A0A087Y8P6_POEFO Loading...

Farnesyl pyrophosphate synthase

AlphaFold DB (A0A3B3TP13), UniProt , Accession A0A087Y8P6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 358 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38.3Very low35.4Very low254 Ų254140.4 Ų140.4100%1.25183%0.829SS**  0106.30-63.8175.1-174.800105.4
2G34.4Very low35.6Very low62 Ų62145.3 Ų145.364%0.63983%0.833SS**  cis166.380.510.400000103.6T4G2-T4 PolarHBondContact O-N 2.98Å
3D33.8Very low36.2Very low167 Ų167149.5 Ų149.589%0.89384%0.835SS**  trans-74.5109.7178.8-76-30000108.9V5D3-V5 PolarHBondContact O-N 3.3Å
4T34.9Very low37.6Very low131 Ų131145.3 Ų145.380%0.80483%0.829SS**  trans-95.792.8176.5-41.10000107.7G2 C6G2-T4 PolarHBondContact O-N 2.98Å; T4-C6 PolarHBondContact O-N 2.84Å
5V36.6Very low40.3Very low120 Ų120147.2 Ų147.273%0.72784%0.835SS**  trans-75.8105.5170177.30000108D3 N7D3-V5 PolarHBondContact O-N 3.3Å; V5-N7 PolarHBondContact O-N 3.1Å; V5-N7 VanDerWaalsContact O-N 3.12Å
6C34.6Very low43.2Very low123 Ų123143.9 Ų143.983%0.83181%0.813SS**  trans-68100.6169.8-112.10000109.5T4 G8T4-C6 PolarHBondContact O-N 2.84Å; C6-G8 VanDerWaalsContact C-N 3.35Å; C6-G8 PolarHBondContact O-N 3.45Å
7N35.1Very low46Very low147 Ų147138.6 Ų138.679%0.78679%0.788SS**  trans-74.388.1165.6-94.3-15000109.6V5 T9V5-N7 PolarHBondContact O-N 3.1Å; V5-N7 VanDerWaalsContact O-N 3.12Å; N7-T9 PolarHBondContact O-N 3.45Å; N7-T9 VanDerWaalsContact O-N 3.16Å
8G33.1Very low48.6Very low66 Ų66133.2 Ų133.268%0.6876%0.756SS**  trans-77.984.8165.600000110.5C6 H10C6-G8 VanDerWaalsContact C-N 3.35Å; C6-G8 PolarHBondContact O-N 3.45Å; G8-H10 VanDerWaalsContact C-N 3.27Å; G8-H10 PolarHBondContact O-N 3.04Å
9T35.3Very low51Low132 Ų132129.4 Ų129.481%0.8174%0.738SS**  trans-67.988.6163.540.30000108.9N7 N11N7-T9 PolarHBondContact O-N 3.45Å; N7-T9 VanDerWaalsContact O-N 3.16Å; T9-N11 VanDerWaalsContact C-N 3.32Å; T9-N11 PolarHBondContact O-N 2.89Å
10H38.6Very low53.2Low180 Ų180128.1 Ų128.183%0.83373%0.725SS**  trans-64.597162.7-84.8-63.4000108.5G8 K12G8-H10 VanDerWaalsContact C-N 3.27Å; G8-H10 PolarHBondContact O-N 3.04Å; H10-K12 VanDerWaalsContact C-N 3.29Å; H10-K12 PolarHBondContact O-N 3.24Å
11N34.7Very low55.2Low162 Ų162124 Ų12487%0.86670%0.7SS**  trans-65.490.5169.2-134.1-8.4000107.6T9 K13T9-N11 VanDerWaalsContact C-N 3.32Å; T9-N11 PolarHBondContact O-N 2.89Å; N11-K13 VanDerWaalsContact C-N 3.31Å; N11-K13 PolarHBondContact O-N 3.3Å
12K38.5Very low57.9Low200 Ų200111.9 Ų111.987%0.8764%0.641SS**  trans-64.193.6169-82.5-177.9176.6177.70107.2H10 A14H10-K12 VanDerWaalsContact C-N 3.29Å; H10-K12 PolarHBondContact O-N 3.24Å; K12-A14 PolarHBondContact O-N 2.9Å; K12-A14 VanDerWaalsContact O-N 3.09Å
13K43.4Very low60.8Low199 Ų199112.5 Ų112.587%0.86563%0.629SS**PPolyproline II helixtrans-51.8119.3161.9-95.4-176.3174.4-179.60106.7N11 L15N11-K13 VanDerWaalsContact C-N 3.31Å; N11-K13 PolarHBondContact O-N 3.3Å; K13-L15 PolarHBondContact O-N 3.25Å
14A54.8Low63.7Low91 Ų91107.7 Ų107.775%0.75261%0.613SS**PPolyproline II helixtrans-56.3126.3173.900000108.4K12 L16K12-A14 PolarHBondContact O-N 2.9Å; K12-A14 VanDerWaalsContact O-N 3.09Å; A14-L16 PolarHBondContact O-N 3.31Å
15L79Confident66.6Low174 Ų174101.9 Ų101.991%0.91158%0.577SS**PPolyproline II helixtrans-63.4125.5173.3-77.3157.2000107.8K13K13-L15 PolarHBondContact O-N 3.25Å
16L85.6Confident69.6Low94 Ų9496.9 Ų96.949%0.49255%0.545SS..PPolyproline II helixtrans-64141.2176.4-65.4175.4000109.7A14 Q20 L21A14-L16 PolarHBondContact O-N 3.31Å; L16-Q20 HydrophobicContact CB-CB 4.1Å; L16-Q20 HydrophobicContact CD2-CB 4.19Å; L16-L21 HydrophobicContact CB-CD2 3.8Å; L16-L21 HydrophobicContact CB-CG 3.81Å; L16-L21 HydrophobicContact CD1-CD2 3.89Å; L16-L21 HydrophobicContact CG-CD2 4.46Å
17S92.2Very high72.5Confident55 Ų5595.4 Ų95.439%0.38553%0.526SS..PPolyproline II helixtrans-70.2159.9170.961.60000111.5Q20 L21S17-Q20 WeakPolarHBondContact O-CB 3.27Å; S17-Q20 PolarHBondContact O-N 3.5Å; S17-Q20 VanDerWaalsContact OG-CD 3.27Å; S17-Q20 VanDerWaalsContact OG-CG 3.3Å; S17-Q20 WeakPolarHBondContact OG-CG 3.4Å; S17-Q20 PolarHBondContact OG-OE1 2.98Å; S17-L21 PolarHBondContact O-N 3.27Å
18D92.3Very high75.3Confident40 Ų4091.8 Ų91.821%0.21450%0.504CS..Hα-helixtrans-55.8-42.1179.4-74.8-14000113.2Q20 L21 F22 I70 R74D18-Q20 VanDerWaalsContact C-N 3.35Å; D18-Q20 PolarHBondContact O-N 2.89Å; D18-L21 PolarHBondContact O-N 2.95Å; D18-F22 VanDerWaalsContact O-CB 3.27Å; D18-F22 WeakPolarHBondContact O-CB 3.44Å; D18-F22 PolarHBondContact O-N 2.69Å; D18-I70 HydrophobicContact CB-CG2 4.33Å; D18-R74 IonicContact OD1-CZ 3.16Å; D18-R74 IonicContact OD1-NE 2.85Å; D18-R74 PolarHBondContact OD1-NE 2.71Å; D18-R74 VanDerWaalsContact OD1-NE 3.14Å; D18-R74 IonicContact OD1-NH2 3.56Å; D18-R74 PolarHBondContact OD1-NH2 3.38Å; D18-R74 WeakPolarHBondContact OD2-CD 3.34Å; D18-R74 IonicContact OD2-CZ 3.71Å; D18-R74 IonicContact OD2-NE 2.95Å; D18-R74 PolarHBondContact OD2-NE 2.95Å
19P94.3Very high78.4Confident62 Ų6288.6 Ų88.640%0.40347%0.472SS..Hα-helixtrans-59.6-40.1171.9-26.736.3000114.1F22 D23 L67P19-F22 PolarHBondContact O-N 3.49Å; P19-D23 WeakPolarHBondContact O-CB 3.4Å; P19-D23 PolarHBondContact O-N 3.38Å; P19-L67 HydrophobicContact CB-CD2 4.46Å; P19-L67 HydrophobicContact CG-CD1 4.3Å; P19-L67 HydrophobicContact CG-CD2 4.29Å
20Q94.5Very high81.3Confident103 Ų10382.3 Ų82.348%0.48143%0.433SS..Hα-helixtrans-68.8-38.7177.9-70.5169-47.700111.7L16 S17 D18 A24L16-Q20 HydrophobicContact CB-CB 4.1Å; L16-Q20 HydrophobicContact CD2-CB 4.19Å; S17-Q20 WeakPolarHBondContact O-CB 3.27Å; S17-Q20 PolarHBondContact O-N 3.5Å; S17-Q20 VanDerWaalsContact OG-CD 3.27Å; S17-Q20 VanDerWaalsContact OG-CG 3.3Å; S17-Q20 WeakPolarHBondContact OG-CG 3.4Å; S17-Q20 PolarHBondContact OG-OE1 2.98Å; D18-Q20 VanDerWaalsContact C-N 3.35Å; D18-Q20 PolarHBondContact O-N 2.89Å; Q20-A24 VanDerWaalsContact O-CB 3.25Å; Q20-A24 WeakPolarHBondContact O-CB 3.49Å; Q20-A24 PolarHBondContact O-N 2.71Å
21L94.4Very high84Confident41 Ų4175 Ų7522%0.21540%0.401CS..Hα-helixtrans-65.6-41.9173.7-71.1172.6000111.6L16 S17 D18 K25 L91L16-L21 HydrophobicContact CB-CD2 3.8Å; L16-L21 HydrophobicContact CB-CG 3.81Å; L16-L21 HydrophobicContact CD1-CD2 3.89Å; L16-L21 HydrophobicContact CG-CD2 4.46Å; S17-L21 PolarHBondContact O-N 3.27Å; D18-L21 PolarHBondContact O-N 2.95Å; L21-K25 WeakPolarHBondContact O-CB 3.43Å; L21-K25 PolarHBondContact O-N 3.23Å; L21-K25 VanDerWaalsContact O-N 3.08Å; L21-L91 HydrophobicContact CB-CD1 3.88Å; L21-L91 HydrophobicContact CB-CD2 4.43Å
22F96.4Very high86.8Confident0 Ų067.4 Ų67.40%036%0.36CS..Hα-helixtrans-61.6-50.5177.6-165.1-104.9000110.4D18 P19 A24 K25 F26 K63 L67 L91 W95 E98D18-F22 VanDerWaalsContact O-CB 3.27Å; D18-F22 WeakPolarHBondContact O-CB 3.44Å; D18-F22 PolarHBondContact O-N 2.69Å; P19-F22 PolarHBondContact O-N 3.49Å; F22-A24 PolarHBondContact O-N 2.74Å; F22-K25 WeakPolarHBondContact O-CB 3.41Å; F22-K25 PolarHBondContact O-N 3.12Å; F22-K25 VanDerWaalsContact O-N 3.08Å; F22-F26 PolarHBondContact O-N 3.08Å; F22-K63 HydrophobicContact CD1-CB 4.26Å; F22-K63 HydrophobicContact CD1-CD 3.94Å; F22-K63 HydrophobicContact CE1-CB 3.89Å; F22-K63 HydrophobicContact CE1-CD 4Å; F22-K63 HydrophobicContact CE1-CG 4.15Å; F22-L67 HydrophobicContact CB-CD2 3.76Å; F22-L67 HydrophobicContact CD1-CD2 4.21Å; F22-L67 HydrophobicContact CD1-CG 4.47Å; F22-L67 HydrophobicContact CD2-CD2 4.4Å; F22-L67 HydrophobicContact CG-CD2 3.88Å; F22-L91 HydrophobicContact CB-CD2 4.06Å; F22-L91 HydrophobicContact CD2-CB 4.31Å; F22-L91 HydrophobicContact CD2-CD2 3.79Å; F22-L91 WeakPolarHBondContact CE2-O 3.39Å; F22-L91 HydrophobicContact CG-CD2 4.44Å; F22-W95 HydrophobicContact CD1-CD2 4.33Å; F22-W95 AromaticContact CD1-CE2 3.56Å; F22-W95 HydrophobicContact CD1-CH2 4.01Å; F22-W95 AromaticContact CD1-CZ2 3.37Å; F22-W95 HydrophobicContact CD1-CZ2 3.37Å; F22-W95 AromaticContact CD1-NE1 3.85Å; F22-W95 AromaticContact CD2-NE1 3.85Å; F22-W95 AromaticContact CE1-CD2 3.61Å; F22-W95 HydrophobicContact CE1-CD2 3.61Å; F22-W95 AromaticContact CE1-CE2 3.31Å; F22-W95 AromaticContact CE1-CE3 3.89Å; F22-W95 HydrophobicContact CE1-CE3 3.89Å; F22-W95 HydrophobicContact CE1-CG 4.28Å; F22-W95 AromaticContact CE1-CH2 3.64Å; F22-W95 HydrophobicContact CE1-CH2 3.64Å; F22-W95 AromaticContact CE1-CZ2 3.32Å; F22-W95 HydrophobicContact CE1-CZ2 3.32Å; F22-W95 AromaticContact CE1-CZ3 3.89Å; F22-W95 HydrophobicContact CE1-CZ3 3.89Å; F22-W95 AromaticContact CE1-NE1 3.84Å; F22-W95 AromaticContact CE2-CD1 3.76Å; F22-W95 HydrophobicContact CE2-CD2 4.19Å; F22-W95 AromaticContact CE2-CG 3.99Å; F22-W95 HydrophobicContact CE2-CG 3.99Å; F22-W95 AromaticContact CE2-NE1 3.84Å; F22-W95 HydrophobicContact CG-CZ2 4.18Å; F22-W95 AromaticContact CG-NE1 3.85Å; F22-W95 HydrophobicContact CZ-CB 4.43Å; F22-W95 AromaticContact CZ-CD1 3.9Å; F22-W95 AromaticContact CZ-CD2 3.53Å; F22-W95 HydrophobicContact CZ-CD2 3.53Å; F22-W95 AromaticContact CZ-CE2 3.6Å; F22-W95 AromaticContact CZ-CE3 3.98Å; F22-W95 HydrophobicContact CZ-CE3 3.98Å; F22-W95 AromaticContact CZ-CG 3.74Å; F22-W95 HydrophobicContact CZ-CG 3.74Å; F22-W95 HydrophobicContact CZ-CZ2 4.1Å; F22-W95 HydrophobicContact CZ-CZ3 4.44Å; F22-W95 AromaticContact CZ-NE1 3.83Å; F22-W95 WeakPolarHBondContact O-CZ2 3.49Å; F22-W95 PolarHBondContact O-NE1 3.45Å; F22-E98 HydrophobicContact CE1-CG 4.25Å; F22-E98 HydrophobicContact CZ-CG 4.04Å
23D95.3Very high89.5Confident75 Ų7558 Ų5840%0.40132%0.32SS..Hα-helixtrans-63.2-41.6178.9-72.3-5.7000112.6P19 K25 F26 K63P19-D23 WeakPolarHBondContact O-CB 3.4Å; P19-D23 PolarHBondContact O-N 3.38Å; D23-K25 PolarHBondContact O-N 3.31Å; D23-F26 WeakPolarHBondContact O-CB 3.13Å; D23-F26 PolarHBondContact O-N 2.7Å; D23-K63 WeakPolarHBondContact OD1-CD 3.38Å; D23-K63 IonicContact OD1-NZ 3.08Å; D23-K63 PolarHBondContact OD1-NZ 3.01Å; D23-K63 IonicContact OD2-NZ 2.73Å; D23-K63 PolarHBondContact OD2-NZ 2.81Å
24A94.5Very high91.9Very high66 Ų6649 Ų4955%0.54528%0.281SS..Hα-helixtrans-62.5-28.3175.500000112.9Q20 F22 F26Q20-A24 VanDerWaalsContact O-CB 3.25Å; Q20-A24 WeakPolarHBondContact O-CB 3.49Å; Q20-A24 PolarHBondContact O-N 2.71Å; F22-A24 PolarHBondContact O-N 2.74Å; A24-F26 VanDerWaalsContact C-N 3.34Å
25K96.4Very high93.6Very high9 Ų949.8 Ų49.84%0.03927%0.269CS..Hα-helixtrans-72.6-27.4179-169.958.7172.2-174.20112.6L21 F22 D23 E27 E28 L29 L91L21-K25 WeakPolarHBondContact O-CB 3.43Å; L21-K25 PolarHBondContact O-N 3.23Å; L21-K25 VanDerWaalsContact O-N 3.08Å; F22-K25 WeakPolarHBondContact O-CB 3.41Å; F22-K25 PolarHBondContact O-N 3.12Å; F22-K25 VanDerWaalsContact O-N 3.08Å; D23-K25 PolarHBondContact O-N 3.31Å; K25-E27 PolarHBondContact O-N 2.78Å; K25-E28 HydrophobicContact CD-CB 4.5Å; K25-E28 WeakPolarHBondContact CD-OE2 3.49Å; K25-E28 IonicContact NZ-OE1 3.28Å; K25-E28 PolarHBondContact NZ-OE1 3.39Å; K25-E28 IonicContact NZ-OE2 3.62Å; K25-E28 PolarHBondContact NZ-OE2 2.7Å; K25-E28 WeakPolarHBondContact O-CB 3.34Å; K25-E28 PolarHBondContact O-N 3.2Å; K25-L29 HydrophobicContact CG-CD1 4.16Å; K25-L29 HydrophobicContact CG-CG 4.21Å; K25-L29 WeakPolarHBondContact O-CG 3.48Å; K25-L29 PolarHBondContact O-N 3.41Å; K25-L91 HydrophobicContact CB-CB 4.33Å; K25-L91 HydrophobicContact CG-CB 4.11Å
26F97.6Very high93.8Very high16 Ų1647.3 Ų47.37%0.0725%0.248CC..Hα-helixtrans-58.3-50.9-173-174.9-113.2000112.8F22 D23 A24 E28 L29 V30 L54 V58 P59 W95F22-F26 PolarHBondContact O-N 3.08Å; D23-F26 WeakPolarHBondContact O-CB 3.13Å; D23-F26 PolarHBondContact O-N 2.7Å; A24-F26 VanDerWaalsContact C-N 3.34Å; F26-E28 VanDerWaalsContact C-N 3.25Å; F26-E28 PolarHBondContact O-N 3.45Å; F26-L29 WeakPolarHBondContact O-CB 3.36Å; F26-L29 PolarHBondContact O-N 3.24Å; F26-V30 HydrophobicContact CD1-CG2 4.15Å; F26-V30 HydrophobicContact CD2-CG2 4.36Å; F26-V30 HydrophobicContact CE1-CG2 3.68Å; F26-V30 HydrophobicContact CE2-CG2 3.91Å; F26-V30 HydrophobicContact CG-CG2 4.47Å; F26-V30 HydrophobicContact CZ-CG2 3.54Å; F26-V30 WeakPolarHBondContact O-CG2 3.44Å; F26-V30 PolarHBondContact O-N 3.32Å; F26-L54 HydrophobicContact CZ-CB 4.37Å; F26-V58 HydrophobicContact CD2-CG1 4.47Å; F26-V58 HydrophobicContact CE2-CB 3.81Å; F26-V58 HydrophobicContact CE2-CG1 3.67Å; F26-V58 HydrophobicContact CZ-CB 4Å; F26-V58 HydrophobicContact CZ-CG1 4.37Å; F26-P59 HydrophobicContact CD1-CB 3.99Å; F26-P59 HydrophobicContact CD1-CG 4.29Å; F26-P59 HydrophobicContact CE1-CB 3.84Å; F26-P59 HydrophobicContact CE1-CG 3.67Å; F26-P59 HydrophobicContact CG-CB 4.41Å; F26-P59 HydrophobicContact CZ-CB 4.14Å; F26-P59 HydrophobicContact CZ-CG 3.94Å; F26-W95 HydrophobicContact CB-CD2 4.45Å; F26-W95 HydrophobicContact CB-CH2 4.06Å; F26-W95 HydrophobicContact CB-CZ2 3.55Å; F26-W95 AromaticContact CD2-CD2 3.8Å; F26-W95 HydrophobicContact CD2-CD2 3.8Å; F26-W95 AromaticContact CD2-CE2 3.93Å; F26-W95 AromaticContact CD2-CE3 3.62Å; F26-W95 HydrophobicContact CD2-CE3 3.62Å; F26-W95 AromaticContact CD2-CH2 3.79Å; F26-W95 HydrophobicContact CD2-CH2 3.79Å; F26-W95 AromaticContact CD2-CZ2 3.96Å; F26-W95 HydrophobicContact CD2-CZ2 3.96Å; F26-W95 AromaticContact CD2-CZ3 3.64Å; F26-W95 HydrophobicContact CD2-CZ3 3.64Å; F26-W95 HydrophobicContact CE2-CE3 4.15Å; F26-W95 HydrophobicContact CE2-CZ3 4.11Å; F26-W95 HydrophobicContact CG-CH2 4.02Å; F26-W95 HydrophobicContact CG-CZ2 4.01Å; F26-W95 HydrophobicContact CG-CZ3 4.33Å
27E95.6Very high93.5Very high91 Ų9144.4 Ų44.443%0.42523%0.233SC..Hα-helixtrans-61.4-35.3-178.1-175.855.8-141.800112.2K25 L29 V30 T31 R51K25-E27 PolarHBondContact O-N 2.78Å; E27-L29 VanDerWaalsContact C-N 3.33Å; E27-L29 PolarHBondContact O-N 3.41Å; E27-V30 PolarHBondContact O-N 2.75Å; E27-T31 VanDerWaalsContact O-CB 3.26Å; E27-T31 WeakPolarHBondContact O-CB 3.33Å; E27-T31 PolarHBondContact O-N 3.48Å; E27-T31 PolarHBondContact O-OG1 3.37Å; E27-T31 PolarHBondContact OE1-OG1 3.28Å; E27-R51 IonicContact OE1-CZ 2.71Å; E27-R51 IonicContact OE1-NH1 2.74Å; E27-R51 PolarHBondContact OE1-NH1 3.39Å; E27-R51 IonicContact OE1-NH2 3.54Å; E27-R51 IonicContact OE2-NH1 3.8Å
28E95.4Very high93Very high71 Ų7146.3 Ų46.333%0.33224%0.235SC..Hα-helixtrans-62.8-41.7175.5-170-166.5147.600111.3K25 F26 E32K25-E28 HydrophobicContact CD-CB 4.5Å; K25-E28 WeakPolarHBondContact CD-OE2 3.49Å; K25-E28 IonicContact NZ-OE1 3.28Å; K25-E28 PolarHBondContact NZ-OE1 3.39Å; K25-E28 IonicContact NZ-OE2 3.62Å; K25-E28 PolarHBondContact NZ-OE2 2.7Å; K25-E28 WeakPolarHBondContact O-CB 3.34Å; K25-E28 PolarHBondContact O-N 3.2Å; F26-E28 VanDerWaalsContact C-N 3.25Å; F26-E28 PolarHBondContact O-N 3.45Å; E28-E32 WeakPolarHBondContact O-CB 3.25Å; E28-E32 PolarHBondContact O-N 2.93Å
29L96.8Very high92.6Very high0 Ų052.3 Ų52.30%026%0.261CS..Hα-helixtrans-70.5-41.6179.5-59.7176.4000111.8K25 F26 E27 E32 L33 L92 W95 L147K25-L29 HydrophobicContact CG-CD1 4.16Å; K25-L29 HydrophobicContact CG-CG 4.21Å; K25-L29 WeakPolarHBondContact O-CG 3.48Å; K25-L29 PolarHBondContact O-N 3.41Å; F26-L29 WeakPolarHBondContact O-CB 3.36Å; F26-L29 PolarHBondContact O-N 3.24Å; E27-L29 VanDerWaalsContact C-N 3.33Å; E27-L29 PolarHBondContact O-N 3.41Å; L29-E32 PolarHBondContact O-N 3.24Å; L29-L33 WeakPolarHBondContact O-CG 3.33Å; L29-L33 PolarHBondContact O-N 3.3Å; L29-L92 HydrophobicContact CD2-CB 4.41Å; L29-L92 HydrophobicContact CD2-CD1 3.74Å; L29-L92 HydrophobicContact CD2-CG 4.07Å; L29-W95 HydrophobicContact CD1-CB 3.46Å; L29-W95 VanDerWaalsContact CD1-CB 3.46Å; L29-W95 HydrophobicContact CD1-CG 3.65Å; L29-L147 HydrophobicContact CB-CD1 4.19Å; L29-L147 HydrophobicContact CB-CD2 4.35Å; L29-L147 HydrophobicContact CD1-CD1 4.33Å; L29-L147 HydrophobicContact CD2-CD1 4.33Å; L29-L147 HydrophobicContact CD2-CD2 3.99Å
30V96.9Very high92.4Very high0 Ų053.9 Ų53.90%027%0.266CS..Hα-helixtrans-61.7-46.8175.4175.10000110.3F26 E27 E32 L33 T34 R51 L54F26-V30 HydrophobicContact CD1-CG2 4.15Å; F26-V30 HydrophobicContact CD2-CG2 4.36Å; F26-V30 HydrophobicContact CE1-CG2 3.68Å; F26-V30 HydrophobicContact CE2-CG2 3.91Å; F26-V30 HydrophobicContact CG-CG2 4.47Å; F26-V30 HydrophobicContact CZ-CG2 3.54Å; F26-V30 WeakPolarHBondContact O-CG2 3.44Å; F26-V30 PolarHBondContact O-N 3.32Å; E27-V30 PolarHBondContact O-N 2.75Å; V30-E32 VanDerWaalsContact C-N 3.32Å; V30-E32 PolarHBondContact O-N 3.34Å; V30-L33 PolarHBondContact O-N 3.17Å; V30-T34 HydrophobicContact CG1-CG2 4.38Å; V30-T34 WeakPolarHBondContact O-CB 3.26Å; V30-T34 WeakPolarHBondContact O-CG2 3.44Å; V30-T34 PolarHBondContact O-N 3.07Å; V30-T34 PolarHBondContact O-OG1 2.93Å; V30-R51 HydrophobicContact CG1-CB 4.41Å; V30-R51 HydrophobicContact CG1-CG 3.79Å; V30-L54 HydrophobicContact CG1-CD1 4.48Å; V30-L54 HydrophobicContact CG2-CB 4.14Å; V30-L54 HydrophobicContact CG2-CD1 4.24Å
31T94.8Very high92.3Very high26 Ų2654.1 Ų54.116%0.1628%0.277CS..Hα-helixtrans-60.9-40.7175.6-630000111.6E27 L33 T34 E35 R51E27-T31 VanDerWaalsContact O-CB 3.26Å; E27-T31 WeakPolarHBondContact O-CB 3.33Å; E27-T31 PolarHBondContact O-N 3.48Å; E27-T31 PolarHBondContact O-OG1 3.37Å; E27-T31 PolarHBondContact OE1-OG1 3.28Å; T31-L33 PolarHBondContact O-N 2.93Å; T31-T34 PolarHBondContact O-N 3.4Å; T31-E35 HydrophobicContact CG2-CB 4.41Å; T31-E35 WeakPolarHBondContact O-CB 3.29Å; T31-E35 PolarHBondContact O-N 3.28Å; T31-R51 PolarHBondContact OG1-NH2 2.97Å
32E93.7Very high92.3Very high2 Ų255.4 Ų55.41%0.00930%0.3CS..Iπ-helixtrans-59.7-47.1176179153.4125.400112.2E28 L29 V30 R36 D37 L147 R150 Q151E28-E32 WeakPolarHBondContact O-CB 3.25Å; E28-E32 PolarHBondContact O-N 2.93Å; L29-E32 PolarHBondContact O-N 3.24Å; V30-E32 VanDerWaalsContact C-N 3.32Å; V30-E32 PolarHBondContact O-N 3.34Å; E32-R36 WeakPolarHBondContact O-CB 3.45Å; E32-R36 PolarHBondContact O-N 2.98Å; E32-R36 IonicContact OE2-NH1 3.69Å; E32-D37 WeakPolarHBondContact O-CB 3.31Å; E32-D37 PolarHBondContact O-N 2.98Å; E32-L147 HydrophobicContact CG-CD2 4.43Å; E32-R150 WeakPolarHBondContact OE1-CD 3.34Å; E32-R150 WeakPolarHBondContact OE1-CG 3.46Å; E32-R150 IonicContact OE1-NE 2.81Å; E32-R150 PolarHBondContact OE1-NE 2.89Å; E32-R150 IonicContact OE2-NE 3.91Å; E32-R150 PolarHBondContact OE2-NE 3.38Å; E32-R150 IonicContact OE2-NH2 2.79Å; E32-Q151 PolarHBondContact OE1-NE2 3.49Å; E32-Q151 PolarHBondContact OE2-NE2 2.99Å
33L95.3Very high92.3Very high3 Ų358.5 Ų58.52%0.01632%0.316CS..Iπ-helixtrans-68.8-34.2-179.5-73.2166.2000113.5L29 V30 T31 L50 L54 M99 R146 L147L29-L33 WeakPolarHBondContact O-CG 3.33Å; L29-L33 PolarHBondContact O-N 3.3Å; V30-L33 PolarHBondContact O-N 3.17Å; T31-L33 PolarHBondContact O-N 2.93Å; L33-L50 HydrophobicContact CB-CD2 4.33Å; L33-L54 HydrophobicContact CD1-CD1 3.8Å; L33-M99 HydrophobicContact CD1-CE 4.14Å; L33-R146 HydrophobicContact CD2-CB 3.97Å; L33-L147 HydrophobicContact CD1-CD1 4.02Å; L33-L147 HydrophobicContact CD1-CD2 4.21Å; L33-L147 HydrophobicContact CD1-CG 4.11Å; L33-L147 HydrophobicContact CD2-CD2 4.11Å; L33-L147 HydrophobicContact CD2-CG 4.1Å; L33-L147 HydrophobicContact CG-CD2 3.89Å; L33-L147 HydrophobicContact CG-CG 4.17Å
34T94.8Very high92.3Very high9 Ų958.3 Ų58.36%0.05532%0.318CS..Iπ-helixtrans-102.2-20.5-167.459.20000113.9V30 T31 L50 R51V30-T34 HydrophobicContact CG1-CG2 4.38Å; V30-T34 WeakPolarHBondContact O-CB 3.26Å; V30-T34 WeakPolarHBondContact O-CG2 3.44Å; V30-T34 PolarHBondContact O-N 3.07Å; V30-T34 PolarHBondContact O-OG1 2.93Å; T31-T34 PolarHBondContact O-N 3.4Å; T34-L50 HydrophobicContact CG2-CB 4.28Å; T34-L50 HydrophobicContact CG2-CD2 4.16Å; T34-L50 HydrophobicContact CG2-CG 4.07Å; T34-R51 HydrophobicContact CG2-CB 3.88Å; T34-R51 PolarHBondContact OG1-NE 3.36Å; T34-R51 PolarHBondContact OG1-NH2 3.42Å
35E90.1Very high92.3Very high108 Ų10861.6 Ų61.651%0.50533%0.326SS..Iπ-helixtrans-124.6-24.7-175-62.3175-157.300114.2T31 R51T31-E35 HydrophobicContact CG2-CB 4.41Å; T31-E35 WeakPolarHBondContact O-CB 3.29Å; T31-E35 PolarHBondContact O-N 3.28Å; E35-R51 IonicContact OE1-CZ 2.87Å; E35-R51 IonicContact OE1-NH2 2.77Å; E35-R51 PolarHBondContact OE1-NH2 3.42Å
36R84.1Confident92.4Very high123 Ų12363.9 Ų63.946%0.46435%0.347SS..Iπ-helixtrans-102.7-28.3-173.6-59.7-175.6179.7168-1.5113.8E32E32-R36 WeakPolarHBondContact O-CB 3.45Å; E32-R36 PolarHBondContact O-N 2.98Å; E32-R36 IonicContact OE2-NH1 3.69Å
37D79.4Confident92.4Very high33 Ų3364 Ų6418%0.17635%0.348CS..SBendtrans-85.6-28.7-168.4-106.723.7000112.8E32 R146 R150E32-D37 WeakPolarHBondContact O-CB 3.31Å; E32-D37 PolarHBondContact O-N 2.98Å; D37-R146 IonicContact OD2-CZ 2.71Å; D37-R146 IonicContact OD2-NE 3.16Å; D37-R146 PolarHBondContact OD2-NE 3.17Å; D37-R146 IonicContact OD2-NH2 3.77Å; D37-R146 PolarHBondContact OD2-NH2 3.33Å; D37-R150 IonicContact OD1-CZ 2.68Å; D37-R150 IonicContact OD1-NE 3.31Å; D37-R150 IonicContact OD1-NH1 2.61Å; D37-R150 PolarHBondContact OD1-NH1 3.49Å
38F81.2Confident92.4Very high95 Ų9564.2 Ų64.242%0.41735%0.352SS..  trans-138.9138.2170.2-68.3-65.7000110.1L43 L47F38-L43 HydrophobicContact CB-CD1 4.18Å; F38-L43 HydrophobicContact CD1-CD1 4.35Å; F38-L43 HydrophobicContact CD2-CD1 4.49Å; F38-L43 HydrophobicContact CG-CD1 4.13Å; F38-L47 HydrophobicContact CB-CD1 4.18Å; F38-L47 HydrophobicContact CD2-CD2 4.39Å
39Q83.1Confident92.5Very high166 Ų16663.4 Ų63.478%0.77635%0.346SS*.  trans-12412.5178.3-63.3-174.9-9.700112.1P41Q39-P41 VanDerWaalsContact O-CD 3.27Å; Q39-P41 WeakPolarHBondContact O-CD 3.42Å
40D90.6Very high92.6Very high95 Ų9564.2 Ų64.251%0.50835%0.35SS..  trans-68.9118175.6-170.9-29.2000109.2G42 L43D40-G42 PolarHBondContact O-N 3.49Å; D40-G42 VanDerWaalsContact O-N 3.1Å; D40-G42 PolarHBondContact OD1-N 3.03Å; D40-L43 HydrophobicContact CB-CD1 4.13Å; D40-L43 HydrophobicContact CB-CG 4.17Å; D40-L43 PolarHBondContact O-N 2.96Å
41P91.1Very high92.7Very high107 Ų10766.5 Ų66.570%0.69536%0.359SS*.G310 helixtrans-57.6-24.7178.6-24.335.4000113.6Q39 L43 V44Q39-P41 VanDerWaalsContact O-CD 3.27Å; Q39-P41 WeakPolarHBondContact O-CD 3.42Å; P41-L43 PolarHBondContact O-N 3.02Å; P41-V44 WeakPolarHBondContact O-CG2 3.49Å; P41-V44 PolarHBondContact O-N 2.87Å
42G95.5Very high92.8Very high69 Ų6968.6 Ų68.671%0.71137%0.367SS*.G310 helixtrans-69.5-12.9176.100000114.4D40D40-G42 PolarHBondContact O-N 3.49Å; D40-G42 VanDerWaalsContact O-N 3.1Å; D40-G42 PolarHBondContact OD1-N 3.03Å
43L95.4Very high93.1Very high64 Ų6468.5 Ų68.534%0.33537%0.366SS..G310 helixtrans-102.4-0.4179.9-63.4179.3000113.8F38 D40 P41 D45 A46 L47F38-L43 HydrophobicContact CB-CD1 4.18Å; F38-L43 HydrophobicContact CD1-CD1 4.35Å; F38-L43 HydrophobicContact CD2-CD1 4.49Å; F38-L43 HydrophobicContact CG-CD1 4.13Å; D40-L43 HydrophobicContact CB-CD1 4.13Å; D40-L43 HydrophobicContact CB-CG 4.17Å; D40-L43 PolarHBondContact O-N 2.96Å; P41-L43 PolarHBondContact O-N 3.02Å; L43-D45 VanDerWaalsContact C-N 3.31Å; L43-D45 PolarHBondContact O-N 2.91Å; L43-A46 PolarHBondContact O-N 3.18Å; L43-L47 HydrophobicContact CB-CD1 4.14Å; L43-L47 HydrophobicContact CB-CG 4.34Å; L43-L47 WeakPolarHBondContact O-CG 3.35Å; L43-L47 PolarHBondContact O-N 3.5Å
44V95.4Very high93.2Very high71 Ų7168.3 Ų68.343%0.4337%0.365SS..Hα-helixtrans-53.8-45.5-173.2168.20000112.2P41 A46 L47 N48P41-V44 WeakPolarHBondContact O-CG2 3.49Å; P41-V44 PolarHBondContact O-N 2.87Å; V44-A46 PolarHBondContact O-N 3.31Å; V44-L47 PolarHBondContact O-N 3.01Å; V44-N48 WeakPolarHBondContact O-CB 3.43Å; V44-N48 PolarHBondContact O-N 3.27Å; V44-N48 PolarHBondContact O-ND2 3.06Å
45D96.3Very high93.3Very high135 Ų13571 Ų7172%0.72238%0.38SS*.Hα-helixtrans-66.1-37.6-179.9-67-23.2000112.4L43 N48 R49L43-D45 VanDerWaalsContact C-N 3.31Å; L43-D45 PolarHBondContact O-N 2.91Å; D45-N48 PolarHBondContact O-N 2.86Å; D45-R49 WeakPolarHBondContact O-CB 3.44Å; D45-R49 PolarHBondContact O-N 3.39Å
46A97.1Very high93.7Very high57 Ų5768.4 Ų68.447%0.47137%0.365SS..Hα-helixtrans-69.6-36.7176.300000112.2L43 V44 R49 L50L43-A46 PolarHBondContact O-N 3.18Å; V44-A46 PolarHBondContact O-N 3.31Å; A46-R49 WeakPolarHBondContact O-CB 3.47Å; A46-R49 PolarHBondContact O-N 3.35Å; A46-L50 PolarHBondContact O-N 2.87Å
47L97.1Very high94.4Very high20 Ų2063.5 Ų63.511%0.10535%0.348CS..Hα-helixtrans-71.1-37.7176-66.2168.2000111.6F38 L43 V44 R49 L50 R51F38-L47 HydrophobicContact CB-CD1 4.18Å; F38-L47 HydrophobicContact CD2-CD2 4.39Å; L43-L47 HydrophobicContact CB-CD1 4.14Å; L43-L47 HydrophobicContact CB-CG 4.34Å; L43-L47 WeakPolarHBondContact O-CG 3.35Å; L43-L47 PolarHBondContact O-N 3.5Å; V44-L47 PolarHBondContact O-N 3.01Å; L47-R49 VanDerWaalsContact C-N 3.32Å; L47-L50 PolarHBondContact O-N 3.17Å; L47-R51 PolarHBondContact O-N 3.01Å
48N97.1Very high95.2Very high95 Ų9561.9 Ų61.951%0.50834%0.34SS..Hα-helixtrans-61.9-42171-72.2-26.1000111.2V44 D45 R51 E52V44-N48 WeakPolarHBondContact O-CB 3.43Å; V44-N48 PolarHBondContact O-N 3.27Å; V44-N48 PolarHBondContact O-ND2 3.06Å; D45-N48 PolarHBondContact O-N 2.86Å; N48-R51 PolarHBondContact O-N 2.72Å; N48-E52 PolarHBondContact O-N 2.92Å
49R97.7Very high95.7Very high53 Ų5359.1 Ų59.120%0.233%0.331CS..Hα-helixtrans-60.7-46.1172.6175.352.6167.3-143.7-10.3111.8D45 A46 L47 R51 E52 I53 W123 I129 D136D45-R49 WeakPolarHBondContact O-CB 3.44Å; D45-R49 PolarHBondContact O-N 3.39Å; A46-R49 WeakPolarHBondContact O-CB 3.47Å; A46-R49 PolarHBondContact O-N 3.35Å; L47-R49 VanDerWaalsContact C-N 3.32Å; R49-R51 VanDerWaalsContact C-N 3.32Å; R49-R51 PolarHBondContact O-N 3.47Å; R49-E52 IonicContact NH1-OE2 3.6Å; R49-E52 PolarHBondContact NH1-OE2 3.45Å; R49-E52 WeakPolarHBondContact O-CB 3.39Å; R49-E52 PolarHBondContact O-N 2.93Å; R49-I53 HydrophobicContact CG-CD1 3.82Å; R49-I53 HydrophobicContact CG-CG1 4.42Å; R49-I53 WeakPolarHBondContact O-CD1 3.31Å; R49-I53 VanDerWaalsContact O-CG1 3.25Å; R49-I53 WeakPolarHBondContact O-CG1 3.15Å; R49-I53 PolarHBondContact O-N 3.31Å; R49-W123 VanDerWaalsContact CZ-CZ2 3.44Å; R49-I129 VanDerWaalsContact CZ-CD1 3.41Å; R49-D136 IonicContact CZ-OD2 2.67Å; R49-D136 IonicContact NE-OD1 3.41Å; R49-D136 PolarHBondContact NE-OD1 3.08Å; R49-D136 IonicContact NE-OD2 3.39Å; R49-D136 PolarHBondContact NE-OD2 3.38Å; R49-D136 IonicContact NH2-OD1 3.23Å; R49-D136 IonicContact NH2-OD2 3.14Å; R49-D136 PolarHBondContact NH2-OD2 3.48Å
50L98.2Very high95.9Very high17 Ų1752.5 Ų52.59%0.08931%0.308CS..Hα-helixtrans-57-44.9176.1178.459.7000112L33 T34 A46 L47 E52 I53 L54 L139L33-L50 HydrophobicContact CB-CD2 4.33Å; T34-L50 HydrophobicContact CG2-CB 4.28Å; T34-L50 HydrophobicContact CG2-CD2 4.16Å; T34-L50 HydrophobicContact CG2-CG 4.07Å; A46-L50 PolarHBondContact O-N 2.87Å; L47-L50 PolarHBondContact O-N 3.17Å; L50-E52 PolarHBondContact O-N 3.33Å; L50-I53 PolarHBondContact O-N 3.31Å; L50-L54 HydrophobicContact CD1-CD1 4.01Å; L50-L54 HydrophobicContact CD1-CG 4.05Å; L50-L54 HydrophobicContact CG-CD1 4Å; L50-L54 HydrophobicContact CG-CG 4.45Å; L50-L54 VanDerWaalsContact O-CG 3.31Å; L50-L54 WeakPolarHBondContact O-CG 3.41Å; L50-L54 PolarHBondContact O-N 3.19Å; L50-L139 HydrophobicContact CD1-CB 4.2Å
51R98.1Very high95.7Very high49 Ų4950.4 Ų50.419%0.18531%0.309CS..Hα-helixtrans-56.9-49.7174.8-174.7171.5-85.2-93.811.9111.2E27 V30 T31 T34 E35 L47 N48 R49 I53 L54 D55E27-R51 IonicContact OE1-CZ 2.71Å; E27-R51 IonicContact OE1-NH1 2.74Å; E27-R51 PolarHBondContact OE1-NH1 3.39Å; E27-R51 IonicContact OE1-NH2 3.54Å; E27-R51 IonicContact OE2-NH1 3.8Å; V30-R51 HydrophobicContact CG1-CB 4.41Å; V30-R51 HydrophobicContact CG1-CG 3.79Å; T31-R51 PolarHBondContact OG1-NH2 2.97Å; T34-R51 HydrophobicContact CG2-CB 3.88Å; T34-R51 PolarHBondContact OG1-NE 3.36Å; T34-R51 PolarHBondContact OG1-NH2 3.42Å; E35-R51 IonicContact OE1-CZ 2.87Å; E35-R51 IonicContact OE1-NH2 2.77Å; E35-R51 PolarHBondContact OE1-NH2 3.42Å; L47-R51 PolarHBondContact O-N 3.01Å; N48-R51 PolarHBondContact O-N 2.72Å; R49-R51 VanDerWaalsContact C-N 3.32Å; R49-R51 PolarHBondContact O-N 3.47Å; R51-I53 VanDerWaalsContact C-N 3.33Å; R51-I53 PolarHBondContact O-N 3.21Å; R51-L54 PolarHBondContact O-N 3.06Å; R51-D55 WeakPolarHBondContact CG-OD2 3.46Å; R51-D55 WeakPolarHBondContact O-CB 3.44Å; R51-D55 PolarHBondContact O-N 3.32Å
52E98.3Very high95.6Very high69 Ų6949.6 Ų49.632%0.32229%0.294SS..Hα-helixtrans-58.8-42.9178.4-164.7-168.2-175.600112.4N48 R49 L50 Y56 W123 R126N48-E52 PolarHBondContact O-N 2.92Å; R49-E52 IonicContact NH1-OE2 3.6Å; R49-E52 PolarHBondContact NH1-OE2 3.45Å; R49-E52 WeakPolarHBondContact O-CB 3.39Å; R49-E52 PolarHBondContact O-N 2.93Å; L50-E52 PolarHBondContact O-N 3.33Å; E52-Y56 VanDerWaalsContact O-CB 3.28Å; E52-Y56 WeakPolarHBondContact O-CB 3.2Å; E52-Y56 PolarHBondContact O-N 2.94Å; E52-Y56 VanDerWaalsContact O-N 3.09Å; E52-W123 HydrophobicContact CB-CH2 4.37Å; E52-W123 HydrophobicContact CG-CH2 3.86Å; E52-W123 HydrophobicContact CG-CZ3 4.38Å; E52-R126 IonicContact OE1-CZ 2.59Å; E52-R126 IonicContact OE1-NH1 3.23Å; E52-R126 PolarHBondContact OE1-NH1 2.82Å; E52-R126 IonicContact OE1-NH2 2.98Å; E52-R126 PolarHBondContact OE1-NH2 3.04Å; E52-R126 VanDerWaalsContact OE1-NH2 3.08Å
53I98.3Very high95.6Very high0 Ų047.8 Ų47.80%027%0.267CS..Hα-helixtrans-60.9-49.3177.8-65.5157.4000110.3R49 L50 R51 N57 M106 W123 D136 L139 V140R49-I53 HydrophobicContact CG-CD1 3.82Å; R49-I53 HydrophobicContact CG-CG1 4.42Å; R49-I53 WeakPolarHBondContact O-CD1 3.31Å; R49-I53 VanDerWaalsContact O-CG1 3.25Å; R49-I53 WeakPolarHBondContact O-CG1 3.15Å; R49-I53 PolarHBondContact O-N 3.31Å; L50-I53 PolarHBondContact O-N 3.31Å; R51-I53 VanDerWaalsContact C-N 3.33Å; R51-I53 PolarHBondContact O-N 3.21Å; I53-N57 WeakPolarHBondContact O-CB 3.5Å; I53-N57 PolarHBondContact O-N 3.22Å; I53-N57 PolarHBondContact O-ND2 3.33Å; I53-M106 HydrophobicContact CG2-CE 3.84Å; I53-M106 HydrophobicContact CG2-SD 4.19Å; I53-W123 HydrophobicContact CB-CZ2 4.4Å; I53-W123 HydrophobicContact CG1-CH2 4.14Å; I53-W123 HydrophobicContact CG1-CZ2 3.53Å; I53-D136 HydrophobicContact CD1-CB 3.52Å; I53-D136 VanDerWaalsContact CD1-CG 3.46Å; I53-D136 VanDerWaalsContact CD1-OD1 3.29Å; I53-D136 WeakPolarHBondContact CD1-OD1 3.48Å; I53-D136 HydrophobicContact CG1-CB 3.92Å; I53-D136 HydrophobicContact CG2-CB 4.38Å; I53-L139 HydrophobicContact CD1-CD1 4.24Å; I53-V140 HydrophobicContact CG2-CG2 3.4Å; I53-V140 VanDerWaalsContact CG2-CG2 3.4Å
54L98.4Very high95.5Very high0 Ų047.3 Ų47.30%027%0.265CS..Hα-helixtrans-64-49.4-177.4-68.2172.2000110.9F26 V30 L33 L50 R51 Y56 N57 V58 P59 M99 V140F26-L54 HydrophobicContact CZ-CB 4.37Å; V30-L54 HydrophobicContact CG1-CD1 4.48Å; V30-L54 HydrophobicContact CG2-CB 4.14Å; V30-L54 HydrophobicContact CG2-CD1 4.24Å; L33-L54 HydrophobicContact CD1-CD1 3.8Å; L50-L54 HydrophobicContact CD1-CD1 4.01Å; L50-L54 HydrophobicContact CD1-CG 4.05Å; L50-L54 HydrophobicContact CG-CD1 4Å; L50-L54 HydrophobicContact CG-CG 4.45Å; L50-L54 VanDerWaalsContact O-CG 3.31Å; L50-L54 WeakPolarHBondContact O-CG 3.41Å; L50-L54 PolarHBondContact O-N 3.19Å; R51-L54 PolarHBondContact O-N 3.06Å; L54-Y56 VanDerWaalsContact C-N 3.29Å; L54-Y56 PolarHBondContact O-N 3.49Å; L54-N57 PolarHBondContact O-N 3.36Å; L54-V58 HydrophobicContact CD2-CG2 3.93Å; L54-V58 VanDerWaalsContact O-CB 3.28Å; L54-V58 WeakPolarHBondContact O-CB 3.36Å; L54-V58 WeakPolarHBondContact O-CG2 3.31Å; L54-V58 PolarHBondContact O-N 2.83Å; L54-P59 WeakPolarHBondContact O-CD 3.07Å; L54-M99 HydrophobicContact CD2-CE 4.1Å; L54-M99 HydrophobicContact CD2-SD 4.38Å; L54-V140 HydrophobicContact CD2-CG2 4.36Å
55D97.9Very high95.5Very high66 Ų6645.2 Ų45.235%0.35325%0.249SC..Hα-helixtrans-62.4-35.9-177.8-71.4-21.5000112.5R51 P59R51-D55 WeakPolarHBondContact CG-OD2 3.46Å; R51-D55 WeakPolarHBondContact O-CB 3.44Å; R51-D55 PolarHBondContact O-N 3.32Å; D55-P59 VanDerWaalsContact O-CD 3.3Å; D55-P59 WeakPolarHBondContact O-CD 3.42Å; D55-P59 WeakPolarHBondContact O-CG 3.15Å
56Y98.1Very high95.5Very high52 Ų5238.8 Ų38.820%0.20422%0.215CC..Hα-helixtrans-78.5-45-180-166.7-86.2000112.5E52 L54 Q120 P121 W123E52-Y56 VanDerWaalsContact O-CB 3.28Å; E52-Y56 WeakPolarHBondContact O-CB 3.2Å; E52-Y56 PolarHBondContact O-N 2.94Å; E52-Y56 VanDerWaalsContact O-N 3.09Å; L54-Y56 VanDerWaalsContact C-N 3.29Å; L54-Y56 PolarHBondContact O-N 3.49Å; Y56-Q120 VanDerWaalsContact CE2-OE1 3.27Å; Y56-Q120 WeakPolarHBondContact OH-CB 3.06Å; Y56-P121 WeakPolarHBondContact CE1-O 3.25Å; Y56-P121 PolarHBondContact OH-O 3.37Å; Y56-W123 AromaticContact CD1-CE3 3.51Å; Y56-W123 HydrophobicContact CD1-CE3 3.51Å; Y56-W123 AromaticContact CD1-CZ3 3.99Å; Y56-W123 HydrophobicContact CD1-CZ3 3.99Å; Y56-W123 HydrophobicContact CD2-CZ3 4.28Å; Y56-W123 HydrophobicContact CE1-CE3 4.07Å; Y56-W123 AromaticContact CG-CE3 3.76Å; Y56-W123 HydrophobicContact CG-CE3 3.76Å; Y56-W123 AromaticContact CG-CZ3 3.71Å; Y56-W123 HydrophobicContact CG-CZ3 3.71Å
57N97.9Very high95.5Very high20 Ų2037.4 Ų37.411%0.10720%0.199CC..Hα-helixtrans-95.6-26.7-165.6-64.9-72.5000113.9I53 L54 A102 M106 R118 W123I53-N57 WeakPolarHBondContact O-CB 3.5Å; I53-N57 PolarHBondContact O-N 3.22Å; I53-N57 PolarHBondContact O-ND2 3.33Å; L54-N57 PolarHBondContact O-N 3.36Å; N57-A102 HydrophobicContact CB-CB 4.36Å; N57-M106 HydrophobicContact CB-CG 4.28Å; N57-M106 HydrophobicContact CB-SD 3.86Å; N57-R118 PolarHBondContact O-NH1 3.43Å; N57-W123 WeakPolarHBondContact OD1-CB 3.5Å
58V97.1Very high95.5Very high0 Ų036.7 Ų36.70%020%0.196CC..SBendtrans-92.1-56.1-168.6-173.80000113.7F26 L54 G60 W95 E98 M99 A102 R118F26-V58 HydrophobicContact CD2-CG1 4.47Å; F26-V58 HydrophobicContact CE2-CB 3.81Å; F26-V58 HydrophobicContact CE2-CG1 3.67Å; F26-V58 HydrophobicContact CZ-CB 4Å; F26-V58 HydrophobicContact CZ-CG1 4.37Å; L54-V58 HydrophobicContact CD2-CG2 3.93Å; L54-V58 VanDerWaalsContact O-CB 3.28Å; L54-V58 WeakPolarHBondContact O-CB 3.36Å; L54-V58 WeakPolarHBondContact O-CG2 3.31Å; L54-V58 PolarHBondContact O-N 2.83Å; V58-G60 VanDerWaalsContact C-N 3.25Å; V58-G60 PolarHBondContact O-N 3.11Å; V58-G60 VanDerWaalsContact O-N 3.12Å; V58-W95 HydrophobicContact CG1-CE3 3.79Å; V58-W95 HydrophobicContact CG1-CZ3 3.79Å; V58-E98 HydrophobicContact CG1-CB 4.3Å; V58-M99 HydrophobicContact CG1-CG 3.93Å; V58-M99 HydrophobicContact CG2-CG 4.11Å; V58-A102 HydrophobicContact CG2-CB 3.87Å; V58-R118 PolarHBondContact O-NH1 2.88Å
59P91.3Very high95.5Very high36 Ų3632.2 Ų32.223%0.23417%0.172CC..SBendtrans-77.8-1.2-16532.8-37.5000114.9F26 L54 D55 K63 W95F26-P59 HydrophobicContact CD1-CB 3.99Å; F26-P59 HydrophobicContact CD1-CG 4.29Å; F26-P59 HydrophobicContact CE1-CB 3.84Å; F26-P59 HydrophobicContact CE1-CG 3.67Å; F26-P59 HydrophobicContact CG-CB 4.41Å; F26-P59 HydrophobicContact CZ-CB 4.14Å; F26-P59 HydrophobicContact CZ-CG 3.94Å; L54-P59 WeakPolarHBondContact O-CD 3.07Å; D55-P59 VanDerWaalsContact O-CD 3.3Å; D55-P59 WeakPolarHBondContact O-CD 3.42Å; D55-P59 WeakPolarHBondContact O-CG 3.15Å; P59-K63 WeakPolarHBondContact O-CE 3.47Å; P59-K63 PolarHBondContact O-NZ 3.46Å; P59-K63 VanDerWaalsContact O-NZ 3.12Å; P59-W95 HydrophobicContact CB-CH2 4.23Å
60G86Confident95.5Very high27 Ų2729.7 Ų29.728%0.27816%0.162SC..  trans-73.7-175.2173.400000113.9V58 R118V58-G60 VanDerWaalsContact C-N 3.25Å; V58-G60 PolarHBondContact O-N 3.11Å; V58-G60 VanDerWaalsContact O-N 3.12Å; G60-R118 PolarHBondContact O-NH1 3.46Å
61G86.6Confident95.3Very high52 Ų5230.3 Ų30.354%0.53617%0.173SC..SBendtrans71.4-159.817700000114
62K89.7Confident95.3Very high89 Ų8928.1 Ų28.139%0.38717%0.165SC..  trans-95.1-12.3-175.3-64.6-175.3177.3-171.30114.4N64 K358K62-N64 PolarHBondContact O-N 3.03Å; K62-N64 VanDerWaalsContact O-N 3.09Å; K62-K358 VanDerWaalsContact CE-CG 3.5Å; K62-K358 VanDerWaalsContact NZ-CB 3.34Å; K62-K358 PolarHBondContact NZ-O 3.09Å
63K94.7Very high95.2Very high31 Ų3124.9 Ų24.914%0.13515%0.15CC..  trans55.126.8-177.4-54164.2-166.4175.20113.8F22 D23 P59 R65 G66 L67 W95 E98F22-K63 HydrophobicContact CD1-CB 4.26Å; F22-K63 HydrophobicContact CD1-CD 3.94Å; F22-K63 HydrophobicContact CE1-CB 3.89Å; F22-K63 HydrophobicContact CE1-CD 4Å; F22-K63 HydrophobicContact CE1-CG 4.15Å; D23-K63 WeakPolarHBondContact OD1-CD 3.38Å; D23-K63 IonicContact OD1-NZ 3.08Å; D23-K63 PolarHBondContact OD1-NZ 3.01Å; D23-K63 IonicContact OD2-NZ 2.73Å; D23-K63 PolarHBondContact OD2-NZ 2.81Å; P59-K63 WeakPolarHBondContact O-CE 3.47Å; P59-K63 PolarHBondContact O-NZ 3.46Å; P59-K63 VanDerWaalsContact O-NZ 3.12Å; K63-R65 VanDerWaalsContact C-N 3.25Å; K63-R65 PolarHBondContact O-N 3.34Å; K63-G66 PolarHBondContact O-N 3.01Å; K63-L67 HydrophobicContact CB-CD1 4.27Å; K63-L67 HydrophobicContact CB-CG 4.32Å; K63-L67 VanDerWaalsContact O-CB 3.31Å; K63-L67 WeakPolarHBondContact O-CB 3.41Å; K63-L67 VanDerWaalsContact O-CG 3.28Å; K63-L67 WeakPolarHBondContact O-CG 3.22Å; K63-L67 PolarHBondContact O-N 3.45Å; K63-W95 HydrophobicContact CD-CH2 3.94Å; K63-W95 HydrophobicContact CD-CZ2 4.49Å; K63-W95 HydrophobicContact CG-CH2 4.5Å; K63-E98 VanDerWaalsContact CA-OE1 3.24Å; K63-E98 WeakPolarHBondContact CA-OE1 3.24Å
64N93.6Very high95Very high55 Ų5529.2 Ų29.229%0.29417%0.166SC..Hα-helixtrans-62.1-35.6-173.6-80.8-23.1000111.4K62 S68K62-N64 PolarHBondContact O-N 3.03Å; K62-N64 VanDerWaalsContact O-N 3.09Å; N64-S68 VanDerWaalsContact O-CB 3.29Å; N64-S68 WeakPolarHBondContact O-CB 3.49Å; N64-S68 PolarHBondContact O-N 3.27Å; N64-S68 VanDerWaalsContact O-N 3.1Å; N64-S68 PolarHBondContact O-OG 3.26Å
65R95.9Very high94.9Very high26 Ų2633.1 Ų33.110%0.09818%0.184CC..Hα-helixtrans-70-48.5-178.5-60.8173.2176.866.36.2109.5K63 S68 I97 E98 Y209 S210 P214K63-R65 VanDerWaalsContact C-N 3.25Å; K63-R65 PolarHBondContact O-N 3.34Å; R65-S68 WeakPolarHBondContact O-CB 3.45Å; R65-S68 PolarHBondContact O-N 3.44Å; R65-I97 HydrophobicContact CB-CG2 3.73Å; R65-E98 WeakPolarHBondContact CB-OE1 3.41Å; R65-E98 PolarHBondContact N-OE1 3.26Å; R65-Y209 PolarHBondContact NH2-OH 2.74Å; R65-S210 PolarHBondContact NE-OG 3.16Å; R65-S210 VanDerWaalsContact NE-OG 3.09Å; R65-S210 PolarHBondContact NH2-OG 2.98Å; R65-P214 HydrophobicContact CB-CG 4.1Å; R65-P214 WeakPolarHBondContact O-CB 3.28Å
66G97.3Very high94.8Very high0 Ų031.2 Ų31.20%017%0.174CC..Hα-helixtrans-63.7-47.3178.200000113.4K63 S68 V69 G94 E98K63-G66 PolarHBondContact O-N 3.01Å; G66-S68 PolarHBondContact O-N 3.2Å; G66-V69 WeakPolarHBondContact O-CB 3.3Å; G66-V69 PolarHBondContact O-N 3.01Å; G66-V69 VanDerWaalsContact O-N 3.09Å; G66-G94 VanDerWaalsContact CA-O 3.3Å; G66-G94 WeakPolarHBondContact CA-O 3.47Å; G66-E98 PolarHBondContact N-OE1 3.08Å
67L96.6Very high94.6Very high29 Ų2929.8 Ų29.815%0.15217%0.17CC..Hα-helixtrans-64.1-26.3177.4-70.9172.1000112.9P19 F22 K63 V69 I70 G71P19-L67 HydrophobicContact CB-CD2 4.46Å; P19-L67 HydrophobicContact CG-CD1 4.3Å; P19-L67 HydrophobicContact CG-CD2 4.29Å; F22-L67 HydrophobicContact CB-CD2 3.76Å; F22-L67 HydrophobicContact CD1-CD2 4.21Å; F22-L67 HydrophobicContact CD1-CG 4.47Å; F22-L67 HydrophobicContact CD2-CD2 4.4Å; F22-L67 HydrophobicContact CG-CD2 3.88Å; K63-L67 HydrophobicContact CB-CD1 4.27Å; K63-L67 HydrophobicContact CB-CG 4.32Å; K63-L67 VanDerWaalsContact O-CB 3.31Å; K63-L67 WeakPolarHBondContact O-CB 3.41Å; K63-L67 VanDerWaalsContact O-CG 3.28Å; K63-L67 WeakPolarHBondContact O-CG 3.22Å; K63-L67 PolarHBondContact O-N 3.45Å; L67-V69 VanDerWaalsContact C-N 3.28Å; L67-V69 PolarHBondContact O-N 3.35Å; L67-I70 VanDerWaalsContact O-CG2 3.24Å; L67-I70 WeakPolarHBondContact O-CG2 3.49Å; L67-G71 PolarHBondContact O-N 3.24Å
68S96.3Very high94.4Very high5 Ų531.6 Ų31.64%0.03518%0.183CC..Hα-helixtrans-69.1-25.2175.4-76.80000113.4N64 R65 G66 S72 F349N64-S68 VanDerWaalsContact O-CB 3.29Å; N64-S68 WeakPolarHBondContact O-CB 3.49Å; N64-S68 PolarHBondContact O-N 3.27Å; N64-S68 VanDerWaalsContact O-N 3.1Å; N64-S68 PolarHBondContact O-OG 3.26Å; R65-S68 WeakPolarHBondContact O-CB 3.45Å; R65-S68 PolarHBondContact O-N 3.44Å; G66-S68 PolarHBondContact O-N 3.2Å; S68-S72 VanDerWaalsContact O-CB 3.22Å; S68-S72 WeakPolarHBondContact O-CB 3.44Å; S68-S72 PolarHBondContact O-N 2.99Å; S68-S72 PolarHBondContact O-OG 3.12Å; S68-S72 VanDerWaalsContact O-OG 3.09Å; S68-F349 VanDerWaalsContact OG-CE1 3.28Å; S68-F349 WeakPolarHBondContact OG-CE1 3.4Å; S68-F349 WeakPolarHBondContact OG-CE2 3.35Å; S68-F349 WeakPolarHBondContact OG-CZ 3.47Å
69V98.1Very high94.1Very high0 Ų037.2 Ų37.20%022%0.219CC..Hα-helixtrans-63.2-54175.5-178.30000110.4G66 L67 S72 L73 A90 V93 I97 P214 A218 M221G66-V69 WeakPolarHBondContact O-CB 3.3Å; G66-V69 PolarHBondContact O-N 3.01Å; G66-V69 VanDerWaalsContact O-N 3.09Å; L67-V69 VanDerWaalsContact C-N 3.28Å; L67-V69 PolarHBondContact O-N 3.35Å; V69-S72 PolarHBondContact O-N 3.34Å; V69-L73 WeakPolarHBondContact O-CB 3.28Å; V69-L73 PolarHBondContact O-N 3.21Å; V69-A90 HydrophobicContact CG1-CB 4.35Å; V69-V93 HydrophobicContact CG1-CB 4.24Å; V69-V93 HydrophobicContact CG1-CG1 4.05Å; V69-V93 HydrophobicContact CG2-CG1 4.5Å; V69-I97 HydrophobicContact CG2-CD1 3.49Å; V69-I97 VanDerWaalsContact CG2-CD1 3.49Å; V69-P214 HydrophobicContact CG2-CB 4.08Å; V69-A218 HydrophobicContact CG1-CB 4.49Å; V69-M221 HydrophobicContact CG1-SD 4.29Å
70I96.6Very high94.1Very high0 Ų040.7 Ų40.70%025%0.245CC..Hα-helixtrans-66.2-39.1178.1-177.760.1000111.4D18 L67 L73 R74 V87 A90 L91D18-I70 HydrophobicContact CB-CG2 4.33Å; L67-I70 VanDerWaalsContact O-CG2 3.24Å; L67-I70 WeakPolarHBondContact O-CG2 3.49Å; I70-L73 PolarHBondContact O-N 3.33Å; I70-R74 HydrophobicContact CD1-CG 4.21Å; I70-R74 HydrophobicContact CG1-CG 4.49Å; I70-R74 WeakPolarHBondContact O-CG 3.48Å; I70-R74 PolarHBondContact O-N 2.77Å; I70-V87 HydrophobicContact CD1-CB 4.37Å; I70-V87 HydrophobicContact CD1-CG1 3.99Å; I70-V87 HydrophobicContact CD1-CG2 4.21Å; I70-A90 HydrophobicContact CB-CB 4.34Å; I70-A90 HydrophobicContact CD1-CB 3.94Å; I70-L91 HydrophobicContact CB-CD2 4.24Å; I70-L91 HydrophobicContact CG1-CD2 4.35Å; I70-L91 HydrophobicContact CG2-CD2 4.16Å
71G95.4Very high94.3Very high30 Ų3044.8 Ų44.831%0.30926%0.257SS..Hα-helixtrans-58.5-48.8175.500000112.2L67 R74 E75L67-G71 PolarHBondContact O-N 3.24Å; G71-R74 PolarHBondContact O-N 3.4Å; G71-E75 WeakPolarHBondContact O-CG 3.34Å; G71-E75 PolarHBondContact O-N 2.9Å
72S96.7Very high94.6Very high3 Ų343.9 Ų43.92%0.02124%0.239CC..Hα-helixtrans-64.7-43176.6-71.30000112.1S68 V69 R74 E75 L76 I345S68-S72 VanDerWaalsContact O-CB 3.22Å; S68-S72 WeakPolarHBondContact O-CB 3.44Å; S68-S72 PolarHBondContact O-N 2.99Å; S68-S72 PolarHBondContact O-OG 3.12Å; S68-S72 VanDerWaalsContact O-OG 3.09Å; V69-S72 PolarHBondContact O-N 3.34Å; S72-R74 VanDerWaalsContact C-N 3.27Å; S72-R74 PolarHBondContact O-N 3.08Å; S72-E75 PolarHBondContact O-N 3.15Å; S72-E75 VanDerWaalsContact O-N 3.11Å; S72-L76 VanDerWaalsContact O-CG 3.25Å; S72-L76 WeakPolarHBondContact O-CG 3.16Å; S72-L76 PolarHBondContact O-N 3.05Å; S72-I345 WeakPolarHBondContact OG-CG2 3.43Å
73L96.7Very high94.9Very high1 Ų142.5 Ų42.51%0.00524%0.241CC..Hα-helixtrans-60.3-39179.7-172.167.9000112V69 I70 E75 L76 L77 L82 A90 A218 M221 A222V69-L73 WeakPolarHBondContact O-CB 3.28Å; V69-L73 PolarHBondContact O-N 3.21Å; I70-L73 PolarHBondContact O-N 3.33Å; L73-E75 VanDerWaalsContact C-N 3.29Å; L73-E75 PolarHBondContact O-N 3.34Å; L73-L76 PolarHBondContact O-N 3.26Å; L73-L77 HydrophobicContact CD1-CD1 3.57Å; L73-L77 HydrophobicContact CD1-CG 4Å; L73-L77 HydrophobicContact CG-CD1 3.98Å; L73-L77 HydrophobicContact CG-CG 4.49Å; L73-L77 PolarHBondContact O-N 3.37Å; L73-L82 HydrophobicContact CD2-CD2 4.44Å; L73-L82 HydrophobicContact CG-CD2 4.17Å; L73-A90 HydrophobicContact CD2-CB 3.57Å; L73-A218 HydrophobicContact CB-CB 4.32Å; L73-M221 HydrophobicContact CD1-CB 4Å; L73-M221 HydrophobicContact CD2-CE 4.37Å; L73-A222 HydrophobicContact CD1-CB 4.16Å
74R95.1Very high94.8Very high92 Ų9248.6 Ų48.635%0.34727%0.269SS..Hα-helixtrans-66.4-29.2177.3-73.2-176.3-179.5-66.72.5113.9D18 I70 G71 S72 L82D18-R74 IonicContact OD1-CZ 3.16Å; D18-R74 IonicContact OD1-NE 2.85Å; D18-R74 PolarHBondContact OD1-NE 2.71Å; D18-R74 VanDerWaalsContact OD1-NE 3.14Å; D18-R74 IonicContact OD1-NH2 3.56Å; D18-R74 PolarHBondContact OD1-NH2 3.38Å; D18-R74 WeakPolarHBondContact OD2-CD 3.34Å; D18-R74 IonicContact OD2-CZ 3.71Å; D18-R74 IonicContact OD2-NE 2.95Å; D18-R74 PolarHBondContact OD2-NE 2.95Å; I70-R74 HydrophobicContact CD1-CG 4.21Å; I70-R74 HydrophobicContact CG1-CG 4.49Å; I70-R74 WeakPolarHBondContact O-CG 3.48Å; I70-R74 PolarHBondContact O-N 2.77Å; G71-R74 PolarHBondContact O-N 3.4Å; S72-R74 VanDerWaalsContact C-N 3.27Å; S72-R74 PolarHBondContact O-N 3.08Å; R74-L82 HydrophobicContact CB-CD1 4.37Å; R74-L82 HydrophobicContact CG-CD1 4.14Å; R74-L82 HydrophobicContact CG-CD2 4.37Å
75E95.3Very high94.9Very high81 Ų8150.1 Ų50.138%0.37928%0.278SS..Hα-helixtrans-80.2-31.7175.2-63.3-68.3161.200111.4G71 S72 L73 P342 S344 I345G71-E75 WeakPolarHBondContact O-CG 3.34Å; G71-E75 PolarHBondContact O-N 2.9Å; S72-E75 PolarHBondContact O-N 3.15Å; S72-E75 VanDerWaalsContact O-N 3.11Å; L73-E75 VanDerWaalsContact C-N 3.29Å; L73-E75 PolarHBondContact O-N 3.34Å; E75-P342 HydrophobicContact CB-CB 4.36Å; E75-P342 VanDerWaalsContact O-CG 3.31Å; E75-P342 WeakPolarHBondContact O-CG 3.49Å; E75-S344 VanDerWaalsContact CD-OG 3.3Å; E75-S344 VanDerWaalsContact OE2-CB 3.23Å; E75-S344 WeakPolarHBondContact OE2-CB 3.48Å; E75-S344 PolarHBondContact OE2-OG 3.23Å; E75-I345 HydrophobicContact CB-CD1 4.14Å; E75-I345 HydrophobicContact CB-CG1 3.54Å; E75-I345 HydrophobicContact CG-CG1 4.06Å
76L95.6Very high94.9Very high27 Ų2749.7 Ų49.714%0.14128%0.28CS..Hα-helixtrans-79.7-34-178.1-69.2169.4000113.5S72 L73 A218 M219 A222 I224 L341 P342 I345S72-L76 VanDerWaalsContact O-CG 3.25Å; S72-L76 WeakPolarHBondContact O-CG 3.16Å; S72-L76 PolarHBondContact O-N 3.05Å; L73-L76 PolarHBondContact O-N 3.26Å; L76-A218 HydrophobicContact CD1-CB 4.11Å; L76-M219 HydrophobicContact CD1-CG 3.96Å; L76-A222 HydrophobicContact CB-CB 3.86Å; L76-A222 HydrophobicContact CD1-CB 4.13Å; L76-I224 HydrophobicContact CD2-CD1 3.73Å; L76-L341 HydrophobicContact CD2-CD2 4Å; L76-P342 HydrophobicContact CD2-CG 4.29Å; L76-I345 HydrophobicContact CD1-CD1 4.38Å; L76-I345 HydrophobicContact CD2-CD1 3.47Å; L76-I345 VanDerWaalsContact CD2-CD1 3.47Å; L76-I345 HydrophobicContact CG-CD1 3.66Å
77L94.6Very high94.9Very high22 Ų2250.3 Ų50.312%0.11528%0.284CS..SBendtrans-107140.5-175.3-65.8-177.1000112.5L73 Q81 L82 A222L73-L77 HydrophobicContact CD1-CD1 3.57Å; L73-L77 HydrophobicContact CD1-CG 4Å; L73-L77 HydrophobicContact CG-CD1 3.98Å; L73-L77 HydrophobicContact CG-CG 4.49Å; L73-L77 PolarHBondContact O-N 3.37Å; L77-Q81 HydrophobicContact CB-CB 4.38Å; L77-L82 HydrophobicContact CB-CD2 3.95Å; L77-L82 HydrophobicContact CB-CG 4.04Å; L77-L82 HydrophobicContact CD1-CD2 4.22Å; L77-A222 HydrophobicContact CD2-CB 3.73Å; L77-A222 HydrophobicContact CG-CB 3.99Å
78P93.2Very high94.9Very high57 Ų5751.4 Ų51.437%0.3729%0.288SS..  trans-66.2155.4170.229.5-34.7000111S80 Q81 L82P78-S80 PolarHBondContact O-N 3.42Å; P78-Q81 HydrophobicContact CG-CB 4.15Å; P78-Q81 HydrophobicContact CG-CG 3.92Å; P78-Q81 PolarHBondContact O-N 2.68Å; P78-L82 PolarHBondContact O-N 3.44Å
79P90.9Very high95Very high118 Ų11851.9 Ų51.977%0.76629%0.29SS*.THydrogen-bonded Turntrans-53.2-28.9179.7-28.935.6000115.3Q81 L82P79-Q81 VanDerWaalsContact C-N 3.28Å; P79-Q81 PolarHBondContact O-N 2.98Å; P79-L82 PolarHBondContact O-N 3.09Å
80S90.9Very high95Very high110 Ų11051.9 Ų51.977%0.76929%0.29SS*.THydrogen-bonded Turntrans-69.1-22177.553.30000114.1P78P78-S80 PolarHBondContact O-N 3.42Å
81Q91.1Very high95.1Very high113 Ų11351.9 Ų51.953%0.52829%0.29SS..THydrogen-bonded Turntrans-102-9.8179.9-66.7179-0.800112.7L77 P78 P79 S83L77-Q81 HydrophobicContact CB-CB 4.38Å; P78-Q81 HydrophobicContact CG-CB 4.15Å; P78-Q81 HydrophobicContact CG-CG 3.92Å; P78-Q81 PolarHBondContact O-N 2.68Å; P79-Q81 VanDerWaalsContact C-N 3.28Å; P79-Q81 PolarHBondContact O-N 2.98Å; Q81-S83 PolarHBondContact O-N 3.25Å
82L93.1Very high95.2Very high33 Ų3350.5 Ų50.517%0.17328%0.275CS..  trans-80.363.3174-69.6170.5000111.6L73 R74 L77 P78 P79L73-L82 HydrophobicContact CD2-CD2 4.44Å; L73-L82 HydrophobicContact CG-CD2 4.17Å; R74-L82 HydrophobicContact CB-CD1 4.37Å; R74-L82 HydrophobicContact CG-CD1 4.14Å; R74-L82 HydrophobicContact CG-CD2 4.37Å; L77-L82 HydrophobicContact CB-CD2 3.95Å; L77-L82 HydrophobicContact CB-CG 4.04Å; L77-L82 HydrophobicContact CD1-CD2 4.22Å; P78-L82 PolarHBondContact O-N 3.44Å; P79-L82 PolarHBondContact O-N 3.09Å
83S94.6Very high95.3Very high59 Ų5950.4 Ų50.441%0.41327%0.274SS..  trans-62.6157.7175.176.40000111.5Q81 D85 A86 V87Q81-S83 PolarHBondContact O-N 3.25Å; S83-D85 PolarHBondContact O-N 2.93Å; S83-A86 PolarHBondContact O-N 2.78Å; S83-A86 VanDerWaalsContact O-N 3.14Å; S83-A86 WeakPolarHBondContact OG-CB 3.35Å; S83-A86 PolarHBondContact OG-N 3.02Å; S83-V87 WeakPolarHBondContact O-CG2 3.38Å; S83-V87 PolarHBondContact O-N 3.48Å
84Q93.9Very high95.4Very high159 Ų15950.3 Ų50.374%0.74327%0.274SS*.Hα-helixtrans-55.9-38.1174.8-175.7176.8-000111.4V87 Q88Q84-V87 PolarHBondContact O-N 3.23Å; Q84-Q88 HydrophobicContact CG-CG 4.48Å; Q84-Q88 WeakPolarHBondContact O-CB 3.49Å; Q84-Q88 VanDerWaalsContact O-CG 3.23Å; Q84-Q88 WeakPolarHBondContact O-CG 3.21Å; Q84-Q88 PolarHBondContact O-N 3.43Å
85D94.9Very high95.6Very high87 Ų8746 Ų4647%0.46526%0.257SS..Hα-helixtrans-65.2-44.1177.2178.763.5000112.5S83 V87 Q88 K89S83-D85 PolarHBondContact O-N 2.93Å; D85-V87 VanDerWaalsContact C-N 3.33Å; D85-V87 PolarHBondContact O-N 3.25Å; D85-Q88 PolarHBondContact O-N 2.61Å; D85-K89 WeakPolarHBondContact O-CG 3.41Å; D85-K89 PolarHBondContact O-N 3.02Å; D85-K89 IonicContact OD1-NZ 2.92Å; D85-K89 PolarHBondContact OD1-NZ 3.31Å; D85-K89 IonicContact OD2-NZ 3.33Å; D85-K89 PolarHBondContact OD2-NZ 3.11Å
86A95.9Very high95.8Very high18 Ų1842.1 Ų42.115%0.14924%0.239CC..Hα-helixtrans-60.8-43175.600000111.6S83 K89 A90S83-A86 PolarHBondContact O-N 2.78Å; S83-A86 VanDerWaalsContact O-N 3.14Å; S83-A86 WeakPolarHBondContact OG-CB 3.35Å; S83-A86 PolarHBondContact OG-N 3.02Å; A86-K89 PolarHBondContact O-N 3.28Å; A86-A90 WeakPolarHBondContact O-CB 3.31Å; A86-A90 PolarHBondContact O-N 2.98Å
87V96.4Very high95.9Very high13 Ų1340.9 Ų40.98%0.07923%0.233CC..Hα-helixtrans-62-47.4175.11730000110.9I70 S83 Q84 D85 K89 A90 L91I70-V87 HydrophobicContact CD1-CB 4.37Å; I70-V87 HydrophobicContact CD1-CG1 3.99Å; I70-V87 HydrophobicContact CD1-CG2 4.21Å; S83-V87 WeakPolarHBondContact O-CG2 3.38Å; S83-V87 PolarHBondContact O-N 3.48Å; Q84-V87 PolarHBondContact O-N 3.23Å; D85-V87 VanDerWaalsContact C-N 3.33Å; D85-V87 PolarHBondContact O-N 3.25Å; V87-K89 VanDerWaalsContact C-N 3.31Å; V87-K89 PolarHBondContact O-N 3.47Å; V87-A90 WeakPolarHBondContact O-CB 3.33Å; V87-A90 PolarHBondContact O-N 3.3Å; V87-A90 VanDerWaalsContact O-N 3.12Å; V87-L91 HydrophobicContact CG1-CD1 4.19Å; V87-L91 HydrophobicContact CG1-CG 4.41Å; V87-L91 WeakPolarHBondContact O-CG 3.23Å; V87-L91 PolarHBondContact O-N 3.41Å
88Q97.2Very high96.1Very high51 Ų5139.9 Ų39.924%0.23823%0.227CC..Hα-helixtrans-60.6-39.8179.5-72.8-62.6-5100112.5Q84 D85 L92Q84-Q88 HydrophobicContact CG-CG 4.48Å; Q84-Q88 WeakPolarHBondContact O-CB 3.49Å; Q84-Q88 VanDerWaalsContact O-CG 3.23Å; Q84-Q88 WeakPolarHBondContact O-CG 3.21Å; Q84-Q88 PolarHBondContact O-N 3.43Å; D85-Q88 PolarHBondContact O-N 2.61Å; Q88-L92 PolarHBondContact O-N 3.1Å; Q88-L92 VanDerWaalsContact O-N 3.09Å
89K98Very high96.4Very high16 Ų1637.1 Ų37.17%0.0721%0.21CC..Hα-helixtrans-66.1-39173.9-71.2-175173.981.30112.2D85 A86 V87 L92 V93 Q151 Q155 Y157 M221D85-K89 WeakPolarHBondContact O-CG 3.41Å; D85-K89 PolarHBondContact O-N 3.02Å; D85-K89 IonicContact OD1-NZ 2.92Å; D85-K89 PolarHBondContact OD1-NZ 3.31Å; D85-K89 IonicContact OD2-NZ 3.33Å; D85-K89 PolarHBondContact OD2-NZ 3.11Å; A86-K89 PolarHBondContact O-N 3.28Å; V87-K89 VanDerWaalsContact C-N 3.31Å; V87-K89 PolarHBondContact O-N 3.47Å; K89-L92 WeakPolarHBondContact O-CB 3.32Å; K89-L92 PolarHBondContact O-N 3.19Å; K89-V93 WeakPolarHBondContact O-CG2 3.46Å; K89-V93 PolarHBondContact O-N 2.88Å; K89-Q151 WeakPolarHBondContact CE-O 3.29Å; K89-Q155 HydrophobicContact CD-CG 3.98Å; K89-Y157 VanDerWaalsContact CD-OH 3.3Å; K89-Y157 WeakPolarHBondContact CD-OH 3.46Å; K89-M221 HydrophobicContact CB-CE 3.92Å
90A98.4Very high96.7Very high0 Ų031.5 Ų31.50%017%0.173CC..Hα-helixtrans-65.5-40.3178.200000112.1V69 I70 L73 A86 V87 L92 V93 G94 M221V69-A90 HydrophobicContact CG1-CB 4.35Å; I70-A90 HydrophobicContact CB-CB 4.34Å; I70-A90 HydrophobicContact CD1-CB 3.94Å; L73-A90 HydrophobicContact CD2-CB 3.57Å; A86-A90 WeakPolarHBondContact O-CB 3.31Å; A86-A90 PolarHBondContact O-N 2.98Å; V87-A90 WeakPolarHBondContact O-CB 3.33Å; V87-A90 PolarHBondContact O-N 3.3Å; V87-A90 VanDerWaalsContact O-N 3.12Å; A90-L92 VanDerWaalsContact C-N 3.34Å; A90-V93 PolarHBondContact O-N 3.49Å; A90-G94 PolarHBondContact O-N 3.16Å; A90-M221 HydrophobicContact CB-CE 3.9Å
91L98.4Very high97.1Very high0 Ų027.2 Ų27.20%014%0.141CC..Hα-helixtrans-62.5-42.3173.4-61171.7000111L21 F22 K25 I70 V87 G94 W95L21-L91 HydrophobicContact CB-CD1 3.88Å; L21-L91 HydrophobicContact CB-CD2 4.43Å; F22-L91 HydrophobicContact CB-CD2 4.06Å; F22-L91 HydrophobicContact CD2-CB 4.31Å; F22-L91 HydrophobicContact CD2-CD2 3.79Å; F22-L91 WeakPolarHBondContact CE2-O 3.39Å; F22-L91 HydrophobicContact CG-CD2 4.44Å; K25-L91 HydrophobicContact CB-CB 4.33Å; K25-L91 HydrophobicContact CG-CB 4.11Å; I70-L91 HydrophobicContact CB-CD2 4.24Å; I70-L91 HydrophobicContact CG1-CD2 4.35Å; I70-L91 HydrophobicContact CG2-CD2 4.16Å; V87-L91 HydrophobicContact CG1-CD1 4.19Å; V87-L91 HydrophobicContact CG1-CG 4.41Å; V87-L91 WeakPolarHBondContact O-CG 3.23Å; V87-L91 PolarHBondContact O-N 3.41Å; L91-G94 PolarHBondContact O-N 3.12Å; L91-W95 VanDerWaalsContact O-CD1 3.29Å; L91-W95 PolarHBondContact O-N 3.28Å
92L98.6Very high97.5Very high1 Ų121.9 Ų21.91%0.00512%0.116CC..Hα-helixtrans-61.9-47.9175174.9153.3000112.4L29 Q88 K89 A90 G94 W95 C96 L147 L148 Q151L29-L92 HydrophobicContact CD2-CB 4.41Å; L29-L92 HydrophobicContact CD2-CD1 3.74Å; L29-L92 HydrophobicContact CD2-CG 4.07Å; Q88-L92 PolarHBondContact O-N 3.1Å; Q88-L92 VanDerWaalsContact O-N 3.09Å; K89-L92 WeakPolarHBondContact O-CB 3.32Å; K89-L92 PolarHBondContact O-N 3.19Å; A90-L92 VanDerWaalsContact C-N 3.34Å; L92-G94 VanDerWaalsContact C-N 3.25Å; L92-G94 PolarHBondContact O-N 3.26Å; L92-W95 PolarHBondContact O-N 2.95Å; L92-W95 VanDerWaalsContact O-N 3.1Å; L92-C96 PolarHBondContact O-N 3.06Å; L92-C96 PolarHBondContact O-SG 2.71Å; L92-L147 HydrophobicContact CD1-CB 4.36Å; L92-L147 HydrophobicContact CD2-CB 4.42Å; L92-L147 HydrophobicContact CG-CB 4.47Å; L92-L148 HydrophobicContact CD2-CD2 4.06Å; L92-Q151 HydrophobicContact CD1-CB 3.43Å; L92-Q151 VanDerWaalsContact CD1-CB 3.43Å; L92-Q151 HydrophobicContact CD1-CG 3.32Å
93V98.8Very high97.7Very high0 Ų020.8 Ų20.80%011%0.11CC..Hα-helixtrans-62.6-38.9178.6171.60000109.9V69 K89 A90 W95 C96 I97 L148 L161 F165 M221V69-V93 HydrophobicContact CG1-CB 4.24Å; V69-V93 HydrophobicContact CG1-CG1 4.05Å; V69-V93 HydrophobicContact CG2-CG1 4.5Å; K89-V93 WeakPolarHBondContact O-CG2 3.46Å; K89-V93 PolarHBondContact O-N 2.88Å; A90-V93 PolarHBondContact O-N 3.49Å; V93-W95 PolarHBondContact O-N 2.92Å; V93-C96 WeakPolarHBondContact O-CB 3.47Å; V93-C96 PolarHBondContact O-N 3.03Å; V93-I97 WeakPolarHBondContact O-CG1 3.47Å; V93-I97 PolarHBondContact O-N 2.9Å; V93-I97 VanDerWaalsContact O-N 3.08Å; V93-L148 HydrophobicContact CG2-CD2 4.02Å; V93-L161 HydrophobicContact CG2-CD1 3.9Å; V93-F165 HydrophobicContact CG1-CE2 4.32Å; V93-F165 HydrophobicContact CG1-CZ 4.36Å; V93-M221 HydrophobicContact CB-SD 4.12Å; V93-M221 HydrophobicContact CG1-SD 4.28Å; V93-M221 HydrophobicContact CG2-CE 4.45Å; V93-M221 HydrophobicContact CG2-SD 3.88Å
94G98.7Very high97.9Very high0 Ų019.1 Ų19.10%010%0.095CC..Hα-helixtrans-59.4-42.9171.700000113.1G66 A90 L91 L92 I97 E98G66-G94 VanDerWaalsContact CA-O 3.3Å; G66-G94 WeakPolarHBondContact CA-O 3.47Å; A90-G94 PolarHBondContact O-N 3.16Å; L91-G94 PolarHBondContact O-N 3.12Å; L92-G94 VanDerWaalsContact C-N 3.25Å; L92-G94 PolarHBondContact O-N 3.26Å; G94-I97 PolarHBondContact O-N 2.88Å; G94-E98 PolarHBondContact O-N 2.79Å
95W98.8Very high98.1Very high1 Ų112.7 Ų12.70%0.0047%0.066CC..Hα-helixtrans-66.5-34.4173.8-82.8117.5000113.3F22 F26 L29 V58 P59 K63 L91 L92 V93 I97 E98 M99F22-W95 HydrophobicContact CD1-CD2 4.33Å; F22-W95 AromaticContact CD1-CE2 3.56Å; F22-W95 HydrophobicContact CD1-CH2 4.01Å; F22-W95 AromaticContact CD1-CZ2 3.37Å; F22-W95 HydrophobicContact CD1-CZ2 3.37Å; F22-W95 AromaticContact CD1-NE1 3.85Å; F22-W95 AromaticContact CD2-NE1 3.85Å; F22-W95 AromaticContact CE1-CD2 3.61Å; F22-W95 HydrophobicContact CE1-CD2 3.61Å; F22-W95 AromaticContact CE1-CE2 3.31Å; F22-W95 AromaticContact CE1-CE3 3.89Å; F22-W95 HydrophobicContact CE1-CE3 3.89Å; F22-W95 HydrophobicContact CE1-CG 4.28Å; F22-W95 AromaticContact CE1-CH2 3.64Å; F22-W95 HydrophobicContact CE1-CH2 3.64Å; F22-W95 AromaticContact CE1-CZ2 3.32Å; F22-W95 HydrophobicContact CE1-CZ2 3.32Å; F22-W95 AromaticContact CE1-CZ3 3.89Å; F22-W95 HydrophobicContact CE1-CZ3 3.89Å; F22-W95 AromaticContact CE1-NE1 3.84Å; F22-W95 AromaticContact CE2-CD1 3.76Å; F22-W95 HydrophobicContact CE2-CD2 4.19Å; F22-W95 AromaticContact CE2-CG 3.99Å; F22-W95 HydrophobicContact CE2-CG 3.99Å; F22-W95 AromaticContact CE2-NE1 3.84Å; F22-W95 HydrophobicContact CG-CZ2 4.18Å; F22-W95 AromaticContact CG-NE1 3.85Å; F22-W95 HydrophobicContact CZ-CB 4.43Å; F22-W95 AromaticContact CZ-CD1 3.9Å; F22-W95 AromaticContact CZ-CD2 3.53Å; F22-W95 HydrophobicContact CZ-CD2 3.53Å; F22-W95 AromaticContact CZ-CE2 3.6Å; F22-W95 AromaticContact CZ-CE3 3.98Å; F22-W95 HydrophobicContact CZ-CE3 3.98Å; F22-W95 AromaticContact CZ-CG 3.74Å; F22-W95 HydrophobicContact CZ-CG 3.74Å; F22-W95 HydrophobicContact CZ-CZ2 4.1Å; F22-W95 HydrophobicContact CZ-CZ3 4.44Å; F22-W95 AromaticContact CZ-NE1 3.83Å; F22-W95 WeakPolarHBondContact O-CZ2 3.49Å; F22-W95 PolarHBondContact O-NE1 3.45Å; F26-W95 HydrophobicContact CB-CD2 4.45Å; F26-W95 HydrophobicContact CB-CH2 4.06Å; F26-W95 HydrophobicContact CB-CZ2 3.55Å; F26-W95 AromaticContact CD2-CD2 3.8Å; F26-W95 HydrophobicContact CD2-CD2 3.8Å; F26-W95 AromaticContact CD2-CE2 3.93Å; F26-W95 AromaticContact CD2-CE3 3.62Å; F26-W95 HydrophobicContact CD2-CE3 3.62Å; F26-W95 AromaticContact CD2-CH2 3.79Å; F26-W95 HydrophobicContact CD2-CH2 3.79Å; F26-W95 AromaticContact CD2-CZ2 3.96Å; F26-W95 HydrophobicContact CD2-CZ2 3.96Å; F26-W95 AromaticContact CD2-CZ3 3.64Å; F26-W95 HydrophobicContact CD2-CZ3 3.64Å; F26-W95 HydrophobicContact CE2-CE3 4.15Å; F26-W95 HydrophobicContact CE2-CZ3 4.11Å; F26-W95 HydrophobicContact CG-CH2 4.02Å; F26-W95 HydrophobicContact CG-CZ2 4.01Å; F26-W95 HydrophobicContact CG-CZ3 4.33Å; L29-W95 HydrophobicContact CD1-CB 3.46Å; L29-W95 VanDerWaalsContact CD1-CB 3.46Å; L29-W95 HydrophobicContact CD1-CG 3.65Å; V58-W95 HydrophobicContact CG1-CE3 3.79Å; V58-W95 HydrophobicContact CG1-CZ3 3.79Å; P59-W95 HydrophobicContact CB-CH2 4.23Å; K63-W95 HydrophobicContact CD-CH2 3.94Å; K63-W95 HydrophobicContact CD-CZ2 4.49Å; K63-W95 HydrophobicContact CG-CH2 4.5Å; L91-W95 VanDerWaalsContact O-CD1 3.29Å; L91-W95 PolarHBondContact O-N 3.28Å; L92-W95 PolarHBondContact O-N 2.95Å; L92-W95 VanDerWaalsContact O-N 3.1Å; V93-W95 PolarHBondContact O-N 2.92Å; W95-I97 PolarHBondContact O-N 3.21Å; W95-E98 HydrophobicContact CE3-CB 3.92Å; W95-E98 HydrophobicContact CE3-CG 4.34Å; W95-E98 HydrophobicContact CZ3-CB 4.24Å; W95-E98 PolarHBondContact O-N 2.96Å; W95-M99 WeakPolarHBondContact O-CB 3.3Å; W95-M99 VanDerWaalsContact O-CG 3.31Å; W95-M99 WeakPolarHBondContact O-CG 3.43Å; W95-M99 PolarHBondContact O-N 3.08Å
96C98.8Very high98.2Very high0 Ų08.7 Ų8.70%05%0.045CC..Hα-helixtrans-59.9-37.8172.3-68.60000111.4L92 V93 M99 L100 I144 L148 F165L92-C96 PolarHBondContact O-N 3.06Å; L92-C96 PolarHBondContact O-SG 2.71Å; V93-C96 WeakPolarHBondContact O-CB 3.47Å; V93-C96 PolarHBondContact O-N 3.03Å; C96-M99 PolarHBondContact O-N 3.43Å; C96-L100 PolarHBondContact O-N 2.99Å; C96-I144 HydrophobicContact CB-CG2 3.78Å; C96-L148 HydrophobicContact CB-CD2 4.47Å; C96-F165 HydrophobicContact CB-CE1 3.79Å; C96-F165 HydrophobicContact CB-CZ 3.75Å
97I98.8Very high98.3Very high0 Ų09 Ų90%05%0.048CC..Hα-helixtrans-71.3-38.8175.4-60.6174.5000111.6R65 V69 V93 G94 W95 M99 L100 Q101 F165 L213 P214R65-I97 HydrophobicContact CB-CG2 3.73Å; V69-I97 HydrophobicContact CG2-CD1 3.49Å; V69-I97 VanDerWaalsContact CG2-CD1 3.49Å; V93-I97 WeakPolarHBondContact O-CG1 3.47Å; V93-I97 PolarHBondContact O-N 2.9Å; V93-I97 VanDerWaalsContact O-N 3.08Å; G94-I97 PolarHBondContact O-N 2.88Å; W95-I97 PolarHBondContact O-N 3.21Å; I97-M99 VanDerWaalsContact C-N 3.32Å; I97-L100 WeakPolarHBondContact O-CB 3.44Å; I97-L100 PolarHBondContact O-N 2.91Å; I97-Q101 PolarHBondContact O-N 2.74Å; I97-F165 HydrophobicContact CD1-CZ 4.45Å; I97-F165 HydrophobicContact CG1-CE1 3.95Å; I97-F165 HydrophobicContact CG1-CE2 4.48Å; I97-F165 HydrophobicContact CG1-CZ 3.57Å; I97-L213 HydrophobicContact CD1-CD2 4.36Å; I97-L213 HydrophobicContact CD1-CG 3.92Å; I97-L213 HydrophobicContact CG1-CD2 3.97Å; I97-L213 HydrophobicContact CG1-CG 4.04Å; I97-L213 HydrophobicContact CG2-CD2 4.12Å; I97-P214 HydrophobicContact CD1-CB 4.07Å; I97-P214 HydrophobicContact CD1-CG 4.01Å; I97-P214 HydrophobicContact CG2-CG 4.33Å
98E98.8Very high98.3Very high1 Ų19.4 Ų9.41%0.0055%0.049CC..Hα-helixtrans-66.8-33.6174.6-66.2-65.9149.500111.9F22 V58 K63 R65 G66 G94 W95 Q101 A102F22-E98 HydrophobicContact CE1-CG 4.25Å; F22-E98 HydrophobicContact CZ-CG 4.04Å; V58-E98 HydrophobicContact CG1-CB 4.3Å; K63-E98 VanDerWaalsContact CA-OE1 3.24Å; K63-E98 WeakPolarHBondContact CA-OE1 3.24Å; R65-E98 WeakPolarHBondContact CB-OE1 3.41Å; R65-E98 PolarHBondContact N-OE1 3.26Å; G66-E98 PolarHBondContact N-OE1 3.08Å; G94-E98 PolarHBondContact O-N 2.79Å; W95-E98 HydrophobicContact CE3-CB 3.92Å; W95-E98 HydrophobicContact CE3-CG 4.34Å; W95-E98 HydrophobicContact CZ3-CB 4.24Å; W95-E98 PolarHBondContact O-N 2.96Å; E98-Q101 PolarHBondContact O-N 3.12Å; E98-A102 WeakPolarHBondContact O-CB 3.39Å; E98-A102 PolarHBondContact O-N 3.39Å
99M98.8Very high98.3Very high0 Ų07.2 Ų7.20%04%0.039CC..Hα-helixtrans-65.7-43169.5-72.5178.9-174.600111.3L33 L54 V58 W95 C96 I97 Q101 A102 F103 V140 I144 L147L33-M99 HydrophobicContact CD1-CE 4.14Å; L54-M99 HydrophobicContact CD2-CE 4.1Å; L54-M99 HydrophobicContact CD2-SD 4.38Å; V58-M99 HydrophobicContact CG1-CG 3.93Å; V58-M99 HydrophobicContact CG2-CG 4.11Å; W95-M99 WeakPolarHBondContact O-CB 3.3Å; W95-M99 VanDerWaalsContact O-CG 3.31Å; W95-M99 WeakPolarHBondContact O-CG 3.43Å; W95-M99 PolarHBondContact O-N 3.08Å; C96-M99 PolarHBondContact O-N 3.43Å; I97-M99 VanDerWaalsContact C-N 3.32Å; M99-Q101 VanDerWaalsContact C-N 3.3Å; M99-Q101 PolarHBondContact O-N 2.83Å; M99-A102 WeakPolarHBondContact O-CB 3.48Å; M99-A102 PolarHBondContact O-N 3.18Å; M99-A102 VanDerWaalsContact O-N 3.07Å; M99-F103 PolarHBondContact O-N 3.17Å; M99-V140 HydrophobicContact CB-CG1 3.91Å; M99-V140 HydrophobicContact CG-CG1 4.42Å; M99-V140 WeakPolarHBondContact O-CG1 3.48Å; M99-I144 HydrophobicContact CB-CD1 4.2Å; M99-I144 HydrophobicContact CB-CG1 3.75Å; M99-L147 HydrophobicContact CE-CD1 3.77Å; M99-L147 HydrophobicContact SD-CD1 3.85Å
100L98.8Very high98.2Very high0 Ų08 Ų80%04%0.044CC..Hα-helixtrans-60.2-42.8175.6-17265.2000111.2C96 I97 F103 F104 I144 F165 T169 L213C96-L100 PolarHBondContact O-N 2.99Å; I97-L100 WeakPolarHBondContact O-CB 3.44Å; I97-L100 PolarHBondContact O-N 2.91Å; L100-F103 HydrophobicContact CD1-CD1 4.09Å; L100-F103 WeakPolarHBondContact O-CB 3.48Å; L100-F103 PolarHBondContact O-N 3.18Å; L100-F104 HydrophobicContact CD1-CE2 3.91Å; L100-F104 HydrophobicContact CD1-CZ 4.21Å; L100-F104 HydrophobicContact CD2-CE2 4.13Å; L100-F104 HydrophobicContact CG-CD2 4.19Å; L100-F104 HydrophobicContact CG-CE2 3.64Å; L100-F104 HydrophobicContact CG-CZ 4.42Å; L100-F104 WeakPolarHBondContact O-CD2 3.48Å; L100-F104 PolarHBondContact O-N 2.91Å; L100-F104 VanDerWaalsContact O-N 3.13Å; L100-I144 HydrophobicContact CB-CD1 3.73Å; L100-I144 HydrophobicContact CD1-CD1 3.92Å; L100-I144 HydrophobicContact CG-CD1 4.43Å; L100-F165 HydrophobicContact CD2-CD1 4.25Å; L100-T169 HydrophobicContact CD1-CG2 4.49Å; L100-T169 WeakPolarHBondContact CD1-OG1 3.28Å; L100-L213 HydrophobicContact CD2-CD2 3.58Å
101Q98.4Very high98Very high20 Ų2012.3 Ų12.39%0.0937%0.065CC..Hα-helixtrans-61.3-44.6172.5-178.6177.811.600111.5I97 E98 M99 F103 F104 L105 Y209I97-Q101 PolarHBondContact O-N 2.74Å; E98-Q101 PolarHBondContact O-N 3.12Å; M99-Q101 VanDerWaalsContact C-N 3.3Å; M99-Q101 PolarHBondContact O-N 2.83Å; Q101-F103 VanDerWaalsContact C-N 3.33Å; Q101-F103 PolarHBondContact O-N 3.46Å; Q101-F104 PolarHBondContact O-N 3.33Å; Q101-L105 HydrophobicContact CG-CD1 3.86Å; Q101-L105 HydrophobicContact CG-CG 4.1Å; Q101-L105 VanDerWaalsContact O-CG 3.29Å; Q101-L105 WeakPolarHBondContact O-CG 3.45Å; Q101-L105 PolarHBondContact O-N 3.07Å; Q101-Y209 HydrophobicContact CB-CE2 4.01Å; Q101-Y209 HydrophobicContact CG-CE2 3.97Å
102A98.5Very high97.6Very high1 Ų113.4 Ų13.41%0.0087%0.071CC..Hα-helixtrans-61.5-42179.700000111.8N57 V58 E98 M99 L105 M106 V140N57-A102 HydrophobicContact CB-CB 4.36Å; V58-A102 HydrophobicContact CG2-CB 3.87Å; E98-A102 WeakPolarHBondContact O-CB 3.39Å; E98-A102 PolarHBondContact O-N 3.39Å; M99-A102 WeakPolarHBondContact O-CB 3.48Å; M99-A102 PolarHBondContact O-N 3.18Å; M99-A102 VanDerWaalsContact O-N 3.07Å; A102-L105 PolarHBondContact O-N 3.4Å; A102-M106 WeakPolarHBondContact O-CB 3.49Å; A102-M106 WeakPolarHBondContact O-CG 3.47Å; A102-M106 PolarHBondContact O-N 3.48Å; A102-V140 HydrophobicContact CB-CG1 4.27Å
103F98.6Very high97.3Very high9 Ų916 Ų164%0.0399%0.092CC..Hα-helixtrans-52.6-55171.1155.8-116.9000111.4M99 L100 Q101 L105 M106 A107 S137 F138 V140 E141 T169M99-F103 PolarHBondContact O-N 3.17Å; L100-F103 HydrophobicContact CD1-CD1 4.09Å; L100-F103 WeakPolarHBondContact O-CB 3.48Å; L100-F103 PolarHBondContact O-N 3.18Å; Q101-F103 VanDerWaalsContact C-N 3.33Å; Q101-F103 PolarHBondContact O-N 3.46Å; F103-L105 PolarHBondContact O-N 3.32Å; F103-M106 PolarHBondContact O-N 3.04Å; F103-A107 PolarHBondContact O-N 3.33Å; F103-S137 VanDerWaalsContact CD2-O 3.32Å; F103-S137 WeakPolarHBondContact CD2-O 3.32Å; F103-F138 HydrophobicContact CE2-CD1 4.14Å; F103-F138 HydrophobicContact CE2-CE1 4.47Å; F103-V140 HydrophobicContact CB-CB 4.46Å; F103-V140 HydrophobicContact CB-CG1 4.3Å; F103-E141 HydrophobicContact CB-CB 4.34Å; F103-E141 HydrophobicContact CD1-CB 4.26Å; F103-E141 HydrophobicContact CD1-CG 4.16Å; F103-E141 HydrophobicContact CD2-CB 4.11Å; F103-E141 HydrophobicContact CE1-CG 4.31Å; F103-E141 HydrophobicContact CG-CB 3.97Å; F103-E141 HydrophobicContact CG-CG 4.38Å; F103-T169 HydrophobicContact CE1-CG2 4.28Å
104F98.4Very high96.9Very high24 Ų2416.8 Ų16.811%0.10510%0.098CC..Hα-helixtrans-59.5-45.6179.3-72.3-51000112.5L100 Q101 M106 A107 D108 T169 T172 E173 Y209L100-F104 HydrophobicContact CD1-CE2 3.91Å; L100-F104 HydrophobicContact CD1-CZ 4.21Å; L100-F104 HydrophobicContact CD2-CE2 4.13Å; L100-F104 HydrophobicContact CG-CD2 4.19Å; L100-F104 HydrophobicContact CG-CE2 3.64Å; L100-F104 HydrophobicContact CG-CZ 4.42Å; L100-F104 WeakPolarHBondContact O-CD2 3.48Å; L100-F104 PolarHBondContact O-N 2.91Å; L100-F104 VanDerWaalsContact O-N 3.13Å; Q101-F104 PolarHBondContact O-N 3.33Å; F104-M106 PolarHBondContact O-N 3.18Å; F104-A107 PolarHBondContact O-N 3.41Å; F104-D108 WeakPolarHBondContact O-CB 3.3Å; F104-D108 PolarHBondContact O-N 3.27Å; F104-T169 HydrophobicContact CE1-CG2 4.45Å; F104-T169 HydrophobicContact CZ-CG2 4.01Å; F104-T172 HydrophobicContact CD1-CG2 3.9Å; F104-T172 HydrophobicContact CD2-CG2 3.85Å; F104-T172 HydrophobicContact CE1-CG2 3.61Å; F104-T172 HydrophobicContact CE2-CG2 3.53Å; F104-T172 HydrophobicContact CG-CG2 4.04Å; F104-T172 VanDerWaalsContact CZ-CB 3.41Å; F104-T172 HydrophobicContact CZ-CG2 3.42Å; F104-T172 VanDerWaalsContact CZ-CG2 3.42Å; F104-E173 HydrophobicContact CE1-CG 4.11Å; F104-Y209 HydrophobicContact CD2-CD2 4.48Å; F104-Y209 HydrophobicContact CE2-CG 4.46Å
105L97.4Very high96.6Very high24 Ų2421.3 Ų21.313%0.12613%0.125CC..Hα-helixtrans-64.6-38.6-179.1-69.1177.9000112.5Q101 A102 F103 D108 D109Q101-L105 HydrophobicContact CG-CD1 3.86Å; Q101-L105 HydrophobicContact CG-CG 4.1Å; Q101-L105 VanDerWaalsContact O-CG 3.29Å; Q101-L105 WeakPolarHBondContact O-CG 3.45Å; Q101-L105 PolarHBondContact O-N 3.07Å; A102-L105 PolarHBondContact O-N 3.4Å; F103-L105 PolarHBondContact O-N 3.32Å; L105-D108 PolarHBondContact O-N 2.92Å; L105-D109 VanDerWaalsContact O-CB 3.25Å; L105-D109 WeakPolarHBondContact O-CB 3.18Å; L105-D109 PolarHBondContact O-N 2.87Å
106M98.2Very high96.4Very high4 Ų423.4 Ų23.42%0.0214%0.138CC..Hα-helixtrans-63.2-43177.1-73.317067.400111.5I53 N57 A102 F103 F104 I110 W123 D136 V140I53-M106 HydrophobicContact CG2-CE 3.84Å; I53-M106 HydrophobicContact CG2-SD 4.19Å; N57-M106 HydrophobicContact CB-CG 4.28Å; N57-M106 HydrophobicContact CB-SD 3.86Å; A102-M106 WeakPolarHBondContact O-CB 3.49Å; A102-M106 WeakPolarHBondContact O-CG 3.47Å; A102-M106 PolarHBondContact O-N 3.48Å; F103-M106 PolarHBondContact O-N 3.04Å; F104-M106 PolarHBondContact O-N 3.18Å; M106-I110 WeakPolarHBondContact O-CG1 3.14Å; M106-W123 HydrophobicContact CE-CG 4.09Å; M106-D136 HydrophobicContact CE-CB 3.69Å; M106-V140 HydrophobicContact SD-CG2 3.99Å
107A98.3Very high96.1Very high25 Ų2525.8 Ų25.821%0.20715%0.147CC..Hα-helixtrans-70.4-44.9176.500000112F103 F104 D109 I110 M111F103-A107 PolarHBondContact O-N 3.33Å; F104-A107 PolarHBondContact O-N 3.41Å; A107-D109 PolarHBondContact O-N 3.41Å; A107-I110 WeakPolarHBondContact O-CB 3.23Å; A107-I110 PolarHBondContact O-N 3.25Å; A107-M111 HydrophobicContact CB-CE 4.1Å; A107-M111 WeakPolarHBondContact O-CG 3.47Å; A107-M111 PolarHBondContact O-N 3.13Å
108D96.2Very high95.7Very high21 Ų2129.2 Ų29.211%0.11216%0.16CC..Hα-helixtrans-59.5-44.5178.3-175.577.7000111.4F104 L105 I110 M111 D112 R117 Q176 K205F104-D108 WeakPolarHBondContact O-CB 3.3Å; F104-D108 PolarHBondContact O-N 3.27Å; L105-D108 PolarHBondContact O-N 2.92Å; D108-I110 PolarHBondContact O-N 2.91Å; D108-M111 PolarHBondContact O-N 3.44Å; D108-M111 VanDerWaalsContact O-N 3.11Å; D108-D112 WeakPolarHBondContact O-CB 3.44Å; D108-D112 PolarHBondContact O-N 3.21Å; D108-R117 IonicContact OD2-NH2 3.7Å; D108-Q176 PolarHBondContact OD1-NE2 2.91Å; D108-K205 IonicContact OD1-NZ 3.1Å; D108-K205 PolarHBondContact OD1-NZ 3.48Å
109D96Very high95.2Very high4 Ų432.1 Ų32.12%0.02119%0.19CC..Hα-helixtrans-58.4-33.3177.6-77.6-15.9000112.5L105 A107 A113 S114 R117 C122 Y124L105-D109 VanDerWaalsContact O-CB 3.25Å; L105-D109 WeakPolarHBondContact O-CB 3.18Å; L105-D109 PolarHBondContact O-N 2.87Å; A107-D109 PolarHBondContact O-N 3.41Å; D109-A113 CarbonylContact O-C 3.37Å; D109-A113 PolarHBondContact O-N 3.05Å; D109-S114 PolarHBondContact O-N 3.38Å; D109-R117 IonicContact OD1-CZ 2.84Å; D109-R117 VanDerWaalsContact OD1-CZ 3.23Å; D109-R117 IonicContact OD1-NE 2.7Å; D109-R117 PolarHBondContact OD1-NE 2.87Å; D109-R117 IonicContact OD1-NH2 2.89Å; D109-R117 PolarHBondContact OD1-NH2 2.91Å; D109-R117 WeakPolarHBondContact OD2-CB 3.44Å; D109-R117 IonicContact OD2-NE 2.7Å; D109-C122 HydrophobicContact CB-CB 3.97Å; D109-C122 PolarHBondContact OD2-SG 2.88Å; D109-Y124 HydrophobicContact CB-CD1 4.28Å; D109-Y124 HydrophobicContact CB-CE1 4.14Å; D109-Y124 WeakPolarHBondContact O-CE1 3.41Å; D109-Y124 PolarHBondContact O-OH 2.98Å
110I96.6Very high94.9Very high34 Ų3436.6 Ų36.617%0.17421%0.211CC..Hα-helixtrans-73.9-49.7175.4-62.1165.4000110.3M106 A107 D108 D112 A113 Y124 L131 A133 I134M106-I110 WeakPolarHBondContact O-CG1 3.14Å; A107-I110 WeakPolarHBondContact O-CB 3.23Å; A107-I110 PolarHBondContact O-N 3.25Å; D108-I110 PolarHBondContact O-N 2.91Å; I110-D112 VanDerWaalsContact C-N 3.28Å; I110-D112 PolarHBondContact O-N 3.48Å; I110-A113 PolarHBondContact O-N 2.82Å; I110-Y124 HydrophobicContact CG1-CD1 3.82Å; I110-Y124 HydrophobicContact CG1-CD2 4.19Å; I110-Y124 HydrophobicContact CG1-CE1 4.5Å; I110-Y124 HydrophobicContact CG1-CG 3.64Å; I110-L131 HydrophobicContact CG2-CD2 4Å; I110-A133 HydrophobicContact CD1-CB 3.74Å; I110-I134 HydrophobicContact CD1-CG1 3.89Å
111M94Very high94.8Very high90 Ų9039.8 Ų39.844%0.44323%0.232SC..Hα-helixtrans-61.9-37.8-177.8-69.9-175.7-72.900112A107 D108 A113 Q176 L180A107-M111 HydrophobicContact CB-CE 4.1Å; A107-M111 WeakPolarHBondContact O-CG 3.47Å; A107-M111 PolarHBondContact O-N 3.13Å; D108-M111 PolarHBondContact O-N 3.44Å; D108-M111 VanDerWaalsContact O-N 3.11Å; M111-A113 VanDerWaalsContact C-N 3.34Å; M111-Q176 HydrophobicContact CE-CG 3.77Å; M111-Q176 HydrophobicContact SD-CG 4.41Å; M111-L180 HydrophobicContact CB-CD2 4.28Å; M111-L180 HydrophobicContact SD-CD1 3.62Å
112D90.4Very high94.7Very high23 Ų2338.9 Ų38.912%0.12323%0.228CC..THydrogen-bonded Turntrans-91.83.5-179.2-69.3-3.3000112.6D108 I110 S114 K271D108-D112 WeakPolarHBondContact O-CB 3.44Å; D108-D112 PolarHBondContact O-N 3.21Å; I110-D112 VanDerWaalsContact C-N 3.28Å; I110-D112 PolarHBondContact O-N 3.48Å; D112-S114 PolarHBondContact O-N 3.21Å; D112-K271 IonicContact OD1-NZ 3.94Å; D112-K271 PolarHBondContact OD1-NZ 3.43Å; D112-K271 WeakPolarHBondContact OD2-CE 3.34Å; D112-K271 IonicContact OD2-NZ 2.78Å; D112-K271 PolarHBondContact OD2-NZ 3.15Å
113A91.3Very high94.7Very high55 Ų5539 Ų3946%0.45523%0.228SC..THydrogen-bonded Turntrans51.432-177.800000114D109 I110 M111 Y124D109-A113 CarbonylContact O-C 3.37Å; D109-A113 PolarHBondContact O-N 3.05Å; I110-A113 PolarHBondContact O-N 2.82Å; M111-A113 VanDerWaalsContact C-N 3.34Å; A113-Y124 VanDerWaalsContact CA-OH 3.22Å; A113-Y124 WeakPolarHBondContact CA-OH 3.22Å; A113-Y124 PolarHBondContact O-OH 3.12Å
114S91.3Very high94.7Very high16 Ų1639.8 Ų39.811%0.11223%0.231CC..  trans-61.9149.1-178.2-77.70000112.3D109 D112 Y124D109-S114 PolarHBondContact O-N 3.38Å; D112-S114 PolarHBondContact O-N 3.21Å; S114-Y124 PolarHBondContact N-OH 2.98Å; S114-Y124 VanDerWaalsContact O-CE1 3.23Å; S114-Y124 WeakPolarHBondContact O-CE1 3.47Å; S114-Y124 PolarHBondContact O-OH 3.02Å
115V93Very high94.7Very high96 Ų9643.8 Ų43.858%0.58225%0.248SC*.  trans-98.5-43.8-177-176.30000112.1C122V115-C122 VanDerWaalsContact C-SG 3.5Å; V115-C122 PolarHBondContact O-N 3.08Å
116T93.4Very high94.7Very high44 Ų4446.4 Ų46.427%0.2726%0.256SS..EExtended strand (participates in β ladder)trans-132.8143-174.959.30000112Q120 C122T116-Q120 CarbonylContact C-O 3.47Å; T116-Q120 WeakPolarHBondContact CA-O 3.42Å; T116-Q120 WeakPolarHBondContact CB-O 3.37Å; T116-C122 VanDerWaalsContact C-SG 3.5Å; T116-C122 PolarHBondContact N-SG 3.41Å
117R92.8Very high94.6Very high51 Ų5153.3 Ų53.319%0.19230%0.299CS..EExtended strand (participates in β ladder)trans-136.2132.2174-177.963.465.5179.36.1109.1D108 D109 G119 Q120D108-R117 IonicContact OD2-NH2 3.7Å; D109-R117 IonicContact OD1-CZ 2.84Å; D109-R117 VanDerWaalsContact OD1-CZ 3.23Å; D109-R117 IonicContact OD1-NE 2.7Å; D109-R117 PolarHBondContact OD1-NE 2.87Å; D109-R117 IonicContact OD1-NH2 2.89Å; D109-R117 PolarHBondContact OD1-NH2 2.91Å; D109-R117 WeakPolarHBondContact OD2-CB 3.44Å; D109-R117 IonicContact OD2-NE 2.7Å; R117-G119 PolarHBondContact O-N 3.19Å; R117-G119 VanDerWaalsContact O-N 3.17Å; R117-Q120 PolarHBondContact N-O 3.41Å; R117-Q120 PolarHBondContact O-N 3.1Å; R117-Q120 VanDerWaalsContact O-O 3.04Å
118R89.6Confident94.5Very high71 Ų7155.6 Ų55.627%0.26833%0.325SS..THydrogen-bonded Turntrans54.635.1177.4-61.7167176.7-161.6-8.5113N57 V58 G60 Q120N57-R118 PolarHBondContact O-NH1 3.43Å; V58-R118 PolarHBondContact O-NH1 2.88Å; G60-R118 PolarHBondContact O-NH1 3.46Å; R118-Q120 VanDerWaalsContact C-N 3.31Å; R118-Q120 PolarHBondContact O-N 2.94Å
119G88.9Confident94.6Very high62 Ų6255 Ų5564%0.63932%0.322SS*.THydrogen-bonded Turntrans76.89.8-18000000115.5R117 G261R117-G119 PolarHBondContact O-N 3.19Å; R117-G119 VanDerWaalsContact O-N 3.17Å; G119-G261 PolarHBondContact N-O 2.86Å
120Q92.9Very high94.8Very high95 Ų9556.5 Ų56.544%0.44434%0.337SS..EExtended strand (participates in β ladder)trans-129.1163177.4-58.3-175.9-6.400110.2Y56 T116 R117 R118Y56-Q120 VanDerWaalsContact CE2-OE1 3.27Å; Y56-Q120 WeakPolarHBondContact OH-CB 3.06Å; T116-Q120 CarbonylContact C-O 3.47Å; T116-Q120 WeakPolarHBondContact CA-O 3.42Å; T116-Q120 WeakPolarHBondContact CB-O 3.37Å; R117-Q120 PolarHBondContact N-O 3.41Å; R117-Q120 PolarHBondContact O-N 3.1Å; R117-Q120 VanDerWaalsContact O-O 3.04Å; R118-Q120 VanDerWaalsContact C-N 3.31Å; R118-Q120 PolarHBondContact O-N 2.94Å
121P96.1Very high94.8Very high67 Ų6760.3 Ų60.344%0.43536%0.358SS..EExtended strand (participates in β ladder)trans-55.6140.4171.7-25.135000111.6Y56 K125Y56-P121 WeakPolarHBondContact CE1-O 3.25Å; Y56-P121 PolarHBondContact OH-O 3.37Å; P121-K125 HydrophobicContact CB-CB 4.41Å
122C97.5Very high95.1Very high1 Ų161.1 Ų61.11%0.00736%0.364CS..  trans-54.6146.6170.4-66.20000110.1D109 V115 T116 Y124 K125D109-C122 HydrophobicContact CB-CB 3.97Å; D109-C122 PolarHBondContact OD2-SG 2.88Å; V115-C122 VanDerWaalsContact C-SG 3.5Å; V115-C122 PolarHBondContact O-N 3.08Å; T116-C122 VanDerWaalsContact C-SG 3.5Å; T116-C122 PolarHBondContact N-SG 3.41Å; C122-Y124 VanDerWaalsContact C-N 3.31Å; C122-Y124 HydrophobicContact CB-CD1 3.71Å; C122-Y124 HydrophobicContact CB-CE1 3.65Å; C122-Y124 PolarHBondContact O-N 3.25Å; C122-K125 HydrophobicContact CB-CG 4.28Å; C122-K125 WeakPolarHBondContact O-CA 3.45Å; C122-K125 WeakPolarHBondContact O-CB 3.47Å; C122-K125 PolarHBondContact O-N 3.14Å
123W98.3Very high95.5Very high2 Ų260 Ų601%0.00836%0.358CS..G310 helixtrans-52.1-48.2-172.6179.9-114.9000113.2R49 E52 I53 Y56 N57 M106 K125 R126 I129 D136R49-W123 VanDerWaalsContact CZ-CZ2 3.44Å; E52-W123 HydrophobicContact CB-CH2 4.37Å; E52-W123 HydrophobicContact CG-CH2 3.86Å; E52-W123 HydrophobicContact CG-CZ3 4.38Å; I53-W123 HydrophobicContact CB-CZ2 4.4Å; I53-W123 HydrophobicContact CG1-CH2 4.14Å; I53-W123 HydrophobicContact CG1-CZ2 3.53Å; Y56-W123 AromaticContact CD1-CE3 3.51Å; Y56-W123 HydrophobicContact CD1-CE3 3.51Å; Y56-W123 AromaticContact CD1-CZ3 3.99Å; Y56-W123 HydrophobicContact CD1-CZ3 3.99Å; Y56-W123 HydrophobicContact CD2-CZ3 4.28Å; Y56-W123 HydrophobicContact CE1-CE3 4.07Å; Y56-W123 AromaticContact CG-CE3 3.76Å; Y56-W123 HydrophobicContact CG-CE3 3.76Å; Y56-W123 AromaticContact CG-CZ3 3.71Å; Y56-W123 HydrophobicContact CG-CZ3 3.71Å; N57-W123 WeakPolarHBondContact OD1-CB 3.5Å; M106-W123 HydrophobicContact CE-CG 4.09Å; W123-K125 PolarHBondContact O-N 2.87Å; W123-K125 VanDerWaalsContact O-N 3.11Å; W123-R126 WeakPolarHBondContact O-CB 3.45Å; W123-R126 PolarHBondContact O-N 3.07Å; W123-I129 HydrophobicContact CD2-CG2 4.35Å; W123-I129 HydrophobicContact CG-CG2 4.23Å; W123-I129 HydrophobicContact CH2-CD1 4.17Å; W123-I129 HydrophobicContact CZ2-CD1 3.8Å; W123-I129 HydrophobicContact CZ2-CG1 4.44Å; W123-I129 WeakPolarHBondContact O-CB 3.32Å; W123-I129 WeakPolarHBondContact O-CG2 3.46Å; W123-D136 PolarHBondContact NE1-OD2 3.37Å
124Y98.6Very high95.8Very high26 Ų2661 Ų6110%0.10235%0.354CS..G310 helixtrans-64.2-16.4179.686.3-80.7000114.3D109 I110 A113 S114 C122 G130D109-Y124 HydrophobicContact CB-CD1 4.28Å; D109-Y124 HydrophobicContact CB-CE1 4.14Å; D109-Y124 WeakPolarHBondContact O-CE1 3.41Å; D109-Y124 PolarHBondContact O-OH 2.98Å; I110-Y124 HydrophobicContact CG1-CD1 3.82Å; I110-Y124 HydrophobicContact CG1-CD2 4.19Å; I110-Y124 HydrophobicContact CG1-CE1 4.5Å; I110-Y124 HydrophobicContact CG1-CG 3.64Å; A113-Y124 VanDerWaalsContact CA-OH 3.22Å; A113-Y124 WeakPolarHBondContact CA-OH 3.22Å; A113-Y124 PolarHBondContact O-OH 3.12Å; S114-Y124 PolarHBondContact N-OH 2.98Å; S114-Y124 VanDerWaalsContact O-CE1 3.23Å; S114-Y124 WeakPolarHBondContact O-CE1 3.47Å; S114-Y124 PolarHBondContact O-OH 3.02Å; C122-Y124 VanDerWaalsContact C-N 3.31Å; C122-Y124 HydrophobicContact CB-CD1 3.71Å; C122-Y124 HydrophobicContact CB-CE1 3.65Å; C122-Y124 PolarHBondContact O-N 3.25Å; Y124-G130 WeakPolarHBondContact CA-O 3.48Å; Y124-G130 WeakPolarHBondContact CB-O 3.34Å; Y124-G130 WeakPolarHBondContact O-CA 3.2Å; Y124-G130 PolarHBondContact O-N 3.04Å
125K97.9Very high96.2Very high109 Ų10964.6 Ų64.647%0.47437%0.373SS..G310 helixtrans-87.9-11.1175.8-68-68-167.6-162.80113.4P121 C122 W123P121-K125 HydrophobicContact CB-CB 4.41Å; C122-K125 HydrophobicContact CB-CG 4.28Å; C122-K125 WeakPolarHBondContact O-CA 3.45Å; C122-K125 WeakPolarHBondContact O-CB 3.47Å; C122-K125 PolarHBondContact O-N 3.14Å; W123-K125 PolarHBondContact O-N 2.87Å; W123-K125 VanDerWaalsContact O-N 3.11Å
126R97.8Very high96.4Very high79 Ų7960.3 Ų60.330%0.29835%0.347SS..SBendtrans-68.5146.1176.1-67.8-174.172.4-153.8-7.3110.4E52 W123 G128 I129E52-R126 IonicContact OE1-CZ 2.59Å; E52-R126 IonicContact OE1-NH1 3.23Å; E52-R126 PolarHBondContact OE1-NH1 2.82Å; E52-R126 IonicContact OE1-NH2 2.98Å; E52-R126 PolarHBondContact OE1-NH2 3.04Å; E52-R126 VanDerWaalsContact OE1-NH2 3.08Å; W123-R126 WeakPolarHBondContact O-CB 3.45Å; W123-R126 PolarHBondContact O-N 3.07Å; R126-G128 PolarHBondContact O-N 2.96Å; R126-I129 HydrophobicContact CB-CB 4.48Å; R126-I129 HydrophobicContact CB-CG1 3.52Å; R126-I129 WeakPolarHBondContact O-CB 3.34Å; R126-I129 WeakPolarHBondContact O-CG1 3.44Å; R126-I129 PolarHBondContact O-N 2.7Å; R126-I129 VanDerWaalsContact O-N 3.12Å
127T96.7Very high96.7Very high149 Ų14958.3 Ų58.391%0.91433%0.334SS*.THydrogen-bonded Turntrans-57.2127.6178.7-53.20000110.6I129T127-I129 VanDerWaalsContact C-N 3.34Å
128G96.3Very high97Very high72 Ų7260.9 Ų60.974%0.74235%0.347SS*.THydrogen-bonded Turntrans80.56.6179.300000115.3R126R126-G128 PolarHBondContact O-N 2.96Å
129I98.3Very high97.4Very high10 Ų1060.4 Ų60.45%0.05135%0.349CS..THydrogen-bonded Turntrans-98-64.4175.1-47.8-55.7000111R49 W123 R126 T127 L131 D132 A133R49-I129 VanDerWaalsContact CZ-CD1 3.41Å; W123-I129 HydrophobicContact CD2-CG2 4.35Å; W123-I129 HydrophobicContact CG-CG2 4.23Å; W123-I129 HydrophobicContact CH2-CD1 4.17Å; W123-I129 HydrophobicContact CZ2-CD1 3.8Å; W123-I129 HydrophobicContact CZ2-CG1 4.44Å; W123-I129 WeakPolarHBondContact O-CB 3.32Å; W123-I129 WeakPolarHBondContact O-CG2 3.46Å; R126-I129 HydrophobicContact CB-CB 4.48Å; R126-I129 HydrophobicContact CB-CG1 3.52Å; R126-I129 WeakPolarHBondContact O-CB 3.34Å; R126-I129 WeakPolarHBondContact O-CG1 3.44Å; R126-I129 PolarHBondContact O-N 2.7Å; R126-I129 VanDerWaalsContact O-N 3.12Å; T127-I129 VanDerWaalsContact C-N 3.34Å; I129-L131 PolarHBondContact O-N 2.96Å; I129-D132 WeakPolarHBondContact O-CB 3.48Å; I129-D132 PolarHBondContact O-N 3.4Å; I129-A133 HydrophobicContact CG2-CB 3.88Å
130G98.3Very high97.9Very high34 Ų3457.5 Ų57.535%0.35132%0.319SS..G310 helixtrans52.9-135.5-175.500000112.3Y124 D132 A133Y124-G130 WeakPolarHBondContact CA-O 3.48Å; Y124-G130 WeakPolarHBondContact CB-O 3.34Å; Y124-G130 WeakPolarHBondContact O-CA 3.2Å; Y124-G130 PolarHBondContact O-N 3.04Å; G130-D132 VanDerWaalsContact C-N 3.29Å; G130-D132 PolarHBondContact O-N 3.36Å; G130-A133 VanDerWaalsContact O-CB 3.3Å; G130-A133 WeakPolarHBondContact O-CB 3.3Å; G130-A133 PolarHBondContact O-N 2.94Å
131L98.6Very high98.1Very high115 Ų11555 Ų5560%0.60231%0.307SS*.G310 helixtrans-80.7-3.3-177.6-62.4-178.8000114.2I110 I129 A133 I134I110-L131 HydrophobicContact CG2-CD2 4Å; I129-L131 PolarHBondContact O-N 2.96Å; L131-A133 PolarHBondContact O-N 3.45Å; L131-A133 VanDerWaalsContact O-N 3.12Å; L131-I134 HydrophobicContact CB-CD1 4.26Å; L131-I134 HydrophobicContact CD2-CD1 4.49Å; L131-I134 WeakPolarHBondContact O-CB 3.44Å; L131-I134 WeakPolarHBondContact O-CG1 3.36Å; L131-I134 PolarHBondContact O-N 3.49Å
132D98.6Very high98.2Very high107 Ų10754.1 Ų54.157%0.57231%0.306SS*.G310 helixtrans-59.7-23.1169.2-62.4-9.2000110.7I129 G130 I134 N135 D136I129-D132 WeakPolarHBondContact O-CB 3.48Å; I129-D132 PolarHBondContact O-N 3.4Å; G130-D132 VanDerWaalsContact C-N 3.29Å; G130-D132 PolarHBondContact O-N 3.36Å; D132-I134 PolarHBondContact O-N 3.17Å; D132-N135 PolarHBondContact O-N 3.4Å; D132-D136 PolarHBondContact O-N 2.91Å
133A98.6Very high98.3Very high0 Ų054.2 Ų54.20%031%0.307CS..Hα-helixtrans-49.7-26169.500000114.5I110 I129 G130 L131 S137I110-A133 HydrophobicContact CD1-CB 3.74Å; I129-A133 HydrophobicContact CG2-CB 3.88Å; G130-A133 VanDerWaalsContact O-CB 3.3Å; G130-A133 WeakPolarHBondContact O-CB 3.3Å; G130-A133 PolarHBondContact O-N 2.94Å; L131-A133 PolarHBondContact O-N 3.45Å; L131-A133 VanDerWaalsContact O-N 3.12Å; A133-S137 PolarHBondContact O-N 3.35Å
134I98.8Very high98.3Very high74 Ų7454.1 Ų54.138%0.37931%0.306SS..Hα-helixtrans-65.7-50174.7-63.1171.5000110.1I110 L131 D132 D136 S137 F138I110-I134 HydrophobicContact CD1-CG1 3.89Å; L131-I134 HydrophobicContact CB-CD1 4.26Å; L131-I134 HydrophobicContact CD2-CD1 4.49Å; L131-I134 WeakPolarHBondContact O-CB 3.44Å; L131-I134 WeakPolarHBondContact O-CG1 3.36Å; L131-I134 PolarHBondContact O-N 3.49Å; D132-I134 PolarHBondContact O-N 3.17Å; I134-D136 VanDerWaalsContact C-N 3.31Å; I134-D136 PolarHBondContact O-N 3.49Å; I134-S137 PolarHBondContact O-N 3.39Å; I134-S137 PolarHBondContact O-OG 3.02Å; I134-F138 HydrophobicContact CG2-CE1 4.44Å; I134-F138 HydrophobicContact CG2-CE2 3.66Å; I134-F138 HydrophobicContact CG2-CZ 3.57Å; I134-F138 WeakPolarHBondContact O-CD2 3.2Å; I134-F138 WeakPolarHBondContact O-CG 3.42Å; I134-F138 PolarHBondContact O-N 3.34Å
135N98.8Very high98.3Very high93 Ų9355.1 Ų55.150%0.49731%0.31SS..Hα-helixtrans-67.1-37.2176.117880000111.3D132 S137 F138 L139D132-N135 PolarHBondContact O-N 3.4Å; N135-S137 VanDerWaalsContact C-N 3.25Å; N135-S137 PolarHBondContact O-N 3.01Å; N135-F138 WeakPolarHBondContact O-CB 3.48Å; N135-F138 PolarHBondContact O-N 2.98Å; N135-F138 VanDerWaalsContact O-N 3.17Å; N135-L139 PolarHBondContact O-N 3.39Å
136D98.8Very high98.2Very high6 Ų653.8 Ų53.83%0.03230%0.302CS..Hα-helixtrans-60-36.4177.3-63.2-26.3000111.9R49 I53 M106 W123 D132 I134 L139 V140R49-D136 IonicContact CZ-OD2 2.67Å; R49-D136 IonicContact NE-OD1 3.41Å; R49-D136 PolarHBondContact NE-OD1 3.08Å; R49-D136 IonicContact NE-OD2 3.39Å; R49-D136 PolarHBondContact NE-OD2 3.38Å; R49-D136 IonicContact NH2-OD1 3.23Å; R49-D136 IonicContact NH2-OD2 3.14Å; R49-D136 PolarHBondContact NH2-OD2 3.48Å; I53-D136 HydrophobicContact CD1-CB 3.52Å; I53-D136 VanDerWaalsContact CD1-CG 3.46Å; I53-D136 VanDerWaalsContact CD1-OD1 3.29Å; I53-D136 WeakPolarHBondContact CD1-OD1 3.48Å; I53-D136 HydrophobicContact CG1-CB 3.92Å; I53-D136 HydrophobicContact CG2-CB 4.38Å; M106-D136 HydrophobicContact CE-CB 3.69Å; W123-D136 PolarHBondContact NE1-OD2 3.37Å; D132-D136 PolarHBondContact O-N 2.91Å; I134-D136 VanDerWaalsContact C-N 3.31Å; I134-D136 PolarHBondContact O-N 3.49Å; D136-L139 WeakPolarHBondContact O-CB 3.18Å; D136-L139 PolarHBondContact O-N 2.92Å; D136-V140 WeakPolarHBondContact O-CG2 3.35Å; D136-V140 PolarHBondContact O-N 2.7Å
137S98.7Very high98.2Very high1 Ų150.1 Ų50.11%0.00729%0.288CS..Hα-helixtrans-67.6-40.1176.480.50000111.5F103 A133 I134 N135 L139 V140 E141F103-S137 VanDerWaalsContact CD2-O 3.32Å; F103-S137 WeakPolarHBondContact CD2-O 3.32Å; A133-S137 PolarHBondContact O-N 3.35Å; I134-S137 PolarHBondContact O-N 3.39Å; I134-S137 PolarHBondContact O-OG 3.02Å; N135-S137 VanDerWaalsContact C-N 3.25Å; N135-S137 PolarHBondContact O-N 3.01Å; S137-L139 VanDerWaalsContact C-N 3.29Å; S137-L139 PolarHBondContact O-N 2.9Å; S137-V140 WeakPolarHBondContact O-CB 3.39Å; S137-V140 PolarHBondContact O-N 2.8Å; S137-V140 VanDerWaalsContact O-N 3.15Å; S137-E141 PolarHBondContact O-N 3.04Å; S137-E141 VanDerWaalsContact O-N 3.08Å
138F98.7Very high98.2Very high106 Ų10643 Ų4347%0.46525%0.245SC..Hα-helixtrans-62.4-35.5173.8-53.8-30.4000112.4F103 I134 N135 V140 E141 A142F103-F138 HydrophobicContact CE2-CD1 4.14Å; F103-F138 HydrophobicContact CE2-CE1 4.47Å; I134-F138 HydrophobicContact CG2-CE1 4.44Å; I134-F138 HydrophobicContact CG2-CE2 3.66Å; I134-F138 HydrophobicContact CG2-CZ 3.57Å; I134-F138 WeakPolarHBondContact O-CD2 3.2Å; I134-F138 WeakPolarHBondContact O-CG 3.42Å; I134-F138 PolarHBondContact O-N 3.34Å; N135-F138 WeakPolarHBondContact O-CB 3.48Å; N135-F138 PolarHBondContact O-N 2.98Å; N135-F138 VanDerWaalsContact O-N 3.17Å; F138-V140 VanDerWaalsContact C-N 3.34Å; F138-E141 PolarHBondContact O-N 2.86Å; F138-A142 VanDerWaalsContact O-CB 3.31Å; F138-A142 WeakPolarHBondContact O-CB 3.46Å; F138-A142 PolarHBondContact O-N 3.49Å
139L98.3Very high98.2Very high61 Ų6146.8 Ų46.832%0.31924%0.237SC..Hα-helixtrans-64.6-37.5174.6-74.1176.7000112.3L50 I53 N135 D136 S137 S143L50-L139 HydrophobicContact CD1-CB 4.2Å; I53-L139 HydrophobicContact CD1-CD1 4.24Å; N135-L139 PolarHBondContact O-N 3.39Å; D136-L139 WeakPolarHBondContact O-CB 3.18Å; D136-L139 PolarHBondContact O-N 2.92Å; S137-L139 VanDerWaalsContact C-N 3.29Å; S137-L139 PolarHBondContact O-N 2.9Å; L139-S143 WeakPolarHBondContact O-CB 3.49Å; L139-S143 PolarHBondContact O-N 2.89Å; L139-S143 PolarHBondContact O-OG 3.05Å
140V98.7Very high98Very high0 Ų051 Ų510%025%0.252CS..Hα-helixtrans-64.6-46174.4177.50000110.4I53 L54 M99 A102 F103 M106 D136 S137 F138 S143I53-V140 HydrophobicContact CG2-CG2 3.4Å; I53-V140 VanDerWaalsContact CG2-CG2 3.4Å; L54-V140 HydrophobicContact CD2-CG2 4.36Å; M99-V140 HydrophobicContact CB-CG1 3.91Å; M99-V140 HydrophobicContact CG-CG1 4.42Å; M99-V140 WeakPolarHBondContact O-CG1 3.48Å; A102-V140 HydrophobicContact CB-CG1 4.27Å; F103-V140 HydrophobicContact CB-CB 4.46Å; F103-V140 HydrophobicContact CB-CG1 4.3Å; M106-V140 HydrophobicContact SD-CG2 3.99Å; D136-V140 WeakPolarHBondContact O-CG2 3.35Å; D136-V140 PolarHBondContact O-N 2.7Å; S137-V140 WeakPolarHBondContact O-CB 3.39Å; S137-V140 PolarHBondContact O-N 2.8Å; S137-V140 VanDerWaalsContact O-N 3.15Å; F138-V140 VanDerWaalsContact C-N 3.34Å; V140-S143 WeakPolarHBondContact O-CB 3.18Å; V140-S143 PolarHBondContact O-N 3.31Å
141E98.7Very high97.8Very high42 Ų4252.3 Ų52.320%0.19625%0.249CC..Hα-helixtrans-61.5-49.2177.2-164.8-157.8170.100111.6F103 S137 F138 S143 I144 Y145F103-E141 HydrophobicContact CB-CB 4.34Å; F103-E141 HydrophobicContact CD1-CB 4.26Å; F103-E141 HydrophobicContact CD1-CG 4.16Å; F103-E141 HydrophobicContact CD2-CB 4.11Å; F103-E141 HydrophobicContact CE1-CG 4.31Å; F103-E141 HydrophobicContact CG-CB 3.97Å; F103-E141 HydrophobicContact CG-CG 4.38Å; S137-E141 PolarHBondContact O-N 3.04Å; S137-E141 VanDerWaalsContact O-N 3.08Å; F138-E141 PolarHBondContact O-N 2.86Å; E141-S143 PolarHBondContact O-N 2.79Å; E141-I144 HydrophobicContact CG-CD1 4.48Å; E141-I144 VanDerWaalsContact O-CB 3.24Å; E141-I144 WeakPolarHBondContact O-CB 3.48Å; E141-I144 PolarHBondContact O-N 3.3Å; E141-Y145 HydrophobicContact CG-CE2 4.15Å
142A98.3Very high97.7Very high49 Ų4946.9 Ų46.941%0.40522%0.22SC..Hα-helixtrans-58.4-34.5178.800000112.5F138 I144 Y145 R146F138-A142 VanDerWaalsContact O-CB 3.31Å; F138-A142 WeakPolarHBondContact O-CB 3.46Å; F138-A142 PolarHBondContact O-N 3.49Å; A142-I144 VanDerWaalsContact C-N 3.26Å; A142-I144 PolarHBondContact O-N 3.36Å; A142-Y145 PolarHBondContact O-N 3.42Å; A142-R146 PolarHBondContact O-N 3.17Å
143S98.4Very high97.6Very high4 Ų449.9 Ų49.93%0.02822%0.224CC..Hα-helixtrans-61.7-31.9178.1-65.30000112.9L139 V140 E141 Y145 R146 L147L139-S143 WeakPolarHBondContact O-CB 3.49Å; L139-S143 PolarHBondContact O-N 2.89Å; L139-S143 PolarHBondContact O-OG 3.05Å; V140-S143 WeakPolarHBondContact O-CB 3.18Å; V140-S143 PolarHBondContact O-N 3.31Å; E141-S143 PolarHBondContact O-N 2.79Å; S143-Y145 PolarHBondContact O-N 3.23Å; S143-R146 PolarHBondContact O-N 3.33Å; S143-L147 WeakPolarHBondContact O-CG 3.11Å; S143-L147 PolarHBondContact O-N 3.09Å; S143-L147 VanDerWaalsContact O-N 3.08Å
144I98.6Very high97.6Very high0 Ų053.3 Ų53.30%026%0.259CS..Hα-helixtrans-56.9-52.6176.5-63.4163.8000110.3C96 M99 L100 E141 A142 R146 L147 L148 F165C96-I144 HydrophobicContact CB-CG2 3.78Å; M99-I144 HydrophobicContact CB-CD1 4.2Å; M99-I144 HydrophobicContact CB-CG1 3.75Å; L100-I144 HydrophobicContact CB-CD1 3.73Å; L100-I144 HydrophobicContact CD1-CD1 3.92Å; L100-I144 HydrophobicContact CG-CD1 4.43Å; E141-I144 HydrophobicContact CG-CD1 4.48Å; E141-I144 VanDerWaalsContact O-CB 3.24Å; E141-I144 WeakPolarHBondContact O-CB 3.48Å; E141-I144 PolarHBondContact O-N 3.3Å; A142-I144 VanDerWaalsContact C-N 3.26Å; A142-I144 PolarHBondContact O-N 3.36Å; I144-R146 VanDerWaalsContact C-N 3.27Å; I144-R146 PolarHBondContact O-N 2.76Å; I144-L147 PolarHBondContact O-N 3.12Å; I144-L148 HydrophobicContact CG2-CD1 3.85Å; I144-L148 HydrophobicContact CG2-CG 4.28Å; I144-L148 WeakPolarHBondContact O-CG 3.24Å; I144-L148 PolarHBondContact O-N 2.59Å; I144-F165 HydrophobicContact CG2-CD1 3.8Å; I144-F165 HydrophobicContact CG2-CE1 3.83Å
145Y97.9Very high97.5Very high47 Ų4752.5 Ų52.518%0.18425%0.254CS..Hα-helixtrans-69.8-26.7-175.1-56.5-67.7000112.4E141 A142 S143 R149 L162 F165 N166E141-Y145 HydrophobicContact CG-CE2 4.15Å; A142-Y145 PolarHBondContact O-N 3.42Å; S143-Y145 PolarHBondContact O-N 3.23Å; Y145-R149 WeakPolarHBondContact O-CB 3.48Å; Y145-R149 PolarHBondContact O-N 2.89Å; Y145-L162 HydrophobicContact CD1-CD2 3.92Å; Y145-F165 HydrophobicContact CE1-CB 4.19Å; Y145-N166 PolarHBondContact OH-OD1 2.82Å
146R96.8Very high97.5Very high81 Ų8153.7 Ų53.731%0.30627%0.266SS..Hα-helixtrans-65.6-49.1170.8-63.3-17572.3112.64.5111.6L33 D37 A142 S143 I144 R149 R150L33-R146 HydrophobicContact CD2-CB 3.97Å; D37-R146 IonicContact OD2-CZ 2.71Å; D37-R146 IonicContact OD2-NE 3.16Å; D37-R146 PolarHBondContact OD2-NE 3.17Å; D37-R146 IonicContact OD2-NH2 3.77Å; D37-R146 PolarHBondContact OD2-NH2 3.33Å; A142-R146 PolarHBondContact O-N 3.17Å; S143-R146 PolarHBondContact O-N 3.33Å; I144-R146 VanDerWaalsContact C-N 3.27Å; I144-R146 PolarHBondContact O-N 2.76Å; R146-R149 PolarHBondContact O-N 3.31Å; R146-R150 WeakPolarHBondContact O-CB 2.77Å; R146-R150 PolarHBondContact O-N 3.46Å
147L97.6Very high97.4Very high1 Ų154.2 Ų54.21%0.00527%0.268CS..Hα-helixtrans-62.5-48.9178.4-69.5179.9000111.6L29 E32 L33 L92 M99 S143 I144 R149 R150 Q151L29-L147 HydrophobicContact CB-CD1 4.19Å; L29-L147 HydrophobicContact CB-CD2 4.35Å; L29-L147 HydrophobicContact CD1-CD1 4.33Å; L29-L147 HydrophobicContact CD2-CD1 4.33Å; L29-L147 HydrophobicContact CD2-CD2 3.99Å; E32-L147 HydrophobicContact CG-CD2 4.43Å; L33-L147 HydrophobicContact CD1-CD1 4.02Å; L33-L147 HydrophobicContact CD1-CD2 4.21Å; L33-L147 HydrophobicContact CD1-CG 4.11Å; L33-L147 HydrophobicContact CD2-CD2 4.11Å; L33-L147 HydrophobicContact CD2-CG 4.1Å; L33-L147 HydrophobicContact CG-CD2 3.89Å; L33-L147 HydrophobicContact CG-CG 4.17Å; L92-L147 HydrophobicContact CD1-CB 4.36Å; L92-L147 HydrophobicContact CD2-CB 4.42Å; L92-L147 HydrophobicContact CG-CB 4.47Å; M99-L147 HydrophobicContact CE-CD1 3.77Å; M99-L147 HydrophobicContact SD-CD1 3.85Å; S143-L147 WeakPolarHBondContact O-CG 3.11Å; S143-L147 PolarHBondContact O-N 3.09Å; S143-L147 VanDerWaalsContact O-N 3.08Å; I144-L147 PolarHBondContact O-N 3.12Å; L147-R149 VanDerWaalsContact C-N 3.34Å; L147-R149 PolarHBondContact O-N 3Å; L147-R150 PolarHBondContact O-N 3.25Å; L147-Q151 WeakPolarHBondContact O-CB 3.25Å; L147-Q151 PolarHBondContact O-N 3.07Å
148L97.9Very high97.4Very high0 Ų056.2 Ų56.20%028%0.276CS..Hα-helixtrans-58.4-46.2176.9-69.4178.8000111.1L92 V93 C96 I144 R150 C152 Y158 L161 L162 F165L92-L148 HydrophobicContact CD2-CD2 4.06Å; V93-L148 HydrophobicContact CG2-CD2 4.02Å; C96-L148 HydrophobicContact CB-CD2 4.47Å; I144-L148 HydrophobicContact CG2-CD1 3.85Å; I144-L148 HydrophobicContact CG2-CG 4.28Å; I144-L148 WeakPolarHBondContact O-CG 3.24Å; I144-L148 PolarHBondContact O-N 2.59Å; L148-R150 PolarHBondContact O-N 2.82Å; L148-C152 VanDerWaalsContact O-CA 3.31Å; L148-C152 WeakPolarHBondContact O-CA 3.24Å; L148-C152 WeakPolarHBondContact O-CB 3.41Å; L148-C152 PolarHBondContact O-N 2.86Å; L148-Y158 HydrophobicContact CB-CE2 4.26Å; L148-L161 HydrophobicContact CD2-CD1 4.34Å; L148-L162 HydrophobicContact CD1-CD2 4.46Å; L148-F165 HydrophobicContact CD1-CD2 4.16Å; L148-F165 HydrophobicContact CD1-CE2 4.25Å; L148-F165 HydrophobicContact CD1-CG 4.3Å
149R96.1Very high97.4Very high151 Ų15155 Ų5557%0.5728%0.277SS*.Hα-helixtrans-60.8-45.1177-178.2178.1176.8-87.72.6111.7Y145 R146 L147 R153 Y158Y145-R149 WeakPolarHBondContact O-CB 3.48Å; Y145-R149 PolarHBondContact O-N 2.89Å; R146-R149 PolarHBondContact O-N 3.31Å; L147-R149 VanDerWaalsContact C-N 3.34Å; L147-R149 PolarHBondContact O-N 3Å; R149-R153 WeakPolarHBondContact O-CB 3.45Å; R149-R153 WeakPolarHBondContact O-CD 3.47Å; R149-R153 WeakPolarHBondContact O-CG 3.22Å; R149-R153 PolarHBondContact O-N 3.42Å; R149-Y158 WeakPolarHBondContact CA-OH 3.21Å; R149-Y158 WeakPolarHBondContact CB-OH 3.3Å
150R92.8Very high97.5Very high100 Ų10055 Ų5538%0.37728%0.275SS..Hα-helixtrans-67.6-40.5-173.8-173153.1164.8133.54.5112.2E32 D37 R146 L147 L148E32-R150 WeakPolarHBondContact OE1-CD 3.34Å; E32-R150 WeakPolarHBondContact OE1-CG 3.46Å; E32-R150 IonicContact OE1-NE 2.81Å; E32-R150 PolarHBondContact OE1-NE 2.89Å; E32-R150 IonicContact OE2-NE 3.91Å; E32-R150 PolarHBondContact OE2-NE 3.38Å; E32-R150 IonicContact OE2-NH2 2.79Å; D37-R150 IonicContact OD1-CZ 2.68Å; D37-R150 IonicContact OD1-NE 3.31Å; D37-R150 IonicContact OD1-NH1 2.61Å; D37-R150 PolarHBondContact OD1-NH1 3.49Å; R146-R150 WeakPolarHBondContact O-CB 2.77Å; R146-R150 PolarHBondContact O-N 3.46Å; L147-R150 PolarHBondContact O-N 3.25Å; L148-R150 PolarHBondContact O-N 2.82Å
151Q93.8Very high97.5Very high61 Ų6155 Ų5529%0.28528%0.275SS..Hα-helixtrans-104.7-25.7-167.8-61.8-79.5-7.700112.7E32 K89 L92 L147E32-Q151 PolarHBondContact OE1-NE2 3.49Å; E32-Q151 PolarHBondContact OE2-NE2 2.99Å; K89-Q151 WeakPolarHBondContact CE-O 3.29Å; L92-Q151 HydrophobicContact CD1-CB 3.43Å; L92-Q151 VanDerWaalsContact CD1-CB 3.43Å; L92-Q151 HydrophobicContact CD1-CG 3.32Å; L147-Q151 WeakPolarHBondContact O-CB 3.25Å; L147-Q151 PolarHBondContact O-N 3.07Å
152C97.1Very high97.5Very high0 Ų054.9 Ų54.90%028%0.275CS..Hα-helixtrans-110.7-9.9-176.7-57.70000114.5L148 G154 Q155 Y157 Y158L148-C152 VanDerWaalsContact O-CA 3.31Å; L148-C152 WeakPolarHBondContact O-CA 3.24Å; L148-C152 WeakPolarHBondContact O-CB 3.41Å; L148-C152 PolarHBondContact O-N 2.86Å; C152-G154 PolarHBondContact O-N 3.11Å; C152-Q155 HydrophobicContact CB-CG 4.47Å; C152-Q155 VanDerWaalsContact O-CB 3.22Å; C152-Q155 WeakPolarHBondContact O-CB 3.43Å; C152-Q155 WeakPolarHBondContact O-CG 3.27Å; C152-Q155 PolarHBondContact O-N 2.98Å; C152-Y157 HydrophobicContact CB-CE2 4.5Å; C152-Y158 HydrophobicContact CB-CD2 4Å; C152-Y158 WeakPolarHBondContact O-CB 3.12Å
153R97.1Very high97.5Very high171 Ų17158 Ų5865%0.64528%0.282SS*.THydrogen-bonded Turntrans-50.2-31.5-175.361.4180-170.1174.82.5116.4R149 Q155 Y158R149-R153 WeakPolarHBondContact O-CB 3.45Å; R149-R153 WeakPolarHBondContact O-CD 3.47Å; R149-R153 WeakPolarHBondContact O-CG 3.22Å; R149-R153 PolarHBondContact O-N 3.42Å; R153-Q155 VanDerWaalsContact C-N 3.34Å; R153-Y158 HydrophobicContact CB-CD1 4.46Å; R153-Y158 HydrophobicContact CB-CE1 4.37Å
154G97.4Very high97.5Very high71 Ų7158.5 Ų58.573%0.73228%0.284SS*.THydrogen-bonded Turntrans-901.7-178.700000113.8C152C152-G154 PolarHBondContact O-N 3.11Å
155Q97.9Very high97.5Very high58 Ų5858.5 Ų58.527%0.27128%0.284SS..SBendtrans-92.1144.3-178.3-58.2-64.1-5200110.2K89 C152 R153 Y157 Y158K89-Q155 HydrophobicContact CD-CG 3.98Å; C152-Q155 HydrophobicContact CB-CG 4.47Å; C152-Q155 VanDerWaalsContact O-CB 3.22Å; C152-Q155 WeakPolarHBondContact O-CB 3.43Å; C152-Q155 WeakPolarHBondContact O-CG 3.27Å; C152-Q155 PolarHBondContact O-N 2.98Å; R153-Q155 VanDerWaalsContact C-N 3.34Å; Q155-Y157 HydrophobicContact CB-CD1 4.12Å; Q155-Y157 HydrophobicContact CB-CD2 3.96Å; Q155-Y157 HydrophobicContact CB-CE1 3.76Å; Q155-Y157 HydrophobicContact CB-CE2 3.59Å; Q155-Y157 HydrophobicContact CB-CG 4.22Å; Q155-Y157 VanDerWaalsContact CB-CZ 3.48Å; Q155-Y157 HydrophobicContact CG-CE1 4.2Å; Q155-Y157 HydrophobicContact CG-CE2 3.92Å; Q155-Y157 WeakPolarHBondContact CG-OH 3.47Å; Q155-Y157 PolarHBondContact O-N 2.67Å; Q155-Y157 PolarHBondContact OE1-OH 2.89Å; Q155-Y158 WeakPolarHBondContact O-CB 3.24Å; Q155-Y158 PolarHBondContact O-N 3.14Å; Q155-Y158 VanDerWaalsContact O-N 3.11Å
156P97.8Very high97.6Very high118 Ų11860.2 Ų60.277%0.76630%0.296SS*.THydrogen-bonded Turntrans-60.9-29.5-179.624.7-33.9000112.4Y158P156-Y158 VanDerWaalsContact C-N 3.35Å; P156-Y158 PolarHBondContact O-N 2.79Å
157Y98.2Very high97.7Very high17 Ų1761 Ų617%0.06730%0.304CS..THydrogen-bonded Turntrans-85.94.6-179.853-103.9000114.9K89 C152 Q155 V159 H160 L161 Y220 M221K89-Y157 VanDerWaalsContact CD-OH 3.3Å; K89-Y157 WeakPolarHBondContact CD-OH 3.46Å; C152-Y157 HydrophobicContact CB-CE2 4.5Å; Q155-Y157 HydrophobicContact CB-CD1 4.12Å; Q155-Y157 HydrophobicContact CB-CD2 3.96Å; Q155-Y157 HydrophobicContact CB-CE1 3.76Å; Q155-Y157 HydrophobicContact CB-CE2 3.59Å; Q155-Y157 HydrophobicContact CB-CG 4.22Å; Q155-Y157 VanDerWaalsContact CB-CZ 3.48Å; Q155-Y157 HydrophobicContact CG-CE1 4.2Å; Q155-Y157 HydrophobicContact CG-CE2 3.92Å; Q155-Y157 WeakPolarHBondContact CG-OH 3.47Å; Q155-Y157 PolarHBondContact O-N 2.67Å; Q155-Y157 PolarHBondContact OE1-OH 2.89Å; Y157-V159 PolarHBondContact O-N 3.5Å; Y157-H160 PolarHBondContact O-N 3.21Å; Y157-L161 HydrophobicContact CD2-CD1 3.63Å; Y157-L161 HydrophobicContact CD2-CG 4.07Å; Y157-L161 HydrophobicContact CE2-CD1 3.93Å; Y157-L161 WeakPolarHBondContact O-CG 3.45Å; Y157-L161 PolarHBondContact O-N 2.81Å; Y157-Y220 WeakPolarHBondContact CB-O 2.95Å; Y157-M221 HydrophobicContact CD2-CG 4Å; Y157-M221 HydrophobicContact CE1-CB 4.39Å; Y157-M221 HydrophobicContact CE1-CG 4.39Å; Y157-M221 HydrophobicContact CE2-CG 3.8Å; Y157-M221 HydrophobicContact CG-CG 4.37Å
158Y98.7Very high97.7Very high42 Ų4261 Ų6117%0.16530%0.304CS..Hα-helixtrans-58-48.3-175.6176.2-126000113.1L148 R149 C152 R153 Q155 P156 L161 L162L148-Y158 HydrophobicContact CB-CE2 4.26Å; R149-Y158 WeakPolarHBondContact CA-OH 3.21Å; R149-Y158 WeakPolarHBondContact CB-OH 3.3Å; C152-Y158 HydrophobicContact CB-CD2 4Å; C152-Y158 WeakPolarHBondContact O-CB 3.12Å; R153-Y158 HydrophobicContact CB-CD1 4.46Å; R153-Y158 HydrophobicContact CB-CE1 4.37Å; Q155-Y158 WeakPolarHBondContact O-CB 3.24Å; Q155-Y158 PolarHBondContact O-N 3.14Å; Q155-Y158 VanDerWaalsContact O-N 3.11Å; P156-Y158 VanDerWaalsContact C-N 3.35Å; P156-Y158 PolarHBondContact O-N 2.79Å; Y158-L161 PolarHBondContact O-N 2.95Å; Y158-L162 HydrophobicContact CD1-CD1 4.29Å; Y158-L162 HydrophobicContact CD2-CG 4.32Å; Y158-L162 HydrophobicContact CE1-CD1 3.68Å; Y158-L162 HydrophobicContact CE1-CG 4.42Å; Y158-L162 HydrophobicContact CE2-CD1 3.97Å; Y158-L162 HydrophobicContact CE2-CD2 3.97Å; Y158-L162 HydrophobicContact CE2-CG 3.85Å; Y158-L162 VanDerWaalsContact CZ-CD1 3.49Å; Y158-L162 PolarHBondContact O-N 3.29Å
159V98.6Very high97.7Very high81 Ų8161.3 Ų61.349%0.49131%0.306SS..Hα-helixtrans-65.5-41.5-179.5177.20000110.5Y157 L161 L162 E163Y157-V159 PolarHBondContact O-N 3.5Å; V159-L161 VanDerWaalsContact C-N 3.31Å; V159-L161 PolarHBondContact O-N 3.28Å; V159-L162 WeakPolarHBondContact O-CB 3.32Å; V159-L162 PolarHBondContact O-N 3.09Å; V159-L162 VanDerWaalsContact O-N 3.1Å; V159-E163 HydrophobicContact CG1-CG 4.28Å; V159-E163 WeakPolarHBondContact O-CG 3.32Å; V159-E163 PolarHBondContact O-N 3.35Å
160H98.8Very high97.9Very high60 Ų6059.5 Ų59.528%0.27830%0.302SS..Hα-helixtrans-58.9-41.3175-65.3-54.4000112.6Y157 L164 Y220Y157-H160 PolarHBondContact O-N 3.21Å; H160-L164 WeakPolarHBondContact O-CB 3.4Å; H160-L164 PolarHBondContact O-N 3.04Å; H160-Y220 HydrophobicContact CB-CD1 3.63Å; H160-Y220 HydrophobicContact CB-CD2 3.85Å; H160-Y220 HydrophobicContact CB-CE1 3.83Å; H160-Y220 HydrophobicContact CB-CE2 4.03Å; H160-Y220 HydrophobicContact CB-CG 3.66Å; H160-Y220 AromaticContact CD2-CD1 4Å; H160-Y220 AromaticContact CG-CD1 3.73Å; H160-Y220 AromaticContact CG-CE1 3.73Å; H160-Y220 AromaticContact ND1-CE1 3.87Å
161L98.8Very high98.2Very high0 Ų055.8 Ų55.80%029%0.289CS..Hα-helixtrans-64.2-44.5173.8-67.9-178.9000111.3V93 L148 Y157 Y158 V159 E163 L164 F165V93-L161 HydrophobicContact CG2-CD1 3.9Å; L148-L161 HydrophobicContact CD2-CD1 4.34Å; Y157-L161 HydrophobicContact CD2-CD1 3.63Å; Y157-L161 HydrophobicContact CD2-CG 4.07Å; Y157-L161 HydrophobicContact CE2-CD1 3.93Å; Y157-L161 WeakPolarHBondContact O-CG 3.45Å; Y157-L161 PolarHBondContact O-N 2.81Å; Y158-L161 PolarHBondContact O-N 2.95Å; V159-L161 VanDerWaalsContact C-N 3.31Å; V159-L161 PolarHBondContact O-N 3.28Å; L161-E163 PolarHBondContact O-N 2.81Å; L161-L164 PolarHBondContact O-N 2.92Å; L161-F165 WeakPolarHBondContact O-CB 3.35Å; L161-F165 WeakPolarHBondContact O-CD2 3.46Å; L161-F165 PolarHBondContact O-N 3.42Å
162L98.6Very high98.4Very high40 Ų4053.1 Ų53.121%0.20928%0.277CS..Hα-helixtrans-59.1-49.1177.4-70.7-179.5000112Y145 L148 Y158 V159 F165 N166Y145-L162 HydrophobicContact CD1-CD2 3.92Å; L148-L162 HydrophobicContact CD1-CD2 4.46Å; Y158-L162 HydrophobicContact CD1-CD1 4.29Å; Y158-L162 HydrophobicContact CD2-CG 4.32Å; Y158-L162 HydrophobicContact CE1-CD1 3.68Å; Y158-L162 HydrophobicContact CE1-CG 4.42Å; Y158-L162 HydrophobicContact CE2-CD1 3.97Å; Y158-L162 HydrophobicContact CE2-CD2 3.97Å; Y158-L162 HydrophobicContact CE2-CG 3.85Å; Y158-L162 VanDerWaalsContact CZ-CD1 3.49Å; Y158-L162 PolarHBondContact O-N 3.29Å; V159-L162 WeakPolarHBondContact O-CB 3.32Å; V159-L162 PolarHBondContact O-N 3.09Å; V159-L162 VanDerWaalsContact O-N 3.1Å; L162-F165 PolarHBondContact O-N 3.47Å; L162-N166 WeakPolarHBondContact O-CB 3.38Å; L162-N166 PolarHBondContact O-N 3.26Å; L162-N166 PolarHBondContact O-ND2 3.33Å
163E98.7Very high98.5Very high116 Ų11656.9 Ų56.954%0.54229%0.294SS..Hα-helixtrans-62.5-44.3178.9-70.5177.6164.600111.2V159 L161 F165 N166 E167V159-E163 HydrophobicContact CG1-CG 4.28Å; V159-E163 WeakPolarHBondContact O-CG 3.32Å; V159-E163 PolarHBondContact O-N 3.35Å; L161-E163 PolarHBondContact O-N 2.81Å; E163-F165 PolarHBondContact O-N 3.21Å; E163-N166 PolarHBondContact O-N 3.46Å; E163-E167 VanDerWaalsContact O-CB 3.24Å; E163-E167 WeakPolarHBondContact O-CB 3.48Å; E163-E167 PolarHBondContact O-N 2.73Å
164L98.8Very high98.5Very high14 Ų1452.3 Ų52.37%0.07328%0.282CS..Hα-helixtrans-62.8-43.9179.4-179.864.9000112.5H160 L161 T168 Y212 L213 A216 Y220H160-L164 WeakPolarHBondContact O-CB 3.4Å; H160-L164 PolarHBondContact O-N 3.04Å; L161-L164 PolarHBondContact O-N 2.92Å; L164-T168 WeakPolarHBondContact O-CB 3.5Å; L164-T168 PolarHBondContact O-N 2.71Å; L164-T168 PolarHBondContact O-OG1 3.48Å; L164-Y212 HydrophobicContact CD1-CD1 4.3Å; L164-Y212 HydrophobicContact CD1-CE1 3.8Å; L164-L213 HydrophobicContact CD1-CD1 4.48Å; L164-L213 HydrophobicContact CD2-CD1 3.8Å; L164-L213 HydrophobicContact CG-CD1 3.64Å; L164-A216 HydrophobicContact CD1-CB 4.14Å; L164-A216 HydrophobicContact CD2-CB 3.7Å; L164-Y220 HydrophobicContact CB-CE2 4.35Å; L164-Y220 HydrophobicContact CD2-CD2 4.05Å; L164-Y220 HydrophobicContact CD2-CE2 4.05Å
165F98.8Very high98.6Very high0 Ų048.9 Ų48.90%025%0.247CC..Hα-helixtrans-66.1-45.2177.1-88.4-103.9000111.4V93 C96 I97 L100 I144 Y145 L148 L161 L162 E163 T168 T169 L213V93-F165 HydrophobicContact CG1-CE2 4.32Å; V93-F165 HydrophobicContact CG1-CZ 4.36Å; C96-F165 HydrophobicContact CB-CE1 3.79Å; C96-F165 HydrophobicContact CB-CZ 3.75Å; I97-F165 HydrophobicContact CD1-CZ 4.45Å; I97-F165 HydrophobicContact CG1-CE1 3.95Å; I97-F165 HydrophobicContact CG1-CE2 4.48Å; I97-F165 HydrophobicContact CG1-CZ 3.57Å; L100-F165 HydrophobicContact CD2-CD1 4.25Å; I144-F165 HydrophobicContact CG2-CD1 3.8Å; I144-F165 HydrophobicContact CG2-CE1 3.83Å; Y145-F165 HydrophobicContact CE1-CB 4.19Å; L148-F165 HydrophobicContact CD1-CD2 4.16Å; L148-F165 HydrophobicContact CD1-CE2 4.25Å; L148-F165 HydrophobicContact CD1-CG 4.3Å; L161-F165 WeakPolarHBondContact O-CB 3.35Å; L161-F165 WeakPolarHBondContact O-CD2 3.46Å; L161-F165 PolarHBondContact O-N 3.42Å; L162-F165 PolarHBondContact O-N 3.47Å; E163-F165 PolarHBondContact O-N 3.21Å; F165-T168 PolarHBondContact O-N 3.44Å; F165-T169 WeakPolarHBondContact O-CB 3.41Å; F165-T169 PolarHBondContact O-N 2.92Å; F165-T169 PolarHBondContact O-OG1 3.28Å; F165-L213 HydrophobicContact CD2-CD1 3.92Å; F165-L213 HydrophobicContact CE2-CD1 4.04Å; F165-L213 HydrophobicContact CG-CD1 4.28Å; F165-L213 HydrophobicContact CZ-CD1 4.45Å
166N98.7Very high98.6Very high83 Ų8347.3 Ų47.344%0.44424%0.24SC..Hα-helixtrans-64-48.3178.7-78.2-66.6000111.8Y145 L162 E163 T168 T169 F170Y145-N166 PolarHBondContact OH-OD1 2.82Å; L162-N166 WeakPolarHBondContact O-CB 3.38Å; L162-N166 PolarHBondContact O-N 3.26Å; L162-N166 PolarHBondContact O-ND2 3.33Å; E163-N166 PolarHBondContact O-N 3.46Å; N166-T168 VanDerWaalsContact C-N 3.35Å; N166-T168 PolarHBondContact O-N 3Å; N166-T169 WeakPolarHBondContact O-CB 3.37Å; N166-T169 PolarHBondContact O-N 3.25Å; N166-F170 PolarHBondContact O-N 3.44Å
167E98.8Very high98.6Very high98 Ų9845.2 Ų45.246%0.45823%0.225SC..Hα-helixtrans-62.1-43.9179.1177.559.1-158.200111.1E163 T169 F170 Q171E163-E167 VanDerWaalsContact O-CB 3.24Å; E163-E167 WeakPolarHBondContact O-CB 3.48Å; E163-E167 PolarHBondContact O-N 2.73Å; E167-T169 VanDerWaalsContact C-N 3.28Å; E167-T169 PolarHBondContact O-N 3.12Å; E167-F170 PolarHBondContact O-N 3.39Å; E167-Q171 WeakPolarHBondContact O-CB 3.44Å; E167-Q171 WeakPolarHBondContact O-CG 3.26Å; E167-Q171 PolarHBondContact O-N 3Å; E167-Q171 PolarHBondContact OE1-NE2 2.85Å
168T98.7Very high98.5Very high1 Ų146.7 Ų46.71%0.00623%0.234CC..Hα-helixtrans-64.1-36.4177-60.20000111.7L164 F165 N166 T172 F208 Y209 L213L164-T168 WeakPolarHBondContact O-CB 3.5Å; L164-T168 PolarHBondContact O-N 2.71Å; L164-T168 PolarHBondContact O-OG1 3.48Å; F165-T168 PolarHBondContact O-N 3.44Å; N166-T168 VanDerWaalsContact C-N 3.35Å; N166-T168 PolarHBondContact O-N 3Å; T168-T172 WeakPolarHBondContact O-CB 3.42Å; T168-T172 PolarHBondContact O-N 3.43Å; T168-T172 PolarHBondContact O-OG1 3Å; T168-F208 HydrophobicContact CG2-CB 4.18Å; T168-Y209 VanDerWaalsContact CG2-CA 3.43Å; T168-Y209 VanDerWaalsContact CG2-CB 3.46Å; T168-L213 HydrophobicContact CG2-CB 4.04Å; T168-L213 HydrophobicContact CG2-CD2 3.92Å; T168-L213 HydrophobicContact CG2-CG 4.45Å
169T98.8Very high98.4Very high6 Ų645.2 Ų45.24%0.03723%0.229CC..Hα-helixtrans-63.8-52.1177.6-590000110.1L100 F103 F104 F165 N166 E167 Q171 T172 E173L100-T169 HydrophobicContact CD1-CG2 4.49Å; L100-T169 WeakPolarHBondContact CD1-OG1 3.28Å; F103-T169 HydrophobicContact CE1-CG2 4.28Å; F104-T169 HydrophobicContact CE1-CG2 4.45Å; F104-T169 HydrophobicContact CZ-CG2 4.01Å; F165-T169 WeakPolarHBondContact O-CB 3.41Å; F165-T169 PolarHBondContact O-N 2.92Å; F165-T169 PolarHBondContact O-OG1 3.28Å; N166-T169 WeakPolarHBondContact O-CB 3.37Å; N166-T169 PolarHBondContact O-N 3.25Å; E167-T169 VanDerWaalsContact C-N 3.28Å; E167-T169 PolarHBondContact O-N 3.12Å; T169-Q171 VanDerWaalsContact C-N 3.34Å; T169-Q171 PolarHBondContact O-N 2.94Å; T169-T172 WeakPolarHBondContact O-CB 3.37Å; T169-T172 PolarHBondContact O-N 3.43Å; T169-E173 WeakPolarHBondContact O-CG 3.2Å; T169-E173 PolarHBondContact O-N 2.97Å
170F98.8Very high98.1Very high113 Ų11344.2 Ų44.250%0.49622%0.22SC..Hα-helixtrans-58.1-44.3177.2-177-117.3000112.6N166 E167 T172 E173 L174N166-F170 PolarHBondContact O-N 3.44Å; E167-F170 PolarHBondContact O-N 3.39Å; F170-T172 VanDerWaalsContact C-N 3.3Å; F170-T172 PolarHBondContact O-N 2.9Å; F170-E173 PolarHBondContact O-N 3.3Å; F170-L174 HydrophobicContact CD1-CD1 4.04Å; F170-L174 HydrophobicContact CE1-CD1 3.59Å; F170-L174 HydrophobicContact CE1-CG 4.28Å; F170-L174 HydrophobicContact CE2-CD1 4.49Å; F170-L174 HydrophobicContact CE2-CD2 4.44Å; F170-L174 HydrophobicContact CE2-CG 4.32Å; F170-L174 HydrophobicContact CZ-CD1 3.85Å; F170-L174 HydrophobicContact CZ-CD2 4.24Å; F170-L174 HydrophobicContact CZ-CG 4.14Å; F170-L174 WeakPolarHBondContact O-CG 3.43Å; F170-L174 PolarHBondContact O-N 3.5Å
171Q98.8Very high97.9Very high22 Ų2245.5 Ų45.510%0.10323%0.228CC..Hα-helixtrans-58.9-42.1174.6-76171-6.400112.2E167 T169 L174 G175 Y204 F208E167-Q171 WeakPolarHBondContact O-CB 3.44Å; E167-Q171 WeakPolarHBondContact O-CG 3.26Å; E167-Q171 PolarHBondContact O-N 3Å; E167-Q171 PolarHBondContact OE1-NE2 2.85Å; T169-Q171 VanDerWaalsContact C-N 3.34Å; T169-Q171 PolarHBondContact O-N 2.94Å; Q171-L174 PolarHBondContact O-N 2.82Å; Q171-G175 PolarHBondContact O-N 3.15Å; Q171-Y204 HydrophobicContact CB-CD1 4.04Å; Q171-Y204 HydrophobicContact CG-CD1 4.21Å; Q171-Y204 HydrophobicContact CG-CE1 4.31Å; Q171-Y204 WeakPolarHBondContact O-CB 3.41Å; Q171-F208 HydrophobicContact CB-CD2 4.22Å
172T98.7Very high97.7Very high4 Ų445.5 Ų45.53%0.02523%0.228CC..Hα-helixtrans-67.7-41.4179.9-56.10000111.3F104 T168 T169 F170 G175 Q176 Y204 K205 Y209F104-T172 HydrophobicContact CD1-CG2 3.9Å; F104-T172 HydrophobicContact CD2-CG2 3.85Å; F104-T172 HydrophobicContact CE1-CG2 3.61Å; F104-T172 HydrophobicContact CE2-CG2 3.53Å; F104-T172 HydrophobicContact CG-CG2 4.04Å; F104-T172 VanDerWaalsContact CZ-CB 3.41Å; F104-T172 HydrophobicContact CZ-CG2 3.42Å; F104-T172 VanDerWaalsContact CZ-CG2 3.42Å; T168-T172 WeakPolarHBondContact O-CB 3.42Å; T168-T172 PolarHBondContact O-N 3.43Å; T168-T172 PolarHBondContact O-OG1 3Å; T169-T172 WeakPolarHBondContact O-CB 3.37Å; T169-T172 PolarHBondContact O-N 3.43Å; F170-T172 VanDerWaalsContact C-N 3.3Å; F170-T172 PolarHBondContact O-N 2.9Å; T172-G175 CarbonylContact O-C 3.59Å; T172-G175 WeakPolarHBondContact O-CA 3.36Å; T172-G175 PolarHBondContact O-N 2.99Å; T172-G175 VanDerWaalsContact O-N 3.15Å; T172-Q176 PolarHBondContact O-N 3.45Å; T172-Y204 WeakPolarHBondContact CA-O 3.45Å; T172-K205 WeakPolarHBondContact CG2-O 3.36Å; T172-Y209 HydrophobicContact CG2-CD1 3.96Å; T172-Y209 HydrophobicContact CG2-CE1 4.38Å
173E98.6Very high97.2Very high79 Ų7944.1 Ų44.137%0.36922%0.222SC..Hα-helixtrans-65.7-37.8175.8-68.2174.116000112.8F104 T169 F170 G175 Q176 T177F104-E173 HydrophobicContact CE1-CG 4.11Å; T169-E173 WeakPolarHBondContact O-CG 3.2Å; T169-E173 PolarHBondContact O-N 2.97Å; F170-E173 PolarHBondContact O-N 3.3Å; E173-G175 VanDerWaalsContact C-N 3.32Å; E173-Q176 PolarHBondContact O-N 2.94Å; E173-T177 WeakPolarHBondContact O-CB 3.31Å; E173-T177 PolarHBondContact O-N 2.85Å; E173-T177 PolarHBondContact O-OG1 2.89Å
174L98.6Very high96.6Very high75 Ų7540.4 Ų40.439%0.39321%0.208SC..Hα-helixtrans-62.7-41.3170.4-72.6178.1000111.2F170 Q171 T177 L178F170-L174 HydrophobicContact CD1-CD1 4.04Å; F170-L174 HydrophobicContact CE1-CD1 3.59Å; F170-L174 HydrophobicContact CE1-CG 4.28Å; F170-L174 HydrophobicContact CE2-CD1 4.49Å; F170-L174 HydrophobicContact CE2-CD2 4.44Å; F170-L174 HydrophobicContact CE2-CG 4.32Å; F170-L174 HydrophobicContact CZ-CD1 3.85Å; F170-L174 HydrophobicContact CZ-CD2 4.24Å; F170-L174 HydrophobicContact CZ-CG 4.14Å; F170-L174 WeakPolarHBondContact O-CG 3.43Å; F170-L174 PolarHBondContact O-N 3.5Å; Q171-L174 PolarHBondContact O-N 2.82Å; L174-T177 WeakPolarHBondContact O-CB 3.48Å; L174-T177 PolarHBondContact O-N 3.45Å; L174-L178 WeakPolarHBondContact O-CG 3.26Å; L174-L178 PolarHBondContact O-N 2.94Å
175G98.3Very high95.6Very high0 Ų046 Ų460%025%0.246CC..Hα-helixtrans-60.5-44.817300000112.8Q171 T172 E173 T177 L178 D179Q171-G175 PolarHBondContact O-N 3.15Å; T172-G175 CarbonylContact O-C 3.59Å; T172-G175 WeakPolarHBondContact O-CA 3.36Å; T172-G175 PolarHBondContact O-N 2.99Å; T172-G175 VanDerWaalsContact O-N 3.15Å; E173-G175 VanDerWaalsContact C-N 3.32Å; G175-T177 VanDerWaalsContact C-N 3.33Å; G175-T177 PolarHBondContact O-N 3.03Å; G175-L178 WeakPolarHBondContact O-CB 3.46Å; G175-L178 PolarHBondContact O-N 3.39Å; G175-D179 PolarHBondContact O-N 3.23Å
176Q97.5Very high94.6Very high25 Ų2550.3 Ų50.312%0.11729%0.29CS..Hα-helixtrans-63.4-40.2175.1-171.167.310.100111.5D108 M111 T172 E173 L178 D179 L180 K205D108-Q176 PolarHBondContact OD1-NE2 2.91Å; M111-Q176 HydrophobicContact CE-CG 3.77Å; M111-Q176 HydrophobicContact SD-CG 4.41Å; T172-Q176 PolarHBondContact O-N 3.45Å; E173-Q176 PolarHBondContact O-N 2.94Å; Q176-L178 VanDerWaalsContact C-N 3.33Å; Q176-L178 PolarHBondContact O-N 3.34Å; Q176-D179 WeakPolarHBondContact O-CB 3.23Å; Q176-D179 PolarHBondContact O-N 3.4Å; Q176-L180 HydrophobicContact CG-CD1 4.08Å; Q176-L180 HydrophobicContact CG-CG 4.46Å; Q176-L180 WeakPolarHBondContact O-CG 3.39Å; Q176-L180 PolarHBondContact O-N 2.96Å; Q176-K205 VanDerWaalsContact OE1-CD 3.27Å
177T97.9Very high94Very high74 Ų7451.7 Ų51.745%0.45429%0.293SS..Hα-helixtrans-59.3-47174.7-60.30000110.4E173 L174 G175 D179 L180 I181E173-T177 WeakPolarHBondContact O-CB 3.31Å; E173-T177 PolarHBondContact O-N 2.85Å; E173-T177 PolarHBondContact O-OG1 2.89Å; L174-T177 WeakPolarHBondContact O-CB 3.48Å; L174-T177 PolarHBondContact O-N 3.45Å; G175-T177 VanDerWaalsContact C-N 3.33Å; G175-T177 PolarHBondContact O-N 3.03Å; T177-D179 VanDerWaalsContact C-N 3.32Å; T177-D179 PolarHBondContact O-N 3.46Å; T177-L180 PolarHBondContact O-N 2.92Å; T177-I181 HydrophobicContact CG2-CG2 4.3Å; T177-I181 VanDerWaalsContact O-CG1 3.28Å; T177-I181 WeakPolarHBondContact O-CG1 3.35Å; T177-I181 WeakPolarHBondContact O-CG2 3.32Å; T177-I181 PolarHBondContact O-N 3.3Å
178L97.4Very high93.4Very high47 Ų4749.2 Ų49.225%0.24628%0.283CS..Hα-helixtrans-59.6-41.7176-71.6174.5000112.1L174 G175 Q176 I181 T182 A200 I201L174-L178 WeakPolarHBondContact O-CG 3.26Å; L174-L178 PolarHBondContact O-N 2.94Å; G175-L178 WeakPolarHBondContact O-CB 3.46Å; G175-L178 PolarHBondContact O-N 3.39Å; Q176-L178 VanDerWaalsContact C-N 3.33Å; Q176-L178 PolarHBondContact O-N 3.34Å; L178-I181 HydrophobicContact CD2-CD1 4.39Å; L178-T182 VanDerWaalsContact O-CB 3.23Å; L178-T182 WeakPolarHBondContact O-CB 3.46Å; L178-T182 PolarHBondContact O-N 3.1Å; L178-T182 VanDerWaalsContact O-N 3.16Å; L178-T182 PolarHBondContact O-OG1 2.84Å; L178-A200 HydrophobicContact CD1-CB 4.21Å; L178-I201 HydrophobicContact CB-CG1 3.73Å
179D95Very high92.9Very high12 Ų1251.3 Ų51.36%0.06429%0.294CS..Hα-helixtrans-57.9-56.3176.9-17354.4000111G175 Q176 T177 I181 T182 A183 I201 K205 K271G175-D179 PolarHBondContact O-N 3.23Å; Q176-D179 WeakPolarHBondContact O-CB 3.23Å; Q176-D179 PolarHBondContact O-N 3.4Å; T177-D179 VanDerWaalsContact C-N 3.32Å; T177-D179 PolarHBondContact O-N 3.46Å; D179-I181 PolarHBondContact O-N 3.03Å; D179-T182 PolarHBondContact O-N 2.93Å; D179-A183 PolarHBondContact O-N 3.21Å; D179-I201 HydrophobicContact CB-CG2 3.93Å; D179-K205 HydrophobicContact CB-CD 4.11Å; D179-K205 IonicContact OD2-NZ 2.7Å; D179-K205 PolarHBondContact OD2-NZ 3.01Å; D179-K271 IonicContact OD2-NZ 3.4Å; D179-K271 PolarHBondContact OD2-NZ 2.77Å
180L93.4Very high92.6Very high60 Ų6051.3 Ų51.331%0.31429%0.294SS..Hα-helixtrans-63.3-46.5-176-65169.8000112.7M111 Q176 T177 T182 A183M111-L180 HydrophobicContact CB-CD2 4.28Å; M111-L180 HydrophobicContact SD-CD1 3.62Å; Q176-L180 HydrophobicContact CG-CD1 4.08Å; Q176-L180 HydrophobicContact CG-CG 4.46Å; Q176-L180 WeakPolarHBondContact O-CG 3.39Å; Q176-L180 PolarHBondContact O-N 2.96Å; T177-L180 PolarHBondContact O-N 2.92Å; L180-T182 PolarHBondContact O-N 2.73Å; L180-A183 CarbonylContact O-C 3.45Å; L180-A183 PolarHBondContact O-N 3.32Å
181I94.8Very high92.4Very high86 Ų8651.2 Ų51.244%0.44130%0.298SS..Hα-helixtrans-72.1-18.2-178.773-178.9000112.5T177 L178 D179 R192T177-I181 HydrophobicContact CG2-CG2 4.3Å; T177-I181 VanDerWaalsContact O-CG1 3.28Å; T177-I181 WeakPolarHBondContact O-CG1 3.35Å; T177-I181 WeakPolarHBondContact O-CG2 3.32Å; T177-I181 PolarHBondContact O-N 3.3Å; L178-I181 HydrophobicContact CD2-CD1 4.39Å; D179-I181 PolarHBondContact O-N 3.03Å; I181-R192 PolarHBondContact O-NH1 2.7Å; I181-R192 PolarHBondContact O-NH2 2.84Å
182T94.4Very high92.2Very high1 Ų153.6 Ų53.61%0.00631%0.306CS..Hα-helixtrans-78.4-32.2175.3-59.60000111.3L178 D179 L180 P184 R192 F193 R197 I201 C272L178-T182 VanDerWaalsContact O-CB 3.23Å; L178-T182 WeakPolarHBondContact O-CB 3.46Å; L178-T182 PolarHBondContact O-N 3.1Å; L178-T182 VanDerWaalsContact O-N 3.16Å; L178-T182 PolarHBondContact O-OG1 2.84Å; D179-T182 PolarHBondContact O-N 2.93Å; L180-T182 PolarHBondContact O-N 2.73Å; T182-P184 VanDerWaalsContact O-CD 3.29Å; T182-P184 WeakPolarHBondContact O-CD 3.42Å; T182-R192 HydrophobicContact CG2-CB 4.36Å; T182-F193 HydrophobicContact CG2-CD1 3.95Å; T182-F193 HydrophobicContact CG2-CE1 3.99Å; T182-R197 HydrophobicContact CG2-CG 3.8Å; T182-R197 WeakPolarHBondContact OG1-CD 3.07Å; T182-R197 PolarHBondContact OG1-NH1 3.1Å; T182-I201 HydrophobicContact CG2-CD1 4.33Å; T182-C272 HydrophobicContact CG2-CB 3.64Å
183A87.4Confident92.1Very high10 Ų1053.7 Ų53.78%0.08331%0.307CS..SBendtrans-119.356.9-176.200000112.6D179 L180 N270D179-A183 PolarHBondContact O-N 3.21Å; L180-A183 CarbonylContact O-C 3.45Å; L180-A183 PolarHBondContact O-N 3.32Å; A183-N270 HydrophobicContact CB-CB 4.47Å; A183-N270 WeakPolarHBondContact CB-O 3Å
184P85.4Confident92Very high38 Ų3852.8 Ų52.825%0.24731%0.307CS..  trans-61.5137.2-17825.5-33.2000111.5T182 G186 H187T182-P184 VanDerWaalsContact O-CD 3.29Å; T182-P184 WeakPolarHBondContact O-CD 3.42Å; P184-G186 PolarHBondContact O-N 2.66Å; P184-H187 HydrophobicContact CG-CB 4.07Å; P184-H187 PolarHBondContact O-N 3.09Å
185P79Confident91.9Very high133 Ų13351.3 Ų51.386%0.86430%0.298SS*.THydrogen-bonded Turntrans-56.8130.3178.6-26.934.6000112.3H187P185-H187 PolarHBondContact O-N 3.19Å
186G78.4Confident91.9Very high89 Ų8959.2 Ų59.292%0.91834%0.335SS*.THydrogen-bonded Turntrans76.41.3175.900000115.7P184P184-G186 PolarHBondContact O-N 2.66Å
187H84.8Confident91.9Very high112 Ų11261.1 Ų61.152%0.51934%0.341SS..  trans-127110.2175.8-175.578000110.9P184 P185 N270P184-H187 HydrophobicContact CG-CB 4.07Å; P184-H187 PolarHBondContact O-N 3.09Å; P185-H187 PolarHBondContact O-N 3.19Å; H187-N270 PolarHBondContact O-ND2 2.94Å; H187-N270 VanDerWaalsContact O-ND2 3.08Å
188I85.9Confident91.9Very high46 Ų4657.8 Ų57.824%0.23632%0.32CS..  trans-95.2115.6-179.4-57.6160.5000108.1L190 Y295I188-L190 HydrophobicContact CG2-CD2 3.7Å; I188-L190 HydrophobicContact CG2-CG 3.96Å; I188-Y295 WeakPolarHBondContact CD1-O 3.28Å
189D89.4Confident91.9Very high45 Ų4559.5 Ų59.524%0.24133%0.326CS..  trans-128.884.6172.7-177.79.7000110.1N191 R192D189-N191 PolarHBondContact O-N 3.38Å; D189-N191 VanDerWaalsContact O-N 3.1Å; D189-N191 WeakPolarHBondContact OD1-CB 3.31Å; D189-N191 PolarHBondContact OD1-N 2.92Å; D189-N191 PolarHBondContact OD1-ND2 3.32Å; D189-N191 VanDerWaalsContact OD1-ND2 3.17Å; D189-R192 HydrophobicContact CB-CG 4.49Å; D189-R192 PolarHBondContact O-N 3.3Å; D189-R192 VanDerWaalsContact O-N 3.1Å; D189-R192 WeakPolarHBondContact OD2-CD 3.38Å; D189-R192 VanDerWaalsContact OD2-CG 3.24Å; D189-R192 WeakPolarHBondContact OD2-CG 3.46Å
190L92.7Very high92Very high7 Ų760.4 Ų60.44%0.03734%0.335CS..G310 helixtrans-63.5-15.6-179.2-57.6-170.8000112.8I188 R192 F193 L280 L291 E292I188-L190 HydrophobicContact CG2-CD2 3.7Å; I188-L190 HydrophobicContact CG2-CG 3.96Å; L190-R192 PolarHBondContact O-N 2.73Å; L190-F193 HydrophobicContact CD2-CD2 3.54Å; L190-F193 HydrophobicContact CD2-CE2 3.44Å; L190-F193 VanDerWaalsContact CD2-CE2 3.44Å; L190-F193 HydrophobicContact CD2-CZ 4.38Å; L190-F193 WeakPolarHBondContact O-CB 3.29Å; L190-F193 PolarHBondContact O-N 3.31Å; L190-F193 VanDerWaalsContact O-N 3.13Å; L190-L280 HydrophobicContact CB-CD1 4.22Å; L190-L280 HydrophobicContact CB-CD2 4.25Å; L190-L280 HydrophobicContact CD1-CD2 4.12Å; L190-L291 HydrophobicContact CD1-CB 4.44Å; L190-L291 HydrophobicContact CD1-CD2 3.75Å; L190-L291 HydrophobicContact CD1-CG 3.99Å; L190-E292 HydrophobicContact CD1-CB 4.39Å; L190-E292 HydrophobicContact CD1-CG 3.35Å; L190-E292 HydrophobicContact CG-CG 4.07Å
191N93.7Very high92.2Very high111 Ų11157.9 Ų57.959%0.59432%0.322SS*.G310 helixtrans-69.4-19.8176.8-55.6-52.4000112.3D189 F193 R288D189-N191 PolarHBondContact O-N 3.38Å; D189-N191 VanDerWaalsContact O-N 3.1Å; D189-N191 WeakPolarHBondContact OD1-CB 3.31Å; D189-N191 PolarHBondContact OD1-N 2.92Å; D189-N191 PolarHBondContact OD1-ND2 3.32Å; D189-N191 VanDerWaalsContact OD1-ND2 3.17Å; N191-F193 VanDerWaalsContact C-N 3.34Å; N191-R288 PolarHBondContact OD1-NH2 3.43Å
192R94.3Very high92.4Very high72 Ų7254 Ų5427%0.27230%0.302SS..G310 helixtrans-84.8-10.7174.9-64.6-179.971.3-165.2-8112.8I181 T182 D189 L190 T194I181-R192 PolarHBondContact O-NH1 2.7Å; I181-R192 PolarHBondContact O-NH2 2.84Å; T182-R192 HydrophobicContact CG2-CB 4.36Å; D189-R192 HydrophobicContact CB-CG 4.49Å; D189-R192 PolarHBondContact O-N 3.3Å; D189-R192 VanDerWaalsContact O-N 3.1Å; D189-R192 WeakPolarHBondContact OD2-CD 3.38Å; D189-R192 VanDerWaalsContact OD2-CG 3.24Å; D189-R192 WeakPolarHBondContact OD2-CG 3.46Å; L190-R192 PolarHBondContact O-N 2.73Å; R192-T194 PolarHBondContact O-N 2.89Å
193F96.6Very high92.5Very high6 Ų657.9 Ų57.93%0.02632%0.319CS..  trans-8568.2179.7-63.6-2.9000110.2T182 L190 N191 N270 C272 V276 V277 L280 Y295T182-F193 HydrophobicContact CG2-CD1 3.95Å; T182-F193 HydrophobicContact CG2-CE1 3.99Å; L190-F193 HydrophobicContact CD2-CD2 3.54Å; L190-F193 HydrophobicContact CD2-CE2 3.44Å; L190-F193 VanDerWaalsContact CD2-CE2 3.44Å; L190-F193 HydrophobicContact CD2-CZ 4.38Å; L190-F193 WeakPolarHBondContact O-CB 3.29Å; L190-F193 PolarHBondContact O-N 3.31Å; L190-F193 VanDerWaalsContact O-N 3.13Å; N191-F193 VanDerWaalsContact C-N 3.34Å; F193-N270 VanDerWaalsContact CZ-O 3.29Å; F193-N270 WeakPolarHBondContact CZ-O 3.28Å; F193-C272 HydrophobicContact CD1-CB 3.7Å; F193-C272 HydrophobicContact CE1-CB 3.89Å; F193-C272 HydrophobicContact CG-CB 4.32Å; F193-V276 HydrophobicContact CB-CG1 4.49Å; F193-V276 HydrophobicContact CD2-CB 4.34Å; F193-V276 HydrophobicContact CD2-CG1 3.57Å; F193-V276 HydrophobicContact CD2-CG2 3.79Å; F193-V276 HydrophobicContact CE2-CG1 4.06Å; F193-V276 HydrophobicContact CE2-CG2 4.25Å; F193-V276 HydrophobicContact CG-CG1 4.25Å; F193-V277 HydrophobicContact CB-CG2 4.09Å; F193-L280 HydrophobicContact CB-CD1 3.67Å; F193-L280 HydrophobicContact CD2-CD1 4.37Å; F193-Y295 HydrophobicContact CE2-CD1 4.03Å; F193-Y295 AromaticContact CE2-CE1 3.8Å; F193-Y295 HydrophobicContact CE2-CE1 3.8Å; F193-Y295 HydrophobicContact CZ-CE1 4.48Å
194T97.1Very high93.1Very high60 Ų6060.9 Ų60.937%0.36833%0.328SS..  trans-102.9154.9177.370.50000111R192 E196 R197 Y198R192-T194 PolarHBondContact O-N 2.89Å; T194-E196 PolarHBondContact O-N 3.42Å; T194-R197 PolarHBondContact O-N 2.79Å; T194-R197 VanDerWaalsContact O-N 3.17Å; T194-R197 PolarHBondContact OG1-N 3.09Å; T194-R197 VanDerWaalsContact OG1-N 3.17Å; T194-Y198 WeakPolarHBondContact O-CB 3.34Å; T194-Y198 PolarHBondContact O-N 3.09Å
195M96.7Very high93.6Very high44 Ų4460.8 Ų60.822%0.21732%0.324CS..Hα-helixtrans-60.4-33.4175.3-172.257.865.600112.1Y198 K199 V277M195-Y198 HydrophobicContact SD-CD1 3.9Å; M195-K199 HydrophobicContact CG-CD 4.23Å; M195-K199 HydrophobicContact CG-CG 4.37Å; M195-K199 WeakPolarHBondContact O-CB 3.28Å; M195-K199 VanDerWaalsContact O-CG 3.25Å; M195-K199 WeakPolarHBondContact O-CG 3.22Å; M195-K199 PolarHBondContact O-N 2.83Å; M195-K199 HydrophobicContact SD-CG 4.19Å; M195-V277 HydrophobicContact CB-CG1 4.08Å; M195-V277 HydrophobicContact CE-CG1 3.83Å; M195-V277 VanDerWaalsContact N-CG1 3.33Å
196E97.6Very high94.5Very high165 Ų16554.7 Ų54.777%0.77128%0.284SS*.Hα-helixtrans-61.8-49.1174.1-175.6-174.5172.600111.7T194 K199 A200T194-E196 PolarHBondContact O-N 3.42Å; E196-K199 PolarHBondContact O-N 2.99Å; E196-A200 PolarHBondContact O-N 3.45Å; E196-A200 VanDerWaalsContact O-N 3.08Å
197R97.4Very high95.4Very high66 Ų6650.4 Ų50.425%0.24924%0.241CC..Hα-helixtrans-62.4-46.1177.6175.756.163.771.18.4111.1T182 T194 A200 I201T182-R197 HydrophobicContact CG2-CG 3.8Å; T182-R197 WeakPolarHBondContact OG1-CD 3.07Å; T182-R197 PolarHBondContact OG1-NH1 3.1Å; T194-R197 PolarHBondContact O-N 2.79Å; T194-R197 VanDerWaalsContact O-N 3.17Å; T194-R197 PolarHBondContact OG1-N 3.09Å; T194-R197 VanDerWaalsContact OG1-N 3.17Å; R197-A200 PolarHBondContact O-N 2.81Å; R197-I201 HydrophobicContact CG-CD1 3.87Å; R197-I201 WeakPolarHBondContact O-CG1 3.49Å; R197-I201 PolarHBondContact O-N 2.89Å
198Y97.9Very high96Very high4 Ų445.5 Ų45.52%0.01622%0.218CC..Hα-helixtrans-56.7-52177.8177.4-106000111.7T194 M195 A200 I201 V202 I246 D249 C272 W274T194-Y198 WeakPolarHBondContact O-CB 3.34Å; T194-Y198 PolarHBondContact O-N 3.09Å; M195-Y198 HydrophobicContact SD-CD1 3.9Å; Y198-A200 VanDerWaalsContact C-N 3.27Å; Y198-A200 PolarHBondContact O-N 3.24Å; Y198-I201 PolarHBondContact O-N 3.23Å; Y198-I201 VanDerWaalsContact O-N 3.11Å; Y198-V202 HydrophobicContact CD1-CG2 4.25Å; Y198-V202 HydrophobicContact CD2-CG2 3.95Å; Y198-V202 HydrophobicContact CE1-CG2 3.76Å; Y198-V202 HydrophobicContact CE2-CG2 3.46Å; Y198-V202 VanDerWaalsContact CE2-CG2 3.46Å; Y198-V202 HydrophobicContact CG-CG2 4.33Å; Y198-V202 WeakPolarHBondContact O-CG2 3.12Å; Y198-V202 PolarHBondContact O-N 3.21Å; Y198-I246 HydrophobicContact CE1-CD1 4.05Å; Y198-I246 HydrophobicContact CE1-CG1 3.61Å; Y198-I246 WeakPolarHBondContact OH-CA 3.22Å; Y198-I246 WeakPolarHBondContact OH-CG1 3.36Å; Y198-I246 PolarHBondContact OH-N 3.46Å; Y198-D249 WeakPolarHBondContact CE2-OD2 3.24Å; Y198-D249 PolarHBondContact OH-OD2 3.43Å; Y198-C272 WeakPolarHBondContact CD2-O 3.45Å; Y198-W274 HydrophobicContact CE1-CB 3.97Å; Y198-W274 AromaticContact CE1-CD1 3.83Å; Y198-W274 HydrophobicContact CE1-CG 4.32Å; Y198-W274 HydrophobicContact CE2-CB 4.08Å
199K97.6Very high96.6Very high82 Ų8244.2 Ų44.236%0.35721%0.21SC..Hα-helixtrans-58.9-38.4178.7-75-175.6172.9-130.10112.7M195 E196 K203 E242M195-K199 HydrophobicContact CG-CD 4.23Å; M195-K199 HydrophobicContact CG-CG 4.37Å; M195-K199 WeakPolarHBondContact O-CB 3.28Å; M195-K199 VanDerWaalsContact O-CG 3.25Å; M195-K199 WeakPolarHBondContact O-CG 3.22Å; M195-K199 PolarHBondContact O-N 2.83Å; M195-K199 HydrophobicContact SD-CG 4.19Å; E196-K199 PolarHBondContact O-N 2.99Å; K199-K203 WeakPolarHBondContact O-CB 2.91Å; K199-K203 PolarHBondContact O-N 3.38Å; K199-E242 WeakPolarHBondContact CE-OE1 3.43Å; K199-E242 WeakPolarHBondContact CE-OE2 3.29Å; K199-E242 IonicContact NZ-OE1 2.85Å; K199-E242 PolarHBondContact NZ-OE1 3.23Å; K199-E242 IonicContact NZ-OE2 3.35Å; K199-E242 PolarHBondContact NZ-OE2 3.01Å; K199-E242 VanDerWaalsContact NZ-OE2 3.1Å
200A98.1Very high97Very high32 Ų3242.3 Ų42.326%0.26420%0.2SC..Hα-helixtrans-63.5-49.1174.300000111.7L178 E196 R197 Y198 V202 K203 Y204L178-A200 HydrophobicContact CD1-CB 4.21Å; E196-A200 PolarHBondContact O-N 3.45Å; E196-A200 VanDerWaalsContact O-N 3.08Å; R197-A200 PolarHBondContact O-N 2.81Å; Y198-A200 VanDerWaalsContact C-N 3.27Å; Y198-A200 PolarHBondContact O-N 3.24Å; A200-V202 PolarHBondContact O-N 3.48Å; A200-K203 PolarHBondContact O-N 3.27Å; A200-Y204 VanDerWaalsContact O-CD2 3.27Å; A200-Y204 WeakPolarHBondContact O-CD2 3.11Å; A200-Y204 PolarHBondContact O-N 3.45Å
201I97.8Very high97.2Very high7 Ų742.3 Ų42.34%0.03620%0.2CC..Hα-helixtrans-55-55176.7-68.4163.5000109.8L178 D179 T182 R197 Y198 K203 Y204 K205 C272L178-I201 HydrophobicContact CB-CG1 3.73Å; D179-I201 HydrophobicContact CB-CG2 3.93Å; T182-I201 HydrophobicContact CG2-CD1 4.33Å; R197-I201 HydrophobicContact CG-CD1 3.87Å; R197-I201 WeakPolarHBondContact O-CG1 3.49Å; R197-I201 PolarHBondContact O-N 2.89Å; Y198-I201 PolarHBondContact O-N 3.23Å; Y198-I201 VanDerWaalsContact O-N 3.11Å; I201-K203 PolarHBondContact O-N 3.31Å; I201-Y204 PolarHBondContact O-N 3.42Å; I201-K205 HydrophobicContact CG2-CB 4.35Å; I201-K205 HydrophobicContact CG2-CD 4.35Å; I201-K205 WeakPolarHBondContact O-CA 3.48Å; I201-K205 WeakPolarHBondContact O-CB 3.47Å; I201-K205 PolarHBondContact O-N 3.08Å; I201-C272 HydrophobicContact CD1-CB 4.25Å
202V97.4Very high97.4Very high3 Ų337.7 Ų37.72%0.01817%0.174CC..Hα-helixtrans-63.4-43.7-175.1172.40000113Y198 A200 Y204 T206 A207 E242 Q245Y198-V202 HydrophobicContact CD1-CG2 4.25Å; Y198-V202 HydrophobicContact CD2-CG2 3.95Å; Y198-V202 HydrophobicContact CE1-CG2 3.76Å; Y198-V202 HydrophobicContact CE2-CG2 3.46Å; Y198-V202 VanDerWaalsContact CE2-CG2 3.46Å; Y198-V202 HydrophobicContact CG-CG2 4.33Å; Y198-V202 WeakPolarHBondContact O-CG2 3.12Å; Y198-V202 PolarHBondContact O-N 3.21Å; A200-V202 PolarHBondContact O-N 3.48Å; V202-Y204 VanDerWaalsContact C-N 3.29Å; V202-Y204 PolarHBondContact O-N 3.07Å; V202-T206 WeakPolarHBondContact O-CB 3.25Å; V202-T206 PolarHBondContact O-N 3.4Å; V202-A207 PolarHBondContact O-N 3.21Å; V202-A207 VanDerWaalsContact O-N 3.07Å; V202-E242 HydrophobicContact CG1-CB 4.47Å; V202-Q245 HydrophobicContact CB-CB 4.26Å; V202-Q245 HydrophobicContact CB-CG 4.19Å; V202-Q245 HydrophobicContact CG1-CB 3.34Å; V202-Q245 HydrophobicContact CG1-CG 3.8Å; V202-Q245 HydrophobicContact CG2-CB 3.98Å; V202-Q245 HydrophobicContact CG2-CG 3.51Å
203K98.2Very high97.7Very high83 Ų8334.2 Ų34.236%0.36116%0.161SC..Iπ-helixtrans-55.4-48.3178.3178.2-174.5177.3-170.60110.7K199 A200 I201 A207 F208 L238K199-K203 WeakPolarHBondContact O-CB 2.91Å; K199-K203 PolarHBondContact O-N 3.38Å; A200-K203 PolarHBondContact O-N 3.27Å; I201-K203 PolarHBondContact O-N 3.31Å; K203-A207 WeakPolarHBondContact O-CB 3.06Å; K203-A207 PolarHBondContact O-N 3Å; K203-F208 HydrophobicContact CG-CE2 4.01Å; K203-F208 WeakPolarHBondContact O-CD2 3.18Å; K203-F208 PolarHBondContact O-N 3.39Å; K203-L238 HydrophobicContact CG-CD1 4.35Å
204Y98.5Very high97.7Very high74 Ų7434 Ų3429%0.2916%0.16SC..Iπ-helixtrans-83-49.5-174.6-75.5-72000112.5Q171 T172 A200 I201 V202 T206 F208Q171-Y204 HydrophobicContact CB-CD1 4.04Å; Q171-Y204 HydrophobicContact CG-CD1 4.21Å; Q171-Y204 HydrophobicContact CG-CE1 4.31Å; Q171-Y204 WeakPolarHBondContact O-CB 3.41Å; T172-Y204 WeakPolarHBondContact CA-O 3.45Å; A200-Y204 VanDerWaalsContact O-CD2 3.27Å; A200-Y204 WeakPolarHBondContact O-CD2 3.11Å; A200-Y204 PolarHBondContact O-N 3.45Å; I201-Y204 PolarHBondContact O-N 3.42Å; V202-Y204 VanDerWaalsContact C-N 3.29Å; V202-Y204 PolarHBondContact O-N 3.07Å; Y204-T206 VanDerWaalsContact C-N 3.35Å; Y204-T206 PolarHBondContact O-N 3.04Å; Y204-F208 HydrophobicContact CD1-CD2 4.06Å; Y204-F208 AromaticContact CD1-CE2 3.68Å; Y204-F208 HydrophobicContact CD1-CE2 3.68Å; Y204-F208 HydrophobicContact CE1-CD2 4.48Å; Y204-F208 AromaticContact CE1-CE2 3.69Å; Y204-F208 HydrophobicContact CE1-CE2 3.69Å; Y204-F208 HydrophobicContact CE1-CZ 4.41Å; Y204-F208 HydrophobicContact CG-CE2 4.45Å
205K97.4Very high97.8Very high35 Ų3531.1 Ų31.115%0.15214%0.143CC..Iπ-helixtrans-66.2-33.5-177.4-178.2173.9171.2158.10112.5D108 T172 Q176 D179 I201 Y209D108-K205 IonicContact OD1-NZ 3.1Å; D108-K205 PolarHBondContact OD1-NZ 3.48Å; T172-K205 WeakPolarHBondContact CG2-O 3.36Å; Q176-K205 VanDerWaalsContact OE1-CD 3.27Å; D179-K205 HydrophobicContact CB-CD 4.11Å; D179-K205 IonicContact OD2-NZ 2.7Å; D179-K205 PolarHBondContact OD2-NZ 3.01Å; I201-K205 HydrophobicContact CG2-CB 4.35Å; I201-K205 HydrophobicContact CG2-CD 4.35Å; I201-K205 WeakPolarHBondContact O-CA 3.48Å; I201-K205 WeakPolarHBondContact O-CB 3.47Å; I201-K205 PolarHBondContact O-N 3.08Å; K205-Y209 WeakPolarHBondContact O-CD1 3.35Å; K205-Y209 WeakPolarHBondContact O-CE1 3.5Å
206T96.4Very high97.9Very high5 Ų529 Ų293%0.03113%0.132CC..Iπ-helixtrans-123.2-50.3-168.6-59.90000113.4V202 Y204 F208 Y209 S210 F244 Q245V202-T206 WeakPolarHBondContact O-CB 3.25Å; V202-T206 PolarHBondContact O-N 3.4Å; Y204-T206 VanDerWaalsContact C-N 3.35Å; Y204-T206 PolarHBondContact O-N 3.04Å; T206-F208 PolarHBondContact O-N 3.43Å; T206-Y209 WeakPolarHBondContact O-CD1 3.42Å; T206-S210 WeakPolarHBondContact O-CB 3.31Å; T206-S210 PolarHBondContact O-N 3.34Å; T206-S210 VanDerWaalsContact O-N 3.08Å; T206-S210 PolarHBondContact O-OG 2.58Å; T206-F244 HydrophobicContact CG2-CD1 4.05Å; T206-F244 HydrophobicContact CG2-CE1 4.46Å; T206-Q245 HydrophobicContact CG2-CB 4.35Å; T206-Q245 PolarHBondContact OG1-OE1 3.26Å
207A97.9Very high97.9Very high0 Ų021.2 Ų21.20%010%0.096CC..Iπ-helixtrans-67.4-41.8-163.600000113.7V202 K203 F211 Y212 L238V202-A207 PolarHBondContact O-N 3.21Å; V202-A207 VanDerWaalsContact O-N 3.07Å; K203-A207 WeakPolarHBondContact O-CB 3.06Å; K203-A207 PolarHBondContact O-N 3Å; A207-F211 PolarHBondContact O-N 3.26Å; A207-Y212 PolarHBondContact O-N 3.11Å; A207-L238 HydrophobicContact CB-CD2 3.67Å
208F98.6Very high98Very high8 Ų818 Ų184%0.0358%0.084CC..Iπ-helixtrans-61.3-58-179.3-78.5-75.3000112.6T168 Q171 K203 Y204 T206 S210 Y212 L213 K234 L238T168-F208 HydrophobicContact CG2-CB 4.18Å; Q171-F208 HydrophobicContact CB-CD2 4.22Å; K203-F208 HydrophobicContact CG-CE2 4.01Å; K203-F208 WeakPolarHBondContact O-CD2 3.18Å; K203-F208 PolarHBondContact O-N 3.39Å; Y204-F208 HydrophobicContact CD1-CD2 4.06Å; Y204-F208 AromaticContact CD1-CE2 3.68Å; Y204-F208 HydrophobicContact CD1-CE2 3.68Å; Y204-F208 HydrophobicContact CE1-CD2 4.48Å; Y204-F208 AromaticContact CE1-CE2 3.69Å; Y204-F208 HydrophobicContact CE1-CE2 3.69Å; Y204-F208 HydrophobicContact CE1-CZ 4.41Å; Y204-F208 HydrophobicContact CG-CE2 4.45Å; T206-F208 PolarHBondContact O-N 3.43Å; F208-S210 VanDerWaalsContact C-N 3.34Å; F208-S210 PolarHBondContact O-N 2.9Å; F208-Y212 AromaticContact CD1-CD1 3.99Å; F208-Y212 HydrophobicContact CD1-CD1 3.99Å; F208-Y212 HydrophobicContact CD1-CG 4.44Å; F208-Y212 WeakPolarHBondContact O-CA 3.23Å; F208-Y212 WeakPolarHBondContact O-CB 3.48Å; F208-Y212 PolarHBondContact O-N 3.32Å; F208-Y212 VanDerWaalsContact O-N 3.12Å; F208-L213 PolarHBondContact O-N 2.75Å; F208-K234 HydrophobicContact CE1-CD 4.19Å; F208-K234 HydrophobicContact CE1-CG 4.43Å; F208-L238 HydrophobicContact CD1-CD2 3.85Å; F208-L238 HydrophobicContact CD2-CD2 4.13Å; F208-L238 HydrophobicContact CE1-CD1 4.05Å; F208-L238 HydrophobicContact CE1-CD2 3.94Å; F208-L238 HydrophobicContact CE2-CD1 4.41Å; F208-L238 HydrophobicContact CE2-CD2 4.21Å; F208-L238 HydrophobicContact CG-CD2 3.96Å; F208-L238 HydrophobicContact CZ-CD1 3.85Å; F208-L238 HydrophobicContact CZ-CD2 4.12Å
209Y98Very high98Very high20 Ų2017.9 Ų17.98%0.0788%0.083CC..Iπ-helixtrans-73.1-26.3-175.992-90000113.5R65 Q101 F104 T168 T172 K205 T206R65-Y209 PolarHBondContact NH2-OH 2.74Å; Q101-Y209 HydrophobicContact CB-CE2 4.01Å; Q101-Y209 HydrophobicContact CG-CE2 3.97Å; F104-Y209 HydrophobicContact CD2-CD2 4.48Å; F104-Y209 HydrophobicContact CE2-CG 4.46Å; T168-Y209 VanDerWaalsContact CG2-CA 3.43Å; T168-Y209 VanDerWaalsContact CG2-CB 3.46Å; T172-Y209 HydrophobicContact CG2-CD1 3.96Å; T172-Y209 HydrophobicContact CG2-CE1 4.38Å; K205-Y209 WeakPolarHBondContact O-CD1 3.35Å; K205-Y209 WeakPolarHBondContact O-CE1 3.5Å; T206-Y209 WeakPolarHBondContact O-CD1 3.42Å
210S97Very high98.1Very high4 Ų416 Ų163%0.0287%0.074CC..Iπ-helixtrans-87.1-30.4-175.2-55.60000114R65 T206 F208R65-S210 PolarHBondContact NE-OG 3.16Å; R65-S210 VanDerWaalsContact NE-OG 3.09Å; R65-S210 PolarHBondContact NH2-OG 2.98Å; T206-S210 WeakPolarHBondContact O-CB 3.31Å; T206-S210 PolarHBondContact O-N 3.34Å; T206-S210 VanDerWaalsContact O-N 3.08Å; T206-S210 PolarHBondContact O-OG 2.58Å; F208-S210 VanDerWaalsContact C-N 3.34Å; F208-S210 PolarHBondContact O-N 2.9Å
211F97.5Very high98.1Very high8 Ų815.3 Ų15.34%0.0357%0.066CC..Iπ-helixtrans-123.9-50.1-174.3-68.7-91.9000112.5A207 L237 M240 G241 F244 F349 I353A207-F211 PolarHBondContact O-N 3.26Å; F211-L237 HydrophobicContact CB-CB 4Å; F211-L237 HydrophobicContact CB-CD2 4.2Å; F211-L237 WeakPolarHBondContact CB-O 3.4Å; F211-M240 HydrophobicContact CD1-CB 3.71Å; F211-M240 HydrophobicContact CE1-CB 3.92Å; F211-M240 HydrophobicContact CG-CB 4.23Å; F211-G241 VanDerWaalsContact CD2-CA 3.42Å; F211-F244 HydrophobicContact CE2-CB 3.52Å; F211-F244 AromaticContact CE2-CD1 3.96Å; F211-F244 HydrophobicContact CE2-CD1 3.96Å; F211-F244 HydrophobicContact CE2-CD2 4.26Å; F211-F244 AromaticContact CE2-CG 3.65Å; F211-F244 HydrophobicContact CE2-CG 3.65Å; F211-F244 HydrophobicContact CZ-CB 3.43Å; F211-F244 VanDerWaalsContact CZ-CB 3.43Å; F211-F244 HydrophobicContact CZ-CD1 4.31Å; F211-F244 AromaticContact CZ-CD2 3.77Å; F211-F244 HydrophobicContact CZ-CD2 3.77Å; F211-F244 AromaticContact CZ-CG 3.58Å; F211-F244 HydrophobicContact CZ-CG 3.58Å; F211-F349 AromaticContact CD1-CD1 3.81Å; F211-F349 HydrophobicContact CD1-CD1 3.81Å; F211-F349 HydrophobicContact CD1-CE1 4.05Å; F211-F349 AromaticContact CE1-CD1 3.97Å; F211-F349 HydrophobicContact CE1-CD1 3.97Å; F211-F349 HydrophobicContact CE1-CE1 4.46Å; F211-I353 HydrophobicContact CE1-CD1 4.24Å; F211-I353 HydrophobicContact CE1-CG2 4.05Å; F211-I353 HydrophobicContact CZ-CG2 4.07Å
212Y98.5Very high98.1Very high13 Ų1316.1 Ų16.15%0.0517%0.073CC..Iπ-helixtrans-68.9-52.1-176.6-178.5-115.3000112.4L164 A207 F208 V215 A216 H230 K234 L237L164-Y212 HydrophobicContact CD1-CD1 4.3Å; L164-Y212 HydrophobicContact CD1-CE1 3.8Å; A207-Y212 PolarHBondContact O-N 3.11Å; F208-Y212 AromaticContact CD1-CD1 3.99Å; F208-Y212 HydrophobicContact CD1-CD1 3.99Å; F208-Y212 HydrophobicContact CD1-CG 4.44Å; F208-Y212 WeakPolarHBondContact O-CA 3.23Å; F208-Y212 WeakPolarHBondContact O-CB 3.48Å; F208-Y212 PolarHBondContact O-N 3.32Å; F208-Y212 VanDerWaalsContact O-N 3.12Å; Y212-V215 PolarHBondContact O-N 3.19Å; Y212-A216 HydrophobicContact CD1-CB 4.37Å; Y212-A216 HydrophobicContact CD2-CB 4.23Å; Y212-A216 HydrophobicContact CE1-CB 4.03Å; Y212-A216 HydrophobicContact CE2-CB 3.86Å; Y212-A216 HydrophobicContact CG-CB 4.47Å; Y212-A216 VanDerWaalsContact O-CB 3.26Å; Y212-A216 WeakPolarHBondContact O-CB 3.44Å; Y212-A216 PolarHBondContact O-N 3.47Å; Y212-H230 PolarHBondContact OH-ND1 3.49Å; Y212-K234 HydrophobicContact CD2-CB 3.89Å; Y212-K234 HydrophobicContact CD2-CG 4.15Å; Y212-K234 HydrophobicContact CE2-CB 3.69Å; Y212-K234 HydrophobicContact CE2-CG 4.18Å; Y212-K234 VanDerWaalsContact CZ-CE 3.46Å; Y212-K234 WeakPolarHBondContact OH-CE 3.21Å; Y212-L237 HydrophobicContact CD2-CD1 4.15Å
213L98.8Very high98.1Very high0 Ų018.8 Ų18.80%010%0.102CC..Hα-helixtrans-54.3-48.3-175.9170.167.5000113.6I97 L100 L164 F165 T168 F208 V215 S217I97-L213 HydrophobicContact CD1-CD2 4.36Å; I97-L213 HydrophobicContact CD1-CG 3.92Å; I97-L213 HydrophobicContact CG1-CD2 3.97Å; I97-L213 HydrophobicContact CG1-CG 4.04Å; I97-L213 HydrophobicContact CG2-CD2 4.12Å; L100-L213 HydrophobicContact CD2-CD2 3.58Å; L164-L213 HydrophobicContact CD1-CD1 4.48Å; L164-L213 HydrophobicContact CD2-CD1 3.8Å; L164-L213 HydrophobicContact CG-CD1 3.64Å; F165-L213 HydrophobicContact CD2-CD1 3.92Å; F165-L213 HydrophobicContact CE2-CD1 4.04Å; F165-L213 HydrophobicContact CG-CD1 4.28Å; F165-L213 HydrophobicContact CZ-CD1 4.45Å; T168-L213 HydrophobicContact CG2-CB 4.04Å; T168-L213 HydrophobicContact CG2-CD2 3.92Å; T168-L213 HydrophobicContact CG2-CG 4.45Å; F208-L213 PolarHBondContact O-N 2.75Å; L213-V215 PolarHBondContact O-N 3.44Å; L213-S217 VanDerWaalsContact O-CB 3.26Å; L213-S217 WeakPolarHBondContact O-CB 3.5Å; L213-S217 PolarHBondContact O-N 3.3Å; L213-S217 PolarHBondContact O-OG 2.93Å
214P98.4Very high98Very high0 Ų016.6 Ų16.60%09%0.094CC..Hα-helixtrans-59.1-44.6177.5-25.432.8000114.2R65 V69 I97 A218R65-P214 HydrophobicContact CB-CG 4.1Å; R65-P214 WeakPolarHBondContact O-CB 3.28Å; V69-P214 HydrophobicContact CG2-CB 4.08Å; I97-P214 HydrophobicContact CD1-CB 4.07Å; I97-P214 HydrophobicContact CD1-CG 4.01Å; I97-P214 HydrophobicContact CG2-CG 4.33Å; P214-A218 PolarHBondContact O-N 3.45Å
215V98.2Very high97.9Very high1 Ų118.2 Ų18.21%0.00611%0.107CC..Hα-helixtrans-74.9-44.6-176.6-179.20000110.6Y212 L213 S217 A218 M219 L237 I345 F349Y212-V215 PolarHBondContact O-N 3.19Å; L213-V215 PolarHBondContact O-N 3.44Å; V215-S217 VanDerWaalsContact C-N 3.28Å; V215-S217 PolarHBondContact O-N 3.12Å; V215-A218 PolarHBondContact O-N 3.49Å; V215-A218 VanDerWaalsContact O-N 3.12Å; V215-M219 HydrophobicContact CG1-CG 4.42Å; V215-M219 HydrophobicContact CG1-SD 4.05Å; V215-M219 VanDerWaalsContact O-CG 3.31Å; V215-M219 WeakPolarHBondContact O-CG 3.2Å; V215-M219 PolarHBondContact O-N 3.16Å; V215-L237 HydrophobicContact CB-CD1 3.6Å; V215-L237 HydrophobicContact CG1-CD1 3.92Å; V215-L237 HydrophobicContact CG2-CD1 3.84Å; V215-L237 HydrophobicContact CG2-CD2 3.9Å; V215-I345 HydrophobicContact CG1-CG2 3.93Å; V215-I345 HydrophobicContact CG2-CG2 4.27Å; V215-F349 HydrophobicContact CG2-CE2 3.6Å; V215-F349 HydrophobicContact CG2-CZ 3.71Å
216A98.6Very high97.8Very high0 Ų018.5 Ų18.50%011%0.114CC..Hα-helixtrans-62.2-36.317700000111.9L164 Y212 M219 Y220L164-A216 HydrophobicContact CD1-CB 4.14Å; L164-A216 HydrophobicContact CD2-CB 3.7Å; Y212-A216 HydrophobicContact CD1-CB 4.37Å; Y212-A216 HydrophobicContact CD2-CB 4.23Å; Y212-A216 HydrophobicContact CE1-CB 4.03Å; Y212-A216 HydrophobicContact CE2-CB 3.86Å; Y212-A216 HydrophobicContact CG-CB 4.47Å; Y212-A216 VanDerWaalsContact O-CB 3.26Å; Y212-A216 WeakPolarHBondContact O-CB 3.44Å; Y212-A216 PolarHBondContact O-N 3.47Å; A216-M219 PolarHBondContact O-N 2.92Å; A216-Y220 VanDerWaalsContact O-CD2 3.23Å; A216-Y220 WeakPolarHBondContact O-CD2 3.42Å; A216-Y220 PolarHBondContact O-N 3.23Å
217S98.8Very high97.8Very high0 Ų026.4 Ų26.40%015%0.15CC..Hα-helixtrans-60.6-46.8172.7-620000111.2L213 V215 M219 Y220 M221L213-S217 VanDerWaalsContact O-CB 3.26Å; L213-S217 WeakPolarHBondContact O-CB 3.5Å; L213-S217 PolarHBondContact O-N 3.3Å; L213-S217 PolarHBondContact O-OG 2.93Å; V215-S217 VanDerWaalsContact C-N 3.28Å; V215-S217 PolarHBondContact O-N 3.12Å; S217-M219 VanDerWaalsContact C-N 3.33Å; S217-M219 PolarHBondContact O-N 3.4Å; S217-Y220 PolarHBondContact O-N 2.83Å; S217-M221 WeakPolarHBondContact O-CB 3.36Å; S217-M221 WeakPolarHBondContact O-CG 3.49Å; S217-M221 PolarHBondContact O-N 3.4Å
218A98.4Very high97.7Very high0 Ų032.1 Ų32.10%018%0.177CC..Hα-helixtrans-65.2-34.9177.100000112.8V69 L73 L76 P214 V215 M221 A222V69-A218 HydrophobicContact CG1-CB 4.49Å; L73-A218 HydrophobicContact CB-CB 4.32Å; L76-A218 HydrophobicContact CD1-CB 4.11Å; P214-A218 PolarHBondContact O-N 3.45Å; V215-A218 PolarHBondContact O-N 3.49Å; V215-A218 VanDerWaalsContact O-N 3.12Å; A218-M221 PolarHBondContact O-N 2.52Å; A218-A222 WeakPolarHBondContact O-CB 3.07Å; A218-A222 PolarHBondContact O-N 3.13Å
219M98.4Very high97.5Very high1 Ų133.7 Ų33.71%0.00518%0.184CC..Hα-helixtrans-61.7-51.4174.7-70.8169.565.900111.5L76 V215 A216 S217 M221 A222 G223 I224 E229 A233 L341L76-M219 HydrophobicContact CD1-CG 3.96Å; V215-M219 HydrophobicContact CG1-CG 4.42Å; V215-M219 HydrophobicContact CG1-SD 4.05Å; V215-M219 VanDerWaalsContact O-CG 3.31Å; V215-M219 WeakPolarHBondContact O-CG 3.2Å; V215-M219 PolarHBondContact O-N 3.16Å; A216-M219 PolarHBondContact O-N 2.92Å; S217-M219 VanDerWaalsContact C-N 3.33Å; S217-M219 PolarHBondContact O-N 3.4Å; M219-M221 VanDerWaalsContact C-N 3.3Å; M219-M221 PolarHBondContact O-N 2.9Å; M219-A222 CarbonylContact O-C 3.56Å; M219-A222 WeakPolarHBondContact O-CA 3.4Å; M219-A222 WeakPolarHBondContact O-CB 3.14Å; M219-A222 PolarHBondContact O-N 2.86Å; M219-G223 PolarHBondContact O-N 3.39Å; M219-I224 CarbonylContact C-O 3.37Å; M219-I224 HydrophobicContact CB-CB 4.16Å; M219-I224 HydrophobicContact CB-CG2 4.48Å; M219-I224 HydrophobicContact CE-CG2 3.94Å; M219-I224 WeakPolarHBondContact O-CB 3.17Å; M219-I224 PolarHBondContact O-N 3.48Å; M219-E229 HydrophobicContact CE-CB 3.88Å; M219-A233 HydrophobicContact CE-CB 4.26Å; M219-A233 HydrophobicContact SD-CB 3.86Å; M219-L341 HydrophobicContact CE-CD1 3.92Å; M219-L341 HydrophobicContact CE-CD2 4.07Å; M219-L341 HydrophobicContact SD-CD1 4.25Å
220Y98.7Very high97.5Very high41 Ų4133.1 Ų33.116%0.16118%0.182CC..Hα-helixtrans-60.2-40.4175.3-72.8-54.1000112.2Y157 H160 L164 A216 S217 A222 G223 D225 H230Y157-Y220 WeakPolarHBondContact CB-O 2.95Å; H160-Y220 HydrophobicContact CB-CD1 3.63Å; H160-Y220 HydrophobicContact CB-CD2 3.85Å; H160-Y220 HydrophobicContact CB-CE1 3.83Å; H160-Y220 HydrophobicContact CB-CE2 4.03Å; H160-Y220 HydrophobicContact CB-CG 3.66Å; H160-Y220 AromaticContact CD2-CD1 4Å; H160-Y220 AromaticContact CG-CD1 3.73Å; H160-Y220 AromaticContact CG-CE1 3.73Å; H160-Y220 AromaticContact ND1-CE1 3.87Å; L164-Y220 HydrophobicContact CB-CE2 4.35Å; L164-Y220 HydrophobicContact CD2-CD2 4.05Å; L164-Y220 HydrophobicContact CD2-CE2 4.05Å; A216-Y220 VanDerWaalsContact O-CD2 3.23Å; A216-Y220 WeakPolarHBondContact O-CD2 3.42Å; A216-Y220 PolarHBondContact O-N 3.23Å; S217-Y220 PolarHBondContact O-N 2.83Å; Y220-A222 PolarHBondContact O-N 3.47Å; Y220-G223 PolarHBondContact O-N 3.34Å; Y220-D225 HydrophobicContact CD1-CB 4.19Å; Y220-D225 HydrophobicContact CE1-CB 4.14Å; Y220-H230 AromaticContact CD1-NE2 3.91Å; Y220-H230 AromaticContact CD2-CE1 3.76Å; Y220-H230 AromaticContact CE1-CE1 3.69Å; Y220-H230 AromaticContact CE1-NE2 3.66Å; Y220-H230 AromaticContact CE2-CE1 3.39Å; Y220-H230 WeakPolarHBondContact CE2-CE1 3.45Å; Y220-H230 AromaticContact CZ-CE1 3.33Å; Y220-H230 AromaticContact CZ-ND1 3.86Å; Y220-H230 AromaticContact CZ-NE2 3.79Å
221M98.4Very high97.4Very high19 Ų1935.3 Ų35.39%0.09420%0.197CC..Hα-helixtrans-64.2-28.3175.7-69.7178.670.600113.3V69 L73 K89 A90 V93 Y157 S217 A218 M219 G223V69-M221 HydrophobicContact CG1-SD 4.29Å; L73-M221 HydrophobicContact CD1-CB 4Å; L73-M221 HydrophobicContact CD2-CE 4.37Å; K89-M221 HydrophobicContact CB-CE 3.92Å; A90-M221 HydrophobicContact CB-CE 3.9Å; V93-M221 HydrophobicContact CB-SD 4.12Å; V93-M221 HydrophobicContact CG1-SD 4.28Å; V93-M221 HydrophobicContact CG2-CE 4.45Å; V93-M221 HydrophobicContact CG2-SD 3.88Å; Y157-M221 HydrophobicContact CD2-CG 4Å; Y157-M221 HydrophobicContact CE1-CB 4.39Å; Y157-M221 HydrophobicContact CE1-CG 4.39Å; Y157-M221 HydrophobicContact CE2-CG 3.8Å; Y157-M221 HydrophobicContact CG-CG 4.37Å; S217-M221 WeakPolarHBondContact O-CB 3.36Å; S217-M221 WeakPolarHBondContact O-CG 3.49Å; S217-M221 PolarHBondContact O-N 3.4Å; A218-M221 PolarHBondContact O-N 2.52Å; M219-M221 VanDerWaalsContact C-N 3.3Å; M219-M221 PolarHBondContact O-N 2.9Å; M221-G223 VanDerWaalsContact C-N 3.27Å
222A97.7Very high97.3Very high23 Ų2336.3 Ų36.319%0.1920%0.203CC..THydrogen-bonded Turntrans-83.80.9174.200000113.3L73 L76 L77 A218 M219 Y220 I224L73-A222 HydrophobicContact CD1-CB 4.16Å; L76-A222 HydrophobicContact CB-CB 3.86Å; L76-A222 HydrophobicContact CD1-CB 4.13Å; L77-A222 HydrophobicContact CD2-CB 3.73Å; L77-A222 HydrophobicContact CG-CB 3.99Å; A218-A222 WeakPolarHBondContact O-CB 3.07Å; A218-A222 PolarHBondContact O-N 3.13Å; M219-A222 CarbonylContact O-C 3.56Å; M219-A222 WeakPolarHBondContact O-CA 3.4Å; M219-A222 WeakPolarHBondContact O-CB 3.14Å; M219-A222 PolarHBondContact O-N 2.86Å; Y220-A222 PolarHBondContact O-N 3.47Å; A222-I224 HydrophobicContact CB-CD1 4.34Å; A222-I224 HydrophobicContact CB-CG1 4.45Å
223G97.2Very high97.2Very high60 Ų6035.7 Ų35.762%0.61920%0.201SC*.THydrogen-bonded Turntrans78.419.7-177.600000114.2M219 Y220 M221M219-G223 PolarHBondContact O-N 3.39Å; Y220-G223 PolarHBondContact O-N 3.34Å; M221-G223 VanDerWaalsContact C-N 3.27Å
224I97.4Very high97.1Very high37 Ų3739.1 Ų39.119%0.1922%0.216CC..  trans-96.4104.9173.6-56.3167.9000107L76 M219 A222 E229 H230 L341L76-I224 HydrophobicContact CD2-CD1 3.73Å; M219-I224 CarbonylContact C-O 3.37Å; M219-I224 HydrophobicContact CB-CB 4.16Å; M219-I224 HydrophobicContact CB-CG2 4.48Å; M219-I224 HydrophobicContact CE-CG2 3.94Å; M219-I224 WeakPolarHBondContact O-CB 3.17Å; M219-I224 PolarHBondContact O-N 3.48Å; A222-I224 HydrophobicContact CB-CD1 4.34Å; A222-I224 HydrophobicContact CB-CG1 4.45Å; I224-E229 HydrophobicContact CG2-CB 3.88Å; I224-E229 HydrophobicContact CG2-CG 4.15Å; I224-H230 PolarHBondContact O-NE2 2.86Å; I224-H230 VanDerWaalsContact O-NE2 3.1Å; I224-L341 HydrophobicContact CD1-CD2 4.11Å
225D96Very high96.9Very high108 Ų10843.9 Ų43.958%0.57824%0.238SC*.  trans-118.4-1.3-178.562.1-5.3000113.5Y220Y220-D225 HydrophobicContact CD1-CB 4.19Å; Y220-D225 HydrophobicContact CE1-CB 4.14Å
226S95.9Very high96.8Very high41 Ų4143.9 Ų43.929%0.28724%0.238SC..  trans-64.6133.5-179.51690000112.5E228 E229 H230S226-E228 VanDerWaalsContact C-N 3.26Å; S226-E228 PolarHBondContact O-N 3.4Å; S226-E228 PolarHBondContact OG-N 2.93Å; S226-E229 WeakPolarHBondContact CB-OE2 3.41Å; S226-E229 PolarHBondContact O-N 2.88Å; S226-E229 PolarHBondContact OG-OE2 2.93Å; S226-H230 PolarHBondContact O-CD2 3.4Å; S226-H230 VanDerWaalsContact O-CD2 3.32Å; S226-H230 PolarHBondContact O-N 3.43Å; S226-H230 VanDerWaalsContact O-N 3.16Å
227E95.1Very high96.7Very high170 Ų17043.9 Ų43.979%0.79424%0.238SC*.Hα-helixtrans-61.7-34.3179.2-172.2177.1-179.900112.1H230 S231E227-H230 PolarHBondContact O-N 2.79Å; E227-S231 WeakPolarHBondContact O-CB 3.39Å; E227-S231 PolarHBondContact O-N 2.96Å
228E95.1Very high96.6Very high121 Ų12145.1 Ų45.157%0.56524%0.244SC*.Hα-helixtrans-64.5-51.8-179.8-175.6-177.6166.200111.4S226 H230 S231 N232S226-E228 VanDerWaalsContact C-N 3.26Å; S226-E228 PolarHBondContact O-N 3.4Å; S226-E228 PolarHBondContact OG-N 2.93Å; E228-H230 VanDerWaalsContact C-N 3.34Å; E228-H230 PolarHBondContact O-N 2.57Å; E228-S231 PolarHBondContact O-N 3.41Å; E228-N232 WeakPolarHBondContact O-CB 3.08Å; E228-N232 PolarHBondContact O-N 3.09Å; E228-N232 PolarHBondContact O-ND2 3Å
229E95.6Very high96.4Very high41 Ų4147 Ų4719%0.19225%0.253CS..Hα-helixtrans-60.5-43.8177.4-74.791.414000111.2M219 I224 S226 S231 N232 A233 N340M219-E229 HydrophobicContact CE-CB 3.88Å; I224-E229 HydrophobicContact CG2-CB 3.88Å; I224-E229 HydrophobicContact CG2-CG 4.15Å; S226-E229 WeakPolarHBondContact CB-OE2 3.41Å; S226-E229 PolarHBondContact O-N 2.88Å; S226-E229 PolarHBondContact OG-OE2 2.93Å; E229-S231 VanDerWaalsContact C-N 3.35Å; E229-S231 PolarHBondContact O-N 2.87Å; E229-N232 PolarHBondContact O-N 3.44Å; E229-A233 WeakPolarHBondContact O-CB 3.18Å; E229-A233 PolarHBondContact O-N 3.46Å; E229-N340 HydrophobicContact CG-CB 4.06Å
230H97Very high96.3Very high8 Ų846.9 Ų46.94%0.03725%0.252CS..Hα-helixtrans-64.3-38.3176.8-86.5-102.6000112.3Y212 Y220 I224 S226 E227 E228 K234Y212-H230 PolarHBondContact OH-ND1 3.49Å; Y220-H230 AromaticContact CD1-NE2 3.91Å; Y220-H230 AromaticContact CD2-CE1 3.76Å; Y220-H230 AromaticContact CE1-CE1 3.69Å; Y220-H230 AromaticContact CE1-NE2 3.66Å; Y220-H230 AromaticContact CE2-CE1 3.39Å; Y220-H230 WeakPolarHBondContact CE2-CE1 3.45Å; Y220-H230 AromaticContact CZ-CE1 3.33Å; Y220-H230 AromaticContact CZ-ND1 3.86Å; Y220-H230 AromaticContact CZ-NE2 3.79Å; I224-H230 PolarHBondContact O-NE2 2.86Å; I224-H230 VanDerWaalsContact O-NE2 3.1Å; S226-H230 PolarHBondContact O-CD2 3.4Å; S226-H230 VanDerWaalsContact O-CD2 3.32Å; S226-H230 PolarHBondContact O-N 3.43Å; S226-H230 VanDerWaalsContact O-N 3.16Å; E227-H230 PolarHBondContact O-N 2.79Å; E228-H230 VanDerWaalsContact C-N 3.34Å; E228-H230 PolarHBondContact O-N 2.57Å; H230-K234 WeakPolarHBondContact O-CB 3.43Å; H230-K234 PolarHBondContact O-N 3.24Å
231S95.8Very high96.1Very high49 Ų4945 Ų4534%0.34325%0.245SC..Hα-helixtrans-66.4-44.3176.1-175.40000111.7E227 E228 E229 K234 H235E227-S231 WeakPolarHBondContact O-CB 3.39Å; E227-S231 PolarHBondContact O-N 2.96Å; E228-S231 PolarHBondContact O-N 3.41Å; E229-S231 VanDerWaalsContact C-N 3.35Å; E229-S231 PolarHBondContact O-N 2.87Å; S231-K234 WeakPolarHBondContact O-CB 3.1Å; S231-K234 PolarHBondContact O-N 2.98Å; S231-H235 PolarHBondContact O-N 2.88Å; S231-H235 PolarHBondContact O-ND1 2.81Å
232N94.8Very high96Very high29 Ų2945.1 Ų45.116%0.15525%0.245CC..Hα-helixtrans-62-45.8175.7-79.9-33.9000112.4E228 E229 K234 H235 I236 H337E228-N232 WeakPolarHBondContact O-CB 3.08Å; E228-N232 PolarHBondContact O-N 3.09Å; E228-N232 PolarHBondContact O-ND2 3Å; E229-N232 PolarHBondContact O-N 3.44Å; N232-K234 VanDerWaalsContact C-N 3.34Å; N232-K234 PolarHBondContact O-N 2.9Å; N232-H235 PolarHBondContact O-N 3.19Å; N232-I236 PolarHBondContact O-N 2.91Å; N232-H337 HydrophobicContact CB-CB 4.27Å; N232-H337 WeakPolarHBondContact CB-O 3.33Å; N232-H337 PolarHBondContact OD1-ND1 2.88Å; N232-H337 VanDerWaalsContact OD1-ND1 3.12Å
233A96.4Very high95.9Very high0 Ų044 Ų440%024%0.236CC..Hα-helixtrans-60.7-43.6173.800000111.4M219 E229 H235 I236 L237 L341 F346M219-A233 HydrophobicContact CE-CB 4.26Å; M219-A233 HydrophobicContact SD-CB 3.86Å; E229-A233 WeakPolarHBondContact O-CB 3.18Å; E229-A233 PolarHBondContact O-N 3.46Å; A233-H235 PolarHBondContact O-N 2.85Å; A233-I236 PolarHBondContact O-N 3.16Å; A233-L237 HydrophobicContact CB-CD1 4.14Å; A233-L237 WeakPolarHBondContact O-CB 3.48Å; A233-L237 WeakPolarHBondContact O-CD1 3.43Å; A233-L237 WeakPolarHBondContact O-CG 3.38Å; A233-L237 PolarHBondContact O-N 2.82Å; A233-L341 HydrophobicContact CB-CD1 3.88Å; A233-F346 HydrophobicContact CB-CE1 4.22Å; A233-F346 HydrophobicContact CB-CZ 4.05Å
234K96.2Very high95.7Very high72 Ų7242.3 Ų42.331%0.31321%0.212SC..Hα-helixtrans-59.1-44.1179-170.5-179.3-63.2175.80112.1F208 Y212 H230 S231 N232 I236 L237 L238F208-K234 HydrophobicContact CE1-CD 4.19Å; F208-K234 HydrophobicContact CE1-CG 4.43Å; Y212-K234 HydrophobicContact CD2-CB 3.89Å; Y212-K234 HydrophobicContact CD2-CG 4.15Å; Y212-K234 HydrophobicContact CE2-CB 3.69Å; Y212-K234 HydrophobicContact CE2-CG 4.18Å; Y212-K234 VanDerWaalsContact CZ-CE 3.46Å; Y212-K234 WeakPolarHBondContact OH-CE 3.21Å; H230-K234 WeakPolarHBondContact O-CB 3.43Å; H230-K234 PolarHBondContact O-N 3.24Å; S231-K234 WeakPolarHBondContact O-CB 3.1Å; S231-K234 PolarHBondContact O-N 2.98Å; N232-K234 VanDerWaalsContact C-N 3.34Å; N232-K234 PolarHBondContact O-N 2.9Å; K234-I236 VanDerWaalsContact C-N 3.3Å; K234-I236 PolarHBondContact O-N 3.32Å; K234-L237 PolarHBondContact O-N 2.69Å; K234-L238 HydrophobicContact CD-CD1 4.34Å; K234-L238 HydrophobicContact CG-CD1 3.69Å; K234-L238 HydrophobicContact CG-CG 3.96Å; K234-L238 WeakPolarHBondContact O-CB 3.29Å; K234-L238 VanDerWaalsContact O-CG 3.26Å; K234-L238 WeakPolarHBondContact O-CG 2.98Å; K234-L238 PolarHBondContact O-N 3.38Å
235H94.4Very high95.6Very high101 Ų10141.9 Ų41.947%0.46821%0.209SC..Hα-helixtrans-57.1-42.1177.1-73.2139.6000113S231 N232 A233S231-H235 PolarHBondContact O-N 2.88Å; S231-H235 PolarHBondContact O-ND1 2.81Å; N232-H235 PolarHBondContact O-N 3.19Å; A233-H235 PolarHBondContact O-N 2.85Å
236I95.9Very high95.6Very high0 Ų036.8 Ų36.80%018%0.182CC..Hα-helixtrans-71.4-49178.9-61.5164.4000110.4N232 A233 K234 L238 E239 M240 L333 I334 H337 A338 F346N232-I236 PolarHBondContact O-N 2.91Å; A233-I236 PolarHBondContact O-N 3.16Å; K234-I236 VanDerWaalsContact C-N 3.3Å; K234-I236 PolarHBondContact O-N 3.32Å; I236-L238 PolarHBondContact O-N 3.07Å; I236-E239 PolarHBondContact O-N 3.26Å; I236-M240 HydrophobicContact CG2-CE 3.66Å; I236-M240 HydrophobicContact CG2-SD 4.34Å; I236-M240 WeakPolarHBondContact O-CG 3.46Å; I236-M240 PolarHBondContact O-N 3.4Å; I236-M240 VanDerWaalsContact O-N 3.12Å; I236-L333 HydrophobicContact CG1-CB 4.4Å; I236-I334 HydrophobicContact CD1-CG1 4.44Å; I236-I334 HydrophobicContact CG2-CG1 3.75Å; I236-H337 HydrophobicContact CD1-CB 3.85Å; I236-H337 HydrophobicContact CG1-CB 4.03Å; I236-A338 HydrophobicContact CD1-CB 4.33Å; I236-F346 HydrophobicContact CB-CD1 4.06Å; I236-F346 HydrophobicContact CB-CE1 4.18Å; I236-F346 HydrophobicContact CD1-CD1 4.09Å; I236-F346 HydrophobicContact CD1-CD2 3.99Å; I236-F346 HydrophobicContact CD1-CE1 3.99Å; I236-F346 HydrophobicContact CD1-CE2 3.9Å; I236-F346 HydrophobicContact CD1-CG 4.08Å; I236-F346 HydrophobicContact CD1-CZ 3.9Å; I236-F346 HydrophobicContact CG2-CB 4.13Å; I236-F346 HydrophobicContact CG2-CD1 3.58Å; I236-F346 HydrophobicContact CG2-CE1 4.21Å; I236-F346 HydrophobicContact CG2-CG 3.96Å
237L96.9Very high95.6Very high0 Ų034.8 Ų34.80%017%0.168CC..Hα-helixtrans-71.8-30.3-169.9-67.9165.9000112.7F211 Y212 V215 A233 K234 M240 G241 F346F211-L237 HydrophobicContact CB-CB 4Å; F211-L237 HydrophobicContact CB-CD2 4.2Å; F211-L237 WeakPolarHBondContact CB-O 3.4Å; Y212-L237 HydrophobicContact CD2-CD1 4.15Å; V215-L237 HydrophobicContact CB-CD1 3.6Å; V215-L237 HydrophobicContact CG1-CD1 3.92Å; V215-L237 HydrophobicContact CG2-CD1 3.84Å; V215-L237 HydrophobicContact CG2-CD2 3.9Å; A233-L237 HydrophobicContact CB-CD1 4.14Å; A233-L237 WeakPolarHBondContact O-CB 3.48Å; A233-L237 WeakPolarHBondContact O-CD1 3.43Å; A233-L237 WeakPolarHBondContact O-CG 3.38Å; A233-L237 PolarHBondContact O-N 2.82Å; K234-L237 PolarHBondContact O-N 2.69Å; L237-M240 HydrophobicContact CD2-SD 4.18Å; L237-M240 PolarHBondContact O-N 3.34Å; L237-G241 PolarHBondContact O-N 3.17Å; L237-F346 HydrophobicContact CD1-CE1 4.11Å; L237-F346 HydrophobicContact CD2-CD1 4.03Å; L237-F346 HydrophobicContact CD2-CE1 4.17Å; L237-F346 HydrophobicContact CG-CD1 4.22Å; L237-F346 HydrophobicContact CG-CE1 3.95Å
238L96.6Very high95.5Very high26 Ų2628.7 Ų28.714%0.13614%0.141CC..Hα-helixtrans-71.1-37.7174.7-65.4-175.1000112.5K203 A207 F208 K234 I236 M240 G241 E242K203-L238 HydrophobicContact CG-CD1 4.35Å; A207-L238 HydrophobicContact CB-CD2 3.67Å; F208-L238 HydrophobicContact CD1-CD2 3.85Å; F208-L238 HydrophobicContact CD2-CD2 4.13Å; F208-L238 HydrophobicContact CE1-CD1 4.05Å; F208-L238 HydrophobicContact CE1-CD2 3.94Å; F208-L238 HydrophobicContact CE2-CD1 4.41Å; F208-L238 HydrophobicContact CE2-CD2 4.21Å; F208-L238 HydrophobicContact CG-CD2 3.96Å; F208-L238 HydrophobicContact CZ-CD1 3.85Å; F208-L238 HydrophobicContact CZ-CD2 4.12Å; K234-L238 HydrophobicContact CD-CD1 4.34Å; K234-L238 HydrophobicContact CG-CD1 3.69Å; K234-L238 HydrophobicContact CG-CG 3.96Å; K234-L238 WeakPolarHBondContact O-CB 3.29Å; K234-L238 VanDerWaalsContact O-CG 3.26Å; K234-L238 WeakPolarHBondContact O-CG 2.98Å; K234-L238 PolarHBondContact O-N 3.38Å; I236-L238 PolarHBondContact O-N 3.07Å; L238-M240 VanDerWaalsContact C-N 3.32Å; L238-G241 PolarHBondContact O-N 3.08Å; L238-E242 PolarHBondContact O-N 3.37Å
239E95.7Very high95.6Very high39 Ų3923.3 Ų23.318%0.18212%0.116CC..Hα-helixtrans-64.7-38.3172.5-174.377.9-177.600110.8I236 G241 E242 F243 R329 L330 L333I236-E239 PolarHBondContact O-N 3.26Å; E239-G241 VanDerWaalsContact C-N 3.29Å; E239-G241 PolarHBondContact O-N 3.28Å; E239-E242 PolarHBondContact O-N 3.37Å; E239-F243 PolarHBondContact O-N 3.17Å; E239-R329 IonicContact OE1-NE 3.95Å; E239-R329 PolarHBondContact OE1-NE 3.21Å; E239-R329 IonicContact OE1-NH2 3.34Å; E239-L330 HydrophobicContact CB-CD2 3.77Å; E239-L330 HydrophobicContact CG-CD2 3.56Å; E239-L330 HydrophobicContact CG-CG 4.22Å; E239-L333 HydrophobicContact CB-CD1 3.88Å; E239-L333 HydrophobicContact CG-CD1 3.78Å
240M95.3Very high95.6Very high0 Ų022.8 Ų22.80%011%0.112CC..Hα-helixtrans-61.9-39.6173.9-70.3-176.4176.300112F211 I236 L237 L238 F243 F244 L330 I334 F346 F349 A350 I353F211-M240 HydrophobicContact CD1-CB 3.71Å; F211-M240 HydrophobicContact CE1-CB 3.92Å; F211-M240 HydrophobicContact CG-CB 4.23Å; I236-M240 HydrophobicContact CG2-CE 3.66Å; I236-M240 HydrophobicContact CG2-SD 4.34Å; I236-M240 WeakPolarHBondContact O-CG 3.46Å; I236-M240 PolarHBondContact O-N 3.4Å; I236-M240 VanDerWaalsContact O-N 3.12Å; L237-M240 HydrophobicContact CD2-SD 4.18Å; L237-M240 PolarHBondContact O-N 3.34Å; L238-M240 VanDerWaalsContact C-N 3.32Å; M240-F243 PolarHBondContact O-N 3.45Å; M240-F244 WeakPolarHBondContact O-CB 3.33Å; M240-F244 PolarHBondContact O-N 3.27Å; M240-L330 HydrophobicContact CB-CD2 4.4Å; M240-L330 HydrophobicContact CE-CD2 4.35Å; M240-L330 HydrophobicContact CG-CD1 4.06Å; M240-L330 HydrophobicContact CG-CD2 3.51Å; M240-L330 HydrophobicContact CG-CG 4.42Å; M240-I334 HydrophobicContact CE-CD1 3.79Å; M240-I334 HydrophobicContact CE-CG1 4.33Å; M240-F346 HydrophobicContact CE-CB 3.98Å; M240-F346 WeakPolarHBondContact CE-O 3.39Å; M240-F349 HydrophobicContact SD-CB 3.91Å; M240-A350 HydrophobicContact CE-CB 4.03Å; M240-I353 HydrophobicContact CB-CD1 4.04Å; M240-I353 HydrophobicContact CG-CD1 4.22Å
241G95.6Very high95.5Very high0 Ų023.6 Ų23.60%012%0.117CC..Hα-helixtrans-65.6-40.3175.100000113.3F211 L237 L238 E239 F244 Q245F211-G241 VanDerWaalsContact CD2-CA 3.42Å; L237-G241 PolarHBondContact O-N 3.17Å; L238-G241 PolarHBondContact O-N 3.08Å; E239-G241 VanDerWaalsContact C-N 3.29Å; E239-G241 PolarHBondContact O-N 3.28Å; G241-F244 PolarHBondContact O-N 2.96Å; G241-Q245 PolarHBondContact O-N 3.13Å; G241-Q245 VanDerWaalsContact O-N 3.07Å
242E95.4Very high95.4Very high23 Ų2321.9 Ų21.911%0.10710%0.104CC..Hα-helixtrans-56.8-52.2172.3-175.1-178.7130.400110.5K199 V202 L238 E239 F244 Q245 I246 Y322K199-E242 WeakPolarHBondContact CE-OE1 3.43Å; K199-E242 WeakPolarHBondContact CE-OE2 3.29Å; K199-E242 IonicContact NZ-OE1 2.85Å; K199-E242 PolarHBondContact NZ-OE1 3.23Å; K199-E242 IonicContact NZ-OE2 3.35Å; K199-E242 PolarHBondContact NZ-OE2 3.01Å; K199-E242 VanDerWaalsContact NZ-OE2 3.1Å; V202-E242 HydrophobicContact CG1-CB 4.47Å; L238-E242 PolarHBondContact O-N 3.37Å; E239-E242 PolarHBondContact O-N 3.37Å; E242-F244 PolarHBondContact O-N 3.43Å; E242-Q245 PolarHBondContact O-N 2.57Å; E242-I246 HydrophobicContact CG-CD1 4.02Å; E242-I246 WeakPolarHBondContact O-CG1 3.35Å; E242-I246 PolarHBondContact O-N 2.9Å; E242-I246 VanDerWaalsContact O-N 3.14Å; E242-Y322 PolarHBondContact OE1-OH 2.9Å; E242-Y322 VanDerWaalsContact OE1-OH 3.09Å
243F95.1Very high95.4Very high0 Ų021 Ų210%010%0.1CC..Hα-helixtrans-58.2-48.7178.4175.9-136.2000111.7E239 M240 Q245 I246 Q247 Y322 E323 L330 I353E239-F243 PolarHBondContact O-N 3.17Å; M240-F243 PolarHBondContact O-N 3.45Å; F243-Q245 VanDerWaalsContact C-N 3.34Å; F243-Q245 PolarHBondContact O-N 3.45Å; F243-I246 PolarHBondContact O-N 3.11Å; F243-Q247 HydrophobicContact CD2-CG 4.03Å; F243-Q247 HydrophobicContact CE2-CG 3.6Å; F243-Q247 VanDerWaalsContact CZ-CD 3.43Å; F243-Q247 HydrophobicContact CZ-CG 3.94Å; F243-Q247 VanDerWaalsContact CZ-NE2 3.26Å; F243-Q247 WeakPolarHBondContact O-CG 3.46Å; F243-Q247 PolarHBondContact O-N 3.49Å; F243-Y322 HydrophobicContact CD2-CE1 4.21Å; F243-E323 HydrophobicContact CE2-CB 4.08Å; F243-E323 HydrophobicContact CE2-CG 3.88Å; F243-E323 HydrophobicContact CZ-CB 4.49Å; F243-E323 HydrophobicContact CZ-CG 3.8Å; F243-L330 HydrophobicContact CD1-CD1 3.97Å; F243-I353 HydrophobicContact CD1-CD1 3.71Å; F243-I353 HydrophobicContact CD1-CG1 4.02Å; F243-I353 HydrophobicContact CE1-CB 4.5Å; F243-I353 HydrophobicContact CE1-CD1 4.18Å; F243-I353 HydrophobicContact CE1-CG1 3.96Å
244F93.9Very high95.3Very high23 Ų2323.9 Ų23.910%0.10111%0.111CC..Hα-helixtrans-58.5-40.9-178.5176.8-91.9000113.6T206 F211 M240 G241 E242 Q247 D248 I353 R356T206-F244 HydrophobicContact CG2-CD1 4.05Å; T206-F244 HydrophobicContact CG2-CE1 4.46Å; F211-F244 HydrophobicContact CE2-CB 3.52Å; F211-F244 AromaticContact CE2-CD1 3.96Å; F211-F244 HydrophobicContact CE2-CD1 3.96Å; F211-F244 HydrophobicContact CE2-CD2 4.26Å; F211-F244 AromaticContact CE2-CG 3.65Å; F211-F244 HydrophobicContact CE2-CG 3.65Å; F211-F244 HydrophobicContact CZ-CB 3.43Å; F211-F244 VanDerWaalsContact CZ-CB 3.43Å; F211-F244 HydrophobicContact CZ-CD1 4.31Å; F211-F244 AromaticContact CZ-CD2 3.77Å; F211-F244 HydrophobicContact CZ-CD2 3.77Å; F211-F244 AromaticContact CZ-CG 3.58Å; F211-F244 HydrophobicContact CZ-CG 3.58Å; M240-F244 WeakPolarHBondContact O-CB 3.33Å; M240-F244 PolarHBondContact O-N 3.27Å; G241-F244 PolarHBondContact O-N 2.96Å; E242-F244 PolarHBondContact O-N 3.43Å; F244-Q247 WeakPolarHBondContact O-CB 3.43Å; F244-Q247 PolarHBondContact O-N 3.28Å; F244-D248 PolarHBondContact O-N 2.95Å; F244-I353 HydrophobicContact CD2-CG2 3.95Å; F244-R356 VanDerWaalsContact CE2-NH2 3.35Å
245Q95.6Very high95.1Very high29 Ų2921.4 Ų21.414%0.13611%0.106CC..Hα-helixtrans-71.3-38178.6-171.360.353.800111.6V202 T206 G241 E242 F243 Q247 D248 D249V202-Q245 HydrophobicContact CB-CB 4.26Å; V202-Q245 HydrophobicContact CB-CG 4.19Å; V202-Q245 HydrophobicContact CG1-CB 3.34Å; V202-Q245 HydrophobicContact CG1-CG 3.8Å; V202-Q245 HydrophobicContact CG2-CB 3.98Å; V202-Q245 HydrophobicContact CG2-CG 3.51Å; T206-Q245 HydrophobicContact CG2-CB 4.35Å; T206-Q245 PolarHBondContact OG1-OE1 3.26Å; G241-Q245 PolarHBondContact O-N 3.13Å; G241-Q245 VanDerWaalsContact O-N 3.07Å; E242-Q245 PolarHBondContact O-N 2.57Å; F243-Q245 VanDerWaalsContact C-N 3.34Å; F243-Q245 PolarHBondContact O-N 3.45Å; Q245-Q247 PolarHBondContact O-N 2.79Å; Q245-D248 WeakPolarHBondContact O-CA 3.23Å; Q245-D248 WeakPolarHBondContact O-CB 3.19Å; Q245-D248 PolarHBondContact O-N 2.97Å; Q245-D249 PolarHBondContact NE2-OD1 2.95Å; Q245-D249 PolarHBondContact O-N 3.46Å; Q245-D249 VanDerWaalsContact O-OD1 3.09Å
246I96.2Very high94.8Very high0 Ų021 Ų210%011%0.107CC..Hα-helixtrans-59.1-37.3173.3-68.8169.3000111.1Y198 E242 F243 Y250 W274 Y319 Y322Y198-I246 HydrophobicContact CE1-CD1 4.05Å; Y198-I246 HydrophobicContact CE1-CG1 3.61Å; Y198-I246 WeakPolarHBondContact OH-CA 3.22Å; Y198-I246 WeakPolarHBondContact OH-CG1 3.36Å; Y198-I246 PolarHBondContact OH-N 3.46Å; E242-I246 HydrophobicContact CG-CD1 4.02Å; E242-I246 WeakPolarHBondContact O-CG1 3.35Å; E242-I246 PolarHBondContact O-N 2.9Å; E242-I246 VanDerWaalsContact O-N 3.14Å; F243-I246 PolarHBondContact O-N 3.11Å; I246-Y250 WeakPolarHBondContact O-CB 3.37Å; I246-Y250 PolarHBondContact O-N 3.34Å; I246-W274 HydrophobicContact CB-CB 4.48Å; I246-W274 HydrophobicContact CB-CG 4.25Å; I246-W274 HydrophobicContact CD1-CG 4.33Å; I246-W274 HydrophobicContact CG1-CB 4.08Å; I246-W274 HydrophobicContact CG1-CG 3.82Å; I246-W274 HydrophobicContact CG2-CB 4.25Å; I246-W274 HydrophobicContact CG2-CD2 3.68Å; I246-W274 HydrophobicContact CG2-CE3 4.2Å; I246-W274 HydrophobicContact CG2-CG 3.68Å; I246-Y319 HydrophobicContact CG2-CD2 4.17Å; I246-Y319 HydrophobicContact CG2-CE2 4.2Å; I246-Y322 HydrophobicContact CB-CE1 4.25Å; I246-Y322 HydrophobicContact CD1-CD1 4.29Å; I246-Y322 HydrophobicContact CD1-CE1 3.35Å; I246-Y322 HydrophobicContact CD1-CE2 4.17Å; I246-Y322 WeakPolarHBondContact CD1-OH 3.35Å; I246-Y322 HydrophobicContact CG1-CE1 4.38Å; I246-Y322 HydrophobicContact CG2-CD1 3.97Å; I246-Y322 HydrophobicContact CG2-CE1 3.93Å
247Q94.5Very high94.3Very high0 Ų024 Ų240%013%0.127CC..Hα-helixtrans-66.2-39.2171.8-56.3-176.6-66.500112.1F243 F244 Q245 Y250 L251 Y319 E323 I353F243-Q247 HydrophobicContact CD2-CG 4.03Å; F243-Q247 HydrophobicContact CE2-CG 3.6Å; F243-Q247 VanDerWaalsContact CZ-CD 3.43Å; F243-Q247 HydrophobicContact CZ-CG 3.94Å; F243-Q247 VanDerWaalsContact CZ-NE2 3.26Å; F243-Q247 WeakPolarHBondContact O-CG 3.46Å; F243-Q247 PolarHBondContact O-N 3.49Å; F244-Q247 WeakPolarHBondContact O-CB 3.43Å; F244-Q247 PolarHBondContact O-N 3.28Å; Q245-Q247 PolarHBondContact O-N 2.79Å; Q247-Y250 PolarHBondContact O-N 3.24Å; Q247-L251 WeakPolarHBondContact O-CB 3.4Å; Q247-L251 WeakPolarHBondContact O-CG 3.27Å; Q247-L251 PolarHBondContact O-N 3.44Å; Q247-Y319 HydrophobicContact CG-CE2 4.29Å; Q247-Y319 VanDerWaalsContact CG-OH 3.28Å; Q247-Y319 WeakPolarHBondContact CG-OH 3.49Å; Q247-E323 PolarHBondContact NE2-OE1 3.08Å; Q247-E323 VanDerWaalsContact NE2-OE1 3.15Å; Q247-I353 PolarHBondContact NE2-O 3.45Å; Q247-I353 PolarHBondContact OE1-O 2.91Å; Q247-I353 VanDerWaalsContact OE1-O 3.09Å
248D93.3Very high93.7Very high41 Ų4128 Ų2822%0.21916%0.16CC..Hα-helixtrans-62.3-48.8177.3-155.277.5000111.2F244 Q245 Y250 L251 D252 K262 R356F244-D248 PolarHBondContact O-N 2.95Å; Q245-D248 WeakPolarHBondContact O-CA 3.23Å; Q245-D248 WeakPolarHBondContact O-CB 3.19Å; Q245-D248 PolarHBondContact O-N 2.97Å; D248-Y250 VanDerWaalsContact C-N 3.32Å; D248-Y250 PolarHBondContact O-N 3.44Å; D248-L251 CarbonylContact O-C 3.59Å; D248-L251 PolarHBondContact O-N 3.05Å; D248-L251 VanDerWaalsContact O-N 3.15Å; D248-D252 WeakPolarHBondContact O-CB 3.12Å; D248-D252 PolarHBondContact O-N 3.33Å; D248-K262 IonicContact OD2-NZ 3.32Å; D248-K262 PolarHBondContact OD2-NZ 3.3Å; D248-K262 VanDerWaalsContact OD2-NZ 3.16Å; D248-R356 IonicContact OD1-NH2 3.83Å
249D96.5Very high93.1Very high8 Ų829.6 Ų29.64%0.04317%0.171CC..Hα-helixtrans-60.5-40.1177.2-67.820.5000112.1Y198 Q245 D252 C253 S273 W274Y198-D249 WeakPolarHBondContact CE2-OD2 3.24Å; Y198-D249 PolarHBondContact OH-OD2 3.43Å; Q245-D249 PolarHBondContact NE2-OD1 2.95Å; Q245-D249 PolarHBondContact O-N 3.46Å; Q245-D249 VanDerWaalsContact O-OD1 3.09Å; D249-D252 PolarHBondContact O-N 3.49Å; D249-C253 PolarHBondContact O-N 3.48Å; D249-S273 WeakPolarHBondContact OD2-CA 3.21Å; D249-S273 WeakPolarHBondContact OD2-CB 3.17Å; D249-W274 HydrophobicContact CB-CB 4.27Å; D249-W274 PolarHBondContact OD2-N 2.93Å
250Y96.8Very high92.5Very high30 Ų3029.2 Ų29.212%0.11817%0.171CC..Hα-helixtrans-63.6-46.9174.3176.9-101.2000111.5I246 Q247 D248 D252 C253 Y254 L275 P316 Y319I246-Y250 WeakPolarHBondContact O-CB 3.37Å; I246-Y250 PolarHBondContact O-N 3.34Å; Q247-Y250 PolarHBondContact O-N 3.24Å; D248-Y250 VanDerWaalsContact C-N 3.32Å; D248-Y250 PolarHBondContact O-N 3.44Å; Y250-D252 VanDerWaalsContact C-N 3.28Å; Y250-D252 PolarHBondContact O-N 3.43Å; Y250-C253 PolarHBondContact O-N 3.24Å; Y250-Y254 AromaticContact CD2-CD2 3.72Å; Y250-Y254 HydrophobicContact CD2-CD2 3.72Å; Y250-Y254 HydrophobicContact CD2-CE2 4.36Å; Y250-Y254 AromaticContact CE2-CD2 3.44Å; Y250-Y254 HydrophobicContact CE2-CD2 3.44Å; Y250-Y254 VanDerWaalsContact CE2-CD2 3.44Å; Y250-Y254 HydrophobicContact CE2-CE2 4.05Å; Y250-Y254 AromaticContact CE2-CG 3.95Å; Y250-Y254 HydrophobicContact CE2-CG 3.95Å; Y250-Y254 WeakPolarHBondContact O-CB 3.26Å; Y250-Y254 PolarHBondContact O-N 3.36Å; Y250-L275 HydrophobicContact CD2-CD2 4.36Å; Y250-P316 HydrophobicContact CE2-CB 4.28Å; Y250-P316 HydrophobicContact CE2-CG 4.46Å; Y250-Y319 AromaticContact CD1-CD1 3.74Å; Y250-Y319 HydrophobicContact CD1-CD1 3.74Å; Y250-Y319 HydrophobicContact CD1-CD2 4.26Å; Y250-Y319 AromaticContact CD1-CE1 3.54Å; Y250-Y319 HydrophobicContact CD1-CE1 3.54Å; Y250-Y319 HydrophobicContact CD1-CE2 4.07Å; Y250-Y319 HydrophobicContact CD1-CG 4.1Å; Y250-Y319 AromaticContact CD1-CZ 3.7Å; Y250-Y319 AromaticContact CD2-CD1 3.84Å; Y250-Y319 HydrophobicContact CD2-CD1 3.84Å; Y250-Y319 AromaticContact CD2-CD2 3.89Å; Y250-Y319 HydrophobicContact CD2-CD2 3.89Å; Y250-Y319 HydrophobicContact CD2-CE1 4.45Å; Y250-Y319 HydrophobicContact CD2-CE2 4.47Å; Y250-Y319 AromaticContact CD2-CG 3.53Å; Y250-Y319 HydrophobicContact CD2-CG 3.53Å; Y250-Y319 AromaticContact CE1-CD1 3.75Å; Y250-Y319 HydrophobicContact CE1-CD1 3.75Å; Y250-Y319 AromaticContact CE1-CE1 3.72Å; Y250-Y319 HydrophobicContact CE1-CE1 3.72Å; Y250-Y319 HydrophobicContact CE1-CG 4.42Å; Y250-Y319 AromaticContact CE2-CD1 3.88Å; Y250-Y319 HydrophobicContact CE2-CD1 3.88Å; Y250-Y319 AromaticContact CE2-CG 3.92Å; Y250-Y319 HydrophobicContact CE2-CG 3.92Å; Y250-Y319 AromaticContact CG-CD1 3.77Å; Y250-Y319 HydrophobicContact CG-CD1 3.77Å; Y250-Y319 AromaticContact CG-CD2 3.64Å; Y250-Y319 HydrophobicContact CG-CD2 3.64Å; Y250-Y319 AromaticContact CG-CE1 3.92Å; Y250-Y319 HydrophobicContact CG-CE1 3.92Å; Y250-Y319 AromaticContact CG-CE2 3.78Å; Y250-Y319 HydrophobicContact CG-CE2 3.78Å; Y250-Y319 AromaticContact CG-CG 3.63Å; Y250-Y319 HydrophobicContact CG-CG 3.63Å; Y250-Y319 AromaticContact CG-CZ 3.91Å; Y250-Y319 AromaticContact CZ-CD1 3.82Å
251L94.2Very high91.8Very high26 Ų2630 Ų3014%0.13618%0.179CC..Hα-helixtrans-69.7-23.9178.5-69.9173.5000112.6Q247 D248 G255 T260Q247-L251 WeakPolarHBondContact O-CB 3.4Å; Q247-L251 WeakPolarHBondContact O-CG 3.27Å; Q247-L251 PolarHBondContact O-N 3.44Å; D248-L251 CarbonylContact O-C 3.59Å; D248-L251 PolarHBondContact O-N 3.05Å; D248-L251 VanDerWaalsContact O-N 3.15Å; L251-G255 WeakPolarHBondContact O-CA 3.2Å; L251-G255 PolarHBondContact O-N 3.26Å; L251-T260 HydrophobicContact CB-CG2 4.34Å
252D94Very high91.1Very high12 Ų1232 Ų326%0.06419%0.188CC..Hα-helixtrans-63.6-44.2173.2-158.479.6000110.5D248 D249 Y250 K262 G264 T265 D266D248-D252 WeakPolarHBondContact O-CB 3.12Å; D248-D252 PolarHBondContact O-N 3.33Å; D249-D252 PolarHBondContact O-N 3.49Å; Y250-D252 VanDerWaalsContact C-N 3.28Å; Y250-D252 PolarHBondContact O-N 3.43Å; D252-K262 IonicContact OD1-NZ 3.56Å; D252-K262 PolarHBondContact OD1-NZ 3Å; D252-G264 WeakPolarHBondContact O-CA 3.12Å; D252-G264 WeakPolarHBondContact OD1-CA 3.28Å; D252-G264 VanDerWaalsContact OD2-C 3.26Å; D252-G264 WeakPolarHBondContact OD2-CA 3.37Å; D252-T265 PolarHBondContact OD2-N 2.85Å; D252-D266 WeakPolarHBondContact OD2-CB 3.48Å; D252-D266 PolarHBondContact OD2-N 2.87Å
253C95.3Very high90.7Very high11 Ų1136.1 Ų36.17%0.07421%0.209CC..Hα-helixtrans-80.9-41.9179.1-178.20000113.8D249 Y250 L275 K307D249-C253 PolarHBondContact O-N 3.48Å; Y250-C253 PolarHBondContact O-N 3.24Å; C253-L275 HydrophobicContact CB-CD1 3.27Å; C253-K307 PolarHBondContact O-NZ 3.08Å
254Y94.8Very high90.2Very high61 Ų6137 Ų3724%0.23922%0.218CC..Hα-helixtrans-114.1-10.4-167.6-70.3-76000115.1Y250 L275 Y310 N311 P316Y250-Y254 AromaticContact CD2-CD2 3.72Å; Y250-Y254 HydrophobicContact CD2-CD2 3.72Å; Y250-Y254 HydrophobicContact CD2-CE2 4.36Å; Y250-Y254 AromaticContact CE2-CD2 3.44Å; Y250-Y254 HydrophobicContact CE2-CD2 3.44Å; Y250-Y254 VanDerWaalsContact CE2-CD2 3.44Å; Y250-Y254 HydrophobicContact CE2-CE2 4.05Å; Y250-Y254 AromaticContact CE2-CG 3.95Å; Y250-Y254 HydrophobicContact CE2-CG 3.95Å; Y250-Y254 WeakPolarHBondContact O-CB 3.26Å; Y250-Y254 PolarHBondContact O-N 3.36Å; Y254-L275 HydrophobicContact CD2-CD1 4.19Å; Y254-L275 HydrophobicContact CE2-CD1 4.07Å; Y254-L275 HydrophobicContact CE2-CD2 4.14Å; Y254-Y310 WeakPolarHBondContact OH-CB 3.28Å; Y254-N311 VanDerWaalsContact CE1-OD1 3.27Å; Y254-N311 WeakPolarHBondContact CE1-OD1 3.39Å; Y254-N311 PolarHBondContact OH-OD1 3.28Å; Y254-P316 HydrophobicContact CD1-CG 4.5Å; Y254-P316 HydrophobicContact CE1-CG 3.97Å; Y254-P316 HydrophobicContact CE2-CG 4.26Å
255G91.4Very high90.1Very high20 Ų2037.6 Ų37.621%0.20622%0.223CC..SBendtrans-75.6152.4-179.700000112.6L251 P257L251-G255 WeakPolarHBondContact O-CA 3.2Å; L251-G255 PolarHBondContact O-N 3.26Å; G255-P257 WeakPolarHBondContact O-CD 3.46Å
256D88.3Confident90Very high92 Ų9237.4 Ų37.449%0.49222%0.223SC..  trans-75.4119.8172.2179.7-6.8000110A258 V259 T260D256-A258 PolarHBondContact O-N 2.89Å; D256-A258 VanDerWaalsContact O-N 3.13Å; D256-A258 WeakPolarHBondContact OD1-CB 3.37Å; D256-A258 PolarHBondContact OD1-N 3.25Å; D256-V259 HydrophobicContact CB-CB 4.3Å; D256-V259 HydrophobicContact CB-CG2 4Å; D256-V259 WeakPolarHBondContact O-CA 3.48Å; D256-V259 WeakPolarHBondContact O-CB 3.36Å; D256-V259 PolarHBondContact O-N 3.35Å; D256-T260 PolarHBondContact O-N 2.76Å; D256-T260 PolarHBondContact O-OG1 3.29Å
257P85.1Confident89.9Confident63 Ų6337.7 Ų37.741%0.40923%0.225SC..Hα-helixtrans-53.7-30.8176.9-27.736.7000114.4G255 V259 T260 G261 K262G255-P257 WeakPolarHBondContact O-CD 3.46Å; P257-V259 PolarHBondContact O-N 3.12Å; P257-T260 WeakPolarHBondContact CA-OG1 3.42Å; P257-G261 VanDerWaalsContact O-CA 3.32Å; P257-G261 WeakPolarHBondContact O-CA 3.3Å; P257-G261 PolarHBondContact O-N 3.32Å; P257-K262 WeakPolarHBondContact CA-O 3.43Å
258A84.9Confident89.8Confident85 Ų8540 Ų4070%0.70224%0.236SC*.Hα-helixtrans-66.6-28.6176.400000112.1D256D256-A258 PolarHBondContact O-N 2.89Å; D256-A258 VanDerWaalsContact O-N 3.13Å; D256-A258 WeakPolarHBondContact OD1-CB 3.37Å; D256-A258 PolarHBondContact OD1-N 3.25Å
259V83.6Confident89.7Confident58 Ų5840 Ų4035%0.35224%0.235SC..Hα-helixtrans-88.1-50.9178.1-178.40000110.6D256 P257 G261 N357 K358D256-V259 HydrophobicContact CB-CB 4.3Å; D256-V259 HydrophobicContact CB-CG2 4Å; D256-V259 WeakPolarHBondContact O-CA 3.48Å; D256-V259 WeakPolarHBondContact O-CB 3.36Å; D256-V259 PolarHBondContact O-N 3.35Å; P257-V259 PolarHBondContact O-N 3.12Å; V259-G261 VanDerWaalsContact C-N 3.28Å; V259-G261 PolarHBondContact O-N 3.03Å; V259-N357 WeakPolarHBondContact CG1-O 3.44Å; V259-K358 HydrophobicContact CG1-CB 4.01Å; V259-K358 HydrophobicContact CG1-CG 4.42Å; V259-K358 WeakPolarHBondContact O-CD 3.36Å; V259-K358 WeakPolarHBondContact O-CE 3.49Å; V259-K358 WeakPolarHBondContact O-CG 3.15Å; V259-K358 PolarHBondContact O-NZ 3.38Å
260T81.8Confident89.6Confident32 Ų3239.9 Ų39.920%0.19624%0.235CC..Hα-helixtrans-68-28.7-177.964.50000112L251 D256 P257 K262L251-T260 HydrophobicContact CB-CG2 4.34Å; D256-T260 PolarHBondContact O-N 2.76Å; D256-T260 PolarHBondContact O-OG1 3.29Å; P257-T260 WeakPolarHBondContact CA-OG1 3.42Å; T260-K262 VanDerWaalsContact C-N 3.27Å; T260-K262 PolarHBondContact OG1-N 3.4Å; T260-K262 PolarHBondContact OG1-O 3.24Å
261G80.7Confident89.5Confident15 Ų1539 Ų3916%0.15523%0.232CC..SBendtrans75.613.1-178.100000114G119 P257 V259G119-G261 PolarHBondContact N-O 2.86Å; P257-G261 VanDerWaalsContact O-CA 3.32Å; P257-G261 WeakPolarHBondContact O-CA 3.3Å; P257-G261 PolarHBondContact O-N 3.32Å; V259-G261 VanDerWaalsContact C-N 3.28Å; V259-G261 PolarHBondContact O-N 3.03Å
262K82.6Confident89.6Confident44 Ų4438 Ų3819%0.19123%0.227CC..SBendtrans-142.1151.7171.961.3163.1175.2156.50110.4D248 D252 P257 T260D248-K262 IonicContact OD2-NZ 3.32Å; D248-K262 PolarHBondContact OD2-NZ 3.3Å; D248-K262 VanDerWaalsContact OD2-NZ 3.16Å; D252-K262 IonicContact OD1-NZ 3.56Å; D252-K262 PolarHBondContact OD1-NZ 3Å; P257-K262 WeakPolarHBondContact CA-O 3.43Å; T260-K262 VanDerWaalsContact C-N 3.27Å; T260-K262 PolarHBondContact OG1-N 3.4Å; T260-K262 PolarHBondContact OG1-O 3.24Å
263I85.6Confident89.8Confident109 Ų10937.6 Ų37.656%0.55923%0.225SC*.  trans-81.8132.2165.6-60.5172.1000106.8
264G85.9Confident89.9Confident18 Ų1837.2 Ų37.219%0.18622%0.222CC..  trans-71.6137.6176.100000112.6D252 Q268D252-G264 WeakPolarHBondContact O-CA 3.12Å; D252-G264 WeakPolarHBondContact OD1-CA 3.28Å; D252-G264 VanDerWaalsContact OD2-C 3.26Å; D252-G264 WeakPolarHBondContact OD2-CA 3.37Å; G264-Q268 PolarHBondContact O-NE2 3.33Å
265T89.9Confident90.1Very high35 Ų3534.4 Ų34.422%0.21521%0.211CC..  trans-130.8-1.1-173.862.30000113.5D252 I267 Q268 D269D252-T265 PolarHBondContact OD2-N 2.85Å; T265-I267 PolarHBondContact O-N 2.82Å; T265-I267 VanDerWaalsContact O-N 3.09Å; T265-Q268 PolarHBondContact O-N 3.2Å; T265-Q268 PolarHBondContact O-OE1 3.42Å; T265-D269 WeakPolarHBondContact CB-OD2 3.49Å; T265-D269 WeakPolarHBondContact O-CB 3.43Å; T265-D269 PolarHBondContact O-N 3.45Å; T265-D269 PolarHBondContact OG1-OD2 2.77Å
266D93.8Very high90.4Very high25 Ų2533.4 Ų33.413%0.13420%0.201CC..THydrogen-bonded Turntrans-54.1-39.4-172.5-79.1-5.9000113.4D252 N270 K271D252-D266 WeakPolarHBondContact OD2-CB 3.48Å; D252-D266 PolarHBondContact OD2-N 2.87Å; D266-N270 PolarHBondContact O-N 3.15Å; D266-K271 HydrophobicContact CB-CB 4.02Å; D266-K271 HydrophobicContact CB-CG 4.33Å; D266-K271 WeakPolarHBondContact O-CB 3.21Å; D266-K271 PolarHBondContact O-N 3.39Å
267I95.1Very high90.9Very high7 Ų729.1 Ų29.14%0.03618%0.178CC..THydrogen-bonded Turntrans-67.2-47.2178.6-62.9170.1000110.4T265 D269 N270 Y295 G296 V303 V306 K307 Y310T265-I267 PolarHBondContact O-N 2.82Å; T265-I267 VanDerWaalsContact O-N 3.09Å; I267-D269 VanDerWaalsContact C-N 3.31Å; I267-D269 PolarHBondContact O-N 3.42Å; I267-N270 PolarHBondContact O-N 3.42Å; I267-Y295 HydrophobicContact CB-CE2 4.23Å; I267-Y295 HydrophobicContact CG1-CE2 3.97Å; I267-Y295 HydrophobicContact CG2-CD2 4Å; I267-Y295 HydrophobicContact CG2-CE2 4.08Å; I267-G296 WeakPolarHBondContact O-CA 3.35Å; I267-G296 PolarHBondContact O-N 3.42Å; I267-V303 HydrophobicContact CD1-CG1 4.23Å; I267-V303 HydrophobicContact CG2-CG1 4.5Å; I267-V303 HydrophobicContact CG2-CG2 4.23Å; I267-V306 HydrophobicContact CD1-CB 4.17Å; I267-V306 HydrophobicContact CD1-CG1 3.75Å; I267-V306 HydrophobicContact CG1-CG1 4.05Å; I267-V306 HydrophobicContact CG2-CB 4Å; I267-V306 HydrophobicContact CG2-CG1 4.02Å; I267-V306 HydrophobicContact CG2-CG2 3.97Å; I267-K307 HydrophobicContact CD1-CG 3.95Å; I267-Y310 HydrophobicContact CD1-CE2 4.3Å
268Q93.1Very high91.5Very high48 Ų4828.8 Ų28.822%0.22417%0.17CC..THydrogen-bonded Turntrans-66.4-35.8-178.9-62.492.2-58.200111.8G264 T265 N270 G296 V303G264-Q268 PolarHBondContact O-NE2 3.33Å; T265-Q268 PolarHBondContact O-N 3.2Å; T265-Q268 PolarHBondContact O-OE1 3.42Å; Q268-N270 PolarHBondContact O-N 3.1Å; Q268-G296 CarbonylContact O-C 3.51Å; Q268-V303 HydrophobicContact CG-CG2 3.53Å
269D90.8Very high92.1Very high40 Ų4024.8 Ų24.821%0.21414%0.137CC..THydrogen-bonded Turntrans-888.6-175.7-63.3-20.4000112.5T265 I267 K271T265-D269 WeakPolarHBondContact CB-OD2 3.49Å; T265-D269 WeakPolarHBondContact O-CB 3.43Å; T265-D269 PolarHBondContact O-N 3.45Å; T265-D269 PolarHBondContact OG1-OD2 2.77Å; I267-D269 VanDerWaalsContact C-N 3.31Å; I267-D269 PolarHBondContact O-N 3.42Å; D269-K271 HydrophobicContact CB-CG 3.93Å; D269-K271 PolarHBondContact O-N 3.05Å
270N94.3Very high92.8Very high6 Ų623.5 Ų23.53%0.03213%0.128CC..THydrogen-bonded Turntrans5927.4178.1-169.635.7000112.6A183 H187 F193 D266 I267 Q268A183-N270 HydrophobicContact CB-CB 4.47Å; A183-N270 WeakPolarHBondContact CB-O 3Å; H187-N270 PolarHBondContact O-ND2 2.94Å; H187-N270 VanDerWaalsContact O-ND2 3.08Å; F193-N270 VanDerWaalsContact CZ-O 3.29Å; F193-N270 WeakPolarHBondContact CZ-O 3.28Å; D266-N270 PolarHBondContact O-N 3.15Å; I267-N270 PolarHBondContact O-N 3.42Å; Q268-N270 PolarHBondContact O-N 3.1Å
271K94.6Very high93.5Very high13 Ų1326.8 Ų26.86%0.05714%0.141CC..  trans-66.8141.4-173.5-66.1-73-178.4166.50110.9D112 D179 D266 D269 S273 Y295D112-K271 IonicContact OD1-NZ 3.94Å; D112-K271 PolarHBondContact OD1-NZ 3.43Å; D112-K271 WeakPolarHBondContact OD2-CE 3.34Å; D112-K271 IonicContact OD2-NZ 2.78Å; D112-K271 PolarHBondContact OD2-NZ 3.15Å; D179-K271 IonicContact OD2-NZ 3.4Å; D179-K271 PolarHBondContact OD2-NZ 2.77Å; D266-K271 HydrophobicContact CB-CB 4.02Å; D266-K271 HydrophobicContact CB-CG 4.33Å; D266-K271 WeakPolarHBondContact O-CB 3.21Å; D266-K271 PolarHBondContact O-N 3.39Å; D269-K271 HydrophobicContact CB-CG 3.93Å; D269-K271 PolarHBondContact O-N 3.05Å; K271-S273 PolarHBondContact O-N 3.46Å; K271-Y295 WeakPolarHBondContact O-CE1 3.29Å; K271-Y295 PolarHBondContact O-OH 2.81Å
272C96.7Very high94.2Very high4 Ų429.5 Ų29.53%0.02715%0.154CC..  trans-76.560.6171-177.20000109.7T182 F193 Y198 I201T182-C272 HydrophobicContact CG2-CB 3.64Å; F193-C272 HydrophobicContact CD1-CB 3.7Å; F193-C272 HydrophobicContact CE1-CB 3.89Å; F193-C272 HydrophobicContact CG-CB 4.32Å; Y198-C272 WeakPolarHBondContact CD2-O 3.45Å; I201-C272 HydrophobicContact CD1-CB 4.25Å
273S97.3Very high94.9Very high4 Ų428.5 Ų28.53%0.02815%0.151CC..  trans-73.8160.9-179.170.50000112.1D249 K271 L275 V276 V277 Y295D249-S273 WeakPolarHBondContact OD2-CA 3.21Å; D249-S273 WeakPolarHBondContact OD2-CB 3.17Å; K271-S273 PolarHBondContact O-N 3.46Å; S273-L275 PolarHBondContact O-N 2.94Å; S273-V276 VanDerWaalsContact O-CG1 3.3Å; S273-V276 WeakPolarHBondContact O-CG1 3.46Å; S273-V276 PolarHBondContact O-N 3.04Å; S273-V277 VanDerWaalsContact O-CG2 3.31Å; S273-V277 WeakPolarHBondContact O-CG2 3.33Å; S273-V277 PolarHBondContact O-N 2.9Å; S273-Y295 PolarHBondContact OG-OH 3.1Å
274W98.3Very high95.5Very high3 Ų326.2 Ų26.21%0.01114%0.142CC..Hα-helixtrans-54.7-38.7174.8-177.881.5000112.3Y198 I246 D249 V277 K278 M315 L318 Y319 Y322Y198-W274 HydrophobicContact CE1-CB 3.97Å; Y198-W274 AromaticContact CE1-CD1 3.83Å; Y198-W274 HydrophobicContact CE1-CG 4.32Å; Y198-W274 HydrophobicContact CE2-CB 4.08Å; I246-W274 HydrophobicContact CB-CB 4.48Å; I246-W274 HydrophobicContact CB-CG 4.25Å; I246-W274 HydrophobicContact CD1-CG 4.33Å; I246-W274 HydrophobicContact CG1-CB 4.08Å; I246-W274 HydrophobicContact CG1-CG 3.82Å; I246-W274 HydrophobicContact CG2-CB 4.25Å; I246-W274 HydrophobicContact CG2-CD2 3.68Å; I246-W274 HydrophobicContact CG2-CE3 4.2Å; I246-W274 HydrophobicContact CG2-CG 3.68Å; D249-W274 HydrophobicContact CB-CB 4.27Å; D249-W274 PolarHBondContact OD2-N 2.93Å; W274-V277 PolarHBondContact O-N 3.19Å; W274-K278 HydrophobicContact CD2-CB 4.31Å; W274-K278 HydrophobicContact CH2-CB 4.38Å; W274-K278 HydrophobicContact CH2-CG 4.02Å; W274-K278 HydrophobicContact CZ2-CB 4.17Å; W274-K278 HydrophobicContact CZ2-CD 4.38Å; W274-K278 HydrophobicContact CZ2-CG 3.84Å; W274-K278 WeakPolarHBondContact O-CB 3.27Å; W274-K278 PolarHBondContact O-N 3.14Å; W274-M315 HydrophobicContact CH2-CE 4.35Å; W274-M315 HydrophobicContact CZ3-CE 3.97Å; W274-L318 HydrophobicContact CH2-CB 4.36Å; W274-Y319 HydrophobicContact CZ3-CD2 4.36Å; W274-Y322 HydrophobicContact CZ2-CG 4.27Å
275L98.2Very high96Very high1 Ų129.8 Ų29.81%0.00516%0.162CC..Hα-helixtrans-62-47.3-177.9-74.8172000112Y250 C253 Y254 S273 A279 Y310 M315Y250-L275 HydrophobicContact CD2-CD2 4.36Å; C253-L275 HydrophobicContact CB-CD1 3.27Å; Y254-L275 HydrophobicContact CD2-CD1 4.19Å; Y254-L275 HydrophobicContact CE2-CD1 4.07Å; Y254-L275 HydrophobicContact CE2-CD2 4.14Å; S273-L275 PolarHBondContact O-N 2.94Å; L275-A279 WeakPolarHBondContact O-CB 3.36Å; L275-A279 PolarHBondContact O-N 3.29Å; L275-Y310 HydrophobicContact CB-CD2 4.34Å; L275-Y310 HydrophobicContact CB-CE2 3.74Å; L275-Y310 HydrophobicContact CD1-CD2 4.29Å; L275-Y310 HydrophobicContact CD1-CE2 4.1Å; L275-Y310 HydrophobicContact CG-CE2 4.47Å; L275-M315 HydrophobicContact CD2-CB 3.94Å; L275-M315 HydrophobicContact CD2-CE 3.99Å; L275-M315 HydrophobicContact CD2-CG 4.44Å
276V97.9Very high96.4Very high0 Ų034.3 Ų34.30%018%0.181CC..Hα-helixtrans-68.7-42.3-179.569.50000111.5F193 S273 K278 A279 L280 L291 Y295 Y310F193-V276 HydrophobicContact CB-CG1 4.49Å; F193-V276 HydrophobicContact CD2-CB 4.34Å; F193-V276 HydrophobicContact CD2-CG1 3.57Å; F193-V276 HydrophobicContact CD2-CG2 3.79Å; F193-V276 HydrophobicContact CE2-CG1 4.06Å; F193-V276 HydrophobicContact CE2-CG2 4.25Å; F193-V276 HydrophobicContact CG-CG1 4.25Å; S273-V276 VanDerWaalsContact O-CG1 3.3Å; S273-V276 WeakPolarHBondContact O-CG1 3.46Å; S273-V276 PolarHBondContact O-N 3.04Å; V276-K278 VanDerWaalsContact C-N 3.34Å; V276-K278 PolarHBondContact O-N 3.36Å; V276-A279 PolarHBondContact O-N 3.06Å; V276-L280 HydrophobicContact CG2-CD1 4.23Å; V276-L280 WeakPolarHBondContact O-CB 3.3Å; V276-L280 WeakPolarHBondContact O-CD1 3.31Å; V276-L280 VanDerWaalsContact O-CG 3.25Å; V276-L280 WeakPolarHBondContact O-CG 3.49Å; V276-L280 PolarHBondContact O-N 3.4Å; V276-L291 HydrophobicContact CG2-CD2 3.76Å; V276-Y295 HydrophobicContact CB-CE1 4.34Å; V276-Y295 HydrophobicContact CB-CE2 4.03Å; V276-Y295 HydrophobicContact CG1-CE1 4.33Å; V276-Y295 HydrophobicContact CG2-CD2 4.36Å; V276-Y295 HydrophobicContact CG2-CE1 4.16Å; V276-Y295 HydrophobicContact CG2-CE2 3.97Å; V276-Y310 VanDerWaalsContact CA-OH 3.32Å; V276-Y310 WeakPolarHBondContact CA-OH 3.42Å; V276-Y310 WeakPolarHBondContact CB-OH 3.47Å; V276-Y310 PolarHBondContact N-OH 3.26Å
277V98Very high96.5Very high2 Ų235.5 Ų35.51%0.01219%0.186CC..Hα-helixtrans-60.7-46.7178174.60000110.3F193 M195 S273 W274 L280F193-V277 HydrophobicContact CB-CG2 4.09Å; M195-V277 HydrophobicContact CB-CG1 4.08Å; M195-V277 HydrophobicContact CE-CG1 3.83Å; M195-V277 VanDerWaalsContact N-CG1 3.33Å; S273-V277 VanDerWaalsContact O-CG2 3.31Å; S273-V277 WeakPolarHBondContact O-CG2 3.33Å; S273-V277 PolarHBondContact O-N 2.9Å; W274-V277 PolarHBondContact O-N 3.19Å; V277-L280 PolarHBondContact O-N 3.09Å
278K98Very high96.7Very high56 Ų5638.6 Ų38.624%0.24320%0.197CC..Hα-helixtrans-72.7-34.7-177.9-171.664.1-178.5172.30112.4W274 V276 L280 E281 M315 L318W274-K278 HydrophobicContact CD2-CB 4.31Å; W274-K278 HydrophobicContact CH2-CB 4.38Å; W274-K278 HydrophobicContact CH2-CG 4.02Å; W274-K278 HydrophobicContact CZ2-CB 4.17Å; W274-K278 HydrophobicContact CZ2-CD 4.38Å; W274-K278 HydrophobicContact CZ2-CG 3.84Å; W274-K278 WeakPolarHBondContact O-CB 3.27Å; W274-K278 PolarHBondContact O-N 3.14Å; V276-K278 VanDerWaalsContact C-N 3.34Å; V276-K278 PolarHBondContact O-N 3.36Å; K278-L280 VanDerWaalsContact C-N 3.33Å; K278-E281 WeakPolarHBondContact CD-OE2 3.47Å; K278-E281 WeakPolarHBondContact CE-OE2 3.29Å; K278-E281 IonicContact NZ-OE2 2.66Å; K278-E281 PolarHBondContact NZ-OE2 2.92Å; K278-E281 PolarHBondContact O-N 2.81Å; K278-M315 HydrophobicContact CB-CE 3.68Å; K278-M315 HydrophobicContact CG-CE 3.78Å; K278-L318 HydrophobicContact CG-CD1 4.45Å
279A98.1Very high96.8Very high0 Ų039.7 Ų39.70%021%0.21CC..Hα-helixtrans-61.9-41.4172.700000111.6L275 V276 E281 V282 M283 Y310 L313 M315L275-A279 WeakPolarHBondContact O-CB 3.36Å; L275-A279 PolarHBondContact O-N 3.29Å; V276-A279 PolarHBondContact O-N 3.06Å; A279-E281 PolarHBondContact O-N 3.15Å; A279-V282 WeakPolarHBondContact O-CG2 3.17Å; A279-V282 PolarHBondContact O-N 3.35Å; A279-V282 VanDerWaalsContact O-N 3.09Å; A279-M283 HydrophobicContact CB-CE 3.61Å; A279-M283 WeakPolarHBondContact O-CB 3.16Å; A279-M283 WeakPolarHBondContact O-CE 3.11Å; A279-M283 WeakPolarHBondContact O-CG 3.37Å; A279-M283 PolarHBondContact O-N 3.19Å; A279-Y310 HydrophobicContact CB-CD1 4Å; A279-Y310 HydrophobicContact CB-CE1 3.74Å; A279-L313 HydrophobicContact CB-CD1 3.7Å; A279-M315 HydrophobicContact CB-SD 4.04Å
280L97.8Very high97.1Very high32 Ų3241 Ų4117%0.16822%0.219CC..Hα-helixtrans-60.7-26.7179.4-76.9164.3000113.3L190 F193 V276 V277 K278 V282 M283 R288 L291L190-L280 HydrophobicContact CB-CD1 4.22Å; L190-L280 HydrophobicContact CB-CD2 4.25Å; L190-L280 HydrophobicContact CD1-CD2 4.12Å; F193-L280 HydrophobicContact CB-CD1 3.67Å; F193-L280 HydrophobicContact CD2-CD1 4.37Å; V276-L280 HydrophobicContact CG2-CD1 4.23Å; V276-L280 WeakPolarHBondContact O-CB 3.3Å; V276-L280 WeakPolarHBondContact O-CD1 3.31Å; V276-L280 VanDerWaalsContact O-CG 3.25Å; V276-L280 WeakPolarHBondContact O-CG 3.49Å; V276-L280 PolarHBondContact O-N 3.4Å; V277-L280 PolarHBondContact O-N 3.09Å; K278-L280 VanDerWaalsContact C-N 3.33Å; L280-V282 VanDerWaalsContact C-N 3.33Å; L280-M283 HydrophobicContact CB-CE 4.46Å; L280-M283 HydrophobicContact CD2-CE 4.01Å; L280-M283 HydrophobicContact CD2-SD 3.73Å; L280-M283 HydrophobicContact CG-CE 4.07Å; L280-M283 HydrophobicContact CG-SD 4.41Å; L280-R288 HydrophobicContact CD2-CG 4.45Å; L280-L291 HydrophobicContact CD2-CD2 4.11Å; L280-L291 HydrophobicContact CG-CD2 4.32Å
281E96.6Very high97.2Very high101 Ų10140.8 Ų40.847%0.47222%0.218SC..THydrogen-bonded Turntrans-73.1-22.5176.9-65.7177.3-17600113.7K278 A279K278-E281 WeakPolarHBondContact CD-OE2 3.47Å; K278-E281 WeakPolarHBondContact CE-OE2 3.29Å; K278-E281 IonicContact NZ-OE2 2.66Å; K278-E281 PolarHBondContact NZ-OE2 2.92Å; K278-E281 PolarHBondContact O-N 2.81Å; A279-E281 PolarHBondContact O-N 3.15Å
282V96.1Very high97.2Very high71 Ų7144 Ų4443%0.4323%0.233SC..THydrogen-bonded Turntrans-122.3-9.6-169.5-61.10000114.2A279 L280 L313A279-V282 WeakPolarHBondContact O-CG2 3.17Å; A279-V282 PolarHBondContact O-N 3.35Å; A279-V282 VanDerWaalsContact O-N 3.09Å; L280-V282 VanDerWaalsContact C-N 3.33Å; V282-L313 HydrophobicContact CG2-CD2 4.23Å
283M96.4Very high97.2Very high24 Ų2446.7 Ų46.712%0.11826%0.256CS..  trans-79.9152-176.665.1176.663.800113.7A279 L280 Q287 R288 L291 L313A279-M283 HydrophobicContact CB-CE 3.61Å; A279-M283 WeakPolarHBondContact O-CB 3.16Å; A279-M283 WeakPolarHBondContact O-CE 3.11Å; A279-M283 WeakPolarHBondContact O-CG 3.37Å; A279-M283 PolarHBondContact O-N 3.19Å; L280-M283 HydrophobicContact CB-CE 4.46Å; L280-M283 HydrophobicContact CD2-CE 4.01Å; L280-M283 HydrophobicContact CD2-SD 3.73Å; L280-M283 HydrophobicContact CG-CE 4.07Å; L280-M283 HydrophobicContact CG-SD 4.41Å; M283-Q287 HydrophobicContact CB-CB 3.93Å; M283-R288 HydrophobicContact CG-CB 4.23Å; M283-R288 WeakPolarHBondContact SD-CA 3.34Å; M283-R288 HydrophobicContact SD-CB 3.56Å; M283-R288 VanDerWaalsContact SD-CB 3.56Å; M283-R288 HydrophobicContact SD-CG 4.03Å; M283-L291 HydrophobicContact CE-CD2 3.45Å; M283-L291 VanDerWaalsContact CE-CD2 3.45Å; M283-L291 HydrophobicContact SD-CD2 4.11Å; M283-L313 HydrophobicContact CB-CD1 4.16Å; M283-L313 HydrophobicContact CB-CD2 4.3Å; M283-L313 HydrophobicContact CE-CD1 4.37Å
284T97.9Very high97.1Very high61 Ų6147 Ų4737%0.37426%0.257SS..  trans-77164.6170.879.90000111.6E286 Q287 R288T284-E286 VanDerWaalsContact C-N 3.25Å; T284-E286 VanDerWaalsContact CB-OE2 3.3Å; T284-E286 WeakPolarHBondContact CB-OE2 3.47Å; T284-E286 PolarHBondContact O-N 3.44Å; T284-E286 PolarHBondContact OG1-N 3.34Å; T284-E286 PolarHBondContact OG1-OE2 3.26Å; T284-Q287 PolarHBondContact O-N 3Å; T284-Q287 PolarHBondContact OG1-N 3.43Å; T284-R288 PolarHBondContact O-N 3.2Å
285P97.4Very high97Very high93 Ų9346.8 Ų46.860%0.60426%0.257SS*.Hα-helixtrans-56.8-35.7174.7-26.636.6000114.1R288 S289P285-R288 PolarHBondContact O-N 2.97Å; P285-S289 PolarHBondContact O-N 2.9Å; P285-S289 PolarHBondContact O-OG 2.94Å
286E97.4Very high96.8Very high129 Ų12947.8 Ų47.860%0.60327%0.267SS*.Hα-helixtrans-68.6-45178-58.171.6-153.300110.9T284 R288 S289 V290T284-E286 VanDerWaalsContact C-N 3.25Å; T284-E286 VanDerWaalsContact CB-OE2 3.3Å; T284-E286 WeakPolarHBondContact CB-OE2 3.47Å; T284-E286 PolarHBondContact O-N 3.44Å; T284-E286 PolarHBondContact OG1-N 3.34Å; T284-E286 PolarHBondContact OG1-OE2 3.26Å; E286-R288 VanDerWaalsContact C-N 3.32Å; E286-R288 PolarHBondContact O-N 2.89Å; E286-S289 WeakPolarHBondContact O-CB 3.32Å; E286-S289 PolarHBondContact O-N 3.41Å; E286-V290 PolarHBondContact O-N 3.14Å; E286-V290 VanDerWaalsContact O-N 3.14Å
287Q97.9Very high96.6Very high51 Ų5153.4 Ų53.424%0.23829%0.288CS..Hα-helixtrans-62.1-40.2175.1-74.9175.4-29.400111.8M283 T284 S289 V290 L291 L309M283-Q287 HydrophobicContact CB-CB 3.93Å; T284-Q287 PolarHBondContact O-N 3Å; T284-Q287 PolarHBondContact OG1-N 3.43Å; Q287-S289 VanDerWaalsContact C-N 3.34Å; Q287-S289 PolarHBondContact O-N 2.91Å; Q287-V290 WeakPolarHBondContact O-CB 3.5Å; Q287-V290 PolarHBondContact O-N 3.17Å; Q287-L291 PolarHBondContact O-N 3.3Å; Q287-L309 HydrophobicContact CB-CD1 3.78Å; Q287-L309 HydrophobicContact CG-CD1 3.72Å
288R97.3Very high96.3Very high71 Ų7161.6 Ų61.627%0.26832%0.324SS..Hα-helixtrans-60.3-43.5173.7-177.6175.7171.7135-1.8112.1N191 L280 M283 T284 P285 E286 V290 L291 E292N191-R288 PolarHBondContact OD1-NH2 3.43Å; L280-R288 HydrophobicContact CD2-CG 4.45Å; M283-R288 HydrophobicContact CG-CB 4.23Å; M283-R288 WeakPolarHBondContact SD-CA 3.34Å; M283-R288 HydrophobicContact SD-CB 3.56Å; M283-R288 VanDerWaalsContact SD-CB 3.56Å; M283-R288 HydrophobicContact SD-CG 4.03Å; T284-R288 PolarHBondContact O-N 3.2Å; P285-R288 PolarHBondContact O-N 2.97Å; E286-R288 VanDerWaalsContact C-N 3.32Å; E286-R288 PolarHBondContact O-N 2.89Å; R288-V290 VanDerWaalsContact C-N 3.26Å; R288-V290 PolarHBondContact O-N 3.44Å; R288-L291 WeakPolarHBondContact O-CB 3.46Å; R288-L291 PolarHBondContact O-N 3.01Å; R288-L291 VanDerWaalsContact O-N 3.1Å; R288-E292 HydrophobicContact CG-CG 4.38Å; R288-E292 IonicContact CZ-OE1 3.78Å; R288-E292 IonicContact NE-OE1 3.58Å; R288-E292 PolarHBondContact NE-OE1 3.18Å; R288-E292 IonicContact NH2-OE1 3.32Å; R288-E292 PolarHBondContact NH2-OE1 3.1Å; R288-E292 WeakPolarHBondContact O-CG 3.34Å; R288-E292 PolarHBondContact O-N 3.1Å
289S96.3Very high96.1Very high71 Ų7162.6 Ų62.650%0.49733%0.332SS..Hα-helixtrans-61.2-36.8177.6-57.10000111.8P285 E286 Q287 A293P285-S289 PolarHBondContact O-N 2.9Å; P285-S289 PolarHBondContact O-OG 2.94Å; E286-S289 WeakPolarHBondContact O-CB 3.32Å; E286-S289 PolarHBondContact O-N 3.41Å; Q287-S289 VanDerWaalsContact C-N 3.34Å; Q287-S289 PolarHBondContact O-N 2.91Å; S289-A293 PolarHBondContact O-N 3.13Å
290V96.6Very high95.9Very high69 Ų6970.9 Ų70.942%0.41837%0.371SS..Hα-helixtrans-64.9-44.6173.2175.40000111.1E286 Q287 R288 A293 C294E286-V290 PolarHBondContact O-N 3.14Å; E286-V290 VanDerWaalsContact O-N 3.14Å; Q287-V290 WeakPolarHBondContact O-CB 3.5Å; Q287-V290 PolarHBondContact O-N 3.17Å; R288-V290 VanDerWaalsContact C-N 3.26Å; R288-V290 PolarHBondContact O-N 3.44Å; V290-A293 PolarHBondContact O-N 3.01Å; V290-C294 PolarHBondContact O-N 3.17Å; V290-C294 PolarHBondContact O-SG 2.92Å
291L96.8Very high95.9Very high0 Ų072.3 Ų72.30%039%0.387CS..Hα-helixtrans-60.5-47.4177.1-175.168.4000111.2L190 V276 L280 M283 Q287 R288 A293 C294 Y295 V306 L309L190-L291 HydrophobicContact CD1-CB 4.44Å; L190-L291 HydrophobicContact CD1-CD2 3.75Å; L190-L291 HydrophobicContact CD1-CG 3.99Å; V276-L291 HydrophobicContact CG2-CD2 3.76Å; L280-L291 HydrophobicContact CD2-CD2 4.11Å; L280-L291 HydrophobicContact CG-CD2 4.32Å; M283-L291 HydrophobicContact CE-CD2 3.45Å; M283-L291 VanDerWaalsContact CE-CD2 3.45Å; M283-L291 HydrophobicContact SD-CD2 4.11Å; Q287-L291 PolarHBondContact O-N 3.3Å; R288-L291 WeakPolarHBondContact O-CB 3.46Å; R288-L291 PolarHBondContact O-N 3.01Å; R288-L291 VanDerWaalsContact O-N 3.1Å; L291-A293 PolarHBondContact O-N 2.93Å; L291-C294 PolarHBondContact O-N 3.29Å; L291-C294 VanDerWaalsContact O-N 3.1Å; L291-Y295 HydrophobicContact CD1-CD2 3.52Å; L291-Y295 HydrophobicContact CD1-CE2 4.31Å; L291-Y295 HydrophobicContact CD1-CG 4.08Å; L291-Y295 HydrophobicContact CG-CD2 4.43Å; L291-Y295 VanDerWaalsContact O-CB 3.28Å; L291-Y295 WeakPolarHBondContact O-CB 3.42Å; L291-Y295 PolarHBondContact O-N 3.46Å; L291-V306 HydrophobicContact CD1-CG1 4Å; L291-V306 HydrophobicContact CD1-CG2 4.14Å; L291-L309 HydrophobicContact CB-CD2 3.92Å; L291-L309 HydrophobicContact CD1-CD2 4.33Å
292E95.3Very high95.9Very high82 Ų8268.2 Ų68.238%0.38337%0.369SS..Hα-helixtrans-59.1-33.8178.7-72.7175.5176.800112.7L190 R288L190-E292 HydrophobicContact CD1-CB 4.39Å; L190-E292 HydrophobicContact CD1-CG 3.35Å; L190-E292 HydrophobicContact CG-CG 4.07Å; R288-E292 HydrophobicContact CG-CG 4.38Å; R288-E292 IonicContact CZ-OE1 3.78Å; R288-E292 IonicContact NE-OE1 3.58Å; R288-E292 PolarHBondContact NE-OE1 3.18Å; R288-E292 IonicContact NH2-OE1 3.32Å; R288-E292 PolarHBondContact NH2-OE1 3.1Å; R288-E292 WeakPolarHBondContact O-CG 3.34Å; R288-E292 PolarHBondContact O-N 3.1Å
293A95Very high95.9Very high60 Ų6065.5 Ų65.550%0.49635%0.353SS..Hα-helixtrans-73.2-33.717700000113.2S289 V290 L291 R297S289-A293 PolarHBondContact O-N 3.13Å; V290-A293 PolarHBondContact O-N 3.01Å; L291-A293 PolarHBondContact O-N 2.93Å; A293-R297 PolarHBondContact O-NE 3.12Å
294C96.2Very high96Very high9 Ų967.2 Ų67.26%0.06137%0.367CS..Hα-helixtrans-108.2-26.1-166.6-56.40000114.8V290 L291 R297 S302 V306V290-C294 PolarHBondContact O-N 3.17Å; V290-C294 PolarHBondContact O-SG 2.92Å; L291-C294 PolarHBondContact O-N 3.29Å; L291-C294 VanDerWaalsContact O-N 3.1Å; C294-R297 WeakPolarHBondContact O-CB 3.25Å; C294-R297 VanDerWaalsContact O-CG 3.28Å; C294-R297 WeakPolarHBondContact O-CG 3.36Å; C294-S302 WeakPolarHBondContact O-CB 3.16Å; C294-V306 HydrophobicContact CB-CG2 3.73Å
295Y95.9Very high96Very high0 Ų069.4 Ų69.40%037%0.372CS..THydrogen-bonded Turntrans-70147.9-178-149.8-102000111.2I188 F193 I267 K271 S273 V276 L291 R297 V306 Y310I188-Y295 WeakPolarHBondContact CD1-O 3.28Å; F193-Y295 HydrophobicContact CE2-CD1 4.03Å; F193-Y295 AromaticContact CE2-CE1 3.8Å; F193-Y295 HydrophobicContact CE2-CE1 3.8Å; F193-Y295 HydrophobicContact CZ-CE1 4.48Å; I267-Y295 HydrophobicContact CB-CE2 4.23Å; I267-Y295 HydrophobicContact CG1-CE2 3.97Å; I267-Y295 HydrophobicContact CG2-CD2 4Å; I267-Y295 HydrophobicContact CG2-CE2 4.08Å; K271-Y295 WeakPolarHBondContact O-CE1 3.29Å; K271-Y295 PolarHBondContact O-OH 2.81Å; S273-Y295 PolarHBondContact OG-OH 3.1Å; V276-Y295 HydrophobicContact CB-CE1 4.34Å; V276-Y295 HydrophobicContact CB-CE2 4.03Å; V276-Y295 HydrophobicContact CG1-CE1 4.33Å; V276-Y295 HydrophobicContact CG2-CD2 4.36Å; V276-Y295 HydrophobicContact CG2-CE1 4.16Å; V276-Y295 HydrophobicContact CG2-CE2 3.97Å; L291-Y295 HydrophobicContact CD1-CD2 3.52Å; L291-Y295 HydrophobicContact CD1-CE2 4.31Å; L291-Y295 HydrophobicContact CD1-CG 4.08Å; L291-Y295 HydrophobicContact CG-CD2 4.43Å; L291-Y295 VanDerWaalsContact O-CB 3.28Å; L291-Y295 WeakPolarHBondContact O-CB 3.42Å; L291-Y295 PolarHBondContact O-N 3.46Å; Y295-R297 PolarHBondContact O-N 2.95Å; Y295-V306 HydrophobicContact CD2-CG1 3.81Å; Y295-V306 HydrophobicContact CD2-CG2 4.07Å; Y295-V306 HydrophobicContact CE2-CG1 3.98Å; Y295-Y310 VanDerWaalsContact CE2-OH 3.29Å; Y295-Y310 WeakPolarHBondContact CE2-OH 3.22Å
296G93.9Very high96Very high22 Ų2265 Ų6523%0.22734%0.343CS..THydrogen-bonded Turntrans6716-177.700000114.6I267 Q268I267-G296 WeakPolarHBondContact O-CA 3.35Å; I267-G296 PolarHBondContact O-N 3.42Å; Q268-G296 CarbonylContact O-C 3.51Å
297R93.3Very high96Very high117 Ų11762.4 Ų62.444%0.44233%0.33SS..  trans-100.5140.9176.3-57.1-60-176.8-172.2-4110.3A293 C294 Y295A293-R297 PolarHBondContact O-NE 3.12Å; C294-R297 WeakPolarHBondContact O-CB 3.25Å; C294-R297 VanDerWaalsContact O-CG 3.28Å; C294-R297 WeakPolarHBondContact O-CG 3.36Å; Y295-R297 PolarHBondContact O-N 2.95Å
298K91.8Very high96.1Very high174 Ų17465.6 Ų65.676%0.75734%0.344SS*.  trans-84.9-13-176-61.5-167.4176.4-166.70114
299D94.4Very high96.1Very high77 Ų7763 Ų6341%0.41234%0.336SS..SBendtrans-80.4142.8-178.671.697.2000112A301 S302 V303D299-A301 PolarHBondContact O-N 3.24Å; D299-A301 WeakPolarHBondContact OD1-CB 3.49Å; D299-A301 PolarHBondContact OD1-N 3.17Å; D299-S302 VanDerWaalsContact CG-OG 3.25Å; D299-S302 PolarHBondContact O-N 2.97Å; D299-S302 WeakPolarHBondContact OD1-CB 3.46Å; D299-S302 PolarHBondContact OD1-N 3.35Å; D299-S302 PolarHBondContact OD1-OG 3.09Å; D299-S302 WeakPolarHBondContact OD2-CB 3.41Å; D299-S302 PolarHBondContact OD2-OG 3.41Å; D299-V303 PolarHBondContact O-N 2.89Å
300E94.6Very high96.2Very high175 Ų17559.6 Ų59.682%0.81831%0.312SS*.Hα-helixtrans-61.9-31-176.4-66.7-177.5168.200113V303 S304E300-V303 PolarHBondContact O-N 3.21Å; E300-S304 VanDerWaalsContact O-CB 3.3Å; E300-S304 WeakPolarHBondContact O-CB 3.23Å; E300-S304 PolarHBondContact O-N 3.1Å
301A97.3Very high96.3Very high61 Ų6160.5 Ų60.550%0.50431%0.314SS..Hα-helixtrans-67.5-42-178.800000111.5D299 S304 K305D299-A301 PolarHBondContact O-N 3.24Å; D299-A301 WeakPolarHBondContact OD1-CB 3.49Å; D299-A301 PolarHBondContact OD1-N 3.17Å; A301-S304 PolarHBondContact O-N 3.07Å; A301-K305 WeakPolarHBondContact O-CG 3.48Å; A301-K305 PolarHBondContact O-N 3.22Å
302S96.8Very high96.3Very high15 Ų1563.8 Ų63.811%0.10534%0.342CS..Hα-helixtrans-63.8-46.2173.6-64.80000111.6C294 D299 S304 K305 V306C294-S302 WeakPolarHBondContact O-CB 3.16Å; D299-S302 VanDerWaalsContact CG-OG 3.25Å; D299-S302 PolarHBondContact O-N 2.97Å; D299-S302 WeakPolarHBondContact OD1-CB 3.46Å; D299-S302 PolarHBondContact OD1-N 3.35Å; D299-S302 PolarHBondContact OD1-OG 3.09Å; D299-S302 WeakPolarHBondContact OD2-CB 3.41Å; D299-S302 PolarHBondContact OD2-OG 3.41Å; S302-S304 VanDerWaalsContact C-N 3.32Å; S302-S304 PolarHBondContact O-N 3.26Å; S302-K305 PolarHBondContact O-N 3.48Å; S302-V306 WeakPolarHBondContact O-CG2 3.45Å; S302-V306 PolarHBondContact O-N 3.21Å; S302-V306 VanDerWaalsContact O-N 3.08Å
303V96.3Very high96.5Very high15 Ų1561 Ų619%0.09133%0.329CS..Hα-helixtrans-59.2-45176.7176.70000111.1I267 Q268 D299 E300 K305 V306 K307I267-V303 HydrophobicContact CD1-CG1 4.23Å; I267-V303 HydrophobicContact CG2-CG1 4.5Å; I267-V303 HydrophobicContact CG2-CG2 4.23Å; Q268-V303 HydrophobicContact CG-CG2 3.53Å; D299-V303 PolarHBondContact O-N 2.89Å; E300-V303 PolarHBondContact O-N 3.21Å; V303-K305 VanDerWaalsContact C-N 3.34Å; V303-K305 PolarHBondContact O-N 3.41Å; V303-V306 PolarHBondContact O-N 3.2Å; V303-K307 WeakPolarHBondContact O-CG 3.46Å; V303-K307 PolarHBondContact O-N 3.38Å
304S97Very high96.6Very high59 Ų5963.3 Ų63.341%0.41333%0.33SS..Hα-helixtrans-62.6-40.9179.8-154.90000111.7E300 A301 S302 V306 K307 E308E300-S304 VanDerWaalsContact O-CB 3.3Å; E300-S304 WeakPolarHBondContact O-CB 3.23Å; E300-S304 PolarHBondContact O-N 3.1Å; A301-S304 PolarHBondContact O-N 3.07Å; S302-S304 VanDerWaalsContact C-N 3.32Å; S302-S304 PolarHBondContact O-N 3.26Å; S304-V306 PolarHBondContact O-N 3.44Å; S304-K307 PolarHBondContact O-N 3.46Å; S304-E308 WeakPolarHBondContact O-CG 3.37Å; S304-E308 PolarHBondContact O-N 2.86Å
305K98Very high96.7Very high108 Ų10862.9 Ų62.947%0.4733%0.327SS..Hα-helixtrans-61.9-40174.2-77.5173.5-179.7174.50113.1A301 S302 V303 K307 E308 L309A301-K305 WeakPolarHBondContact O-CG 3.48Å; A301-K305 PolarHBondContact O-N 3.22Å; S302-K305 PolarHBondContact O-N 3.48Å; V303-K305 VanDerWaalsContact C-N 3.34Å; V303-K305 PolarHBondContact O-N 3.41Å; K305-K307 VanDerWaalsContact C-N 3.35Å; K305-E308 PolarHBondContact O-N 2.91Å; K305-L309 WeakPolarHBondContact O-CB 3.45Å; K305-L309 PolarHBondContact O-N 3.02Å
306V98.2Very high96.8Very high1 Ų164.5 Ų64.51%0.00634%0.337CS..Hα-helixtrans-63.8-43.2175.3174.90000110.3I267 L291 C294 Y295 S302 V303 S304 L309 Y310I267-V306 HydrophobicContact CD1-CB 4.17Å; I267-V306 HydrophobicContact CD1-CG1 3.75Å; I267-V306 HydrophobicContact CG1-CG1 4.05Å; I267-V306 HydrophobicContact CG2-CB 4Å; I267-V306 HydrophobicContact CG2-CG1 4.02Å; I267-V306 HydrophobicContact CG2-CG2 3.97Å; L291-V306 HydrophobicContact CD1-CG1 4Å; L291-V306 HydrophobicContact CD1-CG2 4.14Å; C294-V306 HydrophobicContact CB-CG2 3.73Å; Y295-V306 HydrophobicContact CD2-CG1 3.81Å; Y295-V306 HydrophobicContact CD2-CG2 4.07Å; Y295-V306 HydrophobicContact CE2-CG1 3.98Å; S302-V306 WeakPolarHBondContact O-CG2 3.45Å; S302-V306 PolarHBondContact O-N 3.21Å; S302-V306 VanDerWaalsContact O-N 3.08Å; V303-V306 PolarHBondContact O-N 3.2Å; S304-V306 PolarHBondContact O-N 3.44Å; V306-L309 WeakPolarHBondContact O-CB 3.27Å; V306-L309 PolarHBondContact O-N 2.92Å; V306-Y310 HydrophobicContact CG1-CD2 4.27Å; V306-Y310 HydrophobicContact CG1-CE1 4.13Å; V306-Y310 HydrophobicContact CG1-CE2 3.8Å; V306-Y310 PolarHBondContact O-N 3.25Å
307K98.1Very high96.9Very high73 Ų7369.7 Ų69.732%0.31735%0.354SS..Hα-helixtrans-64.1-41.1176.3-67.5-169.7-180-160.50112.4C253 I267 V303 S304 K305 L309 Y310 N311C253-K307 PolarHBondContact O-NZ 3.08Å; I267-K307 HydrophobicContact CD1-CG 3.95Å; V303-K307 WeakPolarHBondContact O-CG 3.46Å; V303-K307 PolarHBondContact O-N 3.38Å; S304-K307 PolarHBondContact O-N 3.46Å; K305-K307 VanDerWaalsContact C-N 3.35Å; K307-L309 VanDerWaalsContact C-N 3.32Å; K307-L309 PolarHBondContact O-N 3.48Å; K307-Y310 PolarHBondContact O-N 3.18Å; K307-N311 PolarHBondContact O-N 2.87Å; K307-N311 PolarHBondContact O-ND2 3.01Å
308E98.1Very high97.1Very high118 Ų11866.8 Ų66.855%0.55135%0.347SS*.Hα-helixtrans-59.6-43.2172.6-75.2169-159.900111.7S304 K305 N311 A312S304-E308 WeakPolarHBondContact O-CG 3.37Å; S304-E308 PolarHBondContact O-N 2.86Å; K305-E308 PolarHBondContact O-N 2.91Å; E308-N311 WeakPolarHBondContact O-CB 3.32Å; E308-N311 PolarHBondContact O-N 3.35Å; E308-A312 PolarHBondContact O-N 3.24Å
309L98.1Very high97.4Very high16 Ų1658.8 Ų58.88%0.08431%0.312CS..Hα-helixtrans-61.9-46.5175.2177.961.1000111.5Q287 L291 K305 V306 K307 N311 A312 L313Q287-L309 HydrophobicContact CB-CD1 3.78Å; Q287-L309 HydrophobicContact CG-CD1 3.72Å; L291-L309 HydrophobicContact CB-CD2 3.92Å; L291-L309 HydrophobicContact CD1-CD2 4.33Å; K305-L309 WeakPolarHBondContact O-CB 3.45Å; K305-L309 PolarHBondContact O-N 3.02Å; V306-L309 WeakPolarHBondContact O-CB 3.27Å; V306-L309 PolarHBondContact O-N 2.92Å; K307-L309 VanDerWaalsContact C-N 3.32Å; K307-L309 PolarHBondContact O-N 3.48Å; L309-N311 VanDerWaalsContact C-N 3.27Å; L309-N311 PolarHBondContact O-N 3.1Å; L309-A312 PolarHBondContact O-N 3.2Å; L309-A312 VanDerWaalsContact O-N 3.17Å; L309-L313 HydrophobicContact CD1-CD1 4.19Å; L309-L313 HydrophobicContact CD1-CG 4.25Å; L309-L313 HydrophobicContact CG-CD1 4.13Å; L309-L313 WeakPolarHBondContact O-CG 3.4Å; L309-L313 PolarHBondContact O-N 3.2Å
310Y98.5Very high97.5Very high1 Ų159.9 Ų59.90%0.00431%0.314CS..Hα-helixtrans-59.9-37.2175.1-69.3-16.6000112.6Y254 I267 L275 V276 A279 Y295 V306 K307 L313 Q314 M315Y254-Y310 WeakPolarHBondContact OH-CB 3.28Å; I267-Y310 HydrophobicContact CD1-CE2 4.3Å; L275-Y310 HydrophobicContact CB-CD2 4.34Å; L275-Y310 HydrophobicContact CB-CE2 3.74Å; L275-Y310 HydrophobicContact CD1-CD2 4.29Å; L275-Y310 HydrophobicContact CD1-CE2 4.1Å; L275-Y310 HydrophobicContact CG-CE2 4.47Å; V276-Y310 VanDerWaalsContact CA-OH 3.32Å; V276-Y310 WeakPolarHBondContact CA-OH 3.42Å; V276-Y310 WeakPolarHBondContact CB-OH 3.47Å; V276-Y310 PolarHBondContact N-OH 3.26Å; A279-Y310 HydrophobicContact CB-CD1 4Å; A279-Y310 HydrophobicContact CB-CE1 3.74Å; Y295-Y310 VanDerWaalsContact CE2-OH 3.29Å; Y295-Y310 WeakPolarHBondContact CE2-OH 3.22Å; V306-Y310 HydrophobicContact CG1-CD2 4.27Å; V306-Y310 HydrophobicContact CG1-CE1 4.13Å; V306-Y310 HydrophobicContact CG1-CE2 3.8Å; V306-Y310 PolarHBondContact O-N 3.25Å; K307-Y310 PolarHBondContact O-N 3.18Å; Y310-L313 PolarHBondContact O-N 3.3Å; Y310-Q314 PolarHBondContact O-N 3.31Å; Y310-M315 HydrophobicContact CD1-CG 4.01Å; Y310-M315 HydrophobicContact CG-CG 4.01Å; Y310-M315 WeakPolarHBondContact O-CB 3.45Å; Y310-M315 VanDerWaalsContact O-CG 3.29Å; Y310-M315 WeakPolarHBondContact O-CG 3.44Å; Y310-M315 PolarHBondContact O-N 3.21Å
311N98.2Very high97.6Very high87 Ų8754.8 Ų54.847%0.46530%0.295SS..Hα-helixtrans-66.2-43.1174.7-67.6-24.6000111.8Y254 K307 E308 L309 L313 Q314Y254-N311 VanDerWaalsContact CE1-OD1 3.27Å; Y254-N311 WeakPolarHBondContact CE1-OD1 3.39Å; Y254-N311 PolarHBondContact OH-OD1 3.28Å; K307-N311 PolarHBondContact O-N 2.87Å; K307-N311 PolarHBondContact O-ND2 3.01Å; E308-N311 WeakPolarHBondContact O-CB 3.32Å; E308-N311 PolarHBondContact O-N 3.35Å; L309-N311 VanDerWaalsContact C-N 3.27Å; L309-N311 PolarHBondContact O-N 3.1Å; N311-L313 VanDerWaalsContact C-N 3.27Å; N311-L313 PolarHBondContact O-N 2.9Å; N311-Q314 PolarHBondContact O-N 3.21Å
312A97.8Very high97.5Very high69 Ų6953.4 Ų53.457%0.5728%0.277SS*.Hα-helixtrans-62.4-35176.100000112.3E308 L309 Q314E308-A312 PolarHBondContact O-N 3.24Å; L309-A312 PolarHBondContact O-N 3.2Å; L309-A312 VanDerWaalsContact O-N 3.17Å; A312-Q314 PolarHBondContact O-N 3.3Å
313L98.1Very high97.4Very high23 Ų2353.2 Ų53.212%0.1227%0.274CS..THydrogen-bonded Turntrans-78.2-0.6174.3-65.3175.6000113.7A279 V282 M283 L309 Y310 N311 M315A279-L313 HydrophobicContact CB-CD1 3.7Å; V282-L313 HydrophobicContact CG2-CD2 4.23Å; M283-L313 HydrophobicContact CB-CD1 4.16Å; M283-L313 HydrophobicContact CB-CD2 4.3Å; M283-L313 HydrophobicContact CE-CD1 4.37Å; L309-L313 HydrophobicContact CD1-CD1 4.19Å; L309-L313 HydrophobicContact CD1-CG 4.25Å; L309-L313 HydrophobicContact CG-CD1 4.13Å; L309-L313 WeakPolarHBondContact O-CG 3.4Å; L309-L313 PolarHBondContact O-N 3.2Å; Y310-L313 PolarHBondContact O-N 3.3Å; N311-L313 VanDerWaalsContact C-N 3.27Å; N311-L313 PolarHBondContact O-N 2.9Å; L313-M315 VanDerWaalsContact C-N 3.26Å; L313-M315 HydrophobicContact CB-CG 4.17Å; L313-M315 HydrophobicContact CB-SD 4.12Å; L313-M315 PolarHBondContact O-N 3.34Å
314Q97.8Very high97.3Very high110 Ų11055.9 Ų55.951%0.51429%0.286SS..THydrogen-bonded Turntrans56.337.1-176.9-52.6-175.66.300113.2Y310 N311 A312 P316 K317 L318Y310-Q314 PolarHBondContact O-N 3.31Å; N311-Q314 PolarHBondContact O-N 3.21Å; A312-Q314 PolarHBondContact O-N 3.3Å; Q314-P316 VanDerWaalsContact C-CD 3.46Å; Q314-P316 VanDerWaalsContact C-N 3.32Å; Q314-K317 HydrophobicContact CB-CB 4.21Å; Q314-K317 WeakPolarHBondContact O-CB 3.17Å; Q314-K317 PolarHBondContact O-N 3.36Å; Q314-L318 PolarHBondContact O-N 2.86Å; Q314-L318 VanDerWaalsContact O-N 3.17Å
315M98.1Very high97.2Very high0 Ų057.7 Ų57.70%029%0.288CS..Hα-helixtrans-52.8-39.7-179.9-66.8-50-5900114W274 L275 K278 A279 Y310 L313 K317 L318 Y319W274-M315 HydrophobicContact CH2-CE 4.35Å; W274-M315 HydrophobicContact CZ3-CE 3.97Å; L275-M315 HydrophobicContact CD2-CB 3.94Å; L275-M315 HydrophobicContact CD2-CE 3.99Å; L275-M315 HydrophobicContact CD2-CG 4.44Å; K278-M315 HydrophobicContact CB-CE 3.68Å; K278-M315 HydrophobicContact CG-CE 3.78Å; A279-M315 HydrophobicContact CB-SD 4.04Å; Y310-M315 HydrophobicContact CD1-CG 4.01Å; Y310-M315 HydrophobicContact CG-CG 4.01Å; Y310-M315 WeakPolarHBondContact O-CB 3.45Å; Y310-M315 VanDerWaalsContact O-CG 3.29Å; Y310-M315 WeakPolarHBondContact O-CG 3.44Å; Y310-M315 PolarHBondContact O-N 3.21Å; L313-M315 VanDerWaalsContact C-N 3.26Å; L313-M315 HydrophobicContact CB-CG 4.17Å; L313-M315 HydrophobicContact CB-SD 4.12Å; L313-M315 PolarHBondContact O-N 3.34Å; M315-K317 VanDerWaalsContact C-N 3.31Å; M315-K317 PolarHBondContact O-N 3.39Å; M315-L318 HydrophobicContact CE-CD1 4.36Å; M315-L318 PolarHBondContact O-N 3.48Å; M315-L318 HydrophobicContact SD-CD1 3.9Å; M315-Y319 PolarHBondContact O-N 3.41Å
316P97.6Very high96.9Very high33 Ų3352.5 Ų52.521%0.21427%0.265CS..Hα-helixtrans-58.3-39.1173.8-2837.2000114Y250 Y254 Q314 Y319 H320Y250-P316 HydrophobicContact CE2-CB 4.28Å; Y250-P316 HydrophobicContact CE2-CG 4.46Å; Y254-P316 HydrophobicContact CD1-CG 4.5Å; Y254-P316 HydrophobicContact CE1-CG 3.97Å; Y254-P316 HydrophobicContact CE2-CG 4.26Å; Q314-P316 VanDerWaalsContact C-CD 3.46Å; Q314-P316 VanDerWaalsContact C-N 3.32Å; P316-Y319 PolarHBondContact O-N 3.35Å; P316-H320 PolarHBondContact O-CD2 2.99Å; P316-H320 PolarHBondContact O-N 2.85Å
317K97.6Very high96.6Very high132 Ų13254.3 Ų54.357%0.57427%0.272SS*.Hα-helixtrans-66.5-44.8177.3-177-177.8174.4-175.20110.9Q314 M315 Y319 H320 T321Q314-K317 HydrophobicContact CB-CB 4.21Å; Q314-K317 WeakPolarHBondContact O-CB 3.17Å; Q314-K317 PolarHBondContact O-N 3.36Å; M315-K317 VanDerWaalsContact C-N 3.31Å; M315-K317 PolarHBondContact O-N 3.39Å; K317-Y319 VanDerWaalsContact C-N 3.31Å; K317-Y319 PolarHBondContact O-N 3.23Å; K317-H320 PolarHBondContact O-N 3.32Å; K317-T321 PolarHBondContact O-N 3.32Å; K317-T321 PolarHBondContact O-OG1 3.45Å
318L97.3Very high96.4Very high55 Ų5554.9 Ų54.929%0.28828%0.276SS..Hα-helixtrans-61-40.7176.9-66.2177.9000111.8W274 K278 Q314 M315 T321 Y322W274-L318 HydrophobicContact CH2-CB 4.36Å; K278-L318 HydrophobicContact CG-CD1 4.45Å; Q314-L318 PolarHBondContact O-N 2.86Å; Q314-L318 VanDerWaalsContact O-N 3.17Å; M315-L318 HydrophobicContact CE-CD1 4.36Å; M315-L318 PolarHBondContact O-N 3.48Å; M315-L318 HydrophobicContact SD-CD1 3.9Å; L318-T321 PolarHBondContact O-N 3.09Å; L318-Y322 WeakPolarHBondContact O-CB 3.48Å; L318-Y322 PolarHBondContact O-N 3.38Å
319Y97.4Very high96.2Very high7 Ų753.3 Ų53.33%0.02727%0.265CS..Hα-helixtrans-61-49.8175168.5-96.8000111.7I246 Q247 Y250 W274 M315 P316 K317 T321 Y322 E323I246-Y319 HydrophobicContact CG2-CD2 4.17Å; I246-Y319 HydrophobicContact CG2-CE2 4.2Å; Q247-Y319 HydrophobicContact CG-CE2 4.29Å; Q247-Y319 VanDerWaalsContact CG-OH 3.28Å; Q247-Y319 WeakPolarHBondContact CG-OH 3.49Å; Y250-Y319 AromaticContact CD1-CD1 3.74Å; Y250-Y319 HydrophobicContact CD1-CD1 3.74Å; Y250-Y319 HydrophobicContact CD1-CD2 4.26Å; Y250-Y319 AromaticContact CD1-CE1 3.54Å; Y250-Y319 HydrophobicContact CD1-CE1 3.54Å; Y250-Y319 HydrophobicContact CD1-CE2 4.07Å; Y250-Y319 HydrophobicContact CD1-CG 4.1Å; Y250-Y319 AromaticContact CD1-CZ 3.7Å; Y250-Y319 AromaticContact CD2-CD1 3.84Å; Y250-Y319 HydrophobicContact CD2-CD1 3.84Å; Y250-Y319 AromaticContact CD2-CD2 3.89Å; Y250-Y319 HydrophobicContact CD2-CD2 3.89Å; Y250-Y319 HydrophobicContact CD2-CE1 4.45Å; Y250-Y319 HydrophobicContact CD2-CE2 4.47Å; Y250-Y319 AromaticContact CD2-CG 3.53Å; Y250-Y319 HydrophobicContact CD2-CG 3.53Å; Y250-Y319 AromaticContact CE1-CD1 3.75Å; Y250-Y319 HydrophobicContact CE1-CD1 3.75Å; Y250-Y319 AromaticContact CE1-CE1 3.72Å; Y250-Y319 HydrophobicContact CE1-CE1 3.72Å; Y250-Y319 HydrophobicContact CE1-CG 4.42Å; Y250-Y319 AromaticContact CE2-CD1 3.88Å; Y250-Y319 HydrophobicContact CE2-CD1 3.88Å; Y250-Y319 AromaticContact CE2-CG 3.92Å; Y250-Y319 HydrophobicContact CE2-CG 3.92Å; Y250-Y319 AromaticContact CG-CD1 3.77Å; Y250-Y319 HydrophobicContact CG-CD1 3.77Å; Y250-Y319 AromaticContact CG-CD2 3.64Å; Y250-Y319 HydrophobicContact CG-CD2 3.64Å; Y250-Y319 AromaticContact CG-CE1 3.92Å; Y250-Y319 HydrophobicContact CG-CE1 3.92Å; Y250-Y319 AromaticContact CG-CE2 3.78Å; Y250-Y319 HydrophobicContact CG-CE2 3.78Å; Y250-Y319 AromaticContact CG-CG 3.63Å; Y250-Y319 HydrophobicContact CG-CG 3.63Å; Y250-Y319 AromaticContact CG-CZ 3.91Å; Y250-Y319 AromaticContact CZ-CD1 3.82Å; W274-Y319 HydrophobicContact CZ3-CD2 4.36Å; M315-Y319 PolarHBondContact O-N 3.41Å; P316-Y319 PolarHBondContact O-N 3.35Å; K317-Y319 VanDerWaalsContact C-N 3.31Å; K317-Y319 PolarHBondContact O-N 3.23Å; Y319-T321 VanDerWaalsContact C-N 3.31Å; Y319-T321 PolarHBondContact O-N 3.23Å; Y319-Y322 CarbonylContact O-C 3.52Å; Y319-Y322 PolarHBondContact O-N 2.87Å; Y319-Y322 VanDerWaalsContact O-N 3.11Å; Y319-E323 WeakPolarHBondContact O-CB 3.25Å; Y319-E323 PolarHBondContact O-N 3.37Å; Y319-E323 PolarHBondContact OH-OE1 3Å
320H96.4Very high95.9Very high100 Ų10052.5 Ų52.546%0.46326%0.261SS..Hα-helixtrans-64.4-34.2-179.9-71.5-52.6000113.1P316 K317 E323 E324P316-H320 PolarHBondContact O-CD2 2.99Å; P316-H320 PolarHBondContact O-N 2.85Å; K317-H320 PolarHBondContact O-N 3.32Å; H320-E323 IonicContact ND1-OE2 3.31Å; H320-E324 PolarHBondContact O-N 2.81Å
321T96.2Very high95.6Very high67 Ų6756.5 Ų56.541%0.41128%0.279SS..Hα-helixtrans-63.4-48.6170.2-61.80000111K317 L318 Y319 E323 E324 E325K317-T321 PolarHBondContact O-N 3.32Å; K317-T321 PolarHBondContact O-OG1 3.45Å; L318-T321 PolarHBondContact O-N 3.09Å; Y319-T321 VanDerWaalsContact C-N 3.31Å; Y319-T321 PolarHBondContact O-N 3.23Å; T321-E323 VanDerWaalsContact C-N 3.33Å; T321-E323 PolarHBondContact O-N 3.17Å; T321-E324 PolarHBondContact O-N 3.43Å; T321-E325 WeakPolarHBondContact O-CG 3.2Å; T321-E325 PolarHBondContact O-N 2.9Å
322Y95.3Very high95.3Very high32 Ų3259.4 Ų59.413%0.12529%0.288CS..Hα-helixtrans-60.5-41.1177.6177.4-88.1000112.3E242 F243 I246 W274 L318 Y319 E324 E325 S326E242-Y322 PolarHBondContact OE1-OH 2.9Å; E242-Y322 VanDerWaalsContact OE1-OH 3.09Å; F243-Y322 HydrophobicContact CD2-CE1 4.21Å; I246-Y322 HydrophobicContact CB-CE1 4.25Å; I246-Y322 HydrophobicContact CD1-CD1 4.29Å; I246-Y322 HydrophobicContact CD1-CE1 3.35Å; I246-Y322 HydrophobicContact CD1-CE2 4.17Å; I246-Y322 WeakPolarHBondContact CD1-OH 3.35Å; I246-Y322 HydrophobicContact CG1-CE1 4.38Å; I246-Y322 HydrophobicContact CG2-CD1 3.97Å; I246-Y322 HydrophobicContact CG2-CE1 3.93Å; W274-Y322 HydrophobicContact CZ2-CG 4.27Å; L318-Y322 WeakPolarHBondContact O-CB 3.48Å; L318-Y322 PolarHBondContact O-N 3.38Å; Y319-Y322 CarbonylContact O-C 3.52Å; Y319-Y322 PolarHBondContact O-N 2.87Å; Y319-Y322 VanDerWaalsContact O-N 3.11Å; Y322-E324 PolarHBondContact O-N 3.18Å; Y322-E325 PolarHBondContact O-N 3.45Å; Y322-S326 WeakPolarHBondContact O-CB 3.42Å; Y322-S326 PolarHBondContact O-N 3.45Å
323E94.9Very high95.1Very high11 Ų1158.1 Ų58.15%0.05127%0.271CS..Hα-helixtrans-58.4-46.6178.4172.1168.4-123.200111.7F243 Q247 Y319 H320 T321 Y327 Y354 K355F243-E323 HydrophobicContact CE2-CB 4.08Å; F243-E323 HydrophobicContact CE2-CG 3.88Å; F243-E323 HydrophobicContact CZ-CB 4.49Å; F243-E323 HydrophobicContact CZ-CG 3.8Å; Q247-E323 PolarHBondContact NE2-OE1 3.08Å; Q247-E323 VanDerWaalsContact NE2-OE1 3.15Å; Y319-E323 WeakPolarHBondContact O-CB 3.25Å; Y319-E323 PolarHBondContact O-N 3.37Å; Y319-E323 PolarHBondContact OH-OE1 3Å; H320-E323 IonicContact ND1-OE2 3.31Å; T321-E323 VanDerWaalsContact C-N 3.33Å; T321-E323 PolarHBondContact O-N 3.17Å; E323-Y327 WeakPolarHBondContact O-CB 3.34Å; E323-Y327 PolarHBondContact O-N 3.07Å; E323-Y354 HydrophobicContact CG-CD2 4.2Å; E323-Y354 HydrophobicContact CG-CE2 4.13Å; E323-K355 WeakPolarHBondContact OE1-CA 3.38Å; E323-K355 PolarHBondContact OE1-N 2.66Å
324E94.2Very high94.9Very high72 Ų7257.2 Ų57.234%0.33627%0.266SS..Hα-helixtrans-66.5-46178.1-174.757-146.900111.8H320 T321 Y322 S326 Y327 Q328 Y354H320-E324 PolarHBondContact O-N 2.81Å; T321-E324 PolarHBondContact O-N 3.43Å; Y322-E324 PolarHBondContact O-N 3.18Å; E324-S326 VanDerWaalsContact C-N 3.34Å; E324-S326 PolarHBondContact O-N 2.93Å; E324-Y327 PolarHBondContact O-N 3.31Å; E324-Q328 WeakPolarHBondContact O-CG 3.47Å; E324-Q328 PolarHBondContact O-N 3.03Å; E324-Q328 VanDerWaalsContact O-N 3.1Å; E324-Q328 PolarHBondContact OE1-NE2 3.42Å; E324-Y354 PolarHBondContact OE2-OH 3.1Å
325E94.7Very high94.5Very high96 Ų9655 Ų5545%0.44927%0.268SS..Hα-helixtrans-62.8-40.8177.5-70.4177.1177.500112.1T321 Y322 Q328 R329T321-E325 WeakPolarHBondContact O-CG 3.2Å; T321-E325 PolarHBondContact O-N 2.9Å; Y322-E325 PolarHBondContact O-N 3.45Å; E325-Q328 PolarHBondContact O-N 2.93Å; E325-R329 WeakPolarHBondContact O-CG 3.15Å; E325-R329 PolarHBondContact O-N 3.22Å
326S93.6Very high94.1Very high0 Ų063.4 Ų63.40%030%0.299CS..Hα-helixtrans-64.1-44.1178.5-168.10000111.2Y322 E324 Q328 R329 L330Y322-S326 WeakPolarHBondContact O-CB 3.42Å; Y322-S326 PolarHBondContact O-N 3.45Å; E324-S326 VanDerWaalsContact C-N 3.34Å; E324-S326 PolarHBondContact O-N 2.93Å; S326-Q328 VanDerWaalsContact C-N 3.34Å; S326-Q328 PolarHBondContact O-N 3.35Å; S326-R329 PolarHBondContact O-N 3.24Å; S326-L330 WeakPolarHBondContact O-CB 3.49Å; S326-L330 WeakPolarHBondContact O-CG 3.39Å; S326-L330 PolarHBondContact O-N 2.93Å
327Y91.9Very high93.6Very high39 Ų3963.3 Ų63.315%0.15330%0.296CS..Hα-helixtrans-59.8-43.6174.9-175.8-109.8000112.4E323 E324 L330 Q331 A350 Y354E323-Y327 WeakPolarHBondContact O-CB 3.34Å; E323-Y327 PolarHBondContact O-N 3.07Å; E324-Y327 PolarHBondContact O-N 3.31Å; Y327-L330 PolarHBondContact O-N 2.94Å; Y327-Q331 HydrophobicContact CE1-CG 4.27Å; Y327-Q331 WeakPolarHBondContact O-CG 3.48Å; Y327-Q331 PolarHBondContact O-N 3.17Å; Y327-Q331 PolarHBondContact OH-NE2 3.49Å; Y327-A350 HydrophobicContact CE2-CB 4.24Å; Y327-Y354 HydrophobicContact CD1-CD2 4.21Å; Y327-Y354 HydrophobicContact CD1-CE1 4.42Å; Y327-Y354 HydrophobicContact CD1-CE2 4.02Å; Y327-Y354 HydrophobicContact CD1-CG 4.48Å; Y327-Y354 HydrophobicContact CD2-CD1 4.27Å; Y327-Y354 AromaticContact CD2-CD2 3.63Å; Y327-Y354 HydrophobicContact CD2-CD2 3.63Å; Y327-Y354 HydrophobicContact CD2-CE2 4.27Å; Y327-Y354 AromaticContact CD2-CG 3.61Å; Y327-Y354 HydrophobicContact CD2-CG 3.61Å; Y327-Y354 HydrophobicContact CE1-CE1 4.48Å; Y327-Y354 HydrophobicContact CE2-CD1 4.23Å; Y327-Y354 HydrophobicContact CE2-CD2 4.39Å; Y327-Y354 AromaticContact CE2-CG 3.94Å; Y327-Y354 HydrophobicContact CE2-CG 3.94Å; Y327-Y354 HydrophobicContact CG-CD1 4.45Å; Y327-Y354 AromaticContact CG-CD2 3.52Å; Y327-Y354 HydrophobicContact CG-CD2 3.52Å; Y327-Y354 AromaticContact CG-CE2 3.71Å; Y327-Y354 HydrophobicContact CG-CE2 3.71Å; Y327-Y354 AromaticContact CG-CG 3.91Å; Y327-Y354 HydrophobicContact CG-CG 3.91Å
328Q92.7Very high92.9Very high84 Ų8457.1 Ų57.139%0.39327%0.269SS..Hα-helixtrans-65.5-39.3176.3-67.6175.315.500112.6E324 E325 S326 Q331 K332E324-Q328 WeakPolarHBondContact O-CG 3.47Å; E324-Q328 PolarHBondContact O-N 3.03Å; E324-Q328 VanDerWaalsContact O-N 3.1Å; E324-Q328 PolarHBondContact OE1-NE2 3.42Å; E325-Q328 PolarHBondContact O-N 2.93Å; S326-Q328 VanDerWaalsContact C-N 3.34Å; S326-Q328 PolarHBondContact O-N 3.35Å; Q328-Q331 PolarHBondContact O-N 2.96Å; Q328-K332 WeakPolarHBondContact O-CG 3.14Å; Q328-K332 PolarHBondContact O-N 3.43Å
329R93.3Very high91.8Very high85 Ų8561.8 Ų61.832%0.32129%0.289SS..Hα-helixtrans-61.5-45.4173.1-75.1-166.5-56.2-86.60.9111.2E239 E325 S326 Q331 K332 L333E239-R329 IonicContact OE1-NE 3.95Å; E239-R329 PolarHBondContact OE1-NE 3.21Å; E239-R329 IonicContact OE1-NH2 3.34Å; E325-R329 WeakPolarHBondContact O-CG 3.15Å; E325-R329 PolarHBondContact O-N 3.22Å; S326-R329 PolarHBondContact O-N 3.24Å; R329-Q331 PolarHBondContact O-N 3.35Å; R329-K332 PolarHBondContact O-N 2.9Å; R329-K332 VanDerWaalsContact O-N 3.17Å; R329-L333 WeakPolarHBondContact O-CG 3.44Å; R329-L333 PolarHBondContact O-N 3.04Å
330L93.5Very high91.1Very high0 Ų066.1 Ų66.10%031%0.313CS..Hα-helixtrans-59.1-44.7177.1-75.7173.2000111.9E239 M240 F243 S326 Y327 K332 L333 I334E239-L330 HydrophobicContact CB-CD2 3.77Å; E239-L330 HydrophobicContact CG-CD2 3.56Å; E239-L330 HydrophobicContact CG-CG 4.22Å; M240-L330 HydrophobicContact CB-CD2 4.4Å; M240-L330 HydrophobicContact CE-CD2 4.35Å; M240-L330 HydrophobicContact CG-CD1 4.06Å; M240-L330 HydrophobicContact CG-CD2 3.51Å; M240-L330 HydrophobicContact CG-CG 4.42Å; F243-L330 HydrophobicContact CD1-CD1 3.97Å; S326-L330 WeakPolarHBondContact O-CB 3.49Å; S326-L330 WeakPolarHBondContact O-CG 3.39Å; S326-L330 PolarHBondContact O-N 2.93Å; Y327-L330 PolarHBondContact O-N 2.94Å; L330-K332 VanDerWaalsContact C-N 3.31Å; L330-K332 PolarHBondContact O-N 2.98Å; L330-L333 PolarHBondContact O-N 3.05Å; L330-I334 VanDerWaalsContact O-CG1 3.23Å; L330-I334 WeakPolarHBondContact O-CG1 3.33Å; L330-I334 PolarHBondContact O-N 3.39Å
331Q91.7Very high90.8Very high84 Ų8461.8 Ų61.839%0.39329%0.293SS..Hα-helixtrans-58.9-41.9175.9-72.2-174.7-38.200112.4Y327 Q328 R329 A335Y327-Q331 HydrophobicContact CE1-CG 4.27Å; Y327-Q331 WeakPolarHBondContact O-CG 3.48Å; Y327-Q331 PolarHBondContact O-N 3.17Å; Y327-Q331 PolarHBondContact OH-NE2 3.49Å; Q328-Q331 PolarHBondContact O-N 2.96Å; R329-Q331 PolarHBondContact O-N 3.35Å; Q331-A335 PolarHBondContact O-N 3.34Å; Q331-A335 VanDerWaalsContact O-N 3.07Å
332K92.4Very high90.5Very high149 Ų14960.7 Ų60.765%0.64829%0.287SS*.Hα-helixtrans-66.7-41.2176.4-68.9171.9-176.8173.50112.2Q328 R329 L330 A335 R336Q328-K332 WeakPolarHBondContact O-CG 3.14Å; Q328-K332 PolarHBondContact O-N 3.43Å; R329-K332 PolarHBondContact O-N 2.9Å; R329-K332 VanDerWaalsContact O-N 3.17Å; L330-K332 VanDerWaalsContact C-N 3.31Å; L330-K332 PolarHBondContact O-N 2.98Å; K332-A335 PolarHBondContact O-N 3.23Å; K332-R336 WeakPolarHBondContact O-CB 3.29Å; K332-R336 PolarHBondContact O-N 3.22Å
333L92.8Very high90.3Very high42 Ų4262.9 Ų62.922%0.2230%0.298CS..Hα-helixtrans-62.9-43.9176.4-76172.6000111.5I236 E239 R329 L330 R336 H337I236-L333 HydrophobicContact CG1-CB 4.4Å; E239-L333 HydrophobicContact CB-CD1 3.88Å; E239-L333 HydrophobicContact CG-CD1 3.78Å; R329-L333 WeakPolarHBondContact O-CG 3.44Å; R329-L333 PolarHBondContact O-N 3.04Å; L330-L333 PolarHBondContact O-N 3.05Å; L333-R336 PolarHBondContact O-N 3.14Å; L333-H337 WeakPolarHBondContact O-CB 3.44Å; L333-H337 PolarHBondContact O-N 3.49Å
334I92.8Very high90.1Very high3 Ų364 Ų642%0.01531%0.308CS..Hα-helixtrans-58.8-51.3176.1-67.5164.9000110I236 M240 L330 R336 H337 A338 H343 F346 L347I236-I334 HydrophobicContact CD1-CG1 4.44Å; I236-I334 HydrophobicContact CG2-CG1 3.75Å; M240-I334 HydrophobicContact CE-CD1 3.79Å; M240-I334 HydrophobicContact CE-CG1 4.33Å; L330-I334 VanDerWaalsContact O-CG1 3.23Å; L330-I334 WeakPolarHBondContact O-CG1 3.33Å; L330-I334 PolarHBondContact O-N 3.39Å; I334-R336 PolarHBondContact O-N 3.23Å; I334-H337 PolarHBondContact O-N 3.34Å; I334-A338 HydrophobicContact CG2-CB 4.26Å; I334-A338 WeakPolarHBondContact O-CB 3.46Å; I334-A338 PolarHBondContact O-N 3.45Å; I334-H343 HydrophobicContact CG2-CB 4.2Å; I334-F346 HydrophobicContact CD1-CB 3.67Å; I334-F346 HydrophobicContact CG1-CB 3.63Å; I334-F346 HydrophobicContact CG1-CG 4.36Å; I334-F346 HydrophobicContact CG2-CB 4.18Å; I334-F346 HydrophobicContact CG2-CD2 4.49Å; I334-L347 HydrophobicContact CD1-CD2 4.01Å; I334-L347 HydrophobicContact CD1-CG 4.5Å; I334-L347 HydrophobicContact CG2-CG 4.45Å
335A90.3Very high89.9Confident65 Ų6560.8 Ų60.854%0.53729%0.292SS..Hα-helixtrans-60.1-30.8179.300000113.1Q331 K332Q331-A335 PolarHBondContact O-N 3.34Å; Q331-A335 VanDerWaalsContact O-N 3.07Å; K332-A335 PolarHBondContact O-N 3.23Å
336R89.5Confident89.8Confident176 Ų17656.2 Ų56.266%0.66427%0.271SS*.Hα-helixtrans-80.7-44.2-179.8-175.7177-178.4179.4-0.1113.2K332 L333 I334 Q339K332-R336 WeakPolarHBondContact O-CB 3.29Å; K332-R336 PolarHBondContact O-N 3.22Å; L333-R336 PolarHBondContact O-N 3.14Å; I334-R336 PolarHBondContact O-N 3.23Å; R336-Q339 PolarHBondContact O-NE2 3.47Å
337H86.6Confident89.6Confident31 Ų3159 Ų5914%0.14429%0.286CS..Hα-helixtrans-105.3-16.9-165.6-70.9-75.2000114.4N232 I236 L333 I334 Q339N232-H337 HydrophobicContact CB-CB 4.27Å; N232-H337 WeakPolarHBondContact CB-O 3.33Å; N232-H337 PolarHBondContact OD1-ND1 2.88Å; N232-H337 VanDerWaalsContact OD1-ND1 3.12Å; I236-H337 HydrophobicContact CD1-CB 3.85Å; I236-H337 HydrophobicContact CG1-CB 4.03Å; L333-H337 WeakPolarHBondContact O-CB 3.44Å; L333-H337 PolarHBondContact O-N 3.49Å; I334-H337 PolarHBondContact O-N 3.34Å; H337-Q339 PolarHBondContact O-N 2.91Å; H337-Q339 VanDerWaalsContact O-N 3.09Å
338A82.9Confident89.3Confident1 Ų160.4 Ų60.41%0.00830%0.296CS..  trans-82.228.4179.900000113.4I236 I334 N340 L341 H343 F346I236-A338 HydrophobicContact CD1-CB 4.33Å; I334-A338 HydrophobicContact CG2-CB 4.26Å; I334-A338 WeakPolarHBondContact O-CB 3.46Å; I334-A338 PolarHBondContact O-N 3.45Å; A338-N340 VanDerWaalsContact C-N 3.3Å; A338-N340 PolarHBondContact O-N 2.95Å; A338-L341 PolarHBondContact O-N 3.46Å; A338-H343 WeakPolarHBondContact CB-ND1 3.45Å; A338-H343 PolarHBondContact O-CE1 3.41Å; A338-H343 PolarHBondContact O-ND1 2.8Å; A338-F346 HydrophobicContact CB-CD2 3.86Å; A338-F346 HydrophobicContact CB-CE2 3.76Å
339Q75.4Confident88.9Confident153 Ų15357.1 Ų57.172%0.71528%0.281SS*.THydrogen-bonded Turntrans-62-36.6-172.4-63.7-167.61000113.2R336 H337R336-Q339 PolarHBondContact O-NE2 3.47Å; H337-Q339 PolarHBondContact O-N 2.91Å; H337-Q339 VanDerWaalsContact O-N 3.09Å
340N83.1Confident88.5Confident98 Ų9853.2 Ų53.252%0.52427%0.266SS..THydrogen-bonded Turntrans-106.99.7179.9-60.8-24.3000113E229 A338E229-N340 HydrophobicContact CG-CB 4.06Å; A338-N340 VanDerWaalsContact C-N 3.3Å; A338-N340 PolarHBondContact O-N 2.95Å
341L89.7Confident88.1Confident9 Ų959.8 Ų59.85%0.04730%0.295CS..SBendtrans-129.4140.8-178.9-66.7173.3000110.1L76 M219 I224 A233 A338 H343 F346L76-L341 HydrophobicContact CD2-CD2 4Å; M219-L341 HydrophobicContact CE-CD1 3.92Å; M219-L341 HydrophobicContact CE-CD2 4.07Å; M219-L341 HydrophobicContact SD-CD1 4.25Å; I224-L341 HydrophobicContact CD1-CD2 4.11Å; A233-L341 HydrophobicContact CB-CD1 3.88Å; A338-L341 PolarHBondContact O-N 3.46Å; L341-H343 PolarHBondContact O-N 3.23Å; L341-H343 PolarHBondContact O-ND1 3.17Å; L341-F346 HydrophobicContact CB-CE2 3.98Å; L341-F346 HydrophobicContact CB-CZ 4.42Å; L341-F346 HydrophobicContact CD1-CE2 4.27Å; L341-F346 HydrophobicContact CD1-CZ 3.89Å
342P89.8Confident87.7Confident44 Ų4460.9 Ų60.929%0.28630%0.298SS..  trans-54.5119.2175.1-2330.8000111.1E75 L76 S344 I345E75-P342 HydrophobicContact CB-CB 4.36Å; E75-P342 VanDerWaalsContact O-CG 3.31Å; E75-P342 WeakPolarHBondContact O-CG 3.49Å; L76-P342 HydrophobicContact CD2-CG 4.29Å; P342-S344 WeakPolarHBondContact CB-OG 3.47Å; P342-S344 PolarHBondContact O-N 3.36Å; P342-S344 VanDerWaalsContact O-N 3.14Å; P342-I345 HydrophobicContact CB-CD1 4.08Å; P342-I345 HydrophobicContact CB-CG1 4.22Å; P342-I345 HydrophobicContact CG-CD1 4.05Å; P342-I345 WeakPolarHBondContact O-CB 3.44Å; P342-I345 PolarHBondContact O-N 3.32Å; P342-I345 VanDerWaalsContact O-N 3.13Å
343H90.5Very high87.4Confident78 Ų7854.2 Ų54.236%0.36127%0.27SS..Hα-helixtrans-60.4-27.4-180-70.844000111.8I334 A338 L341 I345 F346 L347I334-H343 HydrophobicContact CG2-CB 4.2Å; A338-H343 WeakPolarHBondContact CB-ND1 3.45Å; A338-H343 PolarHBondContact O-CE1 3.41Å; A338-H343 PolarHBondContact O-ND1 2.8Å; L341-H343 PolarHBondContact O-N 3.23Å; L341-H343 PolarHBondContact O-ND1 3.17Å; H343-I345 PolarHBondContact O-N 3.11Å; H343-F346 PolarHBondContact O-N 3.48Å; H343-L347 HydrophobicContact CB-CD1 4.25Å; H343-L347 WeakPolarHBondContact O-CG 3.43Å; H343-L347 PolarHBondContact O-N 3.04Å
344S89.9Confident87Confident35 Ų3554.3 Ų54.325%0.24527%0.267CS..Hα-helixtrans-53.9-36.6176.447.90000112.6E75 P342 F346 L347 N348E75-S344 VanDerWaalsContact CD-OG 3.3Å; E75-S344 VanDerWaalsContact OE2-CB 3.23Å; E75-S344 WeakPolarHBondContact OE2-CB 3.48Å; E75-S344 PolarHBondContact OE2-OG 3.23Å; P342-S344 WeakPolarHBondContact CB-OG 3.47Å; P342-S344 PolarHBondContact O-N 3.36Å; P342-S344 VanDerWaalsContact O-N 3.14Å; S344-F346 PolarHBondContact O-N 3.35Å; S344-L347 PolarHBondContact O-N 3.02Å; S344-N348 WeakPolarHBondContact O-CB 3.38Å; S344-N348 PolarHBondContact O-N 2.58Å; S344-N348 PolarHBondContact O-ND2 2.9Å
345I91.4Very high86.5Confident4 Ų460 Ų602%0.02129%0.292CS..Hα-helixtrans-53.7-57.5176.1-64.3167000109.2S72 E75 L76 V215 P342 H343 F349S72-I345 WeakPolarHBondContact OG-CG2 3.43Å; E75-I345 HydrophobicContact CB-CD1 4.14Å; E75-I345 HydrophobicContact CB-CG1 3.54Å; E75-I345 HydrophobicContact CG-CG1 4.06Å; L76-I345 HydrophobicContact CD1-CD1 4.38Å; L76-I345 HydrophobicContact CD2-CD1 3.47Å; L76-I345 VanDerWaalsContact CD2-CD1 3.47Å; L76-I345 HydrophobicContact CG-CD1 3.66Å; V215-I345 HydrophobicContact CG1-CG2 3.93Å; V215-I345 HydrophobicContact CG2-CG2 4.27Å; P342-I345 HydrophobicContact CB-CD1 4.08Å; P342-I345 HydrophobicContact CB-CG1 4.22Å; P342-I345 HydrophobicContact CG-CD1 4.05Å; P342-I345 WeakPolarHBondContact O-CB 3.44Å; P342-I345 PolarHBondContact O-N 3.32Å; P342-I345 VanDerWaalsContact O-N 3.13Å; H343-I345 PolarHBondContact O-N 3.11Å; I345-F349 WeakPolarHBondContact O-CD2 3.4Å; I345-F349 PolarHBondContact O-N 3.01Å
346F93.1Very high86Confident1 Ų158.4 Ų58.40%0.00427%0.272CS..Hα-helixtrans-72.1-38.6-176.1-52.3-72.5000112.6A233 I236 L237 M240 I334 A338 L341 H343 S344 N348 F349 A350A233-F346 HydrophobicContact CB-CE1 4.22Å; A233-F346 HydrophobicContact CB-CZ 4.05Å; I236-F346 HydrophobicContact CB-CD1 4.06Å; I236-F346 HydrophobicContact CB-CE1 4.18Å; I236-F346 HydrophobicContact CD1-CD1 4.09Å; I236-F346 HydrophobicContact CD1-CD2 3.99Å; I236-F346 HydrophobicContact CD1-CE1 3.99Å; I236-F346 HydrophobicContact CD1-CE2 3.9Å; I236-F346 HydrophobicContact CD1-CG 4.08Å; I236-F346 HydrophobicContact CD1-CZ 3.9Å; I236-F346 HydrophobicContact CG2-CB 4.13Å; I236-F346 HydrophobicContact CG2-CD1 3.58Å; I236-F346 HydrophobicContact CG2-CE1 4.21Å; I236-F346 HydrophobicContact CG2-CG 3.96Å; L237-F346 HydrophobicContact CD1-CE1 4.11Å; L237-F346 HydrophobicContact CD2-CD1 4.03Å; L237-F346 HydrophobicContact CD2-CE1 4.17Å; L237-F346 HydrophobicContact CG-CD1 4.22Å; L237-F346 HydrophobicContact CG-CE1 3.95Å; M240-F346 HydrophobicContact CE-CB 3.98Å; M240-F346 WeakPolarHBondContact CE-O 3.39Å; I334-F346 HydrophobicContact CD1-CB 3.67Å; I334-F346 HydrophobicContact CG1-CB 3.63Å; I334-F346 HydrophobicContact CG1-CG 4.36Å; I334-F346 HydrophobicContact CG2-CB 4.18Å; I334-F346 HydrophobicContact CG2-CD2 4.49Å; A338-F346 HydrophobicContact CB-CD2 3.86Å; A338-F346 HydrophobicContact CB-CE2 3.76Å; L341-F346 HydrophobicContact CB-CE2 3.98Å; L341-F346 HydrophobicContact CB-CZ 4.42Å; L341-F346 HydrophobicContact CD1-CE2 4.27Å; L341-F346 HydrophobicContact CD1-CZ 3.89Å; H343-F346 PolarHBondContact O-N 3.48Å; S344-F346 PolarHBondContact O-N 3.35Å; F346-N348 VanDerWaalsContact C-N 3.33Å; F346-N348 PolarHBondContact O-N 3.04Å; F346-F349 PolarHBondContact O-N 3.46Å; F346-A350 WeakPolarHBondContact O-CB 3.33Å; F346-A350 PolarHBondContact O-N 3.29Å
347L88.5Confident84.7Confident57 Ų5756.6 Ų56.630%0.29828%0.276SS..Hα-helixtrans-65.2-36.4179.2-69.7172.5000112.3I334 H343 S344 F349 A350 K351I334-L347 HydrophobicContact CD1-CD2 4.01Å; I334-L347 HydrophobicContact CD1-CG 4.5Å; I334-L347 HydrophobicContact CG2-CG 4.45Å; H343-L347 HydrophobicContact CB-CD1 4.25Å; H343-L347 WeakPolarHBondContact O-CG 3.43Å; H343-L347 PolarHBondContact O-N 3.04Å; S344-L347 PolarHBondContact O-N 3.02Å; L347-F349 VanDerWaalsContact C-N 3.35Å; L347-A350 PolarHBondContact O-N 3.01Å; L347-K351 WeakPolarHBondContact O-CB 3.33Å; L347-K351 VanDerWaalsContact O-CG 3.29Å; L347-K351 WeakPolarHBondContact O-CG 3.49Å; L347-K351 PolarHBondContact O-N 3.09Å
348N85.4Confident83.3Confident70 Ų7060.3 Ų60.337%0.37429%0.291SS..Hα-helixtrans-65.8-38.7176.3-72.7-19.8000111.5S344 F346 K352S344-N348 WeakPolarHBondContact O-CB 3.38Å; S344-N348 PolarHBondContact O-N 2.58Å; S344-N348 PolarHBondContact O-ND2 2.9Å; F346-N348 VanDerWaalsContact C-N 3.33Å; F346-N348 PolarHBondContact O-N 3.04Å; N348-K352 WeakPolarHBondContact O-CG 3.38Å; N348-K352 PolarHBondContact O-N 3.22Å
349F84.1Confident83.3Confident15 Ų1563.3 Ų63.37%0.06631%0.305CS..Hα-helixtrans-64.8-50.6171.2-90.1-95.1000112S68 F211 V215 M240 I345 F346 L347 K351 K352 I353S68-F349 VanDerWaalsContact OG-CE1 3.28Å; S68-F349 WeakPolarHBondContact OG-CE1 3.4Å; S68-F349 WeakPolarHBondContact OG-CE2 3.35Å; S68-F349 WeakPolarHBondContact OG-CZ 3.47Å; F211-F349 AromaticContact CD1-CD1 3.81Å; F211-F349 HydrophobicContact CD1-CD1 3.81Å; F211-F349 HydrophobicContact CD1-CE1 4.05Å; F211-F349 AromaticContact CE1-CD1 3.97Å; F211-F349 HydrophobicContact CE1-CD1 3.97Å; F211-F349 HydrophobicContact CE1-CE1 4.46Å; V215-F349 HydrophobicContact CG2-CE2 3.6Å; V215-F349 HydrophobicContact CG2-CZ 3.71Å; M240-F349 HydrophobicContact SD-CB 3.91Å; I345-F349 WeakPolarHBondContact O-CD2 3.4Å; I345-F349 PolarHBondContact O-N 3.01Å; F346-F349 PolarHBondContact O-N 3.46Å; L347-F349 VanDerWaalsContact C-N 3.35Å; F349-K351 VanDerWaalsContact C-N 3.27Å; F349-K351 PolarHBondContact O-N 2.9Å; F349-K352 WeakPolarHBondContact O-CB 3.48Å; F349-K352 PolarHBondContact O-N 3.35Å; F349-I353 PolarHBondContact O-N 3.39Å
350A85.8Confident83.7Confident2 Ų258.5 Ų58.52%0.01728%0.284CS..Hα-helixtrans-54.9-42.9-179.100000111.9M240 Y327 F346 L347 K352 I353 Y354M240-A350 HydrophobicContact CE-CB 4.03Å; Y327-A350 HydrophobicContact CE2-CB 4.24Å; F346-A350 WeakPolarHBondContact O-CB 3.33Å; F346-A350 PolarHBondContact O-N 3.29Å; L347-A350 PolarHBondContact O-N 3.01Å; A350-K352 VanDerWaalsContact C-N 3.33Å; A350-K352 PolarHBondContact O-N 2.79Å; A350-I353 WeakPolarHBondContact O-CG1 3.39Å; A350-I353 PolarHBondContact O-N 3.06Å; A350-Y354 VanDerWaalsContact O-CB 3.27Å; A350-Y354 WeakPolarHBondContact O-CB 3.43Å; A350-Y354 PolarHBondContact O-N 3.34Å
351K84.8Confident83.8Confident139 Ų13956.3 Ų56.360%0.60427%0.27SS*.Hα-helixtrans-65.3-32176.6-73.9173.5-177.1175.70113.7L347 F349L347-K351 WeakPolarHBondContact O-CB 3.33Å; L347-K351 VanDerWaalsContact O-CG 3.29Å; L347-K351 WeakPolarHBondContact O-CG 3.49Å; L347-K351 PolarHBondContact O-N 3.09Å; F349-K351 VanDerWaalsContact C-N 3.27Å; F349-K351 PolarHBondContact O-N 2.9Å
352K83.6Confident83.4Confident106 Ų10659.1 Ų59.146%0.46128%0.284SS..Hα-helixtrans-74.6-27.5178.4-75.4178.1-178.7-178.40112.7N348 F349 A350N348-K352 WeakPolarHBondContact O-CG 3.38Å; N348-K352 PolarHBondContact O-N 3.22Å; F349-K352 WeakPolarHBondContact O-CB 3.48Å; F349-K352 PolarHBondContact O-N 3.35Å; A350-K352 VanDerWaalsContact C-N 3.33Å; A350-K352 PolarHBondContact O-N 2.79Å
353I84.6Confident83Confident10 Ų1060.1 Ų60.15%0.05128%0.283CS..Hα-helixtrans-96.3-36.9-177.664.4179.6000112.6F211 M240 F243 F244 Q247 F349 A350 K355 R356F211-I353 HydrophobicContact CE1-CD1 4.24Å; F211-I353 HydrophobicContact CE1-CG2 4.05Å; F211-I353 HydrophobicContact CZ-CG2 4.07Å; M240-I353 HydrophobicContact CB-CD1 4.04Å; M240-I353 HydrophobicContact CG-CD1 4.22Å; F243-I353 HydrophobicContact CD1-CD1 3.71Å; F243-I353 HydrophobicContact CD1-CG1 4.02Å; F243-I353 HydrophobicContact CE1-CB 4.5Å; F243-I353 HydrophobicContact CE1-CD1 4.18Å; F243-I353 HydrophobicContact CE1-CG1 3.96Å; F244-I353 HydrophobicContact CD2-CG2 3.95Å; Q247-I353 PolarHBondContact NE2-O 3.45Å; Q247-I353 PolarHBondContact OE1-O 2.91Å; Q247-I353 VanDerWaalsContact OE1-O 3.09Å; F349-I353 PolarHBondContact O-N 3.39Å; A350-I353 WeakPolarHBondContact O-CG1 3.39Å; A350-I353 PolarHBondContact O-N 3.06Å; I353-K355 PolarHBondContact O-N 3.39Å; I353-R356 WeakPolarHBondContact O-CB 3.42Å; I353-R356 PolarHBondContact O-N 3.39Å
354Y85.4Confident82.5Confident44 Ų4458.9 Ų58.917%0.17328%0.278CS..THydrogen-bonded Turntrans-62.2126.2-179.6178.9-113.3000111.6E323 E324 Y327 A350 R356E323-Y354 HydrophobicContact CG-CD2 4.2Å; E323-Y354 HydrophobicContact CG-CE2 4.13Å; E324-Y354 PolarHBondContact OE2-OH 3.1Å; Y327-Y354 HydrophobicContact CD1-CD2 4.21Å; Y327-Y354 HydrophobicContact CD1-CE1 4.42Å; Y327-Y354 HydrophobicContact CD1-CE2 4.02Å; Y327-Y354 HydrophobicContact CD1-CG 4.48Å; Y327-Y354 HydrophobicContact CD2-CD1 4.27Å; Y327-Y354 AromaticContact CD2-CD2 3.63Å; Y327-Y354 HydrophobicContact CD2-CD2 3.63Å; Y327-Y354 HydrophobicContact CD2-CE2 4.27Å; Y327-Y354 AromaticContact CD2-CG 3.61Å; Y327-Y354 HydrophobicContact CD2-CG 3.61Å; Y327-Y354 HydrophobicContact CE1-CE1 4.48Å; Y327-Y354 HydrophobicContact CE2-CD1 4.23Å; Y327-Y354 HydrophobicContact CE2-CD2 4.39Å; Y327-Y354 AromaticContact CE2-CG 3.94Å; Y327-Y354 HydrophobicContact CE2-CG 3.94Å; Y327-Y354 HydrophobicContact CG-CD1 4.45Å; Y327-Y354 AromaticContact CG-CD2 3.52Å; Y327-Y354 HydrophobicContact CG-CD2 3.52Å; Y327-Y354 AromaticContact CG-CE2 3.71Å; Y327-Y354 HydrophobicContact CG-CE2 3.71Å; Y327-Y354 AromaticContact CG-CG 3.91Å; Y327-Y354 HydrophobicContact CG-CG 3.91Å; A350-Y354 VanDerWaalsContact O-CB 3.27Å; A350-Y354 WeakPolarHBondContact O-CB 3.43Å; A350-Y354 PolarHBondContact O-N 3.34Å; Y354-R356 PolarHBondContact O-N 3Å
355K82.8Confident82Confident122 Ų12260.6 Ų60.653%0.5328%0.281SS..THydrogen-bonded Turntrans53.832.4-177.7-64.5179.3169.6159.80113.7E323 I353 N357E323-K355 WeakPolarHBondContact OE1-CA 3.38Å; E323-K355 PolarHBondContact OE1-N 2.66Å; I353-K355 PolarHBondContact O-N 3.39Å; K355-N357 PolarHBondContact O-N 3.22Å
356R78.9Confident81.3Confident31 Ų3164.9 Ų64.912%0.11730%0.301CS..  trans-67.9133.6175.786.6-174.1177.5121.7-3.7109.3F244 D248 I353 Y354 K358F244-R356 VanDerWaalsContact CE2-NH2 3.35Å; D248-R356 IonicContact OD1-NH2 3.83Å; I353-R356 WeakPolarHBondContact O-CB 3.42Å; I353-R356 PolarHBondContact O-N 3.39Å; Y354-R356 PolarHBondContact O-N 3Å; R356-K358 VanDerWaalsContact C-N 3.33Å; R356-K358 WeakPolarHBondContact CD-O 3.3Å; R356-K358 WeakPolarHBondContact CG-O 3.38Å; R356-K358 PolarHBondContact NH1-O 2.77Å; R356-K358 PolarHBondContact NH1-OXT 3.46Å
357N62.8Low80.3Confident139 Ų13970.3 Ų70.374%0.74333%0.325SS*.  trans-88.6-1.6173-64.5-24.5000112.6V259 K355V259-N357 WeakPolarHBondContact CG1-O 3.44Å; K355-N357 PolarHBondContact O-N 3.22Å
358K57.1Low79.6Confident108 Ų10871.5 Ų71.547%0.4733%0.328SS..  trans-155.20-179.8-176179.5-178.5141.60111.9K62 V259 R356K62-K358 VanDerWaalsContact CE-CG 3.5Å; K62-K358 VanDerWaalsContact NZ-CB 3.34Å; K62-K358 PolarHBondContact NZ-O 3.09Å; V259-K358 HydrophobicContact CG1-CB 4.01Å; V259-K358 HydrophobicContact CG1-CG 4.42Å; V259-K358 WeakPolarHBondContact O-CD 3.36Å; V259-K358 WeakPolarHBondContact O-CE 3.49Å; V259-K358 WeakPolarHBondContact O-CG 3.15Å; V259-K358 PolarHBondContact O-NZ 3.38Å; R356-K358 VanDerWaalsContact C-N 3.33Å; R356-K358 WeakPolarHBondContact CD-O 3.3Å; R356-K358 WeakPolarHBondContact CG-O 3.38Å; R356-K358 PolarHBondContact NH1-O 2.77Å; R356-K358 PolarHBondContact NH1-OXT 3.46Å

Retrieved 358 of 358 residues in 117.8 ms (Link to these results)

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