A0A3Q0KQK4_SCHMA Loading...

Mannose-P-dolichol utilization defect 1 protein homolog

AlphaFold DB , UniProt , Accession A0A3Q0KQK4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 263 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
1M57.4Low81.5Confident197 Ų19779.8 Ų79.897%0.9744%0.437SS*.  0114.70-172.2176.7-72.600106.2D5 L6M1-D5 HydrophobicContact CG-CB 3.99Å; M1-L6 HydrophobicContact SD-CD1 4.34Å
2A79.6Confident81.9Confident50 Ų5078 Ų7841%0.41344%0.435SS..  trans-71.2155.117900000109.6E4 D5 L6A2-E4 HydrophobicContact CB-CB 4.44Å; A2-E4 PolarHBondContact O-N 3.06Å; A2-D5 PolarHBondContact N-OD2 3.26Å; A2-D5 WeakPolarHBondContact O-CB 3.42Å; A2-D5 PolarHBondContact O-N 2.67Å; A2-L6 PolarHBondContact O-N 3.13Å
3L79.7Confident82.3Confident112 Ų11282.5 Ų82.559%0.58645%0.447SS*.Hα-helixtrans-53.5-37.6172.4177.463.1000110.9D5 L6 I7 F16L3-D5 VanDerWaalsContact C-N 3.32Å; L3-D5 PolarHBondContact O-N 3.27Å; L3-L6 PolarHBondContact O-N 3.25Å; L3-I7 HydrophobicContact CD1-CG2 4.17Å; L3-I7 HydrophobicContact CG-CD1 4.47Å; L3-I7 WeakPolarHBondContact O-CG1 3.06Å; L3-I7 PolarHBondContact O-N 3.39Å; L3-I7 VanDerWaalsContact O-N 3.12Å; L3-F16 HydrophobicContact CD2-CE2 4.5Å; L3-F16 HydrophobicContact CD2-CZ 4.29Å
4E78.2Confident82.6Confident85 Ų8586.1 Ų86.140%0.39746%0.46SS..Hα-helixtrans-57-41.2175.5-65-175.1-177.100112.9A2 L6 S8 F16A2-E4 HydrophobicContact CB-CB 4.44Å; A2-E4 PolarHBondContact O-N 3.06Å; E4-L6 VanDerWaalsContact C-N 3.34Å; E4-L6 PolarHBondContact O-N 2.95Å; E4-S8 VanDerWaalsContact O-CB 3.27Å; E4-S8 WeakPolarHBondContact O-CB 3.3Å; E4-S8 PolarHBondContact O-N 2.7Å; E4-F16 HydrophobicContact CG-CD1 3.66Å; E4-F16 HydrophobicContact CG-CE1 3.47Å; E4-F16 VanDerWaalsContact CG-CE1 3.47Å; E4-F16 HydrophobicContact CG-CZ 4.25Å
5D80.4Confident83Confident79 Ų7981.1 Ų81.142%0.42243%0.433SS..Hα-helixtrans-67.7-38.6179.8-59.4-40.4000110.9M1 A2 L3 S8M1-D5 HydrophobicContact CG-CB 3.99Å; A2-D5 PolarHBondContact N-OD2 3.26Å; A2-D5 WeakPolarHBondContact O-CB 3.42Å; A2-D5 PolarHBondContact O-N 2.67Å; L3-D5 VanDerWaalsContact C-N 3.32Å; L3-D5 PolarHBondContact O-N 3.27Å; D5-S8 PolarHBondContact O-OG 2.96Å
6L81.8Confident83.3Confident118 Ų11877.9 Ų77.962%0.61842%0.415SS*.Hα-helixtrans-68.4-39.4-178.4-173.569.8000112.3M1 A2 L3 E4 P9M1-L6 HydrophobicContact SD-CD1 4.34Å; A2-L6 PolarHBondContact O-N 3.13Å; L3-L6 PolarHBondContact O-N 3.25Å; E4-L6 VanDerWaalsContact C-N 3.34Å; E4-L6 PolarHBondContact O-N 2.95Å; L6-P9 WeakPolarHBondContact O-CD 3.46Å
7I85.8Confident83.5Confident34 Ų3481.1 Ų81.117%0.17442%0.421CS..Hα-helixtrans-91-10.9-178.468.7-173.4000113.2L3 P9 I10 I11 F16L3-I7 HydrophobicContact CD1-CG2 4.17Å; L3-I7 HydrophobicContact CG-CD1 4.47Å; L3-I7 WeakPolarHBondContact O-CG1 3.06Å; L3-I7 PolarHBondContact O-N 3.39Å; L3-I7 VanDerWaalsContact O-N 3.12Å; I7-P9 WeakPolarHBondContact O-CD 3.41Å; I7-P9 VanDerWaalsContact O-N 3.09Å; I7-I10 WeakPolarHBondContact O-CA 3.14Å; I7-I10 PolarHBondContact O-N 3.02Å; I7-I11 PolarHBondContact O-N 3.09Å; I7-F16 HydrophobicContact CD1-CB 4.49Å; I7-F16 HydrophobicContact CD1-CD2 3.14Å; I7-F16 HydrophobicContact CD1-CE2 3.29Å; I7-F16 HydrophobicContact CD1-CG 3.87Å; I7-F16 HydrophobicContact CD1-CZ 4.13Å; I7-F16 HydrophobicContact CG1-CD2 4.47Å
8S86.1Confident83.7Confident57 Ų5778.9 Ų78.940%0.39941%0.407SS..THydrogen-bonded Turntrans-50.8-30.4-17867.30000115.8E4 D5 I10 I11E4-S8 VanDerWaalsContact O-CB 3.27Å; E4-S8 WeakPolarHBondContact O-CB 3.3Å; E4-S8 PolarHBondContact O-N 2.7Å; D5-S8 PolarHBondContact O-OG 2.96Å; S8-I10 PolarHBondContact O-N 3.12Å; S8-I11 WeakPolarHBondContact CA-O 3.23Å
9P86.8Confident83.9Confident60 Ų6076.2 Ų76.239%0.3939%0.392SS..THydrogen-bonded Turntrans-68.7-22.5174.6-20.835.2000113.8L6 I7 Y41L6-P9 WeakPolarHBondContact O-CD 3.46Å; I7-P9 WeakPolarHBondContact O-CD 3.41Å; I7-P9 VanDerWaalsContact O-N 3.09Å; P9-Y41 HydrophobicContact CB-CE2 4.32Å
10I90.1Very high84Confident54 Ų5476 Ų7628%0.27740%0.395SS..THydrogen-bonded Turntrans-105.7-44.2-175.7-57.4174.5000111.1I7 S8 T34 K37 L38 Y41I7-I10 WeakPolarHBondContact O-CA 3.14Å; I7-I10 PolarHBondContact O-N 3.02Å; S8-I10 PolarHBondContact O-N 3.12Å; I10-T34 HydrophobicContact CG2-CG2 4.25Å; I10-K37 HydrophobicContact CB-CB 4.42Å; I10-K37 HydrophobicContact CG2-CB 4.03Å; I10-K37 WeakPolarHBondContact O-CG 3.16Å; I10-L38 HydrophobicContact CD1-CD2 4.1Å; I10-L38 HydrophobicContact CG2-CD2 3.84Å; I10-L38 HydrophobicContact CG2-CG 3.81Å; I10-Y41 HydrophobicContact CG1-CD2 4.11Å; I10-Y41 HydrophobicContact CG1-CE2 4.15Å
11I90.7Very high84.1Confident32 Ų3279.6 Ų79.616%0.16441%0.408CS..SBendtrans-121.3119.9-175.6-53.9176.5000107.9I7 S8 C15 F16 F19 T34I7-I11 PolarHBondContact O-N 3.09Å; S8-I11 WeakPolarHBondContact CA-O 3.23Å; I11-C15 HydrophobicContact CG2-CB 3.81Å; I11-F16 HydrophobicContact CG2-CB 3.91Å; I11-F19 HydrophobicContact CD1-CD2 4.45Å; I11-F19 HydrophobicContact CD1-CE2 4.47Å; I11-F19 HydrophobicContact CG2-CD2 3.99Å; I11-F19 HydrophobicContact CG2-CE2 3.96Å; I11-T34 HydrophobicContact CD1-CG2 4.22Å; I11-T34 HydrophobicContact CG1-CG2 3.79Å
12S86.7Confident85.4Confident58 Ų5875.7 Ų75.741%0.40639%0.387SS..  trans-63.7156.2175.175.10000110.7E14 C15 F16S12-E14 PolarHBondContact O-N 3.12Å; S12-C15 PolarHBondContact O-N 3.4Å; S12-C15 VanDerWaalsContact O-N 3.09Å; S12-C15 WeakPolarHBondContact OG-CB 3.35Å; S12-C15 PolarHBondContact OG-N 3.07Å; S12-C15 VanDerWaalsContact OG-N 3.12Å; S12-C15 PolarHBondContact OG-SG 2.99Å; S12-F16 WeakPolarHBondContact O-CB 3.41Å; S12-F16 PolarHBondContact O-N 3.16Å
13K86.6Confident85.4Confident137 Ų13775.9 Ų75.960%0.59639%0.394SS*.Hα-helixtrans-57.4-37.8178.3-66.4-174.6176.9-173.10112.4F16 Y17K13-F16 PolarHBondContact O-N 3.24Å; K13-Y17 WeakPolarHBondContact O-CB 3.31Å; K13-Y17 PolarHBondContact O-N 3.02Å
14E87Confident85.7Confident133 Ų13373.9 Ų73.962%0.62138%0.384SS*.Hα-helixtrans-63.5-48174.7-173-176.2165.300111.4S12 F16 Y17 K18S12-E14 PolarHBondContact O-N 3.12Å; E14-F16 VanDerWaalsContact C-N 3.32Å; E14-F16 PolarHBondContact O-N 3.43Å; E14-Y17 WeakPolarHBondContact O-CB 3.39Å; E14-Y17 PolarHBondContact O-N 2.94Å; E14-K18 PolarHBondContact O-N 3.49Å
15C88.7Confident85.8Confident10 Ų1074.8 Ų74.87%0.06839%0.391CS..Hα-helixtrans-66.9-35.2178.3-66.80000112.5I11 S12 Y17 K18 F19 C30I11-C15 HydrophobicContact CG2-CB 3.81Å; S12-C15 PolarHBondContact O-N 3.4Å; S12-C15 VanDerWaalsContact O-N 3.09Å; S12-C15 WeakPolarHBondContact OG-CB 3.35Å; S12-C15 PolarHBondContact OG-N 3.07Å; S12-C15 VanDerWaalsContact OG-N 3.12Å; S12-C15 PolarHBondContact OG-SG 2.99Å; C15-Y17 VanDerWaalsContact C-N 3.33Å; C15-K18 PolarHBondContact O-N 3.36Å; C15-F19 HydrophobicContact CB-CE2 4.29Å; C15-F19 WeakPolarHBondContact O-CB 3.28Å; C15-F19 VanDerWaalsContact O-CD2 3.24Å; C15-F19 WeakPolarHBondContact O-CD2 3.25Å; C15-F19 WeakPolarHBondContact O-CG 3.49Å; C15-F19 PolarHBondContact O-N 2.93Å; C15-C30 WeakPolarHBondContact CA-SG 3.44Å; C15-C30 HydrophobicContact CB-CB 3.55Å; C15-C30 WeakPolarHBondContact CB-SG 3.27Å; C15-C30 WeakPolarHBondContact SG-CA 3.46Å; C15-C30 WeakPolarHBondContact SG-CB 3.49Å; C15-C30 CovalentContact SG-SG 2.04Å; C15-C30 PolarHBondContact SG-SG 3.33Å
16F87.4Confident86.1Confident31 Ų3178.2 Ų78.214%0.13640%0.402CS..Hα-helixtrans-64.4-40.9173.8-177.6-106.5000111.5L3 E4 I7 I11 S12 K13 E14 F19 T20L3-F16 HydrophobicContact CD2-CE2 4.5Å; L3-F16 HydrophobicContact CD2-CZ 4.29Å; E4-F16 HydrophobicContact CG-CD1 3.66Å; E4-F16 HydrophobicContact CG-CE1 3.47Å; E4-F16 VanDerWaalsContact CG-CE1 3.47Å; E4-F16 HydrophobicContact CG-CZ 4.25Å; I7-F16 HydrophobicContact CD1-CB 4.49Å; I7-F16 HydrophobicContact CD1-CD2 3.14Å; I7-F16 HydrophobicContact CD1-CE2 3.29Å; I7-F16 HydrophobicContact CD1-CG 3.87Å; I7-F16 HydrophobicContact CD1-CZ 4.13Å; I7-F16 HydrophobicContact CG1-CD2 4.47Å; I11-F16 HydrophobicContact CG2-CB 3.91Å; S12-F16 WeakPolarHBondContact O-CB 3.41Å; S12-F16 PolarHBondContact O-N 3.16Å; K13-F16 PolarHBondContact O-N 3.24Å; E14-F16 VanDerWaalsContact C-N 3.32Å; E14-F16 PolarHBondContact O-N 3.43Å; F16-F19 PolarHBondContact O-N 3.31Å; F16-T20 HydrophobicContact CD2-CG2 3.88Å; F16-T20 HydrophobicContact CE1-CG2 4.22Å; F16-T20 HydrophobicContact CE2-CG2 3.48Å; F16-T20 VanDerWaalsContact CE2-CG2 3.48Å; F16-T20 HydrophobicContact CG-CG2 4.45Å; F16-T20 HydrophobicContact CZ-CG2 3.69Å; F16-T20 WeakPolarHBondContact O-CB 3.33Å; F16-T20 WeakPolarHBondContact O-CG2 3.47Å; F16-T20 PolarHBondContact O-N 2.95Å; F16-T20 PolarHBondContact O-OG1 3.41Å
17Y86.4Confident86.3Confident132 Ų13273.7 Ų73.752%0.51838%0.379SS..Hα-helixtrans-60.9-49.7173.5-179.6-91.3000111.1K13 E14 C15 F19 T20 K21 E22K13-Y17 WeakPolarHBondContact O-CB 3.31Å; K13-Y17 PolarHBondContact O-N 3.02Å; E14-Y17 WeakPolarHBondContact O-CB 3.39Å; E14-Y17 PolarHBondContact O-N 2.94Å; C15-Y17 VanDerWaalsContact C-N 3.33Å; Y17-F19 PolarHBondContact O-N 3.07Å; Y17-T20 PolarHBondContact O-N 3.23Å; Y17-K21 HydrophobicContact CD1-CB 4.46Å; Y17-K21 HydrophobicContact CD2-CB 3.85Å; Y17-K21 HydrophobicContact CD2-CG 3.56Å; Y17-K21 HydrophobicContact CE1-CB 4.33Å; Y17-K21 HydrophobicContact CE2-CB 3.7Å; Y17-K21 HydrophobicContact CE2-CG 3.64Å; Y17-K21 HydrophobicContact CG-CB 4.24Å; Y17-K21 HydrophobicContact CG-CG 4.27Å; Y17-K21 WeakPolarHBondContact O-CA 3.43Å; Y17-K21 VanDerWaalsContact O-CB 3.25Å; Y17-K21 WeakPolarHBondContact O-CB 3.37Å; Y17-K21 PolarHBondContact O-N 3.04Å; Y17-E22 HydrophobicContact CD1-CG 4.38Å; Y17-E22 HydrophobicContact CE1-CG 4Å; Y17-E22 WeakPolarHBondContact CE1-OE1 3.5Å; Y17-E22 PolarHBondContact O-N 3.33Å
18K86.4Confident86.4Confident41 Ų4173.8 Ų73.818%0.17839%0.388CS..Iπ-helixtrans-57.1-47176.2-69.9-168.4172.8-174.90112.7E14 C15 T20 E22 G23 D24 D27E14-K18 PolarHBondContact O-N 3.49Å; C15-K18 PolarHBondContact O-N 3.36Å; K18-T20 PolarHBondContact O-N 3.06Å; K18-E22 WeakPolarHBondContact O-CB 3.46Å; K18-E22 PolarHBondContact O-N 3.43Å; K18-G23 PolarHBondContact O-N 3.15Å; K18-G23 VanDerWaalsContact O-N 3.12Å; K18-D24 PolarHBondContact O-N 3.21Å; K18-D27 HydrophobicContact CD-CB 4.18Å; K18-D27 VanDerWaalsContact NZ-CG 3.35Å; K18-D27 IonicContact NZ-OD1 2.78Å; K18-D27 PolarHBondContact NZ-OD1 3.4Å; K18-D27 IonicContact NZ-OD2 3.41Å; K18-D27 PolarHBondContact NZ-OD2 2.91Å
19F88.1Confident86.6Confident27 Ų2775.6 Ų75.612%0.11840%0.398CS..Iπ-helixtrans-65.1-41.4-179.4-65.6-22.6000113.6I11 C15 F16 Y17 D24 L25 C30 T34I11-F19 HydrophobicContact CD1-CD2 4.45Å; I11-F19 HydrophobicContact CD1-CE2 4.47Å; I11-F19 HydrophobicContact CG2-CD2 3.99Å; I11-F19 HydrophobicContact CG2-CE2 3.96Å; C15-F19 HydrophobicContact CB-CE2 4.29Å; C15-F19 WeakPolarHBondContact O-CB 3.28Å; C15-F19 VanDerWaalsContact O-CD2 3.24Å; C15-F19 WeakPolarHBondContact O-CD2 3.25Å; C15-F19 WeakPolarHBondContact O-CG 3.49Å; C15-F19 PolarHBondContact O-N 2.93Å; F16-F19 PolarHBondContact O-N 3.31Å; Y17-F19 PolarHBondContact O-N 3.07Å; F19-D24 VanDerWaalsContact CD1-O 3.29Å; F19-D24 WeakPolarHBondContact CD1-O 3.3Å; F19-L25 HydrophobicContact CB-CD2 4.01Å; F19-L25 WeakPolarHBondContact CE1-O 3.37Å; F19-L25 HydrophobicContact CG-CD2 4.44Å; F19-C30 HydrophobicContact CE1-CB 3.84Å; F19-C30 HydrophobicContact CZ-CB 3.74Å; F19-T34 WeakPolarHBondContact CE2-OG1 3.43Å
20T86.5Confident86.8Confident73 Ų7373 Ų7345%0.44838%0.381SS..Iπ-helixtrans-97.4-35.7-171.260.10000114.2F16 Y17 K18F16-T20 HydrophobicContact CD2-CG2 3.88Å; F16-T20 HydrophobicContact CE1-CG2 4.22Å; F16-T20 HydrophobicContact CE2-CG2 3.48Å; F16-T20 VanDerWaalsContact CE2-CG2 3.48Å; F16-T20 HydrophobicContact CG-CG2 4.45Å; F16-T20 HydrophobicContact CZ-CG2 3.69Å; F16-T20 WeakPolarHBondContact O-CB 3.33Å; F16-T20 WeakPolarHBondContact O-CG2 3.47Å; F16-T20 PolarHBondContact O-N 2.95Å; F16-T20 PolarHBondContact O-OG1 3.41Å; Y17-T20 PolarHBondContact O-N 3.23Å; K18-T20 PolarHBondContact O-N 3.06Å
21K84.9Confident86.9Confident152 Ų15274.1 Ų74.166%0.66138%0.384SS*.Iπ-helixtrans-96.1-40.8-175.1-61.2-60-173.4179.70112.3Y17Y17-K21 HydrophobicContact CD1-CB 4.46Å; Y17-K21 HydrophobicContact CD2-CB 3.85Å; Y17-K21 HydrophobicContact CD2-CG 3.56Å; Y17-K21 HydrophobicContact CE1-CB 4.33Å; Y17-K21 HydrophobicContact CE2-CB 3.7Å; Y17-K21 HydrophobicContact CE2-CG 3.64Å; Y17-K21 HydrophobicContact CG-CB 4.24Å; Y17-K21 HydrophobicContact CG-CG 4.27Å; Y17-K21 WeakPolarHBondContact O-CA 3.43Å; Y17-K21 VanDerWaalsContact O-CB 3.25Å; Y17-K21 WeakPolarHBondContact O-CB 3.37Å; Y17-K21 PolarHBondContact O-N 3.04Å
22E85.3Confident87Confident114 Ų11477.6 Ų77.653%0.53340%0.398SS..Iπ-helixtrans-87-19.8176.8-57.8177.7178.400111.8Y17 K18 D24Y17-E22 HydrophobicContact CD1-CG 4.38Å; Y17-E22 HydrophobicContact CE1-CG 4Å; Y17-E22 WeakPolarHBondContact CE1-OE1 3.5Å; Y17-E22 PolarHBondContact O-N 3.33Å; K18-E22 WeakPolarHBondContact O-CB 3.46Å; K18-E22 PolarHBondContact O-N 3.43Å; E22-D24 PolarHBondContact O-N 3.31Å
23G80.7Confident87.3Confident54 Ų5476.7 Ų76.756%0.55739%0.394SS*.  trans73.59-176.900000113.4K18 L25K18-G23 PolarHBondContact O-N 3.15Å; K18-G23 VanDerWaalsContact O-N 3.12Å; G23-L25 VanDerWaalsContact C-N 3.34Å; G23-L25 PolarHBondContact O-N 3.35Å
24D85.5Confident87.6Confident70 Ų7071 Ų7137%0.37437%0.371SS..  trans-85.375.5179.5-169.50.6000111K18 F19 E22 F26 D27K18-D24 PolarHBondContact O-N 3.21Å; F19-D24 VanDerWaalsContact CD1-O 3.29Å; F19-D24 WeakPolarHBondContact CD1-O 3.3Å; E22-D24 PolarHBondContact O-N 3.31Å; D24-F26 PolarHBondContact O-N 3.11Å; D24-F26 PolarHBondContact OD1-N 2.9Å; D24-D27 PolarHBondContact O-N 3.47Å; D24-D27 PolarHBondContact OD1-N 3.15Å; D24-D27 VanDerWaalsContact OD1-N 3.08Å
25L80.9Confident88Confident104 Ų10467.5 Ų67.555%0.54536%0.356SS..THydrogen-bonded Turntrans-63.3-18.2179.5-63.8177.8000113.9F19 G23F19-L25 HydrophobicContact CB-CD2 4.01Å; F19-L25 WeakPolarHBondContact CE1-O 3.37Å; F19-L25 HydrophobicContact CG-CD2 4.44Å; G23-L25 VanDerWaalsContact C-N 3.34Å; G23-L25 PolarHBondContact O-N 3.35Å
26F84.9Confident88.3Confident152 Ų15267 Ų6767%0.66735%0.352SS*.THydrogen-bonded Turntrans-116.521-174.6-66.8-77.1000112.9D24 G28 F31D24-F26 PolarHBondContact O-N 3.11Å; D24-F26 PolarHBondContact OD1-N 2.9Å; F26-G28 PolarHBondContact O-N 2.87Å; F26-F31 HydrophobicContact CD1-CD2 4.05Å; F26-F31 AromaticContact CD1-CE2 3.9Å; F26-F31 HydrophobicContact CD1-CE2 3.9Å; F26-F31 HydrophobicContact CD1-CG 4.49Å; F26-F31 HydrophobicContact CD1-CZ 4.2Å; F26-F31 HydrophobicContact CE1-CD2 4.44Å; F26-F31 AromaticContact CE1-CE2 3.85Å; F26-F31 HydrophobicContact CE1-CE2 3.85Å; F26-F31 HydrophobicContact CE1-CZ 4.08Å
27D86.2Confident88.7Confident23 Ų2367.4 Ų67.412%0.12335%0.354CS..  trans-49.4112.2167.2175.489.1000108.6K18 D24 P29 C30 F31K18-D27 HydrophobicContact CD-CB 4.18Å; K18-D27 VanDerWaalsContact NZ-CG 3.35Å; K18-D27 IonicContact NZ-OD1 2.78Å; K18-D27 PolarHBondContact NZ-OD1 3.4Å; K18-D27 IonicContact NZ-OD2 3.41Å; K18-D27 PolarHBondContact NZ-OD2 2.91Å; D24-D27 PolarHBondContact O-N 3.47Å; D24-D27 PolarHBondContact OD1-N 3.15Å; D24-D27 VanDerWaalsContact OD1-N 3.08Å; D27-P29 WeakPolarHBondContact OD2-CD 3.29Å; D27-C30 HydrophobicContact CB-CB 4.16Å; D27-C30 PolarHBondContact O-N 3.28Å; D27-C30 VanDerWaalsContact O-N 3.14Å; D27-C30 VanDerWaalsContact OD2-CB 3.24Å; D27-C30 WeakPolarHBondContact OD2-CB 3.39Å; D27-C30 PolarHBondContact OD2-N 3.43Å; D27-C30 PolarHBondContact OD2-SG 2.73Å; D27-F31 VanDerWaalsContact O-CB 3.22Å; D27-F31 WeakPolarHBondContact O-CB 3.05Å; D27-F31 PolarHBondContact O-N 3.21Å
28G88.1Confident89.1Confident36 Ų3665.6 Ų65.637%0.37135%0.353SS..Hα-helixtrans-53.5-48.2-165.800000113.9F26 K32F26-G28 PolarHBondContact O-N 2.87Å; G28-K32 WeakPolarHBondContact O-CB 3.31Å; G28-K32 VanDerWaalsContact O-CG 3.23Å; G28-K32 WeakPolarHBondContact O-CG 3.49Å; G28-K32 PolarHBondContact O-N 2.83Å
29P90.7Very high89.6Confident94 Ų9466.8 Ų66.861%0.6136%0.361SS*.Hα-helixtrans-61.3-51.9174.5-24.334.5000113.2D27 F31 K32 A33D27-P29 WeakPolarHBondContact OD2-CD 3.29Å; P29-F31 PolarHBondContact O-N 3.16Å; P29-K32 PolarHBondContact O-N 3.38Å; P29-A33 WeakPolarHBondContact O-CB 3.12Å; P29-A33 PolarHBondContact O-N 3.37Å
30C91.7Very high90Very high5 Ų565.5 Ų65.53%0.03436%0.356CS..Hα-helixtrans-65.8-38.6-176.6-810000113.1C15 F19 D27 T34C15-C30 WeakPolarHBondContact CA-SG 3.44Å; C15-C30 HydrophobicContact CB-CB 3.55Å; C15-C30 WeakPolarHBondContact CB-SG 3.27Å; C15-C30 WeakPolarHBondContact SG-CA 3.46Å; C15-C30 WeakPolarHBondContact SG-CB 3.49Å; C15-C30 CovalentContact SG-SG 2.04Å; C15-C30 PolarHBondContact SG-SG 3.33Å; F19-C30 HydrophobicContact CE1-CB 3.84Å; F19-C30 HydrophobicContact CZ-CB 3.74Å; D27-C30 HydrophobicContact CB-CB 4.16Å; D27-C30 PolarHBondContact O-N 3.28Å; D27-C30 VanDerWaalsContact O-N 3.14Å; D27-C30 VanDerWaalsContact OD2-CB 3.24Å; D27-C30 WeakPolarHBondContact OD2-CB 3.39Å; D27-C30 PolarHBondContact OD2-N 3.43Å; D27-C30 PolarHBondContact OD2-SG 2.73Å; C30-T34 VanDerWaalsContact O-CB 3.3Å; C30-T34 WeakPolarHBondContact O-CB 3.26Å; C30-T34 PolarHBondContact O-N 2.86Å; C30-T34 PolarHBondContact O-OG1 2.87Å
31F91.7Very high90.4Very high78 Ų7865.2 Ų65.234%0.34235%0.347SS..Hα-helixtrans-63.5-47.3176.5-175.5-101.9000111.3F26 D27 P29 T34 I35F26-F31 HydrophobicContact CD1-CD2 4.05Å; F26-F31 AromaticContact CD1-CE2 3.9Å; F26-F31 HydrophobicContact CD1-CE2 3.9Å; F26-F31 HydrophobicContact CD1-CG 4.49Å; F26-F31 HydrophobicContact CD1-CZ 4.2Å; F26-F31 HydrophobicContact CE1-CD2 4.44Å; F26-F31 AromaticContact CE1-CE2 3.85Å; F26-F31 HydrophobicContact CE1-CE2 3.85Å; F26-F31 HydrophobicContact CE1-CZ 4.08Å; D27-F31 VanDerWaalsContact O-CB 3.22Å; D27-F31 WeakPolarHBondContact O-CB 3.05Å; D27-F31 PolarHBondContact O-N 3.21Å; P29-F31 PolarHBondContact O-N 3.16Å; F31-T34 PolarHBondContact O-N 2.88Å; F31-I35 HydrophobicContact CD1-CD1 4.13Å; F31-I35 HydrophobicContact CE1-CD1 3.42Å; F31-I35 VanDerWaalsContact CE1-CD1 3.42Å; F31-I35 HydrophobicContact CE1-CG1 4.31Å; F31-I35 HydrophobicContact CE2-CD1 4.09Å; F31-I35 HydrophobicContact CZ-CD1 3.4Å; F31-I35 HydrophobicContact CZ-CG1 4.27Å; F31-I35 WeakPolarHBondContact O-CG1 3.22Å; F31-I35 PolarHBondContact O-N 3.19Å
32K93.7Very high91Very high106 Ų10659.9 Ų59.946%0.46134%0.335SS..Hα-helixtrans-63.4-43.6177.6-73.3174.8-173.7179.40112.3G28 P29 I35 S36 F195G28-K32 WeakPolarHBondContact O-CB 3.31Å; G28-K32 VanDerWaalsContact O-CG 3.23Å; G28-K32 WeakPolarHBondContact O-CG 3.49Å; G28-K32 PolarHBondContact O-N 2.83Å; P29-K32 PolarHBondContact O-N 3.38Å; K32-I35 PolarHBondContact O-N 2.98Å; K32-S36 VanDerWaalsContact O-CB 3.28Å; K32-S36 WeakPolarHBondContact O-CB 3.49Å; K32-S36 PolarHBondContact O-N 3.21Å; K32-F195 HydrophobicContact CB-CZ 4.2Å; K32-F195 HydrophobicContact CG-CZ 4.41Å
33A92.5Very high91.5Very high38 Ų3856.2 Ų56.231%0.31432%0.319SS..Hα-helixtrans-61.8-46.117700000111.3P29 I35 S36 K37P29-A33 WeakPolarHBondContact O-CB 3.12Å; P29-A33 PolarHBondContact O-N 3.37Å; A33-I35 PolarHBondContact O-N 3.48Å; A33-S36 WeakPolarHBondContact O-CB 3.45Å; A33-S36 PolarHBondContact O-N 3.48Å; A33-K37 WeakPolarHBondContact O-CG 3.21Å; A33-K37 PolarHBondContact O-N 3.23Å
34T93.4Very high92.3Very high17 Ų1754 Ų5410%0.10429%0.294CS..Hα-helixtrans-61.6-46.7178.4-590000111.6I10 I11 F19 C30 F31 S36 K37 L38I10-T34 HydrophobicContact CG2-CG2 4.25Å; I11-T34 HydrophobicContact CD1-CG2 4.22Å; I11-T34 HydrophobicContact CG1-CG2 3.79Å; F19-T34 WeakPolarHBondContact CE2-OG1 3.43Å; C30-T34 VanDerWaalsContact O-CB 3.3Å; C30-T34 WeakPolarHBondContact O-CB 3.26Å; C30-T34 PolarHBondContact O-N 2.86Å; C30-T34 PolarHBondContact O-OG1 2.87Å; F31-T34 PolarHBondContact O-N 2.88Å; T34-S36 VanDerWaalsContact C-N 3.32Å; T34-S36 PolarHBondContact O-N 3.23Å; T34-K37 PolarHBondContact O-N 3.45Å; T34-L38 HydrophobicContact CG2-CD1 4.21Å; T34-L38 WeakPolarHBondContact O-CG 3.47Å; T34-L38 PolarHBondContact O-N 2.88Å
35I94.5Very high92.8Very high60 Ų6056 Ų5631%0.30830%0.304SS..Hα-helixtrans-62.1-41.8175.6-73.9-164.4000111.1F31 K32 A33 K37 L38 L39 F195F31-I35 HydrophobicContact CD1-CD1 4.13Å; F31-I35 HydrophobicContact CE1-CD1 3.42Å; F31-I35 VanDerWaalsContact CE1-CD1 3.42Å; F31-I35 HydrophobicContact CE1-CG1 4.31Å; F31-I35 HydrophobicContact CE2-CD1 4.09Å; F31-I35 HydrophobicContact CZ-CD1 3.4Å; F31-I35 HydrophobicContact CZ-CG1 4.27Å; F31-I35 WeakPolarHBondContact O-CG1 3.22Å; F31-I35 PolarHBondContact O-N 3.19Å; K32-I35 PolarHBondContact O-N 2.98Å; A33-I35 PolarHBondContact O-N 3.48Å; I35-K37 PolarHBondContact O-N 3.29Å; I35-L38 PolarHBondContact O-N 3.07Å; I35-L39 HydrophobicContact CG2-CD1 3.61Å; I35-L39 HydrophobicContact CG2-CG 4.1Å; I35-L39 WeakPolarHBondContact O-CB 3.38Å; I35-L39 VanDerWaalsContact O-CG 3.26Å; I35-L39 WeakPolarHBondContact O-CG 3.21Å; I35-L39 PolarHBondContact O-N 3.48Å; I35-F195 HydrophobicContact CG2-CE1 4.11Å
36S95.4Very high93.4Very high0 Ų053 Ų530%030%0.297CS..Hα-helixtrans-58.1-47.3177.5-177.80000111.8K32 A33 T34 L39 G40 T196 E200K32-S36 VanDerWaalsContact O-CB 3.28Å; K32-S36 WeakPolarHBondContact O-CB 3.49Å; K32-S36 PolarHBondContact O-N 3.21Å; A33-S36 WeakPolarHBondContact O-CB 3.45Å; A33-S36 PolarHBondContact O-N 3.48Å; T34-S36 VanDerWaalsContact C-N 3.32Å; T34-S36 PolarHBondContact O-N 3.23Å; S36-L39 PolarHBondContact O-N 3.31Å; S36-G40 PolarHBondContact O-N 3.26Å; S36-T196 WeakPolarHBondContact O-CG2 3.22Å; S36-T196 WeakPolarHBondContact OG-CA 3.39Å; S36-E200 WeakPolarHBondContact OG-CG 3.17Å
37K95Very high93.9Very high39 Ų3946.5 Ų46.517%0.1727%0.271CS..Hα-helixtrans-60.8-48.1175.6-67.8-68.2-173.6-171.70112.2I10 A33 T34 I35 L39 G40 Y41 S94 E200I10-K37 HydrophobicContact CB-CB 4.42Å; I10-K37 HydrophobicContact CG2-CB 4.03Å; I10-K37 WeakPolarHBondContact O-CG 3.16Å; A33-K37 WeakPolarHBondContact O-CG 3.21Å; A33-K37 PolarHBondContact O-N 3.23Å; T34-K37 PolarHBondContact O-N 3.45Å; I35-K37 PolarHBondContact O-N 3.29Å; K37-L39 VanDerWaalsContact C-N 3.33Å; K37-L39 PolarHBondContact O-N 2.84Å; K37-G40 PolarHBondContact O-N 3.41Å; K37-Y41 WeakPolarHBondContact O-CD2 3.41Å; K37-Y41 PolarHBondContact O-N 3.49Å; K37-S94 WeakPolarHBondContact CD-OG 3.48Å; K37-S94 PolarHBondContact NZ-OG 2.97Å; K37-S94 VanDerWaalsContact NZ-OG 3.13Å; K37-E200 WeakPolarHBondContact CD-OE1 3.45Å; K37-E200 VanDerWaalsContact CD-OE2 3.22Å; K37-E200 WeakPolarHBondContact CD-OE2 3.4Å; K37-E200 WeakPolarHBondContact CE-OE1 3.42Å; K37-E200 WeakPolarHBondContact CE-OE2 3.42Å; K37-E200 IonicContact NZ-OE1 3.54Å; K37-E200 IonicContact NZ-OE2 2.66Å; K37-E200 PolarHBondContact NZ-OE2 3.45Å
38L95.5Very high94.3Very high94 Ų9446.5 Ų46.549%0.49227%0.273SS..Hα-helixtrans-58.6-46178.8-75.2171.4000111.7I10 T34 I35 G42I10-L38 HydrophobicContact CD1-CD2 4.1Å; I10-L38 HydrophobicContact CG2-CD2 3.84Å; I10-L38 HydrophobicContact CG2-CG 3.81Å; T34-L38 HydrophobicContact CG2-CD1 4.21Å; T34-L38 WeakPolarHBondContact O-CG 3.47Å; T34-L38 PolarHBondContact O-N 2.88Å; I35-L38 PolarHBondContact O-N 3.07Å; L38-G42 PolarHBondContact O-N 3.13Å
39L96.1Very high94.6Very high66 Ų6650.2 Ų50.235%0.34628%0.283SS..Hα-helixtrans-64.3-43.9177-73.2174.9000111.9I35 S36 K37 G42 I43 V192 F195 T196I35-L39 HydrophobicContact CG2-CD1 3.61Å; I35-L39 HydrophobicContact CG2-CG 4.1Å; I35-L39 WeakPolarHBondContact O-CB 3.38Å; I35-L39 VanDerWaalsContact O-CG 3.26Å; I35-L39 WeakPolarHBondContact O-CG 3.21Å; I35-L39 PolarHBondContact O-N 3.48Å; S36-L39 PolarHBondContact O-N 3.31Å; K37-L39 VanDerWaalsContact C-N 3.33Å; K37-L39 PolarHBondContact O-N 2.84Å; L39-G42 PolarHBondContact O-N 3.41Å; L39-I43 WeakPolarHBondContact O-CG1 3.38Å; L39-I43 PolarHBondContact O-N 3.03Å; L39-V192 HydrophobicContact CB-CG1 3.65Å; L39-V192 HydrophobicContact CD1-CG1 4.09Å; L39-V192 HydrophobicContact CD2-CG1 4.3Å; L39-V192 HydrophobicContact CD2-CG2 4.39Å; L39-V192 HydrophobicContact CG-CG1 4.23Å; L39-F195 HydrophobicContact CD1-CD1 4.15Å; L39-F195 HydrophobicContact CD1-CE1 4.44Å; L39-T196 HydrophobicContact CB-CG2 4.12Å
40G96.5Very high94.7Very high1 Ų150 Ų501%0.0128%0.28CS..Hα-helixtrans-58.8-50.6176.400000112.2S36 K37 G42 I43 I44 S94S36-G40 PolarHBondContact O-N 3.26Å; K37-G40 PolarHBondContact O-N 3.41Å; G40-G42 VanDerWaalsContact C-N 3.32Å; G40-G42 PolarHBondContact O-N 3.44Å; G40-I43 PolarHBondContact O-N 2.8Å; G40-I44 WeakPolarHBondContact O-CG1 3.31Å; G40-I44 PolarHBondContact O-N 3.23Å; G40-S94 WeakPolarHBondContact CA-O 3.49Å
41Y96.4Very high94.9Very high66 Ų6651.2 Ų51.226%0.25929%0.285SS..Hα-helixtrans-64.3-35.4175.4-76.8-63.8000112.9P9 I10 K37 I43 I44 I45 F93P9-Y41 HydrophobicContact CB-CE2 4.32Å; I10-Y41 HydrophobicContact CG1-CD2 4.11Å; I10-Y41 HydrophobicContact CG1-CE2 4.15Å; K37-Y41 WeakPolarHBondContact O-CD2 3.41Å; K37-Y41 PolarHBondContact O-N 3.49Å; Y41-I43 VanDerWaalsContact C-N 3.34Å; Y41-I43 PolarHBondContact O-N 3.5Å; Y41-I44 HydrophobicContact CD1-CD1 3.92Å; Y41-I44 HydrophobicContact CE1-CD1 4.28Å; Y41-I44 WeakPolarHBondContact O-CB 3.32Å; Y41-I44 PolarHBondContact O-N 3.17Å; Y41-I45 WeakPolarHBondContact O-CG1 3.39Å; Y41-I45 PolarHBondContact O-N 3.33Å; Y41-F93 HydrophobicContact CE1-CD1 4.27Å
42G96.1Very high95Very high41 Ų4150.6 Ų50.642%0.42329%0.285SS..Hα-helixtrans-57.8-44.917200000112.4L38 L39 G40 I45 G46L38-G42 PolarHBondContact O-N 3.13Å; L39-G42 PolarHBondContact O-N 3.41Å; G40-G42 VanDerWaalsContact C-N 3.32Å; G40-G42 PolarHBondContact O-N 3.44Å; G42-I45 PolarHBondContact O-N 2.94Å; G42-G46 PolarHBondContact O-N 2.8Å
43I95.8Very high95.1Very high37 Ų3749.7 Ų49.719%0.1929%0.29CS..Hα-helixtrans-67.5-38.6175.8-62.6167.1000111.5L39 G40 Y41 I45 G46 S47 E98 V192 R193L39-I43 WeakPolarHBondContact O-CG1 3.38Å; L39-I43 PolarHBondContact O-N 3.03Å; G40-I43 PolarHBondContact O-N 2.8Å; Y41-I43 VanDerWaalsContact C-N 3.34Å; Y41-I43 PolarHBondContact O-N 3.5Å; I43-I45 VanDerWaalsContact C-N 3.35Å; I43-I45 PolarHBondContact O-N 3.05Å; I43-G46 PolarHBondContact O-N 3.35Å; I43-S47 VanDerWaalsContact O-CB 3.27Å; I43-S47 WeakPolarHBondContact O-CB 3.32Å; I43-S47 PolarHBondContact O-N 2.95Å; I43-S47 PolarHBondContact O-OG 3.47Å; I43-E98 HydrophobicContact CG2-CB 4.19Å; I43-E98 HydrophobicContact CG2-CG 4.24Å; I43-V192 HydrophobicContact CD1-CB 4Å; I43-V192 HydrophobicContact CD1-CG1 3.43Å; I43-V192 VanDerWaalsContact CD1-CG1 3.43Å; I43-V192 HydrophobicContact CG1-CG1 4.36Å; I43-R193 HydrophobicContact CD1-CG 4.16Å
44I97.1Very high95.1Very high8 Ų850.7 Ų50.74%0.04129%0.288CS..Hα-helixtrans-57.7-49.8175.7-68.9169.4000110.2G40 Y41 S47 S48 F93 E98 F101G40-I44 WeakPolarHBondContact O-CG1 3.31Å; G40-I44 PolarHBondContact O-N 3.23Å; Y41-I44 HydrophobicContact CD1-CD1 3.92Å; Y41-I44 HydrophobicContact CE1-CD1 4.28Å; Y41-I44 WeakPolarHBondContact O-CB 3.32Å; Y41-I44 PolarHBondContact O-N 3.17Å; I44-S47 PolarHBondContact O-N 3.16Å; I44-S48 WeakPolarHBondContact O-CB 3.39Å; I44-S48 PolarHBondContact O-N 3.18Å; I44-S48 PolarHBondContact O-OG 3.5Å; I44-F93 HydrophobicContact CD1-CD1 4.04Å; I44-F93 HydrophobicContact CD1-CE1 3.98Å; I44-F93 HydrophobicContact CG2-CE1 4.5Å; I44-E98 HydrophobicContact CG1-CB 4.34Å; I44-F101 HydrophobicContact CG2-CD2 3.61Å; I44-F101 HydrophobicContact CG2-CE2 3.59Å
45I96Very high95.2Very high112 Ų11251.1 Ų51.157%0.57429%0.29SS*.Hα-helixtrans-59.8-48.9177.5-67.2165.8000110.5Y41 G42 I43 S47 S48Y41-I45 WeakPolarHBondContact O-CG1 3.39Å; Y41-I45 PolarHBondContact O-N 3.33Å; G42-I45 PolarHBondContact O-N 2.94Å; I43-I45 VanDerWaalsContact C-N 3.35Å; I43-I45 PolarHBondContact O-N 3.05Å; I45-S47 VanDerWaalsContact C-N 3.35Å; I45-S47 PolarHBondContact O-N 3.01Å; I45-S48 WeakPolarHBondContact O-CB 3.48Å; I45-S48 PolarHBondContact O-N 3.16Å
46G94.3Very high95.3Very high39 Ų3952 Ų5240%0.40230%0.295SS..Hα-helixtrans-58.4-45.2178.600000112.7G42 I43 S48 L49 V50G42-G46 PolarHBondContact O-N 2.8Å; I43-G46 PolarHBondContact O-N 3.35Å; G46-S48 VanDerWaalsContact C-N 3.31Å; G46-S48 PolarHBondContact O-N 3.33Å; G46-L49 PolarHBondContact O-N 3.49Å; G46-V50 WeakPolarHBondContact O-CG2 3.31Å
47S95Very high95.2Very high16 Ų1659 Ų5911%0.11233%0.325CS..Hα-helixtrans-69.4-29-177.9-55.90000112.9I43 I44 I45 L49 V50 Q105I43-S47 VanDerWaalsContact O-CB 3.27Å; I43-S47 WeakPolarHBondContact O-CB 3.32Å; I43-S47 PolarHBondContact O-N 2.95Å; I43-S47 PolarHBondContact O-OG 3.47Å; I44-S47 PolarHBondContact O-N 3.16Å; I45-S47 VanDerWaalsContact C-N 3.35Å; I45-S47 PolarHBondContact O-N 3.01Å; S47-L49 PolarHBondContact O-N 3.17Å; S47-V50 PolarHBondContact O-N 2.86Å; S47-Q105 PolarHBondContact O-NE2 2.9Å
48S94.9Very high95.2Very high24 Ų2457.5 Ų57.517%0.16832%0.319CS..Hα-helixtrans-64.9-17.5176.7-59.90000113.3I44 I45 G46 I52 F101 Q105I44-S48 WeakPolarHBondContact O-CB 3.39Å; I44-S48 PolarHBondContact O-N 3.18Å; I44-S48 PolarHBondContact O-OG 3.5Å; I45-S48 WeakPolarHBondContact O-CB 3.48Å; I45-S48 PolarHBondContact O-N 3.16Å; G46-S48 VanDerWaalsContact C-N 3.31Å; G46-S48 PolarHBondContact O-N 3.33Å; S48-I52 VanDerWaalsContact O-CG1 3.29Å; S48-I52 WeakPolarHBondContact O-CG1 3.39Å; S48-F101 WeakPolarHBondContact OG-CB 3.38Å; S48-F101 WeakPolarHBondContact OG-CD1 3.23Å; S48-F101 WeakPolarHBondContact OG-CG 3.46Å; S48-Q105 PolarHBondContact O-NE2 3.3Å; S48-Q105 PolarHBondContact O-OE1 2.74Å
49L94.9Very high95.2Very high113 Ų11355.4 Ų55.459%0.59232%0.315SS*.THydrogen-bonded Turntrans-102.9-11.5-177.6-59.3176.2000113.3G46 S47 K51 I52 P53G46-L49 PolarHBondContact O-N 3.49Å; S47-L49 PolarHBondContact O-N 3.17Å; L49-K51 PolarHBondContact O-N 3.4Å; L49-I52 PolarHBondContact O-N 3.35Å; L49-P53 WeakPolarHBondContact O-CD 3.4Å
50V93.1Very high95.1Very high90 Ų9060.4 Ų60.455%0.54533%0.334SS..SBendtrans-64.2-45.7-168.1171.40000113G46 S47 L102G46-V50 WeakPolarHBondContact O-CG2 3.31Å; S47-V50 PolarHBondContact O-N 2.86Å; V50-L102 HydrophobicContact CB-CD2 4.41Å
51K94.8Very high95Very high31 Ų3164.3 Ų64.314%0.13536%0.36CS..SBendtrans-95.6-8.3-175.1-58.6-71.9-167.4167.30112.3L49 Q54 V55 E75 Q105 N106 L109L49-K51 PolarHBondContact O-N 3.4Å; K51-Q54 WeakPolarHBondContact O-CB 3.41Å; K51-Q54 PolarHBondContact O-N 3.46Å; K51-V55 PolarHBondContact O-N 3.23Å; K51-E75 WeakPolarHBondContact CE-OE2 3.15Å; K51-E75 IonicContact NZ-OE1 3.13Å; K51-E75 PolarHBondContact NZ-OE1 2.95Å; K51-E75 IonicContact NZ-OE2 3.3Å; K51-E75 PolarHBondContact NZ-OE2 3.06Å; K51-Q105 HydrophobicContact CB-CB 3.76Å; K51-Q105 HydrophobicContact CB-CG 4.36Å; K51-Q105 HydrophobicContact CG-CB 4.19Å; K51-N106 WeakPolarHBondContact CE-OD1 3.31Å; K51-L109 HydrophobicContact CB-CD1 4.14Å; K51-L109 HydrophobicContact CD-CD1 4.05Å; K51-L109 HydrophobicContact CG-CD1 4.36Å
52I94.1Very high94.8Very high65 Ų6568.4 Ų68.433%0.33338%0.38SS..Hα-helixtrans-53.9-45.4179.4-60.2-60.5000112.9S48 L49 Q54 V55 I56 Q105S48-I52 VanDerWaalsContact O-CG1 3.29Å; S48-I52 WeakPolarHBondContact O-CG1 3.39Å; L49-I52 PolarHBondContact O-N 3.35Å; I52-Q54 VanDerWaalsContact C-N 3.26Å; I52-Q54 PolarHBondContact O-N 2.66Å; I52-V55 PolarHBondContact O-N 3.44Å; I52-I56 HydrophobicContact CG2-CD1 3.7Å; I52-I56 HydrophobicContact CG2-CG1 4.29Å; I52-I56 WeakPolarHBondContact O-CG1 2.84Å; I52-I56 PolarHBondContact O-N 3.4Å; I52-Q105 HydrophobicContact CD1-CG 4.24Å
53P94.9Very high94.6Very high87 Ų8770.8 Ų70.857%0.56538%0.382SS*.Hα-helixtrans-59.3-37.5176.6-25.235.3000113L49 K57L49-P53 WeakPolarHBondContact O-CD 3.4Å; P53-K57 WeakPolarHBondContact O-CB 3.38Å; P53-K57 PolarHBondContact O-N 2.93Å
54Q94.4Very high94.4Very high59 Ų5969.2 Ų69.228%0.27638%0.375SS..Hα-helixtrans-69.1-44.8178.1-170.3177.80.300111.1K51 I52 I56 K57 I58 L109K51-Q54 WeakPolarHBondContact O-CB 3.41Å; K51-Q54 PolarHBondContact O-N 3.46Å; I52-Q54 VanDerWaalsContact C-N 3.26Å; I52-Q54 PolarHBondContact O-N 2.66Å; Q54-I56 PolarHBondContact O-N 2.83Å; Q54-K57 PolarHBondContact O-N 3.47Å; Q54-I58 HydrophobicContact CG-CD1 4.33Å; Q54-I58 WeakPolarHBondContact O-CG1 3.4Å; Q54-I58 PolarHBondContact O-N 3.49Å; Q54-L109 HydrophobicContact CB-CD2 4.25Å; Q54-L109 HydrophobicContact CG-CD1 4.37Å; Q54-L109 HydrophobicContact CG-CD2 3.85Å
55V94.9Very high94.1Very high25 Ų2577.8 Ų77.815%0.15241%0.412CS..Hα-helixtrans-56.6-49174.3171.50000110.5K51 I52 K57 I58 A59 L109 M112K51-V55 PolarHBondContact O-N 3.23Å; I52-V55 PolarHBondContact O-N 3.44Å; V55-K57 VanDerWaalsContact C-N 3.33Å; V55-K57 PolarHBondContact O-N 3.1Å; V55-I58 PolarHBondContact O-N 3.4Å; V55-A59 WeakPolarHBondContact O-CB 3.49Å; V55-A59 PolarHBondContact O-N 3.18Å; V55-L109 HydrophobicContact CB-CD2 4.43Å; V55-L109 HydrophobicContact CG2-CD2 3.61Å; V55-L109 HydrophobicContact CG2-CG 3.86Å; V55-M112 HydrophobicContact CG1-CE 4.26Å; V55-M112 HydrophobicContact CG1-SD 3.89Å; V55-M112 VanDerWaalsContact O-CE 3.31Å; V55-M112 WeakPolarHBondContact O-CE 3.38Å
56I95.5Very high93.8Very high80 Ų8075.9 Ų75.941%0.4142%0.421SS..Hα-helixtrans-61.1-42.2178.5-66.7168.7000111.2I52 Q54 I58 A59 K60I52-I56 HydrophobicContact CG2-CD1 3.7Å; I52-I56 HydrophobicContact CG2-CG1 4.29Å; I52-I56 WeakPolarHBondContact O-CG1 2.84Å; I52-I56 PolarHBondContact O-N 3.4Å; Q54-I56 PolarHBondContact O-N 2.83Å; I56-I58 PolarHBondContact O-N 3.21Å; I56-A59 PolarHBondContact O-N 3.17Å; I56-K60 HydrophobicContact CG2-CD 4.05Å; I56-K60 HydrophobicContact CG2-CG 4.4Å; I56-K60 WeakPolarHBondContact O-CG 3.31Å; I56-K60 PolarHBondContact O-N 3.33Å
57K94.9Very high93.7Very high147 Ų14776.6 Ų76.664%0.63942%0.415SS*.Hα-helixtrans-59.8-47.7179.2-175.6177.3180-1800111.4P53 Q54 V55 K60 C61P53-K57 WeakPolarHBondContact O-CB 3.38Å; P53-K57 PolarHBondContact O-N 2.93Å; Q54-K57 PolarHBondContact O-N 3.47Å; V55-K57 VanDerWaalsContact C-N 3.33Å; V55-K57 PolarHBondContact O-N 3.1Å; K57-K60 PolarHBondContact O-N 3.03Å; K57-C61 WeakPolarHBondContact O-CB 3.32Å; K57-C61 PolarHBondContact O-N 3.41Å; K57-C61 PolarHBondContact O-SG 3.37Å; K57-C61 VanDerWaalsContact O-SG 3.4Å
58I94.8Very high93.8Very high7 Ų779 Ų794%0.03643%0.432CS..Hα-helixtrans-67.1-41.2179.6-54.3166.2000110.4Q54 V55 I56 K60 C61 K62 N63 A64 L67 L109 M112 W116Q54-I58 HydrophobicContact CG-CD1 4.33Å; Q54-I58 WeakPolarHBondContact O-CG1 3.4Å; Q54-I58 PolarHBondContact O-N 3.49Å; V55-I58 PolarHBondContact O-N 3.4Å; I56-I58 PolarHBondContact O-N 3.21Å; I58-K60 VanDerWaalsContact C-N 3.31Å; I58-K60 PolarHBondContact O-N 3.29Å; I58-C61 PolarHBondContact O-N 3.47Å; I58-K62 WeakPolarHBondContact O-CA 3.29Å; I58-K62 PolarHBondContact O-N 3.24Å; I58-N63 WeakPolarHBondContact CG2-O 3.06Å; I58-A64 HydrophobicContact CG2-CB 4.5Å; I58-L67 HydrophobicContact CD1-CD1 3.29Å; I58-L67 HydrophobicContact CG1-CD1 3.86Å; I58-L109 HydrophobicContact CD1-CD2 3.44Å; I58-L109 VanDerWaalsContact CD1-CD2 3.44Å; I58-M112 HydrophobicContact CB-CE 4Å; I58-M112 HydrophobicContact CG2-CB 4.4Å; I58-M112 HydrophobicContact CG2-CE 4.24Å; I58-W116 HydrophobicContact CB-CZ3 4.23Å; I58-W116 HydrophobicContact CG2-CD2 4.36Å; I58-W116 HydrophobicContact CG2-CE3 3.28Å; I58-W116 HydrophobicContact CG2-CH2 4.18Å; I58-W116 HydrophobicContact CG2-CZ3 3.17Å
59A93.9Very high93.8Very high50 Ų5079.3 Ų79.341%0.41343%0.431SS..Hα-helixtrans-58.5-41.717700000112.4V55 I56 M112V55-A59 WeakPolarHBondContact O-CB 3.49Å; V55-A59 PolarHBondContact O-N 3.18Å; I56-A59 PolarHBondContact O-N 3.17Å; A59-M112 HydrophobicContact CB-CE 3.64Å
60K95.7Very high93.8Very high170 Ų17079.4 Ų79.474%0.73943%0.432SS*.Hα-helixtrans-71.6-45.9178.2-72.9-177.9177.4-176.50112.4I56 K57 I58 K62I56-K60 HydrophobicContact CG2-CD 4.05Å; I56-K60 HydrophobicContact CG2-CG 4.4Å; I56-K60 WeakPolarHBondContact O-CG 3.31Å; I56-K60 PolarHBondContact O-N 3.33Å; K57-K60 PolarHBondContact O-N 3.03Å; I58-K60 VanDerWaalsContact C-N 3.31Å; I58-K60 PolarHBondContact O-N 3.29Å; K60-K62 VanDerWaalsContact C-N 3.34Å
61C93.5Very high93.9Very high83 Ų8377.8 Ų77.856%0.56143%0.425SS*.Hα-helixtrans-78.2-18.7-177.2-66.10000113.4K57 I58 N63K57-C61 WeakPolarHBondContact O-CB 3.32Å; K57-C61 PolarHBondContact O-N 3.41Å; K57-C61 PolarHBondContact O-SG 3.37Å; K57-C61 VanDerWaalsContact O-SG 3.4Å; I58-C61 PolarHBondContact O-N 3.47Å; C61-N63 PolarHBondContact O-N 3.48Å; C61-N63 VanDerWaalsContact O-N 3.16Å
62K92.4Very high94Very high153 Ų15376.9 Ų76.967%0.66542%0.421SS*.THydrogen-bonded Turntrans50.535.4-175.5-60.3-176.8177.1-179.10113.1I58 K60 W116I58-K62 WeakPolarHBondContact O-CA 3.29Å; I58-K62 PolarHBondContact O-N 3.24Å; K60-K62 VanDerWaalsContact C-N 3.34Å; K62-W116 PolarHBondContact O-NE1 2.94Å
63N91.4Very high94.2Very high90 Ų9076 Ų7648%0.48142%0.417SS..  trans-152.7145.1-179.4-175.54.1000108.7I58 C61 F65I58-N63 WeakPolarHBondContact CG2-O 3.06Å; C61-N63 PolarHBondContact O-N 3.48Å; C61-N63 VanDerWaalsContact O-N 3.16Å; N63-F65 PolarHBondContact OD1-N 2.92Å
64A90.8Very high94.2Very high4 Ų476.5 Ų76.53%0.03341%0.414CS..  trans-111.620-179.400000113.4I58 G66 L67 T113 W116I58-A64 HydrophobicContact CG2-CB 4.5Å; A64-G66 PolarHBondContact O-N 3.32Å; A64-L67 HydrophobicContact CB-CD1 4.2Å; A64-L67 WeakPolarHBondContact O-CB 3.48Å; A64-L67 PolarHBondContact O-N 3.4Å; A64-L67 VanDerWaalsContact O-N 3.13Å; A64-T113 HydrophobicContact CB-CG2 3.71Å; A64-W116 HydrophobicContact CB-CB 4.38Å
65F91Very high94.2Very high188 Ų18876.6 Ų76.683%0.82542%0.415SS*.THydrogen-bonded Turntrans-51.8133.6176.8-177.7-96.7000112.5N63 L67N63-F65 PolarHBondContact OD1-N 2.92Å; F65-L67 VanDerWaalsContact C-N 3.31Å
66G90.5Very high94.4Very high73 Ų7375.6 Ų75.675%0.75341%0.408SS*.THydrogen-bonded Turntrans83.7-4.4-17900000115.1A64A64-G66 PolarHBondContact O-N 3.32Å
67L92.9Very high94.4Very high53 Ų5376.6 Ų76.628%0.27741%0.413SS..  trans-89.3133.2175.5-59.6-178.4000111.4I58 A64 F65 I69 I72 T113I58-L67 HydrophobicContact CD1-CD1 3.29Å; I58-L67 HydrophobicContact CG1-CD1 3.86Å; A64-L67 HydrophobicContact CB-CD1 4.2Å; A64-L67 WeakPolarHBondContact O-CB 3.48Å; A64-L67 PolarHBondContact O-N 3.4Å; A64-L67 VanDerWaalsContact O-N 3.13Å; F65-L67 VanDerWaalsContact C-N 3.31Å; L67-I69 PolarHBondContact O-N 2.93Å; L67-I72 HydrophobicContact CB-CD1 4.33Å; L67-T113 HydrophobicContact CB-CG2 4.24Å
68S96Very high94.4Very high67 Ų6770.6 Ų70.647%0.46939%0.39SS..  trans-85.7110171.6175.60000110.1L70 S71 I72S68-L70 VanDerWaalsContact C-N 3.27Å; S68-L70 PolarHBondContact O-N 2.93Å; S68-S71 PolarHBondContact O-N 3.26Å; S68-S71 PolarHBondContact OG-N 2.88Å; S68-I72 WeakPolarHBondContact O-CG1 3.07Å; S68-I72 PolarHBondContact O-N 2.68Å; S68-I72 VanDerWaalsContact O-N 3.17Å
69I94.9Very high94.5Very high30 Ų3072.4 Ų72.415%0.15440%0.398CS..Hα-helixtrans-58-43.4174.7-67.1174.5000110.3L67 S71 I72 L73 T113 T117 Y118L67-I69 PolarHBondContact O-N 2.93Å; I69-S71 VanDerWaalsContact C-N 3.31Å; I69-S71 PolarHBondContact O-N 3.15Å; I69-I72 PolarHBondContact O-N 3.47Å; I69-L73 HydrophobicContact CG2-CD1 3.86Å; I69-L73 HydrophobicContact CG2-CG 4.11Å; I69-L73 VanDerWaalsContact O-CG 3.31Å; I69-L73 WeakPolarHBondContact O-CG 3.5Å; I69-L73 PolarHBondContact O-N 2.71Å; I69-T113 HydrophobicContact CD1-CG2 3.93Å; I69-T113 HydrophobicContact CG1-CG2 3.32Å; I69-T117 HydrophobicContact CD1-CG2 4.07Å; I69-Y118 HydrophobicContact CD1-CD2 4.1Å; I69-Y118 HydrophobicContact CD1-CE2 3.34Å
70L95.6Very high94.6Very high115 Ų11570.8 Ų70.860%0.60238%0.383SS*.Hα-helixtrans-58.5-44.1179.1-179.761.9000111.5S68 I72 L73 L74S68-L70 VanDerWaalsContact C-N 3.27Å; S68-L70 PolarHBondContact O-N 2.93Å; L70-I72 PolarHBondContact O-N 3.32Å; L70-L73 PolarHBondContact O-N 3.5Å; L70-L74 HydrophobicContact CD1-CD1 4.18Å; L70-L74 HydrophobicContact CD1-CG 4.16Å; L70-L74 HydrophobicContact CG-CD1 4.03Å; L70-L74 HydrophobicContact CG-CG 4.42Å; L70-L74 WeakPolarHBondContact O-CB 3.49Å; L70-L74 VanDerWaalsContact O-CG 3.31Å; L70-L74 WeakPolarHBondContact O-CG 3.21Å; L70-L74 PolarHBondContact O-N 3.09Å
71S95.2Very high94.6Very high57 Ų5763.1 Ų63.140%0.39935%0.35SS..Hα-helixtrans-61-44.8177.5-169.20000111.8S68 I69 L73 L74 E75S68-S71 PolarHBondContact O-N 3.26Å; S68-S71 PolarHBondContact OG-N 2.88Å; I69-S71 VanDerWaalsContact C-N 3.31Å; I69-S71 PolarHBondContact O-N 3.15Å; S71-L73 VanDerWaalsContact C-N 3.34Å; S71-L73 PolarHBondContact O-N 3.36Å; S71-L74 PolarHBondContact O-N 3.36Å; S71-E75 WeakPolarHBondContact O-CG 3.37Å; S71-E75 PolarHBondContact O-N 3.37Å
72I97.2Very high94.7Very high12 Ų1261 Ų616%0.06234%0.335CS..Hα-helixtrans-63.2-42.5179.2-63.6165.9000110.5L67 S68 I69 L70 E75 L76 N106 L109 A110 T113L67-I72 HydrophobicContact CB-CD1 4.33Å; S68-I72 WeakPolarHBondContact O-CG1 3.07Å; S68-I72 PolarHBondContact O-N 2.68Å; S68-I72 VanDerWaalsContact O-N 3.17Å; I69-I72 PolarHBondContact O-N 3.47Å; L70-I72 PolarHBondContact O-N 3.32Å; I72-E75 PolarHBondContact O-N 3.29Å; I72-L76 WeakPolarHBondContact O-CB 3.38Å; I72-L76 PolarHBondContact O-N 3.34Å; I72-N106 WeakPolarHBondContact CG2-O 3.14Å; I72-L109 HydrophobicContact CD1-CB 4.45Å; I72-L109 HydrophobicContact CG2-CB 4.14Å; I72-A110 HydrophobicContact CG2-CB 3.85Å; I72-T113 HydrophobicContact CD1-CG2 4.34Å
73L97Very high94.9Very high47 Ų4754.2 Ų54.225%0.24631%0.307CS..Hα-helixtrans-66.5-41.3178.7-67.3-178.4000112.5I69 L70 S71 L76 I77 A110 F126I69-L73 HydrophobicContact CG2-CD1 3.86Å; I69-L73 HydrophobicContact CG2-CG 4.11Å; I69-L73 VanDerWaalsContact O-CG 3.31Å; I69-L73 WeakPolarHBondContact O-CG 3.5Å; I69-L73 PolarHBondContact O-N 2.71Å; L70-L73 PolarHBondContact O-N 3.5Å; S71-L73 VanDerWaalsContact C-N 3.34Å; S71-L73 PolarHBondContact O-N 3.36Å; L73-L76 WeakPolarHBondContact O-CB 3.48Å; L73-L76 PolarHBondContact O-N 3.49Å; L73-I77 VanDerWaalsContact O-CG1 3.3Å; L73-I77 WeakPolarHBondContact O-CG1 3.38Å; L73-I77 PolarHBondContact O-N 2.85Å; L73-A110 HydrophobicContact CD2-CB 4.33Å; L73-F126 HydrophobicContact CD2-CD2 4.29Å; L73-F126 HydrophobicContact CD2-CE2 3.32Å; L73-F126 HydrophobicContact CD2-CZ 3.47Å; L73-F126 VanDerWaalsContact CD2-CZ 3.47Å
74L95.4Very high95.1Very high97 Ų9750.1 Ų50.151%0.50829%0.285SS..Hα-helixtrans-64.8-41.9176.9-71.9174.5000111.7L70 S71 L76 I77 S78L70-L74 HydrophobicContact CD1-CD1 4.18Å; L70-L74 HydrophobicContact CD1-CG 4.16Å; L70-L74 HydrophobicContact CG-CD1 4.03Å; L70-L74 HydrophobicContact CG-CG 4.42Å; L70-L74 WeakPolarHBondContact O-CB 3.49Å; L70-L74 VanDerWaalsContact O-CG 3.31Å; L70-L74 WeakPolarHBondContact O-CG 3.21Å; L70-L74 PolarHBondContact O-N 3.09Å; S71-L74 PolarHBondContact O-N 3.36Å; L74-L76 VanDerWaalsContact C-N 3.32Å; L74-L76 PolarHBondContact O-N 2.99Å; L74-I77 PolarHBondContact O-N 3.48Å; L74-S78 VanDerWaalsContact O-CB 3.32Å; L74-S78 WeakPolarHBondContact O-CB 3.29Å; L74-S78 PolarHBondContact O-N 3.14Å
75E95.6Very high95.4Very high61 Ų6150.2 Ų50.229%0.28529%0.285SS..Hα-helixtrans-61.9-41.7173-71.7-174.7178.300111.4K51 S71 I72 S78 F79 N106K51-E75 WeakPolarHBondContact CE-OE2 3.15Å; K51-E75 IonicContact NZ-OE1 3.13Å; K51-E75 PolarHBondContact NZ-OE1 2.95Å; K51-E75 IonicContact NZ-OE2 3.3Å; K51-E75 PolarHBondContact NZ-OE2 3.06Å; S71-E75 WeakPolarHBondContact O-CG 3.37Å; S71-E75 PolarHBondContact O-N 3.37Å; I72-E75 PolarHBondContact O-N 3.29Å; E75-S78 WeakPolarHBondContact O-CB 3.39Å; E75-S78 PolarHBondContact O-N 3.08Å; E75-F79 HydrophobicContact CB-CD2 4.37Å; E75-F79 HydrophobicContact CB-CE2 4.07Å; E75-F79 WeakPolarHBondContact O-CD2 3.36Å; E75-F79 PolarHBondContact O-N 3.15Å; E75-N106 VanDerWaalsContact CB-ND2 3.29Å; E75-N106 WeakPolarHBondContact CB-ND2 3.21Å; E75-N106 PolarHBondContact OE2-ND2 3.35Å; E75-N106 PolarHBondContact OE2-OD1 3.19Å
76L97.3Very high95.7Very high3 Ų341.3 Ų41.32%0.01625%0.246CC..Hα-helixtrans-62.8-46.7178.7-172.363.8000111.9I72 L73 L74 S78 T80 A103 N106 F107 F126 Y130I72-L76 WeakPolarHBondContact O-CB 3.38Å; I72-L76 PolarHBondContact O-N 3.34Å; L73-L76 WeakPolarHBondContact O-CB 3.48Å; L73-L76 PolarHBondContact O-N 3.49Å; L74-L76 VanDerWaalsContact C-N 3.32Å; L74-L76 PolarHBondContact O-N 2.99Å; L76-S78 VanDerWaalsContact C-N 3.28Å; L76-S78 PolarHBondContact O-N 2.8Å; L76-T80 VanDerWaalsContact O-CB 3.31Å; L76-T80 WeakPolarHBondContact O-CB 3.46Å; L76-T80 PolarHBondContact O-N 3.36Å; L76-T80 VanDerWaalsContact O-N 3.08Å; L76-T80 PolarHBondContact O-OG1 3.45Å; L76-A103 HydrophobicContact CD1-CB 4.22Å; L76-A103 WeakPolarHBondContact CD1-O 3.24Å; L76-N106 HydrophobicContact CB-CB 4.45Å; L76-N106 HydrophobicContact CD1-CB 4.07Å; L76-F107 HydrophobicContact CD1-CB 3.99Å; L76-F107 HydrophobicContact CD2-CB 4.45Å; L76-F107 HydrophobicContact CD2-CD2 4.26Å; L76-F126 HydrophobicContact CD2-CE1 4.42Å; L76-F126 HydrophobicContact CD2-CZ 3.72Å; L76-Y130 HydrophobicContact CD1-CE1 4.32Å; L76-Y130 HydrophobicContact CD1-CE2 4.09Å; L76-Y130 WeakPolarHBondContact CD1-OH 3.5Å; L76-Y130 HydrophobicContact CD2-CD2 3.86Å; L76-Y130 HydrophobicContact CD2-CE1 4.26Å; L76-Y130 HydrophobicContact CD2-CE2 3.55Å; L76-Y130 HydrophobicContact CD2-CG 4.34Å; L76-Y130 HydrophobicContact CG-CD2 4.35Å; L76-Y130 HydrophobicContact CG-CE2 3.56Å
77I95.9Very high95.9Very high101 Ų10142.6 Ų42.652%0.51823%0.232SC..Hα-helixtrans-59.7-43.3176-69.7164.6000110.3L73 L74 S81L73-I77 VanDerWaalsContact O-CG1 3.3Å; L73-I77 WeakPolarHBondContact O-CG1 3.38Å; L73-I77 PolarHBondContact O-N 2.85Å; L74-I77 PolarHBondContact O-N 3.48Å; I77-S81 VanDerWaalsContact O-CB 3.23Å; I77-S81 WeakPolarHBondContact O-CB 3.45Å; I77-S81 PolarHBondContact O-N 3.22Å; I77-S81 PolarHBondContact O-OG 2.85Å
78S95Very high96.1Very high21 Ų2142.7 Ų42.715%0.14724%0.241CC..Hα-helixtrans-60.8-56.4-179.5-174.80000112.3L74 E75 L76 T80 S81 V82 N154L74-S78 VanDerWaalsContact O-CB 3.32Å; L74-S78 WeakPolarHBondContact O-CB 3.29Å; L74-S78 PolarHBondContact O-N 3.14Å; E75-S78 WeakPolarHBondContact O-CB 3.39Å; E75-S78 PolarHBondContact O-N 3.08Å; L76-S78 VanDerWaalsContact C-N 3.28Å; L76-S78 PolarHBondContact O-N 2.8Å; S78-T80 VanDerWaalsContact C-N 3.33Å; S78-T80 PolarHBondContact O-N 3.26Å; S78-S81 PolarHBondContact O-N 2.97Å; S78-V82 WeakPolarHBondContact O-CG2 3.15Å; S78-V82 PolarHBondContact O-N 3.35Å; S78-N154 WeakPolarHBondContact CA-OD1 3.33Å; S78-N154 WeakPolarHBondContact CB-OD1 3.39Å; S78-N154 PolarHBondContact OG-OD1 3.38Å
79F96.6Very high96.1Very high46 Ų4642.1 Ų42.120%0.20223%0.232CC..Hα-helixtrans-63.1-38.1-178.8-67.2-50.8000113E75 S83 L102 A103 N106E75-F79 HydrophobicContact CB-CD2 4.37Å; E75-F79 HydrophobicContact CB-CE2 4.07Å; E75-F79 WeakPolarHBondContact O-CD2 3.36Å; E75-F79 PolarHBondContact O-N 3.15Å; F79-S83 VanDerWaalsContact O-CB 3.24Å; F79-S83 WeakPolarHBondContact O-CB 3.15Å; F79-S83 PolarHBondContact O-N 3Å; F79-S83 PolarHBondContact O-OG 2.93Å; F79-L102 HydrophobicContact CD1-CB 4.19Å; F79-L102 HydrophobicContact CD1-CD1 4.26Å; F79-L102 HydrophobicContact CD2-CB 3.78Å; F79-L102 HydrophobicContact CE1-CB 4.22Å; F79-L102 HydrophobicContact CE1-CD1 3.69Å; F79-L102 HydrophobicContact CE2-CB 3.81Å; F79-L102 HydrophobicContact CE2-CD1 4.39Å; F79-L102 HydrophobicContact CG-CB 4Å; F79-L102 HydrophobicContact CZ-CB 4.05Å; F79-L102 HydrophobicContact CZ-CD1 3.77Å; F79-L102 HydrophobicContact CZ-CG 4.41Å; F79-A103 HydrophobicContact CB-CB 3.92Å; F79-N106 WeakPolarHBondContact CE2-ND2 3.29Å
80T97.1Very high96.1Very high16 Ų1643.8 Ų43.810%0.09826%0.257CS..Hα-helixtrans-70-40.2178.8-59.90000112L76 S78 S83 A84 Y130 I134 L137L76-T80 VanDerWaalsContact O-CB 3.31Å; L76-T80 WeakPolarHBondContact O-CB 3.46Å; L76-T80 PolarHBondContact O-N 3.36Å; L76-T80 VanDerWaalsContact O-N 3.08Å; L76-T80 PolarHBondContact O-OG1 3.45Å; S78-T80 VanDerWaalsContact C-N 3.33Å; S78-T80 PolarHBondContact O-N 3.26Å; T80-S83 PolarHBondContact O-N 3.31Å; T80-A84 VanDerWaalsContact O-CB 3.27Å; T80-A84 WeakPolarHBondContact O-CB 3.33Å; T80-A84 PolarHBondContact O-N 3.29Å; T80-Y130 HydrophobicContact CG2-CE2 4.44Å; T80-Y130 PolarHBondContact OG1-OH 3.26Å; T80-I134 HydrophobicContact CG2-CG1 3.93Å; T80-L137 HydrophobicContact CG2-CD1 3.78Å
81S95.2Very high96.1Very high8 Ų839.5 Ų39.56%0.05623%0.233CC..Hα-helixtrans-61.5-47.9175.7-62.40000111.6I77 S78 S83 A84 Y85I77-S81 VanDerWaalsContact O-CB 3.23Å; I77-S81 WeakPolarHBondContact O-CB 3.45Å; I77-S81 PolarHBondContact O-N 3.22Å; I77-S81 PolarHBondContact O-OG 2.85Å; S78-S81 PolarHBondContact O-N 2.97Å; S81-S83 VanDerWaalsContact C-N 3.33Å; S81-S83 PolarHBondContact O-N 2.93Å; S81-A84 PolarHBondContact O-N 3.04Å; S81-Y85 WeakPolarHBondContact O-CB 3.26Å; S81-Y85 PolarHBondContact O-N 2.93Å
82V95.1Very high96Very high39 Ų3938.6 Ų38.624%0.23623%0.226CC..Hα-helixtrans-63.8-41179.2176.20000111.1S78 S86 N154S78-V82 WeakPolarHBondContact O-CG2 3.15Å; S78-V82 PolarHBondContact O-N 3.35Å; V82-S86 WeakPolarHBondContact O-CB 3.48Å; V82-S86 PolarHBondContact O-N 3.43Å; V82-S86 PolarHBondContact O-OG 3.35Å; V82-N154 HydrophobicContact CG2-CB 4.42Å
83S96.6Very high95.9Very high11 Ų1141.6 Ų41.68%0.07724%0.239CC..Hα-helixtrans-69.4-40179.4-58.60000112.1F79 T80 S81 S86 H87 V100F79-S83 VanDerWaalsContact O-CB 3.24Å; F79-S83 WeakPolarHBondContact O-CB 3.15Å; F79-S83 PolarHBondContact O-N 3Å; F79-S83 PolarHBondContact O-OG 2.93Å; T80-S83 PolarHBondContact O-N 3.31Å; S81-S83 VanDerWaalsContact C-N 3.33Å; S81-S83 PolarHBondContact O-N 2.93Å; S83-S86 PolarHBondContact O-N 3.32Å; S83-H87 WeakPolarHBondContact O-CB 3.49Å; S83-H87 PolarHBondContact O-N 3.43Å; S83-V100 PolarHBondContact OG-N 2.96Å
84A96.8Very high95.8Very high3 Ų339.4 Ų39.43%0.02523%0.227CC..Hα-helixtrans-65.4-44.2176.100000111.6T80 S81 S86 H87 A88 L137 L138 L147T80-A84 VanDerWaalsContact O-CB 3.27Å; T80-A84 WeakPolarHBondContact O-CB 3.33Å; T80-A84 PolarHBondContact O-N 3.29Å; S81-A84 PolarHBondContact O-N 3.04Å; A84-S86 PolarHBondContact O-N 3.36Å; A84-H87 PolarHBondContact O-N 2.97Å; A84-A88 WeakPolarHBondContact O-CB 3.31Å; A84-A88 PolarHBondContact O-N 2.99Å; A84-L137 HydrophobicContact CB-CB 3.94Å; A84-L138 HydrophobicContact CB-CD2 4.41Å; A84-L147 HydrophobicContact CB-CD2 3.92Å
85Y96.5Very high95.8Very high6 Ų634.9 Ų34.92%0.02420%0.204CC..Hα-helixtrans-56.9-48.5172.3169.1-100.4000111.6S81 H87 A88 N89 F91 L147 I148 Q151 D203 L205S81-Y85 WeakPolarHBondContact O-CB 3.26Å; S81-Y85 PolarHBondContact O-N 2.93Å; Y85-H87 VanDerWaalsContact C-N 3.34Å; Y85-H87 PolarHBondContact O-N 2.95Å; Y85-A88 PolarHBondContact O-N 3.39Å; Y85-N89 VanDerWaalsContact CD2-ND2 3.29Å; Y85-N89 WeakPolarHBondContact CD2-ND2 3.31Å; Y85-N89 WeakPolarHBondContact CE2-ND2 3.44Å; Y85-N89 PolarHBondContact O-N 3.41Å; Y85-N89 PolarHBondContact O-ND2 3.38Å; Y85-F91 AromaticContact CE1-CE2 3.93Å; Y85-F91 HydrophobicContact CE1-CE2 3.93Å; Y85-L147 HydrophobicContact CD2-CB 4.33Å; Y85-I148 HydrophobicContact CD2-CG1 4.21Å; Y85-I148 HydrophobicContact CE2-CG1 3.7Å; Y85-Q151 HydrophobicContact CD1-CB 4.13Å; Y85-Q151 HydrophobicContact CD1-CG 3.77Å; Y85-Q151 HydrophobicContact CD2-CB 4.1Å; Y85-Q151 HydrophobicContact CD2-CG 4.48Å; Y85-Q151 HydrophobicContact CE1-CG 3.96Å; Y85-Q151 HydrophobicContact CG-CB 3.86Å; Y85-Q151 HydrophobicContact CG-CG 4.05Å; Y85-D203 VanDerWaalsContact OH-CG 3.27Å; Y85-D203 PolarHBondContact OH-OD1 2.65Å; Y85-D203 PolarHBondContact OH-OD2 3.14Å; Y85-L205 HydrophobicContact CE2-CD2 4.37Å
86S96.4Very high95.8Very high1 Ų133.3 Ų33.31%0.00720%0.195CC..Hα-helixtrans-65-39.4-178.1-57.50000112.2V82 S83 A84 G90 F91 Y96V82-S86 WeakPolarHBondContact O-CB 3.48Å; V82-S86 PolarHBondContact O-N 3.43Å; V82-S86 PolarHBondContact O-OG 3.35Å; S83-S86 PolarHBondContact O-N 3.32Å; A84-S86 PolarHBondContact O-N 3.36Å; S86-G90 PolarHBondContact O-N 3.4Å; S86-F91 PolarHBondContact O-N 3.43Å; S86-F91 VanDerWaalsContact O-N 3.14Å; S86-Y96 WeakPolarHBondContact OG-CB 3.32Å
87H96.4Very high95.7Very high101 Ų10133.1 Ų33.147%0.46820%0.195SC..Hα-helixtrans-64.9-45174.8-176.865.2000112S83 A84 Y85 N89 G90 L138S83-H87 WeakPolarHBondContact O-CB 3.49Å; S83-H87 PolarHBondContact O-N 3.43Å; A84-H87 PolarHBondContact O-N 2.97Å; Y85-H87 VanDerWaalsContact C-N 3.34Å; Y85-H87 PolarHBondContact O-N 2.95Å; H87-N89 VanDerWaalsContact C-N 3.28Å; H87-N89 PolarHBondContact O-N 3.22Å; H87-G90 PolarHBondContact O-N 3.29Å; H87-L138 HydrophobicContact CB-CD2 4.43Å
88A96.1Very high95.7Very high55 Ų5530 Ų3046%0.45518%0.178SC..Hα-helixtrans-64.5-30.3179.700000113.1A84 Y85 G90 L144 L147A84-A88 WeakPolarHBondContact O-CB 3.31Å; A84-A88 PolarHBondContact O-N 2.99Å; Y85-A88 PolarHBondContact O-N 3.39Å; A88-G90 VanDerWaalsContact C-N 3.25Å; A88-G90 PolarHBondContact O-N 3.44Å; A88-L144 HydrophobicContact CB-CD1 4.04Å; A88-L147 HydrophobicContact CB-CD1 3.45Å; A88-L147 VanDerWaalsContact CB-CD1 3.45Å
89N95.3Very high95.8Very high55 Ų5529.2 Ų29.229%0.29417%0.173SC..THydrogen-bonded Turntrans-81.1-0172.9-73.5-77.2000113.8Y85 H87 F91Y85-N89 VanDerWaalsContact CD2-ND2 3.29Å; Y85-N89 WeakPolarHBondContact CD2-ND2 3.31Å; Y85-N89 WeakPolarHBondContact CE2-ND2 3.44Å; Y85-N89 PolarHBondContact O-N 3.41Å; Y85-N89 PolarHBondContact O-ND2 3.38Å; H87-N89 VanDerWaalsContact C-N 3.28Å; H87-N89 PolarHBondContact O-N 3.22Å; N89-F91 HydrophobicContact CB-CD1 3.9Å; N89-F91 HydrophobicContact CB-CD2 4.17Å; N89-F91 HydrophobicContact CB-CE1 3.47Å; N89-F91 VanDerWaalsContact CB-CE1 3.47Å; N89-F91 HydrophobicContact CB-CE2 3.76Å; N89-F91 HydrophobicContact CB-CG 4.21Å; N89-F91 HydrophobicContact CB-CZ 3.36Å; N89-F91 PolarHBondContact O-N 3.13Å
90G95Very high95.8Very high65 Ų6529.2 Ų29.267%0.6718%0.177SC*.THydrogen-bonded Turntrans67.724.3179.500000113.7S86 H87 A88S86-G90 PolarHBondContact O-N 3.4Å; H87-G90 PolarHBondContact O-N 3.29Å; A88-G90 VanDerWaalsContact C-N 3.25Å; A88-G90 PolarHBondContact O-N 3.44Å
91F95.6Very high95.8Very high25 Ų2532.1 Ų32.111%0.1119%0.188CC..  trans-64.6148.1175.9-60.9-24.6000110.6Y85 S86 N89 Y96 T201 D203 M206Y85-F91 AromaticContact CE1-CE2 3.93Å; Y85-F91 HydrophobicContact CE1-CE2 3.93Å; S86-F91 PolarHBondContact O-N 3.43Å; S86-F91 VanDerWaalsContact O-N 3.14Å; N89-F91 HydrophobicContact CB-CD1 3.9Å; N89-F91 HydrophobicContact CB-CD2 4.17Å; N89-F91 HydrophobicContact CB-CE1 3.47Å; N89-F91 VanDerWaalsContact CB-CE1 3.47Å; N89-F91 HydrophobicContact CB-CE2 3.76Å; N89-F91 HydrophobicContact CB-CG 4.21Å; N89-F91 HydrophobicContact CB-CZ 3.36Å; N89-F91 PolarHBondContact O-N 3.13Å; F91-Y96 HydrophobicContact CB-CD1 4.32Å; F91-Y96 WeakPolarHBondContact O-CE1 3.47Å; F91-T201 HydrophobicContact CB-CG2 3.85Å; F91-T201 HydrophobicContact CD1-CG2 3.71Å; F91-T201 HydrophobicContact CD2-CG2 3.75Å; F91-T201 HydrophobicContact CE1-CG2 4.21Å; F91-T201 HydrophobicContact CE2-CG2 4.26Å; F91-T201 HydrophobicContact CG-CG2 3.48Å; F91-T201 VanDerWaalsContact CG-CG2 3.48Å; F91-T201 HydrophobicContact CZ-CG2 4.49Å; F91-D203 HydrophobicContact CE1-CB 4.02Å; F91-D203 HydrophobicContact CE2-CB 4.1Å; F91-D203 HydrophobicContact CZ-CB 3.38Å; F91-M206 HydrophobicContact CD2-SD 4.18Å; F91-M206 HydrophobicContact CE2-SD 4.22Å
92P94.3Very high95.9Very high37 Ų3732.8 Ų32.824%0.2419%0.191CC..  trans-65.9147.4176.628.4-35000110.8S94 A95 Y96 E200P92-S94 PolarHBondContact O-N 3.28Å; P92-S94 VanDerWaalsContact O-N 3.13Å; P92-A95 HydrophobicContact CG-CB 4.23Å; P92-A95 VanDerWaalsContact O-CB 3.29Å; P92-A95 WeakPolarHBondContact O-CB 3.31Å; P92-A95 PolarHBondContact O-N 2.61Å; P92-Y96 WeakPolarHBondContact O-CD1 3.48Å; P92-E200 VanDerWaalsContact CD-O 3.28Å; P92-E200 WeakPolarHBondContact CD-O 3.28Å; P92-E200 HydrophobicContact CG-CB 3.78Å; P92-E200 HydrophobicContact CG-CG 4.45Å; P92-E200 WeakPolarHBondContact CG-OE2 3.44Å
93F95.3Very high96.1Very high76 Ų7631.2 Ų31.233%0.33318%0.182SC..Hα-helixtrans-57.8-31.1-177.2-175.8-104.1000113.7Y41 I44 A95 Y96 G97 V100 F101Y41-F93 HydrophobicContact CE1-CD1 4.27Å; I44-F93 HydrophobicContact CD1-CD1 4.04Å; I44-F93 HydrophobicContact CD1-CE1 3.98Å; I44-F93 HydrophobicContact CG2-CE1 4.5Å; F93-A95 PolarHBondContact O-N 2.98Å; F93-A95 VanDerWaalsContact O-N 3.14Å; F93-Y96 HydrophobicContact CD2-CE2 4.35Å; F93-Y96 PolarHBondContact O-N 3.46Å; F93-G97 VanDerWaalsContact O-CA 3.27Å; F93-G97 WeakPolarHBondContact O-CA 3.36Å; F93-G97 PolarHBondContact O-N 3.48Å; F93-V100 HydrophobicContact CE2-CB 4.38Å; F93-V100 HydrophobicContact CE2-CG2 4.17Å; F93-F101 HydrophobicContact CE1-CE2 4.19Å; F93-F101 HydrophobicContact CZ-CD2 4.37Å; F93-F101 AromaticContact CZ-CE2 3.84Å; F93-F101 HydrophobicContact CZ-CE2 3.84Å
94S94.4Very high96.1Very high0 Ų034.9 Ų34.90%020%0.2CC..Hα-helixtrans-54.3-27.3172.237.90000113.9K37 G40 P92 R193 E200K37-S94 WeakPolarHBondContact CD-OG 3.48Å; K37-S94 PolarHBondContact NZ-OG 2.97Å; K37-S94 VanDerWaalsContact NZ-OG 3.13Å; G40-S94 WeakPolarHBondContact CA-O 3.49Å; P92-S94 PolarHBondContact O-N 3.28Å; P92-S94 VanDerWaalsContact O-N 3.13Å; S94-R193 PolarHBondContact O-NH1 2.9Å; S94-E200 PolarHBondContact OG-OE2 2.91Å
95A94.7Very high96.2Very high3 Ų335.1 Ų35.13%0.02520%0.201CC..Hα-helixtrans-84.5-28.1-174.400000113.9P92 F93 R193 E200 T201 M206P92-A95 HydrophobicContact CG-CB 4.23Å; P92-A95 VanDerWaalsContact O-CB 3.29Å; P92-A95 WeakPolarHBondContact O-CB 3.31Å; P92-A95 PolarHBondContact O-N 2.61Å; F93-A95 PolarHBondContact O-N 2.98Å; F93-A95 VanDerWaalsContact O-N 3.14Å; A95-R193 PolarHBondContact O-NH1 3.13Å; A95-E200 HydrophobicContact CB-CB 4.1Å; A95-T201 HydrophobicContact CB-CG2 3.78Å; A95-M206 HydrophobicContact CB-CE 4.1Å
96Y95.5Very high96.2Very high27 Ų2734.9 Ų34.911%0.10620%0.2CC..Hα-helixtrans-134.1-5.4-174.874.1-88.7000114.8S86 F91 P92 F93 E98 G99 V100S86-Y96 WeakPolarHBondContact OG-CB 3.32Å; F91-Y96 HydrophobicContact CB-CD1 4.32Å; F91-Y96 WeakPolarHBondContact O-CE1 3.47Å; P92-Y96 WeakPolarHBondContact O-CD1 3.48Å; F93-Y96 HydrophobicContact CD2-CE2 4.35Å; F93-Y96 PolarHBondContact O-N 3.46Å; Y96-E98 VanDerWaalsContact C-OE2 3.24Å; Y96-E98 PolarHBondContact O-N 2.96Å; Y96-G99 PolarHBondContact O-N 2.87Å; Y96-V100 HydrophobicContact CD2-CG2 3.96Å; Y96-V100 HydrophobicContact CE2-CG2 3.79Å
97G96.8Very high96.3Very high0 Ų036.4 Ų36.40%021%0.206CC..Hα-helixtrans-59.6-23.8-171.500000113.9F93 G99 V100 F101F93-G97 VanDerWaalsContact O-CA 3.27Å; F93-G97 WeakPolarHBondContact O-CA 3.36Å; F93-G97 PolarHBondContact O-N 3.48Å; G97-G99 VanDerWaalsContact C-N 3.27Å; G97-G99 PolarHBondContact O-N 3.38Å; G97-V100 WeakPolarHBondContact O-CB 3.5Å; G97-V100 PolarHBondContact O-N 3.37Å; G97-F101 WeakPolarHBondContact O-CD2 3.32Å; G97-F101 PolarHBondContact O-N 3.26Å
98E96Very high96.3Very high35 Ų3535.2 Ų35.216%0.16420%0.203CC..Hα-helixtrans-64.2-35.8174.878-74.9-169.400111.5I43 I44 Y96 V100 F101 L102 R193I43-E98 HydrophobicContact CG2-CB 4.19Å; I43-E98 HydrophobicContact CG2-CG 4.24Å; I44-E98 HydrophobicContact CG1-CB 4.34Å; Y96-E98 VanDerWaalsContact C-OE2 3.24Å; Y96-E98 PolarHBondContact O-N 2.96Å; E98-V100 VanDerWaalsContact C-N 3.28Å; E98-V100 PolarHBondContact O-N 3.27Å; E98-F101 PolarHBondContact O-N 2.98Å; E98-L102 WeakPolarHBondContact O-CB 3.34Å; E98-L102 VanDerWaalsContact O-CG 3.24Å; E98-L102 WeakPolarHBondContact O-CG 3.3Å; E98-L102 PolarHBondContact O-N 3.3Å; E98-R193 IonicContact OE1-CZ 2.98Å; E98-R193 IonicContact OE1-NE 3.37Å; E98-R193 PolarHBondContact OE1-NE 3.43Å; E98-R193 IonicContact OE1-NH1 3.08Å; E98-R193 PolarHBondContact OE1-NH1 3.48Å; E98-R193 IonicContact OE1-NH2 2.62Å; E98-R193 PolarHBondContact OE1-NH2 2.9Å; E98-R193 VanDerWaalsContact OE1-NH2 3.13Å; E98-R193 IonicContact OE2-CZ 2.94Å; E98-R193 IonicContact OE2-NE 2.74Å; E98-R193 IonicContact OE2-NH1 2.85Å; E98-R193 PolarHBondContact OE2-NH1 2.87Å; E98-R193 VanDerWaalsContact OE2-NH1 3.08Å; E98-R193 IonicContact OE2-NH2 3.87Å; E98-R193 PolarHBondContact OE2-NH2 3.3Å
99G95.6Very high96.4Very high5 Ų532.6 Ų32.65%0.05218%0.181CC..Hα-helixtrans-62-39.2175.200000111.1Y96 G97 L102 A103Y96-G99 PolarHBondContact O-N 2.87Å; G97-G99 VanDerWaalsContact C-N 3.27Å; G97-G99 PolarHBondContact O-N 3.38Å; G99-L102 PolarHBondContact O-N 3.49Å; G99-A103 VanDerWaalsContact O-CB 3.26Å; G99-A103 WeakPolarHBondContact O-CB 3.28Å; G99-A103 PolarHBondContact O-N 3.46Å
100V97.6Very high96.5Very high45 Ų4530.1 Ų30.127%0.27317%0.168SC..Hα-helixtrans-62.9-49.2176.6-179.30000111S83 F93 Y96 G97 E98 L102 A103 I104S83-V100 PolarHBondContact OG-N 2.96Å; F93-V100 HydrophobicContact CE2-CB 4.38Å; F93-V100 HydrophobicContact CE2-CG2 4.17Å; Y96-V100 HydrophobicContact CD2-CG2 3.96Å; Y96-V100 HydrophobicContact CE2-CG2 3.79Å; G97-V100 WeakPolarHBondContact O-CB 3.5Å; G97-V100 PolarHBondContact O-N 3.37Å; E98-V100 VanDerWaalsContact C-N 3.28Å; E98-V100 PolarHBondContact O-N 3.27Å; V100-L102 PolarHBondContact O-N 2.71Å; V100-A103 PolarHBondContact O-N 3.02Å; V100-I104 HydrophobicContact CG1-CD1 4.14Å; V100-I104 WeakPolarHBondContact O-CG1 3.32Å; V100-I104 PolarHBondContact O-N 2.95Å
101F97.8Very high96.7Very high78 Ų7829 Ų2934%0.34215%0.147SC..Hα-helixtrans-67.3-35.8178.9-78.9-81000112.9I44 S48 F93 G97 E98 I104 Q105I44-F101 HydrophobicContact CG2-CD2 3.61Å; I44-F101 HydrophobicContact CG2-CE2 3.59Å; S48-F101 WeakPolarHBondContact OG-CB 3.38Å; S48-F101 WeakPolarHBondContact OG-CD1 3.23Å; S48-F101 WeakPolarHBondContact OG-CG 3.46Å; F93-F101 HydrophobicContact CE1-CE2 4.19Å; F93-F101 HydrophobicContact CZ-CD2 4.37Å; F93-F101 AromaticContact CZ-CE2 3.84Å; F93-F101 HydrophobicContact CZ-CE2 3.84Å; G97-F101 WeakPolarHBondContact O-CD2 3.32Å; G97-F101 PolarHBondContact O-N 3.26Å; E98-F101 PolarHBondContact O-N 2.98Å; F101-I104 PolarHBondContact O-N 3.17Å; F101-Q105 WeakPolarHBondContact O-CG 3.23Å; F101-Q105 PolarHBondContact O-N 3.38Å; F101-Q105 VanDerWaalsContact O-N 3.08Å; F101-Q105 PolarHBondContact O-NE2 2.83Å
102L97.3Very high96.7Very high22 Ų2229.1 Ų29.112%0.11515%0.148CC..Hα-helixtrans-67.2-39.3174-72.4167.7000111.4V50 F79 E98 G99 V100 Q105 N106V50-L102 HydrophobicContact CB-CD2 4.41Å; F79-L102 HydrophobicContact CD1-CB 4.19Å; F79-L102 HydrophobicContact CD1-CD1 4.26Å; F79-L102 HydrophobicContact CD2-CB 3.78Å; F79-L102 HydrophobicContact CE1-CB 4.22Å; F79-L102 HydrophobicContact CE1-CD1 3.69Å; F79-L102 HydrophobicContact CE2-CB 3.81Å; F79-L102 HydrophobicContact CE2-CD1 4.39Å; F79-L102 HydrophobicContact CG-CB 4Å; F79-L102 HydrophobicContact CZ-CB 4.05Å; F79-L102 HydrophobicContact CZ-CD1 3.77Å; F79-L102 HydrophobicContact CZ-CG 4.41Å; E98-L102 WeakPolarHBondContact O-CB 3.34Å; E98-L102 VanDerWaalsContact O-CG 3.24Å; E98-L102 WeakPolarHBondContact O-CG 3.3Å; E98-L102 PolarHBondContact O-N 3.3Å; G99-L102 PolarHBondContact O-N 3.49Å; V100-L102 PolarHBondContact O-N 2.71Å; L102-Q105 PolarHBondContact O-N 2.86Å; L102-N106 WeakPolarHBondContact O-CB 3.46Å; L102-N106 PolarHBondContact O-N 3.19Å
103A97.8Very high96.8Very high6 Ų627.4 Ų27.45%0.0514%0.136CC..Hα-helixtrans-62.7-44.6174.200000111.7L76 F79 G99 V100 Q105 N106 F107L76-A103 HydrophobicContact CD1-CB 4.22Å; L76-A103 WeakPolarHBondContact CD1-O 3.24Å; F79-A103 HydrophobicContact CB-CB 3.92Å; G99-A103 VanDerWaalsContact O-CB 3.26Å; G99-A103 WeakPolarHBondContact O-CB 3.28Å; G99-A103 PolarHBondContact O-N 3.46Å; V100-A103 PolarHBondContact O-N 3.02Å; A103-Q105 PolarHBondContact O-N 3.49Å; A103-N106 PolarHBondContact O-N 2.83Å; A103-F107 VanDerWaalsContact O-CB 3.29Å; A103-F107 WeakPolarHBondContact O-CB 3.1Å; A103-F107 PolarHBondContact O-N 3.5Å
104I97.7Very high96.9Very high88 Ų8824.4 Ų24.445%0.45112%0.124SC..Hα-helixtrans-60.1-48.2176.5-69.1165.8000110.7V100 F101 N106 F107 L108V100-I104 HydrophobicContact CG1-CD1 4.14Å; V100-I104 WeakPolarHBondContact O-CG1 3.32Å; V100-I104 PolarHBondContact O-N 2.95Å; F101-I104 PolarHBondContact O-N 3.17Å; I104-N106 PolarHBondContact O-N 3.35Å; I104-F107 WeakPolarHBondContact O-CB 3.19Å; I104-F107 PolarHBondContact O-N 2.98Å; I104-L108 WeakPolarHBondContact O-CG 3.33Å; I104-L108 PolarHBondContact O-N 3.27Å
105Q97.5Very high97.1Very high8 Ų826 Ų264%0.03713%0.134CC..Hα-helixtrans-65-39.8179.7-68.6168.381.500112.1S47 S48 K51 I52 F101 L102 A103 F107 L108 L109S47-Q105 PolarHBondContact O-NE2 2.9Å; S48-Q105 PolarHBondContact O-NE2 3.3Å; S48-Q105 PolarHBondContact O-OE1 2.74Å; K51-Q105 HydrophobicContact CB-CB 3.76Å; K51-Q105 HydrophobicContact CB-CG 4.36Å; K51-Q105 HydrophobicContact CG-CB 4.19Å; I52-Q105 HydrophobicContact CD1-CG 4.24Å; F101-Q105 WeakPolarHBondContact O-CG 3.23Å; F101-Q105 PolarHBondContact O-N 3.38Å; F101-Q105 VanDerWaalsContact O-N 3.08Å; F101-Q105 PolarHBondContact O-NE2 2.83Å; L102-Q105 PolarHBondContact O-N 2.86Å; A103-Q105 PolarHBondContact O-N 3.49Å; Q105-F107 VanDerWaalsContact C-N 3.35Å; Q105-L108 WeakPolarHBondContact O-CB 3.13Å; Q105-L108 PolarHBondContact O-N 3.24Å; Q105-L109 WeakPolarHBondContact O-CG 3.34Å; Q105-L109 PolarHBondContact O-N 2.88Å
106N97.7Very high97.1Very high0 Ų030.3 Ų30.30%015%0.149CC..Hα-helixtrans-69.6-31.5175.9-85.8-19.9000112.9K51 I72 E75 L76 F79 L102 A103 I104 L109 A110K51-N106 WeakPolarHBondContact CE-OD1 3.31Å; I72-N106 WeakPolarHBondContact CG2-O 3.14Å; E75-N106 VanDerWaalsContact CB-ND2 3.29Å; E75-N106 WeakPolarHBondContact CB-ND2 3.21Å; E75-N106 PolarHBondContact OE2-ND2 3.35Å; E75-N106 PolarHBondContact OE2-OD1 3.19Å; L76-N106 HydrophobicContact CB-CB 4.45Å; L76-N106 HydrophobicContact CD1-CB 4.07Å; F79-N106 WeakPolarHBondContact CE2-ND2 3.29Å; L102-N106 WeakPolarHBondContact O-CB 3.46Å; L102-N106 PolarHBondContact O-N 3.19Å; A103-N106 PolarHBondContact O-N 2.83Å; I104-N106 PolarHBondContact O-N 3.35Å; N106-L109 PolarHBondContact O-N 2.88Å; N106-A110 WeakPolarHBondContact O-CB 3.23Å; N106-A110 PolarHBondContact O-N 2.96Å
107F98.1Very high97.1Very high33 Ų3332.4 Ų32.415%0.14517%0.165CC..Hα-helixtrans-63.3-44.6171.6178.2-116.7000111.2L76 A103 I104 Q105 L109 A110 I111 F126 Y130L76-F107 HydrophobicContact CD1-CB 3.99Å; L76-F107 HydrophobicContact CD2-CB 4.45Å; L76-F107 HydrophobicContact CD2-CD2 4.26Å; A103-F107 VanDerWaalsContact O-CB 3.29Å; A103-F107 WeakPolarHBondContact O-CB 3.1Å; A103-F107 PolarHBondContact O-N 3.5Å; I104-F107 WeakPolarHBondContact O-CB 3.19Å; I104-F107 PolarHBondContact O-N 2.98Å; Q105-F107 VanDerWaalsContact C-N 3.35Å; F107-L109 PolarHBondContact O-N 2.96Å; F107-A110 WeakPolarHBondContact O-CB 3.42Å; F107-A110 PolarHBondContact O-N 2.89Å; F107-I111 HydrophobicContact CD1-CD1 3.94Å; F107-I111 HydrophobicContact CD2-CD1 4.4Å; F107-I111 HydrophobicContact CE1-CD1 3.41Å; F107-I111 VanDerWaalsContact CE1-CD1 3.41Å; F107-I111 HydrophobicContact CE1-CG1 4.46Å; F107-I111 HydrophobicContact CE2-CD1 3.91Å; F107-I111 HydrophobicContact CE2-CG1 4.17Å; F107-I111 HydrophobicContact CG-CD1 4.43Å; F107-I111 HydrophobicContact CZ-CD1 3.42Å; F107-I111 VanDerWaalsContact CZ-CD1 3.42Å; F107-I111 HydrophobicContact CZ-CG1 4.18Å; F107-I111 PolarHBondContact O-N 2.96Å; F107-F126 AromaticContact CD2-CE1 3.89Å; F107-F126 HydrophobicContact CD2-CE1 3.89Å; F107-F126 HydrophobicContact CE2-CD1 4.35Å; F107-F126 AromaticContact CE2-CE1 3.88Å; F107-F126 HydrophobicContact CE2-CE1 3.88Å; F107-Y130 HydrophobicContact CB-CE1 4.18Å; F107-Y130 AromaticContact CD2-CD1 3.24Å; F107-Y130 HydrophobicContact CD2-CD1 3.24Å; F107-Y130 AromaticContact CD2-CE1 3.51Å; F107-Y130 HydrophobicContact CD2-CE1 3.51Å; F107-Y130 HydrophobicContact CD2-CG 4Å; F107-Y130 AromaticContact CE2-CD1 3.25Å; F107-Y130 HydrophobicContact CE2-CD1 3.25Å; F107-Y130 AromaticContact CE2-CE1 3.97Å; F107-Y130 HydrophobicContact CE2-CE1 3.97Å; F107-Y130 AromaticContact CE2-CG 3.92Å; F107-Y130 HydrophobicContact CE2-CG 3.92Å; F107-Y130 HydrophobicContact CG-CD1 4.04Å; F107-Y130 AromaticContact CG-CE1 3.89Å; F107-Y130 HydrophobicContact CG-CE1 3.89Å; F107-Y130 HydrophobicContact CZ-CD1 4.02Å
108L97.5Very high97Very high77 Ų7739 Ų3940%0.40319%0.191SC..Hα-helixtrans-59.2-47.7173.1-66.9176000111I104 Q105 A110 I111 M112I104-L108 WeakPolarHBondContact O-CG 3.33Å; I104-L108 PolarHBondContact O-N 3.27Å; Q105-L108 WeakPolarHBondContact O-CB 3.13Å; Q105-L108 PolarHBondContact O-N 3.24Å; L108-A110 VanDerWaalsContact C-N 3.28Å; L108-A110 PolarHBondContact O-N 3.39Å; L108-I111 PolarHBondContact O-N 3.06Å; L108-M112 WeakPolarHBondContact O-CB 3.43Å; L108-M112 WeakPolarHBondContact O-CG 3.35Å; L108-M112 PolarHBondContact O-N 3.23Å
109L97.2Very high97Very high0 Ų039.3 Ų39.30%020%0.197CC..Hα-helixtrans-58.6-38.5175.6-72.2178.3000112.5K51 Q54 V55 I58 I72 Q105 N106 F107 T113K51-L109 HydrophobicContact CB-CD1 4.14Å; K51-L109 HydrophobicContact CD-CD1 4.05Å; K51-L109 HydrophobicContact CG-CD1 4.36Å; Q54-L109 HydrophobicContact CB-CD2 4.25Å; Q54-L109 HydrophobicContact CG-CD1 4.37Å; Q54-L109 HydrophobicContact CG-CD2 3.85Å; V55-L109 HydrophobicContact CB-CD2 4.43Å; V55-L109 HydrophobicContact CG2-CD2 3.61Å; V55-L109 HydrophobicContact CG2-CG 3.86Å; I58-L109 HydrophobicContact CD1-CD2 3.44Å; I58-L109 VanDerWaalsContact CD1-CD2 3.44Å; I72-L109 HydrophobicContact CD1-CB 4.45Å; I72-L109 HydrophobicContact CG2-CB 4.14Å; Q105-L109 WeakPolarHBondContact O-CG 3.34Å; Q105-L109 PolarHBondContact O-N 2.88Å; N106-L109 PolarHBondContact O-N 2.88Å; F107-L109 PolarHBondContact O-N 2.96Å; L109-T113 WeakPolarHBondContact O-CB 3.26Å; L109-T113 PolarHBondContact O-N 3.01Å; L109-T113 PolarHBondContact O-OG1 3.45Å
110A98Very high97Very high2 Ų246 Ų462%0.01723%0.227CC..Hα-helixtrans-65.9-51.4177.900000111.5I72 L73 N106 F107 L108 M112 T113 I114 F126I72-A110 HydrophobicContact CG2-CB 3.85Å; L73-A110 HydrophobicContact CD2-CB 4.33Å; N106-A110 WeakPolarHBondContact O-CB 3.23Å; N106-A110 PolarHBondContact O-N 2.96Å; F107-A110 WeakPolarHBondContact O-CB 3.42Å; F107-A110 PolarHBondContact O-N 2.89Å; L108-A110 VanDerWaalsContact C-N 3.28Å; L108-A110 PolarHBondContact O-N 3.39Å; A110-M112 VanDerWaalsContact C-N 3.31Å; A110-M112 PolarHBondContact O-N 3.24Å; A110-T113 PolarHBondContact O-N 2.98Å; A110-I114 WeakPolarHBondContact O-CB 3.44Å; A110-I114 WeakPolarHBondContact O-CD1 3.44Å; A110-I114 WeakPolarHBondContact O-CG1 3.29Å; A110-I114 PolarHBondContact O-N 3.47Å; A110-F126 HydrophobicContact CB-CE1 3.57Å; A110-F126 HydrophobicContact CB-CZ 3.84Å
111I97.9Very high97Very high43 Ų4349.9 Ų49.922%0.22124%0.244CC..Hα-helixtrans-55.8-49.3177.1-72.2174.2000110.6F107 L108 I114 T115 A123 F126 S127F107-I111 HydrophobicContact CD1-CD1 3.94Å; F107-I111 HydrophobicContact CD2-CD1 4.4Å; F107-I111 HydrophobicContact CE1-CD1 3.41Å; F107-I111 VanDerWaalsContact CE1-CD1 3.41Å; F107-I111 HydrophobicContact CE1-CG1 4.46Å; F107-I111 HydrophobicContact CE2-CD1 3.91Å; F107-I111 HydrophobicContact CE2-CG1 4.17Å; F107-I111 HydrophobicContact CG-CD1 4.43Å; F107-I111 HydrophobicContact CZ-CD1 3.42Å; F107-I111 VanDerWaalsContact CZ-CD1 3.42Å; F107-I111 HydrophobicContact CZ-CG1 4.18Å; F107-I111 PolarHBondContact O-N 2.96Å; L108-I111 PolarHBondContact O-N 3.06Å; I111-I114 PolarHBondContact O-N 2.9Å; I111-T115 VanDerWaalsContact O-CB 3.24Å; I111-T115 WeakPolarHBondContact O-CB 3.4Å; I111-T115 PolarHBondContact O-N 2.83Å; I111-T115 PolarHBondContact O-OG1 3.47Å; I111-A123 HydrophobicContact CG2-CB 4.29Å; I111-F126 HydrophobicContact CG1-CD1 4.43Å; I111-S127 VanDerWaalsContact CD1-OG 3.23Å; I111-S127 WeakPolarHBondContact CD1-OG 3.45Å; I111-S127 WeakPolarHBondContact CG1-OG 3.45Å
112M96.3Very high97Very high27 Ų2751.5 Ų51.513%0.13325%0.251CS..Hα-helixtrans-54.2-57.4176.8-83.7-177.2109.300111.2V55 I58 A59 L108 A110 I114 T115 W116V55-M112 HydrophobicContact CG1-CE 4.26Å; V55-M112 HydrophobicContact CG1-SD 3.89Å; V55-M112 VanDerWaalsContact O-CE 3.31Å; V55-M112 WeakPolarHBondContact O-CE 3.38Å; I58-M112 HydrophobicContact CB-CE 4Å; I58-M112 HydrophobicContact CG2-CB 4.4Å; I58-M112 HydrophobicContact CG2-CE 4.24Å; A59-M112 HydrophobicContact CB-CE 3.64Å; L108-M112 WeakPolarHBondContact O-CB 3.43Å; L108-M112 WeakPolarHBondContact O-CG 3.35Å; L108-M112 PolarHBondContact O-N 3.23Å; A110-M112 VanDerWaalsContact C-N 3.31Å; A110-M112 PolarHBondContact O-N 3.24Å; M112-I114 PolarHBondContact O-N 3.47Å; M112-T115 WeakPolarHBondContact O-CB 3.5Å; M112-T115 PolarHBondContact O-N 2.89Å; M112-W116 VanDerWaalsContact CA-CZ3 3.46Å; M112-W116 HydrophobicContact CB-CE3 3.86Å; M112-W116 HydrophobicContact CB-CH2 4.19Å; M112-W116 HydrophobicContact CB-CZ3 3.26Å; M112-W116 HydrophobicContact CE-CH2 3.5Å; M112-W116 VanDerWaalsContact CE-CH2 3.5Å; M112-W116 HydrophobicContact CE-CZ3 3.55Å; M112-W116 HydrophobicContact CG-CE3 4.4Å; M112-W116 HydrophobicContact CG-CH2 3.82Å; M112-W116 HydrophobicContact CG-CZ3 3.37Å; M112-W116 PolarHBondContact O-N 3.33Å; M112-W116 VanDerWaalsContact O-N 3.09Å; M112-W116 HydrophobicContact SD-CZ3 4.17Å
113T96.9Very high97.1Very high0 Ų050.6 Ų50.60%025%0.247CC..Hα-helixtrans-61.7-42.8-176.7-560000111.6A64 L67 I69 I72 L109 A110 T117A64-T113 HydrophobicContact CB-CG2 3.71Å; L67-T113 HydrophobicContact CB-CG2 4.24Å; I69-T113 HydrophobicContact CD1-CG2 3.93Å; I69-T113 HydrophobicContact CG1-CG2 3.32Å; I72-T113 HydrophobicContact CD1-CG2 4.34Å; L109-T113 WeakPolarHBondContact O-CB 3.26Å; L109-T113 PolarHBondContact O-N 3.01Å; L109-T113 PolarHBondContact O-OG1 3.45Å; A110-T113 PolarHBondContact O-N 2.98Å; T113-T117 WeakPolarHBondContact O-CB 3.29Å; T113-T117 PolarHBondContact O-N 2.69Å; T113-T117 PolarHBondContact O-OG1 3.29Å
114I97.7Very high97.1Very high13 Ų1354.5 Ų54.57%0.06727%0.27CS..Hα-helixtrans-66-40.2177.5-67.1166.7000111.3A110 I111 M112 W116 Y118 S119 K122 A123 F126A110-I114 WeakPolarHBondContact O-CB 3.44Å; A110-I114 WeakPolarHBondContact O-CD1 3.44Å; A110-I114 WeakPolarHBondContact O-CG1 3.29Å; A110-I114 PolarHBondContact O-N 3.47Å; I111-I114 PolarHBondContact O-N 2.9Å; M112-I114 PolarHBondContact O-N 3.47Å; I114-W116 PolarHBondContact O-N 3.5Å; I114-Y118 HydrophobicContact CG2-CD2 4.21Å; I114-Y118 WeakPolarHBondContact O-CA 3.47Å; I114-Y118 PolarHBondContact O-N 3.44Å; I114-S119 PolarHBondContact O-N 2.8Å; I114-K122 HydrophobicContact CG2-CB 3.93Å; I114-A123 HydrophobicContact CB-CB 4.2Å; I114-A123 HydrophobicContact CG2-CB 3.86Å; I114-F126 HydrophobicContact CD1-CB 3.97Å; I114-F126 HydrophobicContact CD1-CD1 3.76Å; I114-F126 HydrophobicContact CD1-CD2 4.06Å; I114-F126 HydrophobicContact CD1-CE1 4.29Å; I114-F126 HydrophobicContact CD1-CG 3.63Å
115T97Very high97.1Very high34 Ų3455.4 Ų55.421%0.20928%0.275CS..Hα-helixtrans-61-46.2179.2-64.40000111.4I111 M112 Q120 A123I111-T115 VanDerWaalsContact O-CB 3.24Å; I111-T115 WeakPolarHBondContact O-CB 3.4Å; I111-T115 PolarHBondContact O-N 2.83Å; I111-T115 PolarHBondContact O-OG1 3.47Å; M112-T115 WeakPolarHBondContact O-CB 3.5Å; M112-T115 PolarHBondContact O-N 2.89Å; T115-Q120 HydrophobicContact CG2-CG 3.65Å; T115-A123 WeakPolarHBondContact OG1-CB 3.49Å
116W95Very high97.1Very high93 Ų9357 Ų5735%0.35228%0.282SS..Hα-helixtrans-83.8-23.6-177.3-70.2-61.9000114.3I58 K62 A64 M112 I114I58-W116 HydrophobicContact CB-CZ3 4.23Å; I58-W116 HydrophobicContact CG2-CD2 4.36Å; I58-W116 HydrophobicContact CG2-CE3 3.28Å; I58-W116 HydrophobicContact CG2-CH2 4.18Å; I58-W116 HydrophobicContact CG2-CZ3 3.17Å; K62-W116 PolarHBondContact O-NE1 2.94Å; A64-W116 HydrophobicContact CB-CB 4.38Å; M112-W116 VanDerWaalsContact CA-CZ3 3.46Å; M112-W116 HydrophobicContact CB-CE3 3.86Å; M112-W116 HydrophobicContact CB-CH2 4.19Å; M112-W116 HydrophobicContact CB-CZ3 3.26Å; M112-W116 HydrophobicContact CE-CH2 3.5Å; M112-W116 VanDerWaalsContact CE-CH2 3.5Å; M112-W116 HydrophobicContact CE-CZ3 3.55Å; M112-W116 HydrophobicContact CG-CE3 4.4Å; M112-W116 HydrophobicContact CG-CH2 3.82Å; M112-W116 HydrophobicContact CG-CZ3 3.37Å; M112-W116 PolarHBondContact O-N 3.33Å; M112-W116 VanDerWaalsContact O-N 3.09Å; M112-W116 HydrophobicContact SD-CZ3 4.17Å; I114-W116 PolarHBondContact O-N 3.5Å
117T95.1Very high97.2Very high71 Ų7158 Ų5844%0.43629%0.29SS..Hα-helixtrans-89-36.4179-52.20000112.3I69 T113I69-T117 HydrophobicContact CD1-CG2 4.07Å; T113-T117 WeakPolarHBondContact O-CB 3.29Å; T113-T117 PolarHBondContact O-N 2.69Å; T113-T117 PolarHBondContact O-OG1 3.29Å
118Y95.1Very high97.2Very high140 Ų14060.3 Ų60.355%0.54931%0.309SS..THydrogen-bonded Turntrans-120.8-75.9-173.6-58.1-64000113I69 I114 K122I69-Y118 HydrophobicContact CD1-CD2 4.1Å; I69-Y118 HydrophobicContact CD1-CE2 3.34Å; I114-Y118 HydrophobicContact CG2-CD2 4.21Å; I114-Y118 WeakPolarHBondContact O-CA 3.47Å; I114-Y118 PolarHBondContact O-N 3.44Å; Y118-K122 HydrophobicContact CG-CD 4.27Å
119S95.7Very high97.2Very high40 Ų4060.9 Ų60.928%0.2832%0.315SS..  trans-172.3159.2178.468.30000111.3I114 I121 K122 A123I114-S119 PolarHBondContact O-N 2.8Å; S119-I121 VanDerWaalsContact C-N 3.31Å; S119-I121 PolarHBondContact O-N 3.44Å; S119-K122 PolarHBondContact O-N 2.75Å; S119-K122 PolarHBondContact OG-N 3.32Å; S119-A123 PolarHBondContact O-N 3.4Å
120Q96.5Very high97.2Very high147 Ų14762.1 Ų62.169%0.68732%0.32SS*.Hα-helixtrans-60.1-40173.1-72.8-178.3-24.700112.4T115 K122 A123 V124T115-Q120 HydrophobicContact CG2-CG 3.65Å; Q120-K122 VanDerWaalsContact C-N 3.34Å; Q120-K122 PolarHBondContact O-N 3.18Å; Q120-A123 WeakPolarHBondContact O-CB 3.47Å; Q120-A123 PolarHBondContact O-N 2.88Å; Q120-A123 VanDerWaalsContact O-N 3.13Å; Q120-V124 WeakPolarHBondContact O-CG2 3.32Å; Q120-V124 PolarHBondContact O-N 3.39Å
121I97.8Very high97.2Very high125 Ų12567 Ų6764%0.64134%0.344SS*.Hα-helixtrans-60.6-44.7-179.8-61.5172.9000110.6S119 A123 V124 L125S119-I121 VanDerWaalsContact C-N 3.31Å; S119-I121 PolarHBondContact O-N 3.44Å; I121-A123 VanDerWaalsContact C-N 3.3Å; I121-A123 PolarHBondContact O-N 2.68Å; I121-V124 PolarHBondContact O-N 3.24Å; I121-L125 HydrophobicContact CG2-CD1 4.18Å; I121-L125 HydrophobicContact CG2-CG 4.48Å; I121-L125 WeakPolarHBondContact O-CG 3.43Å; I121-L125 PolarHBondContact O-N 3.09Å
122K97.7Very high97.2Very high112 Ų11267.7 Ų67.749%0.48736%0.356SS..Hα-helixtrans-64.5-35.7177.2-74.7172.2173.4-1760112.1I114 Y118 S119 Q120 F126I114-K122 HydrophobicContact CG2-CB 3.93Å; Y118-K122 HydrophobicContact CG-CD 4.27Å; S119-K122 PolarHBondContact O-N 2.75Å; S119-K122 PolarHBondContact OG-N 3.32Å; Q120-K122 VanDerWaalsContact C-N 3.34Å; Q120-K122 PolarHBondContact O-N 3.18Å; K122-F126 WeakPolarHBondContact O-CB 3.46Å; K122-F126 PolarHBondContact O-N 2.85Å
123A97.9Very high97.2Very high3 Ų369.4 Ų69.43%0.02537%0.37CS..Hα-helixtrans-67.3-39.5175.400000112.2I111 I114 T115 S119 Q120 I121 S127I111-A123 HydrophobicContact CG2-CB 4.29Å; I114-A123 HydrophobicContact CB-CB 4.2Å; I114-A123 HydrophobicContact CG2-CB 3.86Å; T115-A123 WeakPolarHBondContact OG1-CB 3.49Å; S119-A123 PolarHBondContact O-N 3.4Å; Q120-A123 WeakPolarHBondContact O-CB 3.47Å; Q120-A123 PolarHBondContact O-N 2.88Å; Q120-A123 VanDerWaalsContact O-N 3.13Å; I121-A123 VanDerWaalsContact C-N 3.3Å; I121-A123 PolarHBondContact O-N 2.68Å; A123-S127 WeakPolarHBondContact O-CB 3.24Å; A123-S127 PolarHBondContact O-N 3.29Å; A123-S127 PolarHBondContact O-OG 3.03Å
124V98.3Very high97.2Very high88 Ų8871.4 Ų71.453%0.53338%0.38SS..Hα-helixtrans-64.4-47.8173.9172.80000110.8Q120 I121 F126 S127 C128Q120-V124 WeakPolarHBondContact O-CG2 3.32Å; Q120-V124 PolarHBondContact O-N 3.39Å; I121-V124 PolarHBondContact O-N 3.24Å; V124-F126 PolarHBondContact O-N 3.43Å; V124-S127 WeakPolarHBondContact O-CB 3.36Å; V124-S127 PolarHBondContact O-N 2.91Å; V124-S127 VanDerWaalsContact O-N 3.09Å; V124-C128 PolarHBondContact O-N 3.36Å; V124-C128 PolarHBondContact O-SG 3.05Å; V124-C128 VanDerWaalsContact O-SG 3.38Å
125L98.1Very high97.2Very high107 Ų10773.7 Ų73.756%0.5640%0.401SS*.Hα-helixtrans-57.8-47.7176.8-72173.2000111.6I121 S127 C128 T129I121-L125 HydrophobicContact CG2-CD1 4.18Å; I121-L125 HydrophobicContact CG2-CG 4.48Å; I121-L125 WeakPolarHBondContact O-CG 3.43Å; I121-L125 PolarHBondContact O-N 3.09Å; L125-S127 VanDerWaalsContact C-N 3.3Å; L125-S127 PolarHBondContact O-N 3.27Å; L125-C128 PolarHBondContact O-N 2.92Å; L125-T129 PolarHBondContact O-N 3.37Å; L125-T129 PolarHBondContact O-OG1 3.42Å; L125-T129 VanDerWaalsContact O-OG1 3.07Å
126F98.2Very high97.1Very high41 Ų4176 Ų7618%0.1842%0.415CS..Hα-helixtrans-56.4-44.5173.9169.4-99.9000112L73 L76 F107 A110 I111 I114 K122 V124 T129 Y130L73-F126 HydrophobicContact CD2-CD2 4.29Å; L73-F126 HydrophobicContact CD2-CE2 3.32Å; L73-F126 HydrophobicContact CD2-CZ 3.47Å; L73-F126 VanDerWaalsContact CD2-CZ 3.47Å; L76-F126 HydrophobicContact CD2-CE1 4.42Å; L76-F126 HydrophobicContact CD2-CZ 3.72Å; F107-F126 AromaticContact CD2-CE1 3.89Å; F107-F126 HydrophobicContact CD2-CE1 3.89Å; F107-F126 HydrophobicContact CE2-CD1 4.35Å; F107-F126 AromaticContact CE2-CE1 3.88Å; F107-F126 HydrophobicContact CE2-CE1 3.88Å; A110-F126 HydrophobicContact CB-CE1 3.57Å; A110-F126 HydrophobicContact CB-CZ 3.84Å; I111-F126 HydrophobicContact CG1-CD1 4.43Å; I114-F126 HydrophobicContact CD1-CB 3.97Å; I114-F126 HydrophobicContact CD1-CD1 3.76Å; I114-F126 HydrophobicContact CD1-CD2 4.06Å; I114-F126 HydrophobicContact CD1-CE1 4.29Å; I114-F126 HydrophobicContact CD1-CG 3.63Å; K122-F126 WeakPolarHBondContact O-CB 3.46Å; K122-F126 PolarHBondContact O-N 2.85Å; V124-F126 PolarHBondContact O-N 3.43Å; F126-T129 PolarHBondContact O-N 2.94Å; F126-Y130 VanDerWaalsContact O-CB 3.28Å; F126-Y130 WeakPolarHBondContact O-CB 3.27Å; F126-Y130 PolarHBondContact O-N 2.93Å
127S98.2Very high97.2Very high23 Ų2372.8 Ų72.816%0.16141%0.405CS..Hα-helixtrans-60.9-47.6178.6-56.80000111.5I111 A123 V124 L125 Y130 M131I111-S127 VanDerWaalsContact CD1-OG 3.23Å; I111-S127 WeakPolarHBondContact CD1-OG 3.45Å; I111-S127 WeakPolarHBondContact CG1-OG 3.45Å; A123-S127 WeakPolarHBondContact O-CB 3.24Å; A123-S127 PolarHBondContact O-N 3.29Å; A123-S127 PolarHBondContact O-OG 3.03Å; V124-S127 WeakPolarHBondContact O-CB 3.36Å; V124-S127 PolarHBondContact O-N 2.91Å; V124-S127 VanDerWaalsContact O-N 3.09Å; L125-S127 VanDerWaalsContact C-N 3.3Å; L125-S127 PolarHBondContact O-N 3.27Å; S127-Y130 PolarHBondContact O-N 2.94Å; S127-M131 WeakPolarHBondContact O-CB 3.29Å; S127-M131 VanDerWaalsContact O-CG 3.27Å; S127-M131 WeakPolarHBondContact O-CG 3.5Å; S127-M131 PolarHBondContact O-N 2.94Å
128C98.3Very high97.1Very high81 Ų8173.5 Ų73.555%0.54741%0.405SS..Hα-helixtrans-60.9-46.5177-67.30000111.8V124 L125 Y130 M131 A132V124-C128 PolarHBondContact O-N 3.36Å; V124-C128 PolarHBondContact O-SG 3.05Å; V124-C128 VanDerWaalsContact O-SG 3.38Å; L125-C128 PolarHBondContact O-N 2.92Å; C128-Y130 PolarHBondContact O-N 2.95Å; C128-M131 PolarHBondContact O-N 3.38Å; C128-A132 WeakPolarHBondContact O-CB 3.42Å; C128-A132 PolarHBondContact O-N 3.08Å
129T98Very high97.1Very high88 Ų8868.3 Ų68.354%0.5439%0.389SS..Hα-helixtrans-61.1-45.9177.3-58.30000111.3L125 F126 M131 A132 C133L125-T129 PolarHBondContact O-N 3.37Å; L125-T129 PolarHBondContact O-OG1 3.42Å; L125-T129 VanDerWaalsContact O-OG1 3.07Å; F126-T129 PolarHBondContact O-N 2.94Å; T129-M131 PolarHBondContact O-N 3.16Å; T129-A132 PolarHBondContact O-N 3.3Å; T129-C133 PolarHBondContact O-N 3.07Å; T129-C133 PolarHBondContact O-SG 3.48Å
130Y98.2Very high96.9Very high26 Ų2672.9 Ų72.910%0.10242%0.418CS..Hα-helixtrans-64.2-42.2-179.9-179.5-108.9000112.4L76 T80 F107 F126 S127 C128 A132 C133 I134L76-Y130 HydrophobicContact CD1-CE1 4.32Å; L76-Y130 HydrophobicContact CD1-CE2 4.09Å; L76-Y130 WeakPolarHBondContact CD1-OH 3.5Å; L76-Y130 HydrophobicContact CD2-CD2 3.86Å; L76-Y130 HydrophobicContact CD2-CE1 4.26Å; L76-Y130 HydrophobicContact CD2-CE2 3.55Å; L76-Y130 HydrophobicContact CD2-CG 4.34Å; L76-Y130 HydrophobicContact CG-CD2 4.35Å; L76-Y130 HydrophobicContact CG-CE2 3.56Å; T80-Y130 HydrophobicContact CG2-CE2 4.44Å; T80-Y130 PolarHBondContact OG1-OH 3.26Å; F107-Y130 HydrophobicContact CB-CE1 4.18Å; F107-Y130 AromaticContact CD2-CD1 3.24Å; F107-Y130 HydrophobicContact CD2-CD1 3.24Å; F107-Y130 AromaticContact CD2-CE1 3.51Å; F107-Y130 HydrophobicContact CD2-CE1 3.51Å; F107-Y130 HydrophobicContact CD2-CG 4Å; F107-Y130 AromaticContact CE2-CD1 3.25Å; F107-Y130 HydrophobicContact CE2-CD1 3.25Å; F107-Y130 AromaticContact CE2-CE1 3.97Å; F107-Y130 HydrophobicContact CE2-CE1 3.97Å; F107-Y130 AromaticContact CE2-CG 3.92Å; F107-Y130 HydrophobicContact CE2-CG 3.92Å; F107-Y130 HydrophobicContact CG-CD1 4.04Å; F107-Y130 AromaticContact CG-CE1 3.89Å; F107-Y130 HydrophobicContact CG-CE1 3.89Å; F107-Y130 HydrophobicContact CZ-CD1 4.02Å; F126-Y130 VanDerWaalsContact O-CB 3.28Å; F126-Y130 WeakPolarHBondContact O-CB 3.27Å; F126-Y130 PolarHBondContact O-N 2.93Å; S127-Y130 PolarHBondContact O-N 2.94Å; C128-Y130 PolarHBondContact O-N 2.95Å; Y130-A132 VanDerWaalsContact C-N 3.34Å; Y130-A132 PolarHBondContact O-N 2.7Å; Y130-C133 WeakPolarHBondContact O-CB 3.42Å; Y130-C133 PolarHBondContact O-N 3.39Å; Y130-I134 HydrophobicContact CD1-CD1 3.93Å; Y130-I134 HydrophobicContact CE1-CD1 3.32Å; Y130-I134 HydrophobicContact CE1-CG1 4.17Å; Y130-I134 HydrophobicContact CE2-CD1 4.32Å; Y130-I134 HydrophobicContact CE2-CG1 4.37Å; Y130-I134 PolarHBondContact O-N 2.92Å
131M97.7Very high96.6Very high106 Ų10671.5 Ų71.552%0.52242%0.42SS..Hα-helixtrans-63.7-38.8174.8-68.6-55-63.300112.1S127 C128 T129 I134 A135S127-M131 WeakPolarHBondContact O-CB 3.29Å; S127-M131 VanDerWaalsContact O-CG 3.27Å; S127-M131 WeakPolarHBondContact O-CG 3.5Å; S127-M131 PolarHBondContact O-N 2.94Å; C128-M131 PolarHBondContact O-N 3.38Å; T129-M131 PolarHBondContact O-N 3.16Å; M131-I134 PolarHBondContact O-N 3.26Å; M131-A135 WeakPolarHBondContact O-CB 3.45Å; M131-A135 PolarHBondContact O-N 3.5Å
132A97.3Very high96.3Very high57 Ų5767.2 Ų67.247%0.47140%0.398SS..Hα-helixtrans-63.7-41.317300000111.8C128 T129 Y130 A135 V136C128-A132 WeakPolarHBondContact O-CB 3.42Å; C128-A132 PolarHBondContact O-N 3.08Å; T129-A132 PolarHBondContact O-N 3.3Å; Y130-A132 VanDerWaalsContact C-N 3.34Å; Y130-A132 PolarHBondContact O-N 2.7Å; A132-A135 PolarHBondContact O-N 2.64Å; A132-V136 WeakPolarHBondContact O-CG2 3.47Å; A132-V136 PolarHBondContact O-N 2.96Å
133C96.5Very high96.2Very high63 Ų6365.3 Ų65.343%0.42640%0.397SS..Hα-helixtrans-61.8-44.8174.4-68.80000112.1T129 Y130 A135 V136 L137T129-C133 PolarHBondContact O-N 3.07Å; T129-C133 PolarHBondContact O-SG 3.48Å; Y130-C133 WeakPolarHBondContact O-CB 3.42Å; Y130-C133 PolarHBondContact O-N 3.39Å; C133-A135 VanDerWaalsContact C-N 3.32Å; C133-A135 PolarHBondContact O-N 3.25Å; C133-V136 PolarHBondContact O-N 3.5Å; C133-L137 WeakPolarHBondContact O-CB 3.36Å; C133-L137 VanDerWaalsContact O-CG 3.28Å; C133-L137 WeakPolarHBondContact O-CG 3.39Å; C133-L137 PolarHBondContact O-N 3.42Å
134I97.1Very high96Very high41 Ų4168.6 Ų68.621%0.2141%0.414CS..Hα-helixtrans-59.1-45.3174.3-72.3177.9000110.5T80 Y130 M131 V136 L137 L138T80-I134 HydrophobicContact CG2-CG1 3.93Å; Y130-I134 HydrophobicContact CD1-CD1 3.93Å; Y130-I134 HydrophobicContact CE1-CD1 3.32Å; Y130-I134 HydrophobicContact CE1-CG1 4.17Å; Y130-I134 HydrophobicContact CE2-CD1 4.32Å; Y130-I134 HydrophobicContact CE2-CG1 4.37Å; Y130-I134 PolarHBondContact O-N 2.92Å; M131-I134 PolarHBondContact O-N 3.26Å; I134-V136 VanDerWaalsContact C-N 3.27Å; I134-V136 PolarHBondContact O-N 3.3Å; I134-L137 PolarHBondContact O-N 2.89Å; I134-L137 VanDerWaalsContact O-N 3.13Å; I134-L138 HydrophobicContact CG2-CD1 3.59Å; I134-L138 HydrophobicContact CG2-CG 4.11Å; I134-L138 WeakPolarHBondContact O-CB 3.4Å; I134-L138 WeakPolarHBondContact O-CG 3.28Å; I134-L138 PolarHBondContact O-N 3.04Å
135A96.6Very high95.8Very high61 Ų6168.7 Ų68.750%0.50442%0.418SS..Hα-helixtrans-59.6-38.2179.700000112.3M131 A132 C133 S139M131-A135 WeakPolarHBondContact O-CB 3.45Å; M131-A135 PolarHBondContact O-N 3.5Å; A132-A135 PolarHBondContact O-N 2.64Å; C133-A135 VanDerWaalsContact C-N 3.32Å; C133-A135 PolarHBondContact O-N 3.25Å; A135-S139 WeakPolarHBondContact O-CB 3.44Å; A135-S139 PolarHBondContact O-N 3.28Å; A135-S139 VanDerWaalsContact O-N 3.11Å
136V96Very high95.7Very high82 Ų8266.6 Ų66.650%0.49741%0.407SS..Hα-helixtrans-71.8-39.7173.8174.20000112A132 C133 I134 L138 S139 L142A132-V136 WeakPolarHBondContact O-CG2 3.47Å; A132-V136 PolarHBondContact O-N 2.96Å; C133-V136 PolarHBondContact O-N 3.5Å; I134-V136 VanDerWaalsContact C-N 3.27Å; I134-V136 PolarHBondContact O-N 3.3Å; V136-L138 VanDerWaalsContact C-N 3.29Å; V136-L138 PolarHBondContact O-N 3.34Å; V136-S139 PolarHBondContact O-N 2.83Å; V136-S139 PolarHBondContact O-OG 2.8Å; V136-L142 HydrophobicContact CG1-CD1 4.35Å
137L95.9Very high95.5Very high27 Ų2764.8 Ų64.814%0.14140%0.399CS..Hα-helixtrans-67.1-31.3179.1-74.3172.2000112.9T80 A84 C133 I134 L142 L147 F150T80-L137 HydrophobicContact CG2-CD1 3.78Å; A84-L137 HydrophobicContact CB-CB 3.94Å; C133-L137 WeakPolarHBondContact O-CB 3.36Å; C133-L137 VanDerWaalsContact O-CG 3.28Å; C133-L137 WeakPolarHBondContact O-CG 3.39Å; C133-L137 PolarHBondContact O-N 3.42Å; I134-L137 PolarHBondContact O-N 2.89Å; I134-L137 VanDerWaalsContact O-N 3.13Å; L137-L142 HydrophobicContact CD2-CD2 3.83Å; L137-L147 HydrophobicContact CD2-CD2 3.79Å; L137-F150 HydrophobicContact CD2-CD2 3.99Å; L137-F150 HydrophobicContact CD2-CE2 3.75Å
138L94.8Very high95.4Very high86 Ų8666.8 Ų66.845%0.4541%0.408SS..THydrogen-bonded Turntrans-93.4-4.1177.8-60.9-179.9000112.8A84 H87 I134 V136A84-L138 HydrophobicContact CB-CD2 4.41Å; H87-L138 HydrophobicContact CB-CD2 4.43Å; I134-L138 HydrophobicContact CG2-CD1 3.59Å; I134-L138 HydrophobicContact CG2-CG 4.11Å; I134-L138 WeakPolarHBondContact O-CB 3.4Å; I134-L138 WeakPolarHBondContact O-CG 3.28Å; I134-L138 PolarHBondContact O-N 3.04Å; V136-L138 VanDerWaalsContact C-N 3.29Å; V136-L138 PolarHBondContact O-N 3.34Å
139S94.3Very high95.3Very high30 Ų3067.8 Ų67.821%0.2141%0.407CS..SBendtrans-74.8141.7178.668.80000110.4A135 V136 T141 L142A135-S139 WeakPolarHBondContact O-CB 3.44Å; A135-S139 PolarHBondContact O-N 3.28Å; A135-S139 VanDerWaalsContact O-N 3.11Å; V136-S139 PolarHBondContact O-N 2.83Å; V136-S139 PolarHBondContact O-OG 2.8Å; S139-T141 WeakPolarHBondContact CB-OG1 3.38Å; S139-T141 PolarHBondContact O-N 3.47Å; S139-T141 PolarHBondContact OG-OG1 3.34Å; S139-L142 PolarHBondContact O-N 3.48Å
140P90.6Very high95.1Very high137 Ų13767.2 Ų67.289%0.8940%0.397SS*.THydrogen-bonded Turntrans-67.1-8.6175.328.9-35.9000112.8L142P140-L142 VanDerWaalsContact C-N 3.34Å
141T90.4Very high94.8Very high117 Ų11766.5 Ų66.572%0.71839%0.394SS*.THydrogen-bonded Turntrans-77.3-19.5177.855.40000113.1S139 P143S139-T141 WeakPolarHBondContact CB-OG1 3.38Å; S139-T141 PolarHBondContact O-N 3.47Å; S139-T141 PolarHBondContact OG-OG1 3.34Å; T141-P143 WeakPolarHBondContact O-CD 3.27Å
142L92.5Very high94.7Very high36 Ų3664.2 Ų64.219%0.18839%0.387CS..SBendtrans-81.3122.6179.8-166.371.9000109.9V136 L137 S139 P140 L144 I146 L147V136-L142 HydrophobicContact CG1-CD1 4.35Å; L137-L142 HydrophobicContact CD2-CD2 3.83Å; S139-L142 PolarHBondContact O-N 3.48Å; P140-L142 VanDerWaalsContact C-N 3.34Å; L142-L144 PolarHBondContact O-N 3.2Å; L142-I146 HydrophobicContact CD1-CD1 3.89Å; L142-I146 HydrophobicContact CD1-CG2 4.46Å; L142-I146 HydrophobicContact CG-CB 4.46Å; L142-L147 HydrophobicContact CD2-CD2 3.81Å; L142-L147 HydrophobicContact CD2-CG 4.1Å
143P94.4Very high94.5Very high71 Ų7165 Ų6546%0.46139%0.386SS..  trans-62.1136.6178.8-22.532.6000111.9T141 S145 I146T141-P143 WeakPolarHBondContact O-CD 3.27Å; P143-S145 PolarHBondContact O-N 3.41Å; P143-S145 VanDerWaalsContact O-N 3.09Å; P143-I146 HydrophobicContact CB-CG1 4.47Å; P143-I146 HydrophobicContact CG-CD1 4.36Å; P143-I146 WeakPolarHBondContact O-CB 3.27Å; P143-I146 PolarHBondContact O-N 2.99Å
144L93.5Very high94.3Very high73 Ų7362.9 Ų62.938%0.38237%0.37SS..Hα-helixtrans-54.4-32.4177.6-17763.2000112.5A88 L142 I146 L147 I148A88-L144 HydrophobicContact CB-CD1 4.04Å; L142-L144 PolarHBondContact O-N 3.2Å; L144-I146 PolarHBondContact O-N 3.26Å; L144-L147 HydrophobicContact CD1-CB 4.45Å; L144-L147 HydrophobicContact CD1-CD1 4.46Å; L144-L147 WeakPolarHBondContact O-CB 3.32Å; L144-L147 PolarHBondContact O-N 3.13Å; L144-I148 HydrophobicContact CD2-CD1 4.34Å; L144-I148 HydrophobicContact CG-CD1 3.94Å; L144-I148 HydrophobicContact CG-CG1 4.25Å; L144-I148 WeakPolarHBondContact O-CG1 3.15Å; L144-I148 PolarHBondContact O-N 3.3Å
145S94.9Very high94Very high89 Ų8962.6 Ų62.662%0.62237%0.369SS*.Hα-helixtrans-57.1-33.4176.7-49.30000113.5P143 L149P143-S145 PolarHBondContact O-N 3.41Å; P143-S145 VanDerWaalsContact O-N 3.09Å; S145-L149 WeakPolarHBondContact O-CB 3.38Å; S145-L149 PolarHBondContact O-N 2.89Å
146I95.4Very high93.8Very high63 Ų6362.8 Ų62.832%0.32337%0.365SS..Hα-helixtrans-71.1-40.9176.5-58.5-175000110.1L142 P143 L144 L149 F150L142-I146 HydrophobicContact CD1-CD1 3.89Å; L142-I146 HydrophobicContact CD1-CG2 4.46Å; L142-I146 HydrophobicContact CG-CB 4.46Å; P143-I146 HydrophobicContact CB-CG1 4.47Å; P143-I146 HydrophobicContact CG-CD1 4.36Å; P143-I146 WeakPolarHBondContact O-CB 3.27Å; P143-I146 PolarHBondContact O-N 2.99Å; L144-I146 PolarHBondContact O-N 3.26Å; I146-L149 WeakPolarHBondContact O-CB 3.16Å; I146-L149 PolarHBondContact O-N 2.98Å; I146-F150 HydrophobicContact CG2-CD2 4.33Å; I146-F150 HydrophobicContact CG2-CE1 4.17Å; I146-F150 HydrophobicContact CG2-CE2 3.76Å; I146-F150 HydrophobicContact CG2-CZ 3.68Å; I146-F150 WeakPolarHBondContact O-CG 3.49Å; I146-F150 PolarHBondContact O-N 2.94Å
147L95.3Very high93.5Very high4 Ų463.8 Ų63.82%0.02137%0.366CS..Hα-helixtrans-66.9-39.4176.1-64.3176.2000111.8A84 Y85 A88 L137 L142 L144 L149 F150 Q151A84-L147 HydrophobicContact CB-CD2 3.92Å; Y85-L147 HydrophobicContact CD2-CB 4.33Å; A88-L147 HydrophobicContact CB-CD1 3.45Å; A88-L147 VanDerWaalsContact CB-CD1 3.45Å; L137-L147 HydrophobicContact CD2-CD2 3.79Å; L142-L147 HydrophobicContact CD2-CD2 3.81Å; L142-L147 HydrophobicContact CD2-CG 4.1Å; L144-L147 HydrophobicContact CD1-CB 4.45Å; L144-L147 HydrophobicContact CD1-CD1 4.46Å; L144-L147 WeakPolarHBondContact O-CB 3.32Å; L144-L147 PolarHBondContact O-N 3.13Å; L147-L149 VanDerWaalsContact C-N 3.31Å; L147-L149 PolarHBondContact O-N 3.43Å; L147-F150 HydrophobicContact CD2-CD2 4.49Å; L147-F150 PolarHBondContact O-N 2.94Å; L147-Q151 WeakPolarHBondContact O-CB 3.43Å; L147-Q151 PolarHBondContact O-N 3.49Å
148I95.7Very high93.2Very high65 Ų6566.9 Ų66.933%0.33338%0.381SS..Hα-helixtrans-59.4-43.7171.9-70.2164.1000110.2Y85 L144 Q151 T152 L205Y85-I148 HydrophobicContact CD2-CG1 4.21Å; Y85-I148 HydrophobicContact CE2-CG1 3.7Å; L144-I148 HydrophobicContact CD2-CD1 4.34Å; L144-I148 HydrophobicContact CG-CD1 3.94Å; L144-I148 HydrophobicContact CG-CG1 4.25Å; L144-I148 WeakPolarHBondContact O-CG1 3.15Å; L144-I148 PolarHBondContact O-N 3.3Å; I148-Q151 PolarHBondContact O-N 3.35Å; I148-T152 VanDerWaalsContact O-CB 3.23Å; I148-T152 WeakPolarHBondContact O-CB 3.29Å; I148-T152 PolarHBondContact O-N 3.08Å; I148-T152 PolarHBondContact O-OG1 2.85Å; I148-L205 HydrophobicContact CG2-CD2 4.32Å
149L95.4Very high93.1Very high101 Ų10163.8 Ų63.853%0.52937%0.365SS..Hα-helixtrans-60.7-47.4176.4177.864.8000111S145 I146 L147 T152 V153S145-L149 WeakPolarHBondContact O-CB 3.38Å; S145-L149 PolarHBondContact O-N 2.89Å; I146-L149 WeakPolarHBondContact O-CB 3.16Å; I146-L149 PolarHBondContact O-N 2.98Å; L147-L149 VanDerWaalsContact C-N 3.31Å; L147-L149 PolarHBondContact O-N 3.43Å; L149-T152 PolarHBondContact O-N 3.2Å; L149-V153 HydrophobicContact CD1-CG2 4.12Å; L149-V153 HydrophobicContact CG-CG2 4.49Å; L149-V153 VanDerWaalsContact O-CG2 3.32Å; L149-V153 WeakPolarHBondContact O-CG2 3.17Å; L149-V153 PolarHBondContact O-N 3.17Å
150F94Very high93.1Very high77 Ų7765.8 Ų65.834%0.33838%0.379SS..Hα-helixtrans-61.8-45.2177.5-64.8-19.7000112L137 I146 L147 T152 V153 N154L137-F150 HydrophobicContact CD2-CD2 3.99Å; L137-F150 HydrophobicContact CD2-CE2 3.75Å; I146-F150 HydrophobicContact CG2-CD2 4.33Å; I146-F150 HydrophobicContact CG2-CE1 4.17Å; I146-F150 HydrophobicContact CG2-CE2 3.76Å; I146-F150 HydrophobicContact CG2-CZ 3.68Å; I146-F150 WeakPolarHBondContact O-CG 3.49Å; I146-F150 PolarHBondContact O-N 2.94Å; L147-F150 HydrophobicContact CD2-CD2 4.49Å; L147-F150 PolarHBondContact O-N 2.94Å; F150-T152 VanDerWaalsContact C-N 3.32Å; F150-T152 PolarHBondContact O-N 3.39Å; F150-V153 PolarHBondContact O-N 3.46Å; F150-N154 PolarHBondContact O-N 2.83Å; F150-N154 PolarHBondContact O-ND2 3.4Å
151Q93.6Very high93.2Very high10 Ų1063.1 Ų63.15%0.04736%0.363CS..Hα-helixtrans-58.4-44.7174.1178.561.325.200111.5Y85 L147 I148 N154 L205Y85-Q151 HydrophobicContact CD1-CB 4.13Å; Y85-Q151 HydrophobicContact CD1-CG 3.77Å; Y85-Q151 HydrophobicContact CD2-CB 4.1Å; Y85-Q151 HydrophobicContact CD2-CG 4.48Å; Y85-Q151 HydrophobicContact CE1-CG 3.96Å; Y85-Q151 HydrophobicContact CG-CB 3.86Å; Y85-Q151 HydrophobicContact CG-CG 4.05Å; L147-Q151 WeakPolarHBondContact O-CB 3.43Å; L147-Q151 PolarHBondContact O-N 3.49Å; I148-Q151 PolarHBondContact O-N 3.35Å; Q151-N154 WeakPolarHBondContact O-CB 3.24Å; Q151-N154 PolarHBondContact O-N 3.36Å; Q151-L205 HydrophobicContact CB-CD2 4.18Å; Q151-L205 HydrophobicContact CG-CD2 3.62Å; Q151-L205 HydrophobicContact CG-CG 4.08Å
152T94.1Very high93.4Very high59 Ų5959.4 Ų59.436%0.36234%0.337SS..Hα-helixtrans-66.8-39.8-178.1-57.80000111.3I148 L149 F150 N154 L155 P156I148-T152 VanDerWaalsContact O-CB 3.23Å; I148-T152 WeakPolarHBondContact O-CB 3.29Å; I148-T152 PolarHBondContact O-N 3.08Å; I148-T152 PolarHBondContact O-OG1 2.85Å; L149-T152 PolarHBondContact O-N 3.2Å; F150-T152 VanDerWaalsContact C-N 3.32Å; F150-T152 PolarHBondContact O-N 3.39Å; T152-N154 VanDerWaalsContact C-N 3.31Å; T152-N154 PolarHBondContact O-N 2.96Å; T152-L155 PolarHBondContact O-N 3.29Å; T152-P156 WeakPolarHBondContact O-CD 3.41Å
153V93.5Very high93.6Very high74 Ų7463 Ų6345%0.44835%0.352SS..Hα-helixtrans-68.4-29.3178.1169.20000112.4L149 F150 L155 P156 I157L149-V153 HydrophobicContact CD1-CG2 4.12Å; L149-V153 HydrophobicContact CG-CG2 4.49Å; L149-V153 VanDerWaalsContact O-CG2 3.32Å; L149-V153 WeakPolarHBondContact O-CG2 3.17Å; L149-V153 PolarHBondContact O-N 3.17Å; F150-V153 PolarHBondContact O-N 3.46Å; V153-L155 VanDerWaalsContact C-N 3.25Å; V153-L155 PolarHBondContact O-N 2.75Å; V153-P156 WeakPolarHBondContact O-CD 3.27Å; V153-I157 HydrophobicContact CG1-CD1 3.94Å; V153-I157 WeakPolarHBondContact O-CD1 3.49Å; V153-I157 WeakPolarHBondContact O-CG1 3.19Å
154N91.8Very high93.7Very high18 Ų1862.2 Ų62.210%0.09635%0.351CS..Hα-helixtrans-63.3-32.5175.1-85-69.3000113S78 V82 F150 Q151 T152 I157 M158S78-N154 WeakPolarHBondContact CA-OD1 3.33Å; S78-N154 WeakPolarHBondContact CB-OD1 3.39Å; S78-N154 PolarHBondContact OG-OD1 3.38Å; V82-N154 HydrophobicContact CG2-CB 4.42Å; F150-N154 PolarHBondContact O-N 2.83Å; F150-N154 PolarHBondContact O-ND2 3.4Å; Q151-N154 WeakPolarHBondContact O-CB 3.24Å; Q151-N154 PolarHBondContact O-N 3.36Å; T152-N154 VanDerWaalsContact C-N 3.31Å; T152-N154 PolarHBondContact O-N 2.96Å; N154-I157 PolarHBondContact O-N 3.33Å; N154-M158 WeakPolarHBondContact O-CB 3.35Å; N154-M158 PolarHBondContact O-N 3.19Å
155L91.6Very high93.9Very high35 Ų3562.1 Ų62.118%0.18335%0.349CS..Hα-helixtrans-65.2-53.1-177177143000112.7T152 V153 I157 M158 L159 L212T152-L155 PolarHBondContact O-N 3.29Å; V153-L155 VanDerWaalsContact C-N 3.25Å; V153-L155 PolarHBondContact O-N 2.75Å; L155-I157 VanDerWaalsContact C-N 3.29Å; L155-I157 PolarHBondContact O-N 3.21Å; L155-M158 PolarHBondContact O-N 3.25Å; L155-L159 HydrophobicContact CD2-CD1 3.61Å; L155-L159 HydrophobicContact CG-CD1 3.97Å; L155-L159 WeakPolarHBondContact O-CB 3.33Å; L155-L159 VanDerWaalsContact O-CG 3.29Å; L155-L159 WeakPolarHBondContact O-CG 3.39Å; L155-L159 PolarHBondContact O-N 3Å; L155-L212 HydrophobicContact CD1-CD1 4.27Å; L155-L212 HydrophobicContact CD2-CD1 4.29Å
156P91.8Very high94Very high65 Ų6559 Ų5942%0.42233%0.325SS..Hα-helixtrans-57.7-37.9173.7-27.734.6000113.6T152 V153 L159 S160T152-P156 WeakPolarHBondContact O-CD 3.41Å; V153-P156 WeakPolarHBondContact O-CD 3.27Å; P156-L159 PolarHBondContact O-N 3.41Å; P156-S160 WeakPolarHBondContact O-CB 3.38Å; P156-S160 PolarHBondContact O-N 3.49Å; P156-S160 PolarHBondContact O-OG 2.97Å
157I90.1Very high94.1Very high103 Ų10363.7 Ų63.753%0.52834%0.339SS..Hα-helixtrans-63.7-49178.7-64.4169.7000110.1V153 N154 L155 L159 S160 S161V153-I157 HydrophobicContact CG1-CD1 3.94Å; V153-I157 WeakPolarHBondContact O-CD1 3.49Å; V153-I157 WeakPolarHBondContact O-CG1 3.19Å; N154-I157 PolarHBondContact O-N 3.33Å; L155-I157 VanDerWaalsContact C-N 3.29Å; L155-I157 PolarHBondContact O-N 3.21Å; I157-L159 PolarHBondContact O-N 2.96Å; I157-S160 PolarHBondContact O-N 3.47Å; I157-S161 PolarHBondContact O-N 3.07Å
158M88.8Confident94.1Very high91 Ų9166.5 Ų66.545%0.44836%0.356SS..Hα-helixtrans-59.2-48177.1-177.967.769.500111.4N154 L155 S161 K162N154-M158 WeakPolarHBondContact O-CB 3.35Å; N154-M158 PolarHBondContact O-N 3.19Å; L155-M158 PolarHBondContact O-N 3.25Å; M158-S161 PolarHBondContact O-N 3.4Å; M158-K162 PolarHBondContact O-N 3.29Å
159L93.7Very high94.1Very high21 Ų2163.6 Ų63.611%0.1134%0.341CS..Hα-helixtrans-66.2-41.5-179-67.7176.5000112L155 P156 I157 S161 K162 F163 L212L155-L159 HydrophobicContact CD2-CD1 3.61Å; L155-L159 HydrophobicContact CG-CD1 3.97Å; L155-L159 WeakPolarHBondContact O-CB 3.33Å; L155-L159 VanDerWaalsContact O-CG 3.29Å; L155-L159 WeakPolarHBondContact O-CG 3.39Å; L155-L159 PolarHBondContact O-N 3Å; P156-L159 PolarHBondContact O-N 3.41Å; I157-L159 PolarHBondContact O-N 2.96Å; L159-S161 VanDerWaalsContact C-N 3.27Å; L159-S161 PolarHBondContact O-N 3.25Å; L159-K162 PolarHBondContact O-N 3.01Å; L159-K162 VanDerWaalsContact O-N 3.1Å; L159-F163 HydrophobicContact CB-CD2 4.08Å; L159-F163 HydrophobicContact CB-CE2 3.87Å; L159-F163 WeakPolarHBondContact O-CB 3.47Å; L159-F163 WeakPolarHBondContact O-CD2 3.26Å; L159-F163 WeakPolarHBondContact O-CG 3.36Å; L159-F163 PolarHBondContact O-N 2.85Å; L159-L212 HydrophobicContact CD1-CB 4.17Å; L159-L212 HydrophobicContact CD1-CD1 3.94Å; L159-L212 HydrophobicContact CD2-CB 3.81Å
160S94.5Very high94.2Very high73 Ų7365.7 Ų65.751%0.5134%0.343SS..Hα-helixtrans-59.3-40178.3-60.80000111.7P156 I157 F163 A164P156-S160 WeakPolarHBondContact O-CB 3.38Å; P156-S160 PolarHBondContact O-N 3.49Å; P156-S160 PolarHBondContact O-OG 2.97Å; I157-S160 PolarHBondContact O-N 3.47Å; S160-F163 PolarHBondContact O-N 3.27Å; S160-A164 VanDerWaalsContact O-CB 3.3Å; S160-A164 WeakPolarHBondContact O-CB 3.46Å; S160-A164 PolarHBondContact O-N 2.89Å
161S92.4Very high94.3Very high80 Ų8066.4 Ų66.456%0.55935%0.35SS*.Hα-helixtrans-61.8-43.8174.9179.50000112.1I157 M158 L159 Q165I157-S161 PolarHBondContact O-N 3.07Å; M158-S161 PolarHBondContact O-N 3.4Å; L159-S161 VanDerWaalsContact C-N 3.27Å; L159-S161 PolarHBondContact O-N 3.25Å; S161-Q165 PolarHBondContact O-N 2.9Å; S161-Q165 VanDerWaalsContact O-N 3.16Å
162K95.1Very high94.3Very high39 Ų3971.3 Ų71.317%0.1738%0.377CS..Hα-helixtrans-68.6-43176.5-61.5-56.7-173.7-1690112.3M158 L159 A164 Q165 I166 C216 L220M158-K162 PolarHBondContact O-N 3.29Å; L159-K162 PolarHBondContact O-N 3.01Å; L159-K162 VanDerWaalsContact O-N 3.1Å; K162-A164 PolarHBondContact O-N 3.5Å; K162-Q165 WeakPolarHBondContact O-CB 3.34Å; K162-Q165 PolarHBondContact O-N 3.48Å; K162-I166 VanDerWaalsContact O-CG1 3.25Å; K162-I166 WeakPolarHBondContact O-CG1 3.33Å; K162-I166 PolarHBondContact O-N 3.26Å; K162-C216 HydrophobicContact CB-CB 3.75Å; K162-C216 HydrophobicContact CG-CB 4.09Å; K162-L220 HydrophobicContact CD-CD1 4.1Å
163F95.9Very high94.2Very high112 Ų11269.7 Ų69.749%0.49137%0.372SS..Hα-helixtrans-61.4-43176.5-74.9-53000111.9L159 S160 Q165 I166 W167L159-F163 HydrophobicContact CB-CD2 4.08Å; L159-F163 HydrophobicContact CB-CE2 3.87Å; L159-F163 WeakPolarHBondContact O-CB 3.47Å; L159-F163 WeakPolarHBondContact O-CD2 3.26Å; L159-F163 WeakPolarHBondContact O-CG 3.36Å; L159-F163 PolarHBondContact O-N 2.85Å; S160-F163 PolarHBondContact O-N 3.27Å; F163-Q165 VanDerWaalsContact C-N 3.31Å; F163-Q165 PolarHBondContact O-N 2.85Å; F163-I166 HydrophobicContact CD1-CD1 4.47Å; F163-I166 PolarHBondContact O-N 3.27Å; F163-W167 VanDerWaalsContact O-CB 3.28Å; F163-W167 WeakPolarHBondContact O-CB 3.5Å; F163-W167 PolarHBondContact O-N 3.21Å
164A96.9Very high94.2Very high54 Ų5467 Ų6745%0.44636%0.356SS..Hα-helixtrans-59.5-42.117500000111.7S160 K162 T168S160-A164 VanDerWaalsContact O-CB 3.3Å; S160-A164 WeakPolarHBondContact O-CB 3.46Å; S160-A164 PolarHBondContact O-N 2.89Å; K162-A164 PolarHBondContact O-N 3.5Å; A164-T168 WeakPolarHBondContact O-CB 3.35Å; A164-T168 PolarHBondContact O-N 2.94Å; A164-T168 PolarHBondContact O-OG1 3.43Å
165Q96.6Very high94.1Very high71 Ų7167 Ų6733%0.33236%0.357SS..Hα-helixtrans-64.6-46.3174.8-17567.554.200112S161 K162 F163 W167 T168 N169 L178 L220S161-Q165 PolarHBondContact O-N 2.9Å; S161-Q165 VanDerWaalsContact O-N 3.16Å; K162-Q165 WeakPolarHBondContact O-CB 3.34Å; K162-Q165 PolarHBondContact O-N 3.48Å; F163-Q165 VanDerWaalsContact C-N 3.31Å; F163-Q165 PolarHBondContact O-N 2.85Å; Q165-W167 VanDerWaalsContact C-N 3.31Å; Q165-W167 PolarHBondContact O-N 2.98Å; Q165-T168 PolarHBondContact O-N 2.9Å; Q165-N169 PolarHBondContact NE2-OD1 3.5Å; Q165-N169 PolarHBondContact O-N 3.32Å; Q165-N169 PolarHBondContact O-OD1 3.37Å; Q165-L178 HydrophobicContact CG-CD2 4.36Å; Q165-L220 HydrophobicContact CB-CD2 4.25Å; Q165-L220 HydrophobicContact CG-CD2 3.72Å
166I97.9Very high94Very high23 Ų2367.3 Ų67.312%0.11837%0.369CS..Hα-helixtrans-58.6-45.8178.1-70.1165.2000110.3K162 F163 N169 Y170 C216 I219 L220 Q223K162-I166 VanDerWaalsContact O-CG1 3.25Å; K162-I166 WeakPolarHBondContact O-CG1 3.33Å; K162-I166 PolarHBondContact O-N 3.26Å; F163-I166 HydrophobicContact CD1-CD1 4.47Å; F163-I166 PolarHBondContact O-N 3.27Å; I166-N169 PolarHBondContact O-N 2.87Å; I166-Y170 PolarHBondContact O-N 2.77Å; I166-C216 HydrophobicContact CD1-CB 4.27Å; I166-I219 HydrophobicContact CD1-CB 4.08Å; I166-I219 HydrophobicContact CD1-CG2 3.84Å; I166-I219 HydrophobicContact CG1-CG2 4.02Å; I166-I219 HydrophobicContact CG2-CG2 3.83Å; I166-L220 HydrophobicContact CB-CD2 4.4Å; I166-L220 HydrophobicContact CD1-CG 4.34Å; I166-L220 HydrophobicContact CG1-CD2 3.48Å; I166-L220 VanDerWaalsContact CG1-CD2 3.48Å; I166-L220 HydrophobicContact CG1-CG 3.7Å; I166-Q223 PolarHBondContact O-NE2 3.22Å
167W97.1Very high94Very high163 Ų16372.9 Ų72.962%0.61739%0.389SS*.Hα-helixtrans-64.3-43178.4-172.8-106.9000112F163 Q165 N169 Y170 N171F163-W167 VanDerWaalsContact O-CB 3.28Å; F163-W167 WeakPolarHBondContact O-CB 3.5Å; F163-W167 PolarHBondContact O-N 3.21Å; Q165-W167 VanDerWaalsContact C-N 3.31Å; Q165-W167 PolarHBondContact O-N 2.98Å; W167-N169 PolarHBondContact O-N 2.93Å; W167-Y170 PolarHBondContact O-N 2.96Å; W167-N171 PolarHBondContact NE1-ND2 2.95Å; W167-N171 PolarHBondContact O-N 2.86Å; W167-N171 PolarHBondContact O-ND2 3.4Å
168T96.6Very high93.9Very high63 Ų6370.3 Ų70.339%0.38738%0.376SS..Hα-helixtrans-61.8-45176.9-59.40000111.3A164 Q165 Y170 N171 N172A164-T168 WeakPolarHBondContact O-CB 3.35Å; A164-T168 PolarHBondContact O-N 2.94Å; A164-T168 PolarHBondContact O-OG1 3.43Å; Q165-T168 PolarHBondContact O-N 2.9Å; T168-Y170 VanDerWaalsContact C-N 3.3Å; T168-Y170 PolarHBondContact O-N 2.76Å; T168-N171 PolarHBondContact O-N 3.48Å; T168-N172 WeakPolarHBondContact CG2-ND2 3.48Å; T168-N172 VanDerWaalsContact O-CB 3.3Å; T168-N172 WeakPolarHBondContact O-CB 3.44Å; T168-N172 PolarHBondContact O-N 2.98Å; T168-N172 PolarHBondContact O-ND2 3.38Å
169N95.7Very high94.2Very high3 Ų368.4 Ų68.42%0.01637%0.372CS..Hα-helixtrans-61.2-39.8176.1-67.4-9.6000112Q165 I166 W167 G173 S174 L220 Q223Q165-N169 PolarHBondContact NE2-OD1 3.5Å; Q165-N169 PolarHBondContact O-N 3.32Å; Q165-N169 PolarHBondContact O-OD1 3.37Å; I166-N169 PolarHBondContact O-N 2.87Å; W167-N169 PolarHBondContact O-N 2.93Å; N169-G173 PolarHBondContact O-N 2.92Å; N169-G173 VanDerWaalsContact O-N 3.12Å; N169-S174 PolarHBondContact O-N 3.36Å; N169-L220 WeakPolarHBondContact ND2-CD2 3.42Å; N169-Q223 VanDerWaalsContact CB-OE1 3.22Å; N169-Q223 PolarHBondContact ND2-OE1 3.12Å
170Y95.8Very high94.2Very high145 Ų14568.7 Ų68.757%0.56938%0.377SS*.Hα-helixtrans-64.9-50.6177.8178.9-99.2000111.7I166 W167 T168 N172 G173I166-Y170 PolarHBondContact O-N 2.77Å; W167-Y170 PolarHBondContact O-N 2.96Å; T168-Y170 VanDerWaalsContact C-N 3.3Å; T168-Y170 PolarHBondContact O-N 2.76Å; Y170-N172 VanDerWaalsContact C-N 3.29Å; Y170-N172 PolarHBondContact O-N 3.41Å; Y170-G173 PolarHBondContact O-N 3.38Å; Y170-G173 VanDerWaalsContact O-N 3.09Å
171N96.2Very high94.2Very high93 Ų9371.2 Ų71.250%0.49738%0.384SS..Hα-helixtrans-64.5-34.3-179.8-67.5-24000112.8W167 T168 G173W167-N171 PolarHBondContact NE1-ND2 2.95Å; W167-N171 PolarHBondContact O-N 2.86Å; W167-N171 PolarHBondContact O-ND2 3.4Å; T168-N171 PolarHBondContact O-N 3.48Å; N171-G173 VanDerWaalsContact C-N 3.28Å
172N93.4Very high94.2Very high113 Ų11370.3 Ų70.360%0.60438%0.375SS*.Hα-helixtrans-78.1-14.4177.7-68.2-14.9000112.8T168 Y170 S174T168-N172 WeakPolarHBondContact CG2-ND2 3.48Å; T168-N172 VanDerWaalsContact O-CB 3.3Å; T168-N172 WeakPolarHBondContact O-CB 3.44Å; T168-N172 PolarHBondContact O-N 2.98Å; T168-N172 PolarHBondContact O-ND2 3.38Å; Y170-N172 VanDerWaalsContact C-N 3.29Å; Y170-N172 PolarHBondContact O-N 3.41Å; N172-S174 PolarHBondContact O-N 2.65Å; N172-S174 VanDerWaalsContact O-N 3.12Å
173G93.3Very high94.2Very high25 Ų2568.7 Ų68.726%0.25837%0.368SS..THydrogen-bonded Turntrans58.520.4-171.700000113.6N169 Y170 N171 Y227 V230N169-G173 PolarHBondContact O-N 2.92Å; N169-G173 VanDerWaalsContact O-N 3.12Å; Y170-G173 PolarHBondContact O-N 3.38Å; Y170-G173 VanDerWaalsContact O-N 3.09Å; N171-G173 VanDerWaalsContact C-N 3.28Å; G173-Y227 VanDerWaalsContact C-CD1 3.45Å; G173-Y227 WeakPolarHBondContact O-CD1 3.45Å; G173-V230 WeakPolarHBondContact O-CG1 3.46Å
174S92.8Very high94.2Very high17 Ų1767.1 Ų67.112%0.11936%0.361CS..SBendtrans-158.5147.4-175.9-177.50000109.9N169 N172 G176N169-S174 PolarHBondContact O-N 3.36Å; N172-S174 PolarHBondContact O-N 2.65Å; N172-S174 VanDerWaalsContact O-N 3.12Å; S174-G176 VanDerWaalsContact C-N 3.31Å; S174-G176 PolarHBondContact OG-N 3.42Å; S174-G176 VanDerWaalsContact OG-N 3.15Å
175T90.9Very high94.1Very high18 Ų1869.9 Ų69.911%0.1137%0.368CS..  trans-83.2-7.6170.755.10000113.2Q177 L178 Q223 L224 Y227T175-Q177 PolarHBondContact O-N 3.17Å; T175-L178 VanDerWaalsContact O-CB 3.23Å; T175-L178 WeakPolarHBondContact O-CB 3.37Å; T175-L178 PolarHBondContact O-N 3.44Å; T175-Q223 HydrophobicContact CG2-CB 4.24Å; T175-L224 HydrophobicContact CG2-CB 4.33Å; T175-L224 HydrophobicContact CG2-CD1 4.49Å; T175-Y227 HydrophobicContact CG2-CD2 4.34Å
176G89.4Confident94Very high42 Ų4271.4 Ų71.443%0.43337%0.373SS..THydrogen-bonded Turntrans56.1-125.5177.800000113.2S174 L178S174-G176 VanDerWaalsContact C-N 3.31Å; S174-G176 PolarHBondContact OG-N 3.42Å; S174-G176 VanDerWaalsContact OG-N 3.15Å; G176-L178 VanDerWaalsContact C-N 3.27Å; G176-L178 PolarHBondContact O-N 2.7Å
177Q90.2Very high93.9Very high181 Ų18170.4 Ų70.485%0.84637%0.369SS*.THydrogen-bonded Turntrans-88.915.8-176-61.9-62.6-33.100113.7T175 S179T175-Q177 PolarHBondContact O-N 3.17Å; Q177-S179 PolarHBondContact O-N 3.36Å
178L89.6Confident93.8Very high50 Ų5067.6 Ų67.626%0.26237%0.366SS..  trans-68.7123.2-179.9-164.457.5000110Q165 T175 G176 A180 L183Q165-L178 HydrophobicContact CG-CD2 4.36Å; T175-L178 VanDerWaalsContact O-CB 3.23Å; T175-L178 WeakPolarHBondContact O-CB 3.37Å; T175-L178 PolarHBondContact O-N 3.44Å; G176-L178 VanDerWaalsContact C-N 3.27Å; G176-L178 PolarHBondContact O-N 2.7Å; L178-A180 PolarHBondContact O-N 3.03Å; L178-L183 HydrophobicContact CD2-CD1 3.7Å; L178-L183 HydrophobicContact CD2-CD2 4.03Å; L178-L183 HydrophobicContact CD2-CG 4.18Å; L178-L183 HydrophobicContact CG-CD1 3.82Å; L178-L183 HydrophobicContact CG-CD2 4.22Å; L178-L183 HydrophobicContact CG-CG 4.03Å
179S93.5Very high93.7Very high51 Ų5165.9 Ų65.936%0.35736%0.36SS..  trans-68.5116.2-177.2166.70000111.4Q177 I181 T182 L183Q177-S179 PolarHBondContact O-N 3.36Å; S179-I181 VanDerWaalsContact C-N 3.32Å; S179-I181 PolarHBondContact O-N 3.45Å; S179-T182 VanDerWaalsContact CB-OG1 3.27Å; S179-T182 WeakPolarHBondContact CB-OG1 3Å; S179-T182 PolarHBondContact O-N 2.62Å; S179-T182 VanDerWaalsContact O-N 3.17Å; S179-T182 WeakPolarHBondContact OG-CB 3.48Å; S179-T182 PolarHBondContact OG-N 2.89Å; S179-T182 VanDerWaalsContact OG-N 3.16Å; S179-T182 PolarHBondContact OG-OG1 3.39Å; S179-L183 PolarHBondContact O-N 3.34Å
180A93.8Very high93.6Very high27 Ų2766.3 Ų66.322%0.22336%0.363CS..Hα-helixtrans-54.3-4817500000111.7L178 T182 L183 F184 L224 W228L178-A180 PolarHBondContact O-N 3.03Å; A180-T182 VanDerWaalsContact C-N 3.29Å; A180-T182 PolarHBondContact O-N 3.46Å; A180-L183 PolarHBondContact O-N 2.62Å; A180-F184 HydrophobicContact CB-CE2 4.42Å; A180-F184 WeakPolarHBondContact O-CD2 3.35Å; A180-F184 PolarHBondContact O-N 3.43Å; A180-L224 HydrophobicContact CB-CD1 4.39Å; A180-L224 HydrophobicContact CB-CD2 3.6Å; A180-W228 HydrophobicContact CB-CZ3 4.43Å
181I94.9Very high93.6Very high125 Ų12561.9 Ų61.964%0.64135%0.351SS*.Hα-helixtrans-57.6-45.4178.9-63.3169.1000110.3S179 L183 F184 L185S179-I181 VanDerWaalsContact C-N 3.32Å; S179-I181 PolarHBondContact O-N 3.45Å; I181-L183 PolarHBondContact O-N 3.08Å; I181-F184 PolarHBondContact O-N 3.36Å; I181-L185 HydrophobicContact CG2-CD1 3.98Å; I181-L185 HydrophobicContact CG2-CG 4.37Å; I181-L185 WeakPolarHBondContact O-CB 3.4Å; I181-L185 VanDerWaalsContact O-CG 3.31Å; I181-L185 WeakPolarHBondContact O-CG 3.45Å; I181-L185 PolarHBondContact O-N 3.06Å
182T93.2Very high93.6Very high61 Ų6159 Ų5937%0.37434%0.337SS..Hα-helixtrans-64.4-40.4-179.8-57.80000111.6S179 A180 L185 F186S179-T182 VanDerWaalsContact CB-OG1 3.27Å; S179-T182 WeakPolarHBondContact CB-OG1 3Å; S179-T182 PolarHBondContact O-N 2.62Å; S179-T182 VanDerWaalsContact O-N 3.17Å; S179-T182 WeakPolarHBondContact OG-CB 3.48Å; S179-T182 PolarHBondContact OG-N 2.89Å; S179-T182 VanDerWaalsContact OG-N 3.16Å; S179-T182 PolarHBondContact OG-OG1 3.39Å; A180-T182 VanDerWaalsContact C-N 3.29Å; A180-T182 PolarHBondContact O-N 3.46Å; T182-L185 PolarHBondContact O-N 3.17Å; T182-F186 HydrophobicContact CG2-CD2 3.78Å; T182-F186 HydrophobicContact CG2-CE2 3.35Å; T182-F186 HydrophobicContact CG2-CZ 3.93Å; T182-F186 VanDerWaalsContact O-CD2 3.31Å; T182-F186 WeakPolarHBondContact O-CD2 3.13Å; T182-F186 WeakPolarHBondContact O-CG 3.07Å; T182-F186 PolarHBondContact O-N 2.78Å
183L94.7Very high93.7Very high6 Ų654.7 Ų54.73%0.03131%0.313CS..Hα-helixtrans-63.3-44.7175.7-73.7178.5000112.5L178 S179 A180 I181 F186 A187 L220 V221 L224L178-L183 HydrophobicContact CD2-CD1 3.7Å; L178-L183 HydrophobicContact CD2-CD2 4.03Å; L178-L183 HydrophobicContact CD2-CG 4.18Å; L178-L183 HydrophobicContact CG-CD1 3.82Å; L178-L183 HydrophobicContact CG-CD2 4.22Å; L178-L183 HydrophobicContact CG-CG 4.03Å; S179-L183 PolarHBondContact O-N 3.34Å; A180-L183 PolarHBondContact O-N 2.62Å; I181-L183 PolarHBondContact O-N 3.08Å; L183-F186 PolarHBondContact O-N 2.81Å; L183-A187 PolarHBondContact O-N 2.9Å; L183-L220 HydrophobicContact CD2-CB 3.72Å; L183-L220 HydrophobicContact CD2-CD1 4.08Å; L183-L220 HydrophobicContact CD2-CG 4.46Å; L183-V221 HydrophobicContact CB-CG2 3.97Å; L183-L224 HydrophobicContact CD1-CB 4Å; L183-L224 HydrophobicContact CD1-CD1 4.36Å; L183-L224 HydrophobicContact CD1-CD2 4.11Å; L183-L224 HydrophobicContact CD1-CG 4.39Å
184F95.7Very high93.9Very high79 Ų7955.1 Ų55.135%0.34631%0.309SS..Hα-helixtrans-63.5-43.3175.9-73.9-64.7000112.1A180 I181 F186 A187 L188 V221 L224 F225A180-F184 HydrophobicContact CB-CE2 4.42Å; A180-F184 WeakPolarHBondContact O-CD2 3.35Å; A180-F184 PolarHBondContact O-N 3.43Å; I181-F184 PolarHBondContact O-N 3.36Å; F184-F186 VanDerWaalsContact C-N 3.31Å; F184-F186 PolarHBondContact O-N 3.41Å; F184-A187 PolarHBondContact O-N 3.21Å; F184-L188 WeakPolarHBondContact O-CB 3.29Å; F184-L188 VanDerWaalsContact O-CG 3.32Å; F184-L188 WeakPolarHBondContact O-CG 3.33Å; F184-L188 PolarHBondContact O-N 2.92Å; F184-V221 HydrophobicContact CD1-CG1 4.2Å; F184-V221 HydrophobicContact CD1-CG2 4.37Å; F184-V221 HydrophobicContact CE1-CG1 3.59Å; F184-V221 HydrophobicContact CE1-CG2 4.5Å; F184-V221 HydrophobicContact CZ-CG1 4.14Å; F184-L224 HydrophobicContact CE2-CD2 4.17Å; F184-L224 HydrophobicContact CZ-CD2 4.5Å; F184-F225 AromaticContact CE1-CE2 3.85Å; F184-F225 HydrophobicContact CE1-CE2 3.85Å; F184-F225 AromaticContact CE1-CZ 3.96Å; F184-F225 HydrophobicContact CE1-CZ 3.96Å; F184-F225 HydrophobicContact CZ-CE1 4.33Å; F184-F225 AromaticContact CZ-CE2 3.64Å; F184-F225 HydrophobicContact CZ-CE2 3.64Å; F184-F225 AromaticContact CZ-CZ 3.43Å; F184-F225 HydrophobicContact CZ-CZ 3.43Å; F184-F225 VanDerWaalsContact CZ-CZ 3.43Å
185L94.7Very high94Very high112 Ų11257.4 Ų57.459%0.58632%0.317SS*.Hα-helixtrans-62.5-38.7176.6-72176.6000111.9I181 T182 G189I181-L185 HydrophobicContact CG2-CD1 3.98Å; I181-L185 HydrophobicContact CG2-CG 4.37Å; I181-L185 WeakPolarHBondContact O-CB 3.4Å; I181-L185 VanDerWaalsContact O-CG 3.31Å; I181-L185 WeakPolarHBondContact O-CG 3.45Å; I181-L185 PolarHBondContact O-N 3.06Å; T182-L185 PolarHBondContact O-N 3.17Å; L185-G189 WeakPolarHBondContact O-CA 3.11Å; L185-G189 PolarHBondContact O-N 3Å
186F93.7Very high94.3Very high102 Ų10256.6 Ų56.645%0.44731%0.312SS..Hα-helixtrans-66.1-43.7174-74.5-38000112.3T182 L183 F184 G189 S190 N217T182-F186 HydrophobicContact CG2-CD2 3.78Å; T182-F186 HydrophobicContact CG2-CE2 3.35Å; T182-F186 HydrophobicContact CG2-CZ 3.93Å; T182-F186 VanDerWaalsContact O-CD2 3.31Å; T182-F186 WeakPolarHBondContact O-CD2 3.13Å; T182-F186 WeakPolarHBondContact O-CG 3.07Å; T182-F186 PolarHBondContact O-N 2.78Å; L183-F186 PolarHBondContact O-N 2.81Å; F184-F186 VanDerWaalsContact C-N 3.31Å; F184-F186 PolarHBondContact O-N 3.41Å; F186-G189 PolarHBondContact O-N 3.26Å; F186-S190 WeakPolarHBondContact O-CB 3.22Å; F186-S190 PolarHBondContact O-N 2.86Å; F186-S190 PolarHBondContact O-OG 3.23Å; F186-N217 PolarHBondContact O-ND2 3.02Å; F186-N217 VanDerWaalsContact O-ND2 3.15Å
187A95.6Very high94.6Very high3 Ų354.7 Ų54.73%0.02529%0.291CS..Hα-helixtrans-63.3-47.2177.400000112.1L183 F184 S190 T191 N217 Y218 V221L183-A187 PolarHBondContact O-N 2.9Å; F184-A187 PolarHBondContact O-N 3.21Å; A187-S190 PolarHBondContact O-N 2.94Å; A187-S190 PolarHBondContact O-OG 2.89Å; A187-T191 WeakPolarHBondContact O-CB 3.14Å; A187-T191 PolarHBondContact O-N 3.44Å; A187-T191 PolarHBondContact O-OG1 3.47Å; A187-T191 VanDerWaalsContact O-OG1 3.06Å; A187-N217 HydrophobicContact CB-CB 4.14Å; A187-Y218 HydrophobicContact CB-CD1 4.32Å; A187-Y218 HydrophobicContact CB-CE1 4.15Å; A187-V221 HydrophobicContact CB-CG2 4.06Å
188L95.5Very high94.9Very high104 Ų10450.1 Ų50.155%0.54527%0.272SS..Hα-helixtrans-63.5-46.2176.2-70175.2000111.4F184 S190 T191 V192F184-L188 WeakPolarHBondContact O-CB 3.29Å; F184-L188 VanDerWaalsContact O-CG 3.32Å; F184-L188 WeakPolarHBondContact O-CG 3.33Å; F184-L188 PolarHBondContact O-N 2.92Å; L188-S190 PolarHBondContact O-N 3.44Å; L188-T191 PolarHBondContact O-N 3.31Å; L188-V192 WeakPolarHBondContact O-CG2 3.29Å; L188-V192 PolarHBondContact O-N 3.43Å
189G94.2Very high95.2Very high26 Ų2651.5 Ų51.527%0.26828%0.277SS..Hα-helixtrans-59.3-44.417800000112.4L185 F186 V192 R193L185-G189 WeakPolarHBondContact O-CA 3.11Å; L185-G189 PolarHBondContact O-N 3Å; F186-G189 PolarHBondContact O-N 3.26Å; G189-V192 PolarHBondContact O-N 3.25Å; G189-R193 WeakPolarHBondContact O-CB 3.36Å; G189-R193 VanDerWaalsContact O-CG 3.29Å; G189-R193 WeakPolarHBondContact O-CG 3.33Å; G189-R193 PolarHBondContact O-N 3.09Å
190S94.3Very high95.1Very high12 Ų1250.5 Ų50.58%0.08427%0.267CS..Hα-helixtrans-67.4-36.5176.352.40000112.8F186 A187 L188 R193 I194 S214 N217F186-S190 WeakPolarHBondContact O-CB 3.22Å; F186-S190 PolarHBondContact O-N 2.86Å; F186-S190 PolarHBondContact O-OG 3.23Å; A187-S190 PolarHBondContact O-N 2.94Å; A187-S190 PolarHBondContact O-OG 2.89Å; L188-S190 PolarHBondContact O-N 3.44Å; S190-R193 WeakPolarHBondContact O-CB 3.28Å; S190-R193 PolarHBondContact O-N 2.71Å; S190-I194 WeakPolarHBondContact O-CG1 3.42Å; S190-I194 PolarHBondContact O-N 3.33Å; S190-S214 VanDerWaalsContact OG-CA 3.31Å; S190-S214 WeakPolarHBondContact OG-CA 3.29Å; S190-S214 WeakPolarHBondContact OG-CB 3.01Å; S190-S214 PolarHBondContact OG-OG 3.23Å; S190-N217 PolarHBondContact OG-ND2 3.14Å; S190-N217 VanDerWaalsContact OG-ND2 3.08Å
191T95.5Very high95.2Very high52 Ų5250.5 Ų50.532%0.31926%0.264SS..Hα-helixtrans-66-44175.3-65.50000111.9A187 L188 R193 I194 F195 S214 Y218A187-T191 WeakPolarHBondContact O-CB 3.14Å; A187-T191 PolarHBondContact O-N 3.44Å; A187-T191 PolarHBondContact O-OG1 3.47Å; A187-T191 VanDerWaalsContact O-OG1 3.06Å; L188-T191 PolarHBondContact O-N 3.31Å; T191-R193 VanDerWaalsContact C-N 3.26Å; T191-R193 PolarHBondContact O-N 3.46Å; T191-I194 WeakPolarHBondContact O-CB 3.23Å; T191-I194 PolarHBondContact O-N 3.28Å; T191-F195 PolarHBondContact O-N 2.98Å; T191-S214 PolarHBondContact OG1-OG 3.06Å; T191-Y218 WeakPolarHBondContact OG1-CE2 3.4Å; T191-Y218 PolarHBondContact OG1-OH 2.84Å
192V96.7Very high95.1Very high34 Ų3446.8 Ų46.821%0.20626%0.256CS..Hα-helixtrans-58.7-42.3172.71720000110.3L39 I43 L188 G189 I194 F195 T196L39-V192 HydrophobicContact CB-CG1 3.65Å; L39-V192 HydrophobicContact CD1-CG1 4.09Å; L39-V192 HydrophobicContact CD2-CG1 4.3Å; L39-V192 HydrophobicContact CD2-CG2 4.39Å; L39-V192 HydrophobicContact CG-CG1 4.23Å; I43-V192 HydrophobicContact CD1-CB 4Å; I43-V192 HydrophobicContact CD1-CG1 3.43Å; I43-V192 VanDerWaalsContact CD1-CG1 3.43Å; I43-V192 HydrophobicContact CG1-CG1 4.36Å; L188-V192 WeakPolarHBondContact O-CG2 3.29Å; L188-V192 PolarHBondContact O-N 3.43Å; G189-V192 PolarHBondContact O-N 3.25Å; V192-I194 VanDerWaalsContact C-N 3.34Å; V192-I194 PolarHBondContact O-N 3.03Å; V192-F195 PolarHBondContact O-N 2.87Å; V192-F195 VanDerWaalsContact O-N 3.17Å; V192-T196 HydrophobicContact CG1-CG2 4.05Å; V192-T196 WeakPolarHBondContact O-CG2 3.42Å; V192-T196 PolarHBondContact O-N 2.96Å; V192-T196 PolarHBondContact O-OG1 3.22Å
193R95.6Very high95.2Very high22 Ų2245.4 Ų45.48%0.08325%0.247CC..Hα-helixtrans-62.8-35177-75.8-75.3171.1-149.9-14.7113.9I43 S94 A95 E98 G189 S190 T191 T196 S197 C210I43-R193 HydrophobicContact CD1-CG 4.16Å; S94-R193 PolarHBondContact O-NH1 2.9Å; A95-R193 PolarHBondContact O-NH1 3.13Å; E98-R193 IonicContact OE1-CZ 2.98Å; E98-R193 IonicContact OE1-NE 3.37Å; E98-R193 PolarHBondContact OE1-NE 3.43Å; E98-R193 IonicContact OE1-NH1 3.08Å; E98-R193 PolarHBondContact OE1-NH1 3.48Å; E98-R193 IonicContact OE1-NH2 2.62Å; E98-R193 PolarHBondContact OE1-NH2 2.9Å; E98-R193 VanDerWaalsContact OE1-NH2 3.13Å; E98-R193 IonicContact OE2-CZ 2.94Å; E98-R193 IonicContact OE2-NE 2.74Å; E98-R193 IonicContact OE2-NH1 2.85Å; E98-R193 PolarHBondContact OE2-NH1 2.87Å; E98-R193 VanDerWaalsContact OE2-NH1 3.08Å; E98-R193 IonicContact OE2-NH2 3.87Å; E98-R193 PolarHBondContact OE2-NH2 3.3Å; G189-R193 WeakPolarHBondContact O-CB 3.36Å; G189-R193 VanDerWaalsContact O-CG 3.29Å; G189-R193 WeakPolarHBondContact O-CG 3.33Å; G189-R193 PolarHBondContact O-N 3.09Å; S190-R193 WeakPolarHBondContact O-CB 3.28Å; S190-R193 PolarHBondContact O-N 2.71Å; T191-R193 VanDerWaalsContact C-N 3.26Å; T191-R193 PolarHBondContact O-N 3.46Å; R193-T196 WeakPolarHBondContact CA-OG1 3.16Å; R193-T196 PolarHBondContact O-OG1 3.04Å; R193-S197 WeakPolarHBondContact O-CB 3.42Å; R193-S197 PolarHBondContact O-N 3.26Å; R193-S197 PolarHBondContact O-OG 3.39Å; R193-C210 HydrophobicContact CB-CB 4.33Å
194I96.8Very high95.2Very high34 Ų3454.6 Ų54.617%0.17428%0.283CS..Hα-helixtrans-60.6-51.6172-65.2165.9000109.5S190 T191 V192 S197 I198 C210 I211S190-I194 WeakPolarHBondContact O-CG1 3.42Å; S190-I194 PolarHBondContact O-N 3.33Å; T191-I194 WeakPolarHBondContact O-CB 3.23Å; T191-I194 PolarHBondContact O-N 3.28Å; V192-I194 VanDerWaalsContact C-N 3.34Å; V192-I194 PolarHBondContact O-N 3.03Å; I194-S197 PolarHBondContact O-N 3.46Å; I194-I198 HydrophobicContact CG2-CD1 3.76Å; I194-I198 VanDerWaalsContact O-CG1 3.29Å; I194-I198 WeakPolarHBondContact O-CG1 3.44Å; I194-I198 PolarHBondContact O-N 3.29Å; I194-C210 HydrophobicContact CB-CB 4.43Å; I194-C210 HydrophobicContact CG1-CB 3.62Å; I194-I211 HydrophobicContact CD1-CG1 4.02Å; I194-I211 HydrophobicContact CG1-CG1 4.05Å; I194-I211 HydrophobicContact CG2-CG1 4.19Å
195F96.4Very high95.1Very high65 Ų6552.7 Ų52.729%0.28528%0.276SS..Hα-helixtrans-60.1-49.7-179.4178.4-102.6000111.6K32 I35 L39 T191 V192 S197 I198 Q199K32-F195 HydrophobicContact CB-CZ 4.2Å; K32-F195 HydrophobicContact CG-CZ 4.41Å; I35-F195 HydrophobicContact CG2-CE1 4.11Å; L39-F195 HydrophobicContact CD1-CD1 4.15Å; L39-F195 HydrophobicContact CD1-CE1 4.44Å; T191-F195 PolarHBondContact O-N 2.98Å; V192-F195 PolarHBondContact O-N 2.87Å; V192-F195 VanDerWaalsContact O-N 3.17Å; F195-S197 PolarHBondContact O-N 2.95Å; F195-I198 PolarHBondContact O-N 2.83Å; F195-Q199 HydrophobicContact CD1-CG 4.44Å; F195-Q199 HydrophobicContact CD2-CG 4.23Å; F195-Q199 HydrophobicContact CE1-CG 4.09Å; F195-Q199 HydrophobicContact CE2-CG 3.85Å; F195-Q199 HydrophobicContact CZ-CG 3.78Å; F195-Q199 WeakPolarHBondContact O-CG 3.49Å; F195-Q199 PolarHBondContact O-N 3.39Å
196T96.2Very high95.1Very high1 Ų148 Ų481%0.00625%0.251CS..Hα-helixtrans-65.5-39.5-179.560.80000111.9S36 L39 V192 R193 I198 Q199 E200S36-T196 WeakPolarHBondContact O-CG2 3.22Å; S36-T196 WeakPolarHBondContact OG-CA 3.39Å; L39-T196 HydrophobicContact CB-CG2 4.12Å; V192-T196 HydrophobicContact CG1-CG2 4.05Å; V192-T196 WeakPolarHBondContact O-CG2 3.42Å; V192-T196 PolarHBondContact O-N 2.96Å; V192-T196 PolarHBondContact O-OG1 3.22Å; R193-T196 WeakPolarHBondContact CA-OG1 3.16Å; R193-T196 PolarHBondContact O-OG1 3.04Å; T196-I198 PolarHBondContact O-N 3.48Å; T196-Q199 PolarHBondContact O-N 3.07Å; T196-E200 WeakPolarHBondContact O-CB 3.36Å; T196-E200 WeakPolarHBondContact O-CG 3.19Å; T196-E200 PolarHBondContact O-N 3.29Å
197S96.1Very high95.2Very high1 Ų144.2 Ų44.21%0.00724%0.235CC..Hα-helixtrans-62.1-43.7177.3-57.50000111.9R193 I194 F195 T201 G202 M206 C210R193-S197 WeakPolarHBondContact O-CB 3.42Å; R193-S197 PolarHBondContact O-N 3.26Å; R193-S197 PolarHBondContact O-OG 3.39Å; I194-S197 PolarHBondContact O-N 3.46Å; F195-S197 PolarHBondContact O-N 2.95Å; S197-T201 PolarHBondContact O-N 3.39Å; S197-T201 PolarHBondContact O-OG1 2.91Å; S197-G202 PolarHBondContact O-N 3.14Å; S197-M206 WeakPolarHBondContact OG-CE 3.24Å; S197-C210 PolarHBondContact OG-SG 3.48Å
198I96.6Very high95.2Very high85 Ų8548.2 Ų48.244%0.43626%0.256SS..Hα-helixtrans-61-48.5176.4-68.3167.8000110.4I194 F195 T196 I207I194-I198 HydrophobicContact CG2-CD1 3.76Å; I194-I198 VanDerWaalsContact O-CG1 3.29Å; I194-I198 WeakPolarHBondContact O-CG1 3.44Å; I194-I198 PolarHBondContact O-N 3.29Å; F195-I198 PolarHBondContact O-N 2.83Å; T196-I198 PolarHBondContact O-N 3.48Å; I198-I207 HydrophobicContact CB-CD1 4.43Å; I198-I207 HydrophobicContact CD1-CG2 4.44Å; I198-I207 HydrophobicContact CG1-CD1 3.83Å; I198-I207 HydrophobicContact CG1-CG1 3.9Å; I198-I207 HydrophobicContact CG1-CG2 3.97Å
199Q95.1Very high95.1Very high80 Ų8044.5 Ų44.537%0.37424%0.238SC..Hα-helixtrans-75.4-30.5-174.6-61.9-58-3.100113.9F195 T196F195-Q199 HydrophobicContact CD1-CG 4.44Å; F195-Q199 HydrophobicContact CD2-CG 4.23Å; F195-Q199 HydrophobicContact CE1-CG 4.09Å; F195-Q199 HydrophobicContact CE2-CG 3.85Å; F195-Q199 HydrophobicContact CZ-CG 3.78Å; F195-Q199 WeakPolarHBondContact O-CG 3.49Å; F195-Q199 PolarHBondContact O-N 3.39Å; T196-Q199 PolarHBondContact O-N 3.07Å
200E92.8Very high95.1Very high29 Ų2944 Ų4414%0.13623%0.23CC..Hα-helixtrans-103.6-25.3-168.3-63.3-85.3116.800113.7S36 K37 P92 S94 A95 T196S36-E200 WeakPolarHBondContact OG-CG 3.17Å; K37-E200 WeakPolarHBondContact CD-OE1 3.45Å; K37-E200 VanDerWaalsContact CD-OE2 3.22Å; K37-E200 WeakPolarHBondContact CD-OE2 3.4Å; K37-E200 WeakPolarHBondContact CE-OE1 3.42Å; K37-E200 WeakPolarHBondContact CE-OE2 3.42Å; K37-E200 IonicContact NZ-OE1 3.54Å; K37-E200 IonicContact NZ-OE2 2.66Å; K37-E200 PolarHBondContact NZ-OE2 3.45Å; P92-E200 VanDerWaalsContact CD-O 3.28Å; P92-E200 WeakPolarHBondContact CD-O 3.28Å; P92-E200 HydrophobicContact CG-CB 3.78Å; P92-E200 HydrophobicContact CG-CG 4.45Å; P92-E200 WeakPolarHBondContact CG-OE2 3.44Å; S94-E200 PolarHBondContact OG-OE2 2.91Å; A95-E200 HydrophobicContact CB-CB 4.1Å; T196-E200 WeakPolarHBondContact O-CB 3.36Å; T196-E200 WeakPolarHBondContact O-CG 3.19Å; T196-E200 PolarHBondContact O-N 3.29Å
201T94Very high95.2Very high27 Ų2746.5 Ų46.517%0.16624%0.242CC..THydrogen-bonded Turntrans-122.3-37.7-172.770.40000113.5F91 A95 S197 D203 M206F91-T201 HydrophobicContact CB-CG2 3.85Å; F91-T201 HydrophobicContact CD1-CG2 3.71Å; F91-T201 HydrophobicContact CD2-CG2 3.75Å; F91-T201 HydrophobicContact CE1-CG2 4.21Å; F91-T201 HydrophobicContact CE2-CG2 4.26Å; F91-T201 HydrophobicContact CG-CG2 3.48Å; F91-T201 VanDerWaalsContact CG-CG2 3.48Å; F91-T201 HydrophobicContact CZ-CG2 4.49Å; A95-T201 HydrophobicContact CB-CG2 3.78Å; S197-T201 PolarHBondContact O-N 3.39Å; S197-T201 PolarHBondContact O-OG1 2.91Å; T201-D203 PolarHBondContact O-N 3.22Å; T201-D203 VanDerWaalsContact O-N 3.14Å; T201-D203 PolarHBondContact OG1-N 3.2Å; T201-M206 HydrophobicContact CG2-CE 3.33Å; T201-M206 HydrophobicContact CG2-SD 4.29Å
202G93.2Very high95.3Very high47 Ų4746.5 Ų46.549%0.48524%0.24SC..  trans62.210.1-169.400000114.1S197S197-G202 PolarHBondContact O-N 3.14Å
203D95.5Very high95.2Very high32 Ų3246 Ų4617%0.17124%0.239CC..  trans-84.2118.1-174.6177.849000111.9Y85 F91 T201 L205 M206 I207Y85-D203 VanDerWaalsContact OH-CG 3.27Å; Y85-D203 PolarHBondContact OH-OD1 2.65Å; Y85-D203 PolarHBondContact OH-OD2 3.14Å; F91-D203 HydrophobicContact CE1-CB 4.02Å; F91-D203 HydrophobicContact CE2-CB 4.1Å; F91-D203 HydrophobicContact CZ-CB 3.38Å; T201-D203 PolarHBondContact O-N 3.22Å; T201-D203 VanDerWaalsContact O-N 3.14Å; T201-D203 PolarHBondContact OG1-N 3.2Å; D203-L205 VanDerWaalsContact C-N 3.29Å; D203-L205 PolarHBondContact O-N 2.82Å; D203-M206 HydrophobicContact CB-CB 4.23Å; D203-M206 PolarHBondContact O-N 3.3Å; D203-M206 WeakPolarHBondContact OD2-CB 3.3Å; D203-M206 PolarHBondContact OD2-N 3.14Å; D203-I207 WeakPolarHBondContact O-CB 3.39Å; D203-I207 WeakPolarHBondContact O-CD1 3.5Å; D203-I207 WeakPolarHBondContact O-CG1 3.45Å; D203-I207 PolarHBondContact O-N 2.9Å
204Y95.2Very high95.2Very high200 Ų20045.1 Ų45.178%0.78424%0.236SC*.Hα-helixtrans-61.2-36.5-177.9-67.4-68.3000112.8L208Y204-L208 WeakPolarHBondContact O-CB 3.46Å; Y204-L208 PolarHBondContact O-N 3.03Å
205L94.1Very high95.2Very high39 Ų3948.2 Ų48.220%0.20425%0.253CS..Hα-helixtrans-66.4-47.4-179.1-179.659.8000110.8Y85 I148 Q151 D203 S209Y85-L205 HydrophobicContact CE2-CD2 4.37Å; I148-L205 HydrophobicContact CG2-CD2 4.32Å; Q151-L205 HydrophobicContact CB-CD2 4.18Å; Q151-L205 HydrophobicContact CG-CD2 3.62Å; Q151-L205 HydrophobicContact CG-CG 4.08Å; D203-L205 VanDerWaalsContact C-N 3.29Å; D203-L205 PolarHBondContact O-N 2.82Å; L205-S209 WeakPolarHBondContact O-CB 2.97Å; L205-S209 PolarHBondContact O-N 3.03Å
206M93.6Very high95.3Very high13 Ų1345.3 Ų45.36%0.06424%0.241CC..Hα-helixtrans-65.4-44.5176.6-165165.3103.800112.1F91 A95 S197 T201 D203 L208 S209 C210F91-M206 HydrophobicContact CD2-SD 4.18Å; F91-M206 HydrophobicContact CE2-SD 4.22Å; A95-M206 HydrophobicContact CB-CE 4.1Å; S197-M206 WeakPolarHBondContact OG-CE 3.24Å; T201-M206 HydrophobicContact CG2-CE 3.33Å; T201-M206 HydrophobicContact CG2-SD 4.29Å; D203-M206 HydrophobicContact CB-CB 4.23Å; D203-M206 PolarHBondContact O-N 3.3Å; D203-M206 WeakPolarHBondContact OD2-CB 3.3Å; D203-M206 PolarHBondContact OD2-N 3.14Å; M206-L208 PolarHBondContact O-N 3.13Å; M206-S209 PolarHBondContact O-N 2.66Å; M206-S209 PolarHBondContact O-OG 3.41Å; M206-C210 PolarHBondContact O-N 3.13Å; M206-C210 PolarHBondContact O-SG 3.36Å
207I96.4Very high95.3Very high23 Ų2345.7 Ų45.712%0.11824%0.243CC..Hα-helixtrans-60.8-47.5178-67.6162.5000110.7I198 D203 S209 C210 I211I198-I207 HydrophobicContact CB-CD1 4.43Å; I198-I207 HydrophobicContact CD1-CG2 4.44Å; I198-I207 HydrophobicContact CG1-CD1 3.83Å; I198-I207 HydrophobicContact CG1-CG1 3.9Å; I198-I207 HydrophobicContact CG1-CG2 3.97Å; D203-I207 WeakPolarHBondContact O-CB 3.39Å; D203-I207 WeakPolarHBondContact O-CD1 3.5Å; D203-I207 WeakPolarHBondContact O-CG1 3.45Å; D203-I207 PolarHBondContact O-N 2.9Å; I207-S209 VanDerWaalsContact C-N 3.3Å; I207-S209 PolarHBondContact O-N 2.61Å; I207-C210 PolarHBondContact O-N 2.97Å; I207-C210 VanDerWaalsContact O-N 3.16Å; I207-I211 HydrophobicContact CG2-CD1 3.76Å; I207-I211 HydrophobicContact CG2-CG1 4.39Å; I207-I211 WeakPolarHBondContact O-CG1 3.46Å; I207-I211 PolarHBondContact O-N 3.18Å
208L95.3Very high95.4Very high87 Ų8750.9 Ų50.946%0.45526%0.263SS..Hα-helixtrans-60.2-42.2177.9-179.962.6000111.4Y204 M206 C210 I211 L212Y204-L208 WeakPolarHBondContact O-CB 3.46Å; Y204-L208 PolarHBondContact O-N 3.03Å; M206-L208 PolarHBondContact O-N 3.13Å; L208-C210 VanDerWaalsContact C-N 3.29Å; L208-C210 PolarHBondContact O-N 2.88Å; L208-I211 PolarHBondContact O-N 3.38Å; L208-L212 HydrophobicContact CD1-CD1 4.08Å; L208-L212 HydrophobicContact CD1-CG 4.09Å; L208-L212 HydrophobicContact CG-CD1 4.01Å; L208-L212 HydrophobicContact CG-CG 4.41Å; L208-L212 WeakPolarHBondContact O-CG 3.49Å; L208-L212 PolarHBondContact O-N 3.36Å
209S93.8Very high95.5Very high25 Ų2550.7 Ų50.718%0.17526%0.262CS..Hα-helixtrans-59-41.5176.578.70000112.4L205 M206 I207 A213L205-S209 WeakPolarHBondContact O-CB 2.97Å; L205-S209 PolarHBondContact O-N 3.03Å; M206-S209 PolarHBondContact O-N 2.66Å; M206-S209 PolarHBondContact O-OG 3.41Å; I207-S209 VanDerWaalsContact C-N 3.3Å; I207-S209 PolarHBondContact O-N 2.61Å; S209-A213 VanDerWaalsContact O-CB 3.29Å; S209-A213 WeakPolarHBondContact O-CB 3.24Å; S209-A213 PolarHBondContact O-N 3.46Å
210C94.2Very high95.6Very high15 Ų1547 Ų4710%0.10125%0.245CC..Hα-helixtrans-69.3-40.5178-63.60000111.8R193 I194 S197 M206 I207 L208 S214R193-C210 HydrophobicContact CB-CB 4.33Å; I194-C210 HydrophobicContact CB-CB 4.43Å; I194-C210 HydrophobicContact CG1-CB 3.62Å; S197-C210 PolarHBondContact OG-SG 3.48Å; M206-C210 PolarHBondContact O-N 3.13Å; M206-C210 PolarHBondContact O-SG 3.36Å; I207-C210 PolarHBondContact O-N 2.97Å; I207-C210 VanDerWaalsContact O-N 3.16Å; L208-C210 VanDerWaalsContact C-N 3.29Å; L208-C210 PolarHBondContact O-N 2.88Å; C210-S214 VanDerWaalsContact O-CB 3.26Å; C210-S214 WeakPolarHBondContact O-CB 3.3Å; C210-S214 PolarHBondContact O-N 3.48Å
211I97.2Very high95.8Very high65 Ų6546.2 Ų46.233%0.33324%0.242SC..Hα-helixtrans-61.2-51.2176.8-69.1169.3000110.4I194 I207 L208 A213 S214 L215I194-I211 HydrophobicContact CD1-CG1 4.02Å; I194-I211 HydrophobicContact CG1-CG1 4.05Å; I194-I211 HydrophobicContact CG2-CG1 4.19Å; I207-I211 HydrophobicContact CG2-CD1 3.76Å; I207-I211 HydrophobicContact CG2-CG1 4.39Å; I207-I211 WeakPolarHBondContact O-CG1 3.46Å; I207-I211 PolarHBondContact O-N 3.18Å; L208-I211 PolarHBondContact O-N 3.38Å; I211-A213 PolarHBondContact O-N 3.2Å; I211-S214 PolarHBondContact O-N 2.95Å; I211-S214 VanDerWaalsContact O-N 3.17Å; I211-L215 HydrophobicContact CG2-CD1 4.15Å; I211-L215 HydrophobicContact CG2-CG 4.48Å; I211-L215 WeakPolarHBondContact O-CG 3.39Å; I211-L215 PolarHBondContact O-N 3Å
212L96.4Very high95.9Very high52 Ų5246.7 Ų46.727%0.27225%0.252SS..Hα-helixtrans-64.2-40.8-178.9-66.3175000112L155 L159 L208 S214 L215 C216L155-L212 HydrophobicContact CD1-CD1 4.27Å; L155-L212 HydrophobicContact CD2-CD1 4.29Å; L159-L212 HydrophobicContact CD1-CB 4.17Å; L159-L212 HydrophobicContact CD1-CD1 3.94Å; L159-L212 HydrophobicContact CD2-CB 3.81Å; L208-L212 HydrophobicContact CD1-CD1 4.08Å; L208-L212 HydrophobicContact CD1-CG 4.09Å; L208-L212 HydrophobicContact CG-CD1 4.01Å; L208-L212 HydrophobicContact CG-CG 4.41Å; L208-L212 WeakPolarHBondContact O-CG 3.49Å; L208-L212 PolarHBondContact O-N 3.36Å; L212-S214 VanDerWaalsContact C-N 3.33Å; L212-S214 PolarHBondContact O-N 2.96Å; L212-L215 HydrophobicContact CD2-CD1 4.5Å; L212-C216 PolarHBondContact O-N 2.87Å; L212-C216 VanDerWaalsContact O-N 3.15Å; L212-C216 PolarHBondContact O-SG 2.98Å
213A94.6Very high96.1Very high23 Ų2345.4 Ų45.419%0.1923%0.234CC..Hα-helixtrans-61.7-42.1173.600000111.8S209 I211 C216 N217S209-A213 VanDerWaalsContact O-CB 3.29Å; S209-A213 WeakPolarHBondContact O-CB 3.24Å; S209-A213 PolarHBondContact O-N 3.46Å; I211-A213 PolarHBondContact O-N 3.2Å; A213-C216 PolarHBondContact O-N 3.11Å; A213-N217 VanDerWaalsContact O-CG 3.24Å; A213-N217 PolarHBondContact O-N 3.43Å; A213-N217 PolarHBondContact O-ND2 2.94Å
214S95.7Very high96.1Very high4 Ų444.2 Ų44.23%0.02823%0.227CC..Hα-helixtrans-66-44.3179.4-160.70000112.3S190 T191 C210 I211 L212 C216 N217 Y218S190-S214 VanDerWaalsContact OG-CA 3.31Å; S190-S214 WeakPolarHBondContact OG-CA 3.29Å; S190-S214 WeakPolarHBondContact OG-CB 3.01Å; S190-S214 PolarHBondContact OG-OG 3.23Å; T191-S214 PolarHBondContact OG1-OG 3.06Å; C210-S214 VanDerWaalsContact O-CB 3.26Å; C210-S214 WeakPolarHBondContact O-CB 3.3Å; C210-S214 PolarHBondContact O-N 3.48Å; I211-S214 PolarHBondContact O-N 2.95Å; I211-S214 VanDerWaalsContact O-N 3.17Å; L212-S214 VanDerWaalsContact C-N 3.33Å; L212-S214 PolarHBondContact O-N 2.96Å; S214-C216 VanDerWaalsContact C-N 3.31Å; S214-C216 PolarHBondContact O-N 3.34Å; S214-N217 PolarHBondContact O-N 3.45Å; S214-N217 VanDerWaalsContact O-N 3.14Å; S214-Y218 WeakPolarHBondContact O-CD2 3.41Å; S214-Y218 PolarHBondContact O-N 3.45Å; S214-Y218 VanDerWaalsContact OG-CE2 3.31Å; S214-Y218 WeakPolarHBondContact OG-CE2 3.47Å
215L97.5Very high96.1Very high99 Ų9940.6 Ų40.652%0.51822%0.216SC..Hα-helixtrans-55.4-46.9173.9-71.2173000111.3I211 L212 N217 Y218 I219I211-L215 HydrophobicContact CG2-CD1 4.15Å; I211-L215 HydrophobicContact CG2-CG 4.48Å; I211-L215 WeakPolarHBondContact O-CG 3.39Å; I211-L215 PolarHBondContact O-N 3Å; L212-L215 HydrophobicContact CD2-CD1 4.5Å; L215-N217 PolarHBondContact O-N 2.71Å; L215-Y218 PolarHBondContact O-N 2.8Å; L215-I219 VanDerWaalsContact O-CG1 3.29Å; L215-I219 WeakPolarHBondContact O-CG1 3.42Å; L215-I219 PolarHBondContact O-N 3.37Å
216C97.5Very high96.2Very high5 Ų547.3 Ų47.33%0.03424%0.24CC..Hα-helixtrans-62.5-43.1177-65.80000112.4K162 I166 L212 A213 S214 Y218 I219 L220K162-C216 HydrophobicContact CB-CB 3.75Å; K162-C216 HydrophobicContact CG-CB 4.09Å; I166-C216 HydrophobicContact CD1-CB 4.27Å; L212-C216 PolarHBondContact O-N 2.87Å; L212-C216 VanDerWaalsContact O-N 3.15Å; L212-C216 PolarHBondContact O-SG 2.98Å; A213-C216 PolarHBondContact O-N 3.11Å; S214-C216 VanDerWaalsContact C-N 3.31Å; S214-C216 PolarHBondContact O-N 3.34Å; C216-Y218 VanDerWaalsContact C-N 3.35Å; C216-Y218 PolarHBondContact O-N 3.47Å; C216-I219 PolarHBondContact O-N 2.94Å; C216-L220 WeakPolarHBondContact O-CG 3.27Å; C216-L220 PolarHBondContact O-N 3.34Å
217N97Very high96.2Very high9 Ų948 Ų485%0.04824%0.242CC..Hα-helixtrans-63.9-39.5177.8-69.5-27.3000111.7F186 A187 S190 A213 S214 L215 L220 V221F186-N217 PolarHBondContact O-ND2 3.02Å; F186-N217 VanDerWaalsContact O-ND2 3.15Å; A187-N217 HydrophobicContact CB-CB 4.14Å; S190-N217 PolarHBondContact OG-ND2 3.14Å; S190-N217 VanDerWaalsContact OG-ND2 3.08Å; A213-N217 VanDerWaalsContact O-CG 3.24Å; A213-N217 PolarHBondContact O-N 3.43Å; A213-N217 PolarHBondContact O-ND2 2.94Å; S214-N217 PolarHBondContact O-N 3.45Å; S214-N217 VanDerWaalsContact O-N 3.14Å; L215-N217 PolarHBondContact O-N 2.71Å; N217-L220 PolarHBondContact O-N 3.07Å; N217-V221 WeakPolarHBondContact O-CG2 3.1Å; N217-V221 PolarHBondContact O-N 3.35Å
218Y98Very high96Very high110 Ų11054.5 Ų54.543%0.43127%0.265SS..Hα-helixtrans-69.1-35.7175.3-81-66.1000113A187 T191 S214 L215 C216 L220 V221 G222A187-Y218 HydrophobicContact CB-CD1 4.32Å; A187-Y218 HydrophobicContact CB-CE1 4.15Å; T191-Y218 WeakPolarHBondContact OG1-CE2 3.4Å; T191-Y218 PolarHBondContact OG1-OH 2.84Å; S214-Y218 WeakPolarHBondContact O-CD2 3.41Å; S214-Y218 PolarHBondContact O-N 3.45Å; S214-Y218 VanDerWaalsContact OG-CE2 3.31Å; S214-Y218 WeakPolarHBondContact OG-CE2 3.47Å; L215-Y218 PolarHBondContact O-N 2.8Å; C216-Y218 VanDerWaalsContact C-N 3.35Å; C216-Y218 PolarHBondContact O-N 3.47Å; Y218-L220 VanDerWaalsContact C-N 3.32Å; Y218-L220 PolarHBondContact O-N 3.41Å; Y218-V221 PolarHBondContact O-N 2.75Å; Y218-G222 PolarHBondContact O-N 2.86Å
219I97.7Very high95.5Very high81 Ų8157.4 Ų57.442%0.41528%0.281SS..Hα-helixtrans-61.2-43.9172-68.4164000110.3I166 L215 C216 V221 G222 Q223I166-I219 HydrophobicContact CD1-CB 4.08Å; I166-I219 HydrophobicContact CD1-CG2 3.84Å; I166-I219 HydrophobicContact CG1-CG2 4.02Å; I166-I219 HydrophobicContact CG2-CG2 3.83Å; L215-I219 VanDerWaalsContact O-CG1 3.29Å; L215-I219 WeakPolarHBondContact O-CG1 3.42Å; L215-I219 PolarHBondContact O-N 3.37Å; C216-I219 PolarHBondContact O-N 2.94Å; I219-V221 PolarHBondContact O-N 3.44Å; I219-G222 CarbonylContact O-C 3.59Å; I219-G222 PolarHBondContact O-N 3.08Å; I219-G222 VanDerWaalsContact O-N 3.17Å; I219-Q223 WeakPolarHBondContact O-CG 3.36Å; I219-Q223 PolarHBondContact O-N 2.78Å
220L97.1Very high94.8Very high3 Ų359.6 Ų59.62%0.01629%0.293CS..Hα-helixtrans-63.3-40.7176.8-72.3170.2000112.4K162 Q165 I166 N169 L183 C216 N217 Y218 G222 Q223 L224K162-L220 HydrophobicContact CD-CD1 4.1Å; Q165-L220 HydrophobicContact CB-CD2 4.25Å; Q165-L220 HydrophobicContact CG-CD2 3.72Å; I166-L220 HydrophobicContact CB-CD2 4.4Å; I166-L220 HydrophobicContact CD1-CG 4.34Å; I166-L220 HydrophobicContact CG1-CD2 3.48Å; I166-L220 VanDerWaalsContact CG1-CD2 3.48Å; I166-L220 HydrophobicContact CG1-CG 3.7Å; N169-L220 WeakPolarHBondContact ND2-CD2 3.42Å; L183-L220 HydrophobicContact CD2-CB 3.72Å; L183-L220 HydrophobicContact CD2-CD1 4.08Å; L183-L220 HydrophobicContact CD2-CG 4.46Å; C216-L220 WeakPolarHBondContact O-CG 3.27Å; C216-L220 PolarHBondContact O-N 3.34Å; N217-L220 PolarHBondContact O-N 3.07Å; Y218-L220 VanDerWaalsContact C-N 3.32Å; Y218-L220 PolarHBondContact O-N 3.41Å; L220-G222 VanDerWaalsContact C-N 3.33Å; L220-Q223 PolarHBondContact O-N 2.04Å; L220-L224 PolarHBondContact O-N 3.45Å
221V97.6Very high93.2Very high11 Ų1163.7 Ų63.77%0.06732%0.322CS..Hα-helixtrans-63.1-41.1172.1170.20000110.9L183 F184 A187 N217 Y218 I219 L224 F225L183-V221 HydrophobicContact CB-CG2 3.97Å; F184-V221 HydrophobicContact CD1-CG1 4.2Å; F184-V221 HydrophobicContact CD1-CG2 4.37Å; F184-V221 HydrophobicContact CE1-CG1 3.59Å; F184-V221 HydrophobicContact CE1-CG2 4.5Å; F184-V221 HydrophobicContact CZ-CG1 4.14Å; A187-V221 HydrophobicContact CB-CG2 4.06Å; N217-V221 WeakPolarHBondContact O-CG2 3.1Å; N217-V221 PolarHBondContact O-N 3.35Å; Y218-V221 PolarHBondContact O-N 2.75Å; I219-V221 PolarHBondContact O-N 3.44Å; V221-L224 WeakPolarHBondContact O-CB 3.38Å; V221-L224 PolarHBondContact O-N 3.09Å; V221-F225 HydrophobicContact CG1-CD2 3.85Å; V221-F225 HydrophobicContact CG1-CE2 3.62Å; V221-F225 VanDerWaalsContact O-CD2 3.26Å; V221-F225 WeakPolarHBondContact O-CD2 3.48Å; V221-F225 PolarHBondContact O-N 2.81Å
222G97.2Very high91.3Very high37 Ų3763.4 Ų63.438%0.38133%0.326SS..Hα-helixtrans-60.9-44.3174.600000112.4Y218 I219 L220 L224 F225 Y226Y218-G222 PolarHBondContact O-N 2.86Å; I219-G222 CarbonylContact O-C 3.59Å; I219-G222 PolarHBondContact O-N 3.08Å; I219-G222 VanDerWaalsContact O-N 3.17Å; L220-G222 VanDerWaalsContact C-N 3.33Å; G222-L224 VanDerWaalsContact C-N 3.33Å; G222-L224 PolarHBondContact O-N 3.25Å; G222-F225 PolarHBondContact O-N 2.79Å; G222-Y226 VanDerWaalsContact O-CB 3.31Å; G222-Y226 WeakPolarHBondContact O-CB 3.49Å; G222-Y226 PolarHBondContact O-N 3.5Å
223Q96.9Very high89.3Confident21 Ų2167.1 Ų67.110%0.09835%0.35CS..Hα-helixtrans-62.3-39.3174-74.2-175-35.600112.1I166 N169 T175 I219 L220 F225 Y226 Y227I166-Q223 PolarHBondContact O-NE2 3.22Å; N169-Q223 VanDerWaalsContact CB-OE1 3.22Å; N169-Q223 PolarHBondContact ND2-OE1 3.12Å; T175-Q223 HydrophobicContact CG2-CB 4.24Å; I219-Q223 WeakPolarHBondContact O-CG 3.36Å; I219-Q223 PolarHBondContact O-N 2.78Å; L220-Q223 PolarHBondContact O-N 2.04Å; Q223-F225 VanDerWaalsContact C-N 3.35Å; Q223-F225 PolarHBondContact O-N 2.97Å; Q223-Y226 PolarHBondContact O-N 3.19Å; Q223-Y227 HydrophobicContact CB-CD2 4.11Å; Q223-Y227 HydrophobicContact CB-CE2 4.2Å; Q223-Y227 HydrophobicContact CG-CE2 4.23Å; Q223-Y227 WeakPolarHBondContact O-CB 3.41Å; Q223-Y227 WeakPolarHBondContact O-CD2 3.25Å; Q223-Y227 PolarHBondContact O-N 2.91Å
224L95.5Very high87.2Confident7 Ų770.1 Ų70.14%0.03737%0.37CS..Hα-helixtrans-58.9-45.8175.1178.976.8000111.5T175 A180 L183 F184 L220 V221 G222 W228T175-L224 HydrophobicContact CG2-CB 4.33Å; T175-L224 HydrophobicContact CG2-CD1 4.49Å; A180-L224 HydrophobicContact CB-CD1 4.39Å; A180-L224 HydrophobicContact CB-CD2 3.6Å; L183-L224 HydrophobicContact CD1-CB 4Å; L183-L224 HydrophobicContact CD1-CD1 4.36Å; L183-L224 HydrophobicContact CD1-CD2 4.11Å; L183-L224 HydrophobicContact CD1-CG 4.39Å; F184-L224 HydrophobicContact CE2-CD2 4.17Å; F184-L224 HydrophobicContact CZ-CD2 4.5Å; L220-L224 PolarHBondContact O-N 3.45Å; V221-L224 WeakPolarHBondContact O-CB 3.38Å; V221-L224 PolarHBondContact O-N 3.09Å; G222-L224 VanDerWaalsContact C-N 3.33Å; G222-L224 PolarHBondContact O-N 3.25Å; L224-W228 HydrophobicContact CD1-CE3 4.4Å; L224-W228 HydrophobicContact CD1-CZ3 4.36Å; L224-W228 HydrophobicContact CD2-CZ3 4.38Å; L224-W228 HydrophobicContact CG-CE3 4.18Å; L224-W228 HydrophobicContact CG-CZ3 4.24Å; L224-W228 WeakPolarHBondContact O-CA 3.44Å; L224-W228 PolarHBondContact O-N 3.38Å; L224-W228 VanDerWaalsContact O-N 3.11Å
225F95.6Very high84.6Confident123 Ų12375.5 Ų75.554%0.53940%0.403SS..Hα-helixtrans-69.3-41.8176.9-76.6-62.3000112.7F184 V221 G222 Q223 Y227 W228F184-F225 AromaticContact CE1-CE2 3.85Å; F184-F225 HydrophobicContact CE1-CE2 3.85Å; F184-F225 AromaticContact CE1-CZ 3.96Å; F184-F225 HydrophobicContact CE1-CZ 3.96Å; F184-F225 HydrophobicContact CZ-CE1 4.33Å; F184-F225 AromaticContact CZ-CE2 3.64Å; F184-F225 HydrophobicContact CZ-CE2 3.64Å; F184-F225 AromaticContact CZ-CZ 3.43Å; F184-F225 HydrophobicContact CZ-CZ 3.43Å; F184-F225 VanDerWaalsContact CZ-CZ 3.43Å; V221-F225 HydrophobicContact CG1-CD2 3.85Å; V221-F225 HydrophobicContact CG1-CE2 3.62Å; V221-F225 VanDerWaalsContact O-CD2 3.26Å; V221-F225 WeakPolarHBondContact O-CD2 3.48Å; V221-F225 PolarHBondContact O-N 2.81Å; G222-F225 PolarHBondContact O-N 2.79Å; Q223-F225 VanDerWaalsContact C-N 3.35Å; Q223-F225 PolarHBondContact O-N 2.97Å; F225-Y227 VanDerWaalsContact C-N 3.35Å; F225-Y227 PolarHBondContact O-N 3.4Å; F225-W228 WeakPolarHBondContact O-CB 3.41Å; F225-W228 PolarHBondContact O-N 2.71Å
226Y95.9Very high82Confident181 Ų18177.1 Ų77.171%0.7142%0.417SS*.Hα-helixtrans-63.7-40.3-179.6-176.2-98.9000112G222 Q223G222-Y226 VanDerWaalsContact O-CB 3.31Å; G222-Y226 WeakPolarHBondContact O-CB 3.49Å; G222-Y226 PolarHBondContact O-N 3.5Å; Q223-Y226 PolarHBondContact O-N 3.19Å
227Y94.3Very high79.2Confident27 Ų2782.2 Ų82.211%0.10645%0.448CS..THydrogen-bonded Turntrans-95.511.4179.6-59.7-59.3000114.2G173 T175 Q223 F225 N229 V230G173-Y227 VanDerWaalsContact C-CD1 3.45Å; G173-Y227 WeakPolarHBondContact O-CD1 3.45Å; T175-Y227 HydrophobicContact CG2-CD2 4.34Å; Q223-Y227 HydrophobicContact CB-CD2 4.11Å; Q223-Y227 HydrophobicContact CB-CE2 4.2Å; Q223-Y227 HydrophobicContact CG-CE2 4.23Å; Q223-Y227 WeakPolarHBondContact O-CB 3.41Å; Q223-Y227 WeakPolarHBondContact O-CD2 3.25Å; Q223-Y227 PolarHBondContact O-N 2.91Å; F225-Y227 VanDerWaalsContact C-N 3.35Å; F225-Y227 PolarHBondContact O-N 3.4Å; Y227-N229 PolarHBondContact O-N 3.47Å; Y227-N229 VanDerWaalsContact O-N 3.15Å; Y227-V230 HydrophobicContact CD1-CG2 4.16Å; Y227-V230 PolarHBondContact O-N 2.97Å
228W90.3Very high76.3Confident160 Ų16086.6 Ų86.661%0.60648%0.475SS*.THydrogen-bonded Turntrans-55.7-36.9-173.7-172.9-95.1000113.7A180 L224 F225A180-W228 HydrophobicContact CB-CZ3 4.43Å; L224-W228 HydrophobicContact CD1-CE3 4.4Å; L224-W228 HydrophobicContact CD1-CZ3 4.36Å; L224-W228 HydrophobicContact CD2-CZ3 4.38Å; L224-W228 HydrophobicContact CG-CE3 4.18Å; L224-W228 HydrophobicContact CG-CZ3 4.24Å; L224-W228 WeakPolarHBondContact O-CA 3.44Å; L224-W228 PolarHBondContact O-N 3.38Å; L224-W228 VanDerWaalsContact O-N 3.11Å; F225-W228 WeakPolarHBondContact O-CB 3.41Å; F225-W228 PolarHBondContact O-N 2.71Å
229N85.5Confident73.3Confident147 Ų14786.2 Ų86.279%0.78648%0.484SS*.THydrogen-bonded Turntrans-94-1.8-177.9-67-30.4000113.7Y227 S231Y227-N229 PolarHBondContact O-N 3.47Å; Y227-N229 VanDerWaalsContact O-N 3.15Å; N229-S231 PolarHBondContact O-N 3.41Å; N229-S231 VanDerWaalsContact O-N 3.16Å
230V79.3Confident70.5Confident72 Ų7288.8 Ų88.844%0.43650%0.504SS..SBendtrans-81.799.6176.2-173.50000107.4G173 Y227 S232G173-V230 WeakPolarHBondContact O-CG1 3.46Å; Y227-V230 HydrophobicContact CD1-CG2 4.16Å; Y227-V230 PolarHBondContact O-N 2.97Å; V230-S232 PolarHBondContact O-N 3.43Å
231S60.1Low67.7Low101 Ų10194.8 Ų94.871%0.70654%0.541SS*.  trans-53.8128.5173.6-59.50000108.7N229 V233N229-S231 PolarHBondContact O-N 3.41Å; N229-S231 VanDerWaalsContact O-N 3.16Å; S231-V233 PolarHBondContact O-N 3.12Å
232S58.4Low64.8Low59 Ų59103.7 Ų103.741%0.41358%0.579SS.*  trans-55.9116.2169.656.80000106.5V230 S234V230-S232 PolarHBondContact O-N 3.43Å; S232-S234 PolarHBondContact O-N 3.36Å
233V54.1Low62.4Low129 Ų129107.2 Ų107.278%0.78260%0.595SS**  trans-63.587.9172.2179.80000106.3S231 T235S231-V233 PolarHBondContact O-N 3.12Å; V233-T235 PolarHBondContact O-N 3.21Å; V233-T235 VanDerWaalsContact O-N 3.13Å
234S49.6Very low60.1Low87 Ų87111.8 Ų111.861%0.60863%0.626SS**  trans-63.1109.7157.7-62.70000103.7S232 T236S232-S234 PolarHBondContact O-N 3.36Å; S234-T236 PolarHBondContact O-N 3.38Å
235T42.5Very low57.7Low117 Ų117117.1 Ų117.172%0.71866%0.661SS**  trans-56.184.1172.6-52.60000109.1V233 T237V233-T235 PolarHBondContact O-N 3.21Å; V233-T235 VanDerWaalsContact O-N 3.13Å; T235-T237 VanDerWaalsContact C-N 3.34Å
236T41.2Very low55.3Low132 Ų132116.8 Ų116.881%0.8167%0.672SS**  trans-103.467.3163.8-52.10000105.9S234S234-T236 PolarHBondContact O-N 3.38Å
237T38.6Very low52.5Low112 Ų112113.4 Ų113.469%0.68767%0.672SS**  trans-140.1117174.4-50.30000105.9T235T235-T237 VanDerWaalsContact C-N 3.34Å
238T36.3Very low49.8Very low102 Ų102118.2 Ų118.263%0.62671%0.706SS**  cis-162.7145.9-11.4-49.40000104.5
239T35.3Very low47Very low102 Ų102119.6 Ų119.663%0.62672%0.719SS**  trans59.5102.3148.547.10000120.8T241T239-T241 PolarHBondContact O-N 3.21Å
240T38.4Very low44.4Very low134 Ų134121.3 Ų121.382%0.82272%0.723SS**  38.775.4117.258.40000117.1
241T38.6Very low42Very low129 Ų129127.2 Ų127.279%0.79175%0.746SS**  trans-117.8105.9143.653.70000107.4T239T239-T241 PolarHBondContact O-N 3.21Å
242K37.1Very low40.5Very low199 Ų199131.5 Ų131.587%0.86576%0.755SS**PPolyproline II helixtrans-46.5121.2176.2-167.6179.6-175-178.10108.7
243P46.7Very low39.1Very low110 Ų110137.9 Ų137.971%0.71478%0.778SS**PPolyproline II helixtrans-63.4141.4-178.422.8-30.5000110.2
244P48.7Very low37.9Very low117 Ų117140.8 Ų140.876%0.7678%0.783SS**PPolyproline II helixtrans-62.2151.8178.525.2-32.2000111
245P45.5Very low36.9Very low119 Ų119146.8 Ų146.877%0.77379%0.794SS**PPolyproline II helixtrans-60.8144.4-175.424.2-32.5000111.6
246P45.2Very low36.3Very low117 Ų117146.3 Ų146.376%0.7679%0.792SS**PPolyproline II helixtrans-66.5143.7-174.125.7-32.7000111.8
247P37.6Very low35.9Very low110 Ų110146.4 Ų146.471%0.71479%0.793SS**PPolyproline II helixtrans-66.8157.3176.922.1-25.3000111.9Q249P247-Q249 PolarHBondContact O-N 3.12Å
248P36.8Very low35.7Very low128 Ų128152.2 Ų152.283%0.83180%0.803SS**PPolyproline II helixtrans-56.6125.1-173.5-20.931000111.7Q250P248-Q250 PolarHBondContact O-N 3.48Å
249Q32.6Very low35.6Very low188 Ų188156.6 Ų156.688%0.87981%0.813SS**  trans-63.5106.8178.6-69.9179.2-24.800110P247 Q251P247-Q249 PolarHBondContact O-N 3.12Å; Q249-Q251 PolarHBondContact O-N 2.95Å
250Q29.9Very low35.6Very low184 Ų184157.8 Ų157.886%0.8682%0.819SS**  trans-66.4123.4162.1-75-178.5-25.200108P248 Q252P248-Q250 PolarHBondContact O-N 3.48Å; Q250-Q252 PolarHBondContact O-N 3.33Å
251Q28.5Very low35.5Very low196 Ų196160.4 Ų160.492%0.91682%0.82SS**  trans-53.2101.5179.3-69.9166.7-36.900110.2Q249Q249-Q251 PolarHBondContact O-N 2.95Å
252Q28.1Very low35.2Very low191 Ų191160.5 Ų160.589%0.89382%0.82SS**  trans-83.6118.2165.3-78.1-177.5-20.500108.1Q250 Q254Q250-Q252 PolarHBondContact O-N 3.33Å; Q252-Q254 PolarHBondContact O-N 3.47Å
253E30.1Very low35.5Very low192 Ų192161.8 Ų161.890%0.89784%0.836SS**  trans-48121.6177.5-80165.5100.500111.7Y255E253-Y255 PolarHBondContact O-N 2.94Å
254Q28.5Very low34.9Very low190 Ų190164.4 Ų164.489%0.88884%0.842SS**  trans-72.394.3-178.7-152176.3-19.700108.9Q252 P256Q252-Q254 PolarHBondContact O-N 3.47Å; Q254-P256 WeakPolarHBondContact O-CD 3.42Å
255Y27.8Very low34.2Very low214 Ų214166.9 Ų166.984%0.83985%0.847SS**  trans-64.7120.2171.7-168.8-97.8000109.2E253 T257E253-Y255 PolarHBondContact O-N 2.94Å; Y255-T257 PolarHBondContact O-N 3.41Å
256P31.5Very low33.6Very low106 Ų106169.6 Ų169.669%0.68885%0.851SS**  trans-71.1108.8-168.124.3-31.4000112Q254 R258Q254-P256 WeakPolarHBondContact O-CD 3.42Å; P256-R258 PolarHBondContact O-N 2.78Å
257T33.1Very low32.9Very low135 Ų135172.6 Ų172.683%0.82886%0.856SS**  trans-59.210516419.80000110.4Y255 K259Y255-T257 PolarHBondContact O-N 3.41Å; T257-K259 PolarHBondContact O-N 3.37Å
258R33Very low32.6Very low234 Ų234176.6 Ų176.688%0.88387%0.865SS**  trans-63.6104.1170.1-168.6-175.4-76.5-167.2-2.9108.8P256 V260P256-R258 PolarHBondContact O-N 2.78Å; R258-V260 PolarHBondContact O-N 3.21Å
259K33.8Very low32.3Very low194 Ų194179.8 Ų179.884%0.84387%0.867SS**  trans-65111.8170-70.9-162179.9-171.30109T257 K261T257-K259 PolarHBondContact O-N 3.37Å; K259-K261 PolarHBondContact O-N 3.22Å
260V36.4Very low32.3Very low126 Ų126179.2 Ų179.276%0.76487%0.866SS**  trans-73.4103.6166.3179.50000106.9R258 V262R258-V260 PolarHBondContact O-N 3.21Å; V260-V262 PolarHBondContact O-N 3.01Å
261K35.1Very low32.5Very low190 Ų190178.8 Ų178.883%0.82687%0.867SS**  trans-72.4119.5167.7-88.9-173.8175.3-175.50108K259 N263K259-K261 PolarHBondContact O-N 3.22Å; K261-N263 PolarHBondContact O-N 3.02Å
262V33.5Very low32.8Very low131 Ų131177.4 Ų177.479%0.79486%0.863SS**  trans-79.5107.7165.9-177.60000106.4V260V260-V262 PolarHBondContact O-N 3.01Å
263N42.7Very low33.2Very low226 Ų226176.2 Ų176.2100%1.20986%0.86SS**  trans-120.10152-85.74.4000106.4K261K261-N263 PolarHBondContact O-N 3.02Å

Retrieved 263 of 263 residues in 383.8 ms (Link to these results)

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