 4.34Å; L33-K37 HydrophobicContact CD2-CD 4.32Å; L33-K37 WeakPolarHBondContact O-CE 3.4Å; L33-K37 PolarHBondContact O-NZ 3.4Å; G35-K37 WeakPolarHBondContact O-CE 2.9Å; G35-K37 PolarHBondContact O-N 3.4Å; G35-K37 PolarHBondContact O-NZ 3.22Å; K37-H61 PolarHBondContact NZ-O 2.71Å; K37-H61 VanDerWaalsContact NZ-O 3.1Å; K37-E62 PolarHBondContact N-O 3.17Å; K37-V63 HydrophobicContact CD-CG2 4.5Å; K37-V63 HydrophobicContact CG-CG2 4.25Å; K37-V63 CarbonylContact O-C 3.49Å; K37-V63 WeakPolarHBondContact O-CA 3.41Å; K37-D64 PolarHBondContact O-N 3.46Å; K37-Q80 WeakPolarHBondContact CA-O 3.36Å; K37-Q80 HydrophobicContact CB-CB 3.83Å
38D97.2Very high95.6Very high1 Ų138.6 Ų38.61%0.00520%0.198CC..EExtended strand (participates in β ladder)trans-98.7134.3167.8-77.8-13.3000109.2F40 K65 Y67 S76 S78 Q80 L81 C82D38-F40 HydrophobicContact CB-CE2 4.12Å; D38-K65 WeakPolarHBondContact OD1-CB 3.41Å; D38-K65 PolarHBondContact OD1-N 2.87Å; D38-Y67 HydrophobicContact CB-CD2 4.16Å; D38-Y67 HydrophobicContact CB-CE2 3.83Å; D38-Y67 WeakPolarHBondContact OD2-CE2 3.45Å; D38-S76 WeakPolarHBondContact OD2-CB 3.43Å; D38-S76 PolarHBondContact OD2-OG 2.91Å; D38-S78 WeakPolarHBondContact OD2-CB 3.4Å; D38-Q80 PolarHBondContact N-O 3.49Å; D38-L81 HydrophobicContact CB-CD2 4.32Å; D38-C82 PolarHBondContact O-N 3.03Å
39L97.3Very high95.5Very high2 Ų232.4 Ų32.41%0.0117%0.174CC..EExtended strand (participates in β ladder)trans-106.3120.4-176.4-177.864.1000110.8L30 I41 L58 V63 K65 L66 Y67 C82 L84L30-L39 HydrophobicContact CD2-CD1 4.36Å; L39-I41 HydrophobicContact CD2-CD1 4.02Å; L39-I41 HydrophobicContact CD2-CG1 4.05Å; L39-I41 HydrophobicContact CG-CD1 4.25Å; L39-I41 HydrophobicContact CG-CG1 3.86Å; L39-L58 HydrophobicContact CD2-CD1 4.31Å; L39-L58 HydrophobicContact CD2-CD2 4.37Å; L39-V63 HydrophobicContact CB-CG1 3.58Å; L39-V63 HydrophobicContact CB-CG2 4.37Å; L39-V63 HydrophobicContact CD2-CG1 4.4Å; L39-V63 HydrophobicContact CD2-CG2 4.44Å; L39-K65 PolarHBondContact N-O 3Å; L39-L66 CarbonylContact O-C 3.5Å; L39-L66 WeakPolarHBondContact O-CA 3.48Å; L39-Y67 PolarHBondContact O-N 3.26Å; L39-C82 CarbonylContact C-O 3.49Å; L39-C82 WeakPolarHBondContact CA-O 3.24Å; L39-C82 HydrophobicContact CD1-CB 3.96Å; L39-L84 HydrophobicContact CD1-CB 4.22Å
40F97.1Very high95.3Very high4 Ų436.1 Ų36.12%0.01819%0.193CC..EExtended strand (participates in β ladder)trans-101122.4175.5-68.6-102.6000109.2D38 Y67 V69 A74 L81 C82 F83 L84D38-F40 HydrophobicContact CB-CE2 4.12Å; F40-Y67 CarbonylContact C-O 3.49Å; F40-Y67 WeakPolarHBondContact CA-O 3.09Å; F40-Y67 VanDerWaalsContact CD1-CB 3.47Å; F40-Y67 HydrophobicContact CD1-CD2 4.49Å; F40-Y67 HydrophobicContact CD1-CG 4.16Å; F40-Y67 HydrophobicContact CD2-CD2 4.43Å; F40-Y67 HydrophobicContact CE1-CD1 4.4Å; F40-Y67 HydrophobicContact CE1-CD2 4.02Å; F40-Y67 AromaticContact CE1-CG 3.75Å; F40-Y67 HydrophobicContact CE1-CG 3.75Å; F40-Y67 AromaticContact CE2-CD2 3.93Å; F40-Y67 HydrophobicContact CE2-CD2 3.93Å; F40-Y67 HydrophobicContact CE2-CG 4.48Å; F40-Y67 AromaticContact CZ-CD2 3.7Å; F40-Y67 HydrophobicContact CZ-CD2 3.7Å; F40-Y67 HydrophobicContact CZ-CE2 4.25Å; F40-Y67 AromaticContact CZ-CG 3.91Å; F40-Y67 HydrophobicContact CZ-CG 3.91Å; F40-V69 HydrophobicContact CB-CG2 3.88Å; F40-A74 HydrophobicContact CE1-CB 3.67Å; F40-A74 HydrophobicContact CZ-CB 3.72Å; F40-L81 HydrophobicContact CE2-CB 4.31Å; F40-L81 HydrophobicContact CE2-CD2 4.05Å; F40-C82 PolarHBondContact N-O 3.11Å; F40-F83 HydrophobicContact CB-CD1 3.5Å; F40-F83 VanDerWaalsContact CB-CD1 3.5Å; F40-F83 HydrophobicContact CB-CE1 3.85Å; F40-F83 HydrophobicContact CB-CG 4.29Å; F40-F83 HydrophobicContact CD1-CE1 4.16Å; F40-F83 HydrophobicContact CD2-CD1 4.3Å; F40-F83 AromaticContact CD2-CE1 3.97Å; F40-F83 HydrophobicContact CD2-CE1 3.97Å; F40-F83 HydrophobicContact CD2-CZ 4.34Å; F40-F83 AromaticContact CG-CD1 3.91Å; F40-F83 HydrophobicContact CG-CD1 3.91Å; F40-F83 AromaticContact CG-CE1 3.72Å; F40-F83 HydrophobicContact CG-CE1 3.72Å; F40-F83 CarbonylContact O-C 3.59Å; F40-F83 WeakPolarHBondContact O-CA 3.29Å; F40-L84 PolarHBondContact O-N 3.32Å
41I96.7Very high95Very high7 Ų737.7 Ų37.74%0.03620%0.199CC..EExtended strand (participates in β ladder)trans-118.9129.4-173.7-53.1158.9000109.4L39 L45 M46 L49 L66 Y67 K68 V69 L84L39-I41 HydrophobicContact CD2-CD1 4.02Å; L39-I41 HydrophobicContact CD2-CG1 4.05Å; L39-I41 HydrophobicContact CG-CD1 4.25Å; L39-I41 HydrophobicContact CG-CG1 3.86Å; I41-L45 HydrophobicContact CG2-CB 4.04Å; I41-M46 HydrophobicContact CB-CG 4.25Å; I41-M46 HydrophobicContact CG2-CG 3.81Å; I41-L49 HydrophobicContact CD1-CD2 3.46Å; I41-L49 VanDerWaalsContact CD1-CD2 3.46Å; I41-L49 HydrophobicContact CG1-CD2 4.14Å; I41-L49 HydrophobicContact CG2-CD2 4.35Å; I41-L66 HydrophobicContact CD1-CD2 3.85Å; I41-Y67 PolarHBondContact N-O 3.45Å; I41-K68 WeakPolarHBondContact O-CA 3.47Å; I41-V69 PolarHBondContact O-N 3.15Å; I41-L84 HydrophobicContact CG1-CB 4.5Å; I41-L84 HydrophobicContact CG2-CD2 4.31Å
42E95Very high94.9Very high14 Ų1433.5 Ų33.57%0.06518%0.18CC..  trans-64.5142.2171.4-177166.2-165.700111.7D44 L45 M46 L84 V85 R86 R88 N91E42-D44 PolarHBondContact O-N 3.07Å; E42-D44 VanDerWaalsContact O-N 3.09Å; E42-L45 HydrophobicContact CB-CD1 4.41Å; E42-L45 PolarHBondContact O-N 3.25Å; E42-M46 PolarHBondContact O-N 2.96Å; E42-L84 PolarHBondContact N-O 3.26Å; E42-V85 HydrophobicContact CB-CG1 4.34Å; E42-R86 VanDerWaalsContact OE2-CB 3.3Å; E42-R86 WeakPolarHBondContact OE2-CB 3.49Å; E42-R86 PolarHBondContact OE2-N 2.63Å; E42-R88 WeakPolarHBondContact OE1-CD 3.4Å; E42-R88 IonicContact OE1-CZ 3.71Å; E42-R88 IonicContact OE1-NE 2.71Å; E42-R88 IonicContact OE1-NH1 2.88Å; E42-R88 PolarHBondContact OE1-NH1 3.42Å; E42-N91 PolarHBondContact OE1-ND2 2.95Å; E42-N91 PolarHBondContact OE2-ND2 3.06Å
43A92.9Very high94.8Very high31 Ų3130 Ų3026%0.25616%0.164SC..Hα-helixtrans-53-36.1-174.100000114.2L45 K68A43-L45 VanDerWaalsContact C-N 3.3Å; A43-K68 VanDerWaalsContact CB-CE 3.43Å
44D92Very high94.6Very high50 Ų5032.9 Ų32.927%0.26718%0.18SC..Hα-helixtrans-73.5-25.4-178.4-62.3-21.5000111.8E42 P48 R88E42-D44 PolarHBondContact O-N 3.07Å; E42-D44 VanDerWaalsContact O-N 3.09Å; D44-P48 WeakPolarHBondContact O-CD 3.48Å; D44-P48 WeakPolarHBondContact O-CG 3.3Å; D44-R88 IonicContact OD2-CZ 3.12Å; D44-R88 IonicContact OD2-NH1 3.97Å; D44-R88 PolarHBondContact OD2-NH1 2.82Å; D44-R88 IonicContact OD2-NH2 3.91Å; D44-R88 PolarHBondContact OD2-NH2 3.43Å
45L94.9Very high94.5Very high1 Ų132.2 Ų32.21%0.00517%0.174CC..Hα-helixtrans-91.1-13.8179.7-69.9173.3000113.7I41 E42 A43 S47 P48 L49 L84 R86I41-L45 HydrophobicContact CG2-CB 4.04Å; E42-L45 HydrophobicContact CB-CD1 4.41Å; E42-L45 PolarHBondContact O-N 3.25Å; A43-L45 VanDerWaalsContact C-N 3.3Å; L45-S47 PolarHBondContact O-N 2.63Å; L45-P48 WeakPolarHBondContact O-CD 3.45Å; L45-L49 WeakPolarHBondContact O-CB 3.39Å; L45-L49 PolarHBondContact O-N 3.14Å; L45-L84 HydrophobicContact CD1-CD1 4.25Å; L45-L84 HydrophobicContact CD1-CG 4.02Å; L45-R86 HydrophobicContact CD1-CG 4.44Å; L45-R86 HydrophobicContact CG-CG 4.45Å
46M93.7Very high94.6Very high81 Ų8134.9 Ų34.940%0.39919%0.189SC..Hα-helixtrans-60.8-47.9-179-64.9-175.470.600112.7I41 E42 L49 D50 K68I41-M46 HydrophobicContact CB-CG 4.25Å; I41-M46 HydrophobicContact CG2-CG 3.81Å; E42-M46 PolarHBondContact O-N 2.96Å; M46-L49 PolarHBondContact O-N 3.46Å; M46-D50 PolarHBondContact O-N 3.02Å; M46-D50 VanDerWaalsContact O-N 3.1Å; M46-K68 HydrophobicContact SD-CB 4.35Å; M46-K68 HydrophobicContact SD-CD 4.18Å; M46-K68 HydrophobicContact SD-CG 3.99Å
47S93.1Very high94.5Very high25 Ų2529.3 Ų29.318%0.17517%0.167CC..Hα-helixtrans-70.9-42.8-178.8-54.90000112.7L45 L49 D50 R51 K258 C259L45-S47 PolarHBondContact O-N 2.63Å; S47-L49 VanDerWaalsContact C-N 3.34Å; S47-L49 PolarHBondContact O-N 3.45Å; S47-D50 PolarHBondContact O-N 3.13Å; S47-R51 WeakPolarHBondContact O-CG 3.29Å; S47-K258 WeakPolarHBondContact OG-CE 3.43Å; S47-C259 WeakPolarHBondContact CB-SG 3.39Å
48P94.7Very high94.5Very high1 Ų129.5 Ų29.51%0.00617%0.167CC..Hα-helixtrans-59.9-40.7170.4-25.434.3000113.1D44 L45 D50 R51 F143 L146 E156 C259D44-P48 WeakPolarHBondContact O-CD 3.48Å; D44-P48 WeakPolarHBondContact O-CG 3.3Å; L45-P48 WeakPolarHBondContact O-CD 3.45Å; P48-D50 PolarHBondContact O-N 3.17Å; P48-R51 WeakPolarHBondContact O-CB 3.47Å; P48-R51 PolarHBondContact O-N 3.16Å; P48-F143 HydrophobicContact CB-CE1 3.73Å; P48-F143 HydrophobicContact CB-CZ 4.31Å; P48-L146 HydrophobicContact CB-CD2 4.24Å; P48-E156 HydrophobicContact CG-CB 3.95Å; P48-E156 HydrophobicContact CG-CG 4.12Å; P48-C259 WeakPolarHBondContact CD-SG 3.33Å
49L95Very high94.5Very high7 Ų735.2 Ų35.24%0.03719%0.192CC..Hα-helixtrans-62.6-43.4178.7178.964.8000112.2L26 I41 L45 M46 S47 R51 I52 A53 L58 L84 W141L26-L49 HydrophobicContact CD2-CD1 3.38Å; I41-L49 HydrophobicContact CD1-CD2 3.46Å; I41-L49 VanDerWaalsContact CD1-CD2 3.46Å; I41-L49 HydrophobicContact CG1-CD2 4.14Å; I41-L49 HydrophobicContact CG2-CD2 4.35Å; L45-L49 WeakPolarHBondContact O-CB 3.39Å; L45-L49 PolarHBondContact O-N 3.14Å; M46-L49 PolarHBondContact O-N 3.46Å; S47-L49 VanDerWaalsContact C-N 3.34Å; S47-L49 PolarHBondContact O-N 3.45Å; L49-R51 PolarHBondContact O-N 3.19Å; L49-R51 VanDerWaalsContact O-N 3.1Å; L49-I52 PolarHBondContact O-N 3.27Å; L49-A53 HydrophobicContact CD1-CB 4.21Å; L49-A53 PolarHBondContact O-N 2.98Å; L49-L58 HydrophobicContact CD2-CD1 4.03Å; L49-L84 HydrophobicContact CD1-CD2 4.28Å; L49-L84 HydrophobicContact CD2-CD2 4.05Å; L49-W141 HydrophobicContact CD1-CH2 4.18Å
50D93.1Very high94.5Very high85 Ų8542 Ų4246%0.45522%0.224SC..Hα-helixtrans-58.2-25.7178-168.442.8000112.5M46 S47 P48 K276M46-D50 PolarHBondContact O-N 3.02Å; M46-D50 VanDerWaalsContact O-N 3.1Å; S47-D50 PolarHBondContact O-N 3.13Å; P48-D50 PolarHBondContact O-N 3.17Å; D50-K276 IonicContact OD2-NZ 3.81Å; D50-K276 PolarHBondContact OD2-NZ 3.5Å
51R92.9Very high94.5Very high34 Ų3443.3 Ų43.313%0.12823%0.23CC..THydrogen-bonded Turntrans-79-16.4175.7-63.5-75.2-57.2-114.95.2113.9S47 P48 L49 L146 P147 L148 C259S47-R51 WeakPolarHBondContact O-CG 3.29Å; P48-R51 WeakPolarHBondContact O-CB 3.47Å; P48-R51 PolarHBondContact O-N 3.16Å; L49-R51 PolarHBondContact O-N 3.19Å; L49-R51 VanDerWaalsContact O-N 3.1Å; R51-L146 HydrophobicContact CB-CD1 3.67Å; R51-L146 HydrophobicContact CB-CD2 4.25Å; R51-L146 HydrophobicContact CG-CD1 4.4Å; R51-L146 HydrophobicContact CG-CD2 4.21Å; R51-P147 PolarHBondContact NH2-O 2.74Å; R51-L148 PolarHBondContact NH1-O 3.16Å; R51-L148 PolarHBondContact NH2-O 3Å; R51-C259 HydrophobicContact CG-CB 4.35Å; R51-C259 PolarHBondContact NH1-O 3.05Å
52I94.1Very high94.4Very high14 Ų1447.3 Ų47.37%0.07225%0.249CC..THydrogen-bonded Turntrans-111.7-50.2-174.1-59.9-60.5000111.6K19 A22 R23 L49 W141 F143 L146K19-I52 HydrophobicContact CB-CD1 3.98Å; K19-I52 HydrophobicContact CG-CD1 3.87Å; A22-I52 HydrophobicContact CB-CD1 4.23Å; A22-I52 HydrophobicContact CB-CG2 4.17Å; R23-I52 HydrophobicContact CB-CG2 3.66Å; R23-I52 HydrophobicContact CG-CG2 4.4Å; L49-I52 PolarHBondContact O-N 3.27Å; I52-W141 HydrophobicContact CG2-CH2 4.48Å; I52-W141 HydrophobicContact CG2-CZ2 4.09Å; I52-F143 HydrophobicContact CD1-CE2 3.71Å; I52-F143 HydrophobicContact CD1-CZ 3.92Å; I52-F143 HydrophobicContact CG1-CE1 4.25Å; I52-F143 HydrophobicContact CG1-CE2 3.78Å; I52-F143 HydrophobicContact CG1-CZ 3.57Å; I52-L146 HydrophobicContact CD1-CD1 3.75Å; I52-L146 HydrophobicContact CG1-CD1 4.26Å
53A93.9Very high94.5Very high3 Ų346.8 Ų46.83%0.02525%0.246CC..  trans-140.7108.4-176.700000110.2R23 L26 L49 I57 L58R23-A53 HydrophobicContact CG-CB 4.49Å; L26-A53 HydrophobicContact CD2-CB 4.14Å; L49-A53 HydrophobicContact CD1-CB 4.21Å; L49-A53 PolarHBondContact O-N 2.98Å; A53-I57 HydrophobicContact CB-CB 4.42Å; A53-I57 HydrophobicContact CB-CG2 4.11Å; A53-L58 HydrophobicContact CB-CD2 4.09Å; A53-L58 HydrophobicContact CB-CG 4.36Å
54N90.9Very high94.7Very high73 Ų7349.1 Ų49.139%0.3925%0.254SS..  trans-71.8169.317567.924.2000111.5S56 I57 L58N54-S56 PolarHBondContact O-N 3.48Å; N54-S56 VanDerWaalsContact O-N 3.14Å; N54-S56 WeakPolarHBondContact OD1-CB 3.5Å; N54-S56 PolarHBondContact OD1-N 3.43Å; N54-S56 VanDerWaalsContact OD1-N 3.15Å; N54-I57 PolarHBondContact O-N 3.29Å; N54-I57 WeakPolarHBondContact OD1-CG1 3.33Å; N54-I57 PolarHBondContact OD1-N 3.2Å; N54-L58 PolarHBondContact O-N 3.31Å; N54-L58 VanDerWaalsContact O-N 3.09Å
55V93.3Very high94.8Very high70 Ų7050.8 Ų50.842%0.42426%0.259SS..Hα-helixtrans-55.1-34.8-180177.40000112.5L58 K59 L66V55-L58 PolarHBondContact O-N 2.75Å; V55-K59 HydrophobicContact CG1-CD 4.14Å; V55-K59 HydrophobicContact CG1-CG 4.32Å; V55-K59 WeakPolarHBondContact O-CB 3.41Å; V55-K59 WeakPolarHBondContact O-CG 3.18Å; V55-K59 PolarHBondContact O-N 3.09Å; V55-L66 HydrophobicContact CG1-CD1 4.03Å; V55-L66 HydrophobicContact CG2-CD2 4.32Å
56S94.9Very high94.8Very high77 Ų7753.8 Ų53.854%0.53828%0.275SS..Hα-helixtrans-64.4-43.3178.5-57.90000112.1N54 K59 Q60N54-S56 PolarHBondContact O-N 3.48Å; N54-S56 VanDerWaalsContact O-N 3.14Å; N54-S56 WeakPolarHBondContact OD1-CB 3.5Å; N54-S56 PolarHBondContact OD1-N 3.43Å; N54-S56 VanDerWaalsContact OD1-N 3.15Å; S56-K59 PolarHBondContact O-N 2.87Å; S56-Q60 WeakPolarHBondContact O-CG 3.32Å; S56-Q60 PolarHBondContact O-N 2.87Å
57I95.8Very high94.8Very high35 Ų3552.7 Ų52.718%0.17927%0.267CS..Hα-helixtrans-63.7-48175.6-67.4164.8000109.8I27 A53 N54 K59 Q60 H61I27-I57 HydrophobicContact CD1-CG2 4.21Å; A53-I57 HydrophobicContact CB-CB 4.42Å; A53-I57 HydrophobicContact CB-CG2 4.11Å; N54-I57 PolarHBondContact O-N 3.29Å; N54-I57 WeakPolarHBondContact OD1-CG1 3.33Å; N54-I57 PolarHBondContact OD1-N 3.2Å; I57-K59 VanDerWaalsContact C-N 3.29Å; I57-K59 PolarHBondContact O-N 3.03Å; I57-Q60 WeakPolarHBondContact O-CB 3.24Å; I57-Q60 PolarHBondContact O-N 2.79Å; I57-H61 PolarHBondContact O-CD2 2.82Å; I57-H61 VanDerWaalsContact O-CD2 3.25Å
58L96.9Very high94.9Very high4 Ų456.5 Ų56.52%0.02128%0.28CS..Hα-helixtrans-58.8-41.7-179.7-62.7171.8000112L26 L30 L39 L49 A53 N54 V55 Q60 H61 V63 L66L26-L58 HydrophobicContact CD2-CD2 4.25Å; L30-L58 HydrophobicContact CD1-CD2 3.85Å; L39-L58 HydrophobicContact CD2-CD1 4.31Å; L39-L58 HydrophobicContact CD2-CD2 4.37Å; L49-L58 HydrophobicContact CD2-CD1 4.03Å; A53-L58 HydrophobicContact CB-CD2 4.09Å; A53-L58 HydrophobicContact CB-CG 4.36Å; N54-L58 PolarHBondContact O-N 3.31Å; N54-L58 VanDerWaalsContact O-N 3.09Å; V55-L58 PolarHBondContact O-N 2.75Å; L58-Q60 VanDerWaalsContact C-N 3.29Å; L58-Q60 PolarHBondContact O-N 3.01Å; L58-H61 CarbonylContact O-C 3.55Å; L58-H61 PolarHBondContact O-N 2.99Å; L58-H61 VanDerWaalsContact O-N 3.12Å; L58-V63 HydrophobicContact CB-CB 4.22Å; L58-V63 HydrophobicContact CB-CG2 4.26Å; L58-V63 WeakPolarHBondContact O-CB 3.32Å; L58-V63 WeakPolarHBondContact O-CG2 3.44Å; L58-V63 PolarHBondContact O-N 3.21Å; L58-L66 HydrophobicContact CD1-CD2 3.73Å
59K96.5Very high94.7Very high122 Ų12257.2 Ų57.253%0.5329%0.285SS..Hα-helixtrans-64.5-28.7176-76.6-173.9172.6-1660113.9V55 S56 I57 H61 E62 V63V55-K59 HydrophobicContact CG1-CD 4.14Å; V55-K59 HydrophobicContact CG1-CG 4.32Å; V55-K59 WeakPolarHBondContact O-CB 3.41Å; V55-K59 WeakPolarHBondContact O-CG 3.18Å; V55-K59 PolarHBondContact O-N 3.09Å; S56-K59 PolarHBondContact O-N 2.87Å; I57-K59 VanDerWaalsContact C-N 3.29Å; I57-K59 PolarHBondContact O-N 3.03Å; K59-H61 PolarHBondContact O-N 3.31Å; K59-E62 PolarHBondContact O-N 3.33Å; K59-V63 WeakPolarHBondContact CG-O 3.41Å
60Q96.8Very high94.2Very high143 Ų14360.9 Ų60.967%0.66830%0.301SS*.Hα-helixtrans-66.1-26.5174.7-71.5167.4-200111.9S56 I57 L58S56-Q60 WeakPolarHBondContact O-CG 3.32Å; S56-Q60 PolarHBondContact O-N 2.87Å; I57-Q60 WeakPolarHBondContact O-CB 3.24Å; I57-Q60 PolarHBondContact O-N 2.79Å; L58-Q60 VanDerWaalsContact C-N 3.29Å; L58-Q60 PolarHBondContact O-N 3.01Å
61H96.7Very high93.4Very high33 Ų3361.4 Ų61.415%0.15330%0.304CS..THydrogen-bonded Turntrans-103.537178.7-57.4-75.6000112.5I27 E31 K37 I57 L58 K59 V63I27-H61 WeakPolarHBondContact CD1-NE2 3.34Å; I27-H61 WeakPolarHBondContact CG2-CE1 3.28Å; E31-H61 IonicContact OE1-CE1 2.67Å; E31-H61 PolarHBondContact OE1-CE1 3.42Å; E31-H61 VanDerWaalsContact OE1-CE1 3.25Å; E31-H61 IonicContact OE1-CG 3.92Å; E31-H61 IonicContact OE1-ND1 3.63Å; E31-H61 PolarHBondContact OE1-ND1 3.02Å; K37-H61 PolarHBondContact NZ-O 2.71Å; K37-H61 VanDerWaalsContact NZ-O 3.1Å; I57-H61 PolarHBondContact O-CD2 2.82Å; I57-H61 VanDerWaalsContact O-CD2 3.25Å; L58-H61 CarbonylContact O-C 3.55Å; L58-H61 PolarHBondContact O-N 2.99Å; L58-H61 VanDerWaalsContact O-N 3.12Å; K59-H61 PolarHBondContact O-N 3.31Å; H61-V63 VanDerWaalsContact C-N 3.31Å; H61-V63 PolarHBondContact O-N 3.32Å
62E96.2Very high92.8Very high91 Ų9165.8 Ų65.843%0.42532%0.324SS..THydrogen-bonded Turntrans65.123171.1-51.4-175.6111.300115.8G35 K36 K37 K59 D64G35-E62 VanDerWaalsContact CA-OE2 3.22Å; G35-E62 WeakPolarHBondContact CA-OE2 3.3Å; G35-E62 PolarHBondContact N-OE2 3.27Å; G35-E62 VanDerWaalsContact O-CB 3.32Å; G35-E62 WeakPolarHBondContact O-CB 3.5Å; K36-E62 WeakPolarHBondContact CA-O 3.36Å; K37-E62 PolarHBondContact N-O 3.17Å; K59-E62 PolarHBondContact O-N 3.33Å; E62-D64 PolarHBondContact O-N 3.24Å
63V97.2Very high91.8Very high3 Ų370.9 Ų70.92%0.01836%0.358CS..EExtended strand (participates in β ladder)trans-78.6113.2166.4-179.80000109.4L30 K37 L39 L58 K59 H61 L66L30-V63 HydrophobicContact CD1-CG2 4.34Å; L30-V63 HydrophobicContact CD2-CG2 4.32Å; K37-V63 HydrophobicContact CD-CG2 4.5Å; K37-V63 HydrophobicContact CG-CG2 4.25Å; K37-V63 CarbonylContact O-C 3.49Å; K37-V63 WeakPolarHBondContact O-CA 3.41Å; L39-V63 HydrophobicContact CB-CG1 3.58Å; L39-V63 HydrophobicContact CB-CG2 4.37Å; L39-V63 HydrophobicContact CD2-CG1 4.4Å; L39-V63 HydrophobicContact CD2-CG2 4.44Å; L58-V63 HydrophobicContact CB-CB 4.22Å; L58-V63 HydrophobicContact CB-CG2 4.26Å; L58-V63 WeakPolarHBondContact O-CB 3.32Å; L58-V63 WeakPolarHBondContact O-CG2 3.44Å; L58-V63 PolarHBondContact O-N 3.21Å; K59-V63 WeakPolarHBondContact CG-O 3.41Å; H61-V63 VanDerWaalsContact C-N 3.31Å; H61-V63 PolarHBondContact O-N 3.32Å; V63-L66 HydrophobicContact CG1-CD1 4.24Å; V63-L66 HydrophobicContact CG1-CG 4.25Å
64D95.6Very high90.8Very high79 Ų7971.7 Ų71.742%0.42237%0.365SS..EExtended strand (participates in β ladder)trans-80.9-59.2-179.6-17338.5000111.1K37 E62K37-D64 PolarHBondContact O-N 3.46Å; E62-D64 PolarHBondContact O-N 3.24Å
65K95.4Very high90Very high86 Ų8675.8 Ų75.837%0.37439%0.386SS..EExtended strand (participates in β ladder)trans-122.5149.6179.4-61.5173.4-172.5168.90112D38 L39 Y67D38-K65 WeakPolarHBondContact OD1-CB 3.41Å; D38-K65 PolarHBondContact OD1-N 2.87Å; L39-K65 PolarHBondContact N-O 3Å; K65-Y67 HydrophobicContact CB-CD2 4.3Å; K65-Y67 HydrophobicContact CB-CE2 3.53Å; K65-Y67 HydrophobicContact CD-CE2 4.34Å; K65-Y67 VanDerWaalsContact CD-OH 3.26Å; K65-Y67 WeakPolarHBondContact CD-OH 3.39Å
66L94.7Very high89.5Confident63 Ų6372.8 Ų72.833%0.3337%0.368SS..EExtended strand (participates in β ladder)trans-110.5130.9174.6-64.688.2000109L39 I41 V55 L58 V63L39-L66 CarbonylContact O-C 3.5Å; L39-L66 WeakPolarHBondContact O-CA 3.48Å; I41-L66 HydrophobicContact CD1-CD2 3.85Å; V55-L66 HydrophobicContact CG1-CD1 4.03Å; V55-L66 HydrophobicContact CG2-CD2 4.32Å; L58-L66 HydrophobicContact CD1-CD2 3.73Å; V63-L66 HydrophobicContact CG1-CD1 4.24Å; V63-L66 HydrophobicContact CG1-CG 4.25Å
67Y93.7Very high89.1Confident59 Ų5973.5 Ų73.523%0.23137%0.373CS..EExtended strand (participates in β ladder)trans-122.3146.9177.8-64.3-86.5000109.5D38 L39 F40 I41 K65D38-Y67 HydrophobicContact CB-CD2 4.16Å; D38-Y67 HydrophobicContact CB-CE2 3.83Å; D38-Y67 WeakPolarHBondContact OD2-CE2 3.45Å; L39-Y67 PolarHBondContact O-N 3.26Å; F40-Y67 CarbonylContact C-O 3.49Å; F40-Y67 WeakPolarHBondContact CA-O 3.09Å; F40-Y67 VanDerWaalsContact CD1-CB 3.47Å; F40-Y67 HydrophobicContact CD1-CD2 4.49Å; F40-Y67 HydrophobicContact CD1-CG 4.16Å; F40-Y67 HydrophobicContact CD2-CD2 4.43Å; F40-Y67 HydrophobicContact CE1-CD1 4.4Å; F40-Y67 HydrophobicContact CE1-CD2 4.02Å; F40-Y67 AromaticContact CE1-CG 3.75Å; F40-Y67 HydrophobicContact CE1-CG 3.75Å; F40-Y67 AromaticContact CE2-CD2 3.93Å; F40-Y67 HydrophobicContact CE2-CD2 3.93Å; F40-Y67 HydrophobicContact CE2-CG 4.48Å; F40-Y67 AromaticContact CZ-CD2 3.7Å; F40-Y67 HydrophobicContact CZ-CD2 3.7Å; F40-Y67 HydrophobicContact CZ-CE2 4.25Å; F40-Y67 AromaticContact CZ-CG 3.91Å; F40-Y67 HydrophobicContact CZ-CG 3.91Å; I41-Y67 PolarHBondContact N-O 3.45Å; K65-Y67 HydrophobicContact CB-CD2 4.3Å; K65-Y67 HydrophobicContact CB-CE2 3.53Å; K65-Y67 HydrophobicContact CD-CE2 4.34Å; K65-Y67 VanDerWaalsContact CD-OH 3.26Å; K65-Y67 WeakPolarHBondContact CD-OH 3.39Å
68K93.7Very high89Confident104 Ų10472.6 Ų72.645%0.45237%0.37SS..EExtended strand (participates in β ladder)trans-81.6136.5164.7-173.9178.6-180-175.90108.2I41 A43 M46 E70I41-K68 WeakPolarHBondContact O-CA 3.47Å; A43-K68 VanDerWaalsContact CB-CE 3.43Å; M46-K68 HydrophobicContact SD-CB 4.35Å; M46-K68 HydrophobicContact SD-CD 4.18Å; M46-K68 HydrophobicContact SD-CG 3.99Å; K68-E70 HydrophobicContact CB-CG 4.48Å; K68-E70 HydrophobicContact CD-CG 4.49Å; K68-E70 HydrophobicContact CG-CG 4.37Å; K68-E70 PolarHBondContact O-N 3.41Å
69V91.5Very high88.9Confident17 Ų1778.1 Ų78.110%0.10340%0.396CS..  trans-66.1109.3169.2176.20000108F40 I41 V85 Y94F40-V69 HydrophobicContact CB-CG2 3.88Å; I41-V69 PolarHBondContact O-N 3.15Å; V69-V85 HydrophobicContact CG2-CG1 4.08Å; V69-Y94 HydrophobicContact CG1-CD1 3.89Å; V69-Y94 HydrophobicContact CG1-CE1 3.92Å
70E84.3Confident88.9Confident83 Ų8373.4 Ų73.439%0.38838%0.375SS..  trans-119.8141.3170-60-167.8167.600106.7K68 K72 Y94K68-E70 HydrophobicContact CB-CG 4.48Å; K68-E70 HydrophobicContact CD-CG 4.49Å; K68-E70 HydrophobicContact CG-CG 4.37Å; K68-E70 PolarHBondContact O-N 3.41Å; E70-K72 HydrophobicContact CB-CB 4.44Å; E70-K72 HydrophobicContact CB-CD 4.34Å; E70-K72 HydrophobicContact CB-CG 4.32Å; E70-K72 PolarHBondContact O-N 3.03Å; E70-K72 WeakPolarHBondContact OE2-CE 3.43Å; E70-K72 IonicContact OE2-NZ 2.84Å; E70-K72 PolarHBondContact OE2-NZ 2.97Å; E70-Y94 VanDerWaalsContact O-CE2 3.24Å; E70-Y94 WeakPolarHBondContact O-CE2 3.44Å; E70-Y94 PolarHBondContact O-OH 3.37Å
71N76.5Confident88.8Confident96 Ų9666.6 Ų66.651%0.51334%0.343SS..SBendtrans-68.556175.3-79.327.2000111.5K90N71-K90 WeakPolarHBondContact ND2-CE 3.33Å; N71-K90 WeakPolarHBondContact OD1-CE 3.4Å
72K79.3Confident88.9Confident126 Ų12665 Ų6555%0.54834%0.336SS..SBendtrans-137.5150.7-177.3-65179.3-172157.40108.3E70 A74 Y94E70-K72 HydrophobicContact CB-CB 4.44Å; E70-K72 HydrophobicContact CB-CD 4.34Å; E70-K72 HydrophobicContact CB-CG 4.32Å; E70-K72 PolarHBondContact O-N 3.03Å; E70-K72 WeakPolarHBondContact OE2-CE 3.43Å; E70-K72 IonicContact OE2-NZ 2.84Å; E70-K72 PolarHBondContact OE2-NZ 2.97Å; K72-A74 PolarHBondContact O-N 3.46Å; K72-Y94 WeakPolarHBondContact O-CE2 3.36Å; K72-Y94 PolarHBondContact O-OH 3.02Å
73P74Confident89Confident121 Ų12160.7 Ų60.779%0.78632%0.316SS*.  trans-53.8131.7177.6-23.933.3000111.4L75P73-L75 PolarHBondContact O-N 3.45Å
74A73.2Confident89Confident20 Ų2060.5 Ų60.517%0.16532%0.315CS..  trans-73.6125.1178.100000110.9F40 K72 S76 L98F40-A74 HydrophobicContact CE1-CB 3.67Å; F40-A74 HydrophobicContact CZ-CB 3.72Å; K72-A74 PolarHBondContact O-N 3.46Å; A74-S76 VanDerWaalsContact C-N 3.25Å; A74-S76 PolarHBondContact O-N 2.95Å; A74-L98 HydrophobicContact CB-CD1 3.28Å; A74-L98 HydrophobicContact CB-CG 4.49Å
75L73.1Confident89.1Confident160 Ų16056.8 Ų56.884%0.83830%0.295SS*.  trans-92.551.7172.5-64.7168.1000110.5P73P73-L75 PolarHBondContact O-N 3.45Å
76S83.9Confident89Confident7 Ų752.8 Ų52.85%0.04928%0.277CS..  trans-96.6137.3173.1171.30000110.3D38 A74 S78 L81 R109D38-S76 WeakPolarHBondContact OD2-CB 3.43Å; D38-S76 PolarHBondContact OD2-OG 2.91Å; A74-S76 VanDerWaalsContact C-N 3.25Å; A74-S76 PolarHBondContact O-N 2.95Å; S76-S78 WeakPolarHBondContact OG-CB 3.29Å; S76-S78 PolarHBondContact OG-N 3.02Å; S76-L81 VanDerWaalsContact OG-CD2 3.26Å; S76-L81 WeakPolarHBondContact OG-CD2 3.38Å; S76-R109 PolarHBondContact O-NH2 2.77Å
77S86.9Confident89Confident91 Ų9150 Ų5064%0.63626%0.263SS*.  trans-97.42.4170.7610000112.5
78S92.5Very high89Confident16 Ų1650.3 Ų50.311%0.11226%0.264CS..  trans-72.7145.7179.4179.70000110.9D38 S76 Q80 R109D38-S78 WeakPolarHBondContact OD2-CB 3.4Å; S76-S78 WeakPolarHBondContact OG-CB 3.29Å; S76-S78 PolarHBondContact OG-N 3.02Å; S78-Q80 WeakPolarHBondContact CB-O 3.33Å; S78-Q80 PolarHBondContact OG-N 3.18Å; S78-Q80 PolarHBondContact OG-O 3.46Å; S78-R109 WeakPolarHBondContact O-CD 3.02Å; S78-R109 PolarHBondContact O-NE 2.81Å; S78-R109 VanDerWaalsContact O-NE 3.16Å
79E94.6Very high89Confident121 Ų12149 Ų4957%0.56526%0.261SS*.SBendtrans-78.4-11.2170.8-62.4-5614400112.3R109 K110E79-R109 CarbonylContact O-C 3.47Å; E79-R109 VanDerWaalsContact O-CA 3.32Å; E79-R109 WeakPolarHBondContact O-CA 3.1Å; E79-R109 WeakPolarHBondContact O-CB 3.14Å; E79-K110 PolarHBondContact O-N 3.02Å
80Q96.5Very high89.1Confident22 Ų2254.3 Ų54.310%0.10328%0.283CS..EExtended strand (participates in β ladder)trans-130.6122.4-179.2-51.7-172.2600110.4L33 P34 K37 D38 S78 K110L33-Q80 HydrophobicContact CD2-CB 4.26Å; P34-Q80 PolarHBondContact O-NE2 2.77Å; P34-Q80 PolarHBondContact O-OE1 3.44Å; K37-Q80 WeakPolarHBondContact CA-O 3.36Å; K37-Q80 HydrophobicContact CB-CB 3.83Å; D38-Q80 PolarHBondContact N-O 3.49Å; S78-Q80 WeakPolarHBondContact CB-O 3.33Å; S78-Q80 PolarHBondContact OG-N 3.18Å; S78-Q80 PolarHBondContact OG-O 3.46Å; Q80-K110 WeakPolarHBondContact CA-O 3.08Å; Q80-K110 HydrophobicContact CG-CB 4.27Å
81L96.4Very high89.6Confident0 Ų050.7 Ų50.70%027%0.266CS..EExtended strand (participates in β ladder)trans-116.9124.2177.6-47.5-174.3000109.4D38 F40 S76 F83 L98 K110 Y111 K112D38-L81 HydrophobicContact CB-CD2 4.32Å; F40-L81 HydrophobicContact CE2-CB 4.31Å; F40-L81 HydrophobicContact CE2-CD2 4.05Å; S76-L81 VanDerWaalsContact OG-CD2 3.26Å; S76-L81 WeakPolarHBondContact OG-CD2 3.38Å; L81-F83 HydrophobicContact CB-CE2 3.84Å; L81-F83 HydrophobicContact CB-CZ 4.11Å; L81-F83 HydrophobicContact CD1-CZ 4.33Å; L81-L98 HydrophobicContact CD1-CD1 4.36Å; L81-L98 HydrophobicContact CD1-CD2 3.62Å; L81-K110 PolarHBondContact N-O 3.29Å; L81-Y111 HydrophobicContact CB-CD1 4.18Å; L81-Y111 HydrophobicContact CD1-CD1 4.17Å; L81-Y111 HydrophobicContact CD1-CE1 3.84Å; L81-Y111 HydrophobicContact CG-CD1 4.37Å; L81-Y111 HydrophobicContact CG-CE1 4.32Å; L81-Y111 WeakPolarHBondContact O-CA 3.07Å; L81-K112 PolarHBondContact O-N 3.47Å
82C97.8Very high90.6Very high0 Ų046.1 Ų46.10%024%0.242CC..EExtended strand (participates in β ladder)trans-112.6131.7176.1-174.10000109.4L33 D38 L39 F40 K112L33-C82 HydrophobicContact CD2-CB 4.28Å; D38-C82 PolarHBondContact O-N 3.03Å; L39-C82 CarbonylContact C-O 3.49Å; L39-C82 WeakPolarHBondContact CA-O 3.24Å; L39-C82 HydrophobicContact CD1-CB 3.96Å; F40-C82 PolarHBondContact N-O 3.11Å; C82-K112 CarbonylContact C-O 3.56Å; C82-K112 WeakPolarHBondContact CA-O 3.42Å
83F97.7Very high91.3Very high0 Ų047.3 Ų47.30%024%0.243CC..EExtended strand (participates in β ladder)trans-115.4118.3-178.8-61.1-90.6000109.7F40 L81 V85 Y94 I95 L98 Y111 K112 V113 I114F40-F83 HydrophobicContact CB-CD1 3.5Å; F40-F83 VanDerWaalsContact CB-CD1 3.5Å; F40-F83 HydrophobicContact CB-CE1 3.85Å; F40-F83 HydrophobicContact CB-CG 4.29Å; F40-F83 HydrophobicContact CD1-CE1 4.16Å; F40-F83 HydrophobicContact CD2-CD1 4.3Å; F40-F83 AromaticContact CD2-CE1 3.97Å; F40-F83 HydrophobicContact CD2-CE1 3.97Å; F40-F83 HydrophobicContact CD2-CZ 4.34Å; F40-F83 AromaticContact CG-CD1 3.91Å; F40-F83 HydrophobicContact CG-CD1 3.91Å; F40-F83 AromaticContact CG-CE1 3.72Å; F40-F83 HydrophobicContact CG-CE1 3.72Å; F40-F83 CarbonylContact O-C 3.59Å; F40-F83 WeakPolarHBondContact O-CA 3.29Å; L81-F83 HydrophobicContact CB-CE2 3.84Å; L81-F83 HydrophobicContact CB-CZ 4.11Å; L81-F83 HydrophobicContact CD1-CZ 4.33Å; F83-V85 HydrophobicContact CB-CG1 4.25Å; F83-Y94 HydrophobicContact CE1-CE1 4.31Å; F83-I95 HydrophobicContact CB-CD1 3.99Å; F83-I95 HydrophobicContact CD1-CD1 4.12Å; F83-I95 HydrophobicContact CD1-CG1 3.85Å; F83-I95 HydrophobicContact CD2-CD1 4.29Å; F83-I95 HydrophobicContact CD2-CG1 4.21Å; F83-I95 HydrophobicContact CD2-CG2 4.47Å; F83-I95 HydrophobicContact CE1-CG1 4.02Å; F83-I95 HydrophobicContact CE2-CG1 4.37Å; F83-I95 HydrophobicContact CE2-CG2 4.29Å; F83-I95 HydrophobicContact CG-CD1 3.88Å; F83-I95 HydrophobicContact CG-CG1 3.97Å; F83-I95 HydrophobicContact CZ-CG1 4.28Å; F83-L98 HydrophobicContact CZ-CD1 4.2Å; F83-L98 HydrophobicContact CZ-CD2 4.42Å; F83-Y111 HydrophobicContact CE2-CD1 4.35Å; F83-K112 PolarHBondContact N-O 3.26Å; F83-V113 HydrophobicContact CB-CG2 4.33Å; F83-V113 HydrophobicContact CD2-CG2 4.39Å; F83-V113 CarbonylContact O-C 3.5Å; F83-V113 WeakPolarHBondContact O-CA 3.48Å; F83-I114 PolarHBondContact O-N 2.79Å
84L97.9Very high92.3Very high0 Ų042.3 Ų42.30%021%0.208CC..EExtended strand (participates in β ladder)trans-101105.6171.2175.460000109.1L39 F40 I41 E42 L45 L49 I114 W141L39-L84 HydrophobicContact CD1-CB 4.22Å; F40-L84 PolarHBondContact O-N 3.32Å; I41-L84 HydrophobicContact CG1-CB 4.5Å; I41-L84 HydrophobicContact CG2-CD2 4.31Å; E42-L84 PolarHBondContact N-O 3.26Å; L45-L84 HydrophobicContact CD1-CD1 4.25Å; L45-L84 HydrophobicContact CD1-CG 4.02Å; L49-L84 HydrophobicContact CD1-CD2 4.28Å; L49-L84 HydrophobicContact CD2-CD2 4.05Å; L84-I114 WeakPolarHBondContact CA-O 3.46Å; L84-I114 HydrophobicContact CD1-CB 4.23Å; L84-I114 HydrophobicContact CD1-CG2 3.93Å; L84-W141 HydrophobicContact CD1-CE3 3.79Å; L84-W141 HydrophobicContact CD1-CZ3 4.26Å; L84-W141 HydrophobicContact CD2-CE3 4.47Å; L84-W141 HydrophobicContact CD2-CZ3 4.16Å
85V97.1Very high93.4Very high0 Ų041.4 Ų41.40%020%0.201CC..EExtended strand (participates in β ladder)trans-140.3154.5-167.8-63.70000112.7E42 V69 F83 N91 M92 V113 I114 F115 S116E42-V85 HydrophobicContact CB-CG1 4.34Å; V69-V85 HydrophobicContact CG2-CG1 4.08Å; F83-V85 HydrophobicContact CB-CG1 4.25Å; V85-N91 HydrophobicContact CB-CB 4.37Å; V85-N91 HydrophobicContact CG1-CB 4.47Å; V85-M92 HydrophobicContact CG2-CE 3.89Å; V85-V113 HydrophobicContact CG2-CG1 3.79Å; V85-I114 PolarHBondContact N-O 3.09Å; V85-I114 VanDerWaalsContact N-O 3.07Å; V85-F115 HydrophobicContact CG2-CD1 4.35Å; V85-F115 HydrophobicContact CG2-CE1 4.49Å; V85-F115 WeakPolarHBondContact O-CA 3.29Å; V85-S116 PolarHBondContact O-N 3.01Å
86R94.8Very high94.4Very high2 Ų233.8 Ų33.81%0.00816%0.161CC..  trans-69150.3161.3-64-58.6-165.6-168.71.1109.1E42 L45 R88 N91 S116 P117 E156E42-R86 VanDerWaalsContact OE2-CB 3.3Å; E42-R86 WeakPolarHBondContact OE2-CB 3.49Å; E42-R86 PolarHBondContact OE2-N 2.63Å; L45-R86 HydrophobicContact CD1-CG 4.44Å; L45-R86 HydrophobicContact CG-CG 4.45Å; R86-R88 HydrophobicContact CB-CG 4.05Å; R86-R88 PolarHBondContact O-N 2.88Å; R86-N91 PolarHBondContact O-ND2 2.96Å; R86-S116 WeakPolarHBondContact CD-O 3.42Å; R86-S116 VanDerWaalsContact NH1-C 3.29Å; R86-S116 PolarHBondContact NH1-O 2.92Å; R86-S116 PolarHBondContact NH1-OG 2.98Å; R86-P117 VanDerWaalsContact NH1-CD 3.33Å; R86-E156 PolarHBondContact NH2-O 3.32Å
87P94.4Very high94.9Very high4 Ų436.7 Ų36.73%0.02618%0.181CC..SBendtrans-73.568179.634.2-40.7000112.1F115 S116 Q118 F120 W172P87-F115 HydrophobicContact CB-CD1 3.77Å; P87-F115 HydrophobicContact CB-CE1 4.24Å; P87-S116 WeakPolarHBondContact CD-O 3.42Å; P87-Q118 WeakPolarHBondContact CG-O 3.5Å; P87-F120 HydrophobicContact CB-CB 4.2Å; P87-F120 HydrophobicContact CB-CD2 3.45Å; P87-F120 VanDerWaalsContact CB-CD2 3.45Å; P87-F120 HydrophobicContact CB-CE2 3.97Å; P87-F120 HydrophobicContact CB-CG 3.91Å; P87-F120 HydrophobicContact CG-CD2 3.38Å; P87-F120 HydrophobicContact CG-CE2 3.31Å; P87-F120 HydrophobicContact CG-CG 4.09Å; P87-F120 HydrophobicContact CG-CZ 4.03Å; P87-F120 WeakPolarHBondContact O-CD2 3.46Å; P87-W172 HydrophobicContact CG-CH2 4.05Å
88R93.1Very high95.2Very high66 Ų6633 Ų3325%0.24915%0.154CC..  trans-108.1133.6-179.8-61.1174.4179.2170.4-1.9109.9E42 D44 R86 K90 N91 M92 E159E42-R88 WeakPolarHBondContact OE1-CD 3.4Å; E42-R88 IonicContact OE1-CZ 3.71Å; E42-R88 IonicContact OE1-NE 2.71Å; E42-R88 IonicContact OE1-NH1 2.88Å; E42-R88 PolarHBondContact OE1-NH1 3.42Å; D44-R88 IonicContact OD2-CZ 3.12Å; D44-R88 IonicContact OD2-NH1 3.97Å; D44-R88 PolarHBondContact OD2-NH1 2.82Å; D44-R88 IonicContact OD2-NH2 3.91Å; D44-R88 PolarHBondContact OD2-NH2 3.43Å; R86-R88 HydrophobicContact CB-CG 4.05Å; R86-R88 PolarHBondContact O-N 2.88Å; R88-K90 PolarHBondContact O-N 3.31Å; R88-K90 VanDerWaalsContact O-N 3.14Å; R88-N91 WeakPolarHBondContact O-CB 3.35Å; R88-N91 PolarHBondContact O-N 2.93Å; R88-M92 PolarHBondContact O-N 3.15Å; R88-E159 IonicContact CZ-OE1 2.81Å; R88-E159 IonicContact NE-OE1 2.96Å; R88-E159 IonicContact NH2-OE1 3.32Å; R88-E159 PolarHBondContact NH2-OE1 2.97Å; R88-E159 IonicContact NH2-OE2 3.25Å
89I94.2Very high95.3Very high78 Ų7832.2 Ų32.240%0.415%0.149SC..Hα-helixtrans-52.6-39.6177.3-67.8174.5000111.7N91 M92 R93 V126I89-N91 VanDerWaalsContact C-N 3.28Å; I89-N91 PolarHBondContact O-N 3.45Å; I89-M92 PolarHBondContact O-N 3.14Å; I89-M92 VanDerWaalsContact O-N 3.14Å; I89-R93 HydrophobicContact CG2-CG 4.4Å; I89-R93 PolarHBondContact O-N 3.09Å; I89-V126 HydrophobicContact CG1-CG2 4.37Å; I89-V126 HydrophobicContact CG2-CG2 4.04Å
90K93.6Very high95.3Very high127 Ų12728.6 Ų28.655%0.55213%0.133SC*.Hα-helixtrans-57.7-39.2177.6-177.5-175172.4-169.30112.6N71 R88 Y94N71-K90 WeakPolarHBondContact ND2-CE 3.33Å; N71-K90 WeakPolarHBondContact OD1-CE 3.4Å; R88-K90 PolarHBondContact O-N 3.31Å; R88-K90 VanDerWaalsContact O-N 3.14Å; K90-Y94 WeakPolarHBondContact O-CB 3.33Å; K90-Y94 PolarHBondContact O-N 3.37Å; K90-Y94 VanDerWaalsContact O-N 3.07Å
91N94.8Very high95.1Very high7 Ų729.9 Ų29.94%0.03715%0.147CC..Hα-helixtrans-68.3-40.1178.5-66.2-19.9000110.3E42 V85 R86 R88 I89 Y94 I95E42-N91 PolarHBondContact OE1-ND2 2.95Å; E42-N91 PolarHBondContact OE2-ND2 3.06Å; V85-N91 HydrophobicContact CB-CB 4.37Å; V85-N91 HydrophobicContact CG1-CB 4.47Å; R86-N91 PolarHBondContact O-ND2 2.96Å; R88-N91 WeakPolarHBondContact O-CB 3.35Å; R88-N91 PolarHBondContact O-N 2.93Å; I89-N91 VanDerWaalsContact C-N 3.28Å; I89-N91 PolarHBondContact O-N 3.45Å; N91-Y94 WeakPolarHBondContact O-CB 3.42Å; N91-Y94 PolarHBondContact O-N 2.99Å; N91-I95 WeakPolarHBondContact O-CD1 3.49Å; N91-I95 WeakPolarHBondContact O-CG1 3.38Å; N91-I95 PolarHBondContact O-N 3.06Å
92M96.6Very high95Very high0 Ų030 Ų300%015%0.148CC..Hα-helixtrans-65.7-44.2178.6-60.8-53.999.700111.7V85 R88 I89 Y94 I95 A96 V113 F115 C123 V126 L127V85-M92 HydrophobicContact CG2-CE 3.89Å; R88-M92 PolarHBondContact O-N 3.15Å; I89-M92 PolarHBondContact O-N 3.14Å; I89-M92 VanDerWaalsContact O-N 3.14Å; M92-Y94 VanDerWaalsContact C-N 3.29Å; M92-Y94 PolarHBondContact O-N 2.98Å; M92-I95 HydrophobicContact CE-CD1 3.76Å; M92-I95 PolarHBondContact O-N 3.17Å; M92-A96 WeakPolarHBondContact O-CB 3.32Å; M92-A96 PolarHBondContact O-N 2.87Å; M92-V113 HydrophobicContact CE-CG1 4.06Å; M92-F115 HydrophobicContact CE-CE1 3.49Å; M92-F115 VanDerWaalsContact CE-CE1 3.49Å; M92-F115 HydrophobicContact CE-CZ 3.85Å; M92-F115 HydrophobicContact SD-CE1 3.73Å; M92-F115 HydrophobicContact SD-CZ 3.54Å; M92-F115 VanDerWaalsContact SD-CZ 3.54Å; M92-C123 HydrophobicContact CG-CB 3.57Å; M92-C123 HydrophobicContact SD-CB 3.99Å; M92-V126 HydrophobicContact CB-CB 4.12Å; M92-V126 HydrophobicContact CB-CG1 3.7Å; M92-L127 HydrophobicContact CB-CD2 4.1Å; M92-L127 HydrophobicContact CG-CD2 4.48Å; M92-L127 HydrophobicContact SD-CD1 4.15Å; M92-L127 HydrophobicContact SD-CD2 3.98Å; M92-L127 HydrophobicContact SD-CG 4.18Å
93R95.3Very high94.8Very high151 Ų15134.1 Ų34.157%0.5717%0.166SC*.Hα-helixtrans-60.7-38.6174-69.6-174.7-177.4159.12.5112.6I89 S97 V126I89-R93 HydrophobicContact CG2-CG 4.4Å; I89-R93 PolarHBondContact O-N 3.09Å; R93-S97 WeakPolarHBondContact O-CB 3.32Å; R93-S97 PolarHBondContact O-N 2.93Å; R93-V126 HydrophobicContact CG-CG1 3.97Å
94Y94.8Very high94.6Very high17 Ų1741.7 Ų41.77%0.06721%0.206CC..Hα-helixtrans-62.4-50174.7169.4-112.4000111.5V69 E70 K72 F83 K90 N91 M92 A96 S97 L98V69-Y94 HydrophobicContact CG1-CD1 3.89Å; V69-Y94 HydrophobicContact CG1-CE1 3.92Å; E70-Y94 VanDerWaalsContact O-CE2 3.24Å; E70-Y94 WeakPolarHBondContact O-CE2 3.44Å; E70-Y94 PolarHBondContact O-OH 3.37Å; K72-Y94 WeakPolarHBondContact O-CE2 3.36Å; K72-Y94 PolarHBondContact O-OH 3.02Å; F83-Y94 HydrophobicContact CE1-CE1 4.31Å; K90-Y94 WeakPolarHBondContact O-CB 3.33Å; K90-Y94 PolarHBondContact O-N 3.37Å; K90-Y94 VanDerWaalsContact O-N 3.07Å; N91-Y94 WeakPolarHBondContact O-CB 3.42Å; N91-Y94 PolarHBondContact O-N 2.99Å; M92-Y94 VanDerWaalsContact C-N 3.29Å; M92-Y94 PolarHBondContact O-N 2.98Å; Y94-A96 VanDerWaalsContact C-N 3.34Å; Y94-A96 PolarHBondContact O-N 3.38Å; Y94-S97 PolarHBondContact O-N 2.9Å; Y94-S97 PolarHBondContact O-OG 3.11Å; Y94-L98 PolarHBondContact O-N 3.19Å
95I95.2Very high94.3Very high1 Ų144.8 Ų44.81%0.00523%0.232CC..Hα-helixtrans-61.5-44.1178.6-68.5159.5000110.5F83 N91 M92 S97 L98 V99 V113F83-I95 HydrophobicContact CB-CD1 3.99Å; F83-I95 HydrophobicContact CD1-CD1 4.12Å; F83-I95 HydrophobicContact CD1-CG1 3.85Å; F83-I95 HydrophobicContact CD2-CD1 4.29Å; F83-I95 HydrophobicContact CD2-CG1 4.21Å; F83-I95 HydrophobicContact CD2-CG2 4.47Å; F83-I95 HydrophobicContact CE1-CG1 4.02Å; F83-I95 HydrophobicContact CE2-CG1 4.37Å; F83-I95 HydrophobicContact CE2-CG2 4.29Å; F83-I95 HydrophobicContact CG-CD1 3.88Å; F83-I95 HydrophobicContact CG-CG1 3.97Å; F83-I95 HydrophobicContact CZ-CG1 4.28Å; N91-I95 WeakPolarHBondContact O-CD1 3.49Å; N91-I95 WeakPolarHBondContact O-CG1 3.38Å; N91-I95 PolarHBondContact O-N 3.06Å; M92-I95 HydrophobicContact CE-CD1 3.76Å; M92-I95 PolarHBondContact O-N 3.17Å; I95-S97 VanDerWaalsContact C-N 3.35Å; I95-S97 PolarHBondContact O-N 3.14Å; I95-L98 WeakPolarHBondContact O-CB 3.37Å; I95-L98 PolarHBondContact O-N 3.19Å; I95-L98 VanDerWaalsContact O-N 3.11Å; I95-V99 HydrophobicContact CG2-CG2 4.3Å; I95-V99 WeakPolarHBondContact O-CG2 3.47Å; I95-V99 PolarHBondContact O-N 3.35Å; I95-V113 HydrophobicContact CD1-CG2 3.83Å; I95-V113 HydrophobicContact CG2-CG2 4.4Å
96A95.5Very high94.2Very high0 Ų047.9 Ų47.90%026%0.263CS..Hα-helixtrans-56.5-45.9174.700000112.6M92 Y94 L98 V99 N100 E130 I132M92-A96 WeakPolarHBondContact O-CB 3.32Å; M92-A96 PolarHBondContact O-N 2.87Å; Y94-A96 VanDerWaalsContact C-N 3.34Å; Y94-A96 PolarHBondContact O-N 3.38Å; A96-L98 PolarHBondContact O-N 3.11Å; A96-V99 PolarHBondContact O-N 3.43Å; A96-N100 WeakPolarHBondContact O-CB 3.43Å; A96-N100 PolarHBondContact O-N 3.06Å; A96-N100 PolarHBondContact O-ND2 2.9Å; A96-E130 HydrophobicContact CB-CB 3.66Å; A96-E130 HydrophobicContact CB-CG 3.66Å; A96-I132 HydrophobicContact CB-CD1 3.83Å; A96-I132 HydrophobicContact CB-CG1 4.05Å
97S93.9Very high94Very high67 Ų6753.4 Ų53.447%0.46928%0.284SS..Hα-helixtrans-59.9-35.1177.676.70000112.7R93 Y94 I95 A101R93-S97 WeakPolarHBondContact O-CB 3.32Å; R93-S97 PolarHBondContact O-N 2.93Å; Y94-S97 PolarHBondContact O-N 2.9Å; Y94-S97 PolarHBondContact O-OG 3.11Å; I95-S97 VanDerWaalsContact C-N 3.35Å; I95-S97 PolarHBondContact O-N 3.14Å; S97-A101 VanDerWaalsContact O-CB 3.27Å; S97-A101 WeakPolarHBondContact O-CB 3.18Å; S97-A101 PolarHBondContact O-N 3.08Å
98L92.8Very high93.8Very high13 Ų1359.2 Ų59.27%0.06832%0.32CS..Hα-helixtrans-72.1-47.6178.2-178.5152.2000111.5A74 L81 F83 Y94 I95 A96 N100 A101 D102 Y111A74-L98 HydrophobicContact CB-CD1 3.28Å; A74-L98 HydrophobicContact CB-CG 4.49Å; L81-L98 HydrophobicContact CD1-CD1 4.36Å; L81-L98 HydrophobicContact CD1-CD2 3.62Å; F83-L98 HydrophobicContact CZ-CD1 4.2Å; F83-L98 HydrophobicContact CZ-CD2 4.42Å; Y94-L98 PolarHBondContact O-N 3.19Å; I95-L98 WeakPolarHBondContact O-CB 3.37Å; I95-L98 PolarHBondContact O-N 3.19Å; I95-L98 VanDerWaalsContact O-N 3.11Å; A96-L98 PolarHBondContact O-N 3.11Å; L98-N100 VanDerWaalsContact C-N 3.34Å; L98-N100 PolarHBondContact O-N 3.19Å; L98-A101 PolarHBondContact O-N 3.35Å; L98-D102 PolarHBondContact O-N 3.35Å; L98-Y111 HydrophobicContact CD2-CD1 4.21Å; L98-Y111 HydrophobicContact CD2-CE1 3.53Å
99V94.8Very high93.8Very high0 Ų057.5 Ų57.50%031%0.313CS..Hα-helixtrans-61.3-45.1178.5176.10000110.3I95 A96 A101 D102 K103 Y111 I132 D135 V136I95-V99 HydrophobicContact CG2-CG2 4.3Å; I95-V99 WeakPolarHBondContact O-CG2 3.47Å; I95-V99 PolarHBondContact O-N 3.35Å; A96-V99 PolarHBondContact O-N 3.43Å; V99-A101 PolarHBondContact O-N 3.35Å; V99-D102 PolarHBondContact O-N 3.07Å; V99-K103 WeakPolarHBondContact O-CG 3.36Å; V99-K103 PolarHBondContact O-N 3.47Å; V99-Y111 HydrophobicContact CB-CE2 4.32Å; V99-Y111 HydrophobicContact CG1-CD2 4.28Å; V99-Y111 HydrophobicContact CG1-CE2 3.89Å; V99-Y111 HydrophobicContact CG2-CD1 3.85Å; V99-Y111 HydrophobicContact CG2-CD2 3.83Å; V99-Y111 HydrophobicContact CG2-CE1 3.88Å; V99-Y111 HydrophobicContact CG2-CE2 3.86Å; V99-Y111 HydrophobicContact CG2-CG 3.81Å; V99-I132 HydrophobicContact CB-CD1 4.41Å; V99-I132 HydrophobicContact CB-CG2 4.04Å; V99-I132 HydrophobicContact CG1-CB 4.08Å; V99-I132 HydrophobicContact CG1-CG2 3.65Å; V99-I132 HydrophobicContact CG2-CD1 4.28Å; V99-D135 HydrophobicContact CG1-CB 4.11Å; V99-V136 HydrophobicContact CG2-CG2 4.11Å
100N94.6Very high93.9Very high45 Ų4559.5 Ų59.524%0.24132%0.319CS..Hα-helixtrans-66.5-36.9178.4-76.7-30.3000112.3A96 L98 D102 K103 L104 E130 I132A96-N100 WeakPolarHBondContact O-CB 3.43Å; A96-N100 PolarHBondContact O-N 3.06Å; A96-N100 PolarHBondContact O-ND2 2.9Å; L98-N100 VanDerWaalsContact C-N 3.34Å; L98-N100 PolarHBondContact O-N 3.19Å; N100-D102 VanDerWaalsContact C-N 3.33Å; N100-D102 PolarHBondContact O-N 3.06Å; N100-K103 PolarHBondContact O-N 3.36Å; N100-L104 WeakPolarHBondContact O-CB 3.44Å; N100-L104 VanDerWaalsContact O-CG 3.29Å; N100-L104 WeakPolarHBondContact O-CG 3.49Å; N100-L104 PolarHBondContact O-N 2.98Å; N100-E130 PolarHBondContact ND2-O 2.75Å; N100-I132 VanDerWaalsContact OD1-CG2 3.31Å; N100-I132 WeakPolarHBondContact OD1-CG2 3.41Å
101A92.9Very high94.1Very high49 Ų4954 Ų5441%0.40530%0.295SS..Hα-helixtrans-63.5-39172.500000112.2S97 L98 V99 L104 A105S97-A101 VanDerWaalsContact O-CB 3.27Å; S97-A101 WeakPolarHBondContact O-CB 3.18Å; S97-A101 PolarHBondContact O-N 3.08Å; L98-A101 PolarHBondContact O-N 3.35Å; V99-A101 PolarHBondContact O-N 3.35Å; A101-L104 PolarHBondContact O-N 3.11Å; A101-A105 WeakPolarHBondContact O-CB 3.09Å; A101-A105 PolarHBondContact O-N 3.3Å
102D93.4Very high94.2Very high3 Ų353.9 Ų53.92%0.01629%0.294CS..Hα-helixtrans-66.6-43.6175.7-79.1-7.8000111.6L98 V99 N100 L104 A105 G106 R107 R109 Y111L98-D102 PolarHBondContact O-N 3.35Å; V99-D102 PolarHBondContact O-N 3.07Å; N100-D102 VanDerWaalsContact C-N 3.33Å; N100-D102 PolarHBondContact O-N 3.06Å; D102-L104 PolarHBondContact O-N 3.14Å; D102-A105 CarbonylContact O-C 3.59Å; D102-A105 PolarHBondContact O-N 3.02Å; D102-A105 VanDerWaalsContact O-N 3.16Å; D102-G106 PolarHBondContact O-N 3.05Å; D102-G106 VanDerWaalsContact O-N 3.13Å; D102-R107 CarbonylContact C-O 3.6Å; D102-R107 HydrophobicContact CB-CB 4.1Å; D102-R107 PolarHBondContact O-N 3.4Å; D102-R107 IonicContact OD1-CZ 3.7Å; D102-R107 IonicContact OD1-NE 2.78Å; D102-R107 PolarHBondContact OD1-NE 2.62Å; D102-R107 IonicContact OD1-NH2 2.72Å; D102-R107 PolarHBondContact OD1-NH2 3.46Å; D102-R109 IonicContact OD1-NH1 3.68Å; D102-R109 VanDerWaalsContact OD2-CD 3.32Å; D102-R109 WeakPolarHBondContact OD2-CD 3.44Å; D102-R109 IonicContact OD2-CZ 2.88Å; D102-R109 IonicContact OD2-NE 3.43Å; D102-R109 IonicContact OD2-NH1 3.57Å; D102-R109 PolarHBondContact OD2-NH1 2.68Å; D102-Y111 WeakPolarHBondContact CB-OH 3.42Å; D102-Y111 PolarHBondContact OD2-OH 2.84Å
103K92.9Very high94.3Very high87 Ų8753.9 Ų53.938%0.37829%0.294SS..Hα-helixtrans-57.2-47.2172.7-72.7179.9177.9-1780112.1V99 N100 A105 G106 G131 D135V99-K103 WeakPolarHBondContact O-CG 3.36Å; V99-K103 PolarHBondContact O-N 3.47Å; N100-K103 PolarHBondContact O-N 3.36Å; K103-A105 VanDerWaalsContact C-N 3.26Å; K103-A105 PolarHBondContact O-N 3.43Å; K103-G106 PolarHBondContact O-N 3.21Å; K103-G131 PolarHBondContact NZ-O 2.94Å; K103-D135 WeakPolarHBondContact CE-OD1 3.39Å; K103-D135 VanDerWaalsContact CE-OD2 3.26Å; K103-D135 WeakPolarHBondContact CE-OD2 3.38Å; K103-D135 VanDerWaalsContact NZ-CG 3.29Å; K103-D135 IonicContact NZ-OD1 3.78Å; K103-D135 PolarHBondContact NZ-OD1 3.18Å; K103-D135 IonicContact NZ-OD2 3.67Å; K103-D135 PolarHBondContact NZ-OD2 2.77Å
104L93.7Very high94.4Very high158 Ų15846.7 Ų46.783%0.82727%0.267SS*.Hα-helixtrans-62-34.1177.5-74.6170.2000112.5N100 A101 D102 G106N100-L104 WeakPolarHBondContact O-CB 3.44Å; N100-L104 VanDerWaalsContact O-CG 3.29Å; N100-L104 WeakPolarHBondContact O-CG 3.49Å; N100-L104 PolarHBondContact O-N 2.98Å; A101-L104 PolarHBondContact O-N 3.11Å; D102-L104 PolarHBondContact O-N 3.14Å; L104-G106 VanDerWaalsContact C-N 3.26Å; L104-G106 PolarHBondContact O-N 3.12Å
105A93Very high94.6Very high66 Ų6645.9 Ų45.955%0.54526%0.263SS..THydrogen-bonded Turntrans-81.71.2175.500000113.8A101 D102 K103 R107A101-A105 WeakPolarHBondContact O-CB 3.09Å; A101-A105 PolarHBondContact O-N 3.3Å; D102-A105 CarbonylContact O-C 3.59Å; D102-A105 PolarHBondContact O-N 3.02Å; D102-A105 VanDerWaalsContact O-N 3.16Å; K103-A105 VanDerWaalsContact C-N 3.26Å; K103-A105 PolarHBondContact O-N 3.43Å; A105-R107 HydrophobicContact CB-CG 4.19Å; A105-R107 PolarHBondContact O-N 3.18Å
106G93Very high94.6Very high64 Ų6445.8 Ų45.866%0.6626%0.263SS*.THydrogen-bonded Turntrans68.117.1-175.700000114.1D102 K103 L104D102-G106 PolarHBondContact O-N 3.05Å; D102-G106 VanDerWaalsContact O-N 3.13Å; K103-G106 PolarHBondContact O-N 3.21Å; L104-G106 VanDerWaalsContact C-N 3.26Å; L104-G106 PolarHBondContact O-N 3.12Å
107R91.1Very high94.5Very high119 Ų11946 Ų4645%0.44927%0.265SS..  trans-87.7130.1177.6-65.1-167-67.7-162.7-5.4110D102 A105D102-R107 CarbonylContact C-O 3.6Å; D102-R107 HydrophobicContact CB-CB 4.1Å; D102-R107 PolarHBondContact O-N 3.4Å; D102-R107 IonicContact OD1-CZ 3.7Å; D102-R107 IonicContact OD1-NE 2.78Å; D102-R107 PolarHBondContact OD1-NE 2.62Å; D102-R107 IonicContact OD1-NH2 2.72Å; D102-R107 PolarHBondContact OD1-NH2 3.46Å; A105-R107 HydrophobicContact CB-CG 4.19Å; A105-R107 PolarHBondContact O-N 3.18Å
108T90.1Very high94.4Very high126 Ų12643.5 Ų43.577%0.77325%0.245SC*.  trans-111.2119.3176.7-55.10000109.2
109R93.8Very high94.4Very high29 Ų2946.8 Ų46.811%0.10926%0.259CS..  trans-132.4165179.8-64.6-177.9174.5166.5-17.9110.6S76 S78 E79 D102 Y111S76-R109 PolarHBondContact O-NH2 2.77Å; S78-R109 WeakPolarHBondContact O-CD 3.02Å; S78-R109 PolarHBondContact O-NE 2.81Å; S78-R109 VanDerWaalsContact O-NE 3.16Å; E79-R109 CarbonylContact O-C 3.47Å; E79-R109 VanDerWaalsContact O-CA 3.32Å; E79-R109 WeakPolarHBondContact O-CA 3.1Å; E79-R109 WeakPolarHBondContact O-CB 3.14Å; D102-R109 IonicContact OD1-NH1 3.68Å; D102-R109 VanDerWaalsContact OD2-CD 3.32Å; D102-R109 WeakPolarHBondContact OD2-CD 3.44Å; D102-R109 IonicContact OD2-CZ 2.88Å; D102-R109 IonicContact OD2-NE 3.43Å; D102-R109 IonicContact OD2-NH1 3.57Å; D102-R109 PolarHBondContact OD2-NH1 2.68Å; R109-Y111 HydrophobicContact CB-CE1 4.08Å; R109-Y111 HydrophobicContact CB-CE2 4.06Å; R109-Y111 WeakPolarHBondContact O-CE2 3.34Å
110K96.4Very high94.3Very high121 Ų12148.3 Ų48.353%0.52627%0.266SS..EExtended strand (participates in β ladder)trans-95.2131.3168.7-63-176.4179.3-178.60110.1L33 E79 Q80 L81L33-K110 HydrophobicContact CD1-CB 4.09Å; L33-K110 HydrophobicContact CD1-CD 4.17Å; E79-K110 PolarHBondContact O-N 3.02Å; Q80-K110 WeakPolarHBondContact CA-O 3.08Å; Q80-K110 HydrophobicContact CG-CB 4.27Å; L81-K110 PolarHBondContact N-O 3.29Å
111Y97.1Very high94.1Very high11 Ų1153.8 Ų53.84%0.04328%0.284CS..EExtended strand (participates in β ladder)trans-117.5133.3178.3-52.6-81.3000110.4L81 F83 L98 V99 D102 R109 S137L81-Y111 HydrophobicContact CB-CD1 4.18Å; L81-Y111 HydrophobicContact CD1-CD1 4.17Å; L81-Y111 HydrophobicContact CD1-CE1 3.84Å; L81-Y111 HydrophobicContact CG-CD1 4.37Å; L81-Y111 HydrophobicContact CG-CE1 4.32Å; L81-Y111 WeakPolarHBondContact O-CA 3.07Å; F83-Y111 HydrophobicContact CE2-CD1 4.35Å; L98-Y111 HydrophobicContact CD2-CD1 4.21Å; L98-Y111 HydrophobicContact CD2-CE1 3.53Å; V99-Y111 HydrophobicContact CB-CE2 4.32Å; V99-Y111 HydrophobicContact CG1-CD2 4.28Å; V99-Y111 HydrophobicContact CG1-CE2 3.89Å; V99-Y111 HydrophobicContact CG2-CD1 3.85Å; V99-Y111 HydrophobicContact CG2-CD2 3.83Å; V99-Y111 HydrophobicContact CG2-CE1 3.88Å; V99-Y111 HydrophobicContact CG2-CE2 3.86Å; V99-Y111 HydrophobicContact CG2-CG 3.81Å; D102-Y111 WeakPolarHBondContact CB-OH 3.42Å; D102-Y111 PolarHBondContact OD2-OH 2.84Å; R109-Y111 HydrophobicContact CB-CE1 4.08Å; R109-Y111 HydrophobicContact CB-CE2 4.06Å; R109-Y111 WeakPolarHBondContact O-CE2 3.34Å; Y111-S137 PolarHBondContact O-N 2.92Å; Y111-S137 PolarHBondContact O-OG 2.98Å
112K97.8Very high94.2Very high4 Ų453.9 Ų53.92%0.01729%0.285CS..EExtended strand (participates in β ladder)trans-130.5133.7173-178.3166173.9127.70110.7L29 L33 L81 C82 F83 I114 S137 D139L29-K112 WeakPolarHBondContact O-CE 3.42Å; L29-K112 PolarHBondContact O-NZ 3.34Å; L29-K112 VanDerWaalsContact O-NZ 3.11Å; L33-K112 HydrophobicContact CB-CD 3.98Å; L33-K112 HydrophobicContact CD2-CB 3.87Å; L33-K112 HydrophobicContact CD2-CD 4.41Å; L81-K112 PolarHBondContact O-N 3.47Å; C82-K112 CarbonylContact C-O 3.56Å; C82-K112 WeakPolarHBondContact CA-O 3.42Å; F83-K112 PolarHBondContact N-O 3.26Å; K112-I114 HydrophobicContact CG-CG1 4.26Å; K112-S137 CarbonylContact C-O 3.14Å; K112-S137 WeakPolarHBondContact CA-O 3.49Å; K112-S137 WeakPolarHBondContact CA-OG 3.49Å; K112-S137 WeakPolarHBondContact CB-OG 3.18Å; K112-D139 WeakPolarHBondContact CE-OD2 3.33Å; K112-D139 IonicContact NZ-OD2 3.84Å; K112-D139 PolarHBondContact NZ-OD2 3.1Å
113V98.1Very high94.3Very high0 Ų053.8 Ų53.80%029%0.285CS..EExtended strand (participates in β ladder)trans-113.7123.4173.4-179.60000108.2F83 V85 M92 I95 F115 V136 S137 C138 D139F83-V113 HydrophobicContact CB-CG2 4.33Å; F83-V113 HydrophobicContact CD2-CG2 4.39Å; F83-V113 CarbonylContact O-C 3.5Å; F83-V113 WeakPolarHBondContact O-CA 3.48Å; V85-V113 HydrophobicContact CG2-CG1 3.79Å; M92-V113 HydrophobicContact CE-CG1 4.06Å; I95-V113 HydrophobicContact CD1-CG2 3.83Å; I95-V113 HydrophobicContact CG2-CG2 4.4Å; V113-F115 HydrophobicContact CB-CE2 4.32Å; V113-F115 HydrophobicContact CG1-CD1 4.22Å; V113-F115 HydrophobicContact CG1-CD2 4.02Å; V113-F115 HydrophobicContact CG1-CE1 3.9Å; V113-F115 HydrophobicContact CG1-CE2 3.65Å; V113-F115 HydrophobicContact CG1-CG 4.3Å; V113-F115 HydrophobicContact CG1-CZ 3.6Å; V113-V136 HydrophobicContact CB-CG1 4.29Å; V113-V136 HydrophobicContact CG2-CG1 3.5Å; V113-V136 VanDerWaalsContact CG2-CG1 3.5Å; V113-S137 PolarHBondContact N-O 3.16Å; V113-C138 CarbonylContact O-C 3.55Å; V113-C138 WeakPolarHBondContact O-CA 3.22Å; V113-D139 PolarHBondContact O-N 3.11Å
114I98.3Very high94.4Very high0 Ų050.8 Ų50.80%027%0.272CS..EExtended strand (participates in β ladder)trans-108.2108.4172.9-59.3174.3000106.7L29 L30 F83 L84 V85 K112 D139 W141L29-I114 HydrophobicContact CB-CD1 3.89Å; L29-I114 HydrophobicContact CD1-CG2 3.87Å; L30-I114 HydrophobicContact CD2-CD1 4.35Å; F83-I114 PolarHBondContact O-N 2.79Å; L84-I114 WeakPolarHBondContact CA-O 3.46Å; L84-I114 HydrophobicContact CD1-CB 4.23Å; L84-I114 HydrophobicContact CD1-CG2 3.93Å; V85-I114 PolarHBondContact N-O 3.09Å; V85-I114 VanDerWaalsContact N-O 3.07Å; K112-I114 HydrophobicContact CG-CG1 4.26Å; I114-D139 CarbonylContact C-O 3.57Å; I114-D139 WeakPolarHBondContact CA-O 3.36Å; I114-W141 HydrophobicContact CG2-CB 3.58Å
115F97.4Very high94.5Very high0 Ų046.8 Ų46.80%025%0.25CC..EExtended strand (participates in β ladder)trans-80.8137.4176.1-66.4-79.2000110.6V85 P87 M92 V113 Q118 K119 C123 C138 D139 W141V85-F115 HydrophobicContact CG2-CD1 4.35Å; V85-F115 HydrophobicContact CG2-CE1 4.49Å; V85-F115 WeakPolarHBondContact O-CA 3.29Å; P87-F115 HydrophobicContact CB-CD1 3.77Å; P87-F115 HydrophobicContact CB-CE1 4.24Å; M92-F115 HydrophobicContact CE-CE1 3.49Å; M92-F115 VanDerWaalsContact CE-CE1 3.49Å; M92-F115 HydrophobicContact CE-CZ 3.85Å; M92-F115 HydrophobicContact SD-CE1 3.73Å; M92-F115 HydrophobicContact SD-CZ 3.54Å; M92-F115 VanDerWaalsContact SD-CZ 3.54Å; V113-F115 HydrophobicContact CB-CE2 4.32Å; V113-F115 HydrophobicContact CG1-CD1 4.22Å; V113-F115 HydrophobicContact CG1-CD2 4.02Å; V113-F115 HydrophobicContact CG1-CE1 3.9Å; V113-F115 HydrophobicContact CG1-CE2 3.65Å; V113-F115 HydrophobicContact CG1-CG 4.3Å; V113-F115 HydrophobicContact CG1-CZ 3.6Å; F115-Q118 WeakPolarHBondContact CB-O 3.35Å; F115-K119 HydrophobicContact CB-CB 4.17Å; F115-K119 HydrophobicContact CD2-CB 3.69Å; F115-K119 HydrophobicContact CE2-CB 4.26Å; F115-K119 HydrophobicContact CG-CB 4Å; F115-C123 HydrophobicContact CE1-CB 3.91Å; F115-C123 HydrophobicContact CZ-CB 3.88Å; F115-C138 HydrophobicContact CE2-CB 3.94Å; F115-D139 PolarHBondContact N-O 2.88Å; F115-W141 PolarHBondContact O-N 3.44Å
116S95.3Very high94.7Very high0 Ų044.1 Ų44.10%023%0.227CC..SBendtrans-127.6134.2171.9178.60000111.2V85 R86 P87V85-S116 PolarHBondContact O-N 3.01Å; R86-S116 WeakPolarHBondContact CD-O 3.42Å; R86-S116 VanDerWaalsContact NH1-C 3.29Å; R86-S116 PolarHBondContact NH1-O 2.92Å; R86-S116 PolarHBondContact NH1-OG 2.98Å; P87-S116 WeakPolarHBondContact CD-O 3.42Å
117P93.7Very high94.9Very high5 Ų541.1 Ų41.13%0.03220%0.196CC..SBendcis-82.8-15.4-5.633.6-28.5000113R86 W141 A142 W172 T175R86-P117 VanDerWaalsContact NH1-CD 3.33Å; P117-W141 CarbonylContact C-O 3.29Å; P117-W141 WeakPolarHBondContact CA-O 3.34Å; P117-W141 CarbonylContact O-C 3.53Å; P117-A142 VanDerWaalsContact O-CA 3.3Å; P117-A142 WeakPolarHBondContact O-CA 3.26Å; P117-W172 HydrophobicContact CG-CZ3 3.91Å; P117-T175 HydrophobicContact CB-CG2 3.98Å; P117-T175 HydrophobicContact CG-CG2 3.41Å; P117-T175 VanDerWaalsContact CG-CG2 3.41Å
118Q92.5Very high95.2Very high13 Ų1341.5 Ų41.56%0.06120%0.203CC..  trans-144160.4-17664.3-175.2-9.700109.9P87 F115 F120 R171 W172 N174 T175P87-Q118 WeakPolarHBondContact CG-O 3.5Å; F115-Q118 WeakPolarHBondContact CB-O 3.35Å; Q118-F120 HydrophobicContact CG-CD1 4.32Å; Q118-F120 HydrophobicContact CG-CE1 3.7Å; Q118-F120 HydrophobicContact CG-CZ 4.15Å; Q118-R171 PolarHBondContact NE2-O 2.97Å; Q118-R171 VanDerWaalsContact NE2-O 3.08Å; Q118-W172 HydrophobicContact CG-CZ3 4.42Å; Q118-N174 PolarHBondContact OE1-ND2 3.13Å; Q118-T175 VanDerWaalsContact CD-OG1 3.29Å; Q118-T175 PolarHBondContact NE2-OG1 3.27Å
119K92.3Very high95.5Very high82 Ų8242.6 Ų42.636%0.35720%0.199SC..  trans-87150.7171.980.7-165.6177.4146.70109.7F115 E124 E140F115-K119 HydrophobicContact CB-CB 4.17Å; F115-K119 HydrophobicContact CD2-CB 3.69Å; F115-K119 HydrophobicContact CE2-CB 4.26Å; F115-K119 HydrophobicContact CG-CB 4Å; K119-E124 IonicContact NZ-OE1 3.94Å; K119-E124 PolarHBondContact NZ-OE1 3.34Å; K119-E140 HydrophobicContact CB-CG 3.7Å; K119-E140 WeakPolarHBondContact CB-OE1 3.4Å; K119-E140 HydrophobicContact CD-CG 3.88Å; K119-E140 HydrophobicContact CG-CG 3.93Å; K119-E140 WeakPolarHBondContact CG-OE1 3.46Å; K119-E140 PolarHBondContact N-OE1 3.1Å
120F92Very high95.7Very high33 Ų3345 Ų4515%0.14521%0.212CC..  trans-117.1135.6170.9-67-34.5000109.9P87 Q118 A122 C123 E124 R171 W172P87-F120 HydrophobicContact CB-CB 4.2Å; P87-F120 HydrophobicContact CB-CD2 3.45Å; P87-F120 VanDerWaalsContact CB-CD2 3.45Å; P87-F120 HydrophobicContact CB-CE2 3.97Å; P87-F120 HydrophobicContact CB-CG 3.91Å; P87-F120 HydrophobicContact CG-CD2 3.38Å; P87-F120 HydrophobicContact CG-CE2 3.31Å; P87-F120 HydrophobicContact CG-CG 4.09Å; P87-F120 HydrophobicContact CG-CZ 4.03Å; P87-F120 WeakPolarHBondContact O-CD2 3.46Å; Q118-F120 HydrophobicContact CG-CD1 4.32Å; Q118-F120 HydrophobicContact CG-CE1 3.7Å; Q118-F120 HydrophobicContact CG-CZ 4.15Å; F120-A122 PolarHBondContact O-N 3.43Å; F120-C123 WeakPolarHBondContact O-CA 3.42Å; F120-C123 VanDerWaalsContact O-CB 3.28Å; F120-C123 WeakPolarHBondContact O-CB 3.49Å; F120-C123 PolarHBondContact O-N 3.13Å; F120-E124 PolarHBondContact O-N 2.92Å; F120-R171 HydrophobicContact CE1-CB 4.07Å; F120-R171 HydrophobicContact CE2-CB 4.37Å; F120-R171 VanDerWaalsContact CE2-CD 3.43Å; F120-R171 HydrophobicContact CE2-CG 4.09Å; F120-R171 HydrophobicContact CZ-CB 3.77Å; F120-R171 HydrophobicContact CZ-CG 3.72Å; F120-W172 HydrophobicContact CE2-CH2 4.05Å; F120-W172 HydrophobicContact CE2-CZ2 4.29Å; F120-W172 HydrophobicContact CE2-CZ3 4.39Å; F120-W172 HydrophobicContact CZ-CE3 4.18Å; F120-W172 AromaticContact CZ-CH2 3.99Å; F120-W172 HydrophobicContact CZ-CH2 3.99Å; F120-W172 HydrophobicContact CZ-CZ2 4.39Å; F120-W172 AromaticContact CZ-CZ3 3.86Å; F120-W172 HydrophobicContact CZ-CZ3 3.86Å
121Y91.9Very high95.7Very high159 Ų15941.6 Ų41.662%0.62421%0.211SC*.Hα-helixtrans-55.3-34.9177.1-178.4-106.7000112.4C123 E124 M125Y121-C123 PolarHBondContact O-N 2.91Å; Y121-E124 WeakPolarHBondContact O-CB 3.43Å; Y121-E124 PolarHBondContact O-N 3.29Å; Y121-M125 HydrophobicContact CD1-CG 3.97Å; Y121-M125 HydrophobicContact CD1-SD 3.82Å; Y121-M125 HydrophobicContact CE1-CG 3.54Å; Y121-M125 HydrophobicContact CE1-SD 3.39Å; Y121-M125 WeakPolarHBondContact CE1-SD 3.44Å; Y121-M125 PolarHBondContact O-N 3.04Å
122A93.9Very high95.6Very high51 Ų5141.1 Ų41.142%0.42121%0.209SC..Hα-helixtrans-59.1-28.4173.900000113.6F120 V126F120-A122 PolarHBondContact O-N 3.43Å; A122-V126 VanDerWaalsContact O-CG2 3.29Å; A122-V126 WeakPolarHBondContact O-CG2 3.48Å; A122-V126 PolarHBondContact O-N 2.9Å
123C95.8Very high95.5Very high1 Ų146.6 Ų46.61%0.00723%0.23CC..Hα-helixtrans-73.4-41.5173.4-700000111.4M92 F115 F120 Y121 V126 L127M92-C123 HydrophobicContact CG-CB 3.57Å; M92-C123 HydrophobicContact SD-CB 3.99Å; F115-C123 HydrophobicContact CE1-CB 3.91Å; F115-C123 HydrophobicContact CZ-CB 3.88Å; F120-C123 WeakPolarHBondContact O-CA 3.42Å; F120-C123 VanDerWaalsContact O-CB 3.28Å; F120-C123 WeakPolarHBondContact O-CB 3.49Å; F120-C123 PolarHBondContact O-N 3.13Å; Y121-C123 PolarHBondContact O-N 2.91Å; C123-V126 PolarHBondContact O-N 3.1Å; C123-L127 WeakPolarHBondContact O-CG 3Å; C123-L127 PolarHBondContact O-N 2.8Å
124E94.5Very high95.4Very high24 Ų2450.4 Ų50.411%0.11227%0.269CS..Hα-helixtrans-60.7-44.5175.7-70.2175.516200110.8K119 F120 Y121 V126 L127 E128 Y133K119-E124 IonicContact NZ-OE1 3.94Å; K119-E124 PolarHBondContact NZ-OE1 3.34Å; F120-E124 PolarHBondContact O-N 2.92Å; Y121-E124 WeakPolarHBondContact O-CB 3.43Å; Y121-E124 PolarHBondContact O-N 3.29Å; E124-V126 VanDerWaalsContact C-N 3.32Å; E124-V126 PolarHBondContact O-N 3.13Å; E124-L127 WeakPolarHBondContact O-CB 2.94Å; E124-L127 PolarHBondContact O-N 2.84Å; E124-L127 VanDerWaalsContact O-N 3.09Å; E124-E128 PolarHBondContact O-N 2.95Å; E124-Y133 HydrophobicContact CB-CE2 3.94Å; E124-Y133 HydrophobicContact CG-CE2 4.15Å
125M96.1Very high95.2Very high74 Ų7453.7 Ų53.737%0.36529%0.287SS..Hα-helixtrans-56.6-41.9174.9-71.7-174.266.300113Y121 L127 E128 E129Y121-M125 HydrophobicContact CD1-CG 3.97Å; Y121-M125 HydrophobicContact CD1-SD 3.82Å; Y121-M125 HydrophobicContact CE1-CG 3.54Å; Y121-M125 HydrophobicContact CE1-SD 3.39Å; Y121-M125 WeakPolarHBondContact CE1-SD 3.44Å; Y121-M125 PolarHBondContact O-N 3.04Å; M125-L127 VanDerWaalsContact C-N 3.32Å; M125-L127 PolarHBondContact O-N 2.87Å; M125-E128 WeakPolarHBondContact O-CB 3.3Å; M125-E128 PolarHBondContact O-N 3.11Å; M125-E129 WeakPolarHBondContact O-CG 3.4Å; M125-E129 PolarHBondContact O-N 3.24Å
126V97.3Very high95.2Very high11 Ų1154.2 Ų54.27%0.06729%0.29CS..Hα-helixtrans-64.2-38.6177.9171.10000111.1I89 M92 R93 A122 C123 E124 E128 E130I89-V126 HydrophobicContact CG1-CG2 4.37Å; I89-V126 HydrophobicContact CG2-CG2 4.04Å; M92-V126 HydrophobicContact CB-CB 4.12Å; M92-V126 HydrophobicContact CB-CG1 3.7Å; R93-V126 HydrophobicContact CG-CG1 3.97Å; A122-V126 VanDerWaalsContact O-CG2 3.29Å; A122-V126 WeakPolarHBondContact O-CG2 3.48Å; A122-V126 PolarHBondContact O-N 2.9Å; C123-V126 PolarHBondContact O-N 3.1Å; E124-V126 VanDerWaalsContact C-N 3.32Å; E124-V126 PolarHBondContact O-N 3.13Å; V126-E128 VanDerWaalsContact C-N 3.3Å; V126-E128 PolarHBondContact O-N 2.73Å; V126-E130 HydrophobicContact CG1-CG 4.38Å; V126-E130 WeakPolarHBondContact O-CB 3.39Å; V126-E130 WeakPolarHBondContact O-CG 2.98Å; V126-E130 PolarHBondContact O-N 3.26Å
127L97Very high95.3Very high0 Ų056.8 Ų56.80%031%0.308CS..Hα-helixtrans-67.1-34.1176.1-58.6174000111.4M92 C123 E124 M125 G131 I132 Y133M92-L127 HydrophobicContact CB-CD2 4.1Å; M92-L127 HydrophobicContact CG-CD2 4.48Å; M92-L127 HydrophobicContact SD-CD1 4.15Å; M92-L127 HydrophobicContact SD-CD2 3.98Å; M92-L127 HydrophobicContact SD-CG 4.18Å; C123-L127 WeakPolarHBondContact O-CG 3Å; C123-L127 PolarHBondContact O-N 2.8Å; E124-L127 WeakPolarHBondContact O-CB 2.94Å; E124-L127 PolarHBondContact O-N 2.84Å; E124-L127 VanDerWaalsContact O-N 3.09Å; M125-L127 VanDerWaalsContact C-N 3.32Å; M125-L127 PolarHBondContact O-N 2.87Å; L127-G131 PolarHBondContact O-N 2.77Å; L127-I132 HydrophobicContact CB-CD1 4.41Å; L127-I132 HydrophobicContact CB-CG1 4.31Å; L127-I132 HydrophobicContact CD2-CD1 3.46Å; L127-I132 VanDerWaalsContact CD2-CD1 3.46Å; L127-I132 HydrophobicContact CD2-CG1 4.2Å; L127-I132 HydrophobicContact CG-CD1 4.5Å; L127-I132 WeakPolarHBondContact O-CG1 3.28Å; L127-I132 PolarHBondContact O-N 3.44Å; L127-Y133 HydrophobicContact CB-CD2 4.25Å; L127-Y133 PolarHBondContact O-N 2.77Å
128E97.2Very high95.4Very high128 Ų12858.1 Ų58.160%0.59832%0.317SS*.Hα-helixtrans-68.4-49.2175.1-172.6178.1-175.100111.9E124 M125 V126 E130 G131E124-E128 PolarHBondContact O-N 2.95Å; M125-E128 WeakPolarHBondContact O-CB 3.3Å; M125-E128 PolarHBondContact O-N 3.11Å; V126-E128 VanDerWaalsContact C-N 3.3Å; V126-E128 PolarHBondContact O-N 2.73Å; E128-E130 VanDerWaalsContact C-N 3.27Å; E128-E130 PolarHBondContact O-N 3.09Å; E128-G131 WeakPolarHBondContact O-CA 3.4Å; E128-G131 PolarHBondContact O-N 2.96Å
129E97.3Very high95.7Very high148 Ų14859.6 Ų59.669%0.69233%0.325SS*.Hα-helixtrans-58.8-37.2177.2-73.8175.717900112.5M125 G131M125-E129 WeakPolarHBondContact O-CG 3.4Å; M125-E129 PolarHBondContact O-N 3.24Å; E129-G131 PolarHBondContact O-N 3.38Å
130E96.9Very high95.8Very high81 Ų8159.4 Ų59.438%0.37933%0.326SS..THydrogen-bonded Turntrans-79.1-1.3176.5-66.5-76.3167.700113.3A96 N100 V126 E128 I132A96-E130 HydrophobicContact CB-CB 3.66Å; A96-E130 HydrophobicContact CB-CG 3.66Å; N100-E130 PolarHBondContact ND2-O 2.75Å; V126-E130 HydrophobicContact CG1-CG 4.38Å; V126-E130 WeakPolarHBondContact O-CB 3.39Å; V126-E130 WeakPolarHBondContact O-CG 2.98Å; V126-E130 PolarHBondContact O-N 3.26Å; E128-E130 VanDerWaalsContact C-N 3.27Å; E128-E130 PolarHBondContact O-N 3.09Å; E130-I132 VanDerWaalsContact C-N 3.34Å; E130-I132 HydrophobicContact CB-CG1 4.16Å; E130-I132 PolarHBondContact O-N 3.44Å
131G96.6Very high96Very high49 Ų4957.9 Ų57.951%0.50532%0.319SS..THydrogen-bonded Turntrans70.525.7176.700000114.4K103 L127 E128 E129K103-G131 PolarHBondContact NZ-O 2.94Å; L127-G131 PolarHBondContact O-N 2.77Å; E128-G131 WeakPolarHBondContact O-CA 3.4Å; E128-G131 PolarHBondContact O-N 2.96Å; E129-G131 PolarHBondContact O-N 3.38Å
132I96.2Very high96Very high0 Ų052.6 Ų52.60%031%0.308CS..  trans-122.22.9-176.662.7133.7000114.7A96 V99 N100 L127 E130 G134 D135 V136A96-I132 HydrophobicContact CB-CD1 3.83Å; A96-I132 HydrophobicContact CB-CG1 4.05Å; V99-I132 HydrophobicContact CB-CD1 4.41Å; V99-I132 HydrophobicContact CB-CG2 4.04Å; V99-I132 HydrophobicContact CG1-CB 4.08Å; V99-I132 HydrophobicContact CG1-CG2 3.65Å; V99-I132 HydrophobicContact CG2-CD1 4.28Å; N100-I132 VanDerWaalsContact OD1-CG2 3.31Å; N100-I132 WeakPolarHBondContact OD1-CG2 3.41Å; L127-I132 HydrophobicContact CB-CD1 4.41Å; L127-I132 HydrophobicContact CB-CG1 4.31Å; L127-I132 HydrophobicContact CD2-CD1 3.46Å; L127-I132 VanDerWaalsContact CD2-CD1 3.46Å; L127-I132 HydrophobicContact CD2-CG1 4.2Å; L127-I132 HydrophobicContact CG-CD1 4.5Å; L127-I132 WeakPolarHBondContact O-CG1 3.28Å; L127-I132 PolarHBondContact O-N 3.44Å; E130-I132 VanDerWaalsContact C-N 3.34Å; E130-I132 HydrophobicContact CB-CG1 4.16Å; E130-I132 PolarHBondContact O-N 3.44Å; I132-G134 VanDerWaalsContact C-N 3.25Å; I132-G134 PolarHBondContact O-N 2.84Å; I132-D135 WeakPolarHBondContact CA-OD2 3.32Å; I132-D135 WeakPolarHBondContact O-CB 3.35Å; I132-D135 PolarHBondContact O-N 3.48Å; I132-V136 HydrophobicContact CD1-CG2 3.7Å; I132-V136 PolarHBondContact O-N 2.96Å
133Y95.3Very high95.9Very high120 Ų12050.6 Ų50.647%0.47129%0.29SS..G310 helixtrans-53.6-40.3-178.8-176.4-99000113.1E124 L127 D135E124-Y133 HydrophobicContact CB-CE2 3.94Å; E124-Y133 HydrophobicContact CG-CE2 4.15Å; L127-Y133 HydrophobicContact CB-CD2 4.25Å; L127-Y133 PolarHBondContact O-N 2.77Å; Y133-D135 VanDerWaalsContact C-N 3.3Å; Y133-D135 PolarHBondContact O-N 3.48Å
134G95.1Very high95.7Very high79 Ų7951 Ų5181%0.81429%0.293SS*.G310 helixtrans-75.2-13.9177.300000115.1I132I132-G134 VanDerWaalsContact C-N 3.25Å; I132-G134 PolarHBondContact O-N 2.84Å
135D95.8Very high95.8Very high69 Ų6950.1 Ų50.137%0.36929%0.289SS..G310 helixtrans-93.1-14-178.8-54.9-90.2000112.7V99 K103 I132 Y133V99-D135 HydrophobicContact CG1-CB 4.11Å; K103-D135 WeakPolarHBondContact CE-OD1 3.39Å; K103-D135 VanDerWaalsContact CE-OD2 3.26Å; K103-D135 WeakPolarHBondContact CE-OD2 3.38Å; K103-D135 VanDerWaalsContact NZ-CG 3.29Å; K103-D135 IonicContact NZ-OD1 3.78Å; K103-D135 PolarHBondContact NZ-OD1 3.18Å; K103-D135 IonicContact NZ-OD2 3.67Å; K103-D135 PolarHBondContact NZ-OD2 2.77Å; I132-D135 WeakPolarHBondContact CA-OD2 3.32Å; I132-D135 WeakPolarHBondContact O-CB 3.35Å; I132-D135 PolarHBondContact O-N 3.48Å; Y133-D135 VanDerWaalsContact C-N 3.3Å; Y133-D135 PolarHBondContact O-N 3.48Å
136V96.5Very high95.8Very high12 Ų1246.7 Ų46.77%0.07327%0.272CS..EExtended strand (participates in β ladder)trans-120.6122.4-172.6-176.90000110.7V99 V113 I132V99-V136 HydrophobicContact CG2-CG2 4.11Å; V113-V136 HydrophobicContact CB-CG1 4.29Å; V113-V136 HydrophobicContact CG2-CG1 3.5Å; V113-V136 VanDerWaalsContact CG2-CG1 3.5Å; I132-V136 HydrophobicContact CD1-CG2 3.7Å; I132-V136 PolarHBondContact O-N 2.96Å
137S96.9Very high95.8Very high53 Ų5346.5 Ų46.537%0.37127%0.271SS..EExtended strand (participates in β ladder)trans-80.3136.4168.455.60000110.6Y111 K112 V113Y111-S137 PolarHBondContact O-N 2.92Å; Y111-S137 PolarHBondContact O-OG 2.98Å; K112-S137 CarbonylContact C-O 3.14Å; K112-S137 WeakPolarHBondContact CA-O 3.49Å; K112-S137 WeakPolarHBondContact CA-OG 3.49Å; K112-S137 WeakPolarHBondContact CB-OG 3.18Å; V113-S137 PolarHBondContact N-O 3.16Å
138C97.1Very high95.7Very high34 Ų3446.8 Ų46.823%0.2327%0.272CS..EExtended strand (participates in β ladder)trans-124.2129.6-178.2-68.80000110.8V113 F115V113-C138 CarbonylContact O-C 3.55Å; V113-C138 WeakPolarHBondContact O-CA 3.22Å; F115-C138 HydrophobicContact CE2-CB 3.94Å
139D97.1Very high95.6Very high43 Ų4341.4 Ų41.423%0.2325%0.248CC..EExtended strand (participates in β ladder)trans-137164.9177.4-67.4-80.7000111.1L29 K112 V113 I114 F115L29-D139 HydrophobicContact CD2-CB 3.71Å; K112-D139 WeakPolarHBondContact CE-OD2 3.33Å; K112-D139 IonicContact NZ-OD2 3.84Å; K112-D139 PolarHBondContact NZ-OD2 3.1Å; V113-D139 PolarHBondContact O-N 3.11Å; I114-D139 CarbonylContact C-O 3.57Å; I114-D139 WeakPolarHBondContact CA-O 3.36Å; F115-D139 PolarHBondContact N-O 2.88Å
140E96Very high95.5Very high79 Ų7937.8 Ų37.837%0.36924%0.236SC..EExtended strand (participates in β ladder)trans-112132.8178.4-65177.3126.800111.2L29 K119L29-E140 WeakPolarHBondContact CD1-O 3.44Å; K119-E140 HydrophobicContact CB-CG 3.7Å; K119-E140 WeakPolarHBondContact CB-OE1 3.4Å; K119-E140 HydrophobicContact CD-CG 3.88Å; K119-E140 HydrophobicContact CG-CG 3.93Å; K119-E140 WeakPolarHBondContact CG-OE1 3.46Å; K119-E140 PolarHBondContact N-OE1 3.1Å
141W96.2Very high95.5Very high1 Ų134.6 Ų34.60%0.00422%0.221CC..  trans-106.299.5165-176.139.2000108.9A22 L26 L29 L49 I52 L84 I114 F115 P117 F143A22-W141 HydrophobicContact CB-CZ2 4.2Å; A22-W141 PolarHBondContact O-NE1 3.18Å; L26-W141 HydrophobicContact CB-CD2 4.36Å; L26-W141 HydrophobicContact CB-CZ2 3.89Å; L26-W141 HydrophobicContact CD1-CD2 4.17Å; L26-W141 HydrophobicContact CD1-CE3 4.34Å; L26-W141 HydrophobicContact CD2-CH2 4.08Å; L26-W141 HydrophobicContact CD2-CZ2 4.05Å; L26-W141 HydrophobicContact CG-CZ2 4.41Å; L29-W141 HydrophobicContact CD1-CB 3.65Å; L29-W141 HydrophobicContact CD1-CG 4.17Å; L49-W141 HydrophobicContact CD1-CH2 4.18Å; I52-W141 HydrophobicContact CG2-CH2 4.48Å; I52-W141 HydrophobicContact CG2-CZ2 4.09Å; L84-W141 HydrophobicContact CD1-CE3 3.79Å; L84-W141 HydrophobicContact CD1-CZ3 4.26Å; L84-W141 HydrophobicContact CD2-CE3 4.47Å; L84-W141 HydrophobicContact CD2-CZ3 4.16Å; I114-W141 HydrophobicContact CG2-CB 3.58Å; F115-W141 PolarHBondContact O-N 3.44Å; P117-W141 CarbonylContact C-O 3.29Å; P117-W141 WeakPolarHBondContact CA-O 3.34Å; P117-W141 CarbonylContact O-C 3.53Å; W141-F143 HydrophobicContact CD2-CB 3.63Å; W141-F143 HydrophobicContact CD2-CG 4.38Å; W141-F143 HydrophobicContact CE3-CB 3.93Å; W141-F143 HydrophobicContact CE3-CD1 4.15Å; W141-F143 HydrophobicContact CE3-CG 4.39Å; W141-F143 HydrophobicContact CG-CB 4.14Å; W141-F143 HydrophobicContact CH2-CB 4.15Å; W141-F143 AromaticContact CH2-CD1 3.5Å; W141-F143 HydrophobicContact CH2-CD1 3.5Å; W141-F143 AromaticContact CH2-CE1 4Å; W141-F143 HydrophobicContact CH2-CE1 4Å; W141-F143 AromaticContact CH2-CG 3.85Å; W141-F143 HydrophobicContact CH2-CG 3.85Å; W141-F143 HydrophobicContact CZ2-CB 3.85Å; W141-F143 AromaticContact CZ2-CD1 3.97Å; W141-F143 HydrophobicContact CZ2-CD1 3.97Å; W141-F143 HydrophobicContact CZ2-CD2 4.35Å; W141-F143 AromaticContact CZ2-CG 3.8Å; W141-F143 HydrophobicContact CZ2-CG 3.8Å; W141-F143 HydrophobicContact CZ3-CB 4.19Å; W141-F143 AromaticContact CZ3-CD1 3.6Å; W141-F143 HydrophobicContact CZ3-CD1 3.6Å; W141-F143 HydrophobicContact CZ3-CE1 4.32Å; W141-F143 HydrophobicContact CZ3-CG 4.15Å; W141-F143 PolarHBondContact O-N 2.77Å
142A91.4Very high95.5Very high48 Ų4832.4 Ų32.440%0.39720%0.198SC..  trans-69.347.2-176.500000113.7P117 S144P117-A142 VanDerWaalsContact O-CA 3.3Å; P117-A142 WeakPolarHBondContact O-CA 3.26Å; A142-S144 PolarHBondContact O-N 2.82Å
143F91.6Very high95.6Very high9 Ų932.5 Ų32.54%0.03920%0.198CC..  trans-9086.9-179.3175.7-128000110.2A22 P48 I52 W141 L146A22-F143 HydrophobicContact CB-CD2 3.52Å; A22-F143 HydrophobicContact CB-CE2 4.03Å; A22-F143 HydrophobicContact CB-CG 4.33Å; P48-F143 HydrophobicContact CB-CE1 3.73Å; P48-F143 HydrophobicContact CB-CZ 4.31Å; I52-F143 HydrophobicContact CD1-CE2 3.71Å; I52-F143 HydrophobicContact CD1-CZ 3.92Å; I52-F143 HydrophobicContact CG1-CE1 4.25Å; I52-F143 HydrophobicContact CG1-CE2 3.78Å; I52-F143 HydrophobicContact CG1-CZ 3.57Å; W141-F143 HydrophobicContact CD2-CB 3.63Å; W141-F143 HydrophobicContact CD2-CG 4.38Å; W141-F143 HydrophobicContact CE3-CB 3.93Å; W141-F143 HydrophobicContact CE3-CD1 4.15Å; W141-F143 HydrophobicContact CE3-CG 4.39Å; W141-F143 HydrophobicContact CG-CB 4.14Å; W141-F143 HydrophobicContact CH2-CB 4.15Å; W141-F143 AromaticContact CH2-CD1 3.5Å; W141-F143 HydrophobicContact CH2-CD1 3.5Å; W141-F143 AromaticContact CH2-CE1 4Å; W141-F143 HydrophobicContact CH2-CE1 4Å; W141-F143 AromaticContact CH2-CG 3.85Å; W141-F143 HydrophobicContact CH2-CG 3.85Å; W141-F143 HydrophobicContact CZ2-CB 3.85Å; W141-F143 AromaticContact CZ2-CD1 3.97Å; W141-F143 HydrophobicContact CZ2-CD1 3.97Å; W141-F143 HydrophobicContact CZ2-CD2 4.35Å; W141-F143 AromaticContact CZ2-CG 3.8Å; W141-F143 HydrophobicContact CZ2-CG 3.8Å; W141-F143 HydrophobicContact CZ3-CB 4.19Å; W141-F143 AromaticContact CZ3-CD1 3.6Å; W141-F143 HydrophobicContact CZ3-CD1 3.6Å; W141-F143 HydrophobicContact CZ3-CE1 4.32Å; W141-F143 HydrophobicContact CZ3-CG 4.15Å; W141-F143 PolarHBondContact O-N 2.77Å; F143-L146 HydrophobicContact CE2-CB 4.03Å; F143-L146 HydrophobicContact CE2-CD1 4.33Å; F143-L146 HydrophobicContact CZ-CB 3.77Å; F143-L146 HydrophobicContact CZ-CD1 3.94Å; F143-L146 HydrophobicContact CZ-CD2 4.37Å; F143-L146 HydrophobicContact CZ-CG 4.2Å
144S90.8Very high95.8Very high10 Ų1026.8 Ų26.87%0.0718%0.176CC..  trans-109.5-12.3-179.558.50000114A142 M155A142-S144 PolarHBondContact O-N 2.82Å; S144-M155 WeakPolarHBondContact O-CA 3.33Å; S144-M155 WeakPolarHBondContact O-CB 3.34Å; S144-M155 VanDerWaalsContact O-CG 3.26Å; S144-M155 WeakPolarHBondContact O-CG 3.4Å
145L96.6Very high95.9Very high5 Ų523.4 Ų23.43%0.02614%0.139CC..  trans-128109.1-177.1-69.4175.2000111.3L18 A179 L182 L183 L598L18-L145 HydrophobicContact CD1-CB 4.22Å; L18-L145 HydrophobicContact CD1-CD1 4.39Å; L18-L145 HydrophobicContact CD2-CB 4.49Å; L18-L145 HydrophobicContact CD2-CD1 4.16Å; L145-A179 HydrophobicContact CD1-CB 4.18Å; L145-A179 HydrophobicContact CD2-CB 3.95Å; L145-A179 HydrophobicContact CG-CB 3.93Å; L145-L182 HydrophobicContact CD1-CD2 4.2Å; L145-L183 HydrophobicContact CD1-CD1 4.19Å; L145-L183 HydrophobicContact CD1-CD2 3.83Å; L145-L183 HydrophobicContact CD1-CG 3.68Å; L145-L598 HydrophobicContact CD2-CD1 3.34Å; L145-L598 HydrophobicContact CD2-CD2 4.18Å; L145-L598 HydrophobicContact CD2-CG 4.42Å
146L96.8Very high95.9Very high2 Ų221.3 Ų21.31%0.0113%0.127CC..EExtended strand (participates in β ladder)trans-108.5115.5173.117860.4000110.4P48 R51 I52 F143 L148 L153 S154 E156 C259P48-L146 HydrophobicContact CB-CD2 4.24Å; R51-L146 HydrophobicContact CB-CD1 3.67Å; R51-L146 HydrophobicContact CB-CD2 4.25Å; R51-L146 HydrophobicContact CG-CD1 4.4Å; R51-L146 HydrophobicContact CG-CD2 4.21Å; I52-L146 HydrophobicContact CD1-CD1 3.75Å; I52-L146 HydrophobicContact CG1-CD1 4.26Å; F143-L146 HydrophobicContact CE2-CB 4.03Å; F143-L146 HydrophobicContact CE2-CD1 4.33Å; F143-L146 HydrophobicContact CZ-CB 3.77Å; F143-L146 HydrophobicContact CZ-CD1 3.94Å; F143-L146 HydrophobicContact CZ-CD2 4.37Å; F143-L146 HydrophobicContact CZ-CG 4.2Å; L146-L148 HydrophobicContact CD2-CD2 3.65Å; L146-L148 HydrophobicContact CG-CD2 3.91Å; L146-L148 PolarHBondContact O-N 2.88Å; L146-L153 WeakPolarHBondContact O-CA 3.47Å; L146-S154 WeakPolarHBondContact CB-O 3.41Å; L146-S154 PolarHBondContact N-O 3.1Å; L146-S154 PolarHBondContact O-N 3.46Å; L146-E156 HydrophobicContact CD2-CG 3.84Å; L146-C259 HydrophobicContact CD2-CB 4.44Å
147P97Very high95.8Very high6 Ų620.8 Ų20.84%0.03912%0.124CC..EExtended strand (participates in β ladder)trans-69.2104.9168.8-15.829000110.2F15 L18 K19 R51 L153F15-P147 HydrophobicContact CB-CB 4.15Å; F15-P147 HydrophobicContact CB-CG 3.98Å; F15-P147 WeakPolarHBondContact O-CG 3.27Å; L18-P147 HydrophobicContact CB-CG 4.04Å; L18-P147 HydrophobicContact CD1-CG 4.15Å; K19-P147 WeakPolarHBondContact CE-O 3.26Å; K19-P147 HydrophobicContact CG-CG 4.04Å; K19-P147 PolarHBondContact NZ-O 2.91Å; R51-P147 PolarHBondContact NH2-O 2.74Å; P147-L153 HydrophobicContact CB-CD2 3.73Å; P147-L153 HydrophobicContact CG-CD2 3.82Å
148L95.9Very high95.6Very high6 Ų621.9 Ų21.93%0.03113%0.129CC..  trans-76.3-37.7174.9-63.9-172.2000111R51 L146 L152 S154 C259 V602R51-L148 PolarHBondContact NH1-O 3.16Å; R51-L148 PolarHBondContact NH2-O 3Å; L146-L148 HydrophobicContact CD2-CD2 3.65Å; L146-L148 HydrophobicContact CG-CD2 3.91Å; L146-L148 PolarHBondContact O-N 2.88Å; L148-L152 HydrophobicContact CB-CB 4.48Å; L148-L152 HydrophobicContact CB-CD2 4.09Å; L148-L152 HydrophobicContact CB-CG 4.09Å; L148-L152 HydrophobicContact CD1-CD2 4.02Å; L148-L152 HydrophobicContact CD1-CG 4.25Å; L148-L152 PolarHBondContact N-O 2.99Å; L148-S154 VanDerWaalsContact CD1-CB 3.49Å; L148-C259 HydrophobicContact CD2-CB 4.33Å; L148-V602 HydrophobicContact CD1-CG2 4.16Å
149D95.4Very high95.3Very high15 Ų1521.3 Ų21.38%0.0812%0.123CC..SBendtrans-144.4-174.1179.4-145.1-32.9000111D151 L152 N280 A281 R290D149-D151 VanDerWaalsContact C-N 3.27Å; D149-D151 PolarHBondContact O-N 3.24Å; D149-L152 HydrophobicContact CB-CB 3.94Å; D149-L152 PolarHBondContact N-O 3.15Å; D149-N280 WeakPolarHBondContact OD2-CA 3.49Å; D149-A281 PolarHBondContact OD1-N 2.84Å; D149-R290 IonicContact OD1-NH1 2.63Å; D149-R290 IonicContact OD2-CZ 3.65Å; D149-R290 IonicContact OD2-NH1 3.91Å; D149-R290 PolarHBondContact OD2-NH1 2.61Å; D149-R290 IonicContact OD2-NH2 3.43Å; D149-R290 PolarHBondContact OD2-NH2 3.33Å
150V94.3Very high95.3Very high73 Ų7319.2 Ų19.244%0.44211%0.112SC..SBendtrans-64.2-28.9178.3-62.40000113.6L12 A281L12-V150 HydrophobicContact CD1-CB 4.22Å; L12-V150 HydrophobicContact CD1-CG2 4.07Å; V150-A281 HydrophobicContact CG1-CB 4.01Å; V150-A281 HydrophobicContact CG2-CB 4.08Å
151D96.6Very high95.4Very high13 Ų1316 Ų167%0.0710%0.097CC..SBendtrans-125.56.7-177.163.9-15.3000112.9L12 D149 R585 I596 F597L12-D151 HydrophobicContact CD1-CB 3.86Å; L12-D151 HydrophobicContact CD2-CB 4.47Å; D149-D151 VanDerWaalsContact C-N 3.27Å; D149-D151 PolarHBondContact O-N 3.24Å; D151-R585 VanDerWaalsContact CG-NH2 3.31Å; D151-R585 IonicContact OD1-CZ 3.38Å; D151-R585 IonicContact OD1-NE 3.38Å; D151-R585 IonicContact OD1-NH2 2.93Å; D151-R585 PolarHBondContact OD1-NH2 2.52Å; D151-R585 IonicContact OD2-CZ 3.58Å; D151-R585 IonicContact OD2-NE 2.77Å; D151-R585 PolarHBondContact OD2-NE 3.02Å; D151-R585 IonicContact OD2-NH2 3.59Å; D151-R585 PolarHBondContact OD2-NH2 2.75Å; D151-R585 VanDerWaalsContact OD2-NH2 3.12Å; D151-I596 CarbonylContact O-C 3.52Å; D151-I596 WeakPolarHBondContact O-CA 3.26Å; D151-F597 WeakPolarHBondContact O-CD2 3.32Å; D151-F597 PolarHBondContact O-N 3.25Å
152L97.9Very high95.4Very high4 Ų418.4 Ų18.42%0.02111%0.106CC..EExtended strand (participates in β ladder)trans-125113.3-176.2179.162.3000111.2L148 D149 F578 I581 F597 T599 V602L148-L152 HydrophobicContact CB-CB 4.48Å; L148-L152 HydrophobicContact CB-CD2 4.09Å; L148-L152 HydrophobicContact CB-CG 4.09Å; L148-L152 HydrophobicContact CD1-CD2 4.02Å; L148-L152 HydrophobicContact CD1-CG 4.25Å; L148-L152 PolarHBondContact N-O 2.99Å; D149-L152 HydrophobicContact CB-CB 3.94Å; D149-L152 PolarHBondContact N-O 3.15Å; L152-F578 HydrophobicContact CD2-CE1 4.41Å; L152-I581 HydrophobicContact CD1-CD1 3.93Å; L152-I581 HydrophobicContact CD2-CD1 4.1Å; L152-F597 HydrophobicContact CD1-CB 3.65Å; L152-T599 HydrophobicContact CD1-CG2 4.48Å; L152-V602 HydrophobicContact CD2-CG2 4.4Å
153L98.4Very high95.5Very high1 Ų116.6 Ų16.61%0.0059%0.09CC..EExtended strand (participates in β ladder)trans-103.9140.8170.8-52.8-177.5000109.5F15 L18 L146 P147 L183 F597 L598 T599F15-L153 HydrophobicContact CB-CD2 4.08Å; F15-L153 HydrophobicContact CD1-CD1 4.07Å; F15-L153 HydrophobicContact CD1-CD2 4.17Å; F15-L153 HydrophobicContact CD2-CD2 4.3Å; F15-L153 HydrophobicContact CE1-CD1 4.05Å; F15-L153 HydrophobicContact CG-CD2 3.92Å; L18-L153 HydrophobicContact CD1-CD1 4.18Å; L18-L153 HydrophobicContact CD1-CD2 4.09Å; L146-L153 WeakPolarHBondContact O-CA 3.47Å; P147-L153 HydrophobicContact CB-CD2 3.73Å; P147-L153 HydrophobicContact CG-CD2 3.82Å; L153-L183 HydrophobicContact CD1-CD1 4.29Å; L153-L183 HydrophobicContact CD1-CD2 3.96Å; L153-F597 PolarHBondContact N-O 3.01Å; L153-L598 HydrophobicContact CB-CD1 3.93Å; L153-L598 WeakPolarHBondContact O-CA 3.43Å; L153-T599 PolarHBondContact O-N 3.01Å; L153-T599 VanDerWaalsContact O-N 3.09Å
154S97.9Very high95.8Very high0 Ų017.3 Ų17.30%09%0.093CC..EExtended strand (participates in β ladder)trans-135.5144177.1178.70000110.5L146 L148 E156 T599L146-S154 WeakPolarHBondContact CB-O 3.41Å; L146-S154 PolarHBondContact N-O 3.1Å; L146-S154 PolarHBondContact O-N 3.46Å; L148-S154 VanDerWaalsContact CD1-CB 3.49Å; S154-E156 VanDerWaalsContact C-N 3.29Å; S154-E156 WeakPolarHBondContact CB-OE1 3.45Å; S154-E156 PolarHBondContact OG-N 3.22Å; S154-E156 VanDerWaalsContact OG-N 3.08Å; S154-E156 PolarHBondContact OG-OE1 3.35Å; S154-T599 CarbonylContact C-O 3.55Å; S154-T599 WeakPolarHBondContact CA-O 3.22Å
155M97.8Very high96.1Very high8 Ų818 Ų184%0.0399%0.094CC..  trans-81.9-12.8170.4-48.8174.973.300112.7S144 L157 T175 V176 A179 L598 T599 T600S144-M155 WeakPolarHBondContact O-CA 3.33Å; S144-M155 WeakPolarHBondContact O-CB 3.34Å; S144-M155 VanDerWaalsContact O-CG 3.26Å; S144-M155 WeakPolarHBondContact O-CG 3.4Å; M155-L157 HydrophobicContact CB-CB 4.48Å; M155-L157 HydrophobicContact CB-CD1 3.94Å; M155-L157 HydrophobicContact CB-CG 4.03Å; M155-L157 HydrophobicContact CE-CD1 3.86Å; M155-L157 PolarHBondContact O-N 3.05Å; M155-L157 HydrophobicContact SD-CD1 4.44Å; M155-T175 HydrophobicContact CE-CG2 3.36Å; M155-V176 HydrophobicContact CE-CG2 3.97Å; M155-V176 HydrophobicContact SD-CG2 3.97Å; M155-A179 HydrophobicContact CE-CB 4.49Å; M155-L598 HydrophobicContact CG-CD1 4.27Å; M155-T599 PolarHBondContact N-O 3.16Å; M155-T600 HydrophobicContact SD-CG2 3.9Å
156E96.1Very high96Very high25 Ų2518 Ų1812%0.11710%0.095CC..  trans48.744.1-174.7-62.9-63.5122.900112.3P48 R86 L146 S154 P158 C259 T600P48-E156 HydrophobicContact CG-CB 3.95Å; P48-E156 HydrophobicContact CG-CG 4.12Å; R86-E156 PolarHBondContact NH2-O 3.32Å; L146-E156 HydrophobicContact CD2-CG 3.84Å; S154-E156 VanDerWaalsContact C-N 3.29Å; S154-E156 WeakPolarHBondContact CB-OE1 3.45Å; S154-E156 PolarHBondContact OG-N 3.22Å; S154-E156 VanDerWaalsContact OG-N 3.08Å; S154-E156 PolarHBondContact OG-OE1 3.35Å; E156-P158 WeakPolarHBondContact O-CD 3.39Å; E156-C259 PolarHBondContact OE2-SG 2.95Å; E156-T600 PolarHBondContact N-O 3.37Å
157L94.9Very high96Very high1 Ų122.2 Ų22.21%0.00511%0.114CC..  trans-107.974.1175.8-67.7173.3000110.1M155 E159 F160 W172 T175 T600M155-L157 HydrophobicContact CB-CB 4.48Å; M155-L157 HydrophobicContact CB-CD1 3.94Å; M155-L157 HydrophobicContact CB-CG 4.03Å; M155-L157 HydrophobicContact CE-CD1 3.86Å; M155-L157 PolarHBondContact O-N 3.05Å; M155-L157 HydrophobicContact SD-CD1 4.44Å; L157-E159 PolarHBondContact O-N 3.5Å; L157-F160 HydrophobicContact CB-CB 4.11Å; L157-F160 WeakPolarHBondContact O-CB 2.98Å; L157-F160 PolarHBondContact O-N 3.44Å; L157-F160 VanDerWaalsContact O-N 3.08Å; L157-W172 HydrophobicContact CD1-CD2 4.32Å; L157-W172 HydrophobicContact CD1-CE3 4.06Å; L157-W172 HydrophobicContact CD1-CZ3 4.49Å; L157-W172 HydrophobicContact CD2-CE3 4.41Å; L157-W172 HydrophobicContact CD2-CH2 4.09Å; L157-W172 HydrophobicContact CD2-CZ2 4.36Å; L157-W172 HydrophobicContact CD2-CZ3 4.12Å; L157-T175 HydrophobicContact CD1-CG2 4.28Å; L157-T600 PolarHBondContact N-O 2.96Å
158P91.4Very high95.9Very high76 Ų7624.2 Ų24.249%0.49414%0.136SC..THydrogen-bonded Turntrans-60.9-26.3-179.626.3-35.8000113.4E156 F160E156-P158 WeakPolarHBondContact O-CD 3.39Å; P158-F160 VanDerWaalsContact C-N 3.28Å; P158-F160 PolarHBondContact O-N 3.08Å
159E92.4Very high95.8Very high22 Ų2226.4 Ų26.410%0.10315%0.148CC..THydrogen-bonded Turntrans-71-20.9176.261.3-94.8-109.700113.6R88 L157 F161 R162 D163 W172R88-E159 IonicContact CZ-OE1 2.81Å; R88-E159 IonicContact NE-OE1 2.96Å; R88-E159 IonicContact NH2-OE1 3.32Å; R88-E159 PolarHBondContact NH2-OE1 2.97Å; R88-E159 IonicContact NH2-OE2 3.25Å; L157-E159 PolarHBondContact O-N 3.5Å; E159-F161 PolarHBondContact O-N 3.38Å; E159-F161 VanDerWaalsContact O-N 3.14Å; E159-R162 PolarHBondContact O-N 2.97Å; E159-R162 VanDerWaalsContact O-N 3.09Å; E159-D163 WeakPolarHBondContact CG-OD2 3.29Å; E159-D163 WeakPolarHBondContact O-CB 3.26Å; E159-D163 VanDerWaalsContact O-CG 3.25Å; E159-D163 PolarHBondContact O-N 2.9Å; E159-W172 HydrophobicContact CG-CZ2 4.05Å
160F96.5Very high95.7Very high0 Ų030.9 Ų30.90%017%0.168CC..Hα-helixtrans-52.2-45.1-173.2-174.7-75.7000112.2L157 P158 R162 Y164 F165 W172 V176 L573 T600L157-F160 HydrophobicContact CB-CB 4.11Å; L157-F160 WeakPolarHBondContact O-CB 2.98Å; L157-F160 PolarHBondContact O-N 3.44Å; L157-F160 VanDerWaalsContact O-N 3.08Å; P158-F160 VanDerWaalsContact C-N 3.28Å; P158-F160 PolarHBondContact O-N 3.08Å; F160-R162 PolarHBondContact O-N 3.11Å; F160-Y164 WeakPolarHBondContact O-CB 3.12Å; F160-Y164 PolarHBondContact O-N 3.35Å; F160-F165 HydrophobicContact CD1-CE2 4.42Å; F160-F165 HydrophobicContact CE1-CE2 4.08Å; F160-W172 HydrophobicContact CD2-CB 3.4Å; F160-W172 VanDerWaalsContact CD2-CB 3.4Å; F160-W172 AromaticContact CD2-CG 3.87Å; F160-W172 HydrophobicContact CD2-CG 3.87Å; F160-W172 HydrophobicContact CE2-CB 3.39Å; F160-W172 HydrophobicContact CE2-CG 4.33Å; F160-V176 HydrophobicContact CE2-CG2 3.68Å; F160-V176 HydrophobicContact CZ-CG2 4.1Å; F160-L573 HydrophobicContact CE1-CB 4.33Å; F160-T600 HydrophobicContact CB-CG2 4.38Å; F160-T600 HydrophobicContact CD1-CG2 3.68Å; F160-T600 HydrophobicContact CD2-CG2 3.61Å; F160-T600 HydrophobicContact CE1-CG2 3.79Å; F160-T600 HydrophobicContact CE2-CG2 3.69Å; F160-T600 HydrophobicContact CG-CG2 3.61Å; F160-T600 HydrophobicContact CZ-CG2 3.78Å
161F97.1Very high95.6Very high12 Ų1231.1 Ų31.15%0.05316%0.161CC..Hα-helixtrans-60.7-49.2-177174.3-97000111.3E159 F165 R233 F237 G574 L608 A611 M612E159-F161 PolarHBondContact O-N 3.38Å; E159-F161 VanDerWaalsContact O-N 3.14Å; F161-F165 HydrophobicContact CD2-CB 4.26Å; F161-F165 AromaticContact CD2-CD2 3.65Å; F161-F165 HydrophobicContact CD2-CD2 3.65Å; F161-F165 HydrophobicContact CD2-CE2 4.37Å; F161-F165 HydrophobicContact CD2-CG 4.18Å; F161-F165 HydrophobicContact CE2-CB 3.88Å; F161-F165 AromaticContact CE2-CD2 3.97Å; F161-F165 HydrophobicContact CE2-CD2 3.97Å; F161-F165 HydrophobicContact CE2-CG 4.03Å; F161-F165 HydrophobicContact CG-CD2 4.46Å; F161-F165 HydrophobicContact CZ-CB 4.26Å; F161-F165 VanDerWaalsContact O-CB 3.31Å; F161-F165 WeakPolarHBondContact O-CB 3.36Å; F161-F165 PolarHBondContact O-N 3.46Å; F161-R233 HydrophobicContact CD2-CB 4.27Å; F161-R233 HydrophobicContact CD2-CG 4.1Å; F161-R233 HydrophobicContact CE2-CB 4.28Å; F161-R233 HydrophobicContact CE2-CG 3.91Å; F161-F237 AromaticContact CE2-CE1 3.69Å; F161-F237 HydrophobicContact CE2-CE1 3.69Å; F161-F237 HydrophobicContact CE2-CZ 4.3Å; F161-F237 AromaticContact CZ-CE1 3.76Å; F161-F237 HydrophobicContact CZ-CE1 3.76Å; F161-F237 HydrophobicContact CZ-CZ 4.29Å; F161-G574 WeakPolarHBondContact CD2-O 3.46Å; F161-L608 HydrophobicContact CD1-CD1 4.07Å; F161-L608 HydrophobicContact CD2-CD1 4.46Å; F161-L608 HydrophobicContact CE1-CD1 3.33Å; F161-L608 HydrophobicContact CE2-CD1 3.82Å; F161-L608 HydrophobicContact CZ-CD1 3.19Å; F161-A611 HydrophobicContact CD1-CB 3.78Å; F161-A611 HydrophobicContact CE1-CB 4.2Å; F161-M612 HydrophobicContact CE1-CE 3.3Å; F161-M612 HydrophobicContact CZ-CE 3.42Å; F161-M612 VanDerWaalsContact CZ-CE 3.42Å
162R95.9Very high95.5Very high50 Ų5030.7 Ų30.719%0.18916%0.159CC..Iπ-helixtrans-66.8-49.7-179.6-174.7-175.6162.5104.7-0.1111E159 F160 Y164 L166 E167 A611 E614E159-R162 PolarHBondContact O-N 2.97Å; E159-R162 VanDerWaalsContact O-N 3.09Å; F160-R162 PolarHBondContact O-N 3.11Å; R162-Y164 PolarHBondContact O-N 3.33Å; R162-L166 HydrophobicContact CG-CB 4.44Å; R162-L166 HydrophobicContact CG-CD2 3.97Å; R162-L166 WeakPolarHBondContact O-CA 3.48Å; R162-L166 VanDerWaalsContact O-CB 3.29Å; R162-L166 WeakPolarHBondContact O-CB 3.47Å; R162-L166 PolarHBondContact O-N 3.33Å; R162-L166 VanDerWaalsContact O-N 3.1Å; R162-E167 IonicContact CZ-OE1 2.79Å; R162-E167 IonicContact NE-OE1 3.56Å; R162-E167 PolarHBondContact NE-OE1 3.44Å; R162-E167 IonicContact NH2-OE1 3.96Å; R162-E167 PolarHBondContact NH2-OE1 3.37Å; R162-E167 PolarHBondContact O-N 3.08Å; R162-A611 HydrophobicContact CB-CB 4.39Å; R162-A611 WeakPolarHBondContact CD-O 3.1Å; R162-A611 PolarHBondContact NH1-O 2.95Å; R162-A611 VanDerWaalsContact NH1-O 3.11Å; R162-E614 IonicContact CZ-OE1 3.31Å; R162-E614 VanDerWaalsContact CZ-OE1 3.22Å; R162-E614 IonicContact NH1-OE1 3.87Å; R162-E614 PolarHBondContact NH1-OE1 2.85Å; R162-E614 IonicContact NH1-OE2 2.86Å; R162-E614 IonicContact NH2-OE1 3.08Å; R162-E614 PolarHBondContact NH2-OE1 3.42Å; R162-E614 IonicContact NH2-OE2 3.36Å; R162-E614 PolarHBondContact NH2-OE2 2.69Å
163D95.4Very high95.4Very high11 Ų1131 Ų316%0.05916%0.16CC..Iπ-helixtrans-54.9-52.7-178.4-69.4-8.7000110.3E159 E167 G168 D169 R171 W172E159-D163 WeakPolarHBondContact CG-OD2 3.29Å; E159-D163 WeakPolarHBondContact O-CB 3.26Å; E159-D163 VanDerWaalsContact O-CG 3.25Å; E159-D163 PolarHBondContact O-N 2.9Å; D163-E167 CarbonylContact O-C 3.54Å; D163-E167 WeakPolarHBondContact O-CB 3.47Å; D163-E167 PolarHBondContact O-N 3.4Å; D163-G168 PolarHBondContact O-N 2.93Å; D163-D169 HydrophobicContact CB-CB 4.18Å; D163-D169 WeakPolarHBondContact O-CB 3.5Å; D163-D169 PolarHBondContact O-N 2.8Å; D163-R171 IonicContact OD1-NH2 3.37Å; D163-R171 IonicContact OD2-CZ 3.43Å; D163-R171 IonicContact OD2-NE 2.79Å; D163-R171 PolarHBondContact OD2-NE 3.15Å; D163-R171 IonicContact OD2-NH2 2.9Å; D163-R171 PolarHBondContact OD2-NH2 3.14Å; D163-W172 PolarHBondContact OD2-NE1 3.34Å
164Y97.1Very high95.2Very high23 Ų2333.3 Ų33.39%0.0917%0.173CC..Iπ-helixtrans-79.7-55.3-175.3-170.6-86.6000113.2F160 R162 G168 D169 Q170 I173 C199 M202F160-Y164 WeakPolarHBondContact O-CB 3.12Å; F160-Y164 PolarHBondContact O-N 3.35Å; R162-Y164 PolarHBondContact O-N 3.33Å; Y164-G168 WeakPolarHBondContact O-CA 3.34Å; Y164-G168 PolarHBondContact O-N 3.23Å; Y164-D169 WeakPolarHBondContact CA-O 3.31Å; Y164-Q170 HydrophobicContact CD2-CG 4.37Å; Y164-Q170 HydrophobicContact CE2-CB 4.49Å; Y164-Q170 HydrophobicContact CE2-CG 3.97Å; Y164-I173 HydrophobicContact CD2-CD1 4.14Å; Y164-I173 HydrophobicContact CE2-CD1 3.71Å; Y164-I173 HydrophobicContact CE2-CG1 4.15Å; Y164-C199 HydrophobicContact CD1-CB 4.01Å; Y164-C199 HydrophobicContact CE1-CB 3.4Å; Y164-C199 VanDerWaalsContact CE1-CB 3.4Å; Y164-C199 HydrophobicContact CE2-CB 4.09Å; Y164-C199 VanDerWaalsContact CZ-CB 3.43Å; Y164-C199 VanDerWaalsContact OH-CA 3.25Å; Y164-C199 WeakPolarHBondContact OH-CA 3.46Å; Y164-C199 PolarHBondContact OH-N 2.85Å; Y164-C199 VanDerWaalsContact OH-N 3.17Å; Y164-M202 HydrophobicContact CE2-SD 4.28Å; Y164-M202 PolarHBondContact OH-SD 3.22Å; Y164-M202 VanDerWaalsContact OH-SD 3.36Å
165F96.3Very high95.1Very high25 Ų2533.4 Ų33.411%0.1117%0.173CC..Iπ-helixtrans-83.4-17.6-168-65.1-82.7000113.9F160 F161 C199 D232 R233 D234 L573F160-F165 HydrophobicContact CD1-CE2 4.42Å; F160-F165 HydrophobicContact CE1-CE2 4.08Å; F161-F165 HydrophobicContact CD2-CB 4.26Å; F161-F165 AromaticContact CD2-CD2 3.65Å; F161-F165 HydrophobicContact CD2-CD2 3.65Å; F161-F165 HydrophobicContact CD2-CE2 4.37Å; F161-F165 HydrophobicContact CD2-CG 4.18Å; F161-F165 HydrophobicContact CE2-CB 3.88Å; F161-F165 AromaticContact CE2-CD2 3.97Å; F161-F165 HydrophobicContact CE2-CD2 3.97Å; F161-F165 HydrophobicContact CE2-CG 4.03Å; F161-F165 HydrophobicContact CG-CD2 4.46Å; F161-F165 HydrophobicContact CZ-CB 4.26Å; F161-F165 VanDerWaalsContact O-CB 3.31Å; F161-F165 WeakPolarHBondContact O-CB 3.36Å; F161-F165 PolarHBondContact O-N 3.46Å; F165-C199 HydrophobicContact CZ-CB 4.31Å; F165-D232 HydrophobicContact CE1-CB 3.87Å; F165-D232 HydrophobicContact CZ-CB 3.91Å; F165-R233 HydrophobicContact CE2-CB 4.46Å; F165-R233 HydrophobicContact CZ-CB 4.48Å; F165-D234 HydrophobicContact CD1-CB 3.73Å; F165-D234 HydrophobicContact CE1-CB 3.96Å; F165-D234 VanDerWaalsContact CE1-CG 3.47Å; F165-D234 WeakPolarHBondContact CE1-OD1 3.27Å; F165-L573 WeakPolarHBondContact CE2-O 3.16Å; F165-L573 WeakPolarHBondContact CZ-O 3.27Å
166L95.9Very high95.1Very high6 Ų633.1 Ų33.13%0.03117%0.172CC..Iπ-helixtrans-110.3-47.3177.2177.267.5000112.3R162 N436 R439 A440 M612R162-L166 HydrophobicContact CG-CB 4.44Å; R162-L166 HydrophobicContact CG-CD2 3.97Å; R162-L166 WeakPolarHBondContact O-CA 3.48Å; R162-L166 VanDerWaalsContact O-CB 3.29Å; R162-L166 WeakPolarHBondContact O-CB 3.47Å; R162-L166 PolarHBondContact O-N 3.33Å; R162-L166 VanDerWaalsContact O-N 3.1Å; L166-N436 HydrophobicContact CD1-CB 3.73Å; L166-N436 WeakPolarHBondContact CD1-O 3.42Å; L166-N436 HydrophobicContact CD2-CB 3.94Å; L166-N436 HydrophobicContact CG-CB 4.48Å; L166-R439 HydrophobicContact CD1-CB 4.33Å; L166-R439 HydrophobicContact CD1-CG 4.41Å; L166-R439 PolarHBondContact O-NE 3.26Å; L166-R439 VanDerWaalsContact O-NE 3.17Å; L166-R439 PolarHBondContact O-NH1 3.11Å; L166-A440 HydrophobicContact CD1-CB 4.35Å; L166-M612 HydrophobicContact CD1-SD 4.09Å; L166-M612 HydrophobicContact CD2-SD 4.03Å; L166-M612 HydrophobicContact CG-SD 4.43Å
167E95.2Very high95.2Very high89 Ų8931.9 Ų31.942%0.41617%0.166SC..Iπ-helixtrans-90.3-17.3-174.5-59.4-175.4178.400113R162 D163 D169R162-E167 IonicContact CZ-OE1 2.79Å; R162-E167 IonicContact NE-OE1 3.56Å; R162-E167 PolarHBondContact NE-OE1 3.44Å; R162-E167 IonicContact NH2-OE1 3.96Å; R162-E167 PolarHBondContact NH2-OE1 3.37Å; R162-E167 PolarHBondContact O-N 3.08Å; D163-E167 CarbonylContact O-C 3.54Å; D163-E167 WeakPolarHBondContact O-CB 3.47Å; D163-E167 PolarHBondContact O-N 3.4Å; E167-D169 VanDerWaalsContact C-N 3.28Å
168G94.9Very high95.2Very high49 Ų4935.5 Ų35.551%0.50518%0.183SC..  trans75.816.8-17800000113.5D163 Y164D163-G168 PolarHBondContact O-N 2.93Å; Y164-G168 WeakPolarHBondContact O-CA 3.34Å; Y164-G168 PolarHBondContact O-N 3.23Å
169D93.8Very high95.5Very high52 Ų5231.9 Ų31.928%0.27816%0.159SC..  trans-79.9116.1178-173.9-11.5000110.6D163 Y164 E167 R171D163-D169 HydrophobicContact CB-CB 4.18Å; D163-D169 WeakPolarHBondContact O-CB 3.5Å; D163-D169 PolarHBondContact O-N 2.8Å; Y164-D169 WeakPolarHBondContact CA-O 3.31Å; E167-D169 VanDerWaalsContact C-N 3.28Å; D169-R171 WeakPolarHBondContact OD1-CB 3.28Å; D169-R171 WeakPolarHBondContact OD1-CD 3.4Å; D169-R171 WeakPolarHBondContact OD1-CG 3.49Å; D169-R171 PolarHBondContact OD1-N 3.23Å; D169-R171 WeakPolarHBondContact OD2-CD 3.2Å; D169-R171 IonicContact OD2-CZ 2.87Å; D169-R171 IonicContact OD2-NE 3.37Å; D169-R171 PolarHBondContact OD2-NE 2.9Å; D169-R171 IonicContact OD2-NH1 2.63Å
170Q95Very high95.8Very high109 Ų10930.8 Ų30.851%0.50915%0.154SC..  trans-95.35.9-174.3-58.3175.8-3.700113.1Y164 W172 I173 M202Y164-Q170 HydrophobicContact CD2-CG 4.37Å; Y164-Q170 HydrophobicContact CE2-CB 4.49Å; Y164-Q170 HydrophobicContact CE2-CG 3.97Å; Q170-W172 PolarHBondContact O-N 2.84Å; Q170-I173 HydrophobicContact CB-CG1 4.22Å; Q170-I173 WeakPolarHBondContact O-CB 3.44Å; Q170-I173 VanDerWaalsContact O-CG1 3.25Å; Q170-I173 WeakPolarHBondContact O-CG1 3.35Å; Q170-I173 PolarHBondContact O-N 3.3Å; Q170-I173 VanDerWaalsContact O-N 3.08Å; Q170-M202 HydrophobicContact CB-CE 4.12Å; Q170-M202 VanDerWaalsContact CD-CE 3.43Å; Q170-M202 HydrophobicContact CG-CE 3.99Å
171R90.9Very high95.7Very high77 Ų7732.1 Ų32.129%0.29116%0.16SC..THydrogen-bonded Turntrans-55.8-26.4-173.668.6-172.4-177-170.6-0.5115.3Q118 F120 D163 D169Q118-R171 PolarHBondContact NE2-O 2.97Å; Q118-R171 VanDerWaalsContact NE2-O 3.08Å; F120-R171 HydrophobicContact CE1-CB 4.07Å; F120-R171 HydrophobicContact CE2-CB 4.37Å; F120-R171 VanDerWaalsContact CE2-CD 3.43Å; F120-R171 HydrophobicContact CE2-CG 4.09Å; F120-R171 HydrophobicContact CZ-CB 3.77Å; F120-R171 HydrophobicContact CZ-CG 3.72Å; D163-R171 IonicContact OD1-NH2 3.37Å; D163-R171 IonicContact OD2-CZ 3.43Å; D163-R171 IonicContact OD2-NE 2.79Å; D163-R171 PolarHBondContact OD2-NE 3.15Å; D163-R171 IonicContact OD2-NH2 2.9Å; D163-R171 PolarHBondContact OD2-NH2 3.14Å; D169-R171 WeakPolarHBondContact OD1-CB 3.28Å; D169-R171 WeakPolarHBondContact OD1-CD 3.4Å; D169-R171 WeakPolarHBondContact OD1-CG 3.49Å; D169-R171 PolarHBondContact OD1-N 3.23Å; D169-R171 WeakPolarHBondContact OD2-CD 3.2Å; D169-R171 IonicContact OD2-CZ 2.87Å; D169-R171 IonicContact OD2-NE 3.37Å; D169-R171 PolarHBondContact OD2-NE 2.9Å; D169-R171 IonicContact OD2-NH1 2.63Å
172W94Very high95.6Very high4 Ų434.1 Ų34.12%0.01517%0.172CC..THydrogen-bonded Turntrans-86.5-8.1-176.5-62.1121.6000114.3P87 P117 Q118 F120 L157 E159 F160 D163 Q170 N174 T175 V176P87-W172 HydrophobicContact CG-CH2 4.05Å; P117-W172 HydrophobicContact CG-CZ3 3.91Å; Q118-W172 HydrophobicContact CG-CZ3 4.42Å; F120-W172 HydrophobicContact CE2-CH2 4.05Å; F120-W172 HydrophobicContact CE2-CZ2 4.29Å; F120-W172 HydrophobicContact CE2-CZ3 4.39Å; F120-W172 HydrophobicContact CZ-CE3 4.18Å; F120-W172 AromaticContact CZ-CH2 3.99Å; F120-W172 HydrophobicContact CZ-CH2 3.99Å; F120-W172 HydrophobicContact CZ-CZ2 4.39Å; F120-W172 AromaticContact CZ-CZ3 3.86Å; F120-W172 HydrophobicContact CZ-CZ3 3.86Å; L157-W172 HydrophobicContact CD1-CD2 4.32Å; L157-W172 HydrophobicContact CD1-CE3 4.06Å; L157-W172 HydrophobicContact CD1-CZ3 4.49Å; L157-W172 HydrophobicContact CD2-CE3 4.41Å; L157-W172 HydrophobicContact CD2-CH2 4.09Å; L157-W172 HydrophobicContact CD2-CZ2 4.36Å; L157-W172 HydrophobicContact CD2-CZ3 4.12Å; E159-W172 HydrophobicContact CG-CZ2 4.05Å; F160-W172 HydrophobicContact CD2-CB 3.4Å; F160-W172 VanDerWaalsContact CD2-CB 3.4Å; F160-W172 AromaticContact CD2-CG 3.87Å; F160-W172 HydrophobicContact CD2-CG 3.87Å; F160-W172 HydrophobicContact CE2-CB 3.39Å; F160-W172 HydrophobicContact CE2-CG 4.33Å; D163-W172 PolarHBondContact OD2-NE1 3.34Å; Q170-W172 PolarHBondContact O-N 2.84Å; W172-N174 VanDerWaalsContact C-N 3.27Å; W172-N174 PolarHBondContact O-N 2.95Å; W172-T175 WeakPolarHBondContact O-CB 3.27Å; W172-T175 PolarHBondContact O-N 3.03Å; W172-V176 PolarHBondContact O-N 3.41Å; W172-V176 VanDerWaalsContact O-N 3.13Å
173I96.2Very high95.6Very high11 Ų1131.8 Ų31.86%0.05616%0.163CC..Hα-helixtrans-58.1-41.8179.3-64.3-61000111.1Y164 Q170 T175 V176 A177 C199 M202 L206Y164-I173 HydrophobicContact CD2-CD1 4.14Å; Y164-I173 HydrophobicContact CE2-CD1 3.71Å; Y164-I173 HydrophobicContact CE2-CG1 4.15Å; Q170-I173 HydrophobicContact CB-CG1 4.22Å; Q170-I173 WeakPolarHBondContact O-CB 3.44Å; Q170-I173 VanDerWaalsContact O-CG1 3.25Å; Q170-I173 WeakPolarHBondContact O-CG1 3.35Å; Q170-I173 PolarHBondContact O-N 3.3Å; Q170-I173 VanDerWaalsContact O-N 3.08Å; I173-T175 VanDerWaalsContact C-N 3.33Å; I173-T175 PolarHBondContact O-N 3.45Å; I173-V176 PolarHBondContact O-N 2.87Å; I173-A177 PolarHBondContact O-N 2.84Å; I173-C199 HydrophobicContact CD1-CB 4.42Å; I173-C199 WeakPolarHBondContact CD1-SG 3.26Å; I173-M202 HydrophobicContact CD1-CB 4.23Å; I173-M202 HydrophobicContact CG1-CB 4.49Å; I173-M202 HydrophobicContact CG1-CE 4Å; I173-M202 HydrophobicContact CG2-CB 4.04Å; I173-L206 HydrophobicContact CG2-CD2 4.06Å
174N94.8Very high95.5Very high50 Ų5031.6 Ų31.627%0.26716%0.162SC..Hα-helixtrans-60.5-41175.4-178.556.8000112.6Q118 W172 V176 A177 Q178 L206Q118-N174 PolarHBondContact OE1-ND2 3.13Å; W172-N174 VanDerWaalsContact C-N 3.27Å; W172-N174 PolarHBondContact O-N 2.95Å; N174-V176 VanDerWaalsContact C-N 3.31Å; N174-V176 PolarHBondContact O-N 2.96Å; N174-A177 PolarHBondContact O-N 3.41Å; N174-Q178 PolarHBondContact ND2-NE2 2.89Å; N174-Q178 WeakPolarHBondContact O-CB 3.43Å; N174-Q178 VanDerWaalsContact O-CG 3.29Å; N174-Q178 WeakPolarHBondContact O-CG 3.45Å; N174-Q178 PolarHBondContact O-N 2.7Å; N174-L206 HydrophobicContact CB-CD2 4.02Å
175T95.6Very high95.2Very high1 Ų132.4 Ų32.41%0.00617%0.17CC..Hα-helixtrans-63.4-39.4177.7-49.20000111.9P117 Q118 M155 L157 W172 I173 A179P117-T175 HydrophobicContact CB-CG2 3.98Å; P117-T175 HydrophobicContact CG-CG2 3.41Å; P117-T175 VanDerWaalsContact CG-CG2 3.41Å; Q118-T175 VanDerWaalsContact CD-OG1 3.29Å; Q118-T175 PolarHBondContact NE2-OG1 3.27Å; M155-T175 HydrophobicContact CE-CG2 3.36Å; L157-T175 HydrophobicContact CD1-CG2 4.28Å; W172-T175 WeakPolarHBondContact O-CB 3.27Å; W172-T175 PolarHBondContact O-N 3.03Å; I173-T175 VanDerWaalsContact C-N 3.33Å; I173-T175 PolarHBondContact O-N 3.45Å; T175-A179 WeakPolarHBondContact O-CB 3.4Å; T175-A179 PolarHBondContact O-N 3.38Å
176V97.9Very high95Very high2 Ų232.6 Ų32.61%0.01217%0.171CC..Hα-helixtrans-64.2-49.2175.2178.60000109.8M155 F160 W172 I173 N174 Q178 A179 L180 A203 L573 T600M155-V176 HydrophobicContact CE-CG2 3.97Å; M155-V176 HydrophobicContact SD-CG2 3.97Å; F160-V176 HydrophobicContact CE2-CG2 3.68Å; F160-V176 HydrophobicContact CZ-CG2 4.1Å; W172-V176 PolarHBondContact O-N 3.41Å; W172-V176 VanDerWaalsContact O-N 3.13Å; I173-V176 PolarHBondContact O-N 2.87Å; N174-V176 VanDerWaalsContact C-N 3.31Å; N174-V176 PolarHBondContact O-N 2.96Å; V176-Q178 PolarHBondContact O-N 2.86Å; V176-A179 WeakPolarHBondContact O-CB 3.38Å; V176-A179 PolarHBondContact O-N 2.93Å; V176-A179 VanDerWaalsContact O-N 3.13Å; V176-L180 HydrophobicContact CG1-CD1 4.25Å; V176-L180 HydrophobicContact CG1-CG 4.46Å; V176-L180 WeakPolarHBondContact O-CG 3.44Å; V176-L180 PolarHBondContact O-N 2.86Å; V176-A203 HydrophobicContact CB-CB 4.16Å; V176-A203 HydrophobicContact CG1-CB 3.68Å; V176-L573 HydrophobicContact CB-CD2 4.45Å; V176-L573 HydrophobicContact CG1-CD2 3.63Å; V176-L573 HydrophobicContact CG2-CD2 3.92Å; V176-T600 HydrophobicContact CG2-CG2 4.48Å
177A97.6Very high94.9Very high0 Ų032.9 Ų32.90%017%0.172CC..Hα-helixtrans-59.4-44.1179.800000112.5I173 N174 A179 L180 H181 L206 W207 L210I173-A177 PolarHBondContact O-N 2.84Å; N174-A177 PolarHBondContact O-N 3.41Å; A177-A179 VanDerWaalsContact C-N 3.33Å; A177-A179 PolarHBondContact O-N 3.04Å; A177-L180 PolarHBondContact O-N 2.99Å; A177-H181 WeakPolarHBondContact O-CB 3.37Å; A177-H181 PolarHBondContact O-N 2.79Å; A177-L206 HydrophobicContact CB-CB 3.89Å; A177-L206 HydrophobicContact CB-CD2 3.79Å; A177-L206 HydrophobicContact CB-CG 3.68Å; A177-W207 HydrophobicContact CB-CB 4.07Å; A177-L210 HydrophobicContact CB-CD1 4.08Å
178Q96.3Very high94.7Very high76 Ų7628.8 Ų28.836%0.35515%0.154SC..Hα-helixtrans-63.6-36.4175.1-72.8178.6-11.400112.7N174 V176 H181 L182 L210N174-Q178 PolarHBondContact ND2-NE2 2.89Å; N174-Q178 WeakPolarHBondContact O-CB 3.43Å; N174-Q178 VanDerWaalsContact O-CG 3.29Å; N174-Q178 WeakPolarHBondContact O-CG 3.45Å; N174-Q178 PolarHBondContact O-N 2.7Å; V176-Q178 PolarHBondContact O-N 2.86Å; Q178-H181 PolarHBondContact O-N 2.76Å; Q178-L182 WeakPolarHBondContact O-CB 3.29Å; Q178-L182 PolarHBondContact O-N 3.01Å; Q178-L210 HydrophobicContact CG-CD1 4.31Å
179A97.2Very high94.6Very high0 Ų027.2 Ų27.20%013%0.134CC..Hα-helixtrans-67-42.6175.500000111.7L145 M155 T175 V176 A177 H181 L182 L183L145-A179 HydrophobicContact CD1-CB 4.18Å; L145-A179 HydrophobicContact CD2-CB 3.95Å; L145-A179 HydrophobicContact CG-CB 3.93Å; M155-A179 HydrophobicContact CE-CB 4.49Å; T175-A179 WeakPolarHBondContact O-CB 3.4Å; T175-A179 PolarHBondContact O-N 3.38Å; V176-A179 WeakPolarHBondContact O-CB 3.38Å; V176-A179 PolarHBondContact O-N 2.93Å; V176-A179 VanDerWaalsContact O-N 3.13Å; A177-A179 VanDerWaalsContact C-N 3.33Å; A177-A179 PolarHBondContact O-N 3.04Å; A179-H181 VanDerWaalsContact C-N 3.35Å; A179-L182 PolarHBondContact O-N 3.34Å; A179-L183 WeakPolarHBondContact O-CG 3.17Å; A179-L183 PolarHBondContact O-N 2.79Å
180L97.5Very high94.6Very high0 Ų025.1 Ų25.10%012%0.123CC..Hα-helixtrans-63.7-42.5174.2-64.7178.6000111.5V176 A177 L183 S184 W207 I228 L230 V571 L598V176-L180 HydrophobicContact CG1-CD1 4.25Å; V176-L180 HydrophobicContact CG1-CG 4.46Å; V176-L180 WeakPolarHBondContact O-CG 3.44Å; V176-L180 PolarHBondContact O-N 2.86Å; A177-L180 PolarHBondContact O-N 2.99Å; L180-L183 PolarHBondContact O-N 3.12Å; L180-S184 PolarHBondContact O-N 2.71Å; L180-W207 HydrophobicContact CB-CB 4.32Å; L180-W207 HydrophobicContact CB-CD2 3.71Å; L180-W207 HydrophobicContact CB-CE3 4.17Å; L180-W207 HydrophobicContact CB-CG 3.74Å; L180-W207 HydrophobicContact CD1-CB 4.38Å; L180-W207 HydrophobicContact CD1-CD2 4.2Å; L180-W207 HydrophobicContact CD1-CE3 3.9Å; L180-W207 HydrophobicContact CD1-CG 4.39Å; L180-I228 HydrophobicContact CD2-CD1 3.79Å; L180-L230 HydrophobicContact CD1-CD2 3.92Å; L180-V571 HydrophobicContact CD2-CG2 4.01Å; L180-L598 HydrophobicContact CD2-CD2 4.06Å
181H95.3Very high94.6Very high27 Ų2719.9 Ų19.913%0.12510%0.099CC..Hα-helixtrans-57.1-52.8174.4-170.260000110.9A177 Q178 A179 L183 S184 T185 L210 E214A177-H181 WeakPolarHBondContact O-CB 3.37Å; A177-H181 PolarHBondContact O-N 2.79Å; Q178-H181 PolarHBondContact O-N 2.76Å; A179-H181 VanDerWaalsContact C-N 3.35Å; H181-L183 VanDerWaalsContact C-N 3.32Å; H181-L183 PolarHBondContact O-N 2.76Å; H181-S184 WeakPolarHBondContact O-CA 3.49Å; H181-S184 PolarHBondContact O-N 3.22Å; H181-S184 PolarHBondContact O-OG 3.39Å; H181-T185 PolarHBondContact O-N 2.91Å; H181-T185 PolarHBondContact O-OG1 3.05Å; H181-L210 HydrophobicContact CB-CD1 4.34Å; H181-E214 IonicContact CD2-OE1 3.45Å; H181-E214 VanDerWaalsContact CE1-CD 3.41Å; H181-E214 IonicContact CE1-OE1 3.63Å; H181-E214 IonicContact CE1-OE2 3.85Å; H181-E214 PolarHBondContact CE1-OE2 2.63Å; H181-E214 IonicContact NE2-OE1 2.64Å; H181-E214 PolarHBondContact NE2-OE1 3.02Å; H181-E214 IonicContact NE2-OE2 2.74Å; H181-E214 PolarHBondContact NE2-OE2 3.1Å
182L94.8Very high94.9Very high55 Ų5516.3 Ų16.329%0.2889%0.085SC..Hα-helixtrans-56.2-43.1177.5178.460000112.6L18 L145 Q178 A179 T185 L186L18-L182 HydrophobicContact CD2-CD2 4.08Å; L18-L182 HydrophobicContact CD2-CG 4.36Å; L145-L182 HydrophobicContact CD1-CD2 4.2Å; Q178-L182 WeakPolarHBondContact O-CB 3.29Å; Q178-L182 PolarHBondContact O-N 3.01Å; A179-L182 PolarHBondContact O-N 3.34Å; L182-T185 PolarHBondContact O-N 2.81Å; L182-L186 HydrophobicContact CD1-CD1 3.81Å; L182-L186 HydrophobicContact CD1-CG 4.01Å; L182-L186 HydrophobicContact CG-CD1 4.05Å; L182-L186 WeakPolarHBondContact O-CB 3.47Å; L182-L186 VanDerWaalsContact O-CG 3.3Å; L182-L186 WeakPolarHBondContact O-CG 3.32Å; L182-L186 PolarHBondContact O-N 2.82Å
183L95.7Very high95Very high1 Ų116.2 Ų16.21%0.0059%0.085CC..Hα-helixtrans-63.5-43.1175.4-71.1175000111.7F15 L18 L145 L153 A179 L180 H181 T185 L186 Y187 F190 L569 L598F15-L183 HydrophobicContact CE1-CD2 4.4Å; L18-L183 HydrophobicContact CD1-CD2 4.29Å; L145-L183 HydrophobicContact CD1-CD1 4.19Å; L145-L183 HydrophobicContact CD1-CD2 3.83Å; L145-L183 HydrophobicContact CD1-CG 3.68Å; L153-L183 HydrophobicContact CD1-CD1 4.29Å; L153-L183 HydrophobicContact CD1-CD2 3.96Å; A179-L183 WeakPolarHBondContact O-CG 3.17Å; A179-L183 PolarHBondContact O-N 2.79Å; L180-L183 PolarHBondContact O-N 3.12Å; H181-L183 VanDerWaalsContact C-N 3.32Å; H181-L183 PolarHBondContact O-N 2.76Å; L183-T185 VanDerWaalsContact C-N 3.34Å; L183-T185 PolarHBondContact O-N 3.2Å; L183-L186 PolarHBondContact O-N 3.28Å; L183-Y187 HydrophobicContact CD2-CD2 3.91Å; L183-Y187 HydrophobicContact CD2-CE2 3.77Å; L183-Y187 WeakPolarHBondContact O-CB 3.16Å; L183-Y187 WeakPolarHBondContact O-CD2 3.4Å; L183-Y187 PolarHBondContact O-N 3.01Å; L183-F190 HydrophobicContact CB-CZ 4.09Å; L183-L569 HydrophobicContact CD1-CD2 3.92Å; L183-L598 HydrophobicContact CD1-CD2 4.05Å
184S93.1Very high95.1Very high6 Ų615.8 Ų15.84%0.0428%0.083CC..Hα-helixtrans-64.3-37.8177.975.90000112.5L180 H181 G188L180-S184 PolarHBondContact O-N 2.71Å; H181-S184 WeakPolarHBondContact O-CA 3.49Å; H181-S184 PolarHBondContact O-N 3.22Å; H181-S184 PolarHBondContact O-OG 3.39Å; S184-G188 WeakPolarHBondContact CA-O 3.36Å; S184-G188 CarbonylContact O-C 3.53Å; S184-G188 WeakPolarHBondContact O-CA 3.26Å; S184-G188 PolarHBondContact O-N 3.07Å; S184-G188 VanDerWaalsContact O-O 3.12Å
185T91.9Very high95.3Very high41 Ų4113.4 Ų13.425%0.2527%0.07SC..Hα-helixtrans-66-44.1175.3-52.70000110.7H181 L182 L183 T218 R221H181-T185 PolarHBondContact O-N 2.91Å; H181-T185 PolarHBondContact O-OG1 3.05Å; L182-T185 PolarHBondContact O-N 2.81Å; L183-T185 VanDerWaalsContact C-N 3.34Å; L183-T185 PolarHBondContact O-N 3.2Å; T185-T218 HydrophobicContact CG2-CG2 3.97Å; T185-R221 PolarHBondContact O-NH1 3.23Å
186L92.1Very high95.4Very high28 Ų2813.4 Ų13.415%0.1477%0.07CC..Hα-helixtrans-77.7-35.8-175.7-70179000114.4M17 L18 L21 L182 L183 R221M17-L186 HydrophobicContact SD-CD2 3.88Å; L18-L186 HydrophobicContact CD2-CD1 3.55Å; L18-L186 HydrophobicContact CG-CD1 4.49Å; L21-L186 HydrophobicContact CD1-CD1 3.99Å; L21-L186 HydrophobicContact CD1-CD2 4.29Å; L182-L186 HydrophobicContact CD1-CD1 3.81Å; L182-L186 HydrophobicContact CD1-CG 4.01Å; L182-L186 HydrophobicContact CG-CD1 4.05Å; L182-L186 WeakPolarHBondContact O-CB 3.47Å; L182-L186 VanDerWaalsContact O-CG 3.3Å; L182-L186 WeakPolarHBondContact O-CG 3.32Å; L182-L186 PolarHBondContact O-N 2.82Å; L183-L186 PolarHBondContact O-N 3.28Å; L186-R221 VanDerWaalsContact C-NH1 3.26Å; L186-R221 PolarHBondContact O-NH1 3.08Å
187Y92.8Very high95.4Very high13 Ų1313.3 Ų13.35%0.0517%0.07CC..Hα-helixtrans-119.510.8-171.2-56.1-73000113.5P13 D14 F15 L183 E224P13-Y187 HydrophobicContact CB-CD1 3.68Å; P13-Y187 HydrophobicContact CB-CE1 3.69Å; D14-Y187 PolarHBondContact O-OH 2.97Å; F15-Y187 WeakPolarHBondContact CA-OH 3.47Å; F15-Y187 HydrophobicContact CD1-CE1 4.45Å; F15-Y187 AromaticContact CD1-CE2 3.8Å; F15-Y187 HydrophobicContact CD1-CE2 3.8Å; F15-Y187 AromaticContact CD1-CZ 3.62Å; F15-Y187 WeakPolarHBondContact CD1-OH 3.37Å; F15-Y187 HydrophobicContact CE1-CD2 4.25Å; F15-Y187 HydrophobicContact CE1-CE1 4.37Å; F15-Y187 AromaticContact CE1-CE2 3.69Å; F15-Y187 HydrophobicContact CE1-CE2 3.69Å; F15-Y187 AromaticContact CE1-CZ 3.77Å; L183-Y187 HydrophobicContact CD2-CD2 3.91Å; L183-Y187 HydrophobicContact CD2-CE2 3.77Å; L183-Y187 WeakPolarHBondContact O-CB 3.16Å; L183-Y187 WeakPolarHBondContact O-CD2 3.4Å; L183-Y187 PolarHBondContact O-N 3.01Å; Y187-E224 VanDerWaalsContact O-CB 3.28Å; Y187-E224 WeakPolarHBondContact O-CB 3.43Å; Y187-E224 WeakPolarHBondContact O-CG 3.13Å; Y187-E224 PolarHBondContact O-N 3.29Å; Y187-E224 VanDerWaalsContact O-N 3.09Å
188G91.8Very high95.4Very high2 Ų221.3 Ų21.32%0.02110%0.1CC..  trans81.7170.5-177.800000112.9S184S184-G188 WeakPolarHBondContact CA-O 3.36Å; S184-G188 CarbonylContact O-C 3.53Å; S184-G188 WeakPolarHBondContact O-CA 3.26Å; S184-G188 PolarHBondContact O-N 3.07Å; S184-G188 VanDerWaalsContact O-O 3.12Å
189P92.4Very high95.4Very high16 Ų1617.7 Ų17.710%0.1048%0.083CC..  trans-74.3155.1-173.733.3-37.1000111.4P191 R221 P223 K556P189-P191 WeakPolarHBondContact O-CD 3.17Å; P189-R221 WeakPolarHBondContact CD-O 3.45Å; P189-P223 HydrophobicContact CG-CG 4.35Å; P189-P223 WeakPolarHBondContact O-CB 3.36Å; P189-K556 HydrophobicContact CB-CD 3.68Å; P189-K556 HydrophobicContact CG-CD 3.64Å; P189-K556 HydrophobicContact CG-CG 4.2Å
190F94.3Very high95.5Very high8 Ų817.7 Ų17.74%0.0358%0.083CC..  trans-90.9114.8175.8-53.9-81.7000110.4L183 W207 I225 I228 L569L183-F190 HydrophobicContact CB-CZ 4.09Å; F190-W207 HydrophobicContact CB-CH2 4.32Å; F190-W207 AromaticContact CD2-CH2 3.38Å; F190-W207 HydrophobicContact CD2-CH2 3.38Å; F190-W207 AromaticContact CD2-CZ2 3.52Å; F190-W207 HydrophobicContact CD2-CZ2 3.52Å; F190-W207 HydrophobicContact CD2-CZ3 4.49Å; F190-W207 HydrophobicContact CE2-CH2 4.07Å; F190-W207 AromaticContact CE2-CZ2 3.92Å; F190-W207 HydrophobicContact CE2-CZ2 3.92Å; F190-W207 HydrophobicContact CG-CH2 4.25Å; F190-I225 HydrophobicContact CD1-CB 3.92Å; F190-I225 HydrophobicContact CD1-CG2 3.93Å; F190-I225 HydrophobicContact CE1-CB 3.77Å; F190-I225 HydrophobicContact CE1-CD1 3.94Å; F190-I225 HydrophobicContact CE1-CG1 4.43Å; F190-I225 HydrophobicContact CE1-CG2 3.89Å; F190-I228 HydrophobicContact CB-CB 4.29Å; F190-I228 HydrophobicContact CB-CG2 3.79Å; F190-I228 HydrophobicContact CD1-CB 4.13Å; F190-I228 HydrophobicContact CD2-CD1 4.38Å; F190-I228 HydrophobicContact CE2-CD1 4.33Å; F190-I228 HydrophobicContact CG-CB 4.16Å; F190-I228 HydrophobicContact CG-CG2 4.08Å; F190-I228 HydrophobicContact CZ-CD1 4.49Å; F190-L569 HydrophobicContact CE1-CB 4.47Å; F190-L569 HydrophobicContact CE1-CD2 3.8Å; F190-L569 HydrophobicContact CZ-CD2 3.76Å
191P94.2Very high95.5Very high0 Ų021.7 Ų21.70%010%0.1CC..SBendtrans-67.7-38.1-177.8-23.234.6000113.3P189 P223 I225 G226 T552 D553 K556 E557 A560P189-P191 WeakPolarHBondContact O-CD 3.17Å; P191-P223 HydrophobicContact CG-CB 3.66Å; P191-P223 HydrophobicContact CG-CG 3.55Å; P191-I225 WeakPolarHBondContact CD-O 3.38Å; P191-G226 WeakPolarHBondContact CD-O 3.34Å; P191-T552 CarbonylContact O-C 3.58Å; P191-T552 WeakPolarHBondContact O-CA 3.38Å; P191-D553 PolarHBondContact O-N 3.23Å; P191-K556 HydrophobicContact CB-CB 4.18Å; P191-K556 HydrophobicContact CG-CB 4.17Å; P191-E557 HydrophobicContact CB-CB 3.95Å; P191-E557 HydrophobicContact CB-CG 4.49Å; P191-A560 HydrophobicContact CG-CB 4.4Å
192N96.9Very high95.6Very high2 Ų222.9 Ų22.91%0.01111%0.107CC..EExtended strand (participates in β ladder)trans-119.9117.3-175.1-66.7-74000110.3Y194 G226 H227 I228 T552 E557N192-Y194 HydrophobicContact CB-CE2 3.92Å; N192-G226 WeakPolarHBondContact CB-O 3.49Å; N192-G226 PolarHBondContact N-O 2.65Å; N192-G226 PolarHBondContact ND2-O 3.46Å; N192-H227 WeakPolarHBondContact CB-ND1 3.32Å; N192-H227 PolarHBondContact ND2-CE1 3.21Å; N192-H227 VanDerWaalsContact ND2-CE1 3.33Å; N192-H227 CarbonylContact O-C 3.59Å; N192-H227 WeakPolarHBondContact O-CA 3.16Å; N192-I228 PolarHBondContact O-N 2.93Å; N192-T552 WeakPolarHBondContact OD1-CG2 3.48Å; N192-T552 PolarHBondContact OD1-OG1 3.22Å; N192-E557 PolarHBondContact OD1-OE2 3.36Å
193C97.8Very high95.8Very high2 Ų220.2 Ų20.21%0.0149%0.093CC..EExtended strand (participates in β ladder)trans-117.6130.4178.5-173.10000110.1Y204 I228 A550 F551C193-Y204 HydrophobicContact CB-CE2 4.07Å; C193-Y204 WeakPolarHBondContact SG-CD2 3.31Å; C193-Y204 WeakPolarHBondContact SG-CE2 3.37Å; C193-I228 WeakPolarHBondContact CA-O 3.49Å; C193-I228 HydrophobicContact CB-CG2 3.74Å; C193-A550 CarbonylContact O-C 3.46Å; C193-A550 WeakPolarHBondContact O-CA 3.34Å; C193-F551 HydrophobicContact CB-CB 4.39Å; C193-F551 PolarHBondContact N-O 2.99Å; C193-F551 PolarHBondContact O-N 2.81Å
194Y98.5Very high95.9Very high1 Ų121.6 Ų21.60%0.00410%0.098CC..EExtended strand (participates in β ladder)trans-129.1143.4174.1-50.6-81000108.5N192 H227 I228 F229 L230 V528 R532 F549 A550N192-Y194 HydrophobicContact CB-CE2 3.92Å; Y194-H227 AromaticContact CE2-ND1 3.85Å; Y194-I228 PolarHBondContact N-O 3.12Å; Y194-F229 HydrophobicContact CD2-CD1 4.22Å; Y194-F229 HydrophobicContact CD2-CD2 4.33Å; Y194-F229 AromaticContact CD2-CE1 3.68Å; Y194-F229 HydrophobicContact CD2-CE1 3.68Å; Y194-F229 AromaticContact CD2-CE2 3.8Å; Y194-F229 HydrophobicContact CD2-CE2 3.8Å; Y194-F229 AromaticContact CD2-CZ 3.43Å; Y194-F229 HydrophobicContact CD2-CZ 3.43Å; Y194-F229 VanDerWaalsContact CD2-CZ 3.43Å; Y194-F229 HydrophobicContact CE2-CE2 4.28Å; Y194-F229 AromaticContact CE2-CZ 3.95Å; Y194-F229 HydrophobicContact CE2-CZ 3.95Å; Y194-F229 HydrophobicContact CG-CD1 4.34Å; Y194-F229 AromaticContact CG-CE1 3.87Å; Y194-F229 HydrophobicContact CG-CE1 3.87Å; Y194-F229 HydrophobicContact CG-CZ 4.09Å; Y194-F229 CarbonylContact O-C 3.58Å; Y194-F229 VanDerWaalsContact O-CA 3.24Å; Y194-F229 WeakPolarHBondContact O-CA 3.43Å; Y194-L230 PolarHBondContact O-N 3.37Å; Y194-V528 HydrophobicContact CD1-CG1 3.51Å; Y194-V528 HydrophobicContact CD2-CG1 4.14Å; Y194-V528 HydrophobicContact CE1-CG1 3.8Å; Y194-V528 HydrophobicContact CE2-CG1 4.38Å; Y194-V528 HydrophobicContact CG-CG1 3.69Å; Y194-R532 PolarHBondContact OH-O 3.04Å; Y194-F549 WeakPolarHBondContact CA-O 3.37Å; Y194-A550 HydrophobicContact CD1-CB 3.86Å; Y194-A550 HydrophobicContact CE1-CB 4.24Å
195G98.2Very high96Very high0 Ų025.9 Ų25.90%012%0.118CC..EExtended strand (participates in β ladder)trans-155.4160.4169.400000114.2L230 W534 D548 F549G195-L230 CarbonylContact C-O 3.54Å; G195-L230 WeakPolarHBondContact CA-O 3.37Å; G195-W534 WeakPolarHBondContact O-CZ2 3.21Å; G195-D548 CarbonylContact O-C 3.5Å; G195-D548 VanDerWaalsContact O-CA 3.25Å; G195-D548 WeakPolarHBondContact O-CA 3.29Å; G195-F549 VanDerWaalsContact CA-CE1 3.43Å; G195-F549 VanDerWaalsContact CA-CZ 3.49Å; G195-F549 PolarHBondContact N-O 3.46Å; G195-F549 PolarHBondContact O-N 2.97Å
196I98.3Very high96.3Very high1 Ų126.4 Ų26.41%0.00512%0.119CC..EExtended strand (participates in β ladder)trans-144.1125.1-178-171.5168.1000109.4L230 L231 D232 V235 I524 W534 V541 L544 C546 S547I196-L230 PolarHBondContact N-O 3.43Å; I196-L231 HydrophobicContact CG2-CB 4.38Å; I196-L231 HydrophobicContact CG2-CD2 4.06Å; I196-L231 HydrophobicContact CG2-CG 4.11Å; I196-D232 PolarHBondContact O-N 2.6Å; I196-D232 VanDerWaalsContact O-N 3.15Å; I196-V235 HydrophobicContact CD1-CG1 3.95Å; I196-V235 HydrophobicContact CG1-CG1 4.22Å; I196-V235 HydrophobicContact CG1-CG2 4.11Å; I196-V235 HydrophobicContact CG2-CG1 4.2Å; I196-V235 HydrophobicContact CG2-CG2 4.33Å; I196-I524 HydrophobicContact CD1-CD1 4.29Å; I196-W534 HydrophobicContact CB-CH2 3.66Å; I196-W534 HydrophobicContact CB-CZ2 4.11Å; I196-W534 HydrophobicContact CB-CZ3 4.4Å; I196-W534 HydrophobicContact CD1-CH2 4.05Å; I196-W534 HydrophobicContact CD1-CZ3 3.95Å; I196-W534 HydrophobicContact CG1-CH2 4.38Å; I196-W534 HydrophobicContact CG2-CH2 3.93Å; I196-V541 HydrophobicContact CD1-CG2 4.32Å; I196-L544 HydrophobicContact CD1-CD1 4.27Å; I196-C546 HydrophobicContact CG1-CB 4.49Å; I196-C546 WeakPolarHBondContact CG1-SG 3.37Å; I196-S547 WeakPolarHBondContact CA-O 3.4Å
197G97.4Very high96.5Very high1 Ų125.3 Ų25.31%0.0111%0.113CC..SBendtrans113.5163-17500000113.9K201 D232 S547G197-K201 WeakPolarHBondContact O-CB 3.02Å; G197-K201 PolarHBondContact O-N 3.48Å; G197-D232 WeakPolarHBondContact CA-OD2 3.47Å; G197-S547 PolarHBondContact N-O 3.32Å
198R96.4Very high96.5Very high167 Ų16727.1 Ų27.163%0.6312%0.119SC*.Hα-helixtrans-77.8-40.2-176.5-68.1-176.1-65.6-159.9-2.3111.7K201 M202 D232R198-K201 PolarHBondContact O-N 3.49Å; R198-M202 VanDerWaalsContact O-CG 3.28Å; R198-M202 WeakPolarHBondContact O-CG 3.5Å; R198-M202 PolarHBondContact O-N 3.5Å; R198-D232 PolarHBondContact N-OD2 3.05Å
199C97.6Very high96.7Very high0 Ų031 Ų310%014%0.14CC..Hα-helixtrans-63.4-45.6176.9-169.10000110.1Y164 F165 I173 K201 M202 A203 D232 L573Y164-C199 HydrophobicContact CD1-CB 4.01Å; Y164-C199 HydrophobicContact CE1-CB 3.4Å; Y164-C199 VanDerWaalsContact CE1-CB 3.4Å; Y164-C199 HydrophobicContact CE2-CB 4.09Å; Y164-C199 VanDerWaalsContact CZ-CB 3.43Å; Y164-C199 VanDerWaalsContact OH-CA 3.25Å; Y164-C199 WeakPolarHBondContact OH-CA 3.46Å; Y164-C199 PolarHBondContact OH-N 2.85Å; Y164-C199 VanDerWaalsContact OH-N 3.17Å; F165-C199 HydrophobicContact CZ-CB 4.31Å; I173-C199 HydrophobicContact CD1-CB 4.42Å; I173-C199 WeakPolarHBondContact CD1-SG 3.26Å; C199-K201 VanDerWaalsContact C-N 3.33Å; C199-K201 PolarHBondContact O-N 3.48Å; C199-M202 PolarHBondContact O-N 2.93Å; C199-A203 WeakPolarHBondContact O-CB 3.35Å; C199-A203 PolarHBondContact O-N 3.29Å; C199-D232 VanDerWaalsContact CB-OD1 3.22Å; C199-D232 WeakPolarHBondContact CB-OD1 3.43Å; C199-D232 VanDerWaalsContact CB-OD2 3.31Å; C199-D232 WeakPolarHBondContact CB-OD2 3.45Å; C199-D232 PolarHBondContact N-OD2 3.47Å; C199-L573 HydrophobicContact CB-CB 4.5Å; C199-L573 HydrophobicContact CB-CD1 4.13Å
200A98.2Very high96.7Very high0 Ų032 Ų320%014%0.144CC..Hα-helixtrans-54.7-48.3174.600000111.5A203 Y204 L230 D232 F549 L573A200-A203 PolarHBondContact O-N 3.36Å; A200-Y204 VanDerWaalsContact O-CB 3.29Å; A200-Y204 WeakPolarHBondContact O-CB 3.26Å; A200-Y204 PolarHBondContact O-N 2.89Å; A200-L230 HydrophobicContact CB-CB 3.64Å; A200-D232 VanDerWaalsContact CB-OD1 3.29Å; A200-D232 WeakPolarHBondContact CB-OD1 3.44Å; A200-D232 PolarHBondContact N-OD1 3.06Å; A200-F549 HydrophobicContact CB-CE1 4.08Å; A200-L573 VanDerWaalsContact CA-CD1 3.41Å; A200-L573 HydrophobicContact CB-CD1 3.99Å
201K97.7Very high96.4Very high84 Ų8433.4 Ų33.437%0.36515%0.15SC..Hα-helixtrans-63.2-47.4178.5-176.5172.5176.1174.50112.2G197 R198 C199 A203 Y204 E205 F549G197-K201 WeakPolarHBondContact O-CB 3.02Å; G197-K201 PolarHBondContact O-N 3.48Å; R198-K201 PolarHBondContact O-N 3.49Å; C199-K201 VanDerWaalsContact C-N 3.33Å; C199-K201 PolarHBondContact O-N 3.48Å; K201-A203 PolarHBondContact O-N 3Å; K201-Y204 PolarHBondContact O-N 2.77Å; K201-E205 WeakPolarHBondContact CE-OE1 3.43Å; K201-E205 HydrophobicContact CG-CG 4.44Å; K201-E205 IonicContact NZ-OE1 3.61Å; K201-E205 WeakPolarHBondContact O-CG 3.45Å; K201-E205 PolarHBondContact O-N 2.96Å; K201-F549 HydrophobicContact CB-CD1 4.15Å; K201-F549 HydrophobicContact CB-CE1 4.09Å; K201-F549 HydrophobicContact CG-CD1 4.48Å
202M97.8Very high96Very high52 Ų5239.9 Ų39.926%0.25618%0.181SC..Hα-helixtrans-61.6-44.2178.4-70.1172.971.300112.5Y164 Q170 I173 R198 C199 Y204 E205 L206Y164-M202 HydrophobicContact CE2-SD 4.28Å; Y164-M202 PolarHBondContact OH-SD 3.22Å; Y164-M202 VanDerWaalsContact OH-SD 3.36Å; Q170-M202 HydrophobicContact CB-CE 4.12Å; Q170-M202 VanDerWaalsContact CD-CE 3.43Å; Q170-M202 HydrophobicContact CG-CE 3.99Å; I173-M202 HydrophobicContact CD1-CB 4.23Å; I173-M202 HydrophobicContact CG1-CB 4.49Å; I173-M202 HydrophobicContact CG1-CE 4Å; I173-M202 HydrophobicContact CG2-CB 4.04Å; R198-M202 VanDerWaalsContact O-CG 3.28Å; R198-M202 WeakPolarHBondContact O-CG 3.5Å; R198-M202 PolarHBondContact O-N 3.5Å; C199-M202 PolarHBondContact O-N 2.93Å; M202-Y204 VanDerWaalsContact C-N 3.34Å; M202-E205 PolarHBondContact O-N 3.16Å; M202-L206 WeakPolarHBondContact O-CB 3.37Å; M202-L206 PolarHBondContact O-N 3.28Å
203A98Very high95.5Very high0 Ų047.1 Ų47.10%022%0.215CC..Hα-helixtrans-64.5-40.5177.900000111.6V176 C199 A200 K201 W207 L230 L573V176-A203 HydrophobicContact CB-CB 4.16Å; V176-A203 HydrophobicContact CG1-CB 3.68Å; C199-A203 WeakPolarHBondContact O-CB 3.35Å; C199-A203 PolarHBondContact O-N 3.29Å; A200-A203 PolarHBondContact O-N 3.36Å; K201-A203 PolarHBondContact O-N 3Å; A203-W207 VanDerWaalsContact O-CB 3.27Å; A203-W207 WeakPolarHBondContact O-CB 3.12Å; A203-W207 PolarHBondContact O-N 3.44Å; A203-L230 HydrophobicContact CB-CD2 4.42Å; A203-L573 HydrophobicContact CB-CD1 4.48Å
204Y97.8Very high94.6Very high30 Ų3050.5 Ų50.512%0.11823%0.23CC..Hα-helixtrans-62.8-51.2174.6172.3-103.9000111.9C193 A200 K201 M202 L206 W207 R208 F549 F551C193-Y204 HydrophobicContact CB-CE2 4.07Å; C193-Y204 WeakPolarHBondContact SG-CD2 3.31Å; C193-Y204 WeakPolarHBondContact SG-CE2 3.37Å; A200-Y204 VanDerWaalsContact O-CB 3.29Å; A200-Y204 WeakPolarHBondContact O-CB 3.26Å; A200-Y204 PolarHBondContact O-N 2.89Å; K201-Y204 PolarHBondContact O-N 2.77Å; M202-Y204 VanDerWaalsContact C-N 3.34Å; Y204-L206 VanDerWaalsContact C-N 3.33Å; Y204-L206 PolarHBondContact O-N 2.85Å; Y204-W207 AromaticContact CD2-CE3 3.98Å; Y204-W207 HydrophobicContact CD2-CE3 3.98Å; Y204-W207 HydrophobicContact CD2-CZ3 4.02Å; Y204-W207 HydrophobicContact CE2-CZ3 4.27Å; Y204-W207 PolarHBondContact O-N 3.28Å; Y204-R208 HydrophobicContact CD1-CG 4.35Å; Y204-R208 HydrophobicContact CD2-CG 4.1Å; Y204-R208 HydrophobicContact CE1-CG 3.94Å; Y204-R208 HydrophobicContact CE2-CG 3.66Å; Y204-R208 HydrophobicContact CG-CG 4.43Å; Y204-R208 VanDerWaalsContact O-CG 3.28Å; Y204-R208 WeakPolarHBondContact O-CG 3.46Å; Y204-R208 PolarHBondContact O-N 2.83Å; Y204-F549 HydrophobicContact CD1-CD2 4.02Å; Y204-F549 AromaticContact CD1-CE2 3.75Å; Y204-F549 HydrophobicContact CD1-CE2 3.75Å; Y204-F549 HydrophobicContact CD1-CZ 4.27Å; Y204-F549 AromaticContact CD2-CE2 3.88Å; Y204-F549 HydrophobicContact CD2-CE2 3.88Å; Y204-F549 HydrophobicContact CD2-CZ 4.47Å; Y204-F549 HydrophobicContact CE1-CD2 4.25Å; Y204-F549 HydrophobicContact CE1-CE2 4.27Å; Y204-F549 HydrophobicContact CE2-CE2 4.39Å; Y204-F549 HydrophobicContact CG-CD2 4.26Å; Y204-F549 AromaticContact CG-CE2 3.52Å; Y204-F549 HydrophobicContact CG-CE2 3.52Å; Y204-F549 AromaticContact CG-CZ 3.87Å; Y204-F549 HydrophobicContact CG-CZ 3.87Å; Y204-F551 VanDerWaalsContact OH-CB 3.3Å; Y204-F551 WeakPolarHBondContact OH-CB 3.34Å; Y204-F551 VanDerWaalsContact OH-CG 3.31Å; Y204-F551 WeakPolarHBondContact OH-CG 3.33Å
205E97.3Very high92.5Very high96 Ų9657.7 Ų57.745%0.44927%0.269SS..Hα-helixtrans-59.2-43.4-179.9-73.6172.6171.300111.7K201 M202 R208 N209K201-E205 WeakPolarHBondContact CE-OE1 3.43Å; K201-E205 HydrophobicContact CG-CG 4.44Å; K201-E205 IonicContact NZ-OE1 3.61Å; K201-E205 WeakPolarHBondContact O-CG 3.45Å; K201-E205 PolarHBondContact O-N 2.96Å; M202-E205 PolarHBondContact O-N 3.16Å; E205-R208 PolarHBondContact O-N 2.71Å; E205-N209 VanDerWaalsContact O-CG 3.31Å; E205-N209 PolarHBondContact O-N 3.25Å; E205-N209 VanDerWaalsContact O-N 3.11Å; E205-N209 PolarHBondContact O-OD1 2.79Å
206L97.3Very high90.6Very high52 Ų5259.3 Ų59.327%0.27229%0.285SS..Hα-helixtrans-67.1-41.9177.1-17759.9000112.3I173 N174 A177 M202 Y204 R208 N209 L210I173-L206 HydrophobicContact CG2-CD2 4.06Å; N174-L206 HydrophobicContact CB-CD2 4.02Å; A177-L206 HydrophobicContact CB-CB 3.89Å; A177-L206 HydrophobicContact CB-CD2 3.79Å; A177-L206 HydrophobicContact CB-CG 3.68Å; M202-L206 WeakPolarHBondContact O-CB 3.37Å; M202-L206 PolarHBondContact O-N 3.28Å; Y204-L206 VanDerWaalsContact C-N 3.33Å; Y204-L206 PolarHBondContact O-N 2.85Å; L206-R208 VanDerWaalsContact C-N 3.3Å; L206-R208 PolarHBondContact O-N 3.18Å; L206-N209 PolarHBondContact O-N 2.8Å; L206-L210 WeakPolarHBondContact O-CG 3.42Å; L206-L210 PolarHBondContact O-N 2.61Å; L206-L210 VanDerWaalsContact O-N 3.12Å
207W96.3Very high88.5Confident5 Ų568.3 Ų68.32%0.01933%0.327CS..Hα-helixtrans-60.8-40.3175.2168.838.2000111.7A177 L180 F190 A203 Y204 N209 L210 E211 I228A177-W207 HydrophobicContact CB-CB 4.07Å; L180-W207 HydrophobicContact CB-CB 4.32Å; L180-W207 HydrophobicContact CB-CD2 3.71Å; L180-W207 HydrophobicContact CB-CE3 4.17Å; L180-W207 HydrophobicContact CB-CG 3.74Å; L180-W207 HydrophobicContact CD1-CB 4.38Å; L180-W207 HydrophobicContact CD1-CD2 4.2Å; L180-W207 HydrophobicContact CD1-CE3 3.9Å; L180-W207 HydrophobicContact CD1-CG 4.39Å; F190-W207 HydrophobicContact CB-CH2 4.32Å; F190-W207 AromaticContact CD2-CH2 3.38Å; F190-W207 HydrophobicContact CD2-CH2 3.38Å; F190-W207 AromaticContact CD2-CZ2 3.52Å; F190-W207 HydrophobicContact CD2-CZ2 3.52Å; F190-W207 HydrophobicContact CD2-CZ3 4.49Å; F190-W207 HydrophobicContact CE2-CH2 4.07Å; F190-W207 AromaticContact CE2-CZ2 3.92Å; F190-W207 HydrophobicContact CE2-CZ2 3.92Å; F190-W207 HydrophobicContact CG-CH2 4.25Å; A203-W207 VanDerWaalsContact O-CB 3.27Å; A203-W207 WeakPolarHBondContact O-CB 3.12Å; A203-W207 PolarHBondContact O-N 3.44Å; Y204-W207 AromaticContact CD2-CE3 3.98Å; Y204-W207 HydrophobicContact CD2-CE3 3.98Å; Y204-W207 HydrophobicContact CD2-CZ3 4.02Å; Y204-W207 HydrophobicContact CE2-CZ3 4.27Å; Y204-W207 PolarHBondContact O-N 3.28Å; W207-N209 VanDerWaalsContact C-N 3.35Å; W207-N209 PolarHBondContact O-N 2.88Å; W207-L210 WeakPolarHBondContact O-CB 3.4Å; W207-L210 PolarHBondContact O-N 2.95Å; W207-E211 WeakPolarHBondContact CZ2-OE1 3.14Å; W207-E211 PolarHBondContact O-N 3.29Å; W207-I228 HydrophobicContact CZ3-CD1 4.39Å
208R93.4Very high86.5Confident51 Ų5170.3 Ų70.319%0.19234%0.339CS..Hα-helixtrans-62.1-40175.8-72.1-60-54.7166.25.6112.8Y204 E205 L206 L210 E211 E212Y204-R208 HydrophobicContact CD1-CG 4.35Å; Y204-R208 HydrophobicContact CD2-CG 4.1Å; Y204-R208 HydrophobicContact CE1-CG 3.94Å; Y204-R208 HydrophobicContact CE2-CG 3.66Å; Y204-R208 HydrophobicContact CG-CG 4.43Å; Y204-R208 VanDerWaalsContact O-CG 3.28Å; Y204-R208 WeakPolarHBondContact O-CG 3.46Å; Y204-R208 PolarHBondContact O-N 2.83Å; E205-R208 PolarHBondContact O-N 2.71Å; L206-R208 VanDerWaalsContact C-N 3.3Å; L206-R208 PolarHBondContact O-N 3.18Å; R208-L210 VanDerWaalsContact C-N 3.35Å; R208-E211 IonicContact CZ-OE2 2.79Å; R208-E211 IonicContact NE-OE2 3.53Å; R208-E211 IonicContact NH1-OE2 3.4Å; R208-E211 PolarHBondContact NH1-OE2 3.03Å; R208-E211 PolarHBondContact O-N 2.99Å; R208-E212 IonicContact NH2-OE1 2.74Å; R208-E212 WeakPolarHBondContact O-CG 3.46Å; R208-E212 PolarHBondContact O-N 3.36Å; R208-E212 VanDerWaalsContact O-N 3.11Å
209N94.4Very high84.8Confident84 Ų8470.1 Ų70.145%0.44934%0.343SS..Hα-helixtrans-62.8-42.3174.6-64.5-15000111.4E205 L206 W207 E211 E212 E213E205-N209 VanDerWaalsContact O-CG 3.31Å; E205-N209 PolarHBondContact O-N 3.25Å; E205-N209 VanDerWaalsContact O-N 3.11Å; E205-N209 PolarHBondContact O-OD1 2.79Å; L206-N209 PolarHBondContact O-N 2.8Å; W207-N209 VanDerWaalsContact C-N 3.35Å; W207-N209 PolarHBondContact O-N 2.88Å; N209-E211 VanDerWaalsContact C-N 3.33Å; N209-E211 PolarHBondContact O-N 3.16Å; N209-E212 PolarHBondContact O-N 3.46Å; N209-E212 VanDerWaalsContact O-N 3.14Å; N209-E213 WeakPolarHBondContact O-CG 3.42Å; N209-E213 PolarHBondContact O-N 3.13Å
210L92.6Very high83.2Confident37 Ų3773.5 Ų73.519%0.19438%0.378CS..Hα-helixtrans-61.2-39.8176-65.2173.3000112.2A177 Q178 H181 L206 W207 R208 E212 E214A177-L210 HydrophobicContact CB-CD1 4.08Å; Q178-L210 HydrophobicContact CG-CD1 4.31Å; H181-L210 HydrophobicContact CB-CD1 4.34Å; L206-L210 WeakPolarHBondContact O-CG 3.42Å; L206-L210 PolarHBondContact O-N 2.61Å; L206-L210 VanDerWaalsContact O-N 3.12Å; W207-L210 WeakPolarHBondContact O-CB 3.4Å; W207-L210 PolarHBondContact O-N 2.95Å; R208-L210 VanDerWaalsContact C-N 3.35Å; L210-E212 VanDerWaalsContact C-N 3.3Å; L210-E212 PolarHBondContact O-N 3.46Å; L210-E214 PolarHBondContact O-N 3.48Å
211E88.3Confident82.5Confident36 Ų3680 Ų8017%0.16840%0.402CS..Hα-helixtrans-66.6-30.3175.6-73.5-170.3133.500113W207 R208 N209W207-E211 WeakPolarHBondContact CZ2-OE1 3.14Å; W207-E211 PolarHBondContact O-N 3.29Å; R208-E211 IonicContact CZ-OE2 2.79Å; R208-E211 IonicContact NE-OE2 3.53Å; R208-E211 IonicContact NH1-OE2 3.4Å; R208-E211 PolarHBondContact NH1-OE2 3.03Å; R208-E211 PolarHBondContact O-N 2.99Å; N209-E211 VanDerWaalsContact C-N 3.33Å; N209-E211 PolarHBondContact O-N 3.16Å
212E86.8Confident82.1Confident136 Ų13685 Ų8564%0.63642%0.419SS*.Hα-helixtrans-79.6-30.6179.6-73.8176-167.700112.9R208 N209 L210 E214R208-E212 IonicContact NH2-OE1 2.74Å; R208-E212 WeakPolarHBondContact O-CG 3.46Å; R208-E212 PolarHBondContact O-N 3.36Å; R208-E212 VanDerWaalsContact O-N 3.11Å; N209-E212 PolarHBondContact O-N 3.46Å; N209-E212 VanDerWaalsContact O-N 3.14Å; L210-E212 VanDerWaalsContact C-N 3.3Å; L210-E212 PolarHBondContact O-N 3.46Å; E212-E214 VanDerWaalsContact C-N 3.33Å
213E85.1Confident81.8Confident155 Ų15582.8 Ų82.872%0.72441%0.408SS*.Hα-helixtrans-74.7-19.5176.5-71.7177-173.600113.3N209 D215N209-E213 WeakPolarHBondContact O-CG 3.42Å; N209-E213 PolarHBondContact O-N 3.13Å; E213-D215 PolarHBondContact O-N 3.34Å
214E79Confident81.6Confident73 Ų7386.8 Ų86.834%0.34143%0.427SS..SBendtrans-80.5115.6179.5-103.5-173.8-172.500113.4H181 L210 E212 G216H181-E214 IonicContact CD2-OE1 3.45Å; H181-E214 VanDerWaalsContact CE1-CD 3.41Å; H181-E214 IonicContact CE1-OE1 3.63Å; H181-E214 IonicContact CE1-OE2 3.85Å; H181-E214 PolarHBondContact CE1-OE2 2.63Å; H181-E214 IonicContact NE2-OE1 2.64Å; H181-E214 PolarHBondContact NE2-OE1 3.02Å; H181-E214 IonicContact NE2-OE2 2.74Å; H181-E214 PolarHBondContact NE2-OE2 3.1Å; L210-E214 PolarHBondContact O-N 3.48Å; E212-E214 VanDerWaalsContact C-N 3.33Å; E214-G216 PolarHBondContact O-N 3.31Å
215D55.7Low81.6Confident152 Ų15285.4 Ų85.481%0.81342%0.422SS*.  trans-75.493.2172.3-94.4-27.1000111.8E213 E217E213-D215 PolarHBondContact O-N 3.34Å; D215-E217 PolarHBondContact O-N 2.87Å; D215-E217 VanDerWaalsContact O-N 3.12Å
216G57.1Low81.5Confident34 Ų3480.9 Ų80.935%0.35140%0.4SS..SBendtrans85.6-18.1141.900000120E214 K219E214-G216 PolarHBondContact O-N 3.31Å; G216-K219 WeakPolarHBondContact O-CB 3.37Å; G216-K219 PolarHBondContact O-N 3.23Å
217E54.5Low81.5Confident190 Ų19078.8 Ų78.889%0.88839%0.389SS*.THydrogen-bonded Turntrans-73.5-30.4-176.9-70.8-163.6160.800114.1D215 K219D215-E217 PolarHBondContact O-N 2.87Å; D215-E217 VanDerWaalsContact O-N 3.12Å; E217-K219 VanDerWaalsContact C-N 3.34Å
218T54.5Low81.6Confident42 Ų4278.5 Ų78.526%0.25839%0.388SS..THydrogen-bonded Turntrans-82.9-9.1175.549.40000113.4T185 G220T185-T218 HydrophobicContact CG2-CG2 3.97Å; T218-G220 VanDerWaalsContact C-N 3.27Å; T218-G220 PolarHBondContact O-N 3.04Å
219K60.7Low81.9Confident164 Ų16476.2 Ų76.271%0.71338%0.38SS*.THydrogen-bonded Turntrans-73.974.4-178.5-64.2-175-172.7164.40111.1G216 E217G216-K219 WeakPolarHBondContact O-CB 3.37Å; G216-K219 PolarHBondContact O-N 3.23Å; E217-K219 VanDerWaalsContact C-N 3.34Å
220G65.7Low82.1Confident71 Ų7172.2 Ų72.273%0.73236%0.358SS*.THydrogen-bonded Turntrans162.4-16.7173.200000115.8T218T218-G220 VanDerWaalsContact C-N 3.27Å; T218-G220 PolarHBondContact O-N 3.04Å
221R82.3Confident82.3Confident135 Ų13570.7 Ų70.751%0.50935%0.35SS..PPolyproline II helixtrans-66.2135.9174.7-74.6-175173.7-154.3-10.8110.2T185 L186 P189T185-R221 PolarHBondContact O-NH1 3.23Å; L186-R221 VanDerWaalsContact C-NH1 3.26Å; L186-R221 PolarHBondContact O-NH1 3.08Å; P189-R221 WeakPolarHBondContact CD-O 3.45Å
222R88.9Confident82.8Confident191 Ų19169.1 Ų69.172%0.72134%0.343SS*.PPolyproline II helixtrans-76.9146.5173.5-65.9-174.7-177.1-174.3-0.8108.9E224R222-E224 PolarHBondContact O-N 2.89Å
223P92.3Very high83.3Confident4 Ų462.8 Ų62.83%0.02631%0.313CS..PPolyproline II helixtrans-59122173-24.734.9000111.7P189 P191 K556 A560 S564P189-P223 HydrophobicContact CG-CG 4.35Å; P189-P223 WeakPolarHBondContact O-CB 3.36Å; P191-P223 HydrophobicContact CG-CB 3.66Å; P191-P223 HydrophobicContact CG-CG 3.55Å; P223-K556 HydrophobicContact CG-CB 4.32Å; P223-K556 WeakPolarHBondContact CG-O 3.29Å; P223-A560 HydrophobicContact CB-CB 4.01Å; P223-A560 HydrophobicContact CG-CB 4.1Å; P223-S564 VanDerWaalsContact O-CB 3.29Å; P223-S564 WeakPolarHBondContact O-CB 3.45Å; P223-S564 PolarHBondContact O-OG 2.77Å
224E94.4Very high83.9Confident84 Ų8458.2 Ų58.239%0.39329%0.294SS..SBendtrans-86.8-31.5166.7-64-176.3-16100111.4Y187 R222 S564 L567Y187-E224 VanDerWaalsContact O-CB 3.28Å; Y187-E224 WeakPolarHBondContact O-CB 3.43Å; Y187-E224 WeakPolarHBondContact O-CG 3.13Å; Y187-E224 PolarHBondContact O-N 3.29Å; Y187-E224 VanDerWaalsContact O-N 3.09Å; R222-E224 PolarHBondContact O-N 2.89Å; E224-S564 VanDerWaalsContact O-CA 3.32Å; E224-S564 WeakPolarHBondContact O-CA 3.49Å; E224-S564 WeakPolarHBondContact O-CB 3.3Å; E224-L567 VanDerWaalsContact O-CD1 3.24Å; E224-L567 WeakPolarHBondContact O-CD1 3.34Å
225I96.3Very high84.7Confident2 Ų255.1 Ų55.11%0.0128%0.28CS..  trans-115.4120.3179.2-57.4168.8000108.9P13 F190 P191 L567 L569 I596P13-I225 HydrophobicContact CG-CD1 4.35Å; P13-I225 HydrophobicContact CG-CG1 4.2Å; F190-I225 HydrophobicContact CD1-CB 3.92Å; F190-I225 HydrophobicContact CD1-CG2 3.93Å; F190-I225 HydrophobicContact CE1-CB 3.77Å; F190-I225 HydrophobicContact CE1-CD1 3.94Å; F190-I225 HydrophobicContact CE1-CG1 4.43Å; F190-I225 HydrophobicContact CE1-CG2 3.89Å; P191-I225 WeakPolarHBondContact CD-O 3.38Å; I225-L567 HydrophobicContact CG2-CB 4.46Å; I225-L569 HydrophobicContact CG2-CB 3.96Å; I225-I596 HydrophobicContact CD1-CD1 3.75Å; I225-I596 HydrophobicContact CG1-CD1 4.01Å
226G95.6Very high86.7Confident0 Ų048 Ų480%024%0.242CC..  trans-84.2-27.6-170.600000115P191 N192 S564 L567P191-G226 WeakPolarHBondContact CD-O 3.34Å; N192-G226 WeakPolarHBondContact CB-O 3.49Å; N192-G226 PolarHBondContact N-O 2.65Å; N192-G226 PolarHBondContact ND2-O 3.46Å; G226-S564 VanDerWaalsContact CA-O 3.29Å; G226-S564 WeakPolarHBondContact CA-O 3.01Å; G226-S564 PolarHBondContact N-O 3.42Å; G226-L567 PolarHBondContact N-O 2.88Å
227H97.6Very high88.6Confident8 Ų847.5 Ų47.54%0.03723%0.23CC..EExtended strand (participates in β ladder)trans-133.2139.2-176.8-58.2-78.9000111.4N192 Y194 F229 L565 L567 I568 L569N192-H227 WeakPolarHBondContact CB-ND1 3.32Å; N192-H227 PolarHBondContact ND2-CE1 3.21Å; N192-H227 VanDerWaalsContact ND2-CE1 3.33Å; N192-H227 CarbonylContact O-C 3.59Å; N192-H227 WeakPolarHBondContact O-CA 3.16Å; Y194-H227 AromaticContact CE2-ND1 3.85Å; H227-F229 HydrophobicContact CB-CE2 4.25Å; H227-L565 PolarHBondContact CD2-O 2.91Å; H227-L565 PolarHBondContact NE2-O 2.81Å; H227-L565 VanDerWaalsContact NE2-O 3.15Å; H227-L567 PolarHBondContact N-O 3.14Å; H227-I568 HydrophobicContact CB-CB 4.47Å; H227-I568 HydrophobicContact CB-CG1 4.17Å; H227-I568 HydrophobicContact CB-CG2 4.16Å; H227-I568 WeakPolarHBondContact O-CA 3.44Å; H227-L569 PolarHBondContact O-N 3.49Å
228I98.6Very high90.7Very high0 Ų038.7 Ų38.70%019%0.189CC..EExtended strand (participates in β ladder)trans-125.1135.4168.7-170.7176.7000110.4L180 F190 N192 C193 Y194 W207 L230 L569 V571L180-I228 HydrophobicContact CD2-CD1 3.79Å; F190-I228 HydrophobicContact CB-CB 4.29Å; F190-I228 HydrophobicContact CB-CG2 3.79Å; F190-I228 HydrophobicContact CD1-CB 4.13Å; F190-I228 HydrophobicContact CD2-CD1 4.38Å; F190-I228 HydrophobicContact CE2-CD1 4.33Å; F190-I228 HydrophobicContact CG-CB 4.16Å; F190-I228 HydrophobicContact CG-CG2 4.08Å; F190-I228 HydrophobicContact CZ-CD1 4.49Å; N192-I228 PolarHBondContact O-N 2.93Å; C193-I228 WeakPolarHBondContact CA-O 3.49Å; C193-I228 HydrophobicContact CB-CG2 3.74Å; Y194-I228 PolarHBondContact N-O 3.12Å; W207-I228 HydrophobicContact CZ3-CD1 4.39Å; I228-L230 HydrophobicContact CD1-CD1 3.95Å; I228-L230 HydrophobicContact CG1-CD1 3.9Å; I228-L230 HydrophobicContact CG2-CD1 4.48Å; I228-L569 CarbonylContact C-O 3.32Å; I228-L569 VanDerWaalsContact CA-O 3.26Å; I228-L569 WeakPolarHBondContact CA-O 3.49Å; I228-L569 HydrophobicContact CB-CB 4.47Å; I228-L569 HydrophobicContact CD1-CD2 3.8Å; I228-L569 HydrophobicContact CD1-CG 4.37Å; I228-L569 HydrophobicContact CG1-CB 4.19Å; I228-L569 HydrophobicContact CG1-CD2 4.03Å; I228-L569 HydrophobicContact CG1-CG 4.09Å; I228-V571 HydrophobicContact CD1-CG2 3.98Å; I228-V571 HydrophobicContact CG1-CG2 3.99Å
229F98.8Very high92.8Very high3 Ų336.7 Ų36.71%0.01318%0.177CC..EExtended strand (participates in β ladder)trans-117.9129174.1-74.8-96000110Y194 H227 L231 I525 V528 L529 I568 L569 V570 V571Y194-F229 HydrophobicContact CD2-CD1 4.22Å; Y194-F229 HydrophobicContact CD2-CD2 4.33Å; Y194-F229 AromaticContact CD2-CE1 3.68Å; Y194-F229 HydrophobicContact CD2-CE1 3.68Å; Y194-F229 AromaticContact CD2-CE2 3.8Å; Y194-F229 HydrophobicContact CD2-CE2 3.8Å; Y194-F229 AromaticContact CD2-CZ 3.43Å; Y194-F229 HydrophobicContact CD2-CZ 3.43Å; Y194-F229 VanDerWaalsContact CD2-CZ 3.43Å; Y194-F229 HydrophobicContact CE2-CE2 4.28Å; Y194-F229 AromaticContact CE2-CZ 3.95Å; Y194-F229 HydrophobicContact CE2-CZ 3.95Å; Y194-F229 HydrophobicContact CG-CD1 4.34Å; Y194-F229 AromaticContact CG-CE1 3.87Å; Y194-F229 HydrophobicContact CG-CE1 3.87Å; Y194-F229 HydrophobicContact CG-CZ 4.09Å; Y194-F229 CarbonylContact O-C 3.58Å; Y194-F229 VanDerWaalsContact O-CA 3.24Å; Y194-F229 WeakPolarHBondContact O-CA 3.43Å; H227-F229 HydrophobicContact CB-CE2 4.25Å; F229-L231 HydrophobicContact CB-CD1 3.86Å; F229-I525 HydrophobicContact CD1-CG1 3.98Å; F229-I525 HydrophobicContact CD2-CG2 4.44Å; F229-I525 HydrophobicContact CE1-CG1 4.4Å; F229-I525 HydrophobicContact CE1-CG2 4.41Å; F229-I525 HydrophobicContact CE2-CG2 4.29Å; F229-I525 HydrophobicContact CG-CG1 4.24Å; F229-I525 HydrophobicContact CZ-CG2 4.28Å; F229-V528 HydrophobicContact CE1-CB 3.79Å; F229-V528 HydrophobicContact CE1-CG1 3.59Å; F229-V528 HydrophobicContact CZ-CB 4.22Å; F229-V528 HydrophobicContact CZ-CG1 3.9Å; F229-L529 HydrophobicContact CE2-CD2 3.69Å; F229-L529 HydrophobicContact CE2-CG 3.98Å; F229-L529 HydrophobicContact CZ-CD2 3.83Å; F229-L529 HydrophobicContact CZ-CG 3.78Å; F229-I568 HydrophobicContact CD2-CG2 3.63Å; F229-I568 HydrophobicContact CE2-CG2 3.8Å; F229-L569 PolarHBondContact N-O 2.95Å; F229-V570 HydrophobicContact CB-CG1 4.4Å; F229-V571 WeakPolarHBondContact O-CA 3.37Å; F229-V571 WeakPolarHBondContact O-CB 3.45Å; F229-V571 PolarHBondContact O-N 3.02Å
230L98.8Very high94.5Very high0 Ų028.9 Ų28.90%014%0.143CC..EExtended strand (participates in β ladder)trans-112.3119.3172.2-69.379.3000109.5L180 Y194 G195 I196 A200 A203 I228 F549 V571L180-L230 HydrophobicContact CD1-CD2 3.92Å; Y194-L230 PolarHBondContact O-N 3.37Å; G195-L230 CarbonylContact C-O 3.54Å; G195-L230 WeakPolarHBondContact CA-O 3.37Å; I196-L230 PolarHBondContact N-O 3.43Å; A200-L230 HydrophobicContact CB-CB 3.64Å; A203-L230 HydrophobicContact CB-CD2 4.42Å; I228-L230 HydrophobicContact CD1-CD1 3.95Å; I228-L230 HydrophobicContact CG1-CD1 3.9Å; I228-L230 HydrophobicContact CG2-CD1 4.48Å; L230-F549 HydrophobicContact CB-CZ 4.4Å; L230-V571 HydrophobicContact CG-CB 4.2Å; L230-V571 HydrophobicContact CG-CG2 4.43Å
231L98.6Very high96Very high5 Ų525.5 Ų25.53%0.02611%0.108CC..EExtended strand (participates in β ladder)trans-126.4127.3-177.3-56.6101000111.2I196 F229 I525 V570 V571 L573I196-L231 HydrophobicContact CG2-CB 4.38Å; I196-L231 HydrophobicContact CG2-CD2 4.06Å; I196-L231 HydrophobicContact CG2-CG 4.11Å; F229-L231 HydrophobicContact CB-CD1 3.86Å; L231-I525 HydrophobicContact CD1-CD1 3.93Å; L231-I525 HydrophobicContact CD1-CG1 4.35Å; L231-I525 HydrophobicContact CD2-CD1 4.24Å; L231-I525 HydrophobicContact CD2-CG1 4.22Å; L231-V570 HydrophobicContact CD1-CG1 3.54Å; L231-V571 PolarHBondContact N-O 3.12Å; L231-L573 PolarHBondContact O-N 3.42Å
232D98.6Very high96.8Very high3 Ų319.1 Ų19.12%0.0168%0.084CC..EExtended strand (participates in β ladder)trans-77.3143.5170.1-70.48.6000111.2F165 I196 G197 R198 C199 A200 D234 V235 L573F165-D232 HydrophobicContact CE1-CB 3.87Å; F165-D232 HydrophobicContact CZ-CB 3.91Å; I196-D232 PolarHBondContact O-N 2.6Å; I196-D232 VanDerWaalsContact O-N 3.15Å; G197-D232 WeakPolarHBondContact CA-OD2 3.47Å; R198-D232 PolarHBondContact N-OD2 3.05Å; C199-D232 VanDerWaalsContact CB-OD1 3.22Å; C199-D232 WeakPolarHBondContact CB-OD1 3.43Å; C199-D232 VanDerWaalsContact CB-OD2 3.31Å; C199-D232 WeakPolarHBondContact CB-OD2 3.45Å; C199-D232 PolarHBondContact N-OD2 3.47Å; A200-D232 VanDerWaalsContact CB-OD1 3.29Å; A200-D232 WeakPolarHBondContact CB-OD1 3.44Å; A200-D232 PolarHBondContact N-OD1 3.06Å; D232-D234 VanDerWaalsContact C-N 3.27Å; D232-D234 WeakPolarHBondContact CB-OD1 3.4Å; D232-D234 PolarHBondContact O-N 2.92Å; D232-V235 HydrophobicContact CB-CG2 4.03Å; D232-V235 VanDerWaalsContact O-CB 3.3Å; D232-V235 WeakPolarHBondContact O-CB 3.21Å; D232-V235 PolarHBondContact O-N 3.46Å; D232-L573 CarbonylContact C-O 3.57Å
233R97.4Very high97.1Very high3 Ų310.3 Ų10.31%0.0115%0.052CC..G310 helixtrans-64.2-32.9179.4-179.968.7-72.1159-6.7112.7F161 F165 V235 D236 F237 L573 G575 E580F161-R233 HydrophobicContact CD2-CB 4.27Å; F161-R233 HydrophobicContact CD2-CG 4.1Å; F161-R233 HydrophobicContact CE2-CB 4.28Å; F161-R233 HydrophobicContact CE2-CG 3.91Å; F165-R233 HydrophobicContact CE2-CB 4.46Å; F165-R233 HydrophobicContact CZ-CB 4.48Å; R233-V235 PolarHBondContact O-N 3.36Å; R233-D236 VanDerWaalsContact CZ-O 3.23Å; R233-D236 PolarHBondContact NE-O 3.03Å; R233-D236 VanDerWaalsContact NE-O 3.15Å; R233-D236 PolarHBondContact NH2-O 3.44Å; R233-D236 IonicContact NH2-OD2 3.41Å; R233-D236 CarbonylContact O-C 3.51Å; R233-D236 VanDerWaalsContact O-C 3.32Å; R233-D236 PolarHBondContact O-N 2.9Å; R233-D236 VanDerWaalsContact O-N 3.09Å; R233-F237 HydrophobicContact CG-CD1 4.27Å; R233-F237 HydrophobicContact CG-CE1 4.12Å; R233-L573 WeakPolarHBondContact CB-O 3.4Å; R233-L573 PolarHBondContact N-O 3.31Å; R233-G575 WeakPolarHBondContact CD-O 3.49Å; R233-G575 PolarHBondContact NH1-O 2.86Å; R233-E580 IonicContact CZ-OE1 3.9Å; R233-E580 IonicContact CZ-OE2 2.79Å; R233-E580 VanDerWaalsContact NH1-CD 3.3Å; R233-E580 IonicContact NH1-OE1 2.71Å; R233-E580 PolarHBondContact NH1-OE1 3.36Å; R233-E580 IonicContact NH1-OE2 3.69Å; R233-E580 PolarHBondContact NH1-OE2 3.29Å; R233-E580 IonicContact NH2-OE1 3.22Å; R233-E580 PolarHBondContact NH2-OE1 3.39Å
234D95.9Very high97.2Very high59 Ų5910.3 Ų10.332%0.3165%0.052SC..G310 helixtrans-70.6-9.2-179.769.3-11.7000114.1F165 D232 D236 F237F165-D234 HydrophobicContact CD1-CB 3.73Å; F165-D234 HydrophobicContact CE1-CB 3.96Å; F165-D234 VanDerWaalsContact CE1-CG 3.47Å; F165-D234 WeakPolarHBondContact CE1-OD1 3.27Å; D232-D234 VanDerWaalsContact C-N 3.27Å; D232-D234 WeakPolarHBondContact CB-OD1 3.4Å; D232-D234 PolarHBondContact O-N 2.92Å; D234-D236 VanDerWaalsContact C-N 3.31Å; D234-F237 VanDerWaalsContact CA-CZ 3.45Å; D234-F237 HydrophobicContact CB-CD2 4.43Å; D234-F237 HydrophobicContact CB-CE1 4.26Å; D234-F237 HydrophobicContact CB-CE2 3.53Å; D234-F237 HydrophobicContact CB-CZ 3.43Å; D234-F237 VanDerWaalsContact CB-CZ 3.43Å
235V96.7Very high97.3Very high7 Ų76.9 Ų6.94%0.0424%0.036CC..G310 helixtrans-70.4-29.3168.91760000111.4I196 D232 R233 L520 I524 L544 C546I196-V235 HydrophobicContact CD1-CG1 3.95Å; I196-V235 HydrophobicContact CG1-CG1 4.22Å; I196-V235 HydrophobicContact CG1-CG2 4.11Å; I196-V235 HydrophobicContact CG2-CG1 4.2Å; I196-V235 HydrophobicContact CG2-CG2 4.33Å; D232-V235 HydrophobicContact CB-CG2 4.03Å; D232-V235 VanDerWaalsContact O-CB 3.3Å; D232-V235 WeakPolarHBondContact O-CB 3.21Å; D232-V235 PolarHBondContact O-N 3.46Å; R233-V235 PolarHBondContact O-N 3.36Å; V235-L520 WeakPolarHBondContact O-CD2 3.43Å; V235-I524 HydrophobicContact CG1-CD1 4.32Å; V235-L544 HydrophobicContact CG1-CD1 4.03Å; V235-L544 WeakPolarHBondContact O-CD2 3.46Å; V235-C546 HydrophobicContact CG2-CB 4.49Å
236D97.7Very high97.3Very high4 Ų46.8 Ų6.82%0.0214%0.036CC..  trans-146.974.2-177.2-178.512000111.7R233 D234 V238 T239 Y517 L520 S521R233-D236 VanDerWaalsContact CZ-O 3.23Å; R233-D236 PolarHBondContact NE-O 3.03Å; R233-D236 VanDerWaalsContact NE-O 3.15Å; R233-D236 PolarHBondContact NH2-O 3.44Å; R233-D236 IonicContact NH2-OD2 3.41Å; R233-D236 CarbonylContact O-C 3.51Å; R233-D236 VanDerWaalsContact O-C 3.32Å; R233-D236 PolarHBondContact O-N 2.9Å; R233-D236 VanDerWaalsContact O-N 3.09Å; D234-D236 VanDerWaalsContact C-N 3.31Å; D236-V238 VanDerWaalsContact C-N 3.3Å; D236-V238 PolarHBondContact OD1-N 3.14Å; D236-T239 PolarHBondContact OD1-N 3.3Å; D236-T239 VanDerWaalsContact OD1-N 3.07Å; D236-T239 PolarHBondContact OD1-OG1 3.12Å; D236-T239 VanDerWaalsContact OD1-OG1 3.1Å; D236-T239 VanDerWaalsContact OD2-CB 3.27Å; D236-T239 WeakPolarHBondContact OD2-CB 3.25Å; D236-T239 PolarHBondContact OD2-OG1 3.38Å; D236-Y517 PolarHBondContact OD1-OH 3.32Å; D236-L520 HydrophobicContact CB-CB 4.22Å; D236-L520 HydrophobicContact CB-CD2 4.12Å; D236-L520 HydrophobicContact CB-CG 4.32Å; D236-L520 WeakPolarHBondContact OD2-CB 3.45Å; D236-L520 PolarHBondContact OD2-N 2.9Å; D236-S521 PolarHBondContact OD2-N 3.05Å; D236-S521 PolarHBondContact OD2-OG 2.65Å
237F97.4Very high97.4Very high22 Ų226.8 Ų6.810%0.0964%0.036CC..Hα-helixtrans-70.4-27.9171.8-74.6-52.5000113.5F161 R233 D234 T239 A240 L241 I405 L442 L608F161-F237 AromaticContact CE2-CE1 3.69Å; F161-F237 HydrophobicContact CE2-CE1 3.69Å; F161-F237 HydrophobicContact CE2-CZ 4.3Å; F161-F237 AromaticContact CZ-CE1 3.76Å; F161-F237 HydrophobicContact CZ-CE1 3.76Å; F161-F237 HydrophobicContact CZ-CZ 4.29Å; R233-F237 HydrophobicContact CG-CD1 4.27Å; R233-F237 HydrophobicContact CG-CE1 4.12Å; D234-F237 VanDerWaalsContact CA-CZ 3.45Å; D234-F237 HydrophobicContact CB-CD2 4.43Å; D234-F237 HydrophobicContact CB-CE1 4.26Å; D234-F237 HydrophobicContact CB-CE2 3.53Å; D234-F237 HydrophobicContact CB-CZ 3.43Å; D234-F237 VanDerWaalsContact CB-CZ 3.43Å; F237-T239 PolarHBondContact O-N 3.04Å; F237-A240 PolarHBondContact O-N 3.41Å; F237-A240 VanDerWaalsContact O-N 3.13Å; F237-L241 HydrophobicContact CB-CD1 4.46Å; F237-L241 VanDerWaalsContact O-CG 3.31Å; F237-L241 WeakPolarHBondContact O-CG 3.18Å; F237-L241 PolarHBondContact O-N 3.14Å; F237-I405 HydrophobicContact CB-CD1 3.79Å; F237-L442 HydrophobicContact CB-CD2 3.67Å; F237-L442 HydrophobicContact CD1-CD2 3.78Å; F237-L442 HydrophobicContact CD2-CD2 3.52Å; F237-L442 HydrophobicContact CD2-CG 4.36Å; F237-L442 HydrophobicContact CE1-CD2 4.23Å; F237-L442 HydrophobicContact CE2-CD2 3.99Å; F237-L442 HydrophobicContact CE2-CG 4.37Å; F237-L442 HydrophobicContact CG-CD2 3.39Å; F237-L442 HydrophobicContact CZ-CD2 4.32Å; F237-L608 HydrophobicContact CD1-CD2 4.36Å; F237-L608 HydrophobicContact CE1-CD1 4.4Å
238V97.8Very high97.4Very high5 Ų56.6 Ų6.63%0.034%0.035CC..Hα-helixtrans-58.1-50.3-175.2174.70000110.3D236 A240 L241 C242 L371 L402 I405 F484 Y517D236-V238 VanDerWaalsContact C-N 3.3Å; D236-V238 PolarHBondContact OD1-N 3.14Å; V238-A240 VanDerWaalsContact C-N 3.29Å; V238-A240 PolarHBondContact O-N 3.47Å; V238-L241 PolarHBondContact O-N 2.84Å; V238-L241 VanDerWaalsContact O-N 3.08Å; V238-C242 PolarHBondContact O-N 3.03Å; V238-C242 PolarHBondContact O-SG 2.9Å; V238-L371 HydrophobicContact CG1-CD2 3.33Å; V238-L402 HydrophobicContact CG1-CD1 3.95Å; V238-I405 HydrophobicContact CG2-CB 4.44Å; V238-I405 HydrophobicContact CG2-CG2 3.51Å; V238-F484 HydrophobicContact CB-CE2 4.06Å; V238-F484 HydrophobicContact CG1-CE2 3.8Å; V238-F484 HydrophobicContact CG1-CZ 3.96Å; V238-F484 HydrophobicContact CG2-CD2 3.84Å; V238-F484 HydrophobicContact CG2-CE2 3.73Å; V238-F484 HydrophobicContact CG2-CZ 4.49Å; V238-Y517 HydrophobicContact CG1-CE1 4.14Å; V238-Y517 HydrophobicContact CG1-CE2 4.44Å
239T98.3Very high97.4Very high1 Ų16.6 Ų6.61%0.0064%0.035CC..Hα-helixtrans-55.4-42.4177-65.70000113D236 F237 L241 C242 F513 Y517 P519 E580D236-T239 PolarHBondContact OD1-N 3.3Å; D236-T239 VanDerWaalsContact OD1-N 3.07Å; D236-T239 PolarHBondContact OD1-OG1 3.12Å; D236-T239 VanDerWaalsContact OD1-OG1 3.1Å; D236-T239 VanDerWaalsContact OD2-CB 3.27Å; D236-T239 WeakPolarHBondContact OD2-CB 3.25Å; D236-T239 PolarHBondContact OD2-OG1 3.38Å; F237-T239 PolarHBondContact O-N 3.04Å; T239-L241 VanDerWaalsContact C-N 3.33Å; T239-C242 PolarHBondContact O-N 3.48Å; T239-F513 HydrophobicContact CG2-CE2 4.11Å; T239-F513 HydrophobicContact CG2-CZ 4.06Å; T239-Y517 WeakPolarHBondContact OG1-CE1 3.36Å; T239-Y517 PolarHBondContact OG1-OH 3.16Å; T239-P519 HydrophobicContact CG2-CB 3.85Å; T239-P519 HydrophobicContact CG2-CG 4.38Å; T239-P519 WeakPolarHBondContact OG1-CA 3.48Å; T239-E580 HydrophobicContact CG2-CG 3.43Å; T239-E580 VanDerWaalsContact CG2-CG 3.43Å
240A97.3Very high97.3Very high0 Ų06.7 Ų6.70%04%0.036CC..Hα-helixtrans-74.2-23.8-179.100000113F237 V238 T577 S605 L608F237-A240 PolarHBondContact O-N 3.41Å; F237-A240 VanDerWaalsContact O-N 3.13Å; V238-A240 VanDerWaalsContact C-N 3.29Å; V238-A240 PolarHBondContact O-N 3.47Å; A240-T577 HydrophobicContact CB-CG2 4.33Å; A240-S605 WeakPolarHBondContact O-CA 3.49Å; A240-S605 VanDerWaalsContact O-CB 3.23Å; A240-S605 WeakPolarHBondContact O-CB 3.29Å; A240-S605 PolarHBondContact O-N 2.74Å; A240-S605 VanDerWaalsContact O-N 3.07Å; A240-L608 HydrophobicContact CB-CD2 3.95Å
241L97.8Very high97.3Very high0 Ų06.7 Ų6.70%04%0.036CC..Hα-helixtrans-81-27.4174.9-70.3168.4000112.6F237 V238 T239 R398 C401 I405 L442 L608 M609F237-L241 HydrophobicContact CB-CD1 4.46Å; F237-L241 VanDerWaalsContact O-CG 3.31Å; F237-L241 WeakPolarHBondContact O-CG 3.18Å; F237-L241 PolarHBondContact O-N 3.14Å; V238-L241 PolarHBondContact O-N 2.84Å; V238-L241 VanDerWaalsContact O-N 3.08Å; T239-L241 VanDerWaalsContact C-N 3.33Å; L241-R398 HydrophobicContact CB-CG 4.34Å; L241-R398 HydrophobicContact CD2-CG 3.96Å; L241-R398 WeakPolarHBondContact O-CD 3.31Å; L241-R398 VanDerWaalsContact O-CG 3.31Å; L241-R398 WeakPolarHBondContact O-CG 3.1Å; L241-R398 PolarHBondContact O-NH1 3.39Å; L241-C401 HydrophobicContact CD1-CB 3.99Å; L241-C401 HydrophobicContact CD2-CB 4.12Å; L241-I405 HydrophobicContact CD1-CD1 3.49Å; L241-I405 VanDerWaalsContact CD1-CD1 3.49Å; L241-L442 HydrophobicContact CD1-CD2 4.35Å; L241-L608 HydrophobicContact CD2-CD2 3.88Å; L241-L608 HydrophobicContact CG-CD2 4.09Å; L241-M609 HydrophobicContact CD2-CE 3.52Å; L241-M609 HydrophobicContact CD2-SD 4.34Å
242C97.2Very high97.2Very high1 Ų16.5 Ų6.51%0.0074%0.035CC..SBendtrans-65.9152.3179.7-72.40000113.1V238 T239 E367 F513V238-C242 PolarHBondContact O-N 3.03Å; V238-C242 PolarHBondContact O-SG 2.9Å; T239-C242 PolarHBondContact O-N 3.48Å; C242-E367 VanDerWaalsContact CA-OE1 3.24Å; C242-E367 WeakPolarHBondContact CA-OE1 3.35Å; C242-E367 VanDerWaalsContact CB-OE1 3.29Å; C242-E367 WeakPolarHBondContact CB-OE1 3.49Å; C242-F513 HydrophobicContact CB-CD1 3.85Å; C242-F513 HydrophobicContact CB-CE1 3.39Å; C242-F513 HydrophobicContact CB-CE2 4.46Å; C242-F513 HydrophobicContact CB-CZ 3.73Å
243S95.4Very high97Very high6 Ų68.2 Ų8.24%0.0424%0.044CC..PPolyproline II helixtrans-74.2128.3176.1-55.90000109.5L363 I364 E367 R398 F513S243-L363 WeakPolarHBondContact OG-CD2 3.35Å; S243-I364 WeakPolarHBondContact OG-CD1 3.28Å; S243-E367 WeakPolarHBondContact CB-OE2 3.35Å; S243-E367 VanDerWaalsContact N-CD 3.27Å; S243-E367 PolarHBondContact N-OE1 3.31Å; S243-E367 PolarHBondContact N-OE2 3.48Å; S243-E367 PolarHBondContact OG-OE2 2.72Å; S243-R398 VanDerWaalsContact N-NH1 3.17Å; S243-R398 PolarHBondContact OG-NH1 3.28Å; S243-R398 PolarHBondContact OG-NH2 3.39Å; S243-F513 WeakPolarHBondContact O-CD1 3.4Å; S243-F513 WeakPolarHBondContact O-CE1 3.46Å
244Q95.4Very high96.9Very high3 Ų39 Ų91%0.0145%0.049CC..PPolyproline II helixtrans-76.3134.6177.3-57.1-176.887.900109.8L250 D253 S579Q244-L250 WeakPolarHBondContact O-CD2 3.49Å; Q244-L250 WeakPolarHBondContact O-CG 3.48Å; Q244-D253 PolarHBondContact NE2-OD1 3Å; Q244-S579 WeakPolarHBondContact CG-OG 3.48Å
245V95.3Very high96.9Very high12 Ų127.4 Ų7.47%0.0734%0.039CC..  trans-122.23.8179.2-63.50000114.1H293 F294 V512V245-H293 WeakPolarHBondContact CG2-NE2 3.3Å; V245-F294 VanDerWaalsContact O-CB 3.29Å; V245-F294 WeakPolarHBondContact O-CB 3.44Å; V245-F294 PolarHBondContact O-N 3.43Å; V245-V512 WeakPolarHBondContact CG2-O 3.44Å
246V97.1Very high96.8Very high0 Ų013 Ų130%06%0.06CC..BIsolated β-bridgetrans-79.7152.6165.4-63.60000110.4E248 G249 L250 E292 Y511 V512V246-E248 PolarHBondContact O-N 2.91Å; V246-G249 PolarHBondContact O-N 2.9Å; V246-L250 PolarHBondContact O-N 3.49Å; V246-E292 WeakPolarHBondContact CA-O 3.32Å; V246-Y511 HydrophobicContact CG1-CE2 4Å; V246-V512 HydrophobicContact CG1-CB 4.01Å; V246-V512 HydrophobicContact CG1-CG1 3.94Å
247Y97.9Very high96.8Very high0 Ų013.4 Ų13.40%06%0.062CC..Hα-helixtrans-54.2-50.4-174.5-177.3-107.9000113.6G249 L250 V251 F286 I289 E292 F294 V297 H344 I351Y247-G249 VanDerWaalsContact C-N 3.33Å; Y247-G249 PolarHBondContact O-N 2.94Å; Y247-L250 PolarHBondContact O-N 3.49Å; Y247-V251 HydrophobicContact CD1-CG2 4.18Å; Y247-V251 HydrophobicContact CD2-CG2 4.44Å; Y247-V251 HydrophobicContact CE1-CG2 3.77Å; Y247-V251 HydrophobicContact CE2-CG2 4.06Å; Y247-V251 WeakPolarHBondContact O-CG2 3.2Å; Y247-V251 PolarHBondContact O-N 3.39Å; Y247-F286 HydrophobicContact CD1-CD2 4.26Å; Y247-F286 HydrophobicContact CD1-CE2 4.14Å; Y247-F286 HydrophobicContact CE1-CD2 4.01Å; Y247-F286 HydrophobicContact CE1-CE2 4.14Å; Y247-I289 VanDerWaalsContact CB-O 3.22Å; Y247-I289 WeakPolarHBondContact CB-O 3.3Å; Y247-I289 HydrophobicContact CD1-CD1 3.74Å; Y247-I289 HydrophobicContact CD1-CG1 3.62Å; Y247-I289 HydrophobicContact CE1-CD1 3.46Å; Y247-I289 VanDerWaalsContact CE1-CD1 3.46Å; Y247-I289 HydrophobicContact CE1-CG1 3.86Å; Y247-I289 HydrophobicContact CE2-CD1 4.36Å; Y247-I289 HydrophobicContact CG-CD1 4.29Å; Y247-I289 HydrophobicContact CG-CG1 4.17Å; Y247-E292 PolarHBondContact N-O 3.14Å; Y247-F294 HydrophobicContact CD2-CD2 4.12Å; Y247-F294 HydrophobicContact CD2-CE2 4.17Å; Y247-V297 HydrophobicContact CD2-CB 4.44Å; Y247-V297 HydrophobicContact CD2-CG1 3.74Å; Y247-V297 HydrophobicContact CD2-CG2 4.19Å; Y247-V297 HydrophobicContact CE2-CG1 4.07Å; Y247-V297 HydrophobicContact CG-CG1 4.33Å; Y247-V297 HydrophobicContact CG-CG2 4.34Å; Y247-H344 AromaticContact CE1-ND1 3.61Å; Y247-H344 AromaticContact CZ-ND1 3.63Å; Y247-H344 WeakPolarHBondContact OH-CA 3.33Å; Y247-H344 PolarHBondContact OH-ND1 2.94Å; Y247-H344 PolarHBondContact OH-O 3.37Å; Y247-I351 HydrophobicContact CE2-CD1 4.48Å
248E98.3Very high96.7Very high4 Ų416.8 Ų16.82%0.0198%0.076CC..Hα-helixtrans-63.7-39.1-178.3-174.6169-156.700112.2V246 V251 D252 I257 F286 R290 F578 R585V246-E248 PolarHBondContact O-N 2.91Å; E248-V251 PolarHBondContact O-N 3.32Å; E248-D252 PolarHBondContact O-N 3.23Å; E248-I257 HydrophobicContact CG-CD1 4.1Å; E248-F286 HydrophobicContact CB-CE2 4.34Å; E248-F286 HydrophobicContact CB-CZ 4.14Å; E248-F286 HydrophobicContact CG-CE2 4.32Å; E248-F286 HydrophobicContact CG-CZ 3.74Å; E248-F286 WeakPolarHBondContact OE1-CZ 3.47Å; E248-R290 HydrophobicContact CB-CB 4.02Å; E248-R290 WeakPolarHBondContact CB-O 3.15Å; E248-R290 VanDerWaalsContact CD-NH2 3.34Å; E248-R290 PolarHBondContact N-O 3.08Å; E248-R290 IonicContact OE1-CZ 3.97Å; E248-R290 IonicContact OE1-NE 3.44Å; E248-R290 IonicContact OE1-NH2 3.24Å; E248-R290 PolarHBondContact OE1-NH2 3.27Å; E248-R290 IonicContact OE2-CZ 3.87Å; E248-R290 VanDerWaalsContact OE2-CZ 3.31Å; E248-R290 IonicContact OE2-NE 3.9Å; E248-R290 PolarHBondContact OE2-NE 2.85Å; E248-R290 IonicContact OE2-NH2 3.11Å; E248-R290 PolarHBondContact OE2-NH2 2.76Å; E248-R290 VanDerWaalsContact OE2-NH2 3.08Å; E248-F578 HydrophobicContact CB-CB 4.4Å; E248-F578 HydrophobicContact CB-CD1 4.47Å; E248-F578 HydrophobicContact CB-CG 4.39Å; E248-F578 VanDerWaalsContact CD-CE1 3.4Å; E248-F578 HydrophobicContact CG-CB 4.2Å; E248-F578 HydrophobicContact CG-CD1 3.5Å; E248-F578 VanDerWaalsContact CG-CD1 3.5Å; E248-F578 HydrophobicContact CG-CD2 4.08Å; E248-F578 HydrophobicContact CG-CE1 3.74Å; E248-F578 HydrophobicContact CG-CE2 4.3Å; E248-F578 HydrophobicContact CG-CG 3.67Å; E248-F578 HydrophobicContact CG-CZ 4.13Å; E248-F578 WeakPolarHBondContact OE1-CE1 3.13Å; E248-R585 IonicContact OE2-NH1 2.95Å
249G97.7Very high96.5Very high0 Ų016.8 Ų16.80%08%0.077CC..Hα-helixtrans-63.6-41.9174.500000112.6V246 Y247 D252 D253V246-G249 PolarHBondContact O-N 2.9Å; Y247-G249 VanDerWaalsContact C-N 3.33Å; Y247-G249 PolarHBondContact O-N 2.94Å; G249-D252 WeakPolarHBondContact O-CB 3.37Å; G249-D252 PolarHBondContact O-N 3.42Å; G249-D253 PolarHBondContact O-N 2.82Å
250L97Very high96.3Very high5 Ų517.2 Ų17.23%0.0268%0.081CC..Hα-helixtrans-70.4-32.4176-75.7172.7000113.3Q244 V246 Y247 D252 T254 F294 I351 K355Q244-L250 WeakPolarHBondContact O-CD2 3.49Å; Q244-L250 WeakPolarHBondContact O-CG 3.48Å; V246-L250 PolarHBondContact O-N 3.49Å; Y247-L250 PolarHBondContact O-N 3.49Å; L250-D252 VanDerWaalsContact C-N 3.32Å; L250-T254 WeakPolarHBondContact O-CB 3.44Å; L250-T254 PolarHBondContact O-N 2.93Å; L250-T254 PolarHBondContact O-OG1 3.05Å; L250-F294 HydrophobicContact CD1-CB 3.39Å; L250-F294 HydrophobicContact CD1-CD1 3.85Å; L250-F294 HydrophobicContact CD1-CD2 3.47Å; L250-F294 VanDerWaalsContact CD1-CD2 3.47Å; L250-F294 HydrophobicContact CD1-CE2 4.18Å; L250-F294 HydrophobicContact CD1-CG 3.28Å; L250-I351 HydrophobicContact CB-CD1 4.21Å; L250-I351 HydrophobicContact CB-CG2 4.18Å; L250-I351 HydrophobicContact CD1-CG2 4.17Å; L250-K355 HydrophobicContact CD2-CG 4.49Å
251V97.8Very high96.2Very high1 Ų117.8 Ų17.81%0.0069%0.085CC..Hα-helixtrans-62.6-44.2170.5170.40000109.7Y247 E248 T254 F255 I257 V262 F264 L279 I351Y247-V251 HydrophobicContact CD1-CG2 4.18Å; Y247-V251 HydrophobicContact CD2-CG2 4.44Å; Y247-V251 HydrophobicContact CE1-CG2 3.77Å; Y247-V251 HydrophobicContact CE2-CG2 4.06Å; Y247-V251 WeakPolarHBondContact O-CG2 3.2Å; Y247-V251 PolarHBondContact O-N 3.39Å; E248-V251 PolarHBondContact O-N 3.32Å; V251-T254 PolarHBondContact O-N 2.88Å; V251-F255 HydrophobicContact CG1-CD2 4.2Å; V251-F255 WeakPolarHBondContact O-CB 3.29Å; V251-F255 PolarHBondContact O-N 3.32Å; V251-I257 HydrophobicContact CG1-CD1 4.09Å; V251-I257 HydrophobicContact CG1-CG1 4.16Å; V251-V262 HydrophobicContact CG1-CG2 4.3Å; V251-F264 HydrophobicContact CG1-CZ 4.49Å; V251-L279 HydrophobicContact CG1-CD1 3.91Å; V251-I351 HydrophobicContact CG2-CD1 3.97Å
252D97.7Very high96.1Very high0 Ų017.9 Ų17.90%09%0.086CC..Hα-helixtrans-63.7-47.1176.3-171.242.3000112.9E248 G249 L250 T254 R256 I257 F578 N604 R607E248-D252 PolarHBondContact O-N 3.23Å; G249-D252 WeakPolarHBondContact O-CB 3.37Å; G249-D252 PolarHBondContact O-N 3.42Å; L250-D252 VanDerWaalsContact C-N 3.32Å; D252-T254 PolarHBondContact O-N 2.95Å; D252-R256 WeakPolarHBondContact O-CA 3.24Å; D252-R256 PolarHBondContact O-N 2.73Å; D252-I257 HydrophobicContact CB-CB 4.38Å; D252-I257 HydrophobicContact CB-CD1 4Å; D252-I257 HydrophobicContact CB-CG1 4.05Å; D252-I257 WeakPolarHBondContact OD1-CB 3.33Å; D252-I257 PolarHBondContact OD1-N 3.18Å; D252-F578 HydrophobicContact CB-CD2 3.82Å; D252-F578 HydrophobicContact CB-CE2 3.78Å; D252-N604 PolarHBondContact OD2-ND2 2.78Å; D252-R607 VanDerWaalsContact CG-NH1 3.34Å; D252-R607 IonicContact OD1-CZ 2.6Å; D252-R607 IonicContact OD1-NH1 3.05Å; D252-R607 PolarHBondContact OD1-NH1 3.01Å; D252-R607 IonicContact OD1-NH2 2.85Å; D252-R607 PolarHBondContact OD1-NH2 2.83Å; D252-R607 IonicContact OD2-CZ 2.65Å; D252-R607 IonicContact OD2-NH1 3.51Å; D252-R607 PolarHBondContact OD2-NH1 2.96Å; D252-R607 IonicContact OD2-NH2 3.13Å
253D94.8Very high96Very high39 Ų3922.6 Ų22.621%0.20911%0.111CC..Hα-helixtrans-64.9-26.8179.2-72.4-2.9000112.6Q244 G249 N604Q244-D253 PolarHBondContact NE2-OD1 3Å; G249-D253 PolarHBondContact O-N 2.82Å; D253-N604 PolarHBondContact OD1-ND2 3.13Å
254T94.7Very high96.1Very high21 Ų2122.3 Ų22.313%0.12911%0.109CC..Hα-helixtrans-97.2-37.2-175-56.10000113.7L250 V251 D252 I351 K354L250-T254 WeakPolarHBondContact O-CB 3.44Å; L250-T254 PolarHBondContact O-N 2.93Å; L250-T254 PolarHBondContact O-OG1 3.05Å; V251-T254 PolarHBondContact O-N 2.88Å; D252-T254 PolarHBondContact O-N 2.95Å; T254-I351 HydrophobicContact CG2-CG1 4.12Å; T254-K354 HydrophobicContact CG2-CD 3.62Å
255F96.2Very high96Very high24 Ų2422.6 Ų22.611%0.10511%0.113CC..Hα-helixtrans-123.3-6.9-170.9-55.1-73.4000113.7V251 V262 F264 E267 V268 A347 I351V251-F255 HydrophobicContact CG1-CD2 4.2Å; V251-F255 WeakPolarHBondContact O-CB 3.29Å; V251-F255 PolarHBondContact O-N 3.32Å; F255-V262 HydrophobicContact CB-CG2 3.44Å; F255-V262 VanDerWaalsContact CB-CG2 3.44Å; F255-V262 HydrophobicContact CG-CG2 4.38Å; F255-F264 HydrophobicContact CD1-CD1 4.32Å; F255-F264 HydrophobicContact CD2-CD1 4.37Å; F255-F264 AromaticContact CD2-CE1 3.85Å; F255-F264 HydrophobicContact CD2-CE1 3.85Å; F255-F264 HydrophobicContact CE2-CE1 4.08Å; F255-F264 HydrophobicContact CG-CD1 4.25Å; F255-F264 HydrophobicContact CG-CE1 4.11Å; F255-E267 HydrophobicContact CE1-CG 4.26Å; F255-E267 WeakPolarHBondContact CE1-OE1 3.36Å; F255-V268 HydrophobicContact CE1-CG2 3.69Å; F255-V268 HydrophobicContact CZ-CG2 3.6Å; F255-A347 HydrophobicContact CE2-CB 4.09Å; F255-A347 HydrophobicContact CZ-CB 4.46Å; F255-I351 HydrophobicContact CE2-CD1 4.05Å; F255-I351 HydrophobicContact CE2-CG1 3.81Å; F255-I351 HydrophobicContact CZ-CG1 4.41Å
256R95.3Very high96Very high124 Ų12425.3 Ų25.347%0.46813%0.131SC..  trans56.8105.2-174.5-61.2-166.5-175.2-1390.5113.9D252 E610D252-R256 WeakPolarHBondContact O-CA 3.24Å; D252-R256 PolarHBondContact O-N 2.73Å; R256-E610 IonicContact CZ-OE1 2.61Å; R256-E610 IonicContact CZ-OE2 2.87Å; R256-E610 IonicContact NH1-OE1 2.63Å; R256-E610 PolarHBondContact NH1-OE1 3.08Å; R256-E610 IonicContact NH1-OE2 3.02Å; R256-E610 PolarHBondContact NH1-OE2 3.08Å; R256-E610 IonicContact NH2-OE1 2.95Å; R256-E610 PolarHBondContact NH2-OE1 3.08Å; R256-E610 IonicContact NH2-OE2 3.31Å
257I96.9Very high95.8Very high13 Ų1329.8 Ų29.87%0.06715%0.152CC..  trans-75.4131.3169.1-61.4176.3000108.8E248 V251 D252 S261 L279 F578 R607E248-I257 HydrophobicContact CG-CD1 4.1Å; V251-I257 HydrophobicContact CG1-CD1 4.09Å; V251-I257 HydrophobicContact CG1-CG1 4.16Å; D252-I257 HydrophobicContact CB-CB 4.38Å; D252-I257 HydrophobicContact CB-CD1 4Å; D252-I257 HydrophobicContact CB-CG1 4.05Å; D252-I257 WeakPolarHBondContact OD1-CB 3.33Å; D252-I257 PolarHBondContact OD1-N 3.18Å; I257-S261 CarbonylContact C-O 3.55Å; I257-S261 WeakPolarHBondContact CA-O 3.43Å; I257-L279 HydrophobicContact CD1-CD1 3.58Å; I257-L279 HydrophobicContact CG1-CD1 3.87Å; I257-F578 HydrophobicContact CB-CE2 4.28Å; I257-F578 HydrophobicContact CB-CZ 4.45Å; I257-F578 HydrophobicContact CD1-CE2 3.71Å; I257-F578 HydrophobicContact CD1-CZ 3.88Å; I257-F578 HydrophobicContact CG1-CE2 4.49Å; I257-F578 HydrophobicContact CG2-CZ 4.24Å; I257-R607 PolarHBondContact O-NH2 2.9Å
258K94.3Very high95.6Very high93 Ų9330 Ų3040%0.40415%0.153SC..BIsolated β-bridgetrans-130.7122.4174.7-173.5175.4-179.3-178.10109.8S47 G260 S261S47-K258 WeakPolarHBondContact OG-CE 3.43Å; K258-G260 VanDerWaalsContact C-N 3.26Å; K258-G260 PolarHBondContact O-N 3.48Å; K258-S261 PolarHBondContact N-O 3.26Å; K258-S261 PolarHBondContact O-N 2.88Å
259C94.1Very high95.3Very high5 Ų531.2 Ų31.23%0.03416%0.161CC..THydrogen-bonded Turntrans48.346.3-175.9-47.50000112.8S47 P48 R51 L146 L148 E156 S261S47-C259 WeakPolarHBondContact CB-SG 3.39Å; P48-C259 WeakPolarHBondContact CD-SG 3.33Å; R51-C259 HydrophobicContact CG-CB 4.35Å; R51-C259 PolarHBondContact NH1-O 3.05Å; L146-C259 HydrophobicContact CD2-CB 4.44Å; L148-C259 HydrophobicContact CD2-CB 4.33Å; E156-C259 PolarHBondContact OE2-SG 2.95Å; C259-S261 PolarHBondContact O-N 3.19Å
260G94.4Very high94.9Very high10 Ų1036.9 Ų36.910%0.10320%0.201CC..THydrogen-bonded Turntrans65.912.1-178.600000115.1K258 L279K258-G260 VanDerWaalsContact C-N 3.26Å; K258-G260 PolarHBondContact O-N 3.48Å; G260-L279 PolarHBondContact O-N 2.85Å
261S95.2Very high94.4Very high12 Ų1239.3 Ų39.38%0.08422%0.218CC..EExtended strand (participates in β ladder)trans-118.5154.9175-60.30000111.3I257 K258 C259 V277 L278I257-S261 CarbonylContact C-O 3.55Å; I257-S261 WeakPolarHBondContact CA-O 3.43Å; K258-S261 PolarHBondContact N-O 3.26Å; K258-S261 PolarHBondContact O-N 2.88Å; C259-S261 PolarHBondContact O-N 3.19Å; S261-V277 CarbonylContact C-O 3.49Å; S261-V277 WeakPolarHBondContact CA-O 3.4Å; S261-L278 WeakPolarHBondContact OG-CD1 3.37Å
262V96.2Very high93.9Very high2 Ų247.2 Ų47.21%0.01226%0.26CS..EExtended strand (participates in β ladder)trans-130.4142174.166.30000109.7V251 F255 F264 K276 V277 L279V251-V262 HydrophobicContact CG1-CG2 4.3Å; F255-V262 HydrophobicContact CB-CG2 3.44Å; F255-V262 VanDerWaalsContact CB-CG2 3.44Å; F255-V262 HydrophobicContact CG-CG2 4.38Å; V262-F264 HydrophobicContact CG1-CD1 4.31Å; V262-F264 HydrophobicContact CG1-CD2 3.95Å; V262-F264 HydrophobicContact CG1-CE1 3.87Å; V262-F264 HydrophobicContact CG1-CE2 3.47Å; V262-F264 VanDerWaalsContact CG1-CE2 3.47Å; V262-F264 HydrophobicContact CG1-CG 4.35Å; V262-F264 HydrophobicContact CG1-CZ 3.42Å; V262-F264 VanDerWaalsContact CG1-CZ 3.42Å; V262-F264 HydrophobicContact CG2-CD1 4.22Å; V262-F264 HydrophobicContact CG2-CE1 3.97Å; V262-F264 HydrophobicContact CG2-CZ 4.36Å; V262-K276 CarbonylContact O-C 3.51Å; V262-K276 WeakPolarHBondContact O-CA 3.23Å; V262-V277 HydrophobicContact CG1-CB 4.21Å; V262-V277 PolarHBondContact N-O 3.34Å; V262-V277 PolarHBondContact O-N 3.09Å; V262-L279 HydrophobicContact CB-CD1 4Å; V262-L279 HydrophobicContact CG1-CD1 3.68Å; V262-L279 HydrophobicContact CG1-CD2 4.12Å; V262-L279 HydrophobicContact CG1-CG 3.89Å
263D95.3Very high93.5Very high100 Ų10055.1 Ų55.154%0.53530%0.295SS..EExtended strand (participates in β ladder)trans-99.6100.8174-72.4-40.8000109.2K276D263-K276 VanDerWaalsContact OD1-CA 3.29Å; D263-K276 WeakPolarHBondContact OD1-CA 3.04Å; D263-K276 WeakPolarHBondContact OD1-CB 3.46Å; D263-K276 VanDerWaalsContact OD1-CG 3.25Å; D263-K276 WeakPolarHBondContact OD1-CG 3.36Å
264F96.4Very high93.4Very high0 Ų057.3 Ų57.30%031%0.313CS..EExtended strand (participates in β ladder)trans-80.2122.2178.4-74.1-48.4000111.1V251 F255 V262 V268 T269 S274 L275 V277 A347V251-F264 HydrophobicContact CG1-CZ 4.49Å; F255-F264 HydrophobicContact CD1-CD1 4.32Å; F255-F264 HydrophobicContact CD2-CD1 4.37Å; F255-F264 AromaticContact CD2-CE1 3.85Å; F255-F264 HydrophobicContact CD2-CE1 3.85Å; F255-F264 HydrophobicContact CE2-CE1 4.08Å; F255-F264 HydrophobicContact CG-CD1 4.25Å; F255-F264 HydrophobicContact CG-CE1 4.11Å; V262-F264 HydrophobicContact CG1-CD1 4.31Å; V262-F264 HydrophobicContact CG1-CD2 3.95Å; V262-F264 HydrophobicContact CG1-CE1 3.87Å; V262-F264 HydrophobicContact CG1-CE2 3.47Å; V262-F264 VanDerWaalsContact CG1-CE2 3.47Å; V262-F264 HydrophobicContact CG1-CG 4.35Å; V262-F264 HydrophobicContact CG1-CZ 3.42Å; V262-F264 VanDerWaalsContact CG1-CZ 3.42Å; V262-F264 HydrophobicContact CG2-CD1 4.22Å; V262-F264 HydrophobicContact CG2-CE1 3.97Å; V262-F264 HydrophobicContact CG2-CZ 4.36Å; F264-V268 HydrophobicContact CB-CB 3.95Å; F264-V268 HydrophobicContact CB-CG1 3.88Å; F264-V268 HydrophobicContact CD1-CB 4.08Å; F264-V268 HydrophobicContact CD1-CG1 3.86Å; F264-V268 HydrophobicContact CD1-CG2 3.86Å; F264-V268 HydrophobicContact CD2-CG1 4.2Å; F264-V268 HydrophobicContact CE1-CG1 4.45Å; F264-V268 HydrophobicContact CE1-CG2 4.49Å; F264-V268 HydrophobicContact CG-CB 4.15Å; F264-V268 HydrophobicContact CG-CG1 3.73Å; F264-V268 HydrophobicContact CG-CG2 4.44Å; F264-T269 HydrophobicContact CB-CG2 4.1Å; F264-T269 WeakPolarHBondContact O-CG2 3.28Å; F264-S274 CarbonylContact O-C 3.57Å; F264-S274 WeakPolarHBondContact O-CA 3.47Å; F264-S274 WeakPolarHBondContact O-CB 3.23Å; F264-L275 PolarHBondContact N-O 3.07Å; F264-L275 PolarHBondContact O-N 3.22Å; F264-V277 HydrophobicContact CD2-CB 4.2Å; F264-V277 HydrophobicContact CD2-CG2 3.69Å; F264-V277 HydrophobicContact CE2-CB 4.16Å; F264-V277 HydrophobicContact CE2-CG2 4.06Å; F264-A347 HydrophobicContact CE1-CB 3.81Å; F264-A347 HydrophobicContact CZ-CB 3.99Å
265G94.7Very high93.4Very high10 Ų1058.6 Ų58.610%0.10332%0.318CS..  trans-82.5-176.1177.500000114.2E267 V268 T269G265-E267 VanDerWaalsContact CA-OE2 3.31Å; G265-E267 WeakPolarHBondContact CA-OE2 3.38Å; G265-E267 PolarHBondContact O-N 3.27Å; G265-E267 VanDerWaalsContact O-N 3.11Å; G265-V268 PolarHBondContact O-N 2.84Å; G265-T269 PolarHBondContact O-N 3.27Å; G265-T269 PolarHBondContact O-OG1 3.18Å
266P93.6Very high93.3Very high69 Ų6961.7 Ų61.745%0.44833%0.332SS..Hα-helixtrans-54.3-28.6179.2-26.735.8000114.4V268 S270 S271P266-V268 PolarHBondContact O-N 3.46Å; P266-S270 WeakPolarHBondContact O-CA 3.49Å; P266-S270 PolarHBondContact O-N 2.81Å; P266-S271 VanDerWaalsContact CA-O 3.31Å; P266-S271 WeakPolarHBondContact CA-O 3.43Å; P266-S271 VanDerWaalsContact CB-O 3.29Å; P266-S271 WeakPolarHBondContact CB-O 3.47Å; P266-S271 WeakPolarHBondContact CG-O 3.21Å
267E92.9Very high93.2Very high94 Ų9456.3 Ų56.344%0.43931%0.313SS..Hα-helixtrans-65.2-16.2176.873.5-73.1177.100114F255 G265 S350F255-E267 HydrophobicContact CE1-CG 4.26Å; F255-E267 WeakPolarHBondContact CE1-OE1 3.36Å; G265-E267 VanDerWaalsContact CA-OE2 3.31Å; G265-E267 WeakPolarHBondContact CA-OE2 3.38Å; G265-E267 PolarHBondContact O-N 3.27Å; G265-E267 VanDerWaalsContact O-N 3.11Å; E267-S350 WeakPolarHBondContact CG-OG 3.49Å
268V94.7Very high93.2Very high5 Ų558.8 Ų58.83%0.0333%0.326CS..Hα-helixtrans-114-42.2175.1173.50000111.3F255 F264 G265 P266 S270 L343 A347F255-V268 HydrophobicContact CE1-CG2 3.69Å; F255-V268 HydrophobicContact CZ-CG2 3.6Å; F264-V268 HydrophobicContact CB-CB 3.95Å; F264-V268 HydrophobicContact CB-CG1 3.88Å; F264-V268 HydrophobicContact CD1-CB 4.08Å; F264-V268 HydrophobicContact CD1-CG1 3.86Å; F264-V268 HydrophobicContact CD1-CG2 3.86Å; F264-V268 HydrophobicContact CD2-CG1 4.2Å; F264-V268 HydrophobicContact CE1-CG1 4.45Å; F264-V268 HydrophobicContact CE1-CG2 4.49Å; F264-V268 HydrophobicContact CG-CB 4.15Å; F264-V268 HydrophobicContact CG-CG1 3.73Å; F264-V268 HydrophobicContact CG-CG2 4.44Å; G265-V268 PolarHBondContact O-N 2.84Å; P266-V268 PolarHBondContact O-N 3.46Å; V268-S270 VanDerWaalsContact C-N 3.31Å; V268-S270 PolarHBondContact O-N 3.41Å; V268-L343 HydrophobicContact CG1-CD2 4.35Å; V268-L343 VanDerWaalsContact CG1-O 3.31Å; V268-L343 WeakPolarHBondContact CG1-O 3.27Å; V268-A347 HydrophobicContact CG1-CB 4.19Å; V268-A347 HydrophobicContact CG2-CB 4.25Å
269T92.3Very high93.2Very high28 Ų2854.5 Ų54.517%0.17231%0.307CS..Hα-helixtrans-78.1-16.1-174.567.80000113.2F264 G265 S271 K273 L275 L343F264-T269 HydrophobicContact CB-CG2 4.1Å; F264-T269 WeakPolarHBondContact O-CG2 3.28Å; G265-T269 PolarHBondContact O-N 3.27Å; G265-T269 PolarHBondContact O-OG1 3.18Å; T269-S271 PolarHBondContact O-N 2.82Å; T269-S271 PolarHBondContact OG1-N 3.46Å; T269-S271 PolarHBondContact OG1-O 2.9Å; T269-S271 VanDerWaalsContact OG1-O 3.13Å; T269-S271 PolarHBondContact OG1-OG 3.09Å; T269-K273 PolarHBondContact OG1-O 3.44Å; T269-L275 HydrophobicContact CG2-CB 3.91Å; T269-L343 HydrophobicContact CG2-CD2 4.16Å
270S87.6Confident93.1Very high120 Ų12055 Ų5584%0.83931%0.31SS*.SBendtrans52.929.7-169.8-58.40000112.7P266 V268P266-S270 WeakPolarHBondContact O-CA 3.49Å; P266-S270 PolarHBondContact O-N 2.81Å; V268-S270 VanDerWaalsContact C-N 3.31Å; V268-S270 PolarHBondContact O-N 3.41Å
271S88.1Confident93Very high55 Ų5555.9 Ų55.939%0.38532%0.316SS..SBendtrans-142.5156.5179.877.80000110.4P266 T269 K273P266-S271 VanDerWaalsContact CA-O 3.31Å; P266-S271 WeakPolarHBondContact CA-O 3.43Å; P266-S271 VanDerWaalsContact CB-O 3.29Å; P266-S271 WeakPolarHBondContact CB-O 3.47Å; P266-S271 WeakPolarHBondContact CG-O 3.21Å; T269-S271 PolarHBondContact O-N 2.82Å; T269-S271 PolarHBondContact OG1-N 3.46Å; T269-S271 PolarHBondContact OG1-O 2.9Å; T269-S271 VanDerWaalsContact OG1-O 3.13Å; T269-S271 PolarHBondContact OG1-OG 3.09Å; S271-K273 PolarHBondContact O-N 3.35Å; S271-K273 PolarHBondContact OG-O 3.09Å
272D87.1Confident92.9Very high168 Ų16862.6 Ų62.690%0.89835%0.346SS*.SBendtrans-66.8-5.1179.7-60.6-32.6000114.1
273K89.6Confident92.8Very high166 Ų16662.8 Ų62.872%0.72235%0.347SS*.SBendtrans-105.5134.4-179-64.1-176.1-178.7-179.50110.6T269 S271T269-K273 PolarHBondContact OG1-O 3.44Å; S271-K273 PolarHBondContact O-N 3.35Å; S271-K273 PolarHBondContact OG-O 3.09Å
274S92.3Very high92.6Very high84 Ų8464.6 Ų64.659%0.58735%0.35SS*.  trans-71.4151.816559.80000110.6F264F264-S274 CarbonylContact O-C 3.57Å; F264-S274 WeakPolarHBondContact O-CA 3.47Å; F264-S274 WeakPolarHBondContact O-CB 3.23Å
275L93.8Very high92.5Very high48 Ų4864.6 Ų64.625%0.25135%0.35SS..EExtended strand (participates in β ladder)trans-129.8118.4177.4179.266.5000110.2F264 T269 V277 L343F264-L275 PolarHBondContact N-O 3.07Å; F264-L275 PolarHBondContact O-N 3.22Å; T269-L275 HydrophobicContact CG2-CB 3.91Å; L275-V277 HydrophobicContact CD2-CG2 4.1Å; L275-V277 HydrophobicContact CG-CG2 4.05Å; L275-L343 HydrophobicContact CD2-CD1 3.58Å; L275-L343 HydrophobicContact CD2-CD2 4.05Å; L275-L343 HydrophobicContact CD2-CG 4.47Å
276K94.1Very high92.6Very high89 Ų8964.1 Ų64.139%0.38735%0.345SS..EExtended strand (participates in β ladder)trans-71.8125.2168.9-167.6173.7178.2-170.90110D50 V262 D263D50-K276 IonicContact OD2-NZ 3.81Å; D50-K276 PolarHBondContact OD2-NZ 3.5Å; V262-K276 CarbonylContact O-C 3.51Å; V262-K276 WeakPolarHBondContact O-CA 3.23Å; D263-K276 VanDerWaalsContact OD1-CA 3.29Å; D263-K276 WeakPolarHBondContact OD1-CA 3.04Å; D263-K276 WeakPolarHBondContact OD1-CB 3.46Å; D263-K276 VanDerWaalsContact OD1-CG 3.25Å; D263-K276 WeakPolarHBondContact OD1-CG 3.36Å
277V94.7Very high92.7Very high12 Ų1263.8 Ų63.87%0.07334%0.339CS..EExtended strand (participates in β ladder)trans-123.2132.4178-177.70000109.1S261 V262 F264 L275 L279 L340 L343S261-V277 CarbonylContact C-O 3.49Å; S261-V277 WeakPolarHBondContact CA-O 3.4Å; V262-V277 HydrophobicContact CG1-CB 4.21Å; V262-V277 PolarHBondContact N-O 3.34Å; V262-V277 PolarHBondContact O-N 3.09Å; F264-V277 HydrophobicContact CD2-CB 4.2Å; F264-V277 HydrophobicContact CD2-CG2 3.69Å; F264-V277 HydrophobicContact CE2-CB 4.16Å; F264-V277 HydrophobicContact CE2-CG2 4.06Å; L275-V277 HydrophobicContact CD2-CG2 4.1Å; L275-V277 HydrophobicContact CG-CG2 4.05Å; V277-L279 HydrophobicContact CG1-CD2 4.18Å; V277-L340 HydrophobicContact CG1-CD2 4.25Å; V277-L343 HydrophobicContact CG2-CD1 3.93Å
278L94.8Very high92.8Very high64 Ų6462.3 Ų62.334%0.33533%0.333SS..EExtended strand (participates in β ladder)trans-83.4123.2171.4-173.367000108.7S261 N280S261-L278 WeakPolarHBondContact OG-CD1 3.37Å; L278-N280 VanDerWaalsContact CD2-ND2 3.33Å; L278-N280 WeakPolarHBondContact CD2-ND2 3.48Å
279L94.9Very high92.8Very high3 Ų362.1 Ų62.12%0.01633%0.332CS..  trans-101.398.5-179.4-61.9179.3000108.8V251 I257 G260 V262 V277 F286V251-L279 HydrophobicContact CG1-CD1 3.91Å; I257-L279 HydrophobicContact CD1-CD1 3.58Å; I257-L279 HydrophobicContact CG1-CD1 3.87Å; G260-L279 PolarHBondContact O-N 2.85Å; V262-L279 HydrophobicContact CB-CD1 4Å; V262-L279 HydrophobicContact CG1-CD1 3.68Å; V262-L279 HydrophobicContact CG1-CD2 4.12Å; V262-L279 HydrophobicContact CG1-CG 3.89Å; V277-L279 HydrophobicContact CG1-CD2 4.18Å; L279-F286 HydrophobicContact CB-CD1 4.23Å; L279-F286 HydrophobicContact CB-CE1 3.73Å; L279-F286 HydrophobicContact CB-CE2 4.26Å; L279-F286 HydrophobicContact CB-CZ 3.74Å; L279-F286 HydrophobicContact CD1-CE2 4.34Å; L279-F286 HydrophobicContact CD1-CZ 4.34Å; L279-F286 HydrophobicContact CD2-CD2 4.05Å; L279-F286 HydrophobicContact CD2-CE2 4.09Å; L279-F286 HydrophobicContact CD2-CG 4.35Å; L279-F286 HydrophobicContact CD2-CZ 4.43Å; L279-F286 HydrophobicContact CG-CE2 4.47Å; L279-F286 HydrophobicContact CG-CZ 4.4Å
280N93.1Very high93.1Very high16 Ų1661 Ų619%0.08632%0.324CS..SBendtrans-150.3179.918068.810.2000111.1D149 L278 E282 D283D149-N280 WeakPolarHBondContact OD2-CA 3.49Å; L278-N280 VanDerWaalsContact CD2-ND2 3.33Å; L278-N280 WeakPolarHBondContact CD2-ND2 3.48Å; N280-E282 PolarHBondContact ND2-OE2 3.02Å; N280-E282 VanDerWaalsContact ND2-OE2 3.11Å; N280-E282 PolarHBondContact O-N 2.87Å; N280-E282 VanDerWaalsContact O-N 3.16Å; N280-E282 VanDerWaalsContact OD1-CB 3.26Å; N280-E282 WeakPolarHBondContact OD1-CB 3.29Å; N280-E282 PolarHBondContact OD1-N 3.18Å; N280-D283 PolarHBondContact O-N 3.27Å
281A92.6Very high93.5Very high28 Ų2856.1 Ų56.123%0.23129%0.289CS..THydrogen-bonded Turntrans-64.5-13.4179.200000115.5D149 V150 D283D149-A281 PolarHBondContact OD1-N 2.84Å; V150-A281 HydrophobicContact CG1-CB 4.01Å; V150-A281 HydrophobicContact CG2-CB 4.08Å; A281-D283 VanDerWaalsContact C-N 3.31Å
282E91.6Very high93.9Very high154 Ų15455.3 Ų55.372%0.7228%0.279SS*.THydrogen-bonded Turntrans-72.7-27.6177.5-56.2175.5147.200111.8N280 K284N280-E282 PolarHBondContact ND2-OE2 3.02Å; N280-E282 VanDerWaalsContact ND2-OE2 3.11Å; N280-E282 PolarHBondContact O-N 2.87Å; N280-E282 VanDerWaalsContact O-N 3.16Å; N280-E282 VanDerWaalsContact OD1-CB 3.26Å; N280-E282 WeakPolarHBondContact OD1-CB 3.29Å; N280-E282 PolarHBondContact OD1-N 3.18Å; E282-K284 PolarHBondContact O-N 3.37Å
283D94Very high94.3Very high5 Ų548 Ų483%0.02724%0.239CC..SBendtrans-77.1100.9166.7-175.6-21.4000109.8N280 A281 V285 F286 N287 L340 H344N280-D283 PolarHBondContact O-N 3.27Å; A281-D283 VanDerWaalsContact C-N 3.31Å; D283-V285 PolarHBondContact O-N 3.38Å; D283-V285 WeakPolarHBondContact OD1-CA 3.37Å; D283-V285 WeakPolarHBondContact OD1-CB 3.43Å; D283-V285 PolarHBondContact OD1-N 3.32Å; D283-F286 HydrophobicContact CB-CB 3.76Å; D283-F286 PolarHBondContact O-N 2.94Å; D283-F286 PolarHBondContact OD1-N 3.09Å; D283-N287 WeakPolarHBondContact O-CB 3.27Å; D283-N287 PolarHBondContact O-N 3.21Å; D283-L340 HydrophobicContact CB-CD1 3.98Å; D283-L340 WeakPolarHBondContact OD2-CB 3.17Å; D283-L340 VanDerWaalsContact OD2-CD1 3.27Å; D283-L340 WeakPolarHBondContact OD2-CD1 3.36Å; D283-H344 IonicContact OD2-CD2 2.94Å; D283-H344 IonicContact OD2-NE2 2.8Å; D283-H344 PolarHBondContact OD2-NE2 2.93Å; D283-H344 VanDerWaalsContact OD2-NE2 3.08Å
284K92.1Very high94.6Very high138 Ų13841.6 Ų41.660%0.621%0.211SC*.Hα-helixtrans-60.5-28.1179.8-62.1-176.8-178179.40113.8E282 E288 K304E282-K284 PolarHBondContact O-N 3.37Å; K284-E288 WeakPolarHBondContact O-CG 3.36Å; K284-K304 PolarHBondContact O-NZ 2.94Å
285V94.3Very high94.6Very high0 Ų041 Ų410%021%0.207CC..Hα-helixtrans-74.4-50.8177.1-1800000108.6D283 N287 E288 I289 L301 K304 E337 L341 H344D283-V285 PolarHBondContact O-N 3.38Å; D283-V285 WeakPolarHBondContact OD1-CA 3.37Å; D283-V285 WeakPolarHBondContact OD1-CB 3.43Å; D283-V285 PolarHBondContact OD1-N 3.32Å; V285-N287 VanDerWaalsContact C-N 3.35Å; V285-N287 PolarHBondContact O-N 2.89Å; V285-E288 PolarHBondContact O-N 3.17Å; V285-I289 HydrophobicContact CG1-CD1 4.29Å; V285-I289 WeakPolarHBondContact O-CG1 3.47Å; V285-I289 PolarHBondContact O-N 2.91Å; V285-L301 HydrophobicContact CG1-CD2 3.72Å; V285-K304 HydrophobicContact CG2-CD 4.29Å; V285-E337 HydrophobicContact CG2-CG 3.84Å; V285-L341 HydrophobicContact CG1-CD1 3.88Å; V285-L341 HydrophobicContact CG2-CB 4.09Å; V285-L341 HydrophobicContact CG2-CD1 4.46Å; V285-H344 HydrophobicContact CG1-CB 4.35Å
286F96.6Very high94.5Very high0 Ų040.2 Ų40.20%020%0.204CC..Hα-helixtrans-58.3-45.9178.1-176.7-114.6000112.3Y247 E248 L279 D283 E288 I289 R290 H344Y247-F286 HydrophobicContact CD1-CD2 4.26Å; Y247-F286 HydrophobicContact CD1-CE2 4.14Å; Y247-F286 HydrophobicContact CE1-CD2 4.01Å; Y247-F286 HydrophobicContact CE1-CE2 4.14Å; E248-F286 HydrophobicContact CB-CE2 4.34Å; E248-F286 HydrophobicContact CB-CZ 4.14Å; E248-F286 HydrophobicContact CG-CE2 4.32Å; E248-F286 HydrophobicContact CG-CZ 3.74Å; E248-F286 WeakPolarHBondContact OE1-CZ 3.47Å; L279-F286 HydrophobicContact CB-CD1 4.23Å; L279-F286 HydrophobicContact CB-CE1 3.73Å; L279-F286 HydrophobicContact CB-CE2 4.26Å; L279-F286 HydrophobicContact CB-CZ 3.74Å; L279-F286 HydrophobicContact CD1-CE2 4.34Å; L279-F286 HydrophobicContact CD1-CZ 4.34Å; L279-F286 HydrophobicContact CD2-CD2 4.05Å; L279-F286 HydrophobicContact CD2-CE2 4.09Å; L279-F286 HydrophobicContact CD2-CG 4.35Å; L279-F286 HydrophobicContact CD2-CZ 4.43Å; L279-F286 HydrophobicContact CG-CE2 4.47Å; L279-F286 HydrophobicContact CG-CZ 4.4Å; D283-F286 HydrophobicContact CB-CB 3.76Å; D283-F286 PolarHBondContact O-N 2.94Å; D283-F286 PolarHBondContact OD1-N 3.09Å; F286-E288 PolarHBondContact O-N 2.89Å; F286-E288 VanDerWaalsContact O-N 3.16Å; F286-I289 PolarHBondContact O-N 3.46Å; F286-R290 HydrophobicContact CD1-CB 4.29Å; F286-R290 HydrophobicContact CD2-CB 4.11Å; F286-R290 HydrophobicContact CE1-CB 3.94Å; F286-R290 HydrophobicContact CE2-CB 3.73Å; F286-R290 HydrophobicContact CG-CB 4.38Å; F286-R290 HydrophobicContact CZ-CB 3.65Å; F286-R290 VanDerWaalsContact O-CB 3.27Å; F286-R290 WeakPolarHBondContact O-CB 3.47Å; F286-R290 PolarHBondContact O-N 2.89Å; F286-H344 AromaticContact CD2-CE1 3.66Å
287N95.4Very high94.6Very high62 Ų6236 Ų3633%0.33219%0.185SC..Hα-helixtrans-57-33.6-178.6-169.153.4000113.1D283 V285D283-N287 WeakPolarHBondContact O-CB 3.27Å; D283-N287 PolarHBondContact O-N 3.21Å; V285-N287 VanDerWaalsContact C-N 3.35Å; V285-N287 PolarHBondContact O-N 2.89Å
288E94.3Very high94.4Very high64 Ų6439.5 Ų39.530%0.29920%0.2SC..Hα-helixtrans-79.9-23.7179.6-72.7170.5-172.700113.9A2 K284 V285 F286 F300 K304A2-E288 HydrophobicContact CB-CB 4.3Å; A2-E288 HydrophobicContact CB-CG 4.13Å; K284-E288 WeakPolarHBondContact O-CG 3.36Å; V285-E288 PolarHBondContact O-N 3.17Å; F286-E288 PolarHBondContact O-N 2.89Å; F286-E288 VanDerWaalsContact O-N 3.16Å; E288-F300 HydrophobicContact CB-CE1 3.8Å; E288-F300 HydrophobicContact CB-CZ 3.79Å; E288-F300 HydrophobicContact CG-CZ 4.27Å; E288-F300 WeakPolarHBondContact OE2-CE1 3.3Å; E288-F300 WeakPolarHBondContact OE2-CZ 3.44Å; E288-K304 IonicContact OE1-NZ 3.35Å; E288-K304 PolarHBondContact OE1-NZ 3.42Å; E288-K304 VanDerWaalsContact OE1-NZ 3.1Å; E288-K304 WeakPolarHBondContact OE2-CD 3.21Å; E288-K304 WeakPolarHBondContact OE2-CE 3.11Å; E288-K304 IonicContact OE2-NZ 3.83Å; E288-K304 PolarHBondContact OE2-NZ 3.45Å
289I96.4Very high94.1Very high1 Ų138.8 Ų38.81%0.00521%0.207CC..Hα-helixtrans-112.1-21.2-172.367.6-176000113.9Y247 V285 F286 N291 E292 V297 F300 L301 H344Y247-I289 VanDerWaalsContact CB-O 3.22Å; Y247-I289 WeakPolarHBondContact CB-O 3.3Å; Y247-I289 HydrophobicContact CD1-CD1 3.74Å; Y247-I289 HydrophobicContact CD1-CG1 3.62Å; Y247-I289 HydrophobicContact CE1-CD1 3.46Å; Y247-I289 VanDerWaalsContact CE1-CD1 3.46Å; Y247-I289 HydrophobicContact CE1-CG1 3.86Å; Y247-I289 HydrophobicContact CE2-CD1 4.36Å; Y247-I289 HydrophobicContact CG-CD1 4.29Å; Y247-I289 HydrophobicContact CG-CG1 4.17Å; V285-I289 HydrophobicContact CG1-CD1 4.29Å; V285-I289 WeakPolarHBondContact O-CG1 3.47Å; V285-I289 PolarHBondContact O-N 2.91Å; F286-I289 PolarHBondContact O-N 3.46Å; I289-N291 VanDerWaalsContact C-N 3.29Å; I289-N291 PolarHBondContact O-N 2.78Å; I289-E292 WeakPolarHBondContact O-CB 3.33Å; I289-E292 PolarHBondContact O-N 3.24Å; I289-V297 HydrophobicContact CB-CG1 4.19Å; I289-V297 HydrophobicContact CD1-CG1 4.28Å; I289-V297 HydrophobicContact CG2-CG1 4.4Å; I289-F300 HydrophobicContact CG2-CD1 3.4Å; I289-F300 HydrophobicContact CG2-CE1 3.75Å; I289-F300 HydrophobicContact CG2-CG 4.28Å; I289-L301 HydrophobicContact CD1-CD2 3.86Å; I289-L301 HydrophobicContact CG2-CD2 4.18Å; I289-H344 HydrophobicContact CD1-CB 4.14Å
290R97Very high94Very high3 Ų340.7 Ų40.71%0.01122%0.216CC..THydrogen-bonded Turntrans-56.2-38.8-169.265.5-174.4-65.4-173.89.7114.6D149 E248 F286 R585D149-R290 IonicContact OD1-NH1 2.63Å; D149-R290 IonicContact OD2-CZ 3.65Å; D149-R290 IonicContact OD2-NH1 3.91Å; D149-R290 PolarHBondContact OD2-NH1 2.61Å; D149-R290 IonicContact OD2-NH2 3.43Å; D149-R290 PolarHBondContact OD2-NH2 3.33Å; E248-R290 HydrophobicContact CB-CB 4.02Å; E248-R290 WeakPolarHBondContact CB-O 3.15Å; E248-R290 VanDerWaalsContact CD-NH2 3.34Å; E248-R290 PolarHBondContact N-O 3.08Å; E248-R290 IonicContact OE1-CZ 3.97Å; E248-R290 IonicContact OE1-NE 3.44Å; E248-R290 IonicContact OE1-NH2 3.24Å; E248-R290 PolarHBondContact OE1-NH2 3.27Å; E248-R290 IonicContact OE2-CZ 3.87Å; E248-R290 VanDerWaalsContact OE2-CZ 3.31Å; E248-R290 IonicContact OE2-NE 3.9Å; E248-R290 PolarHBondContact OE2-NE 2.85Å; E248-R290 IonicContact OE2-NH2 3.11Å; E248-R290 PolarHBondContact OE2-NH2 2.76Å; E248-R290 VanDerWaalsContact OE2-NH2 3.08Å; F286-R290 HydrophobicContact CD1-CB 4.29Å; F286-R290 HydrophobicContact CD2-CB 4.11Å; F286-R290 HydrophobicContact CE1-CB 3.94Å; F286-R290 HydrophobicContact CE2-CB 3.73Å; F286-R290 HydrophobicContact CG-CB 4.38Å; F286-R290 HydrophobicContact CZ-CB 3.65Å; F286-R290 VanDerWaalsContact O-CB 3.27Å; F286-R290 WeakPolarHBondContact O-CB 3.47Å; F286-R290 PolarHBondContact O-N 2.89Å; R290-R585 VanDerWaalsContact CZ-NH1 3.26Å; R290-R585 VanDerWaalsContact NE-NH1 3.19Å
291N97Very high94.1Very high19 Ų1940 Ų4010%0.10221%0.212CC..THydrogen-bonded Turntrans-94.90.1-178.4-52.4-62000112.3I289 Y511 S582 R585I289-N291 VanDerWaalsContact C-N 3.29Å; I289-N291 PolarHBondContact O-N 2.78Å; N291-Y511 WeakPolarHBondContact O-CE2 3.43Å; N291-Y511 PolarHBondContact O-OH 2.97Å; N291-S582 PolarHBondContact OD1-OG 3.06Å; N291-R585 VanDerWaalsContact OD1-CD 3.3Å; N291-R585 WeakPolarHBondContact OD1-CD 3.18Å; N291-R585 PolarHBondContact OD1-NH1 2.73Å
292E96.5Very high94Very high37 Ų3740.4 Ų40.417%0.17321%0.213CC..SBendtrans-81.5146.1-177.9-67.3-65138.900110.6V246 Y247 I289 F294 V297V246-E292 WeakPolarHBondContact CA-O 3.32Å; Y247-E292 PolarHBondContact N-O 3.14Å; I289-E292 WeakPolarHBondContact O-CB 3.33Å; I289-E292 PolarHBondContact O-N 3.24Å; E292-F294 PolarHBondContact O-N 3.33Å; E292-V297 HydrophobicContact CB-CG2 4.16Å
293H96.2Very high94.1Very high15 Ų1536.9 Ų36.97%0.06920%0.197CC..BIsolated β-bridgetrans-61.1134.8168.8-171.5-92.1000110V245 S295 N296 Y511 S514V245-H293 WeakPolarHBondContact CG2-NE2 3.3Å; H293-S295 WeakPolarHBondContact ND1-CB 3.33Å; H293-S295 PolarHBondContact ND1-N 3.24Å; H293-S295 PolarHBondContact ND1-OG 3.35Å; H293-S295 PolarHBondContact O-N 3.38Å; H293-S295 VanDerWaalsContact O-N 3.09Å; H293-N296 PolarHBondContact O-N 2.82Å; H293-Y511 HydrophobicContact CB-CD2 4.28Å; H293-Y511 PolarHBondContact CD2-O 3.13Å; H293-Y511 VanDerWaalsContact CD2-O 3.25Å; H293-S514 PolarHBondContact NE2-OG 3.32Å
294F95Very high94Very high31 Ų3137.6 Ų37.614%0.13620%0.2CC..Hα-helixtrans-57-33.6-170-172.2-109.3000114.3V245 Y247 L250 E292 N296 V297 I351 M352V245-F294 VanDerWaalsContact O-CB 3.29Å; V245-F294 WeakPolarHBondContact O-CB 3.44Å; V245-F294 PolarHBondContact O-N 3.43Å; Y247-F294 HydrophobicContact CD2-CD2 4.12Å; Y247-F294 HydrophobicContact CD2-CE2 4.17Å; L250-F294 HydrophobicContact CD1-CB 3.39Å; L250-F294 HydrophobicContact CD1-CD1 3.85Å; L250-F294 HydrophobicContact CD1-CD2 3.47Å; L250-F294 VanDerWaalsContact CD1-CD2 3.47Å; L250-F294 HydrophobicContact CD1-CE2 4.18Å; L250-F294 HydrophobicContact CD1-CG 3.28Å; E292-F294 PolarHBondContact O-N 3.33Å; F294-N296 PolarHBondContact O-N 2.93Å; F294-V297 PolarHBondContact O-N 2.76Å; F294-V297 VanDerWaalsContact O-N 3.09Å; F294-I351 HydrophobicContact CD2-CG2 4.47Å; F294-I351 HydrophobicContact CE1-CG2 3.88Å; F294-I351 HydrophobicContact CE2-CB 4.12Å; F294-I351 HydrophobicContact CE2-CD1 4.17Å; F294-I351 HydrophobicContact CE2-CG2 3.71Å; F294-I351 HydrophobicContact CZ-CB 3.78Å; F294-I351 HydrophobicContact CZ-CG2 3.37Å; F294-M352 HydrophobicContact CE1-CG 3.68Å; F294-M352 HydrophobicContact CZ-CG 3.79Å
295S92.5Very high94Very high71 Ų7132.6 Ų32.650%0.49718%0.184SC..Hα-helixtrans-55.4-25.7176.965.20000113.8H293H293-S295 WeakPolarHBondContact ND1-CB 3.33Å; H293-S295 PolarHBondContact ND1-N 3.24Å; H293-S295 PolarHBondContact ND1-OG 3.35Å; H293-S295 PolarHBondContact O-N 3.38Å; H293-S295 VanDerWaalsContact O-N 3.09Å
296N92.4Very high93.9Very high33 Ų3340 Ų4018%0.17621%0.212CC..Hα-helixtrans-96-17-176.4-58.1-25000112.8H293 F294 F300 L503H293-N296 PolarHBondContact O-N 2.82Å; F294-N296 PolarHBondContact O-N 2.93Å; N296-F300 PolarHBondContact O-N 3.08Å; N296-L503 PolarHBondContact ND2-O 2.76Å
297V94.3Very high93.6Very high1 Ų143.8 Ų43.81%0.00623%0.232CC..Hα-helixtrans-67.1-48.1-170176.30000111.4Y247 I289 E292 F294 G299 F300 L301Y247-V297 HydrophobicContact CD2-CB 4.44Å; Y247-V297 HydrophobicContact CD2-CG1 3.74Å; Y247-V297 HydrophobicContact CD2-CG2 4.19Å; Y247-V297 HydrophobicContact CE2-CG1 4.07Å; Y247-V297 HydrophobicContact CG-CG1 4.33Å; Y247-V297 HydrophobicContact CG-CG2 4.34Å; I289-V297 HydrophobicContact CB-CG1 4.19Å; I289-V297 HydrophobicContact CD1-CG1 4.28Å; I289-V297 HydrophobicContact CG2-CG1 4.4Å; E292-V297 HydrophobicContact CB-CG2 4.16Å; F294-V297 PolarHBondContact O-N 2.76Å; F294-V297 VanDerWaalsContact O-N 3.09Å; V297-G299 VanDerWaalsContact C-N 3.34Å; V297-G299 PolarHBondContact O-N 2.92Å; V297-F300 WeakPolarHBondContact O-CB 3.48Å; V297-F300 PolarHBondContact O-N 2.87Å; V297-F300 VanDerWaalsContact O-N 3.09Å; V297-L301 HydrophobicContact CG1-CD1 3.75Å; V297-L301 HydrophobicContact CG1-CG 4.03Å; V297-L301 WeakPolarHBondContact O-CG 3.33Å; V297-L301 PolarHBondContact O-N 2.67Å
298F90.8Very high93.3Very high85 Ų8541.1 Ų41.137%0.37322%0.218SC..Hα-helixtrans-60.8-43.3-176.2-175-94.3000112.4F300 L301 S302 M352F298-F300 VanDerWaalsContact C-N 3.3Å; F298-F300 PolarHBondContact O-N 3.44Å; F298-L301 PolarHBondContact O-N 3.28Å; F298-S302 WeakPolarHBondContact CE1-OG 3.29Å; F298-S302 WeakPolarHBondContact O-CB 3.45Å; F298-S302 PolarHBondContact O-N 2.66Å; F298-S302 PolarHBondContact O-OG 3.02Å; F298-M352 HydrophobicContact CD2-SD 4.31Å
299G90.1Very high93Very high48 Ų4842 Ų4250%0.49522%0.222SC..Hα-helixtrans-61.8-39.2176.100000112.2V297 Q303V297-G299 VanDerWaalsContact C-N 3.34Å; V297-G299 PolarHBondContact O-N 2.92Å; G299-Q303 PolarHBondContact O-N 3.11Å; G299-Q303 VanDerWaalsContact O-N 3.11Å
300F92.5Very high92.6Very high44 Ų4444.4 Ų44.419%0.19324%0.242CC..Hα-helixtrans-64.1-51.5175-174.2-91.2000112.3A2 E288 I289 N296 V297 F298 S302 Q303 K304A2-F300 HydrophobicContact CB-CE2 4.22Å; A2-F300 HydrophobicContact CB-CZ 4.31Å; E288-F300 HydrophobicContact CB-CE1 3.8Å; E288-F300 HydrophobicContact CB-CZ 3.79Å; E288-F300 HydrophobicContact CG-CZ 4.27Å; E288-F300 WeakPolarHBondContact OE2-CE1 3.3Å; E288-F300 WeakPolarHBondContact OE2-CZ 3.44Å; I289-F300 HydrophobicContact CG2-CD1 3.4Å; I289-F300 HydrophobicContact CG2-CE1 3.75Å; I289-F300 HydrophobicContact CG2-CG 4.28Å; N296-F300 PolarHBondContact O-N 3.08Å; V297-F300 WeakPolarHBondContact O-CB 3.48Å; V297-F300 PolarHBondContact O-N 2.87Å; V297-F300 VanDerWaalsContact O-N 3.09Å; F298-F300 VanDerWaalsContact C-N 3.3Å; F298-F300 PolarHBondContact O-N 3.44Å; F300-S302 VanDerWaalsContact C-N 3.31Å; F300-S302 PolarHBondContact O-N 3.46Å; F300-Q303 PolarHBondContact O-N 3.4Å; F300-Q303 VanDerWaalsContact O-N 3.15Å; F300-K304 HydrophobicContact CE1-CD 4.01Å; F300-K304 PolarHBondContact O-N 3.26Å
301L94.2Very high92Very high0 Ų047.9 Ų47.90%026%0.258CS..Hα-helixtrans-58.6-42.6178.4-66.5177.1000111.7V285 I289 V297 F298 Q303 K304 A305 L341 H344 I345 C348V285-L301 HydrophobicContact CG1-CD2 3.72Å; I289-L301 HydrophobicContact CD1-CD2 3.86Å; I289-L301 HydrophobicContact CG2-CD2 4.18Å; V297-L301 HydrophobicContact CG1-CD1 3.75Å; V297-L301 HydrophobicContact CG1-CG 4.03Å; V297-L301 WeakPolarHBondContact O-CG 3.33Å; V297-L301 PolarHBondContact O-N 2.67Å; F298-L301 PolarHBondContact O-N 3.28Å; L301-Q303 VanDerWaalsContact C-N 3.34Å; L301-Q303 PolarHBondContact O-N 3.18Å; L301-K304 PolarHBondContact O-N 2.97Å; L301-A305 WeakPolarHBondContact O-CB 3.41Å; L301-A305 PolarHBondContact O-N 2.94Å; L301-L341 HydrophobicContact CB-CD1 4.35Å; L301-L341 HydrophobicContact CD2-CD1 3.68Å; L301-H344 HydrophobicContact CD1-CB 4.33Å; L301-H344 HydrophobicContact CD2-CB 4.23Å; L301-I345 HydrophobicContact CB-CG1 4.02Å; L301-I345 HydrophobicContact CD1-CG1 4.2Å; L301-C348 HydrophobicContact CD1-CB 4.17Å
302S90.9Very high91.4Very high38 Ų3848 Ų4827%0.26626%0.258SS..Hα-helixtrans-62-39.1177-630000112.7F298 F300 R306F298-S302 WeakPolarHBondContact CE1-OG 3.29Å; F298-S302 WeakPolarHBondContact O-CB 3.45Å; F298-S302 PolarHBondContact O-N 2.66Å; F298-S302 PolarHBondContact O-OG 3.02Å; F300-S302 VanDerWaalsContact C-N 3.31Å; F300-S302 PolarHBondContact O-N 3.46Å; S302-R306 PolarHBondContact O-N 3.5Å; S302-R306 PolarHBondContact O-NE 3.19Å
303Q92.9Very high90.9Very high80 Ų8048.8 Ų48.837%0.37426%0.263SS..Hα-helixtrans-70-43.2174.3-176.663.35300111.4G299 F300 L301 A305 R306 N307G299-Q303 PolarHBondContact O-N 3.11Å; G299-Q303 VanDerWaalsContact O-N 3.11Å; F300-Q303 PolarHBondContact O-N 3.4Å; F300-Q303 VanDerWaalsContact O-N 3.15Å; L301-Q303 VanDerWaalsContact C-N 3.34Å; L301-Q303 PolarHBondContact O-N 3.18Å; Q303-A305 VanDerWaalsContact C-N 3.31Å; Q303-A305 PolarHBondContact O-N 3.23Å; Q303-R306 PolarHBondContact O-N 2.89Å; Q303-N307 PolarHBondContact NE2-OD1 3.48Å; Q303-N307 VanDerWaalsContact O-CG 3.31Å; Q303-N307 PolarHBondContact O-N 2.87Å; Q303-N307 PolarHBondContact O-OD1 2.83Å
304K93.1Very high90.3Very high20 Ų2056.2 Ų56.29%0.08729%0.291CS..Hα-helixtrans-62.7-38.3178.7-167.3160.7-175.4167.30111.6K284 V285 E288 F300 L301 N307 L308 E337 L341K284-K304 PolarHBondContact O-NZ 2.94Å; V285-K304 HydrophobicContact CG2-CD 4.29Å; E288-K304 IonicContact OE1-NZ 3.35Å; E288-K304 PolarHBondContact OE1-NZ 3.42Å; E288-K304 VanDerWaalsContact OE1-NZ 3.1Å; E288-K304 WeakPolarHBondContact OE2-CD 3.21Å; E288-K304 WeakPolarHBondContact OE2-CE 3.11Å; E288-K304 IonicContact OE2-NZ 3.83Å; E288-K304 PolarHBondContact OE2-NZ 3.45Å; F300-K304 HydrophobicContact CE1-CD 4.01Å; F300-K304 PolarHBondContact O-N 3.26Å; L301-K304 PolarHBondContact O-N 2.97Å; K304-N307 PolarHBondContact O-N 2.99Å; K304-L308 VanDerWaalsContact O-CB 3.31Å; K304-L308 WeakPolarHBondContact O-CB 3.22Å; K304-L308 PolarHBondContact O-N 2.95Å; K304-E337 WeakPolarHBondContact CE-OE1 3.38Å; K304-E337 IonicContact NZ-OE1 2.62Å; K304-E337 PolarHBondContact NZ-OE1 3.4Å; K304-L341 HydrophobicContact CB-CD1 4.47Å; K304-L341 HydrophobicContact CG-CD2 4.46Å
305A91.6Very high89.5Confident33 Ų3360 Ų6027%0.27330%0.304SS..Hα-helixtrans-60.2-46.8174.400000112.6L301 Q303 N307 L308 Q309 L341 I345L301-A305 WeakPolarHBondContact O-CB 3.41Å; L301-A305 PolarHBondContact O-N 2.94Å; Q303-A305 VanDerWaalsContact C-N 3.31Å; Q303-A305 PolarHBondContact O-N 3.23Å; A305-N307 PolarHBondContact O-N 3.06Å; A305-L308 PolarHBondContact O-N 3.26Å; A305-Q309 WeakPolarHBondContact O-CB 3.46Å; A305-Q309 PolarHBondContact O-N 3.22Å; A305-L341 HydrophobicContact CB-CD2 3.92Å; A305-I345 HydrophobicContact CB-CD1 4.43Å
306R92.4Very high88.9Confident154 Ų15466.1 Ų66.158%0.58132%0.316SS*.Hα-helixtrans-61.9-42.7176-74.7-176.4-74.9149.1-1.7112.2S302 Q303 A310S302-R306 PolarHBondContact O-N 3.5Å; S302-R306 PolarHBondContact O-NE 3.19Å; Q303-R306 PolarHBondContact O-N 2.89Å; R306-A310 PolarHBondContact O-N 3.21Å
307N90.3Very high88.3Confident81 Ų8167.9 Ų67.943%0.43334%0.342SS..Hα-helixtrans-63.7-43.6178.1-68.3-7.7000111.7Q303 K304 A305 A310 Q311Q303-N307 PolarHBondContact NE2-OD1 3.48Å; Q303-N307 VanDerWaalsContact O-CG 3.31Å; Q303-N307 PolarHBondContact O-N 2.87Å; Q303-N307 PolarHBondContact O-OD1 2.83Å; K304-N307 PolarHBondContact O-N 2.99Å; A305-N307 PolarHBondContact O-N 3.06Å; N307-A310 PolarHBondContact O-N 3.42Å; N307-Q311 WeakPolarHBondContact O-CG 3.35Å; N307-Q311 PolarHBondContact O-N 3.03Å; N307-Q311 VanDerWaalsContact O-N 3.1Å
308L88.1Confident88Confident5 Ų570.2 Ų70.23%0.02635%0.354CS..Hα-helixtrans-70.2-38.1-178.4-161.9140.9000111.5K304 A305 A310 Q311 Y312 E337 H338K304-L308 VanDerWaalsContact O-CB 3.31Å; K304-L308 WeakPolarHBondContact O-CB 3.22Å; K304-L308 PolarHBondContact O-N 2.95Å; A305-L308 PolarHBondContact O-N 3.26Å; L308-A310 PolarHBondContact O-N 3.09Å; L308-Q311 WeakPolarHBondContact O-CB 3.27Å; L308-Q311 PolarHBondContact O-N 2.84Å; L308-Y312 HydrophobicContact CD2-CD2 3.86Å; L308-Y312 HydrophobicContact CD2-CE2 3.79Å; L308-Y312 PolarHBondContact O-N 2.9Å; L308-E337 HydrophobicContact CD1-CB 3.93Å; L308-E337 HydrophobicContact CD1-CG 3.59Å; L308-H338 HydrophobicContact CD2-CB 3.66Å
309Q87.9Confident87.9Confident83 Ų8370.2 Ų70.239%0.38836%0.357SS..Hα-helixtrans-60.3-44.2171.2-176.156.747.900111.7A305 Q311 Y312 D313A305-Q309 WeakPolarHBondContact O-CB 3.46Å; A305-Q309 PolarHBondContact O-N 3.22Å; Q309-Q311 VanDerWaalsContact C-N 3.29Å; Q309-Q311 PolarHBondContact O-N 2.83Å; Q309-Y312 WeakPolarHBondContact O-CB 3.45Å; Q309-Y312 PolarHBondContact O-N 3.31Å; Q309-Y312 VanDerWaalsContact O-N 3.11Å; Q309-D313 PolarHBondContact NE2-OD1 2.85Å; Q309-D313 PolarHBondContact NE2-OD2 2.66Å; Q309-D313 VanDerWaalsContact NE2-OD2 3.08Å; Q309-D313 PolarHBondContact O-N 3.24Å
310A88.9Confident87.6Confident52 Ų5275.3 Ų75.343%0.4337%0.371SS..Hα-helixtrans-61.5-36.2176.200000112.5R306 N307 L308 D313 R314R306-A310 PolarHBondContact O-N 3.21Å; N307-A310 PolarHBondContact O-N 3.42Å; L308-A310 PolarHBondContact O-N 3.09Å; A310-D313 PolarHBondContact O-N 3.06Å; A310-R314 WeakPolarHBondContact O-CG 3.24Å; A310-R314 PolarHBondContact O-N 2.88Å
311Q85.3Confident87.4Confident75 Ų7580.7 Ų80.735%0.3540%0.395SS..Hα-helixtrans-66.2-39.1173.9-68.9177.817.700112N307 L308 Q309 D313 R314 L334N307-Q311 WeakPolarHBondContact O-CG 3.35Å; N307-Q311 PolarHBondContact O-N 3.03Å; N307-Q311 VanDerWaalsContact O-N 3.1Å; L308-Q311 WeakPolarHBondContact O-CB 3.27Å; L308-Q311 PolarHBondContact O-N 2.84Å; Q309-Q311 VanDerWaalsContact C-N 3.29Å; Q309-Q311 PolarHBondContact O-N 2.83Å; Q311-D313 VanDerWaalsContact C-N 3.35Å; Q311-R314 WeakPolarHBondContact O-CB 3.44Å; Q311-R314 PolarHBondContact O-N 3.43Å; Q311-L334 HydrophobicContact CB-CD2 4.4Å; Q311-L334 VanDerWaalsContact OE1-CD2 3.23Å
312Y83.1Confident87Confident23 Ų2385.4 Ų85.49%0.0942%0.417CS..Hα-helixtrans-62.1-40.6172.9-99.3-84.5000112.9L308 Q309 R314 R315 L331 L334 K335 H338L308-Y312 HydrophobicContact CD2-CD2 3.86Å; L308-Y312 HydrophobicContact CD2-CE2 3.79Å; L308-Y312 PolarHBondContact O-N 2.9Å; Q309-Y312 WeakPolarHBondContact O-CB 3.45Å; Q309-Y312 PolarHBondContact O-N 3.31Å; Q309-Y312 VanDerWaalsContact O-N 3.11Å; Y312-R314 VanDerWaalsContact C-N 3.25Å; Y312-R314 PolarHBondContact O-N 3.15Å; Y312-R315 WeakPolarHBondContact O-CB 3.16Å; Y312-R315 WeakPolarHBondContact O-CD 3.35Å; Y312-R315 WeakPolarHBondContact O-CG 3.41Å; Y312-R315 PolarHBondContact O-N 2.93Å; Y312-R315 PolarHBondContact O-NE 2.98Å; Y312-L331 HydrophobicContact CE1-CD1 3.85Å; Y312-L334 HydrophobicContact CE2-CB 3.78Å; Y312-L334 PolarHBondContact OH-O 2.93Å; Y312-K335 WeakPolarHBondContact OH-CA 3.45Å; Y312-K335 WeakPolarHBondContact OH-CG 3.49Å; Y312-K335 PolarHBondContact OH-N 3.39Å; Y312-K335 VanDerWaalsContact OH-N 3.08Å; Y312-H338 HydrophobicContact CE2-CB 4.36Å
313D85.9Confident86.8Confident52 Ų5286.9 Ų86.928%0.27842%0.42SS..Hα-helixtrans-71.6-19.1-176.6-71.7-36.5000113.3Q309 A310 Q311 R315 R316Q309-D313 PolarHBondContact NE2-OD1 2.85Å; Q309-D313 PolarHBondContact NE2-OD2 2.66Å; Q309-D313 VanDerWaalsContact NE2-OD2 3.08Å; Q309-D313 PolarHBondContact O-N 3.24Å; A310-D313 PolarHBondContact O-N 3.06Å; Q311-D313 VanDerWaalsContact C-N 3.35Å; D313-R315 PolarHBondContact O-N 2.85Å; D313-R315 VanDerWaalsContact O-N 3.07Å; D313-R316 WeakPolarHBondContact O-CB 3.27Å; D313-R316 PolarHBondContact O-N 3.39Å; D313-R316 IonicContact OD1-CZ 3.29Å; D313-R316 IonicContact OD1-NH2 3.2Å
314R83.7Confident86.4Confident172 Ų17290.5 Ų90.565%0.64944%0.435SS*.G310 helixtrans-56.4-24.5172.7-69.1175.3-173.9-175.2-0.9113.3A310 Q311 Y312 R316 G317 M318A310-R314 WeakPolarHBondContact O-CG 3.24Å; A310-R314 PolarHBondContact O-N 2.88Å; Q311-R314 WeakPolarHBondContact O-CB 3.44Å; Q311-R314 PolarHBondContact O-N 3.43Å; Y312-R314 VanDerWaalsContact C-N 3.25Å; Y312-R314 PolarHBondContact O-N 3.15Å; R314-R316 PolarHBondContact O-N 3.11Å; R314-R316 VanDerWaalsContact O-N 3.11Å; R314-G317 PolarHBondContact O-N 3.37Å; R314-M318 HydrophobicContact CB-CE 4.05Å
315R79.6Confident86.1Confident111 Ų11192.9 Ų92.942%0.41945%0.449SS..G310 helixtrans-58.2-23.7175.976.3-167.7168.4172.7-3.2113.6Y312 D313 G317 M323 F326Y312-R315 WeakPolarHBondContact O-CB 3.16Å; Y312-R315 WeakPolarHBondContact O-CD 3.35Å; Y312-R315 WeakPolarHBondContact O-CG 3.41Å; Y312-R315 PolarHBondContact O-N 2.93Å; Y312-R315 PolarHBondContact O-NE 2.98Å; D313-R315 PolarHBondContact O-N 2.85Å; D313-R315 VanDerWaalsContact O-N 3.07Å; R315-G317 PolarHBondContact O-N 2.88Å; R315-M323 HydrophobicContact CB-CE 4.31Å; R315-M323 VanDerWaalsContact O-CE 3.24Å; R315-M323 WeakPolarHBondContact O-CE 3.48Å; R315-F326 HydrophobicContact CB-CE1 4.16Å
316R79.9Confident85.9Confident199 Ų19991.6 Ų91.675%0.75144%0.437SS*.G310 helixtrans-73.1-7-175.2-66.1-178.6177.2171.33.5114.1D313 R314D313-R316 WeakPolarHBondContact O-CB 3.27Å; D313-R316 PolarHBondContact O-N 3.39Å; D313-R316 IonicContact OD1-CZ 3.29Å; D313-R316 IonicContact OD1-NH2 3.2Å; R314-R316 PolarHBondContact O-N 3.11Å; R314-R316 VanDerWaalsContact O-N 3.11Å
317G79.6Confident85.5Confident70 Ų7088.1 Ų88.172%0.72243%0.433SS*.G310 helixtrans-132.115.7-178.700000115R314 R315R314-G317 PolarHBondContact O-N 3.37Å; R315-G317 PolarHBondContact O-N 2.88Å
318M87.1Confident85.3Confident50 Ų5088.1 Ų88.125%0.24644%0.439CS..  trans-84.2142-179.1-69.3177.9-177.900111.9R314 Q322 M323 F326R314-M318 HydrophobicContact CB-CE 4.05Å; M318-Q322 HydrophobicContact CB-CB 3.89Å; M318-Q322 HydrophobicContact CG-CB 4.19Å; M318-M323 HydrophobicContact CB-CB 4.44Å; M318-M323 HydrophobicContact CB-CE 4.21Å; M318-F326 HydrophobicContact CE-CB 4.16Å; M318-F326 HydrophobicContact CE-CD2 3.68Å; M318-F326 HydrophobicContact CE-CE2 4.22Å; M318-F326 HydrophobicContact CE-CG 3.92Å; M318-F326 HydrophobicContact SD-CB 3.66Å; M318-F326 HydrophobicContact SD-CD1 4.34Å; M318-F326 HydrophobicContact SD-CD2 4.22Å; M318-F326 HydrophobicContact SD-CG 3.82Å
319D88.8Confident85.1Confident84 Ų8495 Ų9545%0.44947%0.471SS..  trans-70.9172.4166.374.739.4000111.7K321 Q322 M323D319-K321 VanDerWaalsContact C-N 3.3Å; D319-K321 PolarHBondContact O-N 2.96Å; D319-K321 WeakPolarHBondContact OD1-CA 3.35Å; D319-K321 WeakPolarHBondContact OD1-CB 3.39Å; D319-K321 PolarHBondContact OD1-N 3.47Å; D319-Q322 PolarHBondContact O-N 3.29Å; D319-Q322 WeakPolarHBondContact OD1-CB 3.41Å; D319-Q322 WeakPolarHBondContact OD1-CG 3.4Å; D319-Q322 PolarHBondContact OD1-N 3.45Å; D319-M323 VanDerWaalsContact O-CB 3.27Å; D319-M323 WeakPolarHBondContact O-CB 3.31Å; D319-M323 PolarHBondContact O-N 2.85Å
320I84.7Confident85Confident155 Ų15596 Ų9680%0.79548%0.476SS*.Hα-helixtrans-60.7-36.9-176.3-62.9172000112.4K324I320-K324 WeakPolarHBondContact O-CB 3.14Å; I320-K324 PolarHBondContact O-N 3.42Å
321K87.4Confident84.9Confident157 Ų15795.1 Ų95.168%0.68346%0.463SS*.Hα-helixtrans-72.9-43.7-179.1-175-179178.1-176.90110.5D319 K324 N325D319-K321 VanDerWaalsContact C-N 3.3Å; D319-K321 PolarHBondContact O-N 2.96Å; D319-K321 WeakPolarHBondContact OD1-CA 3.35Å; D319-K321 WeakPolarHBondContact OD1-CB 3.39Å; D319-K321 PolarHBondContact OD1-N 3.47Å; K321-K324 PolarHBondContact O-N 2.92Å; K321-N325 PolarHBondContact O-N 3.02Å
322Q86.7Confident85Confident100 Ų10099.7 Ų99.747%0.46748%0.482SS..Hα-helixtrans-62.9-42.5174.1-68.9173.5-2400111.4M318 D319 K324 N325 F326M318-Q322 HydrophobicContact CB-CB 3.89Å; M318-Q322 HydrophobicContact CG-CB 4.19Å; D319-Q322 PolarHBondContact O-N 3.29Å; D319-Q322 WeakPolarHBondContact OD1-CB 3.41Å; D319-Q322 WeakPolarHBondContact OD1-CG 3.4Å; D319-Q322 PolarHBondContact OD1-N 3.45Å; Q322-K324 PolarHBondContact O-N 3.48Å; Q322-N325 PolarHBondContact O-N 2.86Å; Q322-F326 WeakPolarHBondContact O-CB 3.38Å; Q322-F326 PolarHBondContact O-N 3.24Å
323M86.3Confident85.2Confident68 Ų68100.4 Ų100.434%0.33550%0.497SS..Hα-helixtrans-62.5-43.1176.2-176.361.470.700111.4R315 M318 D319 F326 V327R315-M323 HydrophobicContact CB-CE 4.31Å; R315-M323 VanDerWaalsContact O-CE 3.24Å; R315-M323 WeakPolarHBondContact O-CE 3.48Å; M318-M323 HydrophobicContact CB-CB 4.44Å; M318-M323 HydrophobicContact CB-CE 4.21Å; D319-M323 VanDerWaalsContact O-CB 3.27Å; D319-M323 WeakPolarHBondContact O-CB 3.31Å; D319-M323 PolarHBondContact O-N 2.85Å; M323-F326 PolarHBondContact O-N 3.36Å; M323-F326 HydrophobicContact SD-CD1 4.46Å; M323-V327 HydrophobicContact CG-CG2 4.41Å; M323-V327 WeakPolarHBondContact O-CB 3.33Å; M323-V327 VanDerWaalsContact O-CG2 3.29Å; M323-V327 WeakPolarHBondContact O-CG2 3.39Å; M323-V327 PolarHBondContact O-N 3.26Å; M323-V327 HydrophobicContact SD-CG2 4.07Å
324K84.9Confident85.2Confident157 Ų15798.6 Ų98.668%0.68349%0.487SS*.Hα-helixtrans-60.2-45.9175.2-173.8180179.1-178.40111.5I320 K321 Q322 S328I320-K324 WeakPolarHBondContact O-CB 3.14Å; I320-K324 PolarHBondContact O-N 3.42Å; K321-K324 PolarHBondContact O-N 2.92Å; Q322-K324 PolarHBondContact O-N 3.48Å; K324-S328 VanDerWaalsContact O-CB 3.32Å; K324-S328 WeakPolarHBondContact O-CB 3.33Å; K324-S328 PolarHBondContact O-N 3.13Å; K324-S328 PolarHBondContact O-OG 3.19Å
325N86.4Confident85.5Confident70 Ų7096.5 Ų96.537%0.37448%0.482SS..Hα-helixtrans-62.3-47.8176.3-70.1-4.7000111.8K321 Q322 V327 S328 Q329K321-N325 PolarHBondContact O-N 3.02Å; Q322-N325 PolarHBondContact O-N 2.86Å; N325-V327 PolarHBondContact O-N 3.03Å; N325-S328 PolarHBondContact O-N 3.02Å; N325-S328 PolarHBondContact O-OG 3Å; N325-S328 VanDerWaalsContact O-OG 3.13Å; N325-Q329 WeakPolarHBondContact O-CB 2.88Å; N325-Q329 PolarHBondContact O-N 3.43Å
326F86.1Confident86Confident6 Ų696.7 Ų96.73%0.02649%0.488CS..Iπ-helixtrans-57.8-48.5177.9177.7-100.8000112.7R315 M318 Q322 M323 S328 E330 L331 L334R315-F326 HydrophobicContact CB-CE1 4.16Å; M318-F326 HydrophobicContact CE-CB 4.16Å; M318-F326 HydrophobicContact CE-CD2 3.68Å; M318-F326 HydrophobicContact CE-CE2 4.22Å; M318-F326 HydrophobicContact CE-CG 3.92Å; M318-F326 HydrophobicContact SD-CB 3.66Å; M318-F326 HydrophobicContact SD-CD1 4.34Å; M318-F326 HydrophobicContact SD-CD2 4.22Å; M318-F326 HydrophobicContact SD-CG 3.82Å; Q322-F326 WeakPolarHBondContact O-CB 3.38Å; Q322-F326 PolarHBondContact O-N 3.24Å; M323-F326 PolarHBondContact O-N 3.36Å; M323-F326 HydrophobicContact SD-CD1 4.46Å; F326-S328 VanDerWaalsContact C-N 3.35Å; F326-S328 PolarHBondContact O-N 3.3Å; F326-E330 HydrophobicContact CD2-CB 3.92Å; F326-E330 HydrophobicContact CE2-CB 4.23Å; F326-E330 PolarHBondContact O-N 3.31Å; F326-L331 HydrophobicContact CE1-CB 4.25Å; F326-L331 HydrophobicContact CE1-CD1 3.97Å; F326-L331 HydrophobicContact CZ-CD1 4.29Å; F326-L331 PolarHBondContact O-N 2.87Å; F326-L334 HydrophobicContact CE2-CD1 3.61Å; F326-L334 HydrophobicContact CZ-CD1 3.87Å
327V85.3Confident86.5Confident81 Ų8189.1 Ų89.149%0.49146%0.461SS..Iπ-helixtrans-65-39.6180171.40000111.6M323 N325 L331M323-V327 HydrophobicContact CG-CG2 4.41Å; M323-V327 WeakPolarHBondContact O-CB 3.33Å; M323-V327 VanDerWaalsContact O-CG2 3.29Å; M323-V327 WeakPolarHBondContact O-CG2 3.39Å; M323-V327 PolarHBondContact O-N 3.26Å; M323-V327 HydrophobicContact SD-CG2 4.07Å; N325-V327 PolarHBondContact O-N 3.03Å; V327-L331 HydrophobicContact CG1-CD2 4.47Å; V327-L331 HydrophobicContact CG2-CD2 4.39Å
328S85.2Confident87Confident80 Ų8089.8 Ų89.856%0.55945%0.445SS*.Iπ-helixtrans-79.9-33-175.955.80000114.2K324 N325 F326K324-S328 VanDerWaalsContact O-CB 3.32Å; K324-S328 WeakPolarHBondContact O-CB 3.33Å; K324-S328 PolarHBondContact O-N 3.13Å; K324-S328 PolarHBondContact O-OG 3.19Å; N325-S328 PolarHBondContact O-N 3.02Å; N325-S328 PolarHBondContact O-OG 3Å; N325-S328 VanDerWaalsContact O-OG 3.13Å; F326-S328 VanDerWaalsContact C-N 3.35Å; F326-S328 PolarHBondContact O-N 3.3Å
329Q85.1Confident87.3Confident151 Ų15194.3 Ų94.371%0.70646%0.459SS*.Iπ-helixtrans-113.2-33.6-169.7-63.4-176-19.300113.6N325N325-Q329 WeakPolarHBondContact O-CB 2.88Å; N325-Q329 PolarHBondContact O-N 3.43Å
330E85.8Confident87.5Confident104 Ų10491.6 Ų91.649%0.48645%0.445SS..Iπ-helixtrans-110.2-40.4-168.4-64177.7-143.200113.3F326 K332 G333 L334F326-E330 HydrophobicContact CD2-CB 3.92Å; F326-E330 HydrophobicContact CE2-CB 4.23Å; F326-E330 PolarHBondContact O-N 3.31Å; E330-K332 VanDerWaalsContact C-N 3.3Å; E330-K332 PolarHBondContact O-N 2.83Å; E330-G333 PolarHBondContact O-N 2.94Å; E330-G333 VanDerWaalsContact O-N 3.14Å; E330-L334 HydrophobicContact CB-CD1 4.34Å; E330-L334 PolarHBondContact O-N 3.49Å
331L86Confident88Confident33 Ų3384.4 Ų84.417%0.17341%0.408CS..Hα-helixtrans-59-37.5-169.4-179.162.6000113.4Y312 F326 V327 K335Y312-L331 HydrophobicContact CE1-CD1 3.85Å; F326-L331 HydrophobicContact CE1-CB 4.25Å; F326-L331 HydrophobicContact CE1-CD1 3.97Å; F326-L331 HydrophobicContact CZ-CD1 4.29Å; F326-L331 PolarHBondContact O-N 2.87Å; V327-L331 HydrophobicContact CG1-CD2 4.47Å; V327-L331 HydrophobicContact CG2-CD2 4.39Å; L331-K335 HydrophobicContact CD1-CG 4.29Å; L331-K335 HydrophobicContact CG-CD 4.41Å; L331-K335 WeakPolarHBondContact O-CB 3.48Å; L331-K335 WeakPolarHBondContact O-CG 3.06Å; L331-K335 PolarHBondContact O-N 3.19Å
332K87.9Confident88.4Confident171 Ų17180.2 Ų80.274%0.74340%0.399SS*.Hα-helixtrans-64.1-46.6179.5-173.9-177.6176.2-173.50111.2E330 K335 Q336E330-K332 VanDerWaalsContact C-N 3.3Å; E330-K332 PolarHBondContact O-N 2.83Å; K332-K335 PolarHBondContact O-N 3Å; K332-Q336 PolarHBondContact O-N 3.31Å; K332-Q336 VanDerWaalsContact O-N 3.11Å
333G87.1Confident88.8Confident38 Ų3876 Ų7639%0.39238%0.379SS..Hα-helixtrans-63-46.2177.200000111.5E330 K335 Q336 E337E330-G333 PolarHBondContact O-N 2.94Å; E330-G333 VanDerWaalsContact O-N 3.14Å; G333-K335 VanDerWaalsContact C-N 3.33Å; G333-K335 PolarHBondContact O-N 2.96Å; G333-Q336 PolarHBondContact O-N 3.27Å; G333-E337 WeakPolarHBondContact O-CB 3.46Å; G333-E337 PolarHBondContact O-N 3.23Å
334L86.6Confident89.3Confident13 Ų1372.9 Ų72.97%0.06836%0.364CS..Hα-helixtrans-61.2-37.6177-71.7171.8000113.1Q311 Y312 F326 E330 H338Q311-L334 HydrophobicContact CB-CD2 4.4Å; Q311-L334 VanDerWaalsContact OE1-CD2 3.23Å; Y312-L334 HydrophobicContact CE2-CB 3.78Å; Y312-L334 PolarHBondContact OH-O 2.93Å; F326-L334 HydrophobicContact CE2-CD1 3.61Å; F326-L334 HydrophobicContact CZ-CD1 3.87Å; E330-L334 HydrophobicContact CB-CD1 4.34Å; E330-L334 PolarHBondContact O-N 3.49Å; L334-H338 VanDerWaalsContact O-CB 3.29Å; L334-H338 WeakPolarHBondContact O-CB 3.33Å; L334-H338 PolarHBondContact O-N 3.34Å
335K88.6Confident89.8Confident128 Ų12867.4 Ų67.456%0.55734%0.342SS*.Hα-helixtrans-65.4-43.4174.8-81.1-175.4177.5-175.40112Y312 L331 K332 G333 R339Y312-K335 WeakPolarHBondContact OH-CA 3.45Å; Y312-K335 WeakPolarHBondContact OH-CG 3.49Å; Y312-K335 PolarHBondContact OH-N 3.39Å; Y312-K335 VanDerWaalsContact OH-N 3.08Å; L331-K335 HydrophobicContact CD1-CG 4.29Å; L331-K335 HydrophobicContact CG-CD 4.41Å; L331-K335 WeakPolarHBondContact O-CB 3.48Å; L331-K335 WeakPolarHBondContact O-CG 3.06Å; L331-K335 PolarHBondContact O-N 3.19Å; K332-K335 PolarHBondContact O-N 3Å; G333-K335 VanDerWaalsContact C-N 3.33Å; G333-K335 PolarHBondContact O-N 2.96Å; K335-R339 PolarHBondContact O-N 3.43Å; K335-R339 VanDerWaalsContact O-N 3.08Å
336Q90.4Very high90.2Very high115 Ų11564.5 Ų64.554%0.53733%0.328SS..Hα-helixtrans-64.1-48177.7179.9174.4-3.800111K332 G333 H338 R339 L340K332-Q336 PolarHBondContact O-N 3.31Å; K332-Q336 VanDerWaalsContact O-N 3.11Å; G333-Q336 PolarHBondContact O-N 3.27Å; Q336-H338 PolarHBondContact O-N 3.4Å; Q336-R339 WeakPolarHBondContact O-CB 3.28Å; Q336-R339 PolarHBondContact O-N 2.94Å; Q336-R339 VanDerWaalsContact O-N 3.15Å; Q336-L340 HydrophobicContact CG-CD1 4.13Å; Q336-L340 WeakPolarHBondContact O-CG 3.34Å; Q336-L340 PolarHBondContact O-N 3.21Å
337E90.9Very high90.7Very high40 Ų4064.2 Ų64.219%0.18733%0.326CS..Hα-helixtrans-63.7-40.4179.6-167.1173.417200111.8V285 K304 L308 G333 R339 L340 L341V285-E337 HydrophobicContact CG2-CG 3.84Å; K304-E337 WeakPolarHBondContact CE-OE1 3.38Å; K304-E337 IonicContact NZ-OE1 2.62Å; K304-E337 PolarHBondContact NZ-OE1 3.4Å; L308-E337 HydrophobicContact CD1-CB 3.93Å; L308-E337 HydrophobicContact CD1-CG 3.59Å; G333-E337 WeakPolarHBondContact O-CB 3.46Å; G333-E337 PolarHBondContact O-N 3.23Å; E337-R339 VanDerWaalsContact C-N 3.33Å; E337-R339 PolarHBondContact O-N 3.43Å; E337-L340 PolarHBondContact O-N 2.64Å; E337-L341 WeakPolarHBondContact O-CB 3.28Å; E337-L341 PolarHBondContact O-N 3.48Å
338H90.8Very high91.2Very high84 Ų8460.3 Ų60.339%0.38930%0.303SS..Hα-helixtrans-59.4-42.2172.8-170.9-69.3000112.4L308 Y312 L334 Q336 S342L308-H338 HydrophobicContact CD2-CB 3.66Å; Y312-H338 HydrophobicContact CE2-CB 4.36Å; L334-H338 VanDerWaalsContact O-CB 3.29Å; L334-H338 WeakPolarHBondContact O-CB 3.33Å; L334-H338 PolarHBondContact O-N 3.34Å; Q336-H338 PolarHBondContact O-N 3.4Å; H338-S342 PolarHBondContact O-N 2.75Å
339R92.4Very high91.6Very high145 Ų14560.8 Ų60.855%0.54730%0.296SS..Hα-helixtrans-64.5-49.2179178-176.4171.8-173.5-1.6111.2K335 Q336 E337 L341 S342 L343K335-R339 PolarHBondContact O-N 3.43Å; K335-R339 VanDerWaalsContact O-N 3.08Å; Q336-R339 WeakPolarHBondContact O-CB 3.28Å; Q336-R339 PolarHBondContact O-N 2.94Å; Q336-R339 VanDerWaalsContact O-N 3.15Å; E337-R339 VanDerWaalsContact C-N 3.33Å; E337-R339 PolarHBondContact O-N 3.43Å; R339-L341 VanDerWaalsContact C-N 3.35Å; R339-S342 WeakPolarHBondContact O-CB 3.08Å; R339-S342 PolarHBondContact O-N 3.36Å; R339-L343 HydrophobicContact CG-CD1 4.38Å; R339-L343 WeakPolarHBondContact O-CG 3.29Å; R339-L343 PolarHBondContact O-N 2.74Å; R339-L343 VanDerWaalsContact O-N 3.14Å
340L93.9Very high92Very high27 Ų2753.9 Ų53.914%0.14127%0.265CS..Hα-helixtrans-63.9-41.9179.3-65.7173.7000111.2V277 D283 Q336 E337 S342 L343 H344V277-L340 HydrophobicContact CG1-CD2 4.25Å; D283-L340 HydrophobicContact CB-CD1 3.98Å; D283-L340 WeakPolarHBondContact OD2-CB 3.17Å; D283-L340 VanDerWaalsContact OD2-CD1 3.27Å; D283-L340 WeakPolarHBondContact OD2-CD1 3.36Å; Q336-L340 HydrophobicContact CG-CD1 4.13Å; Q336-L340 WeakPolarHBondContact O-CG 3.34Å; Q336-L340 PolarHBondContact O-N 3.21Å; E337-L340 PolarHBondContact O-N 2.64Å; L340-S342 VanDerWaalsContact C-N 3.33Å; L340-S342 PolarHBondContact O-N 3.04Å; L340-L343 HydrophobicContact CD2-CD1 4.43Å; L340-L343 WeakPolarHBondContact O-CB 3.25Å; L340-L343 PolarHBondContact O-N 3.36Å; L340-L343 VanDerWaalsContact O-N 3.12Å; L340-H344 PolarHBondContact O-CD2 3.19Å; L340-H344 PolarHBondContact O-N 3.38Å
341L94.9Very high92.4Very high5 Ų549 Ų493%0.02624%0.242CC..Hα-helixtrans-56.4-45.8174-179.558.7000112.3V285 L301 K304 A305 E337 R339 L343 H344 I345V285-L341 HydrophobicContact CG1-CD1 3.88Å; V285-L341 HydrophobicContact CG2-CB 4.09Å; V285-L341 HydrophobicContact CG2-CD1 4.46Å; L301-L341 HydrophobicContact CB-CD1 4.35Å; L301-L341 HydrophobicContact CD2-CD1 3.68Å; K304-L341 HydrophobicContact CB-CD1 4.47Å; K304-L341 HydrophobicContact CG-CD2 4.46Å; A305-L341 HydrophobicContact CB-CD2 3.92Å; E337-L341 WeakPolarHBondContact O-CB 3.28Å; E337-L341 PolarHBondContact O-N 3.48Å; R339-L341 VanDerWaalsContact C-N 3.35Å; L341-L343 VanDerWaalsContact C-N 3.31Å; L341-L343 PolarHBondContact O-N 2.85Å; L341-H344 PolarHBondContact O-N 3.4Å; L341-I345 HydrophobicContact CD1-CD1 4.23Å; L341-I345 HydrophobicContact CD1-CG1 4.44Å; L341-I345 HydrophobicContact CG-CD1 4.09Å; L341-I345 WeakPolarHBondContact O-CG1 3.25Å; L341-I345 PolarHBondContact O-N 3.42Å
342S94.1Very high92.6Very high69 Ų6950.8 Ų50.848%0.48325%0.25SS..Hα-helixtrans-61.1-39.4176.9-170.50000112.3H338 R339 L340 I345 G346H338-S342 PolarHBondContact O-N 2.75Å; R339-S342 WeakPolarHBondContact O-CB 3.08Å; R339-S342 PolarHBondContact O-N 3.36Å; L340-S342 VanDerWaalsContact C-N 3.33Å; L340-S342 PolarHBondContact O-N 3.04Å; S342-I345 PolarHBondContact O-N 3.41Å; S342-G346 PolarHBondContact O-N 2.82Å
343L95.5Very high92.7Very high12 Ų1249.5 Ų49.56%0.06325%0.245CC..Hα-helixtrans-66.8-43177.1-67.8166.1000111.2V268 T269 L275 V277 R339 L340 L341 I345 G346 A347V268-L343 HydrophobicContact CG1-CD2 4.35Å; V268-L343 VanDerWaalsContact CG1-O 3.31Å; V268-L343 WeakPolarHBondContact CG1-O 3.27Å; T269-L343 HydrophobicContact CG2-CD2 4.16Å; L275-L343 HydrophobicContact CD2-CD1 3.58Å; L275-L343 HydrophobicContact CD2-CD2 4.05Å; L275-L343 HydrophobicContact CD2-CG 4.47Å; V277-L343 HydrophobicContact CG2-CD1 3.93Å; R339-L343 HydrophobicContact CG-CD1 4.38Å; R339-L343 WeakPolarHBondContact O-CG 3.29Å; R339-L343 PolarHBondContact O-N 2.74Å; R339-L343 VanDerWaalsContact O-N 3.14Å; L340-L343 HydrophobicContact CD2-CD1 4.43Å; L340-L343 WeakPolarHBondContact O-CB 3.25Å; L340-L343 PolarHBondContact O-N 3.36Å; L340-L343 VanDerWaalsContact O-N 3.12Å; L341-L343 VanDerWaalsContact C-N 3.31Å; L341-L343 PolarHBondContact O-N 2.85Å; L343-I345 VanDerWaalsContact C-N 3.33Å; L343-I345 PolarHBondContact O-N 2.99Å; L343-G346 PolarHBondContact O-N 3.01Å; L343-A347 WeakPolarHBondContact O-CB 3.45Å; L343-A347 PolarHBondContact O-N 2.94Å
344H96.8Very high92.7Very high2 Ų252.5 Ų52.51%0.00925%0.247CC..Hα-helixtrans-66-33.9177-72.4-57.1000113.2Y247 D283 V285 F286 I289 L301 L340 L341 C348Y247-H344 AromaticContact CE1-ND1 3.61Å; Y247-H344 AromaticContact CZ-ND1 3.63Å; Y247-H344 WeakPolarHBondContact OH-CA 3.33Å; Y247-H344 PolarHBondContact OH-ND1 2.94Å; Y247-H344 PolarHBondContact OH-O 3.37Å; D283-H344 IonicContact OD2-CD2 2.94Å; D283-H344 IonicContact OD2-NE2 2.8Å; D283-H344 PolarHBondContact OD2-NE2 2.93Å; D283-H344 VanDerWaalsContact OD2-NE2 3.08Å; V285-H344 HydrophobicContact CG1-CB 4.35Å; F286-H344 AromaticContact CD2-CE1 3.66Å; I289-H344 HydrophobicContact CD1-CB 4.14Å; L301-H344 HydrophobicContact CD1-CB 4.33Å; L301-H344 HydrophobicContact CD2-CB 4.23Å; L340-H344 PolarHBondContact O-CD2 3.19Å; L340-H344 PolarHBondContact O-N 3.38Å; L341-H344 PolarHBondContact O-N 3.4Å; H344-C348 VanDerWaalsContact O-CB 3.29Å; H344-C348 WeakPolarHBondContact O-CB 3.22Å; H344-C348 PolarHBondContact O-N 2.97Å
345I95.4Very high92.5Very high42 Ų4253.8 Ų53.822%0.21525%0.252CS..Hα-helixtrans-63.7-50.5171-69.9167.8000110.2L301 A305 L341 S342 L343 A347 C348 E349L301-I345 HydrophobicContact CB-CG1 4.02Å; L301-I345 HydrophobicContact CD1-CG1 4.2Å; A305-I345 HydrophobicContact CB-CD1 4.43Å; L341-I345 HydrophobicContact CD1-CD1 4.23Å; L341-I345 HydrophobicContact CD1-CG1 4.44Å; L341-I345 HydrophobicContact CG-CD1 4.09Å; L341-I345 WeakPolarHBondContact O-CG1 3.25Å; L341-I345 PolarHBondContact O-N 3.42Å; S342-I345 PolarHBondContact O-N 3.41Å; L343-I345 VanDerWaalsContact C-N 3.33Å; L343-I345 PolarHBondContact O-N 2.99Å; I345-A347 VanDerWaalsContact C-N 3.32Å; I345-A347 PolarHBondContact O-N 3.08Å; I345-C348 WeakPolarHBondContact O-CB 3.2Å; I345-C348 PolarHBondContact O-N 3.33Å; I345-C348 VanDerWaalsContact O-N 3.11Å; I345-E349 WeakPolarHBondContact O-CG 3.49Å; I345-E349 PolarHBondContact O-N 3.38Å
346G95.4Very high91.7Very high8 Ų851.6 Ų51.68%0.08225%0.249CC..Hα-helixtrans-59.7-40.9177.700000112.8S342 L343 E349 S350S342-G346 PolarHBondContact O-N 2.82Å; L343-G346 PolarHBondContact O-N 3.01Å; G346-E349 PolarHBondContact O-N 3.45Å; G346-S350 WeakPolarHBondContact O-CB 3.14Å; G346-S350 PolarHBondContact O-N 3.45Å
347A96.4Very high91.1Very high0 Ų052.2 Ų52.20%025%0.25CS..Hα-helixtrans-62.5-44.4174.100000111.4F255 F264 V268 L343 I345 E349 S350 I351F255-A347 HydrophobicContact CE2-CB 4.09Å; F255-A347 HydrophobicContact CZ-CB 4.46Å; F264-A347 HydrophobicContact CE1-CB 3.81Å; F264-A347 HydrophobicContact CZ-CB 3.99Å; V268-A347 HydrophobicContact CG1-CB 4.19Å; V268-A347 HydrophobicContact CG2-CB 4.25Å; L343-A347 WeakPolarHBondContact O-CB 3.45Å; L343-A347 PolarHBondContact O-N 2.94Å; I345-A347 VanDerWaalsContact C-N 3.32Å; I345-A347 PolarHBondContact O-N 3.08Å; A347-E349 PolarHBondContact O-N 2.73Å; A347-S350 PolarHBondContact O-N 2.66Å; A347-I351 WeakPolarHBondContact O-CB 3.36Å; A347-I351 WeakPolarHBondContact O-CD1 3.5Å; A347-I351 WeakPolarHBondContact O-CG1 3.4Å; A347-I351 PolarHBondContact O-N 3.33Å
348C95.1Very high90.7Very high0 Ų057 Ų570%027%0.273CS..Hα-helixtrans-60.4-45.5176.2-169.80000111.8L301 H344 I345 S350 I351 M352L301-C348 HydrophobicContact CD1-CB 4.17Å; H344-C348 VanDerWaalsContact O-CB 3.29Å; H344-C348 WeakPolarHBondContact O-CB 3.22Å; H344-C348 PolarHBondContact O-N 2.97Å; I345-C348 WeakPolarHBondContact O-CB 3.2Å; I345-C348 PolarHBondContact O-N 3.33Å; I345-C348 VanDerWaalsContact O-N 3.11Å; C348-S350 PolarHBondContact O-N 2.88Å; C348-I351 PolarHBondContact O-N 3.21Å; C348-M352 WeakPolarHBondContact O-CB 3.39Å; C348-M352 VanDerWaalsContact O-CG 3.26Å; C348-M352 WeakPolarHBondContact O-CG 3.4Å; C348-M352 PolarHBondContact O-N 3.32Å
349E93.4Very high90.3Very high89 Ų8955.9 Ų55.942%0.41627%0.27SS..Hα-helixtrans-62.1-43.1177-71.6-179.5178.100112.3I345 G346 A347 M352 K353I345-E349 WeakPolarHBondContact O-CG 3.49Å; I345-E349 PolarHBondContact O-N 3.38Å; G346-E349 PolarHBondContact O-N 3.45Å; A347-E349 PolarHBondContact O-N 2.73Å; E349-M352 PolarHBondContact O-N 3.45Å; E349-K353 WeakPolarHBondContact O-CG 3.21Å; E349-K353 PolarHBondContact O-N 2.87Å
350S94.2Very high90Very high7 Ų750.4 Ų50.45%0.04925%0.25CC..Hα-helixtrans-66.2-42.3177.7178.50000112E267 G346 A347 C348 K353 K354E267-S350 WeakPolarHBondContact CG-OG 3.49Å; G346-S350 WeakPolarHBondContact O-CB 3.14Å; G346-S350 PolarHBondContact O-N 3.45Å; A347-S350 PolarHBondContact O-N 2.66Å; C348-S350 PolarHBondContact O-N 2.88Å; S350-K353 PolarHBondContact O-N 3.33Å; S350-K354 PolarHBondContact O-N 2.88Å; S350-K354 VanDerWaalsContact O-N 3.16Å
351I94Very high89.7Confident0 Ų054.9 Ų54.90%027%0.27CS..Hα-helixtrans-60-48.4172.8-68.8163.8000109.9Y247 L250 V251 T254 F255 F294 A347 C348 K353 K354 K355Y247-I351 HydrophobicContact CE2-CD1 4.48Å; L250-I351 HydrophobicContact CB-CD1 4.21Å; L250-I351 HydrophobicContact CB-CG2 4.18Å; L250-I351 HydrophobicContact CD1-CG2 4.17Å; V251-I351 HydrophobicContact CG2-CD1 3.97Å; T254-I351 HydrophobicContact CG2-CG1 4.12Å; F255-I351 HydrophobicContact CE2-CD1 4.05Å; F255-I351 HydrophobicContact CE2-CG1 3.81Å; F255-I351 HydrophobicContact CZ-CG1 4.41Å; F294-I351 HydrophobicContact CD2-CG2 4.47Å; F294-I351 HydrophobicContact CE1-CG2 3.88Å; F294-I351 HydrophobicContact CE2-CB 4.12Å; F294-I351 HydrophobicContact CE2-CD1 4.17Å; F294-I351 HydrophobicContact CE2-CG2 3.71Å; F294-I351 HydrophobicContact CZ-CB 3.78Å; F294-I351 HydrophobicContact CZ-CG2 3.37Å; A347-I351 WeakPolarHBondContact O-CB 3.36Å; A347-I351 WeakPolarHBondContact O-CD1 3.5Å; A347-I351 WeakPolarHBondContact O-CG1 3.4Å; A347-I351 PolarHBondContact O-N 3.33Å; C348-I351 PolarHBondContact O-N 3.21Å; I351-K353 PolarHBondContact O-N 2.74Å; I351-K354 PolarHBondContact O-N 3.09Å; I351-K354 VanDerWaalsContact O-N 3.13Å; I351-K355 HydrophobicContact CG2-CB 4.4Å; I351-K355 HydrophobicContact CG2-CG 4.12Å; I351-K355 VanDerWaalsContact O-CB 3.3Å; I351-K355 WeakPolarHBondContact O-CB 3.47Å; I351-K355 PolarHBondContact O-N 3.42Å
352M90.5Very high89.6Confident71 Ų7157.7 Ų57.735%0.3528%0.283SS..Hα-helixtrans-56.7-49.4178-73.7175.874.600111F294 F298 C348 E349 K354 K355 T356F294-M352 HydrophobicContact CE1-CG 3.68Å; F294-M352 HydrophobicContact CZ-CG 3.79Å; F298-M352 HydrophobicContact CD2-SD 4.31Å; C348-M352 WeakPolarHBondContact O-CB 3.39Å; C348-M352 VanDerWaalsContact O-CG 3.26Å; C348-M352 WeakPolarHBondContact O-CG 3.4Å; C348-M352 PolarHBondContact O-N 3.32Å; E349-M352 PolarHBondContact O-N 3.45Å; M352-K354 PolarHBondContact O-N 2.84Å; M352-K354 VanDerWaalsContact O-N 3.15Å; M352-K355 PolarHBondContact O-N 3.31Å; M352-T356 HydrophobicContact CB-CG2 4.18Å; M352-T356 HydrophobicContact CG-CG2 4.49Å; M352-T356 WeakPolarHBondContact O-CB 3.33Å; M352-T356 WeakPolarHBondContact O-CG2 3.45Å; M352-T356 PolarHBondContact O-N 3.37Å; M352-T356 PolarHBondContact O-OG1 3.23Å
353K90.4Very high89.5Confident145 Ų14554.6 Ų54.663%0.6326%0.261SS*.Hα-helixtrans-56.5-34.2178.2-73.4169.5-175.3168.80113.6E349 S350 I351E349-K353 WeakPolarHBondContact O-CG 3.21Å; E349-K353 PolarHBondContact O-N 2.87Å; S350-K353 PolarHBondContact O-N 3.33Å; I351-K353 PolarHBondContact O-N 2.74Å
354K86.4Confident89.4Confident101 Ų10155.1 Ų55.144%0.43926%0.264SS..Hα-helixtrans-83.2-39.4178.6-70.7177.4179.7-179.60112.6T254 S350 I351 M352T254-K354 HydrophobicContact CG2-CD 3.62Å; S350-K354 PolarHBondContact O-N 2.88Å; S350-K354 VanDerWaalsContact O-N 3.16Å; I351-K354 PolarHBondContact O-N 3.09Å; I351-K354 VanDerWaalsContact O-N 3.13Å; M352-K354 PolarHBondContact O-N 2.84Å; M352-K354 VanDerWaalsContact O-N 3.15Å
355K83.1Confident89.3Confident39 Ų3961 Ų6117%0.1729%0.289CS..Hα-helixtrans-107.20.1-166.8-60.2-75.5-175.3174.60114.4L250 I351 M352 F360L250-K355 HydrophobicContact CD2-CG 4.49Å; I351-K355 HydrophobicContact CG2-CB 4.4Å; I351-K355 HydrophobicContact CG2-CG 4.12Å; I351-K355 VanDerWaalsContact O-CB 3.3Å; I351-K355 WeakPolarHBondContact O-CB 3.47Å; I351-K355 PolarHBondContact O-N 3.42Å; M352-K355 PolarHBondContact O-N 3.31Å; K355-F360 HydrophobicContact CB-CD1 4Å; K355-F360 HydrophobicContact CB-CE1 4.05Å; K355-F360 HydrophobicContact CB-CG 4.26Å; K355-F360 HydrophobicContact CB-CZ 4.44Å; K355-F360 HydrophobicContact CD-CD1 4.31Å; K355-F360 HydrophobicContact CD-CD2 3.53Å; K355-F360 HydrophobicContact CD-CE1 4.15Å; K355-F360 HydrophobicContact CD-CE2 3.41Å; K355-F360 VanDerWaalsContact CD-CE2 3.41Å; K355-F360 HydrophobicContact CD-CG 3.98Å; K355-F360 HydrophobicContact CD-CZ 3.71Å; K355-F360 WeakPolarHBondContact O-CD1 3.43Å; K355-F360 WeakPolarHBondContact O-CG 3.22Å
356T72.4Confident89.3Confident82 Ų8259.4 Ų59.450%0.50328%0.281SS..SBendtrans-100.49.8169.566.30000112.9M352M352-T356 HydrophobicContact CB-CG2 4.18Å; M352-T356 HydrophobicContact CG-CG2 4.49Å; M352-T356 WeakPolarHBondContact O-CB 3.33Å; M352-T356 WeakPolarHBondContact O-CG2 3.45Å; M352-T356 PolarHBondContact O-N 3.37Å; M352-T356 PolarHBondContact O-OG1 3.23Å
357K76.7Confident89.4Confident128 Ų12859 Ų5956%0.55728%0.278SS*.SBendtrans-67.3146.8171.8-66.8-175.9178.2-177.50109.6D359 F360 Q361K357-D359 PolarHBondContact O-N 2.77Å; K357-F360 PolarHBondContact O-N 3.14Å; K357-Q361 PolarHBondContact O-N 3.45Å
358Q81.7Confident89.3Confident141 Ų14160.6 Ų60.666%0.65929%0.285SS*.Hα-helixtrans-51.9-40177.8-175.3178.4-3.600111.8F360 Q361 E362Q358-F360 VanDerWaalsContact C-N 3.31Å; Q358-F360 PolarHBondContact O-N 2.99Å; Q358-Q361 PolarHBondContact O-N 2.78Å; Q358-Q361 VanDerWaalsContact O-N 3.16Å; Q358-E362 PolarHBondContact O-N 2.78Å
359D83.1Confident89.3Confident61 Ų6161.3 Ų61.333%0.32629%0.291SS..Hα-helixtrans-57.7-40.1177.9-63.5-37.9000112.6K357 L363 Y382 R389K357-D359 PolarHBondContact O-N 2.77Å; D359-L363 WeakPolarHBondContact O-CB 3.49Å; D359-L363 PolarHBondContact O-N 2.88Å; D359-Y382 PolarHBondContact O-OH 2.94Å; D359-R389 IonicContact OD1-CZ 3.88Å; D359-R389 IonicContact OD1-NH1 2.98Å; D359-R389 PolarHBondContact OD1-NH1 2.93Å; D359-R389 IonicContact OD1-NH2 3.98Å; D359-R389 PolarHBondContact OD1-NH2 3.32Å; D359-R389 IonicContact OD2-NH2 2.8Å; D359-R389 PolarHBondContact OD2-NH2 2.93Å
360F85.9Confident89.4Confident29 Ų2957.1 Ų57.113%0.12727%0.271CS..Hα-helixtrans-70.7-36.5178.4-176.7-101.2000112.2K355 K357 Q358 L363 I364K355-F360 HydrophobicContact CB-CD1 4Å; K355-F360 HydrophobicContact CB-CE1 4.05Å; K355-F360 HydrophobicContact CB-CG 4.26Å; K355-F360 HydrophobicContact CB-CZ 4.44Å; K355-F360 HydrophobicContact CD-CD1 4.31Å; K355-F360 HydrophobicContact CD-CD2 3.53Å; K355-F360 HydrophobicContact CD-CE1 4.15Å; K355-F360 HydrophobicContact CD-CE2 3.41Å; K355-F360 VanDerWaalsContact CD-CE2 3.41Å; K355-F360 HydrophobicContact CD-CG 3.98Å; K355-F360 HydrophobicContact CD-CZ 3.71Å; K355-F360 WeakPolarHBondContact O-CD1 3.43Å; K355-F360 WeakPolarHBondContact O-CG 3.22Å; K357-F360 PolarHBondContact O-N 3.14Å; Q358-F360 VanDerWaalsContact C-N 3.31Å; Q358-F360 PolarHBondContact O-N 2.99Å; F360-L363 HydrophobicContact CD2-CD2 4.19Å; F360-L363 HydrophobicContact CE2-CD2 4.13Å; F360-L363 PolarHBondContact O-N 3.44Å; F360-I364 HydrophobicContact CD1-CG1 4.03Å; F360-I364 HydrophobicContact CE1-CD1 4.1Å; F360-I364 HydrophobicContact CE1-CG1 3.58Å; F360-I364 HydrophobicContact CE2-CD1 4.11Å; F360-I364 HydrophobicContact CE2-CG1 4.09Å; F360-I364 HydrophobicContact CZ-CD1 3.65Å; F360-I364 HydrophobicContact CZ-CG1 3.62Å; F360-I364 WeakPolarHBondContact O-CG1 3.39Å; F360-I364 PolarHBondContact O-N 2.77Å
361Q88.3Confident89.4Confident121 Ų12157 Ų5757%0.56527%0.27SS*.Hα-helixtrans-65.2-43.5177.2-67.7-179.3-23.100111.4K357 Q358 L363 I364 K365K357-Q361 PolarHBondContact O-N 3.45Å; Q358-Q361 PolarHBondContact O-N 2.78Å; Q358-Q361 VanDerWaalsContact O-N 3.16Å; Q361-L363 VanDerWaalsContact C-N 3.33Å; Q361-I364 PolarHBondContact O-N 3.44Å; Q361-K365 VanDerWaalsContact O-CB 3.3Å; Q361-K365 WeakPolarHBondContact O-CB 3.18Å; Q361-K365 PolarHBondContact O-N 3.43Å
362E92.1Very high89.2Confident65 Ų6560.6 Ų60.630%0.30429%0.287SS..Hα-helixtrans-67.6-33.2174.9-67.2-62.5152.300112.1Q358 K365 T366 Y382Q358-E362 PolarHBondContact O-N 2.78Å; E362-K365 PolarHBondContact O-N 3.21Å; E362-K365 IonicContact OE1-NZ 3.31Å; E362-K365 IonicContact OE2-NZ 3.7Å; E362-K365 PolarHBondContact OE2-NZ 3.35Å; E362-T366 WeakPolarHBondContact O-CB 3.42Å; E362-T366 PolarHBondContact O-N 3.25Å; E362-T366 PolarHBondContact O-OG1 2.97Å; E362-Y382 HydrophobicContact CB-CD2 4.32Å; E362-Y382 HydrophobicContact CB-CE2 3.56Å
363L93.6Very high89Confident4 Ų457.7 Ų57.72%0.02128%0.275CS..Hα-helixtrans-62.3-48.5173.3173151.9000111.7S243 D359 F360 Q361 T366 E367 Y382 E395S243-L363 WeakPolarHBondContact OG-CD2 3.35Å; D359-L363 WeakPolarHBondContact O-CB 3.49Å; D359-L363 PolarHBondContact O-N 2.88Å; F360-L363 HydrophobicContact CD2-CD2 4.19Å; F360-L363 HydrophobicContact CE2-CD2 4.13Å; F360-L363 PolarHBondContact O-N 3.44Å; Q361-L363 VanDerWaalsContact C-N 3.33Å; L363-T366 PolarHBondContact O-N 2.92Å; L363-E367 WeakPolarHBondContact O-CB 3.48Å; L363-E367 PolarHBondContact O-N 3.25Å; L363-Y382 WeakPolarHBondContact CA-OH 3.33Å; L363-Y382 WeakPolarHBondContact CB-OH 3.06Å; L363-Y382 PolarHBondContact N-OH 3.07Å; L363-E395 HydrophobicContact CD1-CB 4.25Å; L363-E395 HydrophobicContact CD1-CG 4.35Å
364I93.3Very high88.8Confident22 Ų2256.5 Ų56.511%0.11327%0.27CS..Hα-helixtrans-63.6-42.9177.2-68.7-66000111.1S243 F360 Q361 T366 E367 H368S243-I364 WeakPolarHBondContact OG-CD1 3.28Å; F360-I364 HydrophobicContact CD1-CG1 4.03Å; F360-I364 HydrophobicContact CE1-CD1 4.1Å; F360-I364 HydrophobicContact CE1-CG1 3.58Å; F360-I364 HydrophobicContact CE2-CD1 4.11Å; F360-I364 HydrophobicContact CE2-CG1 4.09Å; F360-I364 HydrophobicContact CZ-CD1 3.65Å; F360-I364 HydrophobicContact CZ-CG1 3.62Å; F360-I364 WeakPolarHBondContact O-CG1 3.39Å; F360-I364 PolarHBondContact O-N 2.77Å; Q361-I364 PolarHBondContact O-N 3.44Å; I364-T366 VanDerWaalsContact C-N 3.33Å; I364-T366 PolarHBondContact O-N 3.06Å; I364-E367 WeakPolarHBondContact O-CB 3.47Å; I364-E367 PolarHBondContact O-N 3.06Å; I364-H368 WeakPolarHBondContact CG2-CE1 3.41Å; I364-H368 PolarHBondContact O-CD2 2.78Å; I364-H368 VanDerWaalsContact O-CG 3.27Å; I364-H368 PolarHBondContact O-N 3.09Å
365K94.1Very high88.9Confident125 Ų12556.1 Ų56.154%0.54327%0.273SS..Hα-helixtrans-61.1-42.8177.1178.3-178.9157.9-151.10111.9Q361 E362 H368 A369Q361-K365 VanDerWaalsContact O-CB 3.3Å; Q361-K365 WeakPolarHBondContact O-CB 3.18Å; Q361-K365 PolarHBondContact O-N 3.43Å; E362-K365 PolarHBondContact O-N 3.21Å; E362-K365 IonicContact OE1-NZ 3.31Å; E362-K365 IonicContact OE2-NZ 3.7Å; E362-K365 PolarHBondContact OE2-NZ 3.35Å; K365-H368 PolarHBondContact O-N 3.22Å; K365-A369 WeakPolarHBondContact O-CB 3.34Å; K365-A369 PolarHBondContact O-N 3.43Å
366T96.1Very high89.2Confident9 Ų956 Ų566%0.05527%0.274CS..Hα-helixtrans-64.4-44.9175.2-590000111E362 L363 I364 H368 A369 L370 Y382E362-T366 WeakPolarHBondContact O-CB 3.42Å; E362-T366 PolarHBondContact O-N 3.25Å; E362-T366 PolarHBondContact O-OG1 2.97Å; L363-T366 PolarHBondContact O-N 2.92Å; I364-T366 VanDerWaalsContact C-N 3.33Å; I364-T366 PolarHBondContact O-N 3.06Å; T366-H368 PolarHBondContact O-N 3.39Å; T366-A369 PolarHBondContact O-N 3.09Å; T366-L370 HydrophobicContact CG2-CD1 4.4Å; T366-L370 WeakPolarHBondContact O-CG 3.48Å; T366-L370 PolarHBondContact O-N 2.86Å; T366-Y382 HydrophobicContact CG2-CD1 3.77Å; T366-Y382 HydrophobicContact CG2-CE1 4.46Å; T366-Y382 HydrophobicContact CG2-CG 4.33Å; T366-Y382 WeakPolarHBondContact OG1-CD1 2.95Å
367E96.2Very high90.1Very high1 Ų159.4 Ų59.41%0.00528%0.277CS..Hα-helixtrans-55.8-49.1175.9-169.4179.6117.600111.7C242 S243 L363 I364 L370 L371 R398 L402C242-E367 VanDerWaalsContact CA-OE1 3.24Å; C242-E367 WeakPolarHBondContact CA-OE1 3.35Å; C242-E367 VanDerWaalsContact CB-OE1 3.29Å; C242-E367 WeakPolarHBondContact CB-OE1 3.49Å; S243-E367 WeakPolarHBondContact CB-OE2 3.35Å; S243-E367 VanDerWaalsContact N-CD 3.27Å; S243-E367 PolarHBondContact N-OE1 3.31Å; S243-E367 PolarHBondContact N-OE2 3.48Å; S243-E367 PolarHBondContact OG-OE2 2.72Å; L363-E367 WeakPolarHBondContact O-CB 3.48Å; L363-E367 PolarHBondContact O-N 3.25Å; I364-E367 WeakPolarHBondContact O-CB 3.47Å; I364-E367 PolarHBondContact O-N 3.06Å; E367-L370 PolarHBondContact O-N 3.35Å; E367-L371 HydrophobicContact CG-CD1 4.46Å; E367-L371 VanDerWaalsContact O-CG 3.32Å; E367-L371 WeakPolarHBondContact O-CG 3.15Å; E367-L371 PolarHBondContact O-N 2.84Å; E367-L371 VanDerWaalsContact O-N 3.12Å; E367-R398 IonicContact OE2-CZ 3.45Å; E367-R398 VanDerWaalsContact OE2-CZ 3.31Å; E367-R398 IonicContact OE2-NH1 3.52Å; E367-R398 PolarHBondContact OE2-NH1 2.78Å; E367-R398 IonicContact OE2-NH2 2.88Å; E367-R398 PolarHBondContact OE2-NH2 3.31Å; E367-L402 HydrophobicContact CB-CD2 4.32Å; E367-L402 HydrophobicContact CG-CD2 3.53Å
368H95.1Very high91Very high33 Ų3359.2 Ų59.215%0.15328%0.279CS..Hα-helixtrans-63.4-42.4177.6-64.6177.4000112.4I364 K365 T366 L370 L371 E372 A516I364-H368 WeakPolarHBondContact CG2-CE1 3.41Å; I364-H368 PolarHBondContact O-CD2 2.78Å; I364-H368 VanDerWaalsContact O-CG 3.27Å; I364-H368 PolarHBondContact O-N 3.09Å; K365-H368 PolarHBondContact O-N 3.22Å; T366-H368 PolarHBondContact O-N 3.39Å; H368-L370 VanDerWaalsContact C-N 3.28Å; H368-L370 PolarHBondContact O-N 3.38Å; H368-L371 PolarHBondContact O-N 2.84Å; H368-L371 VanDerWaalsContact O-N 3.13Å; H368-E372 WeakPolarHBondContact O-CG 3.46Å; H368-E372 PolarHBondContact O-N 3.11Å; H368-A516 HydrophobicContact CB-CB 3.99Å; H368-A516 VanDerWaalsContact CD2-CB 3.42Å; H368-A516 WeakPolarHBondContact CD2-CB 3.32Å; H368-A516 VanDerWaalsContact CG-CB 3.45Å
369A94.2Very high91.6Very high15 Ų1552.6 Ų52.612%0.12425%0.248CC..Hα-helixtrans-58.6-40.8176.900000112K365 T366 E372 G373 F374K365-A369 WeakPolarHBondContact O-CB 3.34Å; K365-A369 PolarHBondContact O-N 3.43Å; T366-A369 PolarHBondContact O-N 3.09Å; A369-E372 PolarHBondContact O-N 2.87Å; A369-G373 PolarHBondContact O-N 3.5Å; A369-F374 CarbonylContact C-O 3.59Å; A369-F374 PolarHBondContact O-N 3.35Å; A369-F374 VanDerWaalsContact O-O 3.11Å
370L95.3Very high92.2Very high0 Ų050.5 Ų50.50%024%0.238CC..Hα-helixtrans-64.2-41.4175.2-67.1175.3000112.4T366 E367 H368 G373 I376 L402 L403 T406T366-L370 HydrophobicContact CG2-CD1 4.4Å; T366-L370 WeakPolarHBondContact O-CG 3.48Å; T366-L370 PolarHBondContact O-N 2.86Å; E367-L370 PolarHBondContact O-N 3.35Å; H368-L370 VanDerWaalsContact C-N 3.28Å; H368-L370 PolarHBondContact O-N 3.38Å; L370-G373 PolarHBondContact O-N 3.34Å; L370-I376 HydrophobicContact CD2-CD1 4.07Å; L370-L402 HydrophobicContact CB-CD2 4.26Å; L370-L402 HydrophobicContact CB-CG 4.29Å; L370-L402 HydrophobicContact CD1-CB 4.34Å; L370-L402 HydrophobicContact CD1-CD2 4.04Å; L370-L402 HydrophobicContact CD1-CG 4.13Å; L370-L403 HydrophobicContact CD1-CB 4.15Å; L370-L403 HydrophobicContact CD2-CB 4.05Å; L370-L403 HydrophobicContact CD2-CD1 3.48Å; L370-L403 VanDerWaalsContact CD2-CD1 3.48Å; L370-L403 HydrophobicContact CD2-CG 4.32Å; L370-T406 WeakPolarHBondContact O-CB 3.42Å; L370-T406 WeakPolarHBondContact O-CG2 3.4Å
371L94.8Very high92.7Very high4 Ų452.3 Ų52.32%0.02125%0.254CS..Hα-helixtrans-66.3-38.9178.1-65.8167.3000112.1V238 E367 H368 G373 L402 F484 I494 Y517V238-L371 HydrophobicContact CG1-CD2 3.33Å; E367-L371 HydrophobicContact CG-CD1 4.46Å; E367-L371 VanDerWaalsContact O-CG 3.32Å; E367-L371 WeakPolarHBondContact O-CG 3.15Å; E367-L371 PolarHBondContact O-N 2.84Å; E367-L371 VanDerWaalsContact O-N 3.12Å; H368-L371 PolarHBondContact O-N 2.84Å; H368-L371 VanDerWaalsContact O-N 3.13Å; L371-G373 VanDerWaalsContact C-N 3.27Å; L371-G373 PolarHBondContact O-N 2.92Å; L371-L402 HydrophobicContact CD2-CD1 4.08Å; L371-F484 HydrophobicContact CD2-CE1 4.34Å; L371-F484 HydrophobicContact CD2-CZ 3.92Å; L371-F484 WeakPolarHBondContact O-CE1 3.48Å; L371-I494 HydrophobicContact CB-CD1 4.18Å; L371-I494 WeakPolarHBondContact O-CD1 3.37Å; L371-Y517 HydrophobicContact CD1-CG 4.31Å; L371-Y517 HydrophobicContact CD2-CD2 4.44Å; L371-Y517 HydrophobicContact CD2-CG 4.35Å
372E90.4Very high93.2Very high76 Ų7647.9 Ų47.936%0.35523%0.232SC..Hα-helixtrans-77-17178.2-64174.4-177.600112.6H368 A369 F374 I494H368-E372 WeakPolarHBondContact O-CG 3.46Å; H368-E372 PolarHBondContact O-N 3.11Å; A369-E372 PolarHBondContact O-N 2.87Å; E372-F374 HydrophobicContact CB-CD2 3.58Å; E372-F374 HydrophobicContact CB-CE2 4.09Å; E372-I494 HydrophobicContact CG-CG2 4Å
373G86.9Confident93.4Very high11 Ų1144.8 Ų44.811%0.11322%0.217CC..THydrogen-bonded Turntrans7237.2-176.400000112.4A369 L370 L371 R485A369-G373 PolarHBondContact O-N 3.5Å; L370-G373 PolarHBondContact O-N 3.34Å; L371-G373 VanDerWaalsContact C-N 3.27Å; L371-G373 PolarHBondContact O-N 2.92Å; G373-R485 PolarHBondContact O-NH2 2.96Å
374F86.3Confident93.6Very high120 Ų12047.1 Ų47.153%0.52623%0.228SC..  trans-117159.4175.7-67-58000110.8A369 E372 I376A369-F374 CarbonylContact C-O 3.59Å; A369-F374 PolarHBondContact O-N 3.35Å; A369-F374 VanDerWaalsContact O-O 3.11Å; E372-F374 HydrophobicContact CB-CD2 3.58Å; E372-F374 HydrophobicContact CB-CE2 4.09Å; F374-I376 PolarHBondContact O-N 3.38Å
375N88.1Confident93.8Very high93 Ų9350.6 Ų50.650%0.49724%0.244SC..  trans50.337.2171.5-63.8-0.4000114.5R377 E378 S379N375-R377 VanDerWaalsContact C-N 3.27Å; N375-R377 PolarHBondContact O-N 2.97Å; N375-E378 HydrophobicContact CB-CB 4.26Å; N375-E378 VanDerWaalsContact CB-OE2 3.25Å; N375-E378 WeakPolarHBondContact CB-OE2 3.44Å; N375-E378 PolarHBondContact ND2-OE2 2.96Å; N375-E378 PolarHBondContact O-N 2.94Å; N375-E378 VanDerWaalsContact O-N 3.14Å; N375-S379 WeakPolarHBondContact O-CB 3.47Å; N375-S379 PolarHBondContact O-N 3.45Å; N375-S379 PolarHBondContact O-OG 3.21Å
376I89.6Confident93.9Very high36 Ų3645 Ų4519%0.18522%0.22CC..Hα-helixtrans-58-39.8-175.5-57.5-57.4000111.7L370 F374 S379 T380 L403 E407L370-I376 HydrophobicContact CD2-CD1 4.07Å; F374-I376 PolarHBondContact O-N 3.38Å; I376-S379 WeakPolarHBondContact O-CB 3.34Å; I376-S379 PolarHBondContact O-N 3.11Å; I376-T380 PolarHBondContact O-N 3.02Å; I376-T380 PolarHBondContact O-OG1 3.41Å; I376-L403 HydrophobicContact CG2-CD1 3.69Å; I376-E407 HydrophobicContact CD1-CG 4.34Å; I376-E407 HydrophobicContact CG2-CG 4.34Å
377R91.3Very high94Very high153 Ų15344.6 Ų44.658%0.57722%0.217SC*.Hα-helixtrans-64.5-44.9177.6-68.4-177.8-178.6178.9-1.3112.7N375 S379 T380 S381 D473N375-R377 VanDerWaalsContact C-N 3.27Å; N375-R377 PolarHBondContact O-N 2.97Å; R377-S379 VanDerWaalsContact C-N 3.28Å; R377-S379 PolarHBondContact O-N 2.81Å; R377-T380 PolarHBondContact O-N 3.15Å; R377-S381 PolarHBondContact O-N 2.81Å; R377-S381 PolarHBondContact O-OG 3.47Å; R377-D473 IonicContact CZ-OD1 3.91Å; R377-D473 IonicContact CZ-OD2 3.33Å; R377-D473 VanDerWaalsContact NH1-CG 3.29Å; R377-D473 IonicContact NH1-OD1 3.08Å; R377-D473 IonicContact NH1-OD2 2.71Å; R377-D473 PolarHBondContact NH1-OD2 2.99Å; R377-D473 IonicContact NH2-OD1 3.78Å; R377-D473 PolarHBondContact NH2-OD1 3.03Å; R377-D473 IonicContact NH2-OD2 2.76Å; R377-D473 PolarHBondContact NH2-OD2 2.97Å; R377-D473 VanDerWaalsContact NH2-OD2 3.08Å
378E94.2Very high94Very high124 Ų12449.4 Ų49.458%0.57924%0.243SC*.Hα-helixtrans-64.5-39177.5-64.3164.6-172.900110.2N375 S381 Y382N375-E378 HydrophobicContact CB-CB 4.26Å; N375-E378 VanDerWaalsContact CB-OE2 3.25Å; N375-E378 WeakPolarHBondContact CB-OE2 3.44Å; N375-E378 PolarHBondContact ND2-OE2 2.96Å; N375-E378 PolarHBondContact O-N 2.94Å; N375-E378 VanDerWaalsContact O-N 3.14Å; E378-S381 PolarHBondContact O-N 3.26Å; E378-Y382 PolarHBondContact O-N 2.88Å
379S95.3Very high94.1Very high3 Ų353.8 Ų53.82%0.02126%0.258CS..Hα-helixtrans-62.8-44.2174.5-55.50000111.6N375 I376 R377 Y382 I383N375-S379 WeakPolarHBondContact O-CB 3.47Å; N375-S379 PolarHBondContact O-N 3.45Å; N375-S379 PolarHBondContact O-OG 3.21Å; I376-S379 WeakPolarHBondContact O-CB 3.34Å; I376-S379 PolarHBondContact O-N 3.11Å; R377-S379 VanDerWaalsContact C-N 3.28Å; R377-S379 PolarHBondContact O-N 2.81Å; S379-Y382 PolarHBondContact O-N 2.76Å; S379-I383 VanDerWaalsContact O-CG1 3.26Å; S379-I383 WeakPolarHBondContact O-CG1 3.44Å; S379-I383 PolarHBondContact O-N 3.23Å
380T95.9Very high94.1Very high17 Ų1758.7 Ų58.710%0.10428%0.279CS..Hα-helixtrans-60.5-46.1173.4-58.50000111.4I376 R377 Y382 I383 E384 L418I376-T380 PolarHBondContact O-N 3.02Å; I376-T380 PolarHBondContact O-OG1 3.41Å; R377-T380 PolarHBondContact O-N 3.15Å; T380-Y382 VanDerWaalsContact C-N 3.33Å; T380-Y382 PolarHBondContact O-N 3.17Å; T380-I383 WeakPolarHBondContact O-CB 3.38Å; T380-I383 PolarHBondContact O-N 3.34Å; T380-I383 VanDerWaalsContact O-N 3.12Å; T380-E384 WeakPolarHBondContact O-CG 3.29Å; T380-E384 PolarHBondContact O-N 3.35Å; T380-L418 HydrophobicContact CG2-CD1 4.37Å
381S96.8Very high94Very high66 Ų6661.3 Ų61.346%0.46229%0.294SS..Hα-helixtrans-63.6-36.8177.9-65.60000112.9R377 E378 I383 E384 E385R377-S381 PolarHBondContact O-N 2.81Å; R377-S381 PolarHBondContact O-OG 3.47Å; E378-S381 PolarHBondContact O-N 3.26Å; S381-I383 VanDerWaalsContact C-N 3.33Å; S381-E384 PolarHBondContact O-N 2.8Å; S381-E385 PolarHBondContact O-N 3.24Å
382Y97.1Very high93.9Very high28 Ų2862.2 Ų62.211%0.1130%0.301CS..Hα-helixtrans-62.2-41.9171.9175.3-92.9000111.5D359 E362 L363 T366 E378 S379 T380 E385 H386 L399D359-Y382 PolarHBondContact O-OH 2.94Å; E362-Y382 HydrophobicContact CB-CD2 4.32Å; E362-Y382 HydrophobicContact CB-CE2 3.56Å; L363-Y382 WeakPolarHBondContact CA-OH 3.33Å; L363-Y382 WeakPolarHBondContact CB-OH 3.06Å; L363-Y382 PolarHBondContact N-OH 3.07Å; T366-Y382 HydrophobicContact CG2-CD1 3.77Å; T366-Y382 HydrophobicContact CG2-CE1 4.46Å; T366-Y382 HydrophobicContact CG2-CG 4.33Å; T366-Y382 WeakPolarHBondContact OG1-CD1 2.95Å; E378-Y382 PolarHBondContact O-N 2.88Å; S379-Y382 PolarHBondContact O-N 2.76Å; T380-Y382 VanDerWaalsContact C-N 3.33Å; T380-Y382 PolarHBondContact O-N 3.17Å; Y382-E385 PolarHBondContact O-N 2.89Å; Y382-H386 VanDerWaalsContact O-CB 3.24Å; Y382-H386 WeakPolarHBondContact O-CB 3.43Å; Y382-H386 PolarHBondContact O-N 2.93Å; Y382-L399 HydrophobicContact CD1-CD1 4.21Å; Y382-L399 HydrophobicContact CE1-CD1 3.78Å
383I97.8Very high94.1Very high0 Ų060.9 Ų60.90%030%0.299CS..Hα-helixtrans-63.2-43.2176.7-65.6165.9000110.8S379 T380 S381 H386 I387 L399 M400 L403 L418S379-I383 VanDerWaalsContact O-CG1 3.26Å; S379-I383 WeakPolarHBondContact O-CG1 3.44Å; S379-I383 PolarHBondContact O-N 3.23Å; T380-I383 WeakPolarHBondContact O-CB 3.38Å; T380-I383 PolarHBondContact O-N 3.34Å; T380-I383 VanDerWaalsContact O-N 3.12Å; S381-I383 VanDerWaalsContact C-N 3.33Å; I383-H386 PolarHBondContact O-N 3.26Å; I383-I387 HydrophobicContact CG2-CD1 3.91Å; I383-I387 VanDerWaalsContact O-CG1 3.27Å; I383-I387 WeakPolarHBondContact O-CG1 3.46Å; I383-I387 PolarHBondContact O-N 3.38Å; I383-L399 HydrophobicContact CD1-CB 3.89Å; I383-L399 HydrophobicContact CG1-CB 3.76Å; I383-L399 HydrophobicContact CG1-CD1 4.25Å; I383-M400 HydrophobicContact CG2-CG 3.64Å; I383-L403 HydrophobicContact CD1-CB 4.24Å; I383-L403 HydrophobicContact CD1-CD2 4.02Å; I383-L418 HydrophobicContact CG2-CD2 3.94Å
384E97.8Very high94.5Very high54 Ų5462.4 Ų62.425%0.25230%0.304SS..Hα-helixtrans-57.9-51.6174.1-68.1-178.4139.100110.9T380 S381 H386 I387 D388 L418 Q421T380-E384 WeakPolarHBondContact O-CG 3.29Å; T380-E384 PolarHBondContact O-N 3.35Å; S381-E384 PolarHBondContact O-N 2.8Å; E384-H386 VanDerWaalsContact C-N 3.29Å; E384-H386 PolarHBondContact O-N 3Å; E384-I387 WeakPolarHBondContact O-CB 3.31Å; E384-I387 PolarHBondContact O-N 3.17Å; E384-I387 VanDerWaalsContact O-N 3.13Å; E384-D388 WeakPolarHBondContact O-CB 3.5Å; E384-D388 PolarHBondContact O-N 2.9Å; E384-L418 HydrophobicContact CG-CD2 3.55Å; E384-Q421 PolarHBondContact OE1-NE2 2.95Å; E384-Q421 VanDerWaalsContact OE1-NE2 3.09Å
385E96.9Very high94.9Very high95 Ų9559.3 Ų59.344%0.44429%0.292SS..Hα-helixtrans-58.9-41.4177.7-168.2-161.4136.800111.9S381 Y382 I387 D388 R389S381-E385 PolarHBondContact O-N 3.24Å; Y382-E385 PolarHBondContact O-N 2.89Å; E385-I387 VanDerWaalsContact C-N 3.31Å; E385-I387 PolarHBondContact O-N 3.4Å; E385-D388 PolarHBondContact O-N 3.18Å; E385-R389 HydrophobicContact CG-CG 4.33Å; E385-R389 VanDerWaalsContact O-CB 3.3Å; E385-R389 WeakPolarHBondContact O-CB 3.49Å; E385-R389 VanDerWaalsContact O-CG 3.31Å; E385-R389 WeakPolarHBondContact O-CG 3.29Å; E385-R389 PolarHBondContact O-N 2.97Å; E385-R389 VanDerWaalsContact OE1-CD 3.24Å; E385-R389 WeakPolarHBondContact OE1-CD 3.34Å; E385-R389 IonicContact OE1-CZ 3.54Å; E385-R389 IonicContact OE1-NE 2.76Å; E385-R389 IonicContact OE1-NH1 3.08Å; E385-R389 PolarHBondContact OE1-NH1 3.2Å
386H96.6Very high95.3Very high8 Ų854.9 Ų54.94%0.03727%0.268CS..Hα-helixtrans-64.1-36.2179.3-170.8-80.3000112.1Y382 I383 E384 Q390 V391 E395 S396 Y426Y382-H386 VanDerWaalsContact O-CB 3.24Å; Y382-H386 WeakPolarHBondContact O-CB 3.43Å; Y382-H386 PolarHBondContact O-N 2.93Å; I383-H386 PolarHBondContact O-N 3.26Å; E384-H386 VanDerWaalsContact C-N 3.29Å; E384-H386 PolarHBondContact O-N 3Å; H386-Q390 PolarHBondContact O-N 3.39Å; H386-V391 WeakPolarHBondContact NE2-CB 3.47Å; H386-V391 WeakPolarHBondContact NE2-CG1 3.31Å; H386-V391 PolarHBondContact O-N 2.8Å; H386-E395 IonicContact NE2-OE2 2.77Å; H386-S396 PolarHBondContact CE1-OG 2.9Å; H386-S396 PolarHBondContact ND1-OG 2.98Å; H386-Y426 PolarHBondContact O-OH 3.01Å
387I97.8Very high95.6Very high0 Ų053.4 Ų53.40%026%0.26CS..Hα-helixtrans-70.1-47173.4-69.3165.1000110.8I383 E384 E385 R389 Q390 M400 L418 Q421 Y422 S425 Y426I383-I387 HydrophobicContact CG2-CD1 3.91Å; I383-I387 VanDerWaalsContact O-CG1 3.27Å; I383-I387 WeakPolarHBondContact O-CG1 3.46Å; I383-I387 PolarHBondContact O-N 3.38Å; E384-I387 WeakPolarHBondContact O-CB 3.31Å; E384-I387 PolarHBondContact O-N 3.17Å; E384-I387 VanDerWaalsContact O-N 3.13Å; E385-I387 VanDerWaalsContact C-N 3.31Å; E385-I387 PolarHBondContact O-N 3.4Å; I387-R389 VanDerWaalsContact C-N 3.3Å; I387-R389 PolarHBondContact O-N 3.48Å; I387-Q390 PolarHBondContact O-N 2.7Å; I387-M400 HydrophobicContact CD1-SD 3.91Å; I387-L418 HydrophobicContact CD1-CD2 4.15Å; I387-Q421 HydrophobicContact CG2-CB 4.04Å; I387-Y422 HydrophobicContact CD1-CD2 4.32Å; I387-Y422 HydrophobicContact CG1-CD2 4.29Å; I387-S425 PolarHBondContact O-OG 2.94Å; I387-Y426 HydrophobicContact CB-CE2 4.39Å; I387-Y426 HydrophobicContact CG1-CE2 4.28Å; I387-Y426 HydrophobicContact CG2-CE2 4.07Å
388D96.4Very high95.9Very high102 Ų10246.4 Ų46.455%0.54523%0.234SC..Hα-helixtrans-64.1-36.5-177.8-73.3-15.8000111.9E384 E385 Q390E384-D388 WeakPolarHBondContact O-CB 3.5Å; E384-D388 PolarHBondContact O-N 2.9Å; E385-D388 PolarHBondContact O-N 3.18Å; D388-Q390 PolarHBondContact O-N 2.6Å
389R95.8Very high96.1Very high124 Ų12440.5 Ų40.547%0.46821%0.206SC..THydrogen-bonded Turntrans-76.3-6.7174.1-72.3174.160.7-166.7-9113.7D359 E385 I387 V391D359-R389 IonicContact OD1-CZ 3.88Å; D359-R389 IonicContact OD1-NH1 2.98Å; D359-R389 PolarHBondContact OD1-NH1 2.93Å; D359-R389 IonicContact OD1-NH2 3.98Å; D359-R389 PolarHBondContact OD1-NH2 3.32Å; D359-R389 IonicContact OD2-NH2 2.8Å; D359-R389 PolarHBondContact OD2-NH2 2.93Å; E385-R389 HydrophobicContact CG-CG 4.33Å; E385-R389 VanDerWaalsContact O-CB 3.3Å; E385-R389 WeakPolarHBondContact O-CB 3.49Å; E385-R389 VanDerWaalsContact O-CG 3.31Å; E385-R389 WeakPolarHBondContact O-CG 3.29Å; E385-R389 PolarHBondContact O-N 2.97Å; E385-R389 VanDerWaalsContact OE1-CD 3.24Å; E385-R389 WeakPolarHBondContact OE1-CD 3.34Å; E385-R389 IonicContact OE1-CZ 3.54Å; E385-R389 IonicContact OE1-NE 2.76Å; E385-R389 IonicContact OE1-NH1 3.08Å; E385-R389 PolarHBondContact OE1-NH1 3.2Å; I387-R389 VanDerWaalsContact C-N 3.3Å; I387-R389 PolarHBondContact O-N 3.48Å; R389-V391 VanDerWaalsContact C-N 3.25Å; R389-V391 HydrophobicContact CB-CG2 3.78Å; R389-V391 PolarHBondContact O-N 2.94Å
390Q95.3Very high96.2Very high118 Ų11840.4 Ų40.455%0.55121%0.205SC*.THydrogen-bonded Turntrans52.739.6-177-62.9179.3-22.500113.4H386 I387 D388 S425 Y426H386-Q390 PolarHBondContact O-N 3.39Å; I387-Q390 PolarHBondContact O-N 2.7Å; D388-Q390 PolarHBondContact O-N 2.6Å; Q390-S425 PolarHBondContact NE2-O 2.8Å; Q390-Y426 WeakPolarHBondContact CA-OH 3.33Å; Q390-Y426 HydrophobicContact CB-CE1 4.11Å; Q390-Y426 HydrophobicContact CG-CE1 4.34Å
391V92.8Very high96.3Very high55 Ų5539.6 Ų39.633%0.33320%0.2SC..  trans-63.4-49.8-174.21770000111.1H386 R389H386-V391 WeakPolarHBondContact NE2-CB 3.47Å; H386-V391 WeakPolarHBondContact NE2-CG1 3.31Å; H386-V391 PolarHBondContact O-N 2.8Å; R389-V391 VanDerWaalsContact C-N 3.25Å; R389-V391 HydrophobicContact CB-CG2 3.78Å; R389-V391 PolarHBondContact O-N 2.94Å
392S93.6Very high96.4Very high24 Ų2436.5 Ų36.517%0.16818%0.179CC..  trans-165.6126.5177.7169.60000111E395 S396 Y426S392-E395 WeakPolarHBondContact CB-OE2 3.25Å; S392-E395 PolarHBondContact OG-N 3.15Å; S392-S396 WeakPolarHBondContact O-CB 3.48Å; S392-S396 PolarHBondContact O-N 3.14Å; S392-S396 PolarHBondContact O-OG 2.99Å; S392-Y426 PolarHBondContact O-OH 2.69Å
393P94.6Very high96.4Very high48 Ų4835.4 Ų35.431%0.31218%0.175SC..Hα-helixtrans-62.8-43.1177.122-30.7000111.8S396 L397 Y422 Y426P393-S396 PolarHBondContact O-N 3.41Å; P393-L397 WeakPolarHBondContact O-CG 3.46Å; P393-L397 PolarHBondContact O-N 3.49Å; P393-Y422 WeakPolarHBondContact CA-OH 3.44Å; P393-Y422 WeakPolarHBondContact CB-OH 3.5Å; P393-Y422 PolarHBondContact O-OH 3.31Å; P393-Y426 HydrophobicContact CB-CD1 3.8Å; P393-Y426 HydrophobicContact CB-CD2 4.34Å; P393-Y426 HydrophobicContact CB-CE1 4.03Å; P393-Y426 HydrophobicContact CB-CG 3.95Å; P393-Y426 HydrophobicContact CG-CD1 4.32Å; P393-Y426 HydrophobicContact CG-CE1 4.43Å
394I94.3Very high96.3Very high43 Ų4335.4 Ų35.422%0.22118%0.175CC..Hα-helixtrans-64.9-46.4-178.6-68.5176.6000111.1L397 R398 A606 M609 E610I394-L397 PolarHBondContact O-N 2.88Å; I394-R398 VanDerWaalsContact O-CB 3.25Å; I394-R398 WeakPolarHBondContact O-CB 3.2Å; I394-R398 PolarHBondContact O-N 3.49Å; I394-A606 HydrophobicContact CG2-CB 4.39Å; I394-M609 HydrophobicContact CG2-CB 3.95Å; I394-M609 HydrophobicContact CG2-CG 4.2Å; I394-E610 HydrophobicContact CD1-CG 4.08Å
395E95.1Very high96.2Very high55 Ų5534.5 Ų34.526%0.25717%0.171SC..Hα-helixtrans-68.4-37.3-179.2-66.7173147.400111.3L363 H386 S392 R398 L399L363-E395 HydrophobicContact CD1-CB 4.25Å; L363-E395 HydrophobicContact CD1-CG 4.35Å; H386-E395 IonicContact NE2-OE2 2.77Å; S392-E395 WeakPolarHBondContact CB-OE2 3.25Å; S392-E395 PolarHBondContact OG-N 3.15Å; E395-R398 WeakPolarHBondContact O-CB 3.31Å; E395-R398 PolarHBondContact O-N 3.17Å; E395-L399 WeakPolarHBondContact O-CG 3.3Å; E395-L399 PolarHBondContact O-N 2.98Å
396S96.4Very high96Very high0 Ų030 Ų300%015%0.15CC..Hα-helixtrans-61.7-49.9174.3-540000111.5H386 S392 P393 R398 L399 M400 Y426H386-S396 PolarHBondContact CE1-OG 2.9Å; H386-S396 PolarHBondContact ND1-OG 2.98Å; S392-S396 WeakPolarHBondContact O-CB 3.48Å; S392-S396 PolarHBondContact O-N 3.14Å; S392-S396 PolarHBondContact O-OG 2.99Å; P393-S396 PolarHBondContact O-N 3.41Å; S396-R398 VanDerWaalsContact C-N 3.31Å; S396-R398 PolarHBondContact O-N 2.98Å; S396-L399 PolarHBondContact O-N 3.37Å; S396-M400 VanDerWaalsContact O-CG 3.3Å; S396-M400 WeakPolarHBondContact O-CG 3.33Å; S396-M400 PolarHBondContact O-N 3.18Å; S396-Y426 PolarHBondContact OG-OH 3.1Å; S396-Y426 VanDerWaalsContact OG-OH 3.12Å
397L96.1Very high95.8Very high5 Ų531.5 Ų31.53%0.02616%0.158CC..Hα-helixtrans-59.5-43.2176.9-76.1176.7000111.7P393 I394 L399 M400 C401 Y422 T433 F434 L437 M609P393-L397 WeakPolarHBondContact O-CG 3.46Å; P393-L397 PolarHBondContact O-N 3.49Å; I394-L397 PolarHBondContact O-N 2.88Å; L397-L399 PolarHBondContact O-N 3.09Å; L397-M400 WeakPolarHBondContact O-CB 3.2Å; L397-M400 PolarHBondContact O-N 3.48Å; L397-C401 PolarHBondContact O-N 3.25Å; L397-C401 PolarHBondContact O-SG 3.17Å; L397-Y422 HydrophobicContact CD1-CE2 4.34Å; L397-Y422 VanDerWaalsContact CD1-OH 3.29Å; L397-Y422 WeakPolarHBondContact CD1-OH 3.49Å; L397-Y422 HydrophobicContact CD2-CD2 4.03Å; L397-Y422 HydrophobicContact CD2-CE1 4.1Å; L397-Y422 HydrophobicContact CD2-CE2 3.58Å; L397-Y422 HydrophobicContact CD2-CG 4.48Å; L397-Y422 HydrophobicContact CG-CD2 4.36Å; L397-Y422 HydrophobicContact CG-CE1 4.35Å; L397-Y422 HydrophobicContact CG-CE2 3.46Å; L397-Y422 VanDerWaalsContact CG-CE2 3.46Å; L397-Y422 VanDerWaalsContact CG-CZ 3.47Å; L397-Y422 WeakPolarHBondContact CG-OH 3.37Å; L397-T433 HydrophobicContact CD1-CG2 3.78Å; L397-F434 HydrophobicContact CD2-CE2 3.99Å; L397-F434 HydrophobicContact CD2-CZ 4.18Å; L397-L437 HydrophobicContact CD2-CD1 3.91Å; L397-M609 HydrophobicContact CB-SD 4.05Å
398R97Very high95.5Very high6 Ų633.7 Ų33.72%0.02317%0.169CC..Hα-helixtrans-58.9-46.6178.7-177-171.379.2111.92.7111.7L241 S243 E367 I394 E395 S396 C401 L402 S605 M609L241-R398 HydrophobicContact CB-CG 4.34Å; L241-R398 HydrophobicContact CD2-CG 3.96Å; L241-R398 WeakPolarHBondContact O-CD 3.31Å; L241-R398 VanDerWaalsContact O-CG 3.31Å; L241-R398 WeakPolarHBondContact O-CG 3.1Å; L241-R398 PolarHBondContact O-NH1 3.39Å; S243-R398 VanDerWaalsContact N-NH1 3.17Å; S243-R398 PolarHBondContact OG-NH1 3.28Å; S243-R398 PolarHBondContact OG-NH2 3.39Å; E367-R398 IonicContact OE2-CZ 3.45Å; E367-R398 VanDerWaalsContact OE2-CZ 3.31Å; E367-R398 IonicContact OE2-NH1 3.52Å; E367-R398 PolarHBondContact OE2-NH1 2.78Å; E367-R398 IonicContact OE2-NH2 2.88Å; E367-R398 PolarHBondContact OE2-NH2 3.31Å; I394-R398 VanDerWaalsContact O-CB 3.25Å; I394-R398 WeakPolarHBondContact O-CB 3.2Å; I394-R398 PolarHBondContact O-N 3.49Å; E395-R398 WeakPolarHBondContact O-CB 3.31Å; E395-R398 PolarHBondContact O-N 3.17Å; S396-R398 VanDerWaalsContact C-N 3.31Å; S396-R398 PolarHBondContact O-N 2.98Å; R398-C401 PolarHBondContact O-N 3.1Å; R398-L402 WeakPolarHBondContact O-CB 3.33Å; R398-L402 PolarHBondContact O-N 2.63Å; R398-S605 WeakPolarHBondContact CD-OG 3.27Å; R398-M609 HydrophobicContact CB-CG 4.15Å; R398-M609 HydrophobicContact CB-SD 4.39Å
399L97.9Very high95.3Very high0 Ų029 Ų290%014%0.144CC..Hα-helixtrans-66.2-39.5177.1-69.3172.2000112Y382 I383 E395 S396 L397 C401 L402 L403Y382-L399 HydrophobicContact CD1-CD1 4.21Å; Y382-L399 HydrophobicContact CE1-CD1 3.78Å; I383-L399 HydrophobicContact CD1-CB 3.89Å; I383-L399 HydrophobicContact CG1-CB 3.76Å; I383-L399 HydrophobicContact CG1-CD1 4.25Å; E395-L399 WeakPolarHBondContact O-CG 3.3Å; E395-L399 PolarHBondContact O-N 2.98Å; S396-L399 PolarHBondContact O-N 3.37Å; L397-L399 PolarHBondContact O-N 3.09Å; L399-C401 VanDerWaalsContact C-N 3.34Å; L399-C401 PolarHBondContact O-N 3.18Å; L399-L402 PolarHBondContact O-N 3.14Å; L399-L403 WeakPolarHBondContact O-CB 3.39Å; L399-L403 PolarHBondContact O-N 2.74Å
400M98.1Very high95.2Very high0 Ų023.4 Ų23.40%012%0.124CC..Hα-helixtrans-60.5-42.8173.2-69.7176.664.300111.9I383 I387 S396 L397 S404 L418 Y422 F434 L443I383-M400 HydrophobicContact CG2-CG 3.64Å; I387-M400 HydrophobicContact CD1-SD 3.91Å; S396-M400 VanDerWaalsContact O-CG 3.3Å; S396-M400 WeakPolarHBondContact O-CG 3.33Å; S396-M400 PolarHBondContact O-N 3.18Å; L397-M400 WeakPolarHBondContact O-CB 3.2Å; L397-M400 PolarHBondContact O-N 3.48Å; M400-S404 WeakPolarHBondContact O-CB 3.41Å; M400-S404 PolarHBondContact O-N 3.21Å; M400-L418 HydrophobicContact CE-CB 3.56Å; M400-L418 HydrophobicContact CE-CD1 4.44Å; M400-L418 HydrophobicContact SD-CB 4.34Å; M400-Y422 HydrophobicContact SD-CD2 4.12Å; M400-F434 HydrophobicContact CE-CE1 3.68Å; M400-F434 HydrophobicContact CE-CZ 3.68Å; M400-F434 HydrophobicContact SD-CZ 4.38Å; M400-L443 HydrophobicContact CB-CD1 4.2Å; M400-L443 HydrophobicContact CB-CD2 4.37Å; M400-L443 HydrophobicContact CE-CD2 3.94Å
401C98.3Very high95Very high0 Ų021 Ų210%011%0.114CC..Hα-helixtrans-66-44.1176.6-64.40000111.3L241 L397 R398 L399 L403 S404 I405 L442L241-C401 HydrophobicContact CD1-CB 3.99Å; L241-C401 HydrophobicContact CD2-CB 4.12Å; L397-C401 PolarHBondContact O-N 3.25Å; L397-C401 PolarHBondContact O-SG 3.17Å; R398-C401 PolarHBondContact O-N 3.1Å; L399-C401 VanDerWaalsContact C-N 3.34Å; L399-C401 PolarHBondContact O-N 3.18Å; C401-L403 PolarHBondContact O-N 3Å; C401-S404 WeakPolarHBondContact O-CB 3.49Å; C401-S404 PolarHBondContact O-N 3.43Å; C401-S404 VanDerWaalsContact O-N 3.16Å; C401-I405 VanDerWaalsContact O-CG1 3.32Å; C401-I405 WeakPolarHBondContact O-CG1 3.37Å; C401-I405 PolarHBondContact O-N 2.95Å; C401-L442 VanDerWaalsContact CA-O 3.29Å; C401-L442 WeakPolarHBondContact CA-O 3.43Å; C401-L442 HydrophobicContact CB-CB 4.34Å
402L98Very high95Very high2 Ų220.4 Ų20.41%0.0111%0.112CC..Hα-helixtrans-60.1-48177.7-17662.6000111.1V238 E367 L370 L371 R398 L399 S404 I405 T406V238-L402 HydrophobicContact CG1-CD1 3.95Å; E367-L402 HydrophobicContact CB-CD2 4.32Å; E367-L402 HydrophobicContact CG-CD2 3.53Å; L370-L402 HydrophobicContact CB-CD2 4.26Å; L370-L402 HydrophobicContact CB-CG 4.29Å; L370-L402 HydrophobicContact CD1-CB 4.34Å; L370-L402 HydrophobicContact CD1-CD2 4.04Å; L370-L402 HydrophobicContact CD1-CG 4.13Å; L371-L402 HydrophobicContact CD2-CD1 4.08Å; R398-L402 WeakPolarHBondContact O-CB 3.33Å; R398-L402 PolarHBondContact O-N 2.63Å; L399-L402 PolarHBondContact O-N 3.14Å; L402-S404 VanDerWaalsContact C-N 3.28Å; L402-S404 PolarHBondContact O-N 2.95Å; L402-I405 PolarHBondContact O-N 3.27Å; L402-T406 HydrophobicContact CD1-CG2 4.03Å; L402-T406 HydrophobicContact CG-CG2 4.37Å; L402-T406 WeakPolarHBondContact O-CG2 3.45Å; L402-T406 PolarHBondContact O-N 2.81Å; L402-T406 PolarHBondContact O-OG1 3.32Å; L402-T406 VanDerWaalsContact O-OG1 3.08Å
403L97.3Very high95Very high4 Ų427 Ų272%0.02114%0.137CC..Hα-helixtrans-56.8-42.8174.217364.6000111.6L370 I376 I383 L399 C401 T406 E407 L410L370-L403 HydrophobicContact CD1-CB 4.15Å; L370-L403 HydrophobicContact CD2-CB 4.05Å; L370-L403 HydrophobicContact CD2-CD1 3.48Å; L370-L403 VanDerWaalsContact CD2-CD1 3.48Å; L370-L403 HydrophobicContact CD2-CG 4.32Å; I376-L403 HydrophobicContact CG2-CD1 3.69Å; I383-L403 HydrophobicContact CD1-CB 4.24Å; I383-L403 HydrophobicContact CD1-CD2 4.02Å; L399-L403 WeakPolarHBondContact O-CB 3.39Å; L399-L403 PolarHBondContact O-N 2.74Å; C401-L403 PolarHBondContact O-N 3Å; L403-T406 PolarHBondContact O-OG1 2.96Å; L403-E407 HydrophobicContact CD1-CG 4.04Å; L403-E407 WeakPolarHBondContact O-CB 3.4Å; L403-E407 WeakPolarHBondContact O-CG 3.31Å; L403-E407 PolarHBondContact O-N 3.09Å; L403-L410 HydrophobicContact CB-CD2 4.25Å; L403-L410 HydrophobicContact CD2-CD2 3.64Å; L403-L410 HydrophobicContact CG-CD2 3.48Å; L403-L410 VanDerWaalsContact CG-CD2 3.48Å
404S96.6Very high94.9Very high1 Ų127.4 Ų27.41%0.00714%0.137CC..Hα-helixtrans-63.4-47.1178.5-166.50000111.7M400 C401 L402 E407 N408 G409 L442 T444M400-S404 WeakPolarHBondContact O-CB 3.41Å; M400-S404 PolarHBondContact O-N 3.21Å; C401-S404 WeakPolarHBondContact O-CB 3.49Å; C401-S404 PolarHBondContact O-N 3.43Å; C401-S404 VanDerWaalsContact O-N 3.16Å; L402-S404 VanDerWaalsContact C-N 3.28Å; L402-S404 PolarHBondContact O-N 2.95Å; S404-E407 PolarHBondContact O-N 2.93Å; S404-N408 PolarHBondContact O-N 3.26Å; S404-N408 VanDerWaalsContact O-N 3.13Å; S404-G409 PolarHBondContact O-N 2.95Å; S404-L442 WeakPolarHBondContact CB-O 3.3Å; S404-T444 PolarHBondContact OG-N 3.38Å; S404-T444 PolarHBondContact OG-O 3.3Å
405I95Very high95Very high34 Ų3425.9 Ų25.917%0.17413%0.128CC..Hα-helixtrans-69.4-40.2-177.1-65169.7000111.5F237 V238 L241 C401 L402 E407 L442F237-I405 HydrophobicContact CB-CD1 3.79Å; V238-I405 HydrophobicContact CG2-CB 4.44Å; V238-I405 HydrophobicContact CG2-CG2 3.51Å; L241-I405 HydrophobicContact CD1-CD1 3.49Å; L241-I405 VanDerWaalsContact CD1-CD1 3.49Å; C401-I405 VanDerWaalsContact O-CG1 3.32Å; C401-I405 WeakPolarHBondContact O-CG1 3.37Å; C401-I405 PolarHBondContact O-N 2.95Å; L402-I405 PolarHBondContact O-N 3.27Å; I405-E407 PolarHBondContact O-N 2.86Å; I405-L442 HydrophobicContact CD1-CD2 3.65Å
406T93.9Very high95.1Very high1 Ų130.4 Ų30.41%0.00614%0.143CC..Hα-helixtrans-69.6-24-179.959.70000112.6L370 L402 L403 S482 F484L370-T406 WeakPolarHBondContact O-CB 3.42Å; L370-T406 WeakPolarHBondContact O-CG2 3.4Å; L402-T406 HydrophobicContact CD1-CG2 4.03Å; L402-T406 HydrophobicContact CG-CG2 4.37Å; L402-T406 WeakPolarHBondContact O-CG2 3.45Å; L402-T406 PolarHBondContact O-N 2.81Å; L402-T406 PolarHBondContact O-OG1 3.32Å; L402-T406 VanDerWaalsContact O-OG1 3.08Å; L403-T406 PolarHBondContact O-OG1 2.96Å; T406-S482 WeakPolarHBondContact O-CB 3.49Å; T406-S482 PolarHBondContact O-OG 3.37Å; T406-F484 HydrophobicContact CG2-CD1 3.77Å; T406-F484 HydrophobicContact CG2-CE1 3.87Å; T406-F484 HydrophobicContact CG2-CG 4.38Å
407E91.5Very high95.2Very high40 Ų4032.5 Ų32.519%0.18716%0.157CC..THydrogen-bonded Turntrans-108.811.5-177.6-63.8-64.3119.400114.9I376 L403 S404 I405 Q446I376-E407 HydrophobicContact CD1-CG 4.34Å; I376-E407 HydrophobicContact CG2-CG 4.34Å; L403-E407 HydrophobicContact CD1-CG 4.04Å; L403-E407 WeakPolarHBondContact O-CB 3.4Å; L403-E407 WeakPolarHBondContact O-CG 3.31Å; L403-E407 PolarHBondContact O-N 3.09Å; S404-E407 PolarHBondContact O-N 2.93Å; I405-E407 PolarHBondContact O-N 2.86Å; E407-Q446 PolarHBondContact O-NE2 3.02Å
408N90.9Very high95.2Very high46 Ų4632.3 Ų32.325%0.24616%0.156CC..THydrogen-bonded Turntrans5546.2-175.1-78.95.4000113.2S404 N483S404-N408 PolarHBondContact O-N 3.26Å; S404-N408 VanDerWaalsContact O-N 3.13Å; N408-N483 VanDerWaalsContact CG-N 3.31Å; N408-N483 PolarHBondContact ND2-N 3.44Å; N408-N483 PolarHBondContact ND2-OD1 3.46Å; N408-N483 WeakPolarHBondContact OD1-CB 3.43Å; N408-N483 PolarHBondContact OD1-N 3.11Å
409G92.9Very high95.3Very high2 Ų234.6 Ų34.62%0.02117%0.166CC..SBendtrans97.6161.2-174.400000112.4S404 T444 Q446S404-G409 PolarHBondContact O-N 2.95Å; G409-T444 CarbonylContact C-O 3.56Å; G409-T444 WeakPolarHBondContact CA-O 3.36Å; G409-T444 WeakPolarHBondContact CA-OG1 3.48Å; G409-Q446 VanDerWaalsContact C-CG 3.49Å; G409-Q446 VanDerWaalsContact O-CG 3.25Å; G409-Q446 WeakPolarHBondContact O-CG 3.39Å; G409-Q446 PolarHBondContact O-NE2 2.79Å
410L93.4Very high95.3Very high8 Ų837.9 Ų37.94%0.04219%0.187CC..BIsolated β-bridgetrans-89.2149175.3-57.3-172.2000110.8L403 Y415 L418 L443 T444 E445 Q446L403-L410 HydrophobicContact CB-CD2 4.25Å; L403-L410 HydrophobicContact CD2-CD2 3.64Å; L403-L410 HydrophobicContact CG-CD2 3.48Å; L403-L410 VanDerWaalsContact CG-CD2 3.48Å; L410-Y415 HydrophobicContact CB-CD2 4.29Å; L410-Y415 HydrophobicContact CD1-CD2 4.13Å; L410-Y415 HydrophobicContact CG-CD2 4.49Å; L410-L418 HydrophobicContact CD1-CD1 3.99Å; L410-L443 HydrophobicContact CD1-CD1 3.64Å; L410-L443 HydrophobicContact CG-CD1 4.14Å; L410-T444 PolarHBondContact N-O 3.1Å; L410-E445 CarbonylContact O-C 3.2Å; L410-E445 WeakPolarHBondContact O-CA 3.36Å; L410-Q446 PolarHBondContact O-N 3.02Å
411I91.3Very high95.3Very high68 Ų6839.3 Ų39.335%0.34919%0.194SC..  trans-58.5134.5170.4-62.3173000108K413 D414 Y415I411-K413 HydrophobicContact CG2-CB 4.49Å; I411-K413 PolarHBondContact O-N 2.84Å; I411-D414 HydrophobicContact CB-CB 4.48Å; I411-D414 PolarHBondContact O-N 2.89Å; I411-Y415 PolarHBondContact O-N 3.25Å
412P92.8Very high95.3Very high42 Ų4239.4 Ų39.427%0.27319%0.194SC..Hα-helixtrans-52.9-33.3-173.6-32.336.3000115.2R416 E445P412-R416 WeakPolarHBondContact O-CB 3.27Å; P412-R416 VanDerWaalsContact O-CG 3.22Å; P412-R416 WeakPolarHBondContact O-CG 3.44Å; P412-R416 PolarHBondContact O-N 2.86Å; P412-R416 VanDerWaalsContact O-N 3.16Å; P412-E445 WeakPolarHBondContact CB-OE2 3.43Å
413K93.4Very high95.3Very high161 Ų16140.7 Ų40.770%0.720%0.201SC*.Hα-helixtrans-64.8-50.5174.7-176.1-173.2173.4-168.50111.4I411 R416 S417I411-K413 HydrophobicContact CG2-CB 4.49Å; I411-K413 PolarHBondContact O-N 2.84Å; K413-R416 PolarHBondContact O-N 3.05Å; K413-S417 PolarHBondContact O-N 2.88Å
414D93.1Very high95.3Very high58 Ų5847.9 Ų47.931%0.3123%0.234SC..Hα-helixtrans-69.1-40-176.5-57.7-14.6000110.4I411 R416 S417 L418I411-D414 HydrophobicContact CB-CB 4.48Å; I411-D414 PolarHBondContact O-N 2.89Å; D414-R416 PolarHBondContact O-N 3.26Å; D414-S417 WeakPolarHBondContact O-CB 3.29Å; D414-S417 PolarHBondContact O-N 2.87Å; D414-L418 WeakPolarHBondContact O-CB 3.48Å; D414-L418 WeakPolarHBondContact O-CG 3.3Å; D414-L418 PolarHBondContact O-N 2.63Å
415Y96.4Very high95.4Very high10 Ų1049 Ų494%0.03924%0.242CC..Hα-helixtrans-54.7-50.2172.1-177.6-90.5000111.8L410 I411 S417 K419 L443 E445L410-Y415 HydrophobicContact CB-CD2 4.29Å; L410-Y415 HydrophobicContact CD1-CD2 4.13Å; L410-Y415 HydrophobicContact CG-CD2 4.49Å; I411-Y415 PolarHBondContact O-N 3.25Å; Y415-S417 VanDerWaalsContact C-N 3.35Å; Y415-K419 HydrophobicContact CE1-CD 3.99Å; Y415-K419 WeakPolarHBondContact O-CB 3.08Å; Y415-K419 PolarHBondContact O-N 3.39Å; Y415-L443 HydrophobicContact CD2-CD1 4.42Å; Y415-L443 HydrophobicContact CD2-CG 4.5Å; Y415-L443 HydrophobicContact CE2-CD1 4.31Å; Y415-L443 HydrophobicContact CE2-CG 3.91Å; Y415-E445 HydrophobicContact CD1-CG 3.46Å; Y415-E445 VanDerWaalsContact CD1-CG 3.46Å; Y415-E445 HydrophobicContact CD2-CG 3.84Å; Y415-E445 HydrophobicContact CE1-CG 3.94Å; Y415-E445 HydrophobicContact CE2-CG 4.26Å; Y415-E445 HydrophobicContact CG-CG 3.42Å; Y415-E445 VanDerWaalsContact CG-CG 3.42Å
416R97Very high95.4Very high151 Ų15149 Ų4957%0.5724%0.24SC*.Hα-helixtrans-64.8-39.7178.7-71.2173.1-153157.16.9111.7P412 K413 D414 T420P412-R416 WeakPolarHBondContact O-CB 3.27Å; P412-R416 VanDerWaalsContact O-CG 3.22Å; P412-R416 WeakPolarHBondContact O-CG 3.44Å; P412-R416 PolarHBondContact O-N 2.86Å; P412-R416 VanDerWaalsContact O-N 3.16Å; K413-R416 PolarHBondContact O-N 3.05Å; D414-R416 PolarHBondContact O-N 3.26Å; R416-T420 VanDerWaalsContact O-CB 3.28Å; R416-T420 WeakPolarHBondContact O-CB 3.46Å; R416-T420 PolarHBondContact O-N 2.75Å; R416-T420 PolarHBondContact O-OG1 3.02Å
417S97.4Very high95.5Very high43 Ų4349.5 Ų49.530%0.30125%0.246SC..Hα-helixtrans-60.3-59.6177.4-168.30000110.9K413 D414 Y415 K419 T420 Q421K413-S417 PolarHBondContact O-N 2.88Å; D414-S417 WeakPolarHBondContact O-CB 3.29Å; D414-S417 PolarHBondContact O-N 2.87Å; Y415-S417 VanDerWaalsContact C-N 3.35Å; S417-K419 VanDerWaalsContact C-N 3.34Å; S417-K419 PolarHBondContact O-N 2.9Å; S417-T420 PolarHBondContact O-N 3.5Å; S417-Q421 WeakPolarHBondContact O-CG 3.31Å; S417-Q421 PolarHBondContact O-N 3.38Å; S417-Q421 PolarHBondContact OG-NE2 2.89Å
418L98Very high95.7Very high1 Ų151.9 Ų51.91%0.00526%0.264CS..Hα-helixtrans-60.6-42.5-178.5-70.4170.4000112T380 I383 E384 I387 M400 L410 D414 T420 Q421 Y422T380-L418 HydrophobicContact CG2-CD1 4.37Å; I383-L418 HydrophobicContact CG2-CD2 3.94Å; E384-L418 HydrophobicContact CG-CD2 3.55Å; I387-L418 HydrophobicContact CD1-CD2 4.15Å; M400-L418 HydrophobicContact CE-CB 3.56Å; M400-L418 HydrophobicContact CE-CD1 4.44Å; M400-L418 HydrophobicContact SD-CB 4.34Å; L410-L418 HydrophobicContact CD1-CD1 3.99Å; D414-L418 WeakPolarHBondContact O-CB 3.48Å; D414-L418 WeakPolarHBondContact O-CG 3.3Å; D414-L418 PolarHBondContact O-N 2.63Å; L418-T420 VanDerWaalsContact C-N 3.32Å; L418-T420 PolarHBondContact O-N 3.4Å; L418-Q421 PolarHBondContact O-N 3.41Å; L418-Y422 WeakPolarHBondContact O-CB 3.06Å; L418-Y422 PolarHBondContact O-N 3.18Å
419K98.2Very high95.9Very high54 Ų5454.3 Ų54.324%0.23527%0.274CS..Hα-helixtrans-60-43.3174.7179.5174.6177.9179.90111.7Y415 S417 L423 F434Y415-K419 HydrophobicContact CE1-CD 3.99Å; Y415-K419 WeakPolarHBondContact O-CB 3.08Å; Y415-K419 PolarHBondContact O-N 3.39Å; S417-K419 VanDerWaalsContact C-N 3.34Å; S417-K419 PolarHBondContact O-N 2.9Å; K419-L423 HydrophobicContact CG-CD1 3.85Å; K419-L423 HydrophobicContact CG-CG 4.38Å; K419-L423 WeakPolarHBondContact O-CB 3.3Å; K419-L423 WeakPolarHBondContact O-CG 3.45Å; K419-L423 PolarHBondContact O-N 3.18Å; K419-F434 HydrophobicContact CB-CD1 4.09Å; K419-F434 HydrophobicContact CB-CE1 3.59Å; K419-F434 HydrophobicContact CB-CZ 4.06Å; K419-F434 HydrophobicContact CD-CD1 3.76Å; K419-F434 HydrophobicContact CD-CE1 4.16Å; K419-F434 HydrophobicContact CD-CG 4.15Å; K419-F434 HydrophobicContact CG-CD1 3.7Å; K419-F434 HydrophobicContact CG-CD2 4.43Å; K419-F434 HydrophobicContact CG-CE1 3.62Å; K419-F434 HydrophobicContact CG-CE2 4.4Å; K419-F434 HydrophobicContact CG-CG 4.11Å; K419-F434 HydrophobicContact CG-CZ 4.01Å
420T98.2Very high96Very high70 Ų7055 Ų5543%0.42928%0.277SS..Hα-helixtrans-66.1-48.7-179.3-58.80000110.9R416 S417 L418 Y422 L423 Q424R416-T420 VanDerWaalsContact O-CB 3.28Å; R416-T420 WeakPolarHBondContact O-CB 3.46Å; R416-T420 PolarHBondContact O-N 2.75Å; R416-T420 PolarHBondContact O-OG1 3.02Å; S417-T420 PolarHBondContact O-N 3.5Å; L418-T420 VanDerWaalsContact C-N 3.32Å; L418-T420 PolarHBondContact O-N 3.4Å; T420-Y422 VanDerWaalsContact C-N 3.35Å; T420-Y422 PolarHBondContact O-N 3.06Å; T420-L423 PolarHBondContact O-N 3.48Å; T420-Q424 HydrophobicContact CG2-CG 4.49Å; T420-Q424 WeakPolarHBondContact O-CB 3.39Å; T420-Q424 VanDerWaalsContact O-CG 3.27Å; T420-Q424 WeakPolarHBondContact O-CG 3.36Å; T420-Q424 PolarHBondContact O-N 3.16Å
421Q98.2Very high96.2Very high30 Ų3058.7 Ų58.714%0.1430%0.296CS..Hα-helixtrans-57.8-48.3176.4-66.9172.135.700110.6E384 I387 S417 L418 L423 Q424 S425E384-Q421 PolarHBondContact OE1-NE2 2.95Å; E384-Q421 VanDerWaalsContact OE1-NE2 3.09Å; I387-Q421 HydrophobicContact CG2-CB 4.04Å; S417-Q421 WeakPolarHBondContact O-CG 3.31Å; S417-Q421 PolarHBondContact O-N 3.38Å; S417-Q421 PolarHBondContact OG-NE2 2.89Å; L418-Q421 PolarHBondContact O-N 3.41Å; Q421-L423 PolarHBondContact O-N 3.44Å; Q421-Q424 PolarHBondContact O-N 2.81Å; Q421-S425 WeakPolarHBondContact O-CB 3.29Å; Q421-S425 PolarHBondContact O-N 3.23Å; Q421-S425 PolarHBondContact O-OG 3.41Å
422Y98.3Very high96.4Very high1 Ų160.5 Ų60.50%0.00431%0.306CS..Hα-helixtrans-58-48.2179.2-172.2-75.9000112.3I387 P393 L397 M400 L418 T420 Q424 S425 Y426 H430 F434I387-Y422 HydrophobicContact CD1-CD2 4.32Å; I387-Y422 HydrophobicContact CG1-CD2 4.29Å; P393-Y422 WeakPolarHBondContact CA-OH 3.44Å; P393-Y422 WeakPolarHBondContact CB-OH 3.5Å; P393-Y422 PolarHBondContact O-OH 3.31Å; L397-Y422 HydrophobicContact CD1-CE2 4.34Å; L397-Y422 VanDerWaalsContact CD1-OH 3.29Å; L397-Y422 WeakPolarHBondContact CD1-OH 3.49Å; L397-Y422 HydrophobicContact CD2-CD2 4.03Å; L397-Y422 HydrophobicContact CD2-CE1 4.1Å; L397-Y422 HydrophobicContact CD2-CE2 3.58Å; L397-Y422 HydrophobicContact CD2-CG 4.48Å; L397-Y422 HydrophobicContact CG-CD2 4.36Å; L397-Y422 HydrophobicContact CG-CE1 4.35Å; L397-Y422 HydrophobicContact CG-CE2 3.46Å; L397-Y422 VanDerWaalsContact CG-CE2 3.46Å; L397-Y422 VanDerWaalsContact CG-CZ 3.47Å; L397-Y422 WeakPolarHBondContact CG-OH 3.37Å; M400-Y422 HydrophobicContact SD-CD2 4.12Å; L418-Y422 WeakPolarHBondContact O-CB 3.06Å; L418-Y422 PolarHBondContact O-N 3.18Å; T420-Y422 VanDerWaalsContact C-N 3.35Å; T420-Y422 PolarHBondContact O-N 3.06Å; Y422-Q424 VanDerWaalsContact C-N 3.31Å; Y422-Q424 PolarHBondContact O-N 3.34Å; Y422-S425 PolarHBondContact O-N 2.87Å; Y422-Y426 AromaticContact CD1-CD2 3.95Å; Y422-Y426 HydrophobicContact CD1-CD2 3.95Å; Y422-Y426 AromaticContact CD2-CD2 3.54Å; Y422-Y426 HydrophobicContact CD2-CD2 3.54Å; Y422-Y426 AromaticContact CD2-CE2 3.76Å; Y422-Y426 HydrophobicContact CD2-CE2 3.76Å; Y422-Y426 AromaticContact CE1-CD2 3.81Å; Y422-Y426 HydrophobicContact CE1-CD2 3.81Å; Y422-Y426 HydrophobicContact CE1-CG 4.26Å; Y422-Y426 AromaticContact CE2-CD2 3.37Å; Y422-Y426 HydrophobicContact CE2-CD2 3.37Å; Y422-Y426 AromaticContact CE2-CE2 3.62Å; Y422-Y426 HydrophobicContact CE2-CE2 3.62Å; Y422-Y426 HydrophobicContact CE2-CG 4.34Å; Y422-Y426 AromaticContact CG-CD2 3.81Å; Y422-Y426 HydrophobicContact CG-CD2 3.81Å; Y422-Y426 HydrophobicContact CG-CE2 4.41Å; Y422-Y426 AromaticContact CZ-CD2 3.51Å; Y422-Y426 WeakPolarHBondContact O-CD2 3.06Å; Y422-Y426 PolarHBondContact O-N 2.95Å; Y422-H430 HydrophobicContact CD1-CB 4.29Å; Y422-H430 HydrophobicContact CE1-CB 3.77Å; Y422-H430 AromaticContact CE1-CD2 3.68Å; Y422-H430 AromaticContact CE1-CG 3.65Å; Y422-F434 AromaticContact CD1-CE2 3.53Å; Y422-F434 HydrophobicContact CD1-CE2 3.53Å; Y422-F434 HydrophobicContact CD1-CZ 4.15Å; Y422-F434 HydrophobicContact CE1-CE2 4.13Å; Y422-F434 AromaticContact CG-CE2 3.87Å; Y422-F434 HydrophobicContact CG-CE2 3.87Å; Y422-F434 AromaticContact CG-CZ 4Å; Y422-F434 HydrophobicContact CG-CZ 4Å
423L97.7Very high96.6Very high30 Ų3058.5 Ų58.516%0.15729%0.293CS..Hα-helixtrans-67.1-32.8-179.4-67171.2000112.4K419 T420 Q421 G427 H430 L431 F434K419-L423 HydrophobicContact CG-CD1 3.85Å; K419-L423 HydrophobicContact CG-CG 4.38Å; K419-L423 WeakPolarHBondContact O-CB 3.3Å; K419-L423 WeakPolarHBondContact O-CG 3.45Å; K419-L423 PolarHBondContact O-N 3.18Å; T420-L423 PolarHBondContact O-N 3.48Å; Q421-L423 PolarHBondContact O-N 3.44Å; L423-G427 CarbonylContact O-C 3.51Å; L423-G427 VanDerWaalsContact O-CA 3.27Å; L423-G427 WeakPolarHBondContact O-CA 3.5Å; L423-G427 PolarHBondContact O-N 3.09Å; L423-H430 HydrophobicContact CD2-CB 3.84Å; L423-L431 HydrophobicContact CD1-CD2 3.5Å; L423-L431 HydrophobicContact CD1-CG 3.97Å; L423-L431 HydrophobicContact CD2-CD2 4.37Å; L423-L431 HydrophobicContact CD2-CG 4.06Å; L423-F434 HydrophobicContact CD2-CD2 4.42Å
424Q97.4Very high96.8Very high154 Ų15450.9 Ų50.972%0.7226%0.26SS*.Hα-helixtrans-71.4-37.3175.1-72.9173.8-10.800111.8T420 Q421 Y422T420-Q424 HydrophobicContact CG2-CG 4.49Å; T420-Q424 WeakPolarHBondContact O-CB 3.39Å; T420-Q424 VanDerWaalsContact O-CG 3.27Å; T420-Q424 WeakPolarHBondContact O-CG 3.36Å; T420-Q424 PolarHBondContact O-N 3.16Å; Q421-Q424 PolarHBondContact O-N 2.81Å; Y422-Q424 VanDerWaalsContact C-N 3.31Å; Y422-Q424 PolarHBondContact O-N 3.34Å
425S97.7Very high96.9Very high24 Ų2451.5 Ų51.517%0.16827%0.269CS..Hα-helixtrans-78.5-40.5-179.6-690000113.5I387 Q390 Q421 Y422I387-S425 PolarHBondContact O-OG 2.94Å; Q390-S425 PolarHBondContact NE2-O 2.8Å; Q421-S425 WeakPolarHBondContact O-CB 3.29Å; Q421-S425 PolarHBondContact O-N 3.23Å; Q421-S425 PolarHBondContact O-OG 3.41Å; Y422-S425 PolarHBondContact O-N 2.87Å
426Y96.3Very high97Very high34 Ų3451.5 Ų51.513%0.13327%0.27CS..Hα-helixtrans-115.2-7.9-170.1-58.6-65.5000114.7H386 I387 Q390 S392 P393 S396 Y422H386-Y426 PolarHBondContact O-OH 3.01Å; I387-Y426 HydrophobicContact CB-CE2 4.39Å; I387-Y426 HydrophobicContact CG1-CE2 4.28Å; I387-Y426 HydrophobicContact CG2-CE2 4.07Å; Q390-Y426 WeakPolarHBondContact CA-OH 3.33Å; Q390-Y426 HydrophobicContact CB-CE1 4.11Å; Q390-Y426 HydrophobicContact CG-CE1 4.34Å; S392-Y426 PolarHBondContact O-OH 2.69Å; P393-Y426 HydrophobicContact CB-CD1 3.8Å; P393-Y426 HydrophobicContact CB-CD2 4.34Å; P393-Y426 HydrophobicContact CB-CE1 4.03Å; P393-Y426 HydrophobicContact CB-CG 3.95Å; P393-Y426 HydrophobicContact CG-CD1 4.32Å; P393-Y426 HydrophobicContact CG-CE1 4.43Å; S396-Y426 PolarHBondContact OG-OH 3.1Å; S396-Y426 VanDerWaalsContact OG-OH 3.12Å; Y422-Y426 AromaticContact CD1-CD2 3.95Å; Y422-Y426 HydrophobicContact CD1-CD2 3.95Å; Y422-Y426 AromaticContact CD2-CD2 3.54Å; Y422-Y426 HydrophobicContact CD2-CD2 3.54Å; Y422-Y426 AromaticContact CD2-CE2 3.76Å; Y422-Y426 HydrophobicContact CD2-CE2 3.76Å; Y422-Y426 AromaticContact CE1-CD2 3.81Å; Y422-Y426 HydrophobicContact CE1-CD2 3.81Å; Y422-Y426 HydrophobicContact CE1-CG 4.26Å; Y422-Y426 AromaticContact CE2-CD2 3.37Å; Y422-Y426 HydrophobicContact CE2-CD2 3.37Å; Y422-Y426 AromaticContact CE2-CE2 3.62Å; Y422-Y426 HydrophobicContact CE2-CE2 3.62Å; Y422-Y426 HydrophobicContact CE2-CG 4.34Å; Y422-Y426 AromaticContact CG-CD2 3.81Å; Y422-Y426 HydrophobicContact CG-CD2 3.81Å; Y422-Y426 HydrophobicContact CG-CE2 4.41Å; Y422-Y426 AromaticContact CZ-CD2 3.51Å; Y422-Y426 WeakPolarHBondContact O-CD2 3.06Å; Y422-Y426 PolarHBondContact O-N 2.95Å
427G95.4Very high97Very high13 Ų1344.3 Ų44.313%0.13424%0.242CC..  trans115.1148.8172.600000114.7L423 E429 H430L423-G427 CarbonylContact O-C 3.51Å; L423-G427 VanDerWaalsContact O-CA 3.27Å; L423-G427 WeakPolarHBondContact O-CA 3.5Å; L423-G427 PolarHBondContact O-N 3.09Å; G427-E429 VanDerWaalsContact C-N 3.26Å; G427-E429 WeakPolarHBondContact CA-OE2 3.47Å; G427-E429 PolarHBondContact O-N 3.25Å; G427-H430 PolarHBondContact O-N 3.17Å
428P96Very high97Very high89 Ų8949.1 Ų49.158%0.57825%0.254SS*.THydrogen-bonded Turntrans-67.5-19.8-178.528.7-36.7000114.2H430 L431P428-H430 PolarHBondContact O-N 3.4Å; P428-L431 VanDerWaalsContact O-CB 3.25Å; P428-L431 WeakPolarHBondContact O-CB 3.2Å; P428-L431 WeakPolarHBondContact O-CD1 3.26Å; P428-L431 VanDerWaalsContact O-CG 3.23Å; P428-L431 WeakPolarHBondContact O-CG 3.16Å; P428-L431 PolarHBondContact O-N 3.34Å
429E93.8Very high96.8Very high97 Ų9755.8 Ų55.845%0.45328%0.279SS..THydrogen-bonded Turntrans-57.3-27.1176.357.1-92.8-138.900112.9G427 L431 L432 V615G427-E429 VanDerWaalsContact C-N 3.26Å; G427-E429 WeakPolarHBondContact CA-OE2 3.47Å; G427-E429 PolarHBondContact O-N 3.25Å; E429-L431 PolarHBondContact O-N 3.43Å; E429-L431 VanDerWaalsContact O-N 3.15Å; E429-L432 PolarHBondContact O-N 3.1Å; E429-V615 HydrophobicContact CB-CG2 3.84Å; E429-V615 HydrophobicContact CG-CB 4.41Å; E429-V615 HydrophobicContact CG-CG1 4.15Å; E429-V615 HydrophobicContact CG-CG2 3.35Å
430H96.4Very high96.7Very high16 Ų1654 Ų547%0.07428%0.275CS..Hα-helixtrans-70.2-3174.4-71.7-65.3000113.9Y422 L423 G427 P428 L432 T433 F434Y422-H430 HydrophobicContact CD1-CB 4.29Å; Y422-H430 HydrophobicContact CE1-CB 3.77Å; Y422-H430 AromaticContact CE1-CD2 3.68Å; Y422-H430 AromaticContact CE1-CG 3.65Å; L423-H430 HydrophobicContact CD2-CB 3.84Å; G427-H430 PolarHBondContact O-N 3.17Å; P428-H430 PolarHBondContact O-N 3.4Å; H430-L432 PolarHBondContact O-N 2.78Å; H430-T433 PolarHBondContact ND1-OG1 3.42Å; H430-T433 WeakPolarHBondContact O-CA 3.46Å; H430-T433 VanDerWaalsContact O-CB 3.31Å; H430-T433 WeakPolarHBondContact O-CB 3.5Å; H430-T433 PolarHBondContact O-N 3.07Å; H430-F434 WeakPolarHBondContact O-CD2 3.4Å; H430-F434 PolarHBondContact O-N 3.44Å
431L96.4Very high96.5Very high86 Ų8652.6 Ų52.645%0.4527%0.274SS..Hα-helixtrans-54-39169.2-81.6169.4000111.9L423 P428 E429 S435L423-L431 HydrophobicContact CD1-CD2 3.5Å; L423-L431 HydrophobicContact CD1-CG 3.97Å; L423-L431 HydrophobicContact CD2-CD2 4.37Å; L423-L431 HydrophobicContact CD2-CG 4.06Å; P428-L431 VanDerWaalsContact O-CB 3.25Å; P428-L431 WeakPolarHBondContact O-CB 3.2Å; P428-L431 WeakPolarHBondContact O-CD1 3.26Å; P428-L431 VanDerWaalsContact O-CG 3.23Å; P428-L431 WeakPolarHBondContact O-CG 3.16Å; P428-L431 PolarHBondContact O-N 3.34Å; E429-L431 PolarHBondContact O-N 3.43Å; E429-L431 VanDerWaalsContact O-N 3.15Å; L431-S435 PolarHBondContact O-N 2.84Å; L431-S435 VanDerWaalsContact O-N 3.09Å
432L95.9Very high96.4Very high106 Ų10651.2 Ų51.256%0.55527%0.267SS*.Hα-helixtrans-69.8-39175.3-62.1178.6000111.5E429 H430 F434 S435 N436 E614E429-L432 PolarHBondContact O-N 3.1Å; H430-L432 PolarHBondContact O-N 2.78Å; L432-F434 PolarHBondContact O-N 2.96Å; L432-S435 WeakPolarHBondContact O-CB 3.33Å; L432-S435 PolarHBondContact O-N 2.97Å; L432-S435 VanDerWaalsContact O-N 3.13Å; L432-N436 PolarHBondContact O-N 2.93Å; L432-E614 HydrophobicContact CB-CB 4.23Å; L432-E614 HydrophobicContact CB-CG 3.72Å; L432-E614 HydrophobicContact CD1-CB 4.29Å; L432-E614 HydrophobicContact CD1-CG 4.11Å
433T96.9Very high96.3Very high0 Ų051.1 Ų51.10%027%0.267CS..Hα-helixtrans-57-47.7172.8-51.20000111.2L397 H430 S435 N436 L437L397-T433 HydrophobicContact CD1-CG2 3.78Å; H430-T433 PolarHBondContact ND1-OG1 3.42Å; H430-T433 WeakPolarHBondContact O-CA 3.46Å; H430-T433 VanDerWaalsContact O-CB 3.31Å; H430-T433 WeakPolarHBondContact O-CB 3.5Å; H430-T433 PolarHBondContact O-N 3.07Å; T433-S435 VanDerWaalsContact C-N 3.3Å; T433-S435 PolarHBondContact O-N 3.4Å; T433-N436 WeakPolarHBondContact O-CB 3.38Å; T433-N436 PolarHBondContact O-N 3.08Å; T433-N436 VanDerWaalsContact O-N 3.17Å; T433-L437 HydrophobicContact CG2-CD1 4.1Å; T433-L437 HydrophobicContact CG2-CG 4.41Å; T433-L437 VanDerWaalsContact O-CG 3.32Å; T433-L437 WeakPolarHBondContact O-CG 3.21Å; T433-L437 PolarHBondContact O-N 3.04Å
434F97.4Very high96.2Very high1 Ų151.5 Ų51.50%0.00427%0.27CS..Hα-helixtrans-62.5-36.6175.8-87.1-99.1000112.6L397 M400 K419 Y422 L423 H430 L432 N436 R438 L443L397-F434 HydrophobicContact CD2-CE2 3.99Å; L397-F434 HydrophobicContact CD2-CZ 4.18Å; M400-F434 HydrophobicContact CE-CE1 3.68Å; M400-F434 HydrophobicContact CE-CZ 3.68Å; M400-F434 HydrophobicContact SD-CZ 4.38Å; K419-F434 HydrophobicContact CB-CD1 4.09Å; K419-F434 HydrophobicContact CB-CE1 3.59Å; K419-F434 HydrophobicContact CB-CZ 4.06Å; K419-F434 HydrophobicContact CD-CD1 3.76Å; K419-F434 HydrophobicContact CD-CE1 4.16Å; K419-F434 HydrophobicContact CD-CG 4.15Å; K419-F434 HydrophobicContact CG-CD1 3.7Å; K419-F434 HydrophobicContact CG-CD2 4.43Å; K419-F434 HydrophobicContact CG-CE1 3.62Å; K419-F434 HydrophobicContact CG-CE2 4.4Å; K419-F434 HydrophobicContact CG-CG 4.11Å; K419-F434 HydrophobicContact CG-CZ 4.01Å; Y422-F434 AromaticContact CD1-CE2 3.53Å; Y422-F434 HydrophobicContact CD1-CE2 3.53Å; Y422-F434 HydrophobicContact CD1-CZ 4.15Å; Y422-F434 HydrophobicContact CE1-CE2 4.13Å; Y422-F434 AromaticContact CG-CE2 3.87Å; Y422-F434 HydrophobicContact CG-CE2 3.87Å; Y422-F434 AromaticContact CG-CZ 4Å; Y422-F434 HydrophobicContact CG-CZ 4Å; L423-F434 HydrophobicContact CD2-CD2 4.42Å; H430-F434 WeakPolarHBondContact O-CD2 3.4Å; H430-F434 PolarHBondContact O-N 3.44Å; L432-F434 PolarHBondContact O-N 2.96Å; F434-N436 VanDerWaalsContact C-N 3.35Å; F434-R438 WeakPolarHBondContact O-CB 3.34Å; F434-R438 PolarHBondContact O-N 2.96Å; F434-L443 HydrophobicContact CD1-CD2 3.75Å; F434-L443 HydrophobicContact CE1-CD2 3.53Å; F434-L443 HydrophobicContact CZ-CD2 4.32Å
435S96.8Very high96Very high71 Ų7146.8 Ų46.850%0.49725%0.249SC..Hα-helixtrans-62.5-44.1174.1-1720000111.3L431 L432 T433 R438 R439L431-S435 PolarHBondContact O-N 2.84Å; L431-S435 VanDerWaalsContact O-N 3.09Å; L432-S435 WeakPolarHBondContact O-CB 3.33Å; L432-S435 PolarHBondContact O-N 2.97Å; L432-S435 VanDerWaalsContact O-N 3.13Å; T433-S435 VanDerWaalsContact C-N 3.3Å; T433-S435 PolarHBondContact O-N 3.4Å; S435-R438 PolarHBondContact O-N 3.07Å; S435-R439 WeakPolarHBondContact O-CB 3.28Å; S435-R439 PolarHBondContact O-N 3.28Å
436N97.6Very high95.6Very high10 Ų1047.3 Ų47.35%0.05325%0.248CC..Hα-helixtrans-64.3-47.4177.3-75.1-20.7000112.1L166 L432 T433 F434 R438 R439 A440 M612 E614L166-N436 HydrophobicContact CD1-CB 3.73Å; L166-N436 WeakPolarHBondContact CD1-O 3.42Å; L166-N436 HydrophobicContact CD2-CB 3.94Å; L166-N436 HydrophobicContact CG-CB 4.48Å; L432-N436 PolarHBondContact O-N 2.93Å; T433-N436 WeakPolarHBondContact O-CB 3.38Å; T433-N436 PolarHBondContact O-N 3.08Å; T433-N436 VanDerWaalsContact O-N 3.17Å; F434-N436 VanDerWaalsContact C-N 3.35Å; N436-R438 VanDerWaalsContact C-N 3.31Å; N436-R438 PolarHBondContact O-N 2.86Å; N436-R439 PolarHBondContact O-N 3.28Å; N436-R439 VanDerWaalsContact O-N 3.15Å; N436-R439 PolarHBondContact OD1-NH2 3.13Å; N436-A440 WeakPolarHBondContact O-CB 3.49Å; N436-A440 PolarHBondContact O-N 3.47Å; N436-M612 WeakPolarHBondContact CB-O 3.34Å; N436-M612 PolarHBondContact ND2-O 2.81Å; N436-E614 PolarHBondContact ND2-OE1 3.47Å
437L97.4Very high94.6Very high0 Ų048 Ų480%026%0.261CS..Hα-helixtrans-60.7-40.3178.1-68.3170.5000112.2L397 T433 A440 G441 L442 L443 M609 M612L397-L437 HydrophobicContact CD2-CD1 3.91Å; T433-L437 HydrophobicContact CG2-CD1 4.1Å; T433-L437 HydrophobicContact CG2-CG 4.41Å; T433-L437 VanDerWaalsContact O-CG 3.32Å; T433-L437 WeakPolarHBondContact O-CG 3.21Å; T433-L437 PolarHBondContact O-N 3.04Å; L437-A440 PolarHBondContact O-N 3.46Å; L437-G441 PolarHBondContact O-N 3.11Å; L437-L442 HydrophobicContact CD2-CB 4.07Å; L437-L442 HydrophobicContact CD2-CD1 3.78Å; L437-L442 PolarHBondContact O-N 2.87Å; L437-L443 HydrophobicContact CB-CB 3.82Å; L437-L443 HydrophobicContact CD1-CB 4.48Å; L437-L443 HydrophobicContact CD1-CD2 4.08Å; L437-L443 PolarHBondContact O-N 3.08Å; L437-M609 HydrophobicContact CD2-CE 4.29Å; L437-M609 HydrophobicContact CD2-SD 4.4Å; L437-M612 HydrophobicContact CD2-CB 3.71Å; L437-M612 HydrophobicContact CD2-CG 3.7Å; L437-M612 HydrophobicContact CG-CB 4.24Å
438R96Very high93Very high145 Ų14554.1 Ų54.155%0.54730%0.298SS..Hα-helixtrans-64.8-44.2174.1-176.1-178.1178.4175.24.2111.7F434 S435 N436 A440 G441 L443F434-R438 WeakPolarHBondContact O-CB 3.34Å; F434-R438 PolarHBondContact O-N 2.96Å; S435-R438 PolarHBondContact O-N 3.07Å; N436-R438 VanDerWaalsContact C-N 3.31Å; N436-R438 PolarHBondContact O-N 2.86Å; R438-A440 VanDerWaalsContact C-N 3.31Å; R438-A440 PolarHBondContact O-N 3.23Å; R438-G441 PolarHBondContact O-N 3.41Å; R438-G441 VanDerWaalsContact O-N 3.11Å; R438-L443 VanDerWaalsContact CA-O 3.29Å; R438-L443 WeakPolarHBondContact CA-O 3.47Å
439R95.4Very high91.2Very high141 Ų14152.7 Ų52.753%0.53230%0.3SS..Hα-helixtrans-61.6-38.8178.2178.9169.958.9165.2-3.9112L166 S435 N436 G441L166-R439 HydrophobicContact CD1-CB 4.33Å; L166-R439 HydrophobicContact CD1-CG 4.41Å; L166-R439 PolarHBondContact O-NE 3.26Å; L166-R439 VanDerWaalsContact O-NE 3.17Å; L166-R439 PolarHBondContact O-NH1 3.11Å; S435-R439 WeakPolarHBondContact O-CB 3.28Å; S435-R439 PolarHBondContact O-N 3.28Å; N436-R439 PolarHBondContact O-N 3.28Å; N436-R439 VanDerWaalsContact O-N 3.15Å; N436-R439 PolarHBondContact OD1-NH2 3.13Å; R439-G441 VanDerWaalsContact C-N 3.26Å; R439-G441 PolarHBondContact O-N 2.71Å
440A94.9Very high89.2Confident17 Ų1752.7 Ų52.714%0.1430%0.303CS..THydrogen-bonded Turntrans-79.1-2.6176.400000114.1L166 N436 L437 R438 L442 M612L166-A440 HydrophobicContact CD1-CB 4.35Å; N436-A440 WeakPolarHBondContact O-CB 3.49Å; N436-A440 PolarHBondContact O-N 3.47Å; L437-A440 PolarHBondContact O-N 3.46Å; R438-A440 VanDerWaalsContact C-N 3.31Å; R438-A440 PolarHBondContact O-N 3.23Å; A440-L442 HydrophobicContact CB-CD1 4.3Å; A440-L442 HydrophobicContact CB-CG 4.3Å; A440-L442 PolarHBondContact O-N 3.11Å; A440-M612 HydrophobicContact CB-CE 3.5Å; A440-M612 HydrophobicContact CB-SD 4.04Å
441G93.8Very high86.8Confident40 Ų4055.1 Ų55.141%0.41232%0.319SS..THydrogen-bonded Turntrans74.25.6-178.300000115.3L437 R438 R439L437-G441 PolarHBondContact O-N 3.11Å; R438-G441 PolarHBondContact O-N 3.41Å; R438-G441 VanDerWaalsContact O-N 3.11Å; R439-G441 VanDerWaalsContact C-N 3.26Å; R439-G441 PolarHBondContact O-N 2.71Å
442L96.4Very high84.2Confident0 Ų056.3 Ų56.30%033%0.325CS..SBendtrans-75.2-32.1-178.6-72.6172.6000113.2F237 L241 C401 S404 I405 L437 A440 M609 M612F237-L442 HydrophobicContact CB-CD2 3.67Å; F237-L442 HydrophobicContact CD1-CD2 3.78Å; F237-L442 HydrophobicContact CD2-CD2 3.52Å; F237-L442 HydrophobicContact CD2-CG 4.36Å; F237-L442 HydrophobicContact CE1-CD2 4.23Å; F237-L442 HydrophobicContact CE2-CD2 3.99Å; F237-L442 HydrophobicContact CE2-CG 4.37Å; F237-L442 HydrophobicContact CG-CD2 3.39Å; F237-L442 HydrophobicContact CZ-CD2 4.32Å; L241-L442 HydrophobicContact CD1-CD2 4.35Å; C401-L442 VanDerWaalsContact CA-O 3.29Å; C401-L442 WeakPolarHBondContact CA-O 3.43Å; C401-L442 HydrophobicContact CB-CB 4.34Å; S404-L442 WeakPolarHBondContact CB-O 3.3Å; I405-L442 HydrophobicContact CD1-CD2 3.65Å; L437-L442 HydrophobicContact CD2-CB 4.07Å; L437-L442 HydrophobicContact CD2-CD1 3.78Å; L437-L442 PolarHBondContact O-N 2.87Å; A440-L442 HydrophobicContact CB-CD1 4.3Å; A440-L442 HydrophobicContact CB-CG 4.3Å; A440-L442 PolarHBondContact O-N 3.11Å; L442-M609 HydrophobicContact CD1-CE 4.17Å; L442-M612 HydrophobicContact CD1-CE 3.43Å; L442-M612 VanDerWaalsContact CD1-CE 3.43Å; L442-M612 HydrophobicContact CD1-CG 4.08Å; L442-M612 HydrophobicContact CD1-SD 4.25Å
443L97.3Very high81.6Confident0 Ų054.2 Ų54.20%032%0.317CS..SBendtrans-141.899.4-178.4-176.657000110.3M400 L410 Y415 F434 L437 R438M400-L443 HydrophobicContact CB-CD1 4.2Å; M400-L443 HydrophobicContact CB-CD2 4.37Å; M400-L443 HydrophobicContact CE-CD2 3.94Å; L410-L443 HydrophobicContact CD1-CD1 3.64Å; L410-L443 HydrophobicContact CG-CD1 4.14Å; Y415-L443 HydrophobicContact CD2-CD1 4.42Å; Y415-L443 HydrophobicContact CD2-CG 4.5Å; Y415-L443 HydrophobicContact CE2-CD1 4.31Å; Y415-L443 HydrophobicContact CE2-CG 3.91Å; F434-L443 HydrophobicContact CD1-CD2 3.75Å; F434-L443 HydrophobicContact CE1-CD2 3.53Å; F434-L443 HydrophobicContact CZ-CD2 4.32Å; L437-L443 HydrophobicContact CB-CB 3.82Å; L437-L443 HydrophobicContact CD1-CB 4.48Å; L437-L443 HydrophobicContact CD1-CD2 4.08Å; L437-L443 PolarHBondContact O-N 3.08Å; R438-L443 VanDerWaalsContact CA-O 3.29Å; R438-L443 WeakPolarHBondContact CA-O 3.47Å
444T95.2Very high78.7Confident37 Ų3757.4 Ų57.423%0.22734%0.343CS..  trans-126.7161.5-172.160.10000112.2S404 G409 L410S404-T444 PolarHBondContact OG-N 3.38Å; S404-T444 PolarHBondContact OG-O 3.3Å; G409-T444 CarbonylContact C-O 3.56Å; G409-T444 WeakPolarHBondContact CA-O 3.36Å; G409-T444 WeakPolarHBondContact CA-OG1 3.48Å; L410-T444 PolarHBondContact N-O 3.1Å
445E93.4Very high76Confident56 Ų5660.7 Ų60.726%0.26236%0.363SS..BIsolated β-bridgetrans-87.9141.9166.2-69.2177.7-11400108.9L410 P412 Y415 A447L410-E445 CarbonylContact O-C 3.2Å; L410-E445 WeakPolarHBondContact O-CA 3.36Å; P412-E445 WeakPolarHBondContact CB-OE2 3.43Å; Y415-E445 HydrophobicContact CD1-CG 3.46Å; Y415-E445 VanDerWaalsContact CD1-CG 3.46Å; Y415-E445 HydrophobicContact CD2-CG 3.84Å; Y415-E445 HydrophobicContact CE1-CG 3.94Å; Y415-E445 HydrophobicContact CE2-CG 4.26Å; Y415-E445 HydrophobicContact CG-CG 3.42Å; Y415-E445 VanDerWaalsContact CG-CG 3.42Å; E445-A447 PolarHBondContact O-N 2.74Å
446Q88.6Confident73.2Confident34 Ų3463.2 Ų63.216%0.15937%0.367CS..PPolyproline II helixtrans-60.3129.6172.5-69.5178.2-4.700110.2E407 G409 L410E407-Q446 PolarHBondContact O-NE2 3.02Å; G409-Q446 VanDerWaalsContact C-CG 3.49Å; G409-Q446 VanDerWaalsContact O-CG 3.25Å; G409-Q446 WeakPolarHBondContact O-CG 3.39Å; G409-Q446 PolarHBondContact O-NE2 2.79Å; L410-Q446 PolarHBondContact O-N 3.02Å
447A75.2Confident70.4Confident48 Ų4868 Ų6840%0.39740%0.401SS..PPolyproline II helixtrans-77.1149.8177.100000111.4E445 G449 D450E445-A447 PolarHBondContact O-N 2.74Å; A447-G449 PolarHBondContact O-N 3.02Å; A447-D450 WeakPolarHBondContact CB-OD2 3.33Å; A447-D450 PolarHBondContact O-N 3.47Å
448P62.5Low67.4Low142 Ų14276.3 Ų76.392%0.92244%0.438SS*.THydrogen-bonded Turntrans-62.2111.7172.2-1528000110
449G58Low64.7Low59 Ų5972.9 Ų72.961%0.60843%0.433SS*.THydrogen-bonded Turntrans116.4-17-17900000115.3A447 T451A447-G449 PolarHBondContact O-N 3.02Å; G449-T451 PolarHBondContact O-N 3.44Å
450D51.3Low61.9Low98 Ų9870.8 Ų70.852%0.52444%0.44SS..  trans-74.1-9.4175.5-77-24.5000113.1A447 L452A447-D450 WeakPolarHBondContact CB-OD2 3.33Å; A447-D450 PolarHBondContact O-N 3.47Å; D450-L452 VanDerWaalsContact C-N 3.28Å; D450-L452 PolarHBondContact O-N 2.85Å
451T46Very low59.2Low67 Ų6779.5 Ų79.541%0.41147%0.474SS..  trans-72.483.1163.149.30000109.4G449 T453G449-T451 PolarHBondContact O-N 3.44Å; T451-T453 PolarHBondContact O-N 3.45Å
452L41.8Very low56.8Low110 Ų11084.6 Ų84.658%0.57649%0.491SS*.  trans-64.379.2163.6-79.4165.7000109.6D450 A454D450-L452 VanDerWaalsContact C-N 3.28Å; D450-L452 PolarHBondContact O-N 2.85Å; L452-A454 PolarHBondContact O-N 3.23Å
453T40.8Very low54.3Low62 Ų6289.2 Ų89.238%0.3852%0.519SS..  trans-75.173.8167.446.80000109.8T451 V455 E456T451-T453 PolarHBondContact O-N 3.45Å; T453-V455 PolarHBondContact O-N 3.37Å; T453-E456 VanDerWaalsContact CB-OE2 3.26Å; T453-E456 WeakPolarHBondContact CB-OE2 3.33Å; T453-E456 HydrophobicContact CG2-CG 4.15Å; T453-E456 WeakPolarHBondContact CG2-OE2 3.46Å; T453-E456 PolarHBondContact OG1-OE2 3.26Å
454A37.2Very low52Low67 Ų6795.3 Ų95.355%0.55456%0.556SS**THydrogen-bonded Turntrans-72.411.8172.400000113.9L452L452-A454 PolarHBondContact O-N 3.23Å
455V40Very low49.6Very low70 Ų7099.9 Ų99.942%0.42458%0.58SS.*THydrogen-bonded Turntrans-129.1-8.6-176.1-172.20000113.9T453 S457 V459T453-V455 PolarHBondContact O-N 3.37Å; V455-S457 PolarHBondContact O-N 2.81Å; V455-V459 HydrophobicContact CG1-CG2 3.9Å
456E38.3Very low47.5Very low124 Ų124107.7 Ų107.758%0.57961%0.613SS**Hα-helixtrans-70.2-16.8-179.5-80.8179.915000114.1T453 S460T453-E456 VanDerWaalsContact CB-OE2 3.26Å; T453-E456 WeakPolarHBondContact CB-OE2 3.33Å; T453-E456 HydrophobicContact CG2-CG 4.15Å; T453-E456 WeakPolarHBondContact CG2-OE2 3.46Å; T453-E456 PolarHBondContact OG1-OE2 3.26Å; E456-S460 PolarHBondContact O-OG 2.96Å
457S38.1Very low45.5Very low110 Ų110109.1 Ų109.177%0.76963%0.63SS**Hα-helixtrans-84.8-11.5-177.565.70000115.3V455V455-S457 PolarHBondContact O-N 2.81Å
458K35.4Very low44.1Very low176 Ų176108.7 Ų108.777%0.76563%0.627SS**Hα-helixtrans-118.8-21.4-179.2-80.9-173.3176.3-179.30116.1
459V39.4Very low43.4Very low73 Ų73104.4 Ų104.444%0.44261%0.608SS.*Hα-helixtrans-100.8-22.6-175.1-173.70000113.2V455 K461 L462V455-V459 HydrophobicContact CG1-CG2 3.9Å; V459-K461 PolarHBondContact O-N 3.22Å; V459-L462 PolarHBondContact O-N 2.83Å
460S35.6Very low42.9Very low97 Ų97110.7 Ų110.768%0.67862%0.619SS**THydrogen-bonded Turntrans-64.7-4.6177.7-47.90000114.5E456E456-S460 PolarHBondContact O-OG 2.96Å
461K39.6Very low42.5Very low200 Ų200110.8 Ų110.887%0.8762%0.618SS**THydrogen-bonded Turntrans-98.6-1.7173.6-83.2-174.4175.3-179.60114.7V459V459-K461 PolarHBondContact O-N 3.22Å
462L43.4Very low42.5Very low147 Ų147111.1 Ų111.177%0.7762%0.62SS**SBendtrans-125.33.1-168.8-85.7161.3000116.2V459V459-L462 PolarHBondContact O-N 2.83Å
463V43.8Very low42.7Very low97 Ų97109 Ų10959%0.58861%0.61SS**  trans-127.787.1177.4-169.10000110.3
464T47.7Very low42.7Very low127 Ų127108.7 Ų108.778%0.77961%0.613SS**  trans-85143.6153.5450000109
465D46.4Very low42.7Very low134 Ų134111.5 Ų111.572%0.71761%0.613SS**SBendtrans89.3111.6169.1-60.5-31.9000119.5A467D465-A467 PolarHBondContact O-N 2.8Å
466K48.8Very low43.1Very low220 Ų220110.7 Ų110.796%0.95761%0.611SS**SBendtrans36.5-5.6142.7-77.6-179.9175.7176.10122.6
467A46.8Very low43.3Very low64 Ų64108 Ų10853%0.52961%0.605SS.*  trans-99.34.5167.700000112.7D465 G469 I471D465-A467 PolarHBondContact O-N 2.8Å; A467-G469 PolarHBondContact O-N 3.41Å; A467-I471 HydrophobicContact CB-CD1 4.48Å
468A46.2Very low43.5Very low39 Ų39108.5 Ų108.532%0.32260%0.599SS.*Hα-helixtrans-63.5-41.8-174.700000113.1K470 I471 T472A468-K470 VanDerWaalsContact C-N 3.34Å; A468-K470 PolarHBondContact O-N 2.97Å; A468-K470 VanDerWaalsContact O-N 3.15Å; A468-I471 PolarHBondContact O-N 3.15Å; A468-I471 VanDerWaalsContact O-N 3.08Å; A468-T472 HydrophobicContact CB-CG2 4.3Å; A468-T472 WeakPolarHBondContact O-CB 3.29Å; A468-T472 VanDerWaalsContact O-CG2 3.29Å; A468-T472 WeakPolarHBondContact O-CG2 3.23Å; A468-T472 PolarHBondContact O-N 3.09Å; A468-T472 PolarHBondContact O-OG1 3.5Å
469G46.9Very low43.9Very low51 Ų51101.4 Ų101.453%0.52657%0.573SS.*Hα-helixtrans-61.7-29.5-167.300000116.6A467 T472A467-G469 PolarHBondContact O-N 3.41Å; G469-T472 PolarHBondContact O-OG1 3.16Å
470K46.7Very low44.7Very low191 Ų191101.4 Ų101.483%0.8357%0.567SS**Hα-helixtrans-90.4-24.5176.4-72.3-172.2177.6-176.40113.2A468A468-K470 VanDerWaalsContact C-N 3.34Å; A468-K470 PolarHBondContact O-N 2.97Å; A468-K470 VanDerWaalsContact O-N 3.15Å
471I42.9Very low46Very low101 Ų101105 Ų10552%0.51857%0.566SS.*Hα-helixtrans-87.1-32.7-178.8-56.5174.9000110.2A467 A468 D473 A474 F475A467-I471 HydrophobicContact CB-CD1 4.48Å; A468-I471 PolarHBondContact O-N 3.15Å; A468-I471 VanDerWaalsContact O-N 3.08Å; I471-D473 VanDerWaalsContact C-N 3.32Å; I471-D473 PolarHBondContact O-N 3.13Å; I471-A474 PolarHBondContact O-N 3.01Å; I471-F475 HydrophobicContact CG2-CD2 4.23Å; I471-F475 WeakPolarHBondContact O-CB 3.07Å; I471-F475 PolarHBondContact O-N 2.89Å
472T47.3Very low48.2Very low74 Ų7495.9 Ų95.945%0.45453%0.527SS..Hα-helixtrans-65.8-31.1176.147.40000113.1A468 G469 S476A468-T472 HydrophobicContact CB-CG2 4.3Å; A468-T472 WeakPolarHBondContact O-CB 3.29Å; A468-T472 VanDerWaalsContact O-CG2 3.29Å; A468-T472 WeakPolarHBondContact O-CG2 3.23Å; A468-T472 PolarHBondContact O-N 3.09Å; A468-T472 PolarHBondContact O-OG1 3.5Å; G469-T472 PolarHBondContact O-OG1 3.16Å; T472-S476 WeakPolarHBondContact O-CB 3.31Å; T472-S476 PolarHBondContact O-N 3.41Å; T472-S476 PolarHBondContact O-OG 3.4Å
473D44.9Very low50.4Low66 Ų6691.8 Ų91.835%0.35351%0.506SS..Hα-helixtrans-73.5-38.8177.2-80.2-17000112.5R377 I471 S476R377-D473 IonicContact CZ-OD1 3.91Å; R377-D473 IonicContact CZ-OD2 3.33Å; R377-D473 VanDerWaalsContact NH1-CG 3.29Å; R377-D473 IonicContact NH1-OD1 3.08Å; R377-D473 IonicContact NH1-OD2 2.71Å; R377-D473 PolarHBondContact NH1-OD2 2.99Å; R377-D473 IonicContact NH2-OD1 3.78Å; R377-D473 PolarHBondContact NH2-OD1 3.03Å; R377-D473 IonicContact NH2-OD2 2.76Å; R377-D473 PolarHBondContact NH2-OD2 2.97Å; R377-D473 VanDerWaalsContact NH2-OD2 3.08Å; I471-D473 VanDerWaalsContact C-N 3.32Å; I471-D473 PolarHBondContact O-N 3.13Å; D473-S476 PolarHBondContact O-OG 3.2Å
474A42.2Very low52.8Low54 Ų5488 Ų8845%0.44648%0.482SS..Hα-helixtrans-70.9-35.1172.700000112.1I471 S477 L478I471-A474 PolarHBondContact O-N 3.01Å; A474-S477 PolarHBondContact O-OG 3.25Å; A474-L478 WeakPolarHBondContact O-CD1 3.39Å
475F37.6Very low54.9Low126 Ų12685.7 Ų85.755%0.55346%0.459SS*.Hα-helixtrans-83.5-26.1179.7-104.8-96000114.6I471 S477 L478 A479I471-F475 HydrophobicContact CG2-CD2 4.23Å; I471-F475 WeakPolarHBondContact O-CB 3.07Å; I471-F475 PolarHBondContact O-N 2.89Å; F475-S477 VanDerWaalsContact C-N 3.35Å; F475-L478 HydrophobicContact CD2-CD1 4.32Å; F475-L478 HydrophobicContact CE2-CD1 4.43Å; F475-L478 HydrophobicContact CG-CD1 4.44Å; F475-L478 WeakPolarHBondContact O-CB 3.41Å; F475-L478 PolarHBondContact O-N 2.98Å; F475-A479 PolarHBondContact O-N 3.29Å
476S47Very low57.1Low54 Ų5481 Ų8138%0.37844%0.438SS..Hα-helixtrans-73.2-26.4175.156.20000112.6T472 D473T472-S476 WeakPolarHBondContact O-CB 3.31Å; T472-S476 PolarHBondContact O-N 3.41Å; T472-S476 PolarHBondContact O-OG 3.4Å; D473-S476 PolarHBondContact O-OG 3.2Å
477S43.4Very low59.3Low66 Ų6670.7 Ų70.746%0.46239%0.393SS..Hα-helixtrans-76-24.6167.974.50000113.1A474 F475 R485A474-S477 PolarHBondContact O-OG 3.25Å; F475-S477 VanDerWaalsContact C-N 3.35Å; S477-R485 PolarHBondContact O-NH1 3.48Å
478L41.9Very low61.6Low121 Ų12168 Ų6863%0.63437%0.371SS*.Hα-helixtrans-76.8-22.1174.3-90154.9000113.5A474 F475A474-L478 WeakPolarHBondContact O-CD1 3.39Å; F475-L478 HydrophobicContact CD2-CD1 4.32Å; F475-L478 HydrophobicContact CE2-CD1 4.43Å; F475-L478 HydrophobicContact CG-CD1 4.44Å; F475-L478 WeakPolarHBondContact O-CB 3.41Å; F475-L478 PolarHBondContact O-N 2.98Å
479A44.4Very low63.9Low28 Ų2873.4 Ų73.423%0.23139%0.387CS..Hα-helixtrans-104.4-6.8-172.200000115.2F475F475-A479 PolarHBondContact O-N 3.29Å
480K54.6Low66.2Low72 Ų7275.8 Ų75.831%0.31338%0.383SS..  trans-88.2112.6175-70.9-177.2-177.7-172.10110.1S482K480-S482 PolarHBondContact O-N 2.99Å
481R63.7Low68.5Low174 Ų17467 Ų6766%0.65735%0.345SS*.  trans-85.7102.7173.6-70.5-177.2178.1-176.6-0.1108.6
482S84.8Confident71.1Confident8 Ų866.7 Ų66.76%0.05635%0.345CS..  trans-79.1152.6162.471.70000110.5T406 K480 F484 R485 A486T406-S482 WeakPolarHBondContact O-CB 3.49Å; T406-S482 PolarHBondContact O-OG 3.37Å; K480-S482 PolarHBondContact O-N 2.99Å; S482-F484 VanDerWaalsContact C-N 3.31Å; S482-R485 PolarHBondContact O-N 3.02Å; S482-R485 WeakPolarHBondContact OG-CB 3.33Å; S482-R485 PolarHBondContact OG-N 2.9Å; S482-R485 VanDerWaalsContact OG-N 3.12Å; S482-A486 PolarHBondContact O-N 2.77Å; S482-A486 VanDerWaalsContact O-N 3.08Å
483N91.3Very high73.4Confident61 Ų6163.2 Ų63.233%0.32632%0.323SS..Hα-helixtrans-64.2-43.7178.5-69.64.2000109.3N408 R485 A486 I487 L543N408-N483 VanDerWaalsContact CG-N 3.31Å; N408-N483 PolarHBondContact ND2-N 3.44Å; N408-N483 PolarHBondContact ND2-OD1 3.46Å; N408-N483 WeakPolarHBondContact OD1-CB 3.43Å; N408-N483 PolarHBondContact OD1-N 3.11Å; N483-R485 PolarHBondContact O-N 3.2Å; N483-A486 PolarHBondContact O-N 3.31Å; N483-I487 WeakPolarHBondContact O-CB 3.42Å; N483-I487 WeakPolarHBondContact O-CD1 3.15Å; N483-I487 VanDerWaalsContact O-CG1 3.24Å; N483-I487 WeakPolarHBondContact O-CG1 3.24Å; N483-I487 PolarHBondContact O-N 2.88Å; N483-L543 HydrophobicContact CB-CB 4.36Å; N483-L543 HydrophobicContact CB-CD2 4.31Å; N483-L543 PolarHBondContact ND2-O 3.17Å
484F93.5Very high75.8Confident17 Ų1761.9 Ų61.98%0.07532%0.316CS..Hα-helixtrans-55-49.3175.4-179.7-104.7000111.6V238 L371 T406 S482 A486 I487 S488 Y517V238-F484 HydrophobicContact CB-CE2 4.06Å; V238-F484 HydrophobicContact CG1-CE2 3.8Å; V238-F484 HydrophobicContact CG1-CZ 3.96Å; V238-F484 HydrophobicContact CG2-CD2 3.84Å; V238-F484 HydrophobicContact CG2-CE2 3.73Å; V238-F484 HydrophobicContact CG2-CZ 4.49Å; L371-F484 HydrophobicContact CD2-CE1 4.34Å; L371-F484 HydrophobicContact CD2-CZ 3.92Å; L371-F484 WeakPolarHBondContact O-CE1 3.48Å; T406-F484 HydrophobicContact CG2-CD1 3.77Å; T406-F484 HydrophobicContact CG2-CE1 3.87Å; T406-F484 HydrophobicContact CG2-CG 4.38Å; S482-F484 VanDerWaalsContact C-N 3.31Å; F484-A486 VanDerWaalsContact C-N 3.33Å; F484-A486 PolarHBondContact O-N 3.49Å; F484-I487 PolarHBondContact O-N 3.15Å; F484-S488 WeakPolarHBondContact CZ-OG 3.45Å; F484-S488 VanDerWaalsContact O-CB 3.29Å; F484-S488 WeakPolarHBondContact O-CB 3.31Å; F484-S488 PolarHBondContact O-N 3.39Å; F484-S488 PolarHBondContact O-OG 3.17Å; F484-Y517 AromaticContact CE2-CE2 3.96Å; F484-Y517 HydrophobicContact CE2-CE2 3.96Å; F484-Y517 HydrophobicContact CZ-CD2 4.25Å; F484-Y517 AromaticContact CZ-CE2 3.84Å; F484-Y517 HydrophobicContact CZ-CE2 3.84Å
485R91.5Very high78.1Confident79 Ų7960.5 Ų60.530%0.29830%0.302SS..Hα-helixtrans-63.6-38.3179.7-165.9175.8-147.1169.514.7112.8G373 S477 S482 N483 K489G373-R485 PolarHBondContact O-NH2 2.96Å; S477-R485 PolarHBondContact O-NH1 3.48Å; S482-R485 PolarHBondContact O-N 3.02Å; S482-R485 WeakPolarHBondContact OG-CB 3.33Å; S482-R485 PolarHBondContact OG-N 2.9Å; S482-R485 VanDerWaalsContact OG-N 3.12Å; N483-R485 PolarHBondContact O-N 3.2Å; R485-K489 WeakPolarHBondContact O-CB 3.33Å; R485-K489 PolarHBondContact O-N 2.89Å
486A92.9Very high80.3Confident34 Ų3464.4 Ų64.428%0.28131%0.313SS..Hα-helixtrans-64.2-45.817600000111.6S482 N483 F484 K489 K490 L543S482-A486 PolarHBondContact O-N 2.77Å; S482-A486 VanDerWaalsContact O-N 3.08Å; N483-A486 PolarHBondContact O-N 3.31Å; F484-A486 VanDerWaalsContact C-N 3.33Å; F484-A486 PolarHBondContact O-N 3.49Å; A486-K489 PolarHBondContact O-N 3.3Å; A486-K490 WeakPolarHBondContact O-CB 3.27Å; A486-K490 PolarHBondContact O-N 3.19Å; A486-L543 HydrophobicContact CB-CD1 3.73Å
487I95.4Very high81.7Confident4 Ų464.7 Ų64.72%0.02131%0.312CS..Hα-helixtrans-62.6-47.9175.4-66163000110.3N483 F484 K489 K490 L491 L493 L520 V540 L543 L544N483-I487 WeakPolarHBondContact O-CB 3.42Å; N483-I487 WeakPolarHBondContact O-CD1 3.15Å; N483-I487 VanDerWaalsContact O-CG1 3.24Å; N483-I487 WeakPolarHBondContact O-CG1 3.24Å; N483-I487 PolarHBondContact O-N 2.88Å; F484-I487 PolarHBondContact O-N 3.15Å; I487-K489 VanDerWaalsContact C-N 3.28Å; I487-K489 PolarHBondContact O-N 2.97Å; I487-K490 PolarHBondContact O-N 3.12Å; I487-L491 HydrophobicContact CG2-CD1 3.87Å; I487-L491 HydrophobicContact CG2-CG 4.39Å; I487-L491 WeakPolarHBondContact O-CB 3.4Å; I487-L491 PolarHBondContact O-N 3.13Å; I487-L493 HydrophobicContact CG2-CD1 4.08Å; I487-L520 HydrophobicContact CG2-CD1 3.69Å; I487-V540 HydrophobicContact CG1-CG1 4.45Å; I487-V540 HydrophobicContact CG2-CG1 4.16Å; I487-L543 HydrophobicContact CD1-CB 3.81Å; I487-L543 HydrophobicContact CG1-CB 3.84Å; I487-L543 HydrophobicContact CG1-CD1 3.92Å; I487-L544 HydrophobicContact CD1-CD2 3.56Å; I487-L544 HydrophobicContact CD1-CG 3.74Å
488S95.3Very high83.1Confident9 Ų970 Ų706%0.06334%0.335CS..Hα-helixtrans-56.6-40.7178.4-69.90000112.5F484 N492 L493F484-S488 WeakPolarHBondContact CZ-OG 3.45Å; F484-S488 VanDerWaalsContact O-CB 3.29Å; F484-S488 WeakPolarHBondContact O-CB 3.31Å; F484-S488 PolarHBondContact O-N 3.39Å; F484-S488 PolarHBondContact O-OG 3.17Å; S488-N492 CarbonylContact O-C 3.58Å; S488-N492 VanDerWaalsContact O-CA 3.28Å; S488-N492 WeakPolarHBondContact O-CA 2.86Å; S488-N492 PolarHBondContact O-N 3.32Å; S488-L493 PolarHBondContact O-N 2.89Å
489K93.8Very high84.9Confident151 Ų15167.3 Ų67.366%0.65734%0.337SS*.Hα-helixtrans-69.4-40.7174.2-175.1179.6178.3-179.30112.4R485 A486 I487R485-K489 WeakPolarHBondContact O-CB 3.33Å; R485-K489 PolarHBondContact O-N 2.89Å; A486-K489 PolarHBondContact O-N 3.3Å; I487-K489 VanDerWaalsContact C-N 3.28Å; I487-K489 PolarHBondContact O-N 2.97Å
490K94.9Very high86.7Confident101 Ų10175.1 Ų75.144%0.43937%0.369SS..Hα-helixtrans-68.1-39.9-177.7-17468.7170.2-138.70112.2A486 I487 E539 V540A486-K490 WeakPolarHBondContact O-CB 3.27Å; A486-K490 PolarHBondContact O-N 3.19Å; I487-K490 PolarHBondContact O-N 3.12Å; K490-E539 IonicContact NZ-OE2 3.1Å; K490-E539 PolarHBondContact NZ-OE2 3.3Å; K490-V540 HydrophobicContact CB-CG2 4.38Å; K490-V540 HydrophobicContact CG-CG2 3.9Å
491L96.1Very high88.4Confident8 Ų873.6 Ų73.64%0.04236%0.361CS..Hα-helixtrans-100.61.8-175-65.6-174.9000113.9I487 L493 L520 R523 I524 Q527 L537 V540I487-L491 HydrophobicContact CG2-CD1 3.87Å; I487-L491 HydrophobicContact CG2-CG 4.39Å; I487-L491 WeakPolarHBondContact O-CB 3.4Å; I487-L491 PolarHBondContact O-N 3.13Å; L491-L493 VanDerWaalsContact C-N 3.31Å; L491-L493 HydrophobicContact CB-CD2 3.75Å; L491-L493 HydrophobicContact CB-CG 3.92Å; L491-L493 HydrophobicContact CD1-CD2 4.41Å; L491-L493 PolarHBondContact O-N 3.08Å; L491-L520 HydrophobicContact CD1-CD1 3.48Å; L491-L520 VanDerWaalsContact CD1-CD1 3.48Å; L491-R523 HydrophobicContact CB-CG 4Å; L491-R523 PolarHBondContact O-NE 3.3Å; L491-I524 HydrophobicContact CD1-CG1 4.22Å; L491-Q527 HydrophobicContact CD2-CG 4.22Å; L491-L537 HydrophobicContact CD2-CD2 3.67Å; L491-V540 HydrophobicContact CD1-CG1 4.03Å; L491-V540 HydrophobicContact CD1-CG2 4.21Å; L491-V540 HydrophobicContact CD2-CG2 4.1Å; L491-V540 HydrophobicContact CG-CG2 4Å
492N95.8Very high89.7Confident94 Ų9469.2 Ų69.250%0.50335%0.351SS..THydrogen-bonded Turntrans50.551.8-174.4-56.8-56.9000111.7S488 I494 R523S488-N492 CarbonylContact O-C 3.58Å; S488-N492 VanDerWaalsContact O-CA 3.28Å; S488-N492 WeakPolarHBondContact O-CA 2.86Å; S488-N492 PolarHBondContact O-N 3.32Å; N492-I494 VanDerWaalsContact C-N 3.3Å; N492-R523 PolarHBondContact O-NH2 3.33Å
493L96.8Very high90Very high0 Ų070.6 Ų70.60%036%0.358CS..  trans-74.9-24179-57-176.9000112.6I487 S488 L491 P495 Y517 V518 L520 R523I487-L493 HydrophobicContact CG2-CD1 4.08Å; S488-L493 PolarHBondContact O-N 2.89Å; L491-L493 VanDerWaalsContact C-N 3.31Å; L491-L493 HydrophobicContact CB-CD2 3.75Å; L491-L493 HydrophobicContact CB-CG 3.92Å; L491-L493 HydrophobicContact CD1-CD2 4.41Å; L491-L493 PolarHBondContact O-N 3.08Å; L493-P495 WeakPolarHBondContact O-CD 3.47Å; L493-Y517 HydrophobicContact CB-CD2 4.06Å; L493-Y517 HydrophobicContact CB-CE2 3.89Å; L493-Y517 HydrophobicContact CD1-CE2 3.96Å; L493-Y517 HydrophobicContact CG-CE2 4.48Å; L493-Y517 CarbonylContact O-C 3.23Å; L493-Y517 WeakPolarHBondContact O-CA 3.3Å; L493-V518 PolarHBondContact O-N 2.99Å; L493-L520 HydrophobicContact CD1-CB 3.95Å; L493-L520 HydrophobicContact CD1-CD1 3.95Å; L493-R523 HydrophobicContact CD2-CB 3.58Å; L493-R523 HydrophobicContact CD2-CG 3.68Å
494I94.9Very high89.9Confident39 Ų3974.9 Ų74.920%0.237%0.374CS..SBendtrans-102.7106.8173.7-51.7-58.8000106.9L371 E372 N492 A516 Y517L371-I494 HydrophobicContact CB-CD1 4.18Å; L371-I494 WeakPolarHBondContact O-CD1 3.37Å; E372-I494 HydrophobicContact CG-CG2 4Å; N492-I494 VanDerWaalsContact C-N 3.3Å; I494-A516 WeakPolarHBondContact CD1-O 3.38Å; I494-Y517 HydrophobicContact CD1-CD2 4.07Å
495P90.6Very high89.7Confident24 Ų2478 Ų7816%0.15639%0.394CS..  trans-57.9140.4178.3-2333.4000111.3L493 V497 A510 G515 V518L493-P495 WeakPolarHBondContact O-CD 3.47Å; P495-V497 HydrophobicContact CB-CG2 4.16Å; P495-A510 HydrophobicContact CG-CB 3.32Å; P495-G515 WeakPolarHBondContact CD-O 3.42Å; P495-G515 WeakPolarHBondContact CG-O 3.2Å; P495-V518 HydrophobicContact CG-CG2 4.32Å
496R83.2Confident89.7Confident209 Ų20975.4 Ų75.479%0.78939%0.387SS*.  trans-102101172.1-62.2-176.6-174.3-179.94.1107.6
497V76.9Confident89.7Confident59 Ų5983.9 Ų83.936%0.35841%0.412SS..  trans-111130.1178.7-168.80000109.1P495 G499 Y501P495-V497 HydrophobicContact CB-CG2 4.16Å; V497-G499 PolarHBondContact O-N 3.13Å; V497-Y501 HydrophobicContact CG2-CD2 3.79Å; V497-Y501 HydrophobicContact CG2-CE2 4.48Å
498D72.3Confident89.7Confident177 Ų17785.5 Ų85.595%0.94742%0.42SS*.SBendtrans-75.898.3168.1-65.5-38.9000108.2
499G79.1Confident89.8Confident65 Ų6585.3 Ų85.367%0.6742%0.419SS*.SBendtrans97.3-157.7-177.500000113.9V497V497-G499 PolarHBondContact O-N 3.13Å
500E83.1Confident89.9Confident193 Ų19378.1 Ų78.190%0.90239%0.387SS*.SBendtrans-76.4138.8-178.2-68-175.6172.700111.9D502E500-D502 PolarHBondContact O-N 3.03Å
501Y89.9Confident90.1Very high39 Ų3973.5 Ų73.515%0.15337%0.367CS..  trans-68.9121.9174.8-169.2-74.3000110.2V497 L503 P506 D508 A510 Y511 G515V497-Y501 HydrophobicContact CG2-CD2 3.79Å; V497-Y501 HydrophobicContact CG2-CE2 4.48Å; Y501-L503 HydrophobicContact CD1-CD2 3.66Å; Y501-L503 HydrophobicContact CD1-CG 4.08Å; Y501-L503 HydrophobicContact CE1-CD2 3.93Å; Y501-L503 PolarHBondContact O-N 2.86Å; Y501-L503 VanDerWaalsContact O-N 3.1Å; Y501-P506 HydrophobicContact CE1-CB 4.46Å; Y501-D508 PolarHBondContact OH-O 3.46Å; Y501-D508 PolarHBondContact OH-OD1 2.66Å; Y501-A510 HydrophobicContact CE2-CB 4.25Å; Y501-Y511 PolarHBondContact OH-N 3.44Å; Y501-G515 VanDerWaalsContact CD2-CA 3.44Å
502D91.1Very high90.1Very high83 Ų8373.1 Ų73.144%0.44437%0.365SS..  trans-78.298.6178-172.8-3.6000111.3E500 K504 V505E500-D502 PolarHBondContact O-N 3.03Å; D502-K504 PolarHBondContact O-N 3.41Å; D502-K504 WeakPolarHBondContact OD1-CA 3.23Å; D502-K504 VanDerWaalsContact OD1-CB 3.3Å; D502-K504 WeakPolarHBondContact OD1-CB 3.46Å; D502-K504 PolarHBondContact OD1-N 2.9Å; D502-V505 CarbonylContact O-C 3.3Å; D502-V505 VanDerWaalsContact O-C 3.29Å; D502-V505 PolarHBondContact O-N 3.48Å; D502-V505 PolarHBondContact OD1-N 3.44Å
503L91.8Very high90.2Very high36 Ų3668.7 Ų68.719%0.18834%0.342CS..THydrogen-bonded Turntrans-73.6-12.6178.4-64.9166.2000113.5N296 Y501N296-L503 PolarHBondContact ND2-O 2.76Å; Y501-L503 HydrophobicContact CD1-CD2 3.66Å; Y501-L503 HydrophobicContact CD1-CG 4.08Å; Y501-L503 HydrophobicContact CE1-CD2 3.93Å; Y501-L503 PolarHBondContact O-N 2.86Å; Y501-L503 VanDerWaalsContact O-N 3.1Å
504K88.1Confident90.1Very high152 Ų15270.2 Ų70.266%0.66135%0.352SS*.THydrogen-bonded Turntrans-80-30175.9-63.8176.4-179171.10111.8D502D502-K504 PolarHBondContact O-N 3.41Å; D502-K504 WeakPolarHBondContact OD1-CA 3.23Å; D502-K504 VanDerWaalsContact OD1-CB 3.3Å; D502-K504 WeakPolarHBondContact OD1-CB 3.46Å; D502-K504 PolarHBondContact OD1-N 2.9Å
505V89.7Confident90.1Very high82 Ų8268.9 Ų68.950%0.49735%0.348SS..SBendtrans-130.574.7177.5-169.60000108.2D502 R507D502-V505 CarbonylContact O-C 3.3Å; D502-V505 VanDerWaalsContact O-C 3.29Å; D502-V505 PolarHBondContact O-N 3.48Å; D502-V505 PolarHBondContact OD1-N 3.44Å; V505-R507 PolarHBondContact O-N 3.26Å
506P92.4Very high90.2Very high25 Ų2568 Ų6816%0.16234%0.342CS..  trans-62.8137.2-177.426.8-34.4000110.7Y501 Y511 F586Y501-P506 HydrophobicContact CE1-CB 4.46Å; P506-Y511 VanDerWaalsContact CB-CB 3.41Å; P506-Y511 HydrophobicContact CB-CD1 4.09Å; P506-Y511 HydrophobicContact CB-CD2 4.45Å; P506-Y511 HydrophobicContact CB-CG 3.73Å; P506-Y511 HydrophobicContact CG-CG 4.21Å; P506-F586 HydrophobicContact CB-CE2 4.23Å; P506-F586 HydrophobicContact CG-CD2 4.49Å; P506-F586 HydrophobicContact CG-CE2 3.98Å
507R91.9Very high90.9Very high211 Ų21158 Ų5880%0.79631%0.305SS*.  trans-97.8-19.9-176.7-63-177.4-179.1-179.51.7113.4V505V505-R507 PolarHBondContact O-N 3.26Å
508D95.3Very high91.9Very high38 Ų3855.2 Ų55.220%0.20329%0.288CS..SBendtrans-150.7177.6-17860.124.8000110.5Y501 A510 Y511 F586Y501-D508 PolarHBondContact OH-O 3.46Å; Y501-D508 PolarHBondContact OH-OD1 2.66Å; D508-A510 PolarHBondContact O-N 2.79Å; D508-A510 VanDerWaalsContact O-N 3.1Å; D508-A510 WeakPolarHBondContact OD1-CB 3.47Å; D508-A510 PolarHBondContact OD1-N 3.2Å; D508-Y511 WeakPolarHBondContact O-CD1 3.43Å; D508-F586 VanDerWaalsContact C-CE1 3.43Å
509M97.8Very high93.2Very high5 Ų546.8 Ų46.83%0.02524%0.243CC..G310 helixtrans-62.7-11.6178.4-69.8-175-73.900114Y511 V512 V518 C522 E526 A583 F586 L587M509-Y511 PolarHBondContact O-N 2.95Å; M509-V512 WeakPolarHBondContact O-CG2 3.29Å; M509-V512 PolarHBondContact O-N 3.02Å; M509-V518 HydrophobicContact CB-CG1 3.92Å; M509-V518 HydrophobicContact CE-CG1 4.01Å; M509-C522 HydrophobicContact CE-CB 4.26Å; M509-C522 HydrophobicContact SD-CB 3.76Å; M509-E526 HydrophobicContact CE-CB 4.27Å; M509-E526 WeakPolarHBondContact CE-OE2 3.38Å; M509-A583 HydrophobicContact CB-CB 3.97Å; M509-A583 HydrophobicContact CG-CB 4.06Å; M509-A583 WeakPolarHBondContact CG-O 3.24Å; M509-A583 HydrophobicContact SD-CB 4.07Å; M509-F586 HydrophobicContact CG-CD1 3.91Å; M509-L587 HydrophobicContact CE-CD2 4.38Å; M509-L587 HydrophobicContact CG-CB 4.38Å; M509-L587 HydrophobicContact SD-CB 3.87Å; M509-L587 HydrophobicContact SD-CD2 4.24Å; M509-L587 HydrophobicContact SD-CG 4.49Å
510A97.3Very high94.1Very high0 Ų043.9 Ų43.90%021%0.212CC..G310 helixtrans-68.6-16.6-175.300000113.3P495 Y501 D508 V512 F513 S514 G515 Y517 V518P495-A510 HydrophobicContact CG-CB 3.32Å; Y501-A510 HydrophobicContact CE2-CB 4.25Å; D508-A510 PolarHBondContact O-N 2.79Å; D508-A510 VanDerWaalsContact O-N 3.1Å; D508-A510 WeakPolarHBondContact OD1-CB 3.47Å; D508-A510 PolarHBondContact OD1-N 3.2Å; A510-V512 PolarHBondContact O-N 2.94Å; A510-V512 VanDerWaalsContact O-N 3.08Å; A510-F513 CarbonylContact O-C 3.55Å; A510-F513 VanDerWaalsContact O-C 3.3Å; A510-F513 PolarHBondContact O-N 2.95Å; A510-S514 PolarHBondContact O-N 3.4Å; A510-G515 WeakPolarHBondContact O-CA 3.44Å; A510-G515 PolarHBondContact O-N 3.39Å; A510-Y517 VanDerWaalsContact CA-O 3.3Å; A510-Y517 WeakPolarHBondContact CA-O 3.49Å; A510-V518 HydrophobicContact CB-CG2 3.58Å
511Y97.3Very high94.8Very high5 Ų534.9 Ų34.92%0.0217%0.17CC..G310 helixtrans-55.7-26.6177.688.4-85.8000112.9V246 N291 H293 Y501 P506 D508 M509 F513 S514 S582 F586V246-Y511 HydrophobicContact CG1-CE2 4Å; N291-Y511 WeakPolarHBondContact O-CE2 3.43Å; N291-Y511 PolarHBondContact O-OH 2.97Å; H293-Y511 HydrophobicContact CB-CD2 4.28Å; H293-Y511 PolarHBondContact CD2-O 3.13Å; H293-Y511 VanDerWaalsContact CD2-O 3.25Å; Y501-Y511 PolarHBondContact OH-N 3.44Å; P506-Y511 VanDerWaalsContact CB-CB 3.41Å; P506-Y511 HydrophobicContact CB-CD1 4.09Å; P506-Y511 HydrophobicContact CB-CD2 4.45Å; P506-Y511 HydrophobicContact CB-CG 3.73Å; P506-Y511 HydrophobicContact CG-CG 4.21Å; D508-Y511 WeakPolarHBondContact O-CD1 3.43Å; M509-Y511 PolarHBondContact O-N 2.95Å; Y511-F513 PolarHBondContact O-N 3.44Å; Y511-S514 PolarHBondContact O-N 3.22Å; Y511-S582 PolarHBondContact OH-O 3.32Å; Y511-F586 HydrophobicContact CD1-CD2 4.19Å; Y511-F586 HydrophobicContact CD1-CG 4.33Å; Y511-F586 HydrophobicContact CE1-CB 3.69Å; Y511-F586 AromaticContact CE1-CD2 3.8Å; Y511-F586 HydrophobicContact CE1-CD2 3.8Å; Y511-F586 AromaticContact CE1-CG 3.78Å; Y511-F586 HydrophobicContact CE1-CG 3.78Å
512V97.6Very high95.2Very high0 Ų033 Ų330%016%0.163CC..G310 helixtrans-68.4-11.4177.6-51.80000113.4V245 V246 M509 A510 P519 A583V245-V512 WeakPolarHBondContact CG2-O 3.44Å; V246-V512 HydrophobicContact CG1-CB 4.01Å; V246-V512 HydrophobicContact CG1-CG1 3.94Å; M509-V512 WeakPolarHBondContact O-CG2 3.29Å; M509-V512 PolarHBondContact O-N 3.02Å; A510-V512 PolarHBondContact O-N 2.94Å; A510-V512 VanDerWaalsContact O-N 3.08Å; V512-P519 HydrophobicContact CG2-CG 3.87Å; V512-A583 HydrophobicContact CG1-CB 4.02Å; V512-A583 HydrophobicContact CG2-CB 4.26Å
513F96.7Very high95.6Very high1 Ų130.6 Ų30.60%0.00415%0.147CC..G310 helixtrans-132.342.6171.8-62.3-59.3000111T239 C242 S243 A510 Y511 G515 A516 Y517 P519T239-F513 HydrophobicContact CG2-CE2 4.11Å; T239-F513 HydrophobicContact CG2-CZ 4.06Å; C242-F513 HydrophobicContact CB-CD1 3.85Å; C242-F513 HydrophobicContact CB-CE1 3.39Å; C242-F513 HydrophobicContact CB-CE2 4.46Å; C242-F513 HydrophobicContact CB-CZ 3.73Å; S243-F513 WeakPolarHBondContact O-CD1 3.4Å; S243-F513 WeakPolarHBondContact O-CE1 3.46Å; A510-F513 CarbonylContact O-C 3.55Å; A510-F513 VanDerWaalsContact O-C 3.3Å; A510-F513 PolarHBondContact O-N 2.95Å; Y511-F513 PolarHBondContact O-N 3.44Å; F513-G515 PolarHBondContact O-N 3.33Å; F513-A516 WeakPolarHBondContact O-CB 3.49Å; F513-A516 PolarHBondContact O-N 3.26Å; F513-Y517 AromaticContact CD2-CD1 3.57Å; F513-Y517 HydrophobicContact CD2-CD1 3.57Å; F513-Y517 HydrophobicContact CD2-CE1 4.34Å; F513-Y517 HydrophobicContact CD2-CG 4.46Å; F513-Y517 AromaticContact CE2-CD1 3.79Å; F513-Y517 HydrophobicContact CE2-CD1 3.79Å; F513-Y517 HydrophobicContact CE2-CE1 4.12Å; F513-Y517 HydrophobicContact CG-CD1 4.42Å; F513-P519 HydrophobicContact CD2-CG 4.28Å; F513-P519 HydrophobicContact CE2-CG 3.81Å
514S94.9Very high95.9Very high32 Ų3228.9 Ų28.922%0.22414%0.139CC..THydrogen-bonded Turntrans56.223.2175.4-51.20000115.7H293 A510 Y511 A516H293-S514 PolarHBondContact NE2-OG 3.32Å; A510-S514 PolarHBondContact O-N 3.4Å; Y511-S514 PolarHBondContact O-N 3.22Å; S514-A516 VanDerWaalsContact C-N 3.32Å
515G94.6Very high96.4Very high10 Ų1021.7 Ų21.710%0.10311%0.107CC..THydrogen-bonded Turntrans84.8-2.2-176.900000115P495 Y501 A510 F513P495-G515 WeakPolarHBondContact CD-O 3.42Å; P495-G515 WeakPolarHBondContact CG-O 3.2Å; Y501-G515 VanDerWaalsContact CD2-CA 3.44Å; A510-G515 WeakPolarHBondContact O-CA 3.44Å; A510-G515 PolarHBondContact O-N 3.39Å; F513-G515 PolarHBondContact O-N 3.33Å
516A94.1Very high96.8Very high5 Ų518.7 Ų18.74%0.0419%0.088CC..SBendtrans-77.7-31.9-17900000112.6H368 I494 F513 S514H368-A516 HydrophobicContact CB-CB 3.99Å; H368-A516 VanDerWaalsContact CD2-CB 3.42Å; H368-A516 WeakPolarHBondContact CD2-CB 3.32Å; H368-A516 VanDerWaalsContact CG-CB 3.45Å; I494-A516 WeakPolarHBondContact CD1-O 3.38Å; F513-A516 WeakPolarHBondContact O-CB 3.49Å; F513-A516 PolarHBondContact O-N 3.26Å; S514-A516 VanDerWaalsContact C-N 3.32Å
517Y97.1Very high97Very high0 Ų018.9 Ų18.90%09%0.087CC..  trans-154.4137.7-171.1173.8-112.7000112.6D236 V238 T239 L371 F484 L493 I494 A510 F513 L520D236-Y517 PolarHBondContact OD1-OH 3.32Å; V238-Y517 HydrophobicContact CG1-CE1 4.14Å; V238-Y517 HydrophobicContact CG1-CE2 4.44Å; T239-Y517 WeakPolarHBondContact OG1-CE1 3.36Å; T239-Y517 PolarHBondContact OG1-OH 3.16Å; L371-Y517 HydrophobicContact CD1-CG 4.31Å; L371-Y517 HydrophobicContact CD2-CD2 4.44Å; L371-Y517 HydrophobicContact CD2-CG 4.35Å; F484-Y517 AromaticContact CE2-CE2 3.96Å; F484-Y517 HydrophobicContact CE2-CE2 3.96Å; F484-Y517 HydrophobicContact CZ-CD2 4.25Å; F484-Y517 AromaticContact CZ-CE2 3.84Å; F484-Y517 HydrophobicContact CZ-CE2 3.84Å; L493-Y517 HydrophobicContact CB-CD2 4.06Å; L493-Y517 HydrophobicContact CB-CE2 3.89Å; L493-Y517 HydrophobicContact CD1-CE2 3.96Å; L493-Y517 HydrophobicContact CG-CE2 4.48Å; L493-Y517 CarbonylContact O-C 3.23Å; L493-Y517 WeakPolarHBondContact O-CA 3.3Å; I494-Y517 HydrophobicContact CD1-CD2 4.07Å; A510-Y517 VanDerWaalsContact CA-O 3.3Å; A510-Y517 WeakPolarHBondContact CA-O 3.49Å; F513-Y517 AromaticContact CD2-CD1 3.57Å; F513-Y517 HydrophobicContact CD2-CD1 3.57Å; F513-Y517 HydrophobicContact CD2-CE1 4.34Å; F513-Y517 HydrophobicContact CD2-CG 4.46Å; F513-Y517 AromaticContact CE2-CD1 3.79Å; F513-Y517 HydrophobicContact CE2-CD1 3.79Å; F513-Y517 HydrophobicContact CE2-CE1 4.12Å; F513-Y517 HydrophobicContact CG-CD1 4.42Å; Y517-L520 VanDerWaalsContact OH-CB 3.3Å; Y517-L520 WeakPolarHBondContact OH-CB 3.42Å; Y517-L520 PolarHBondContact OH-N 3.07Å
518V98.4Very high97.3Very high0 Ų08.9 Ų8.90%05%0.049CC..  trans-95.5125.7167.5179.20000108.3L493 P495 M509 A510 L520 R523L493-V518 PolarHBondContact O-N 2.99Å; P495-V518 HydrophobicContact CG-CG2 4.32Å; M509-V518 HydrophobicContact CB-CG1 3.92Å; M509-V518 HydrophobicContact CE-CG1 4.01Å; A510-V518 HydrophobicContact CB-CG2 3.58Å; V518-L520 PolarHBondContact O-N 3.34Å; V518-R523 HydrophobicContact CG1-CB 4.08Å
519P98.5Very high97.3Very high0 Ų07.5 Ų7.50%04%0.041CC..  trans-49.8125.1176.1-20.824.4000112T239 V512 F513 S521 C522 R523 E580 A583T239-P519 HydrophobicContact CG2-CB 3.85Å; T239-P519 HydrophobicContact CG2-CG 4.38Å; T239-P519 WeakPolarHBondContact OG1-CA 3.48Å; V512-P519 HydrophobicContact CG2-CG 3.87Å; F513-P519 HydrophobicContact CD2-CG 4.28Å; F513-P519 HydrophobicContact CE2-CG 3.81Å; P519-S521 VanDerWaalsContact C-N 3.31Å; P519-S521 PolarHBondContact O-N 3.31Å; P519-C522 HydrophobicContact CB-CB 3.94Å; P519-C522 HydrophobicContact CG-CB 4.39Å; P519-C522 PolarHBondContact O-N 3.18Å; P519-C522 VanDerWaalsContact O-N 3.17Å; P519-R523 PolarHBondContact O-N 3.36Å; P519-E580 HydrophobicContact CB-CG 4.3Å; P519-A583 HydrophobicContact CG-CB 4.09Å
520L98.6Very high97.2Very high5 Ų512.1 Ų12.13%0.0266%0.063CC..Hα-helixtrans-59.2-44.9-177.8163.267000110.6V235 D236 I487 L491 L493 Y517 V518 C522 R523 I524 L544V235-L520 WeakPolarHBondContact O-CD2 3.43Å; D236-L520 HydrophobicContact CB-CB 4.22Å; D236-L520 HydrophobicContact CB-CD2 4.12Å; D236-L520 HydrophobicContact CB-CG 4.32Å; D236-L520 WeakPolarHBondContact OD2-CB 3.45Å; D236-L520 PolarHBondContact OD2-N 2.9Å; I487-L520 HydrophobicContact CG2-CD1 3.69Å; L491-L520 HydrophobicContact CD1-CD1 3.48Å; L491-L520 VanDerWaalsContact CD1-CD1 3.48Å; L493-L520 HydrophobicContact CD1-CB 3.95Å; L493-L520 HydrophobicContact CD1-CD1 3.95Å; Y517-L520 VanDerWaalsContact OH-CB 3.3Å; Y517-L520 WeakPolarHBondContact OH-CB 3.42Å; Y517-L520 PolarHBondContact OH-N 3.07Å; V518-L520 PolarHBondContact O-N 3.34Å; L520-C522 VanDerWaalsContact C-N 3.29Å; L520-C522 PolarHBondContact O-N 3.08Å; L520-R523 PolarHBondContact O-N 3.02Å; L520-I524 HydrophobicContact CD1-CD1 3.67Å; L520-I524 HydrophobicContact CD1-CG1 3.89Å; L520-I524 HydrophobicContact CG-CD1 3.91Å; L520-I524 HydrophobicContact CG-CG1 4.49Å; L520-I524 WeakPolarHBondContact O-CG1 3.49Å; L520-I524 PolarHBondContact O-N 3.08Å; L520-L544 HydrophobicContact CD2-CD1 4.37Å; L520-L544 HydrophobicContact CD2-CD2 3.85Å
521S98.1Very high97Very high3 Ų316.8 Ų16.82%0.0218%0.081CC..Hα-helixtrans-54-45.6176.462.90000112D236 P519 I524 I525 E580D236-S521 PolarHBondContact OD2-N 3.05Å; D236-S521 PolarHBondContact OD2-OG 2.65Å; P519-S521 VanDerWaalsContact C-N 3.31Å; P519-S521 PolarHBondContact O-N 3.31Å; S521-I524 PolarHBondContact O-N 3.12Å; S521-I525 WeakPolarHBondContact O-CG1 3.49Å; S521-I525 PolarHBondContact O-N 3.22Å; S521-E580 PolarHBondContact OG-OE1 3.45Å
522C98.7Very high96.7Very high0 Ų023.1 Ų23.10%010%0.104CC..Hα-helixtrans-70.9-38.8-179.3-58.70000112M509 P519 L520 I525 E526 A583 L584M509-C522 HydrophobicContact CE-CB 4.26Å; M509-C522 HydrophobicContact SD-CB 3.76Å; P519-C522 HydrophobicContact CB-CB 3.94Å; P519-C522 HydrophobicContact CG-CB 4.39Å; P519-C522 PolarHBondContact O-N 3.18Å; P519-C522 VanDerWaalsContact O-N 3.17Å; L520-C522 VanDerWaalsContact C-N 3.29Å; L520-C522 PolarHBondContact O-N 3.08Å; C522-I525 PolarHBondContact O-N 3.13Å; C522-E526 PolarHBondContact O-N 2.95Å; C522-A583 HydrophobicContact CB-CB 4.33Å; C522-L584 HydrophobicContact CB-CD2 4.03Å; C522-L584 HydrophobicContact CB-CG 4.13Å
523R98.4Very high96.5Very high32 Ų3224.6 Ų24.612%0.12112%0.115CC..Hα-helixtrans-67.9-37.6176.4-175.165.276.7174.110.7112.2L491 N492 L493 V518 P519 L520 I525 E526 Q527L491-R523 HydrophobicContact CB-CG 4Å; L491-R523 PolarHBondContact O-NE 3.3Å; N492-R523 PolarHBondContact O-NH2 3.33Å; L493-R523 HydrophobicContact CD2-CB 3.58Å; L493-R523 HydrophobicContact CD2-CG 3.68Å; V518-R523 HydrophobicContact CG1-CB 4.08Å; P519-R523 PolarHBondContact O-N 3.36Å; L520-R523 PolarHBondContact O-N 3.02Å; R523-I525 VanDerWaalsContact C-N 3.34Å; R523-E526 VanDerWaalsContact CD-OE2 3.27Å; R523-E526 WeakPolarHBondContact CD-OE2 3.41Å; R523-E526 IonicContact CZ-OE2 3.76Å; R523-E526 IonicContact NE-OE2 3.21Å; R523-E526 IonicContact NH1-OE1 3.75Å; R523-E526 IonicContact NH1-OE2 2.74Å; R523-E526 PolarHBondContact NH1-OE2 2.89Å; R523-E526 PolarHBondContact O-N 3.27Å; R523-Q527 HydrophobicContact CG-CG 4.48Å; R523-Q527 WeakPolarHBondContact O-CG 3.46Å; R523-Q527 PolarHBondContact O-N 3.37Å
524I98.3Very high96.4Very high1 Ų125.4 Ų25.41%0.00512%0.118CC..Hα-helixtrans-59-48.7173.4-74.8170.3000109.9I196 V235 L491 L520 S521 E526 Q527 V528 W534 L544I196-I524 HydrophobicContact CD1-CD1 4.29Å; V235-I524 HydrophobicContact CG1-CD1 4.32Å; L491-I524 HydrophobicContact CD1-CG1 4.22Å; L520-I524 HydrophobicContact CD1-CD1 3.67Å; L520-I524 HydrophobicContact CD1-CG1 3.89Å; L520-I524 HydrophobicContact CG-CD1 3.91Å; L520-I524 HydrophobicContact CG-CG1 4.49Å; L520-I524 WeakPolarHBondContact O-CG1 3.49Å; L520-I524 PolarHBondContact O-N 3.08Å; S521-I524 PolarHBondContact O-N 3.12Å; I524-E526 VanDerWaalsContact C-N 3.33Å; I524-E526 PolarHBondContact O-N 3.39Å; I524-Q527 PolarHBondContact O-N 3.16Å; I524-V528 HydrophobicContact CG2-CG2 4.28Å; I524-V528 WeakPolarHBondContact O-CG2 3.32Å; I524-V528 PolarHBondContact O-N 3.47Å; I524-W534 HydrophobicContact CG2-CH2 3.59Å; I524-W534 HydrophobicContact CG2-CZ3 3.45Å; I524-W534 VanDerWaalsContact CG2-CZ3 3.45Å; I524-L544 HydrophobicContact CD1-CD1 4.18Å
525I98.5Very high96.3Very high0 Ų030.8 Ų30.80%014%0.139CC..Hα-helixtrans-57.5-46.9178.1-68165.2000110.7F229 L231 S521 C522 R523 Q527 V528 L529 V570 L584 F595F229-I525 HydrophobicContact CD1-CG1 3.98Å; F229-I525 HydrophobicContact CD2-CG2 4.44Å; F229-I525 HydrophobicContact CE1-CG1 4.4Å; F229-I525 HydrophobicContact CE1-CG2 4.41Å; F229-I525 HydrophobicContact CE2-CG2 4.29Å; F229-I525 HydrophobicContact CG-CG1 4.24Å; F229-I525 HydrophobicContact CZ-CG2 4.28Å; L231-I525 HydrophobicContact CD1-CD1 3.93Å; L231-I525 HydrophobicContact CD1-CG1 4.35Å; L231-I525 HydrophobicContact CD2-CD1 4.24Å; L231-I525 HydrophobicContact CD2-CG1 4.22Å; S521-I525 WeakPolarHBondContact O-CG1 3.49Å; S521-I525 PolarHBondContact O-N 3.22Å; C522-I525 PolarHBondContact O-N 3.13Å; R523-I525 VanDerWaalsContact C-N 3.34Å; I525-Q527 PolarHBondContact O-N 2.97Å; I525-V528 PolarHBondContact O-N 2.99Å; I525-L529 HydrophobicContact CG2-CD1 3.64Å; I525-L529 HydrophobicContact CG2-CG 4.24Å; I525-L529 WeakPolarHBondContact O-CB 3.38Å; I525-L529 VanDerWaalsContact O-CG 3.23Å; I525-L529 WeakPolarHBondContact O-CG 3.25Å; I525-L529 PolarHBondContact O-N 3.02Å; I525-V570 HydrophobicContact CD1-CG1 3.55Å; I525-V570 HydrophobicContact CD1-CG2 4.11Å; I525-L584 HydrophobicContact CB-CD2 4.26Å; I525-L584 HydrophobicContact CD1-CD1 3.82Å; I525-L584 HydrophobicContact CD1-CD2 4.08Å; I525-L584 HydrophobicContact CG2-CD2 4.07Å; I525-F595 HydrophobicContact CG2-CE1 3.95Å; I525-F595 HydrophobicContact CG2-CZ 4.47Å
526E98.1Very high96.2Very high20 Ų2032 Ų329%0.09315%0.152CC..Hα-helixtrans-56.2-49176.2-177.2-179.5-150.900112.2M509 C522 R523 I524 V528 L529 E530 L587 K591M509-E526 HydrophobicContact CE-CB 4.27Å; M509-E526 WeakPolarHBondContact CE-OE2 3.38Å; C522-E526 PolarHBondContact O-N 2.95Å; R523-E526 VanDerWaalsContact CD-OE2 3.27Å; R523-E526 WeakPolarHBondContact CD-OE2 3.41Å; R523-E526 IonicContact CZ-OE2 3.76Å; R523-E526 IonicContact NE-OE2 3.21Å; R523-E526 IonicContact NH1-OE1 3.75Å; R523-E526 IonicContact NH1-OE2 2.74Å; R523-E526 PolarHBondContact NH1-OE2 2.89Å; R523-E526 PolarHBondContact O-N 3.27Å; I524-E526 VanDerWaalsContact C-N 3.33Å; I524-E526 PolarHBondContact O-N 3.39Å; E526-V528 PolarHBondContact O-N 3.46Å; E526-L529 PolarHBondContact O-N 2.98Å; E526-E530 WeakPolarHBondContact O-CG 3.49Å; E526-E530 PolarHBondContact O-N 3.13Å; E526-L587 HydrophobicContact CB-CD1 4.39Å; E526-L587 HydrophobicContact CB-CD2 3.77Å; E526-L587 HydrophobicContact CG-CD1 3.9Å; E526-L587 HydrophobicContact CG-CD2 4.16Å; E526-L587 WeakPolarHBondContact OE1-CD1 3.32Å; E526-K591 IonicContact OE1-NZ 3.94Å
527Q97.6Very high96.2Very high29 Ų2931.9 Ų31.914%0.13615%0.151CC..Hα-helixtrans-65.5-39.7-178.2-69.2-61.8-71.200112.8L491 R523 I524 I525 E530 R531 L537L491-Q527 HydrophobicContact CD2-CG 4.22Å; R523-Q527 HydrophobicContact CG-CG 4.48Å; R523-Q527 WeakPolarHBondContact O-CG 3.46Å; R523-Q527 PolarHBondContact O-N 3.37Å; I524-Q527 PolarHBondContact O-N 3.16Å; I525-Q527 PolarHBondContact O-N 2.97Å; Q527-E530 PolarHBondContact NE2-OE2 3.46Å; Q527-R531 WeakPolarHBondContact O-CG 3.45Å; Q527-R531 PolarHBondContact O-N 2.95Å; Q527-L537 HydrophobicContact CB-CD1 4.17Å; Q527-L537 HydrophobicContact CB-CD2 4.23Å
528V97.6Very high96Very high0 Ų037.5 Ų37.50%018%0.181CC..Hα-helixtrans-69.6-40177.4174.90000110.8Y194 F229 I524 I525 E526 E530 R531 R532 S533 W534 L537Y194-V528 HydrophobicContact CD1-CG1 3.51Å; Y194-V528 HydrophobicContact CD2-CG1 4.14Å; Y194-V528 HydrophobicContact CE1-CG1 3.8Å; Y194-V528 HydrophobicContact CE2-CG1 4.38Å; Y194-V528 HydrophobicContact CG-CG1 3.69Å; F229-V528 HydrophobicContact CE1-CB 3.79Å; F229-V528 HydrophobicContact CE1-CG1 3.59Å; F229-V528 HydrophobicContact CZ-CB 4.22Å; F229-V528 HydrophobicContact CZ-CG1 3.9Å; I524-V528 HydrophobicContact CG2-CG2 4.28Å; I524-V528 WeakPolarHBondContact O-CG2 3.32Å; I524-V528 PolarHBondContact O-N 3.47Å; I525-V528 PolarHBondContact O-N 2.99Å; E526-V528 PolarHBondContact O-N 3.46Å; V528-E530 PolarHBondContact O-N 3.09Å; V528-R531 PolarHBondContact O-N 3.49Å; V528-R532 WeakPolarHBondContact O-CA 3.48Å; V528-R532 PolarHBondContact O-N 3.34Å; V528-S533 PolarHBondContact O-N 3.35Å; V528-W534 HydrophobicContact CG2-CD2 3.9Å; V528-W534 HydrophobicContact CG2-CE3 3.68Å; V528-W534 HydrophobicContact CG2-CH2 4.03Å; V528-W534 HydrophobicContact CG2-CZ2 4.26Å; V528-W534 HydrophobicContact CG2-CZ3 3.77Å; V528-L537 HydrophobicContact CG2-CD1 3.65Å
529L95.8Very high95.7Very high10 Ų1041.4 Ų41.45%0.05220%0.199CC..Hα-helixtrans-62.3-42175.2-75.4168.6000112.4F229 I525 E526 R531 I568 Y593 F595F229-L529 HydrophobicContact CE2-CD2 3.69Å; F229-L529 HydrophobicContact CE2-CG 3.98Å; F229-L529 HydrophobicContact CZ-CD2 3.83Å; F229-L529 HydrophobicContact CZ-CG 3.78Å; I525-L529 HydrophobicContact CG2-CD1 3.64Å; I525-L529 HydrophobicContact CG2-CG 4.24Å; I525-L529 WeakPolarHBondContact O-CB 3.38Å; I525-L529 VanDerWaalsContact O-CG 3.23Å; I525-L529 WeakPolarHBondContact O-CG 3.25Å; I525-L529 PolarHBondContact O-N 3.02Å; E526-L529 PolarHBondContact O-N 2.98Å; L529-R531 VanDerWaalsContact C-N 3.27Å; L529-R531 PolarHBondContact O-N 3.38Å; L529-I568 HydrophobicContact CD1-CD1 3.52Å; L529-I568 HydrophobicContact CD2-CD1 3.65Å; L529-I568 HydrophobicContact CD2-CG1 4.29Å; L529-I568 HydrophobicContact CG-CD1 4.24Å; L529-Y593 HydrophobicContact CD1-CD2 4.4Å; L529-Y593 HydrophobicContact CD1-CE2 4.28Å; L529-F595 HydrophobicContact CD1-CE1 4.16Å; L529-F595 HydrophobicContact CD1-CZ 3.95Å
530E94.6Very high95.5Very high101 Ų10141.6 Ų41.647%0.47220%0.2SC..Hα-helixtrans-63.4-33.3178.5-75.9-179.8164.300112.7E526 Q527 V528 K591E526-E530 WeakPolarHBondContact O-CG 3.49Å; E526-E530 PolarHBondContact O-N 3.13Å; Q527-E530 PolarHBondContact NE2-OE2 3.46Å; V528-E530 PolarHBondContact O-N 3.09Å; E530-K591 IonicContact OE1-NZ 3.85Å; E530-K591 PolarHBondContact OE1-NZ 2.79Å
531R93.5Very high95.3Very high99 Ų9941.9 Ų41.937%0.37420%0.202SC..Hα-helixtrans-103.6-10.2-175.9-61.8179.6-172.614512.7114.4Q527 V528 L529 S533 Q535Q527-R531 WeakPolarHBondContact O-CG 3.45Å; Q527-R531 PolarHBondContact O-N 2.95Å; V528-R531 PolarHBondContact O-N 3.49Å; L529-R531 VanDerWaalsContact C-N 3.27Å; L529-R531 PolarHBondContact O-N 3.38Å; R531-S533 PolarHBondContact O-N 3.48Å; R531-S533 VanDerWaalsContact O-N 3.12Å; R531-S533 PolarHBondContact O-OG 2.98Å; R531-Q535 WeakPolarHBondContact CD-O 3.38Å; R531-Q535 PolarHBondContact NH1-O 3.13Å
532R91.2Very high95.1Very high138 Ų13850 Ų5052%0.52123%0.232SC..THydrogen-bonded Turntrans48.431.5-168.4-57-176.7175.6-154.6-2.4113.3Y194 V528 E557Y194-R532 PolarHBondContact OH-O 3.04Å; V528-R532 WeakPolarHBondContact O-CA 3.48Å; V528-R532 PolarHBondContact O-N 3.34Å; R532-E557 IonicContact NH1-OE1 3.54Å; R532-E557 PolarHBondContact NH1-OE1 2.91Å
533S93.6Very high94.7Very high31 Ų3151.5 Ų51.522%0.21724%0.24CC..SBendtrans-169.9165.1-176.262.60000110.8V528 R531 Q535V528-S533 PolarHBondContact O-N 3.35Å; R531-S533 PolarHBondContact O-N 3.48Å; R531-S533 VanDerWaalsContact O-N 3.12Å; R531-S533 PolarHBondContact O-OG 2.98Å; S533-Q535 PolarHBondContact O-N 3.27Å; S533-Q535 WeakPolarHBondContact OG-CB 3.02Å; S533-Q535 PolarHBondContact OG-N 3.48Å
534W94.8Very high94.4Very high18 Ų1851.9 Ų51.97%0.06824%0.244CC..  trans-77.45.4171-65.8103.1000113.7G195 I196 I524 V528 G536 L537 V541 D548 F549G195-W534 WeakPolarHBondContact O-CZ2 3.21Å; I196-W534 HydrophobicContact CB-CH2 3.66Å; I196-W534 HydrophobicContact CB-CZ2 4.11Å; I196-W534 HydrophobicContact CB-CZ3 4.4Å; I196-W534 HydrophobicContact CD1-CH2 4.05Å; I196-W534 HydrophobicContact CD1-CZ3 3.95Å; I196-W534 HydrophobicContact CG1-CH2 4.38Å; I196-W534 HydrophobicContact CG2-CH2 3.93Å; I524-W534 HydrophobicContact CG2-CH2 3.59Å; I524-W534 HydrophobicContact CG2-CZ3 3.45Å; I524-W534 VanDerWaalsContact CG2-CZ3 3.45Å; V528-W534 HydrophobicContact CG2-CD2 3.9Å; V528-W534 HydrophobicContact CG2-CE3 3.68Å; V528-W534 HydrophobicContact CG2-CH2 4.03Å; V528-W534 HydrophobicContact CG2-CZ2 4.26Å; V528-W534 HydrophobicContact CG2-CZ3 3.77Å; W534-G536 PolarHBondContact O-N 3.45Å; W534-L537 HydrophobicContact CE3-CB 4.34Å; W534-L537 HydrophobicContact CE3-CD1 3.72Å; W534-L537 HydrophobicContact CZ3-CD1 4.12Å; W534-L537 WeakPolarHBondContact O-CB 3.44Å; W534-L537 PolarHBondContact O-N 2.91Å; W534-V541 HydrophobicContact CE3-CG2 4.36Å; W534-D548 WeakPolarHBondContact CB-OD2 3.13Å; W534-D548 VanDerWaalsContact CD1-OD2 3.29Å; W534-D548 HydrophobicContact CD2-CB 3.86Å; W534-D548 HydrophobicContact CE3-CB 4.24Å; W534-D548 HydrophobicContact CG-CB 4.14Å; W534-D548 VanDerWaalsContact CG-OD2 3.25Å; W534-D548 HydrophobicContact CZ2-CB 4.3Å; W534-F549 PolarHBondContact NE1-O 2.86Å
535Q92.6Very high93.9Very high145 Ų14559.2 Ų59.268%0.67828%0.283SS*.THydrogen-bonded Turntrans-56.2128.3-176.5-170.2178.913.600111.2R531 S533 L537R531-Q535 WeakPolarHBondContact CD-O 3.38Å; R531-Q535 PolarHBondContact NH1-O 3.13Å; S533-Q535 PolarHBondContact O-N 3.27Å; S533-Q535 WeakPolarHBondContact OG-CB 3.02Å; S533-Q535 PolarHBondContact OG-N 3.48Å; Q535-L537 VanDerWaalsContact C-N 3.31Å
536G91.9Very high93.5Very high36 Ų3660.7 Ų60.737%0.37129%0.293SS..THydrogen-bonded Turntrans82.54.6-179.200000114.5W534 D538W534-G536 PolarHBondContact O-N 3.45Å; G536-D538 PolarHBondContact N-OD2 3.26Å
537L94.9Very high93.1Very high2 Ų261.6 Ų61.61%0.0130%0.302CS..  trans-107.13.6173-58.7178.6000113L491 Q527 V528 W534 Q535 E539 V540 V541L491-L537 HydrophobicContact CD2-CD2 3.67Å; Q527-L537 HydrophobicContact CB-CD1 4.17Å; Q527-L537 HydrophobicContact CB-CD2 4.23Å; V528-L537 HydrophobicContact CG2-CD1 3.65Å; W534-L537 HydrophobicContact CE3-CB 4.34Å; W534-L537 HydrophobicContact CE3-CD1 3.72Å; W534-L537 HydrophobicContact CZ3-CD1 4.12Å; W534-L537 WeakPolarHBondContact O-CB 3.44Å; W534-L537 PolarHBondContact O-N 2.91Å; Q535-L537 VanDerWaalsContact C-N 3.31Å; L537-E539 VanDerWaalsContact C-N 3.26Å; L537-E539 PolarHBondContact O-N 3.43Å; L537-V540 HydrophobicContact CD2-CG2 4.42Å; L537-V540 WeakPolarHBondContact O-CA 3.48Å; L537-V540 WeakPolarHBondContact O-CB 3.33Å; L537-V540 PolarHBondContact O-N 3Å; L537-V541 PolarHBondContact O-N 2.9Å
538D93.3Very high92.9Very high118 Ų11863.3 Ų63.363%0.63131%0.312SS*.Hα-helixtrans-53.9-42.4-176.8-48.1-96.3000112.6G536 R542G536-D538 PolarHBondContact N-OD2 3.26Å; D538-R542 WeakPolarHBondContact O-CB 3.48Å; D538-R542 PolarHBondContact O-N 3.04Å
539E91.9Very high92.9Very high82 Ų8264.7 Ų64.738%0.38332%0.318SS..Hα-helixtrans-67.2-36.5177.2-178.3175.3-155.600112.2K490 L537 L543K490-E539 IonicContact NZ-OE2 3.1Å; K490-E539 PolarHBondContact NZ-OE2 3.3Å; L537-E539 VanDerWaalsContact C-N 3.26Å; L537-E539 PolarHBondContact O-N 3.43Å; E539-L543 HydrophobicContact CG-CD1 4.08Å; E539-L543 WeakPolarHBondContact O-CB 3.34Å; E539-L543 VanDerWaalsContact O-CG 3.23Å; E539-L543 WeakPolarHBondContact O-CG 3.48Å; E539-L543 PolarHBondContact O-N 3.15Å
540V94.8Very high92.8Very high3 Ų366.9 Ų66.92%0.01834%0.338CS..Hα-helixtrans-67.6-50.2178.4173.50000109.8I487 K490 L491 L537 R542 L543 L544I487-V540 HydrophobicContact CG1-CG1 4.45Å; I487-V540 HydrophobicContact CG2-CG1 4.16Å; K490-V540 HydrophobicContact CB-CG2 4.38Å; K490-V540 HydrophobicContact CG-CG2 3.9Å; L491-V540 HydrophobicContact CD1-CG1 4.03Å; L491-V540 HydrophobicContact CD1-CG2 4.21Å; L491-V540 HydrophobicContact CD2-CG2 4.1Å; L491-V540 HydrophobicContact CG-CG2 4Å; L537-V540 HydrophobicContact CD2-CG2 4.42Å; L537-V540 WeakPolarHBondContact O-CA 3.48Å; L537-V540 WeakPolarHBondContact O-CB 3.33Å; L537-V540 PolarHBondContact O-N 3Å; V540-R542 VanDerWaalsContact C-N 3.27Å; V540-R542 PolarHBondContact O-N 3Å; V540-L543 PolarHBondContact O-N 2.96Å; V540-L543 VanDerWaalsContact O-N 3.09Å; V540-L544 HydrophobicContact CG1-CD1 3.72Å; V540-L544 HydrophobicContact CG1-CG 4.39Å; V540-L544 WeakPolarHBondContact O-CG 3.45Å; V540-L544 PolarHBondContact O-N 3.26Å
541V93.8Very high92.8Very high11 Ų1165.6 Ų65.67%0.06733%0.331CS..Hα-helixtrans-56.5-44.1177.7175.40000110.6I196 W534 L537 L543 L544 N545 C546 D548I196-V541 HydrophobicContact CD1-CG2 4.32Å; W534-V541 HydrophobicContact CE3-CG2 4.36Å; L537-V541 PolarHBondContact O-N 2.9Å; V541-L543 PolarHBondContact O-N 3.36Å; V541-L544 PolarHBondContact O-N 2.88Å; V541-N545 PolarHBondContact O-N 2.99Å; V541-C546 WeakPolarHBondContact CG1-O 3.29Å; V541-C546 PolarHBondContact O-N 3.31Å; V541-D548 HydrophobicContact CG1-CB 4.35Å; V541-D548 HydrophobicContact CG2-CB 4.12Å
542R92.6Very high92.7Very high173 Ų17363 Ų6365%0.65333%0.326SS*.Hα-helixtrans-61.6-43.2175.7-173.7-175.764.7-177.9-3112.9D538 V540 L544 N545D538-R542 WeakPolarHBondContact O-CB 3.48Å; D538-R542 PolarHBondContact O-N 3.04Å; V540-R542 VanDerWaalsContact C-N 3.27Å; V540-R542 PolarHBondContact O-N 3Å; R542-L544 VanDerWaalsContact C-N 3.3Å; R542-L544 PolarHBondContact O-N 2.96Å; R542-N545 PolarHBondContact O-N 3.28Å; R542-N545 VanDerWaalsContact O-N 3.16Å
543L91.6Very high92.5Very high33 Ų3358 Ų5817%0.17331%0.309CS..Hα-helixtrans-69.8-27.9179.7-73.7169.7000112.9N483 A486 I487 E539 V540 V541N483-L543 HydrophobicContact CB-CB 4.36Å; N483-L543 HydrophobicContact CB-CD2 4.31Å; N483-L543 PolarHBondContact ND2-O 3.17Å; A486-L543 HydrophobicContact CB-CD1 3.73Å; I487-L543 HydrophobicContact CD1-CB 3.81Å; I487-L543 HydrophobicContact CG1-CB 3.84Å; I487-L543 HydrophobicContact CG1-CD1 3.92Å; E539-L543 HydrophobicContact CG-CD1 4.08Å; E539-L543 WeakPolarHBondContact O-CB 3.34Å; E539-L543 VanDerWaalsContact O-CG 3.23Å; E539-L543 WeakPolarHBondContact O-CG 3.48Å; E539-L543 PolarHBondContact O-N 3.15Å; V540-L543 PolarHBondContact O-N 2.96Å; V540-L543 VanDerWaalsContact O-N 3.09Å; V541-L543 PolarHBondContact O-N 3.36Å
544L91.6Very high92.2Very high40 Ų4062.2 Ų62.221%0.20933%0.327CS..Hα-helixtrans-78.5-9.1172.8-68.5169.8000113I196 V235 I487 L520 I524 V540 V541 R542 C546I196-L544 HydrophobicContact CD1-CD1 4.27Å; V235-L544 HydrophobicContact CG1-CD1 4.03Å; V235-L544 WeakPolarHBondContact O-CD2 3.46Å; I487-L544 HydrophobicContact CD1-CD2 3.56Å; I487-L544 HydrophobicContact CD1-CG 3.74Å; L520-L544 HydrophobicContact CD2-CD1 4.37Å; L520-L544 HydrophobicContact CD2-CD2 3.85Å; I524-L544 HydrophobicContact CD1-CD1 4.18Å; V540-L544 HydrophobicContact CG1-CD1 3.72Å; V540-L544 HydrophobicContact CG1-CG 4.39Å; V540-L544 WeakPolarHBondContact O-CG 3.45Å; V540-L544 PolarHBondContact O-N 3.26Å; V541-L544 PolarHBondContact O-N 2.88Å; R542-L544 VanDerWaalsContact C-N 3.3Å; R542-L544 PolarHBondContact O-N 2.96Å; L544-C546 VanDerWaalsContact CB-SG 3.52Å; L544-C546 PolarHBondContact O-N 3.41Å
545N88.6Confident91.7Very high154 Ų15465.6 Ų65.682%0.82435%0.35SS*.THydrogen-bonded Turntrans52.438.5-177.5-168.542.3000112.7V541 R542V541-N545 PolarHBondContact O-N 2.99Å; R542-N545 PolarHBondContact O-N 3.28Å; R542-N545 VanDerWaalsContact O-N 3.16Å
546C88.9Confident91.4Very high31 Ų3160.8 Ų60.821%0.20933%0.327CS..  trans-122.2172.2179.865.40000110.8I196 V235 V541 L544I196-C546 HydrophobicContact CG1-CB 4.49Å; I196-C546 WeakPolarHBondContact CG1-SG 3.37Å; V235-C546 HydrophobicContact CG2-CB 4.49Å; V541-C546 WeakPolarHBondContact CG1-O 3.29Å; V541-C546 PolarHBondContact O-N 3.31Å; L544-C546 VanDerWaalsContact CB-SG 3.52Å; L544-C546 PolarHBondContact O-N 3.41Å
547S89.1Confident91.1Very high39 Ų3960.4 Ų60.427%0.27332%0.315SS..  trans-109136.8173.954.20000110.2I196 G197I196-S547 WeakPolarHBondContact CA-O 3.4Å; G197-S547 PolarHBondContact N-O 3.32Å
548D94.9Very high90.8Very high66 Ų6667 Ų6735%0.35335%0.351SS..EExtended strand (participates in β ladder)trans-101.1163.8169.468.1-63.2000111.7G195 W534 V541G195-D548 CarbonylContact O-C 3.5Å; G195-D548 VanDerWaalsContact O-CA 3.25Å; G195-D548 WeakPolarHBondContact O-CA 3.29Å; W534-D548 WeakPolarHBondContact CB-OD2 3.13Å; W534-D548 VanDerWaalsContact CD1-OD2 3.29Å; W534-D548 HydrophobicContact CD2-CB 3.86Å; W534-D548 HydrophobicContact CE3-CB 4.24Å; W534-D548 HydrophobicContact CG-CB 4.14Å; W534-D548 VanDerWaalsContact CG-OD2 3.25Å; W534-D548 HydrophobicContact CZ2-CB 4.3Å; V541-D548 HydrophobicContact CG1-CB 4.35Å; V541-D548 HydrophobicContact CG2-CB 4.12Å
549F96.4Very high90.4Very high28 Ų2867.7 Ų67.712%0.12335%0.348CS..EExtended strand (participates in β ladder)trans-149.4152.7166.963.5-88.2000110.5Y194 G195 A200 K201 Y204 L230 W534Y194-F549 WeakPolarHBondContact CA-O 3.37Å; G195-F549 VanDerWaalsContact CA-CE1 3.43Å; G195-F549 VanDerWaalsContact CA-CZ 3.49Å; G195-F549 PolarHBondContact N-O 3.46Å; G195-F549 PolarHBondContact O-N 2.97Å; A200-F549 HydrophobicContact CB-CE1 4.08Å; K201-F549 HydrophobicContact CB-CD1 4.15Å; K201-F549 HydrophobicContact CB-CE1 4.09Å; K201-F549 HydrophobicContact CG-CD1 4.48Å; Y204-F549 HydrophobicContact CD1-CD2 4.02Å; Y204-F549 AromaticContact CD1-CE2 3.75Å; Y204-F549 HydrophobicContact CD1-CE2 3.75Å; Y204-F549 HydrophobicContact CD1-CZ 4.27Å; Y204-F549 AromaticContact CD2-CE2 3.88Å; Y204-F549 HydrophobicContact CD2-CE2 3.88Å; Y204-F549 HydrophobicContact CD2-CZ 4.47Å; Y204-F549 HydrophobicContact CE1-CD2 4.25Å; Y204-F549 HydrophobicContact CE1-CE2 4.27Å; Y204-F549 HydrophobicContact CE2-CE2 4.39Å; Y204-F549 HydrophobicContact CG-CD2 4.26Å; Y204-F549 AromaticContact CG-CE2 3.52Å; Y204-F549 HydrophobicContact CG-CE2 3.52Å; Y204-F549 AromaticContact CG-CZ 3.87Å; Y204-F549 HydrophobicContact CG-CZ 3.87Å; L230-F549 HydrophobicContact CB-CZ 4.4Å; W534-F549 PolarHBondContact NE1-O 2.86Å
550A95.3Very high90.3Very high57 Ų5764.6 Ų64.647%0.47134%0.336SS..EExtended strand (participates in β ladder)trans-140.6140.9171.200000109.9C193 Y194C193-A550 CarbonylContact O-C 3.46Å; C193-A550 WeakPolarHBondContact O-CA 3.34Å; Y194-A550 HydrophobicContact CD1-CB 3.86Å; Y194-A550 HydrophobicContact CE1-CB 4.24Å
551F92.6Very high90Very high73 Ų7367 Ų6732%0.3235%0.353SS..EExtended strand (participates in β ladder)trans-141.4131175175.3-95.1000109.6C193 Y204 D553C193-F551 HydrophobicContact CB-CB 4.39Å; C193-F551 PolarHBondContact N-O 2.99Å; C193-F551 PolarHBondContact O-N 2.81Å; Y204-F551 VanDerWaalsContact OH-CB 3.3Å; Y204-F551 WeakPolarHBondContact OH-CB 3.34Å; Y204-F551 VanDerWaalsContact OH-CG 3.31Å; Y204-F551 WeakPolarHBondContact OH-CG 3.33Å; F551-D553 HydrophobicContact CE1-CB 3.88Å; F551-D553 HydrophobicContact CZ-CB 4.19Å
552T91.5Very high89.9Confident45 Ų4570.7 Ų70.728%0.27638%0.38SS..EExtended strand (participates in β ladder)trans-128122.1175.9-64.60000109.5P191 N192 M554 E557P191-T552 CarbonylContact O-C 3.58Å; P191-T552 WeakPolarHBondContact O-CA 3.38Å; N192-T552 WeakPolarHBondContact OD1-CG2 3.48Å; N192-T552 PolarHBondContact OD1-OG1 3.22Å; T552-M554 HydrophobicContact CG2-CE 3.68Å; T552-M554 HydrophobicContact CG2-SD 3.88Å; T552-E557 VanDerWaalsContact CG2-OE2 3.27Å; T552-E557 WeakPolarHBondContact CG2-OE2 3.39Å
553D87.3Confident89.8Confident32 Ų3267.9 Ų67.917%0.17137%0.374CS..  trans-95.295.4171-172.8-24.6000109.7P191 F551 T555 K556 E557P191-D553 PolarHBondContact O-N 3.23Å; F551-D553 HydrophobicContact CE1-CB 3.88Å; F551-D553 HydrophobicContact CZ-CB 4.19Å; D553-T555 PolarHBondContact O-N 3.12Å; D553-T555 WeakPolarHBondContact OD1-CB 3.35Å; D553-T555 PolarHBondContact OD1-N 3.05Å; D553-T555 PolarHBondContact OD1-OG1 3.43Å; D553-K556 HydrophobicContact CB-CB 4.12Å; D553-K556 HydrophobicContact CB-CD 3.95Å; D553-K556 HydrophobicContact CB-CG 4.18Å; D553-K556 PolarHBondContact O-N 3.38Å; D553-K556 PolarHBondContact OD1-N 3.45Å; D553-K556 WeakPolarHBondContact OD2-CD 3.45Å; D553-K556 WeakPolarHBondContact OD2-CE 3.45Å; D553-K556 WeakPolarHBondContact OD2-CG 3.31Å; D553-K556 IonicContact OD2-NZ 3.6Å; D553-E557 PolarHBondContact O-N 2.69Å
554M87.6Confident89.8Confident121 Ų12166.9 Ų66.960%0.59637%0.37SS*.Hα-helixtrans-56.1-34.6-179-63.1-64.5172.200112.4T552 K556 E557 D558T552-M554 HydrophobicContact CG2-CE 3.68Å; T552-M554 HydrophobicContact CG2-SD 3.88Å; M554-K556 VanDerWaalsContact C-N 3.31Å; M554-K556 PolarHBondContact O-N 3.04Å; M554-E557 PolarHBondContact O-N 3.43Å; M554-D558 WeakPolarHBondContact O-CB 3.15Å; M554-D558 VanDerWaalsContact O-CG 3.29Å; M554-D558 PolarHBondContact O-N 2.81Å
555T84.8Confident89.9Confident88 Ų8866.6 Ų66.654%0.5437%0.368SS..Hα-helixtrans-70.2-30.7-178.873.50000112.6D553 K559D553-T555 PolarHBondContact O-N 3.12Å; D553-T555 WeakPolarHBondContact OD1-CB 3.35Å; D553-T555 PolarHBondContact OD1-N 3.05Å; D553-T555 PolarHBondContact OD1-OG1 3.43Å; T555-K559 WeakPolarHBondContact O-CD 3.3Å; T555-K559 WeakPolarHBondContact O-CG 3.38Å
556K85.4Confident90.2Very high44 Ų4462 Ų6219%0.19134%0.339CS..Hα-helixtrans-82.1-37.4174.4-67.2176.5-178.4171.30110.9P189 P191 P223 D553 M554 K559 A560P189-K556 HydrophobicContact CB-CD 3.68Å; P189-K556 HydrophobicContact CG-CD 3.64Å; P189-K556 HydrophobicContact CG-CG 4.2Å; P191-K556 HydrophobicContact CB-CB 4.18Å; P191-K556 HydrophobicContact CG-CB 4.17Å; P223-K556 HydrophobicContact CG-CB 4.32Å; P223-K556 WeakPolarHBondContact CG-O 3.29Å; D553-K556 HydrophobicContact CB-CB 4.12Å; D553-K556 HydrophobicContact CB-CD 3.95Å; D553-K556 HydrophobicContact CB-CG 4.18Å; D553-K556 PolarHBondContact O-N 3.38Å; D553-K556 PolarHBondContact OD1-N 3.45Å; D553-K556 WeakPolarHBondContact OD2-CD 3.45Å; D553-K556 WeakPolarHBondContact OD2-CE 3.45Å; D553-K556 WeakPolarHBondContact OD2-CG 3.31Å; D553-K556 IonicContact OD2-NZ 3.6Å; M554-K556 VanDerWaalsContact C-N 3.31Å; M554-K556 PolarHBondContact O-N 3.04Å; K556-K559 PolarHBondContact O-N 2.86Å; K556-K559 VanDerWaalsContact O-N 3.14Å; K556-A560 PolarHBondContact O-N 3.45Å; K556-A560 VanDerWaalsContact O-N 3.17Å
557E87.3Confident90.6Very high28 Ų2860.9 Ų60.913%0.13133%0.331CS..Hα-helixtrans-61.4-44.4177-166.1174.3168.900111.3P191 N192 R532 T552 D553 M554 K559 A560 L565P191-E557 HydrophobicContact CB-CB 3.95Å; P191-E557 HydrophobicContact CB-CG 4.49Å; N192-E557 PolarHBondContact OD1-OE2 3.36Å; R532-E557 IonicContact NH1-OE1 3.54Å; R532-E557 PolarHBondContact NH1-OE1 2.91Å; T552-E557 VanDerWaalsContact CG2-OE2 3.27Å; T552-E557 WeakPolarHBondContact CG2-OE2 3.39Å; D553-E557 PolarHBondContact O-N 2.69Å; M554-E557 PolarHBondContact O-N 3.43Å; E557-K559 PolarHBondContact O-N 3.27Å; E557-K559 VanDerWaalsContact O-N 3.16Å; E557-A560 VanDerWaalsContact O-CB 3.3Å; E557-A560 WeakPolarHBondContact O-CB 3.34Å; E557-A560 PolarHBondContact O-N 2.96Å; E557-L565 HydrophobicContact CG-CD2 3.92Å
558D87.7Confident91Very high141 Ų14159 Ų5975%0.75432%0.318SS*.THydrogen-bonded Turntrans-61.3-24.4176.3-73.9-19.4000113.3M554M554-D558 WeakPolarHBondContact O-CB 3.15Å; M554-D558 VanDerWaalsContact O-CG 3.29Å; M554-D558 PolarHBondContact O-N 2.81Å
559K85.7Confident91.2Very high133 Ų13356 Ų5658%0.57830%0.302SS*.THydrogen-bonded Turntrans-88.4-14176.3-68.7174.3-176.1172.70113.1T555 K556 E557T555-K559 WeakPolarHBondContact O-CD 3.3Å; T555-K559 WeakPolarHBondContact O-CG 3.38Å; K556-K559 PolarHBondContact O-N 2.86Å; K556-K559 VanDerWaalsContact O-N 3.14Å; E557-K559 PolarHBondContact O-N 3.27Å; E557-K559 VanDerWaalsContact O-N 3.16Å
560A88.1Confident91.3Very high16 Ų1654.6 Ų54.613%0.13230%0.296CS..SBendtrans-76.6145.1-178.600000110.7P191 P223 K556 E557 L565P191-A560 HydrophobicContact CG-CB 4.4Å; P223-A560 HydrophobicContact CB-CB 4.01Å; P223-A560 HydrophobicContact CG-CB 4.1Å; K556-A560 PolarHBondContact O-N 3.45Å; K556-A560 VanDerWaalsContact O-N 3.17Å; E557-A560 VanDerWaalsContact O-CB 3.3Å; E557-A560 WeakPolarHBondContact O-CB 3.34Å; E557-A560 PolarHBondContact O-N 2.96Å; A560-L565 HydrophobicContact CB-CD2 3.88Å; A560-L565 HydrophobicContact CB-CG 4.07Å
561S90.1Very high91.5Very high54 Ų5452 Ų5238%0.37828%0.275SS..  trans-77.116017380.40000111E563 S564 L565S561-E563 PolarHBondContact O-N 3.24Å; S561-E563 PolarHBondContact OG-N 3.23Å; S561-S564 WeakPolarHBondContact O-CB 3.33Å; S561-S564 PolarHBondContact O-N 3.41Å; S561-S564 VanDerWaalsContact O-N 3.13Å; S561-S564 PolarHBondContact OG-N 2.84Å; S561-S564 PolarHBondContact OG-OG 2.75Å; S561-L565 WeakPolarHBondContact O-CG 3.48Å; S561-L565 PolarHBondContact O-N 3.38Å
562S90.1Very high91.8Very high88 Ų8848.7 Ų48.762%0.61526%0.26SS*.THydrogen-bonded Turntrans-61.8-22.3172.6-176.90000113.2R566S562-R566 WeakPolarHBondContact O-CG 3.46Å; S562-R566 PolarHBondContact O-NE 2.86Å; S562-R566 VanDerWaalsContact O-NE 3.09Å
563E91.6Very high92.1Very high114 Ų11446.6 Ų46.653%0.53325%0.247SC..THydrogen-bonded Turntrans-77.1-43.5173.7-69.5-178.9171.900110.8P10 S561 L565 R566 L567P10-E563 HydrophobicContact CB-CB 4.12Å; S561-E563 PolarHBondContact O-N 3.24Å; S561-E563 PolarHBondContact OG-N 3.23Å; E563-L565 VanDerWaalsContact C-N 3.32Å; E563-L565 PolarHBondContact O-N 2.86Å; E563-R566 WeakPolarHBondContact O-CA 3.42Å; E563-R566 WeakPolarHBondContact O-CB 3.39Å; E563-R566 PolarHBondContact O-N 3.01Å; E563-L567 PolarHBondContact O-N 2.91Å
564S91.9Very high92.6Very high13 Ų1345.2 Ų45.29%0.09124%0.24CC..G310 helixtrans-59.2-42.8176.3-50.50000111.6P223 E224 G226 S561 R566 L567P223-S564 VanDerWaalsContact O-CB 3.29Å; P223-S564 WeakPolarHBondContact O-CB 3.45Å; P223-S564 PolarHBondContact O-OG 2.77Å; E224-S564 VanDerWaalsContact O-CA 3.32Å; E224-S564 WeakPolarHBondContact O-CA 3.49Å; E224-S564 WeakPolarHBondContact O-CB 3.3Å; G226-S564 VanDerWaalsContact CA-O 3.29Å; G226-S564 WeakPolarHBondContact CA-O 3.01Å; G226-S564 PolarHBondContact N-O 3.42Å; S561-S564 WeakPolarHBondContact O-CB 3.33Å; S561-S564 PolarHBondContact O-N 3.41Å; S561-S564 VanDerWaalsContact O-N 3.13Å; S561-S564 PolarHBondContact OG-N 2.84Å; S561-S564 PolarHBondContact OG-OG 2.75Å; S564-R566 PolarHBondContact O-N 3.35Å; S564-R566 VanDerWaalsContact O-N 3.13Å; S564-L567 WeakPolarHBondContact O-CB 3.35Å; S564-L567 PolarHBondContact O-N 2.88Å
565L93Very high93.1Very high33 Ų3339.5 Ų39.517%0.17321%0.212CC..G310 helixtrans-65.3-11.8174.6-64.5178.5000113.9H227 E557 A560 S561 E563H227-L565 PolarHBondContact CD2-O 2.91Å; H227-L565 PolarHBondContact NE2-O 2.81Å; H227-L565 VanDerWaalsContact NE2-O 3.15Å; E557-L565 HydrophobicContact CG-CD2 3.92Å; A560-L565 HydrophobicContact CB-CD2 3.88Å; A560-L565 HydrophobicContact CB-CG 4.07Å; S561-L565 WeakPolarHBondContact O-CG 3.48Å; S561-L565 PolarHBondContact O-N 3.38Å; E563-L565 VanDerWaalsContact C-N 3.32Å; E563-L565 PolarHBondContact O-N 2.86Å
566R95.3Very high93.7Very high57 Ų5735.3 Ų35.322%0.21519%0.187CC..G310 helixtrans-100.4-0.9173.9-67-177.6-66.2152.83.8113.1D8 P10 S562 E563 S564 Y593 R594D8-R566 PolarHBondContact O-NH1 3.24Å; D8-R566 PolarHBondContact O-NH2 3.14Å; P10-R566 HydrophobicContact CG-CB 3.92Å; S562-R566 WeakPolarHBondContact O-CG 3.46Å; S562-R566 PolarHBondContact O-NE 2.86Å; S562-R566 VanDerWaalsContact O-NE 3.09Å; E563-R566 WeakPolarHBondContact O-CA 3.42Å; E563-R566 WeakPolarHBondContact O-CB 3.39Å; E563-R566 PolarHBondContact O-N 3.01Å; S564-R566 PolarHBondContact O-N 3.35Å; S564-R566 VanDerWaalsContact O-N 3.13Å; R566-Y593 HydrophobicContact CB-CD1 4.14Å; R566-Y593 HydrophobicContact CG-CD1 4.23Å; R566-Y593 HydrophobicContact CG-CE1 4.4Å; R566-Y593 WeakPolarHBondContact O-CA 3.38Å; R566-R594 PolarHBondContact O-N 3.02Å
567L97.2Very high94.4Very high9 Ų933.3 Ų33.35%0.04718%0.178CC..EExtended strand (participates in β ladder)trans-95.3125.3172-71.7166.6000110.3P10 L12 E224 I225 G226 H227 E563 S564 R594 I596P10-L567 HydrophobicContact CB-CD1 4.3Å; P10-L567 HydrophobicContact CB-CD2 4.07Å; P10-L567 HydrophobicContact CB-CG 3.89Å; P10-L567 HydrophobicContact CG-CD2 3.82Å; P10-L567 HydrophobicContact CG-CG 3.83Å; L12-L567 HydrophobicContact CD2-CD2 4.2Å; E224-L567 VanDerWaalsContact O-CD1 3.24Å; E224-L567 WeakPolarHBondContact O-CD1 3.34Å; I225-L567 HydrophobicContact CG2-CB 4.46Å; G226-L567 PolarHBondContact N-O 2.88Å; H227-L567 PolarHBondContact N-O 3.14Å; E563-L567 PolarHBondContact O-N 2.91Å; S564-L567 WeakPolarHBondContact O-CB 3.35Å; S564-L567 PolarHBondContact O-N 2.88Å; L567-R594 WeakPolarHBondContact CA-O 3.36Å; L567-R594 HydrophobicContact CD2-CB 3.9Å; L567-R594 HydrophobicContact CD2-CG 4.44Å; L567-I596 HydrophobicContact CD2-CD1 4.49Å
568I98.3Very high94.9Very high0 Ų032.2 Ų32.20%017%0.173CC..EExtended strand (participates in β ladder)trans-127118.1-171.7-54.5166.7000109.2H227 F229 L529 V570 Y593 R594 F595 I596H227-I568 HydrophobicContact CB-CB 4.47Å; H227-I568 HydrophobicContact CB-CG1 4.17Å; H227-I568 HydrophobicContact CB-CG2 4.16Å; H227-I568 WeakPolarHBondContact O-CA 3.44Å; F229-I568 HydrophobicContact CD2-CG2 3.63Å; F229-I568 HydrophobicContact CE2-CG2 3.8Å; L529-I568 HydrophobicContact CD1-CD1 3.52Å; L529-I568 HydrophobicContact CD2-CD1 3.65Å; L529-I568 HydrophobicContact CD2-CG1 4.29Å; L529-I568 HydrophobicContact CG-CD1 4.24Å; I568-V570 HydrophobicContact CG2-CG2 4.03Å; I568-Y593 HydrophobicContact CD1-CD1 3.81Å; I568-Y593 HydrophobicContact CD1-CD2 4.09Å; I568-Y593 HydrophobicContact CD1-CE1 4.41Å; I568-Y593 HydrophobicContact CD1-CG 3.63Å; I568-R594 PolarHBondContact N-O 2.99Å; I568-F595 HydrophobicContact CB-CD1 3.83Å; I568-F595 HydrophobicContact CB-CE1 3.94Å; I568-F595 HydrophobicContact CD1-CD1 4.23Å; I568-F595 HydrophobicContact CD1-CE1 3.59Å; I568-F595 HydrophobicContact CD1-CE2 4.42Å; I568-F595 HydrophobicContact CD1-CZ 3.7Å; I568-F595 HydrophobicContact CG1-CE1 4.39Å; I568-F595 HydrophobicContact CG2-CD1 3.89Å; I568-F595 HydrophobicContact CG2-CE1 3.81Å; I568-F595 CarbonylContact O-C 3.5Å; I568-F595 WeakPolarHBondContact O-CA 3.24Å; I568-I596 PolarHBondContact O-N 3.17Å
569L98.8Very high95.4Very high1 Ų125.5 Ų25.51%0.00514%0.137CC..EExtended strand (participates in β ladder)trans-89121.5170.7176.561000110L183 F190 I225 H227 I228 F229 V571 I596 L598L183-L569 HydrophobicContact CD1-CD2 3.92Å; F190-L569 HydrophobicContact CE1-CB 4.47Å; F190-L569 HydrophobicContact CE1-CD2 3.8Å; F190-L569 HydrophobicContact CZ-CD2 3.76Å; I225-L569 HydrophobicContact CG2-CB 3.96Å; H227-L569 PolarHBondContact O-N 3.49Å; I228-L569 CarbonylContact C-O 3.32Å; I228-L569 VanDerWaalsContact CA-O 3.26Å; I228-L569 WeakPolarHBondContact CA-O 3.49Å; I228-L569 HydrophobicContact CB-CB 4.47Å; I228-L569 HydrophobicContact CD1-CD2 3.8Å; I228-L569 HydrophobicContact CD1-CG 4.37Å; I228-L569 HydrophobicContact CG1-CB 4.19Å; I228-L569 HydrophobicContact CG1-CD2 4.03Å; I228-L569 HydrophobicContact CG1-CG 4.09Å; F229-L569 PolarHBondContact N-O 2.95Å; L569-V571 HydrophobicContact CD2-CG2 4.34Å; L569-V571 HydrophobicContact CG-CG2 4.04Å; L569-I596 CarbonylContact C-O 3.57Å; L569-I596 WeakPolarHBondContact CA-O 3.35Å; L569-I596 HydrophobicContact CD1-CB 4.09Å; L569-I596 HydrophobicContact CD1-CG2 3.73Å; L569-L598 HydrophobicContact CD1-CB 3.97Å
570V98.9Very high96.1Very high0 Ų019.1 Ų19.10%011%0.109CC..EExtended strand (participates in β ladder)trans-111.5117.1176.4-172.90000108.9F229 L231 I525 I568 F572 L584 F595 I596 F597 L598F229-V570 HydrophobicContact CB-CG1 4.4Å; L231-V570 HydrophobicContact CD1-CG1 3.54Å; I525-V570 HydrophobicContact CD1-CG1 3.55Å; I525-V570 HydrophobicContact CD1-CG2 4.11Å; I568-V570 HydrophobicContact CG2-CG2 4.03Å; V570-F572 HydrophobicContact CB-CE2 4.15Å; V570-F572 HydrophobicContact CG1-CD2 3.86Å; V570-F572 HydrophobicContact CG1-CE2 3.31Å; V570-F572 HydrophobicContact CG1-CZ 3.74Å; V570-L584 HydrophobicContact CG1-CD1 4.33Å; V570-L584 HydrophobicContact CG2-CD1 4.35Å; V570-F595 HydrophobicContact CG2-CD1 3.7Å; V570-F595 HydrophobicContact CG2-CE1 4.2Å; V570-I596 PolarHBondContact N-O 3.37Å; V570-F597 HydrophobicContact CB-CD1 4.37Å; V570-F597 WeakPolarHBondContact O-CA 3.39Å; V570-L598 PolarHBondContact O-N 2.9Å
571V98.9Very high96.6Very high3 Ų318.4 Ų18.42%0.01810%0.103CC..EExtended strand (participates in β ladder)trans-104.6110.5-177-170.50000109.1L180 I228 F229 L230 L231 L569 L573 L598L180-V571 HydrophobicContact CD2-CG2 4.01Å; I228-V571 HydrophobicContact CD1-CG2 3.98Å; I228-V571 HydrophobicContact CG1-CG2 3.99Å; F229-V571 WeakPolarHBondContact O-CA 3.37Å; F229-V571 WeakPolarHBondContact O-CB 3.45Å; F229-V571 PolarHBondContact O-N 3.02Å; L230-V571 HydrophobicContact CG-CB 4.2Å; L230-V571 HydrophobicContact CG-CG2 4.43Å; L231-V571 PolarHBondContact N-O 3.12Å; L569-V571 HydrophobicContact CD2-CG2 4.34Å; L569-V571 HydrophobicContact CG-CG2 4.04Å; V571-L573 HydrophobicContact CG1-CD2 3.95Å; V571-L573 HydrophobicContact CG1-CG 4.4Å; V571-L598 CarbonylContact C-O 3.59Å; V571-L598 VanDerWaalsContact CA-O 3.23Å; V571-L598 WeakPolarHBondContact CA-O 3.25Å; V571-L598 HydrophobicContact CG1-CB 4.39Å; V571-L598 HydrophobicContact CG1-CD2 3.99Å; V571-L598 HydrophobicContact CG1-CG 4.06Å; V571-L598 HydrophobicContact CG2-CB 4.24Å; V571-L598 HydrophobicContact CG2-CD2 4.16Å
572F98.8Very high97Very high2 Ų215.8 Ų15.81%0.0099%0.085CC..EExtended strand (participates in β ladder)trans-97.7113.8175.6-70.3-89.7000110.9V570 C576 E580 L584 F597 L598 T599 T600V570-F572 HydrophobicContact CB-CE2 4.15Å; V570-F572 HydrophobicContact CG1-CD2 3.86Å; V570-F572 HydrophobicContact CG1-CE2 3.31Å; V570-F572 HydrophobicContact CG1-CZ 3.74Å; F572-C576 HydrophobicContact CB-CB 3.75Å; F572-C576 HydrophobicContact CD1-CB 4Å; F572-C576 HydrophobicContact CD2-CB 3.52Å; F572-C576 HydrophobicContact CE1-CB 4.45Å; F572-C576 HydrophobicContact CE2-CB 4.03Å; F572-C576 HydrophobicContact CG-CB 3.5Å; F572-C576 VanDerWaalsContact CG-CB 3.5Å; F572-C576 HydrophobicContact CZ-CB 4.47Å; F572-E580 WeakPolarHBondContact CE1-OE1 3.41Å; F572-E580 HydrophobicContact CZ-CB 4.27Å; F572-L584 HydrophobicContact CE2-CD1 4.34Å; F572-L584 HydrophobicContact CZ-CD1 4.09Å; F572-F597 HydrophobicContact CE2-CD1 4.29Å; F572-L598 PolarHBondContact N-O 2.91Å; F572-T599 WeakPolarHBondContact O-CA 3.49Å; F572-T599 PolarHBondContact O-OG1 3.29Å; F572-T600 PolarHBondContact O-N 2.93Å
573L98.6Very high97.4Very high1 Ų111.6 Ų11.61%0.0056%0.056CC..EExtended strand (participates in β ladder)trans-96.4114.4179.8-57.6175000109.5F160 F165 V176 C199 A200 A203 L231 D232 R233 V571 T600F160-L573 HydrophobicContact CE1-CB 4.33Å; F165-L573 WeakPolarHBondContact CE2-O 3.16Å; F165-L573 WeakPolarHBondContact CZ-O 3.27Å; V176-L573 HydrophobicContact CB-CD2 4.45Å; V176-L573 HydrophobicContact CG1-CD2 3.63Å; V176-L573 HydrophobicContact CG2-CD2 3.92Å; C199-L573 HydrophobicContact CB-CB 4.5Å; C199-L573 HydrophobicContact CB-CD1 4.13Å; A200-L573 VanDerWaalsContact CA-CD1 3.41Å; A200-L573 HydrophobicContact CB-CD1 3.99Å; A203-L573 HydrophobicContact CB-CD1 4.48Å; L231-L573 PolarHBondContact O-N 3.42Å; D232-L573 CarbonylContact C-O 3.57Å; R233-L573 WeakPolarHBondContact CB-O 3.4Å; R233-L573 PolarHBondContact N-O 3.31Å; V571-L573 HydrophobicContact CG1-CD2 3.95Å; V571-L573 HydrophobicContact CG1-CG 4.4Å; L573-T600 HydrophobicContact CD2-CG2 4.02Å
574G97.5Very high97.7Very high3 Ų36.2 Ų6.23%0.0313%0.03CC..THydrogen-bonded Turntrans93.31.8-170.200000114.1F161 T600F161-G574 WeakPolarHBondContact CD2-O 3.46Å; G574-T600 WeakPolarHBondContact CA-OG1 3.46Å; G574-T600 PolarHBondContact N-OG1 2.96Å
575G97.8Very high98Very high1 Ų16.7 Ų6.71%0.013%0.03CC..  trans113.2153.2163.200000116.2R233 T599 T600 A601R233-G575 WeakPolarHBondContact CD-O 3.49Å; R233-G575 PolarHBondContact NH1-O 2.86Å; G575-T599 WeakPolarHBondContact CA-OG1 3.49Å; G575-T600 PolarHBondContact N-OG1 3.35Å; G575-A601 WeakPolarHBondContact CA-O 3.49Å
576C97.9Very high98.2Very high0 Ų05.7 Ų5.70%02%0.024CC..BIsolated β-bridgetrans-122.5151.9174.969.40000111.6F572 E580 T599 A601 T603F572-C576 HydrophobicContact CB-CB 3.75Å; F572-C576 HydrophobicContact CD1-CB 4Å; F572-C576 HydrophobicContact CD2-CB 3.52Å; F572-C576 HydrophobicContact CE1-CB 4.45Å; F572-C576 HydrophobicContact CE2-CB 4.03Å; F572-C576 HydrophobicContact CG-CB 3.5Å; F572-C576 VanDerWaalsContact CG-CB 3.5Å; F572-C576 HydrophobicContact CZ-CB 4.47Å; C576-E580 WeakPolarHBondContact CA-OE2 3.47Å; C576-T599 PolarHBondContact N-OG1 3.21Å; C576-A601 PolarHBondContact N-O 2.67Å; C576-T603 PolarHBondContact O-N 3.25Å
577T98.6Very high98.3Very high2 Ų23.2 Ų3.21%0.0122%0.015CC..  trans-93.4160.3174.3630000111.7A240 S579 E580 I581 T603A240-T577 HydrophobicContact CB-CG2 4.33Å; T577-S579 PolarHBondContact O-N 3.48Å; T577-E580 PolarHBondContact N-OE2 3.47Å; T577-E580 PolarHBondContact O-N 3.44Å; T577-E580 VanDerWaalsContact OG1-CG 3.31Å; T577-E580 WeakPolarHBondContact OG1-CG 3.23Å; T577-E580 PolarHBondContact OG1-N 3.03Å; T577-E580 VanDerWaalsContact OG1-N 3.09Å; T577-E580 PolarHBondContact OG1-OE2 2.88Å; T577-I581 WeakPolarHBondContact O-CG1 3.25Å; T577-I581 PolarHBondContact O-N 2.86Å; T577-T603 HydrophobicContact CG2-CG2 4.38Å
578F98.7Very high98.2Very high5 Ų53 Ų32%0.0222%0.015CC..Hα-helixtrans-69.7-24.3171.5-71-68000112.4L152 E248 D252 I257 I581 S582 V602L152-F578 HydrophobicContact CD2-CE1 4.41Å; E248-F578 HydrophobicContact CB-CB 4.4Å; E248-F578 HydrophobicContact CB-CD1 4.47Å; E248-F578 HydrophobicContact CB-CG 4.39Å; E248-F578 VanDerWaalsContact CD-CE1 3.4Å; E248-F578 HydrophobicContact CG-CB 4.2Å; E248-F578 HydrophobicContact CG-CD1 3.5Å; E248-F578 VanDerWaalsContact CG-CD1 3.5Å; E248-F578 HydrophobicContact CG-CD2 4.08Å; E248-F578 HydrophobicContact CG-CE1 3.74Å; E248-F578 HydrophobicContact CG-CE2 4.3Å; E248-F578 HydrophobicContact CG-CG 3.67Å; E248-F578 HydrophobicContact CG-CZ 4.13Å; E248-F578 WeakPolarHBondContact OE1-CE1 3.13Å; D252-F578 HydrophobicContact CB-CD2 3.82Å; D252-F578 HydrophobicContact CB-CE2 3.78Å; I257-F578 HydrophobicContact CB-CE2 4.28Å; I257-F578 HydrophobicContact CB-CZ 4.45Å; I257-F578 HydrophobicContact CD1-CE2 3.71Å; I257-F578 HydrophobicContact CD1-CZ 3.88Å; I257-F578 HydrophobicContact CG1-CE2 4.49Å; I257-F578 HydrophobicContact CG2-CZ 4.24Å; F578-I581 HydrophobicContact CD1-CD1 4.01Å; F578-I581 HydrophobicContact CE1-CD1 4.41Å; F578-S582 VanDerWaalsContact O-CB 3.28Å; F578-S582 WeakPolarHBondContact O-CB 3.25Å; F578-S582 PolarHBondContact O-N 3.33Å; F578-S582 PolarHBondContact O-OG 3Å; F578-V602 HydrophobicContact CD2-CG1 4.13Å; F578-V602 HydrophobicContact CE1-CG1 4.46Å; F578-V602 HydrophobicContact CE2-CG1 3.63Å; F578-V602 HydrophobicContact CZ-CG1 3.83Å
579S98.6Very high97.9Very high0 Ų05.7 Ų5.70%03%0.025CC..Hα-helixtrans-62.9-44.6169.4-71.70000112.4Q244 T577 S582 A583Q244-S579 WeakPolarHBondContact CG-OG 3.48Å; T577-S579 PolarHBondContact O-N 3.48Å; S579-S582 PolarHBondContact O-N 3.37Å; S579-A583 WeakPolarHBondContact O-CB 3.26Å; S579-A583 PolarHBondContact O-N 3.13Å
580E98.8Very high97.6Very high0 Ų010.9 Ų10.90%05%0.05CC..Hα-helixtrans-63-44.7175.5-74.4166.112500111.8R233 T239 P519 S521 F572 C576 T577 S582 A583 L584R233-E580 IonicContact CZ-OE1 3.9Å; R233-E580 IonicContact CZ-OE2 2.79Å; R233-E580 VanDerWaalsContact NH1-CD 3.3Å; R233-E580 IonicContact NH1-OE1 2.71Å; R233-E580 PolarHBondContact NH1-OE1 3.36Å; R233-E580 IonicContact NH1-OE2 3.69Å; R233-E580 PolarHBondContact NH1-OE2 3.29Å; R233-E580 IonicContact NH2-OE1 3.22Å; R233-E580 PolarHBondContact NH2-OE1 3.39Å; T239-E580 HydrophobicContact CG2-CG 3.43Å; T239-E580 VanDerWaalsContact CG2-CG 3.43Å; P519-E580 HydrophobicContact CB-CG 4.3Å; S521-E580 PolarHBondContact OG-OE1 3.45Å; F572-E580 WeakPolarHBondContact CE1-OE1 3.41Å; F572-E580 HydrophobicContact CZ-CB 4.27Å; C576-E580 WeakPolarHBondContact CA-OE2 3.47Å; T577-E580 PolarHBondContact N-OE2 3.47Å; T577-E580 PolarHBondContact O-N 3.44Å; T577-E580 VanDerWaalsContact OG1-CG 3.31Å; T577-E580 WeakPolarHBondContact OG1-CG 3.23Å; T577-E580 PolarHBondContact OG1-N 3.03Å; T577-E580 VanDerWaalsContact OG1-N 3.09Å; T577-E580 PolarHBondContact OG1-OE2 2.88Å; E580-S582 VanDerWaalsContact C-N 3.33Å; E580-S582 PolarHBondContact O-N 2.88Å; E580-A583 PolarHBondContact O-N 3.43Å; E580-L584 PolarHBondContact O-N 3.42Å
581I98.8Very high97.3Very high0 Ų015.4 Ų15.40%07%0.07CC..Hα-helixtrans-58.6-47175.5-67.5169.7000110.3L152 T577 F578 L584 R585 F597L152-I581 HydrophobicContact CD1-CD1 3.93Å; L152-I581 HydrophobicContact CD2-CD1 4.1Å; T577-I581 WeakPolarHBondContact O-CG1 3.25Å; T577-I581 PolarHBondContact O-N 2.86Å; F578-I581 HydrophobicContact CD1-CD1 4.01Å; F578-I581 HydrophobicContact CE1-CD1 4.41Å; I581-L584 PolarHBondContact O-N 3.31Å; I581-R585 HydrophobicContact CG2-CG 4.48Å; I581-R585 WeakPolarHBondContact O-CB 3.44Å; I581-R585 VanDerWaalsContact O-CG 3.27Å; I581-R585 WeakPolarHBondContact O-CG 3.21Å; I581-R585 PolarHBondContact O-N 3.24Å; I581-F597 HydrophobicContact CB-CE2 4.48Å; I581-F597 HydrophobicContact CB-CZ 4.44Å; I581-F597 HydrophobicContact CG1-CD1 4.21Å; I581-F597 HydrophobicContact CG1-CD2 4.35Å; I581-F597 HydrophobicContact CG1-CE1 4.46Å; I581-F597 HydrophobicContact CG1-CG 4.14Å; I581-F597 HydrophobicContact CG2-CD2 4.02Å; I581-F597 HydrophobicContact CG2-CE2 3.74Å; I581-F597 HydrophobicContact CG2-CZ 4.09Å
582S98.7Very high97Very high0 Ų015.5 Ų15.50%07%0.071CC..Hα-helixtrans-64.3-41.3179.8-62.50000112.1N291 Y511 F578 S579 E580 R585 F586N291-S582 PolarHBondContact OD1-OG 3.06Å; Y511-S582 PolarHBondContact OH-O 3.32Å; F578-S582 VanDerWaalsContact O-CB 3.28Å; F578-S582 WeakPolarHBondContact O-CB 3.25Å; F578-S582 PolarHBondContact O-N 3.33Å; F578-S582 PolarHBondContact O-OG 3Å; S579-S582 PolarHBondContact O-N 3.37Å; E580-S582 VanDerWaalsContact C-N 3.33Å; E580-S582 PolarHBondContact O-N 2.88Å; S582-R585 PolarHBondContact O-N 3.01Å; S582-F586 WeakPolarHBondContact O-CB 3.47Å; S582-F586 PolarHBondContact O-N 3Å
583A98.8Very high96.8Very high0 Ų018.2 Ų18.20%08%0.081CC..Hα-helixtrans-62.5-47.5176.900000111.9M509 V512 P519 C522 S579 E580 F586 L587M509-A583 HydrophobicContact CB-CB 3.97Å; M509-A583 HydrophobicContact CG-CB 4.06Å; M509-A583 WeakPolarHBondContact CG-O 3.24Å; M509-A583 HydrophobicContact SD-CB 4.07Å; V512-A583 HydrophobicContact CG1-CB 4.02Å; V512-A583 HydrophobicContact CG2-CB 4.26Å; P519-A583 HydrophobicContact CG-CB 4.09Å; C522-A583 HydrophobicContact CB-CB 4.33Å; S579-A583 WeakPolarHBondContact O-CB 3.26Å; S579-A583 PolarHBondContact O-N 3.13Å; E580-A583 PolarHBondContact O-N 3.43Å; A583-F586 WeakPolarHBondContact O-CB 3.24Å; A583-F586 PolarHBondContact O-N 2.85Å; A583-L587 PolarHBondContact O-N 3.3Å
584L98.7Very high96.7Very high0 Ų021.2 Ų21.20%09%0.092CC..Hα-helixtrans-69.8-36.2178.3-71.9168.7000112.1C522 I525 V570 F572 E580 I581 F586 L587 G588 F595 F597C522-L584 HydrophobicContact CB-CD2 4.03Å; C522-L584 HydrophobicContact CB-CG 4.13Å; I525-L584 HydrophobicContact CB-CD2 4.26Å; I525-L584 HydrophobicContact CD1-CD1 3.82Å; I525-L584 HydrophobicContact CD1-CD2 4.08Å; I525-L584 HydrophobicContact CG2-CD2 4.07Å; V570-L584 HydrophobicContact CG1-CD1 4.33Å; V570-L584 HydrophobicContact CG2-CD1 4.35Å; F572-L584 HydrophobicContact CE2-CD1 4.34Å; F572-L584 HydrophobicContact CZ-CD1 4.09Å; E580-L584 PolarHBondContact O-N 3.42Å; I581-L584 PolarHBondContact O-N 3.31Å; L584-F586 VanDerWaalsContact C-N 3.28Å; L584-F586 PolarHBondContact O-N 3.25Å; L584-L587 HydrophobicContact CD2-CD2 4.14Å; L584-L587 PolarHBondContact O-N 3.27Å; L584-G588 PolarHBondContact O-N 3.44Å; L584-F595 HydrophobicContact CB-CD1 4.32Å; L584-F595 HydrophobicContact CB-CD2 4.22Å; L584-F595 HydrophobicContact CB-CG 4.11Å; L584-F595 HydrophobicContact CD2-CD1 4.41Å; L584-F595 HydrophobicContact CD2-CE1 3.98Å; L584-F595 HydrophobicContact CD2-CZ 4.09Å; L584-F595 WeakPolarHBondContact O-CD2 3.31Å; L584-F595 WeakPolarHBondContact O-CE2 3.3Å; L584-F597 HydrophobicContact CB-CE1 3.72Å; L584-F597 HydrophobicContact CB-CZ 3.84Å; L584-F597 HydrophobicContact CD1-CD1 4.5Å; L584-F597 HydrophobicContact CD1-CE1 3.71Å; L584-F597 HydrophobicContact CG-CE1 4.36Å
585R97.6Very high96.7Very high24 Ų2421.2 Ų21.29%0.0919%0.092CC..Hα-helixtrans-60.7-38.2169.6-76173.2174.7157.91.1111.8D151 E248 R290 N291 I581 S582 R589 F597D151-R585 VanDerWaalsContact CG-NH2 3.31Å; D151-R585 IonicContact OD1-CZ 3.38Å; D151-R585 IonicContact OD1-NE 3.38Å; D151-R585 IonicContact OD1-NH2 2.93Å; D151-R585 PolarHBondContact OD1-NH2 2.52Å; D151-R585 IonicContact OD2-CZ 3.58Å; D151-R585 IonicContact OD2-NE 2.77Å; D151-R585 PolarHBondContact OD2-NE 3.02Å; D151-R585 IonicContact OD2-NH2 3.59Å; D151-R585 PolarHBondContact OD2-NH2 2.75Å; D151-R585 VanDerWaalsContact OD2-NH2 3.12Å; E248-R585 IonicContact OE2-NH1 2.95Å; R290-R585 VanDerWaalsContact CZ-NH1 3.26Å; R290-R585 VanDerWaalsContact NE-NH1 3.19Å; N291-R585 VanDerWaalsContact OD1-CD 3.3Å; N291-R585 WeakPolarHBondContact OD1-CD 3.18Å; N291-R585 PolarHBondContact OD1-NH1 2.73Å; I581-R585 HydrophobicContact CG2-CG 4.48Å; I581-R585 WeakPolarHBondContact O-CB 3.44Å; I581-R585 VanDerWaalsContact O-CG 3.27Å; I581-R585 WeakPolarHBondContact O-CG 3.21Å; I581-R585 PolarHBondContact O-N 3.24Å; S582-R585 PolarHBondContact O-N 3.01Å; R585-R589 WeakPolarHBondContact O-CG 3.49Å; R585-R589 PolarHBondContact O-N 3.41Å; R585-R589 PolarHBondContact O-NH1 3.41Å; R585-F597 HydrophobicContact CG-CE2 4.02Å; R585-F597 HydrophobicContact CG-CZ 4.15Å
586F97.2Very high96.8Very high11 Ų1121.2 Ų21.25%0.0489%0.092CC..Hα-helixtrans-62.7-50.8172.7172.4-83.6000111.2P506 D508 M509 Y511 S582 A583 L584 G588 R589 E590P506-F586 HydrophobicContact CB-CE2 4.23Å; P506-F586 HydrophobicContact CG-CD2 4.49Å; P506-F586 HydrophobicContact CG-CE2 3.98Å; D508-F586 VanDerWaalsContact C-CE1 3.43Å; M509-F586 HydrophobicContact CG-CD1 3.91Å; Y511-F586 HydrophobicContact CD1-CD2 4.19Å; Y511-F586 HydrophobicContact CD1-CG 4.33Å; Y511-F586 HydrophobicContact CE1-CB 3.69Å; Y511-F586 AromaticContact CE1-CD2 3.8Å; Y511-F586 HydrophobicContact CE1-CD2 3.8Å; Y511-F586 AromaticContact CE1-CG 3.78Å; Y511-F586 HydrophobicContact CE1-CG 3.78Å; S582-F586 WeakPolarHBondContact O-CB 3.47Å; S582-F586 PolarHBondContact O-N 3Å; A583-F586 WeakPolarHBondContact O-CB 3.24Å; A583-F586 PolarHBondContact O-N 2.85Å; L584-F586 VanDerWaalsContact C-N 3.28Å; L584-F586 PolarHBondContact O-N 3.25Å; F586-G588 PolarHBondContact O-N 2.98Å; F586-R589 WeakPolarHBondContact O-CB 3.27Å; F586-R589 PolarHBondContact O-N 2.88Å; F586-R589 VanDerWaalsContact O-N 3.09Å; F586-E590 HydrophobicContact CD1-CG 4.16Å; F586-E590 HydrophobicContact CE1-CG 3.62Å; F586-E590 HydrophobicContact CE2-CG 4.33Å; F586-E590 HydrophobicContact CZ-CG 3.71Å; F586-E590 PolarHBondContact O-N 2.87Å; F586-E590 VanDerWaalsContact O-N 3.09Å
587L97Very high96.8Very high5 Ų521.2 Ų21.23%0.0269%0.092CC..Hα-helixtrans-56.4-41177.1-178.765.2000112M509 E526 A583 L584 R589 E590 K591 F595M509-L587 HydrophobicContact CE-CD2 4.38Å; M509-L587 HydrophobicContact CG-CB 4.38Å; M509-L587 HydrophobicContact SD-CB 3.87Å; M509-L587 HydrophobicContact SD-CD2 4.24Å; M509-L587 HydrophobicContact SD-CG 4.49Å; E526-L587 HydrophobicContact CB-CD1 4.39Å; E526-L587 HydrophobicContact CB-CD2 3.77Å; E526-L587 HydrophobicContact CG-CD1 3.9Å; E526-L587 HydrophobicContact CG-CD2 4.16Å; E526-L587 WeakPolarHBondContact OE1-CD1 3.32Å; A583-L587 PolarHBondContact O-N 3.3Å; L584-L587 HydrophobicContact CD2-CD2 4.14Å; L584-L587 PolarHBondContact O-N 3.27Å; L587-R589 VanDerWaalsContact C-N 3.35Å; L587-R589 PolarHBondContact O-N 2.88Å; L587-E590 PolarHBondContact O-N 3.06Å; L587-K591 HydrophobicContact CD1-CG 3.61Å; L587-K591 HydrophobicContact CG-CG 4.27Å; L587-K591 WeakPolarHBondContact O-CB 3.49Å; L587-K591 PolarHBondContact O-N 2.93Å; L587-F595 HydrophobicContact CB-CE2 4.33Å; L587-F595 HydrophobicContact CD2-CE2 4.37Å; L587-F595 HydrophobicContact CD2-CZ 3.97Å; L587-F595 HydrophobicContact CG-CE2 4.37Å; L587-F595 HydrophobicContact CG-CZ 4.42Å
588G95.6Very high96.8Very high4 Ų421.2 Ų21.24%0.0419%0.091CC..Hα-helixtrans-59.6-44.1177.300000112.3L584 F586 G592 Y593L584-G588 PolarHBondContact O-N 3.44Å; F586-G588 PolarHBondContact O-N 2.98Å; G588-G592 CarbonylContact O-C 3.48Å; G588-G592 WeakPolarHBondContact O-CA 3.43Å; G588-G592 PolarHBondContact O-N 3.31Å; G588-Y593 CarbonylContact C-O 3.58Å; G588-Y593 VanDerWaalsContact C-O 3.23Å; G588-Y593 WeakPolarHBondContact CA-O 3.27Å; G588-Y593 PolarHBondContact O-N 3.07Å; G588-Y593 VanDerWaalsContact O-O 3.04Å
589R92.3Very high96.8Very high57 Ų5721 Ų2122%0.2159%0.091CC..Hα-helixtrans-61.5-46.3174.9-67.4-172.4-56.7-95.19.1111.9R6 R585 F586 L587R6-R589 PolarHBondContact NH1-O 3.25Å; R585-R589 WeakPolarHBondContact O-CG 3.49Å; R585-R589 PolarHBondContact O-N 3.41Å; R585-R589 PolarHBondContact O-NH1 3.41Å; F586-R589 WeakPolarHBondContact O-CB 3.27Å; F586-R589 PolarHBondContact O-N 2.88Å; F586-R589 VanDerWaalsContact O-N 3.09Å; L587-R589 VanDerWaalsContact C-N 3.35Å; L587-R589 PolarHBondContact O-N 2.88Å
590E92.4Very high96.8Very high110 Ų11021.1 Ų21.151%0.5149%0.091SC..Hα-helixtrans-66.8-43.3-177.4-68.7-55.111500112.7R6 F586 L587R6-E590 PolarHBondContact NH1-O 2.74Å; F586-E590 HydrophobicContact CD1-CG 4.16Å; F586-E590 HydrophobicContact CE1-CG 3.62Å; F586-E590 HydrophobicContact CE2-CG 4.33Å; F586-E590 HydrophobicContact CZ-CG 3.71Å; F586-E590 PolarHBondContact O-N 2.87Å; F586-E590 VanDerWaalsContact O-N 3.09Å; L587-E590 PolarHBondContact O-N 3.06Å
591K92.6Very high96.7Very high96 Ų9621.8 Ų21.842%0.41710%0.097SC..Hα-helixtrans-96.9-5.4-173.2-58.2-76.6-179.6157.50113.9E526 E530 L587 Y593E526-K591 IonicContact OE1-NZ 3.94Å; E530-K591 IonicContact OE1-NZ 3.85Å; E530-K591 PolarHBondContact OE1-NZ 2.79Å; L587-K591 HydrophobicContact CD1-CG 3.61Å; L587-K591 HydrophobicContact CG-CG 4.27Å; L587-K591 WeakPolarHBondContact O-CB 3.49Å; L587-K591 PolarHBondContact O-N 2.93Å; K591-Y593 HydrophobicContact CB-CD2 3.55Å; K591-Y593 HydrophobicContact CB-CE2 3.64Å; K591-Y593 HydrophobicContact CG-CE2 4.45Å
592G92.4Very high96.7Very high4 Ų422.8 Ų22.84%0.04110%0.103CC..THydrogen-bonded Turntrans77.925-178.900000114.1G588G588-G592 CarbonylContact O-C 3.48Å; G588-G592 WeakPolarHBondContact O-CA 3.43Å; G588-G592 PolarHBondContact O-N 3.31Å
593Y94.7Very high96.6Very high59 Ų5923.3 Ų23.323%0.23111%0.106CC..  trans-97.4163.6173.2-60.8-58.8000111.5L529 R566 I568 G588 K591L529-Y593 HydrophobicContact CD1-CD2 4.4Å; L529-Y593 HydrophobicContact CD1-CE2 4.28Å; R566-Y593 HydrophobicContact CB-CD1 4.14Å; R566-Y593 HydrophobicContact CG-CD1 4.23Å; R566-Y593 HydrophobicContact CG-CE1 4.4Å; R566-Y593 WeakPolarHBondContact O-CA 3.38Å; I568-Y593 HydrophobicContact CD1-CD1 3.81Å; I568-Y593 HydrophobicContact CD1-CD2 4.09Å; I568-Y593 HydrophobicContact CD1-CE1 4.41Å; I568-Y593 HydrophobicContact CD1-CG 3.63Å; G588-Y593 CarbonylContact C-O 3.58Å; G588-Y593 VanDerWaalsContact C-O 3.23Å; G588-Y593 WeakPolarHBondContact CA-O 3.27Å; G588-Y593 PolarHBondContact O-N 3.07Å; G588-Y593 VanDerWaalsContact O-O 3.04Å; K591-Y593 HydrophobicContact CB-CD2 3.55Å; K591-Y593 HydrophobicContact CB-CE2 3.64Å; K591-Y593 HydrophobicContact CG-CE2 4.45Å
594R96.3Very high96.5Very high64 Ų6423.5 Ų23.524%0.24211%0.107CC..EExtended strand (participates in β ladder)trans-129124.9165.6-162.2162.8-169.3161.6-6.4110.9P10 L12 R566 L567 I568P10-R594 HydrophobicContact CG-CB 3.8Å; P10-R594 WeakPolarHBondContact O-CD 3.48Å; P10-R594 PolarHBondContact O-NH1 2.68Å; P10-R594 VanDerWaalsContact O-NH1 3.13Å; L12-R594 HydrophobicContact CD2-CG 3.73Å; L12-R594 HydrophobicContact CG-CG 4.24Å; L12-R594 VanDerWaalsContact CG-NE 3.29Å; R566-R594 PolarHBondContact O-N 3.02Å; L567-R594 WeakPolarHBondContact CA-O 3.36Å; L567-R594 HydrophobicContact CD2-CB 3.9Å; L567-R594 HydrophobicContact CD2-CG 4.44Å; I568-R594 PolarHBondContact N-O 2.99Å
595F98Very high96.4Very high4 Ų424.2 Ų24.22%0.01811%0.112CC..EExtended strand (participates in β ladder)trans-95.1138-177-69.2-86.7000110.4I525 L529 I568 V570 L584 L587 F597I525-F595 HydrophobicContact CG2-CE1 3.95Å; I525-F595 HydrophobicContact CG2-CZ 4.47Å; L529-F595 HydrophobicContact CD1-CE1 4.16Å; L529-F595 HydrophobicContact CD1-CZ 3.95Å; I568-F595 HydrophobicContact CB-CD1 3.83Å; I568-F595 HydrophobicContact CB-CE1 3.94Å; I568-F595 HydrophobicContact CD1-CD1 4.23Å; I568-F595 HydrophobicContact CD1-CE1 3.59Å; I568-F595 HydrophobicContact CD1-CE2 4.42Å; I568-F595 HydrophobicContact CD1-CZ 3.7Å; I568-F595 HydrophobicContact CG1-CE1 4.39Å; I568-F595 HydrophobicContact CG2-CD1 3.89Å; I568-F595 HydrophobicContact CG2-CE1 3.81Å; I568-F595 CarbonylContact O-C 3.5Å; I568-F595 WeakPolarHBondContact O-CA 3.24Å; V570-F595 HydrophobicContact CG2-CD1 3.7Å; V570-F595 HydrophobicContact CG2-CE1 4.2Å; L584-F595 HydrophobicContact CB-CD1 4.32Å; L584-F595 HydrophobicContact CB-CD2 4.22Å; L584-F595 HydrophobicContact CB-CG 4.11Å; L584-F595 HydrophobicContact CD2-CD1 4.41Å; L584-F595 HydrophobicContact CD2-CE1 3.98Å; L584-F595 HydrophobicContact CD2-CZ 4.09Å; L584-F595 WeakPolarHBondContact O-CD2 3.31Å; L584-F595 WeakPolarHBondContact O-CE2 3.3Å; L587-F595 HydrophobicContact CB-CE2 4.33Å; L587-F595 HydrophobicContact CD2-CE2 4.37Å; L587-F595 HydrophobicContact CD2-CZ 3.97Å; L587-F595 HydrophobicContact CG-CE2 4.37Å; L587-F595 HydrophobicContact CG-CZ 4.42Å; F595-F597 HydrophobicContact CB-CE1 3.97Å; F595-F597 HydrophobicContact CB-CE2 4.06Å; F595-F597 HydrophobicContact CB-CZ 3.55Å; F595-F597 HydrophobicContact CG-CZ 4.46Å
596I98.6Very high96.3Very high1 Ų124.1 Ų24.11%0.00512%0.117CC..EExtended strand (participates in β ladder)trans-114.4135.5167.1-60.3151.6000105.7L12 P13 F15 D151 I225 L567 I568 L569 V570L12-I596 HydrophobicContact CD2-CD1 4.23Å; L12-I596 HydrophobicContact CD2-CG1 3.63Å; P13-I596 HydrophobicContact CG-CD1 4.3Å; F15-I596 HydrophobicContact CE2-CD1 4.46Å; F15-I596 HydrophobicContact CE2-CG1 4.33Å; F15-I596 HydrophobicContact CE2-CG2 3.96Å; F15-I596 HydrophobicContact CZ-CD1 4.05Å; F15-I596 HydrophobicContact CZ-CG1 4.31Å; F15-I596 HydrophobicContact CZ-CG2 3.79Å; D151-I596 CarbonylContact O-C 3.52Å; D151-I596 WeakPolarHBondContact O-CA 3.26Å; I225-I596 HydrophobicContact CD1-CD1 3.75Å; I225-I596 HydrophobicContact CG1-CD1 4.01Å; L567-I596 HydrophobicContact CD2-CD1 4.49Å; I568-I596 PolarHBondContact O-N 3.17Å; L569-I596 CarbonylContact C-O 3.57Å; L569-I596 WeakPolarHBondContact CA-O 3.35Å; L569-I596 HydrophobicContact CD1-CB 4.09Å; L569-I596 HydrophobicContact CD1-CG2 3.73Å; V570-I596 PolarHBondContact N-O 3.37Å
597F98.8Very high96.2Very high0 Ų026.2 Ų26.20%012%0.124CC..EExtended strand (participates in β ladder)trans-110.6129.8-177.2-53.8-77.3000109.1D151 L152 L153 V570 F572 I581 L584 R585 F595D151-F597 WeakPolarHBondContact O-CD2 3.32Å; D151-F597 PolarHBondContact O-N 3.25Å; L152-F597 HydrophobicContact CD1-CB 3.65Å; L153-F597 PolarHBondContact N-O 3.01Å; V570-F597 HydrophobicContact CB-CD1 4.37Å; V570-F597 WeakPolarHBondContact O-CA 3.39Å; F572-F597 HydrophobicContact CE2-CD1 4.29Å; I581-F597 HydrophobicContact CB-CE2 4.48Å; I581-F597 HydrophobicContact CB-CZ 4.44Å; I581-F597 HydrophobicContact CG1-CD1 4.21Å; I581-F597 HydrophobicContact CG1-CD2 4.35Å; I581-F597 HydrophobicContact CG1-CE1 4.46Å; I581-F597 HydrophobicContact CG1-CG 4.14Å; I581-F597 HydrophobicContact CG2-CD2 4.02Å; I581-F597 HydrophobicContact CG2-CE2 3.74Å; I581-F597 HydrophobicContact CG2-CZ 4.09Å; L584-F597 HydrophobicContact CB-CE1 3.72Å; L584-F597 HydrophobicContact CB-CZ 3.84Å; L584-F597 HydrophobicContact CD1-CD1 4.5Å; L584-F597 HydrophobicContact CD1-CE1 3.71Å; L584-F597 HydrophobicContact CG-CE1 4.36Å; R585-F597 HydrophobicContact CG-CE2 4.02Å; R585-F597 HydrophobicContact CG-CZ 4.15Å; F595-F597 HydrophobicContact CB-CE1 3.97Å; F595-F597 HydrophobicContact CB-CE2 4.06Å; F595-F597 HydrophobicContact CB-CZ 3.55Å; F595-F597 HydrophobicContact CG-CZ 4.46Å
598L98.8Very high96.2Very high1 Ų126 Ų261%0.00512%0.123CC..EExtended strand (participates in β ladder)trans-117.7132.7164.6171.258.5000107.5L145 L153 M155 L180 L183 L569 V570 V571 F572L145-L598 HydrophobicContact CD2-CD1 3.34Å; L145-L598 HydrophobicContact CD2-CD2 4.18Å; L145-L598 HydrophobicContact CD2-CG 4.42Å; L153-L598 HydrophobicContact CB-CD1 3.93Å; L153-L598 WeakPolarHBondContact O-CA 3.43Å; M155-L598 HydrophobicContact CG-CD1 4.27Å; L180-L598 HydrophobicContact CD2-CD2 4.06Å; L183-L598 HydrophobicContact CD1-CD2 4.05Å; L569-L598 HydrophobicContact CD1-CB 3.97Å; V570-L598 PolarHBondContact O-N 2.9Å; V571-L598 CarbonylContact C-O 3.59Å; V571-L598 VanDerWaalsContact CA-O 3.23Å; V571-L598 WeakPolarHBondContact CA-O 3.25Å; V571-L598 HydrophobicContact CG1-CB 4.39Å; V571-L598 HydrophobicContact CG1-CD2 3.99Å; V571-L598 HydrophobicContact CG1-CG 4.06Å; V571-L598 HydrophobicContact CG2-CB 4.24Å; V571-L598 HydrophobicContact CG2-CD2 4.16Å; F572-L598 PolarHBondContact N-O 2.91Å
599T98.7Very high96.2Very high1 Ų126 Ų261%0.00612%0.122CC..EExtended strand (participates in β ladder)trans-138.4149.6176-175.20000111.6L152 L153 S154 M155 F572 G575 C576 A601 V602L152-T599 HydrophobicContact CD1-CG2 4.48Å; L153-T599 PolarHBondContact O-N 3.01Å; L153-T599 VanDerWaalsContact O-N 3.09Å; S154-T599 CarbonylContact C-O 3.55Å; S154-T599 WeakPolarHBondContact CA-O 3.22Å; M155-T599 PolarHBondContact N-O 3.16Å; F572-T599 WeakPolarHBondContact O-CA 3.49Å; F572-T599 PolarHBondContact O-OG1 3.29Å; G575-T599 WeakPolarHBondContact CA-OG1 3.49Å; C576-T599 PolarHBondContact N-OG1 3.21Å; T599-A601 PolarHBondContact O-N 2.88Å; T599-A601 PolarHBondContact OG1-N 3.42Å; T599-A601 PolarHBondContact OG1-O 3.34Å; T599-V602 HydrophobicContact CG2-CG2 4.15Å
600T98.1Very high96.3Very high2 Ų225.7 Ų25.71%0.01212%0.123CC..SBendtrans-61.7-39.117156.70000110.9M155 E156 L157 F160 V176 F572 L573 G574 G575M155-T600 HydrophobicContact SD-CG2 3.9Å; E156-T600 PolarHBondContact N-O 3.37Å; L157-T600 PolarHBondContact N-O 2.96Å; F160-T600 HydrophobicContact CB-CG2 4.38Å; F160-T600 HydrophobicContact CD1-CG2 3.68Å; F160-T600 HydrophobicContact CD2-CG2 3.61Å; F160-T600 HydrophobicContact CE1-CG2 3.79Å; F160-T600 HydrophobicContact CE2-CG2 3.69Å; F160-T600 HydrophobicContact CG-CG2 3.61Å; F160-T600 HydrophobicContact CZ-CG2 3.78Å; V176-T600 HydrophobicContact CG2-CG2 4.48Å; F572-T600 PolarHBondContact O-N 2.93Å; L573-T600 HydrophobicContact CD2-CG2 4.02Å; G574-T600 WeakPolarHBondContact CA-OG1 3.46Å; G574-T600 PolarHBondContact N-OG1 2.96Å; G575-T600 PolarHBondContact N-OG1 3.35Å
601A97.3Very high96.5Very high14 Ų1421.4 Ų21.412%0.11611%0.106CC..SBendtrans-161.1155.1169.200000110.2G575 C576 T599G575-A601 WeakPolarHBondContact CA-O 3.49Å; C576-A601 PolarHBondContact N-O 2.67Å; T599-A601 PolarHBondContact O-N 2.88Å; T599-A601 PolarHBondContact OG1-N 3.42Å; T599-A601 PolarHBondContact OG1-O 3.34Å
602V97.6Very high96.6Very high21 Ų2116.9 Ų16.913%0.1279%0.087CC..BIsolated β-bridgetrans-72.9135167179.30000108.8L148 L152 F578 T599L148-V602 HydrophobicContact CD1-CG2 4.16Å; L152-V602 HydrophobicContact CD2-CG2 4.4Å; F578-V602 HydrophobicContact CD2-CG1 4.13Å; F578-V602 HydrophobicContact CE1-CG1 4.46Å; F578-V602 HydrophobicContact CE2-CG1 3.63Å; F578-V602 HydrophobicContact CZ-CG1 3.83Å; T599-V602 HydrophobicContact CG2-CG2 4.15Å
603T97.4Very high96.5Very high11 Ų1117.8 Ų17.87%0.0679%0.092CC..  trans-128.4167.2-177.3-161.30000111.9C576 T577C576-T603 PolarHBondContact O-N 3.25Å; T577-T603 HydrophobicContact CG2-CG2 4.38Å
604N97.1Very high96.1Very high5 Ų519 Ų193%0.02710%0.1CC..  trans-153.7-179.8168.865.9-1000108.6D252 D253 A606 R607 L608D252-N604 PolarHBondContact OD2-ND2 2.78Å; D253-N604 PolarHBondContact OD1-ND2 3.13Å; N604-A606 VanDerWaalsContact C-N 3.29Å; N604-A606 PolarHBondContact O-N 2.87Å; N604-A606 PolarHBondContact OD1-N 3.43Å; N604-R607 PolarHBondContact ND2-NH1 3.21Å; N604-R607 VanDerWaalsContact ND2-NH1 3.14Å; N604-R607 PolarHBondContact O-N 3.3Å; N604-R607 WeakPolarHBondContact OD1-CB 3.28Å; N604-R607 WeakPolarHBondContact OD1-CG 3.46Å; N604-R607 PolarHBondContact OD1-N 3.09Å; N604-R607 PolarHBondContact OD1-NH1 3.22Å; N604-L608 WeakPolarHBondContact O-CB 3.45Å; N604-L608 PolarHBondContact O-N 2.93Å
605S95.4Very high95.1Very high14 Ų1418 Ų1810%0.09810%0.101CC..Hα-helixtrans-59.7-38.7-177.161.90000113.5A240 R398 L608 M609A240-S605 WeakPolarHBondContact O-CA 3.49Å; A240-S605 VanDerWaalsContact O-CB 3.23Å; A240-S605 WeakPolarHBondContact O-CB 3.29Å; A240-S605 PolarHBondContact O-N 2.74Å; A240-S605 VanDerWaalsContact O-N 3.07Å; R398-S605 WeakPolarHBondContact CD-OG 3.27Å; S605-L608 PolarHBondContact O-N 2.93Å; S605-M609 WeakPolarHBondContact O-CG 3.4Å; S605-M609 PolarHBondContact O-N 2.93Å
606A95.6Very high93.2Very high23 Ų2327.3 Ų27.319%0.1914%0.142CC..Hα-helixtrans-63.5-50.6177.100000111.7I394 N604 L608 M609 E610I394-A606 HydrophobicContact CG2-CB 4.39Å; N604-A606 VanDerWaalsContact C-N 3.29Å; N604-A606 PolarHBondContact O-N 2.87Å; N604-A606 PolarHBondContact OD1-N 3.43Å; A606-L608 VanDerWaalsContact C-N 3.29Å; A606-L608 PolarHBondContact O-N 2.94Å; A606-M609 PolarHBondContact O-N 2.83Å; A606-E610 WeakPolarHBondContact O-CB 3.5Å; A606-E610 VanDerWaalsContact O-CG 3.27Å; A606-E610 WeakPolarHBondContact O-CG 3.47Å; A606-E610 PolarHBondContact O-N 3.43Å
607R96.1Very high90.5Very high54 Ų5434 Ų3420%0.20420%0.197CC..Hα-helixtrans-61.9-37.3178-70.9-178.4-170.987.6-10.2112.1D252 I257 N604 E610 A611D252-R607 VanDerWaalsContact CG-NH1 3.34Å; D252-R607 IonicContact OD1-CZ 2.6Å; D252-R607 IonicContact OD1-NH1 3.05Å; D252-R607 PolarHBondContact OD1-NH1 3.01Å; D252-R607 IonicContact OD1-NH2 2.85Å; D252-R607 PolarHBondContact OD1-NH2 2.83Å; D252-R607 IonicContact OD2-CZ 2.65Å; D252-R607 IonicContact OD2-NH1 3.51Å; D252-R607 PolarHBondContact OD2-NH1 2.96Å; D252-R607 IonicContact OD2-NH2 3.13Å; I257-R607 PolarHBondContact O-NH2 2.9Å; N604-R607 PolarHBondContact ND2-NH1 3.21Å; N604-R607 VanDerWaalsContact ND2-NH1 3.14Å; N604-R607 PolarHBondContact O-N 3.3Å; N604-R607 WeakPolarHBondContact OD1-CB 3.28Å; N604-R607 WeakPolarHBondContact OD1-CG 3.46Å; N604-R607 PolarHBondContact OD1-N 3.09Å; N604-R607 PolarHBondContact OD1-NH1 3.22Å; R607-E610 PolarHBondContact O-N 2.8Å; R607-A611 WeakPolarHBondContact O-CB 3.41Å; R607-A611 PolarHBondContact O-N 3.05Å
608L96.1Very high90.1Very high2 Ų235.7 Ų35.71%0.0121%0.206CC..Hα-helixtrans-62.3-46.3175.7-179.363000111.6F161 F237 A240 L241 N604 S605 A606 A611 M612F161-L608 HydrophobicContact CD1-CD1 4.07Å; F161-L608 HydrophobicContact CD2-CD1 4.46Å; F161-L608 HydrophobicContact CE1-CD1 3.33Å; F161-L608 HydrophobicContact CE2-CD1 3.82Å; F161-L608 HydrophobicContact CZ-CD1 3.19Å; F237-L608 HydrophobicContact CD1-CD2 4.36Å; F237-L608 HydrophobicContact CE1-CD1 4.4Å; A240-L608 HydrophobicContact CB-CD2 3.95Å; L241-L608 HydrophobicContact CD2-CD2 3.88Å; L241-L608 HydrophobicContact CG-CD2 4.09Å; N604-L608 WeakPolarHBondContact O-CB 3.45Å; N604-L608 PolarHBondContact O-N 2.93Å; S605-L608 PolarHBondContact O-N 2.93Å; A606-L608 VanDerWaalsContact C-N 3.29Å; A606-L608 PolarHBondContact O-N 2.94Å; L608-A611 PolarHBondContact O-N 2.7Å; L608-M612 WeakPolarHBondContact O-CG 3.39Å; L608-M612 PolarHBondContact O-N 3.26Å
609M96.1Very high89.6Confident3 Ų337.5 Ų37.52%0.01522%0.217CC..Hα-helixtrans-69.9-37.9177.3-66.3-58.992.400112.5L241 I394 L397 R398 L437 L442 S605 A606 A611 M612 S613L241-M609 HydrophobicContact CD2-CE 3.52Å; L241-M609 HydrophobicContact CD2-SD 4.34Å; I394-M609 HydrophobicContact CG2-CB 3.95Å; I394-M609 HydrophobicContact CG2-CG 4.2Å; L397-M609 HydrophobicContact CB-SD 4.05Å; R398-M609 HydrophobicContact CB-CG 4.15Å; R398-M609 HydrophobicContact CB-SD 4.39Å; L437-M609 HydrophobicContact CD2-CE 4.29Å; L437-M609 HydrophobicContact CD2-SD 4.4Å; L442-M609 HydrophobicContact CD1-CE 4.17Å; S605-M609 WeakPolarHBondContact O-CG 3.4Å; S605-M609 PolarHBondContact O-N 2.93Å; A606-M609 PolarHBondContact O-N 2.83Å; M609-A611 VanDerWaalsContact C-N 3.31Å; M609-A611 PolarHBondContact O-N 3.41Å; M609-M612 WeakPolarHBondContact O-CB 3.29Å; M609-M612 PolarHBondContact O-N 3.02Å; M609-M612 VanDerWaalsContact O-N 3.11Å; M609-S613 PolarHBondContact O-N 2.83Å; M609-S613 VanDerWaalsContact O-N 3.13Å
610E95.3Very high89.1Confident51 Ų5139.5 Ų39.524%0.23823%0.229CC..Hα-helixtrans-59.8-41.6174-76.9167.8-170.400111.5R256 I394 A606 R607 M612 S613R256-E610 IonicContact CZ-OE1 2.61Å; R256-E610 IonicContact CZ-OE2 2.87Å; R256-E610 IonicContact NH1-OE1 2.63Å; R256-E610 PolarHBondContact NH1-OE1 3.08Å; R256-E610 IonicContact NH1-OE2 3.02Å; R256-E610 PolarHBondContact NH1-OE2 3.08Å; R256-E610 IonicContact NH2-OE1 2.95Å; R256-E610 PolarHBondContact NH2-OE1 3.08Å; R256-E610 IonicContact NH2-OE2 3.31Å; I394-E610 HydrophobicContact CD1-CG 4.08Å; A606-E610 WeakPolarHBondContact O-CB 3.5Å; A606-E610 VanDerWaalsContact O-CG 3.27Å; A606-E610 WeakPolarHBondContact O-CG 3.47Å; A606-E610 PolarHBondContact O-N 3.43Å; R607-E610 PolarHBondContact O-N 2.8Å; E610-M612 PolarHBondContact O-N 3.34Å; E610-S613 PolarHBondContact O-N 3.08Å; E610-S613 VanDerWaalsContact O-N 3.08Å
611A94.9Very high88.6Confident20 Ų2041.7 Ų41.717%0.16524%0.241CC..Hα-helixtrans-61.9-27.4176.500000113.2F161 R162 R607 L608 M609F161-A611 HydrophobicContact CD1-CB 3.78Å; F161-A611 HydrophobicContact CE1-CB 4.2Å; R162-A611 HydrophobicContact CB-CB 4.39Å; R162-A611 WeakPolarHBondContact CD-O 3.1Å; R162-A611 PolarHBondContact NH1-O 2.95Å; R162-A611 VanDerWaalsContact NH1-O 3.11Å; R607-A611 WeakPolarHBondContact O-CB 3.41Å; R607-A611 PolarHBondContact O-N 3.05Å; L608-A611 PolarHBondContact O-N 2.7Å; M609-A611 VanDerWaalsContact C-N 3.31Å; M609-A611 PolarHBondContact O-N 3.41Å
612M94.5Very high88.1Confident0 Ų043.4 Ų43.40%025%0.249CC..Hα-helixtrans-85.8-17.5177.4-62.2-64.4178.200113.1F161 L166 N436 L437 A440 L442 L608 M609 E610F161-M612 HydrophobicContact CE1-CE 3.3Å; F161-M612 HydrophobicContact CZ-CE 3.42Å; F161-M612 VanDerWaalsContact CZ-CE 3.42Å; L166-M612 HydrophobicContact CD1-SD 4.09Å; L166-M612 HydrophobicContact CD2-SD 4.03Å; L166-M612 HydrophobicContact CG-SD 4.43Å; N436-M612 WeakPolarHBondContact CB-O 3.34Å; N436-M612 PolarHBondContact ND2-O 2.81Å; L437-M612 HydrophobicContact CD2-CB 3.71Å; L437-M612 HydrophobicContact CD2-CG 3.7Å; L437-M612 HydrophobicContact CG-CB 4.24Å; A440-M612 HydrophobicContact CB-CE 3.5Å; A440-M612 HydrophobicContact CB-SD 4.04Å; L442-M612 HydrophobicContact CD1-CE 3.43Å; L442-M612 VanDerWaalsContact CD1-CE 3.43Å; L442-M612 HydrophobicContact CD1-CG 4.08Å; L442-M612 HydrophobicContact CD1-SD 4.25Å; L608-M612 WeakPolarHBondContact O-CG 3.39Å; L608-M612 PolarHBondContact O-N 3.26Å; M609-M612 WeakPolarHBondContact O-CB 3.29Å; M609-M612 PolarHBondContact O-N 3.02Å; M609-M612 VanDerWaalsContact O-N 3.11Å; E610-M612 PolarHBondContact O-N 3.34Å
613S92.3Very high87.4Confident23 Ų2344.9 Ų44.916%0.16126%0.257CS..  trans-86.2133.7-178.2-171.20000112M609 E610 V615M609-S613 PolarHBondContact O-N 2.83Å; M609-S613 VanDerWaalsContact O-N 3.13Å; E610-S613 PolarHBondContact O-N 3.08Å; E610-S613 VanDerWaalsContact O-N 3.08Å; S613-V615 PolarHBondContact OG-N 2.71Å; S613-V615 VanDerWaalsContact OG-N 3.13Å; S613-V615 PolarHBondContact OG-O 3.15Å
614E85.9Confident86.7Confident85 Ų8547.4 Ų47.440%0.39727%0.271SS..SBendtrans-87-16.5165.7-60.9-55.7144.900112.2R162 L432 N436R162-E614 IonicContact CZ-OE1 3.31Å; R162-E614 VanDerWaalsContact CZ-OE1 3.22Å; R162-E614 IonicContact NH1-OE1 3.87Å; R162-E614 PolarHBondContact NH1-OE1 2.85Å; R162-E614 IonicContact NH1-OE2 2.86Å; R162-E614 IonicContact NH2-OE1 3.08Å; R162-E614 PolarHBondContact NH2-OE1 3.42Å; R162-E614 IonicContact NH2-OE2 3.36Å; R162-E614 PolarHBondContact NH2-OE2 2.69Å; L432-E614 HydrophobicContact CB-CB 4.23Å; L432-E614 HydrophobicContact CB-CG 3.72Å; L432-E614 HydrophobicContact CD1-CB 4.29Å; L432-E614 HydrophobicContact CD1-CG 4.11Å; N436-E614 PolarHBondContact ND2-OE1 3.47Å
615V74.8Confident85.9Confident43 Ų4350.6 Ų50.626%0.26129%0.29SS..SBendtrans-80.2121.7176-167.50000107.1E429 S613 A617E429-V615 HydrophobicContact CB-CG2 3.84Å; E429-V615 HydrophobicContact CG-CB 4.41Å; E429-V615 HydrophobicContact CG-CG1 4.15Å; E429-V615 HydrophobicContact CG-CG2 3.35Å; S613-V615 PolarHBondContact OG-N 2.71Å; S613-V615 VanDerWaalsContact OG-N 3.13Å; S613-V615 PolarHBondContact OG-O 3.15Å; V615-A617 PolarHBondContact O-N 3.48Å
616K58.7Low85.1Confident200 Ų20053.7 Ų53.787%0.8731%0.306SS*.  trans-66.7120.3171.7-68.8-176.8-179.4176.20108.1
617A41.2Very low84.2Confident140 Ų14056.5 Ų56.5100%1.15732%0.316SS*.  trans-63.60173.500000112V615V615-A617 PolarHBondContact O-N 3.48Å

Retrieved 617 of 617 residues in 1560.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).