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GPI ethanolamine phosphate transferase 1

Ethanolamine phosphate transferase involved in glycosylphosphatidylinositol-anchor biosynthesis. Transfers ethanolamine phosphate to the first alpha-1,4-linked mannose of the glycosylphosphatidylinositol precursor of GPI-anchor.

AlphaFold DB , UniProt , Accession A0A087XT44, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 933 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
1M50.3Low75.9Confident130 Ų13083.5 Ų83.564%0.6442%0.415SS*.  0144.10-152.2156.276.800108.6T5 F6 M9M1-T5 HydrophobicContact CG-CG2 3.98Å; M1-T5 HydrophobicContact SD-CG2 4.28Å; M1-F6 HydrophobicContact CE-CB 3.55Å; M1-F6 HydrophobicContact CE-CD2 3.78Å; M1-F6 HydrophobicContact CE-CG 4.14Å; M1-M9 HydrophobicContact CE-SD 3.56Å; M1-M9 VanDerWaalsContact CE-SD 3.56Å; M1-M9 HydrophobicContact SD-CE 4.39Å; M1-M9 HydrophobicContact SD-SD 3.67Å; M1-M9 VanDerWaalsContact SD-SD 3.67Å
2K64.1Low77Confident173 Ų17383.9 Ų83.975%0.75243%0.425SS*.  trans-66.1140.3173.3-71.8-177.3-179.8178.30108.4I4 T5 F6K2-I4 VanDerWaalsContact C-N 3.31Å; K2-I4 PolarHBondContact O-N 3.13Å; K2-T5 WeakPolarHBondContact O-CA 3.48Å; K2-T5 VanDerWaalsContact O-CB 3.23Å; K2-T5 WeakPolarHBondContact O-CB 3.47Å; K2-T5 PolarHBondContact O-N 3.4Å; K2-F6 PolarHBondContact O-N 3.27Å
3M66.2Low78.1Confident80 Ų8078.1 Ų78.139%0.39440%0.396SS..Hα-helixtrans-57.7-41.6-171.1-168.4-167.3-26.200113.2T5 F6 F7 R860M3-T5 PolarHBondContact O-N 2.9Å; M3-F6 WeakPolarHBondContact O-CB 3.31Å; M3-F6 PolarHBondContact O-N 3Å; M3-F6 VanDerWaalsContact O-N 3.11Å; M3-F7 HydrophobicContact CG-CD2 3.84Å; M3-F7 HydrophobicContact CG-CE2 3.5Å; M3-F7 WeakPolarHBondContact O-CD2 3.34Å; M3-F7 PolarHBondContact O-N 3.4Å; M3-F7 HydrophobicContact SD-CE2 3.78Å; M3-R860 VanDerWaalsContact CE-NE 3.25Å; M3-R860 HydrophobicContact SD-CG 4.43Å; M3-R860 PolarHBondContact SD-NE 3.44Å; M3-R860 VanDerWaalsContact SD-NE 3.4Å
4I72.4Confident79Confident126 Ų12672.9 Ų72.965%0.64637%0.37SS*.Hα-helixtrans-58.8-39.9176.3-63.5170.2000110.5K2 F6 F7 L8K2-I4 VanDerWaalsContact C-N 3.31Å; K2-I4 PolarHBondContact O-N 3.13Å; I4-F6 PolarHBondContact O-N 3.49Å; I4-F7 PolarHBondContact O-N 3.34Å; I4-L8 HydrophobicContact CG2-CD1 3.86Å; I4-L8 HydrophobicContact CG2-CG 4.27Å; I4-L8 WeakPolarHBondContact O-CB 3.37Å; I4-L8 VanDerWaalsContact O-CG 3.3Å; I4-L8 WeakPolarHBondContact O-CG 3.33Å; I4-L8 PolarHBondContact O-N 3.04Å
5T78.6Confident79.7Confident54 Ų5472.4 Ų72.433%0.33137%0.371SS..Hα-helixtrans-64.7-38.7177.1-47.40000112.1M1 K2 M3 M9M1-T5 HydrophobicContact CG-CG2 3.98Å; M1-T5 HydrophobicContact SD-CG2 4.28Å; K2-T5 WeakPolarHBondContact O-CA 3.48Å; K2-T5 VanDerWaalsContact O-CB 3.23Å; K2-T5 WeakPolarHBondContact O-CB 3.47Å; K2-T5 PolarHBondContact O-N 3.4Å; M3-T5 PolarHBondContact O-N 2.9Å; T5-M9 HydrophobicContact CG2-CE 3.84Å; T5-M9 HydrophobicContact CG2-SD 4Å; T5-M9 WeakPolarHBondContact O-CB 3.19Å; T5-M9 VanDerWaalsContact O-CG 3.25Å; T5-M9 WeakPolarHBondContact O-CG 3.45Å; T5-M9 PolarHBondContact O-N 3.19Å
6F81.1Confident80.5Confident27 Ų2768.8 Ų68.812%0.11835%0.354CS..Hα-helixtrans-64.2-43.9175.3180-89.1000111.7M1 K2 M3 I4 M9 G10 W457 Y460 V461 L864M1-F6 HydrophobicContact CE-CB 3.55Å; M1-F6 HydrophobicContact CE-CD2 3.78Å; M1-F6 HydrophobicContact CE-CG 4.14Å; K2-F6 PolarHBondContact O-N 3.27Å; M3-F6 WeakPolarHBondContact O-CB 3.31Å; M3-F6 PolarHBondContact O-N 3Å; M3-F6 VanDerWaalsContact O-N 3.11Å; I4-F6 PolarHBondContact O-N 3.49Å; F6-M9 PolarHBondContact O-N 3.07Å; F6-G10 PolarHBondContact O-N 3.28Å; F6-W457 HydrophobicContact CE2-CH2 4.26Å; F6-W457 HydrophobicContact CZ-CH2 4.22Å; F6-W457 HydrophobicContact CZ-CZ2 4.31Å; F6-Y460 HydrophobicContact CD2-CE1 4.12Å; F6-Y460 HydrophobicContact CE2-CD1 4.36Å; F6-Y460 AromaticContact CE2-CE1 3.72Å; F6-Y460 HydrophobicContact CE2-CE1 3.72Å; F6-V461 HydrophobicContact CZ-CG2 4.25Å; F6-L864 HydrophobicContact CE1-CD2 3.48Å; F6-L864 VanDerWaalsContact CE1-CD2 3.48Å; F6-L864 HydrophobicContact CZ-CD2 3.59Å
7F78.3Confident81.2Confident61 Ų6164.8 Ų64.827%0.26833%0.333SS..Hα-helixtrans-65.3-44.9177.3-77.1-63.5000112.7M3 I4 M9 G10 L11 F863 M908M3-F7 HydrophobicContact CG-CD2 3.84Å; M3-F7 HydrophobicContact CG-CE2 3.5Å; M3-F7 WeakPolarHBondContact O-CD2 3.34Å; M3-F7 PolarHBondContact O-N 3.4Å; M3-F7 HydrophobicContact SD-CE2 3.78Å; I4-F7 PolarHBondContact O-N 3.34Å; F7-M9 PolarHBondContact O-N 3.31Å; F7-G10 PolarHBondContact O-N 3.34Å; F7-L11 WeakPolarHBondContact O-CB 3.36Å; F7-L11 PolarHBondContact O-N 3.11Å; F7-F863 HydrophobicContact CE1-CD1 4.18Å; F7-F863 HydrophobicContact CE1-CE1 4.02Å; F7-M908 HydrophobicContact CD1-SD 3.39Å; F7-M908 WeakPolarHBondContact CD1-SD 3.16Å; F7-M908 HydrophobicContact CE1-CG 4.44Å; F7-M908 HydrophobicContact CE1-SD 3.77Å; F7-M908 HydrophobicContact CG-SD 4.14Å
8L83.4Confident81.6Confident103 Ų10364.6 Ų64.654%0.53933%0.329SS..Hα-helixtrans-62.1-43.8177.1-70.6173.3000111.4I4 L11 T12I4-L8 HydrophobicContact CG2-CD1 3.86Å; I4-L8 HydrophobicContact CG2-CG 4.27Å; I4-L8 WeakPolarHBondContact O-CB 3.37Å; I4-L8 VanDerWaalsContact O-CG 3.3Å; I4-L8 WeakPolarHBondContact O-CG 3.33Å; I4-L8 PolarHBondContact O-N 3.04Å; L8-L11 PolarHBondContact O-N 2.89Å; L8-T12 PolarHBondContact O-N 2.88Å; L8-T12 PolarHBondContact O-OG1 2.94Å
9M85.8Confident81.9Confident94 Ų9465.6 Ų65.646%0.46334%0.335SS..Hα-helixtrans-63.2-44.3175.6-75.1172.6169.600112.1M1 T5 F6 F7 T12 V13M1-M9 HydrophobicContact CE-SD 3.56Å; M1-M9 VanDerWaalsContact CE-SD 3.56Å; M1-M9 HydrophobicContact SD-CE 4.39Å; M1-M9 HydrophobicContact SD-SD 3.67Å; M1-M9 VanDerWaalsContact SD-SD 3.67Å; T5-M9 HydrophobicContact CG2-CE 3.84Å; T5-M9 HydrophobicContact CG2-SD 4Å; T5-M9 WeakPolarHBondContact O-CB 3.19Å; T5-M9 VanDerWaalsContact O-CG 3.25Å; T5-M9 WeakPolarHBondContact O-CG 3.45Å; T5-M9 PolarHBondContact O-N 3.19Å; F6-M9 PolarHBondContact O-N 3.07Å; F7-M9 PolarHBondContact O-N 3.31Å; M9-T12 PolarHBondContact O-N 3.07Å; M9-V13 VanDerWaalsContact O-CG2 3.26Å; M9-V13 WeakPolarHBondContact O-CG2 3.19Å; M9-V13 PolarHBondContact O-N 3.48Å
10G87Confident82.4Confident7 Ų762.3 Ų62.37%0.07232%0.318CS..Hα-helixtrans-59.5-47.1175.300000111.7F6 F7 T12 V13 H14 W457F6-G10 PolarHBondContact O-N 3.28Å; F7-G10 PolarHBondContact O-N 3.34Å; G10-T12 VanDerWaalsContact C-N 3.34Å; G10-T12 PolarHBondContact O-N 3.43Å; G10-V13 PolarHBondContact O-N 2.95Å; G10-H14 PolarHBondContact O-N 3.37Å; G10-H14 PolarHBondContact O-ND1 2.84Å; G10-W457 VanDerWaalsContact CA-CZ2 3.46Å
11L87.5Confident82.7Confident64 Ų6459.3 Ų59.334%0.33530%0.303SS..Hα-helixtrans-57.4-46.8175.8-17864.1000111.5F7 L8 V13 H14 V15 I905F7-L11 WeakPolarHBondContact O-CB 3.36Å; F7-L11 PolarHBondContact O-N 3.11Å; L8-L11 PolarHBondContact O-N 2.89Å; L11-V13 PolarHBondContact O-N 3.12Å; L11-H14 PolarHBondContact O-N 3.31Å; L11-V15 HydrophobicContact CD1-CG2 4.45Å; L11-V15 WeakPolarHBondContact O-CG2 3.47Å; L11-V15 PolarHBondContact O-N 3.19Å; L11-I905 HydrophobicContact CD1-CD1 3.55Å; L11-I905 HydrophobicContact CD1-CG1 3.75Å; L11-I905 HydrophobicContact CD1-CG2 3.96Å
12T89Confident84.4Confident88 Ų8855.2 Ų55.254%0.5428%0.282SS..Hα-helixtrans-58.8-46.1177-57.40000111.9L8 M9 G10 H14 V15 V16L8-T12 PolarHBondContact O-N 2.88Å; L8-T12 PolarHBondContact O-OG1 2.94Å; M9-T12 PolarHBondContact O-N 3.07Å; G10-T12 VanDerWaalsContact C-N 3.34Å; G10-T12 PolarHBondContact O-N 3.43Å; T12-H14 VanDerWaalsContact C-N 3.33Å; T12-H14 PolarHBondContact O-N 3.49Å; T12-V15 PolarHBondContact O-N 3.46Å; T12-V16 WeakPolarHBondContact O-CG2 3.31Å; T12-V16 PolarHBondContact O-N 2.94Å; T12-V16 VanDerWaalsContact O-N 3.08Å
13V91.4Very high85.3Confident8 Ų849.6 Ų49.65%0.04826%0.26CS..Hα-helixtrans-58.3-45.1177.6169.10000111.1M9 G10 L11 V16 F17 W457 L517 V521M9-V13 VanDerWaalsContact O-CG2 3.26Å; M9-V13 WeakPolarHBondContact O-CG2 3.19Å; M9-V13 PolarHBondContact O-N 3.48Å; G10-V13 PolarHBondContact O-N 2.95Å; L11-V13 PolarHBondContact O-N 3.12Å; V13-V16 WeakPolarHBondContact O-CB 3.34Å; V13-V16 PolarHBondContact O-N 2.97Å; V13-F17 HydrophobicContact CG1-CD2 3.98Å; V13-F17 HydrophobicContact CG1-CE1 4.14Å; V13-F17 HydrophobicContact CG1-CE2 3.31Å; V13-F17 HydrophobicContact CG1-CZ 3.38Å; V13-F17 WeakPolarHBondContact O-CG 3.49Å; V13-F17 PolarHBondContact O-N 3.34Å; V13-W457 HydrophobicContact CB-CD2 4.44Å; V13-W457 HydrophobicContact CB-CE3 4.32Å; V13-W457 HydrophobicContact CG1-CB 4.22Å; V13-W457 HydrophobicContact CG1-CD2 3.95Å; V13-W457 HydrophobicContact CG1-CE3 4.17Å; V13-W457 HydrophobicContact CG1-CG 3.94Å; V13-W457 HydrophobicContact CG2-CD2 4.45Å; V13-W457 HydrophobicContact CG2-CE3 3.86Å; V13-W457 HydrophobicContact CG2-CZ3 4.06Å; V13-L517 HydrophobicContact CG1-CD2 4.46Å; V13-L517 HydrophobicContact CG2-CD1 4.06Å; V13-V521 HydrophobicContact CG2-CG2 4.35Å
14H90.7Very high86.4Confident6 Ų646 Ų463%0.02824%0.242CC..Hα-helixtrans-71.4-33-179.1-70.771.3000112.9G10 L11 T12 V16 F17 F18 W457 L867 D871 M901G10-H14 PolarHBondContact O-N 3.37Å; G10-H14 PolarHBondContact O-ND1 2.84Å; L11-H14 PolarHBondContact O-N 3.31Å; T12-H14 VanDerWaalsContact C-N 3.33Å; T12-H14 PolarHBondContact O-N 3.49Å; H14-V16 VanDerWaalsContact C-N 3.29Å; H14-V16 PolarHBondContact O-N 3Å; H14-F17 PolarHBondContact O-N 3.11Å; H14-F18 VanDerWaalsContact O-CB 3.22Å; H14-F18 WeakPolarHBondContact O-CB 3.4Å; H14-F18 PolarHBondContact O-N 2.91Å; H14-W457 AromaticContact CE1-CE2 3.91Å; H14-W457 AromaticContact CE1-NE1 3.36Å; H14-W457 PolarHBondContact CE1-NE1 3.15Å; H14-L867 WeakPolarHBondContact NE2-CD1 3.08Å; H14-D871 IonicContact CD2-OD1 3.18Å; H14-D871 IonicContact CE1-OD1 3.99Å; H14-D871 IonicContact NE2-OD1 2.9Å; H14-D871 PolarHBondContact NE2-OD1 3.1Å; H14-M901 HydrophobicContact CB-CE 3.88Å; H14-M901 WeakPolarHBondContact O-CE 3.25Å
15V89.6Confident87Confident65 Ų6541.3 Ų41.339%0.39422%0.217SC..Hα-helixtrans-62.4-40.1171.4169.60000110.3L11 T12 F18 L19L11-V15 HydrophobicContact CD1-CG2 4.45Å; L11-V15 WeakPolarHBondContact O-CG2 3.47Å; L11-V15 PolarHBondContact O-N 3.19Å; T12-V15 PolarHBondContact O-N 3.46Å; V15-F18 WeakPolarHBondContact O-CB 3.43Å; V15-F18 PolarHBondContact O-N 3.48Å; V15-L19 HydrophobicContact CG1-CD1 3.97Å; V15-L19 HydrophobicContact CG1-CG 4.44Å; V15-L19 VanDerWaalsContact O-CG 3.3Å; V15-L19 WeakPolarHBondContact O-CG 3.44Å; V15-L19 PolarHBondContact O-N 2.88Å
16V92Very high87Confident15 Ų1539.3 Ų39.39%0.09120%0.203CC..Hα-helixtrans-65-46.4175.4176.80000111.3T12 V13 H14 F18 L19 S20 I513 Y514 L517T12-V16 WeakPolarHBondContact O-CG2 3.31Å; T12-V16 PolarHBondContact O-N 2.94Å; T12-V16 VanDerWaalsContact O-N 3.08Å; V13-V16 WeakPolarHBondContact O-CB 3.34Å; V13-V16 PolarHBondContact O-N 2.97Å; H14-V16 VanDerWaalsContact C-N 3.29Å; H14-V16 PolarHBondContact O-N 3Å; V16-F18 VanDerWaalsContact C-N 3.29Å; V16-F18 PolarHBondContact O-N 3.09Å; V16-L19 PolarHBondContact O-N 3.46Å; V16-S20 WeakPolarHBondContact O-CB 3.37Å; V16-S20 PolarHBondContact O-N 3.1Å; V16-I513 HydrophobicContact CB-CG2 4.4Å; V16-I513 HydrophobicContact CG1-CG2 3.77Å; V16-I513 HydrophobicContact CG2-CG2 3.67Å; V16-Y514 HydrophobicContact CG1-CD1 3.59Å; V16-Y514 HydrophobicContact CG1-CE1 3.87Å; V16-L517 HydrophobicContact CB-CD2 3.9Å; V16-L517 HydrophobicContact CG1-CD2 3.64Å
17F92.2Very high86.7Confident1 Ų140.1 Ų40.10%0.00421%0.211CC..Hα-helixtrans-59.8-41.2175.1-64.9-22000112.1V13 H14 S20 V450 G453 F454 W457 L517 Y897 M901V13-F17 HydrophobicContact CG1-CD2 3.98Å; V13-F17 HydrophobicContact CG1-CE1 4.14Å; V13-F17 HydrophobicContact CG1-CE2 3.31Å; V13-F17 HydrophobicContact CG1-CZ 3.38Å; V13-F17 WeakPolarHBondContact O-CG 3.49Å; V13-F17 PolarHBondContact O-N 3.34Å; H14-F17 PolarHBondContact O-N 3.11Å; F17-S20 PolarHBondContact O-N 2.99Å; F17-S20 PolarHBondContact O-OG 3.44Å; F17-V450 HydrophobicContact CD1-CG1 4.2Å; F17-G453 VanDerWaalsContact CZ-C 3.4Å; F17-F454 HydrophobicContact CB-CE1 4.32Å; F17-F454 HydrophobicContact CB-CE2 3.82Å; F17-F454 HydrophobicContact CB-CZ 3.58Å; F17-F454 HydrophobicContact CD1-CD2 4.01Å; F17-F454 AromaticContact CD1-CE2 3.87Å; F17-F454 HydrophobicContact CD1-CE2 3.87Å; F17-F454 HydrophobicContact CD1-CZ 4.28Å; F17-F454 AromaticContact CD2-CD1 3.77Å; F17-F454 HydrophobicContact CD2-CD1 3.77Å; F17-F454 HydrophobicContact CD2-CD2 4.23Å; F17-F454 AromaticContact CD2-CE1 3.43Å; F17-F454 HydrophobicContact CD2-CE1 3.43Å; F17-F454 VanDerWaalsContact CD2-CE1 3.43Å; F17-F454 AromaticContact CD2-CE2 3.94Å; F17-F454 HydrophobicContact CD2-CE2 3.94Å; F17-F454 HydrophobicContact CD2-CG 4.16Å; F17-F454 AromaticContact CD2-CZ 3.54Å; F17-F454 HydrophobicContact CD2-CZ 3.54Å; F17-F454 HydrophobicContact CE1-CD2 4.12Å; F17-F454 HydrophobicContact CE1-CE2 4.43Å; F17-F454 HydrophobicContact CE1-CG 4.34Å; F17-F454 AromaticContact CE2-CD1 3.67Å; F17-F454 HydrophobicContact CE2-CD1 3.67Å; F17-F454 HydrophobicContact CE2-CD2 4.32Å; F17-F454 AromaticContact CE2-CE1 3.86Å; F17-F454 HydrophobicContact CE2-CE1 3.86Å; F17-F454 HydrophobicContact CE2-CE2 4.48Å; F17-F454 AromaticContact CE2-CG 3.93Å; F17-F454 HydrophobicContact CE2-CG 3.93Å; F17-F454 HydrophobicContact CE2-CZ 4.27Å; F17-F454 HydrophobicContact CG-CD1 4.41Å; F17-F454 HydrophobicContact CG-CD2 4.09Å; F17-F454 AromaticContact CG-CE1 3.97Å; F17-F454 HydrophobicContact CG-CE1 3.97Å; F17-F454 AromaticContact CG-CE2 3.61Å; F17-F454 HydrophobicContact CG-CE2 3.61Å; F17-F454 HydrophobicContact CG-CG 4.47Å; F17-F454 AromaticContact CG-CZ 3.55Å; F17-F454 HydrophobicContact CG-CZ 3.55Å; F17-F454 HydrophobicContact CZ-CB 4.41Å; F17-F454 HydrophobicContact CZ-CD1 4.27Å; F17-F454 HydrophobicContact CZ-CD2 4.29Å; F17-F454 HydrophobicContact CZ-CG 4.05Å; F17-W457 HydrophobicContact CE2-CB 4.41Å; F17-W457 HydrophobicContact CZ-CB 4.31Å; F17-L517 HydrophobicContact CD1-CD2 4.2Å; F17-L517 HydrophobicContact CE1-CD2 3.69Å; F17-L517 HydrophobicContact CZ-CD2 4.39Å; F17-Y897 VanDerWaalsContact C-OH 3.28Å; F17-Y897 PolarHBondContact O-OH 2.7Å; F17-M901 HydrophobicContact CB-CE 3.62Å; F17-M901 HydrophobicContact CD2-CE 4.48Å
18F89.3Confident86.5Confident60 Ų6040 Ų4026%0.26322%0.217SC..Hα-helixtrans-60-49.7176.7176.8-90.1000111.6H14 V15 V16 S20 I21 F22 V898 M901H14-F18 VanDerWaalsContact O-CB 3.22Å; H14-F18 WeakPolarHBondContact O-CB 3.4Å; H14-F18 PolarHBondContact O-N 2.91Å; V15-F18 WeakPolarHBondContact O-CB 3.43Å; V15-F18 PolarHBondContact O-N 3.48Å; V16-F18 VanDerWaalsContact C-N 3.29Å; V16-F18 PolarHBondContact O-N 3.09Å; F18-S20 VanDerWaalsContact C-N 3.27Å; F18-S20 PolarHBondContact O-N 3.2Å; F18-I21 WeakPolarHBondContact O-CG1 3.31Å; F18-F22 HydrophobicContact CD1-CE2 4.47Å; F18-F22 AromaticContact CE1-CE2 3.92Å; F18-F22 HydrophobicContact CE1-CE2 3.92Å; F18-F22 HydrophobicContact CZ-CE2 4.19Å; F18-V898 HydrophobicContact CE2-CB 4.18Å; F18-V898 HydrophobicContact CE2-CG1 3.98Å; F18-V898 HydrophobicContact CE2-CG2 3.7Å; F18-V898 HydrophobicContact CZ-CG2 4.2Å; F18-M901 HydrophobicContact CB-CE 4.31Å; F18-M901 HydrophobicContact CD2-CB 4.22Å
19L87.9Confident86Confident84 Ų8437.3 Ų37.344%0.4421%0.206SC..Hα-helixtrans-68.2-27.8-179-68173.4000112.7V15 V16 I21 F22V15-L19 HydrophobicContact CG1-CD1 3.97Å; V15-L19 HydrophobicContact CG1-CG 4.44Å; V15-L19 VanDerWaalsContact O-CG 3.3Å; V15-L19 WeakPolarHBondContact O-CG 3.44Å; V15-L19 PolarHBondContact O-N 2.88Å; V16-L19 PolarHBondContact O-N 3.46Å; L19-I21 VanDerWaalsContact C-N 3.29Å; L19-I21 PolarHBondContact O-N 3.15Å; L19-F22 PolarHBondContact O-N 3.49Å; L19-F22 VanDerWaalsContact O-N 3.13Å
20S90.9Very high85.9Confident0 Ų033.6 Ų33.60%019%0.188CC..Hα-helixtrans-60.1-32.7-173.572.40000114.7V16 F17 F18 F22 D23 I24V16-S20 WeakPolarHBondContact O-CB 3.37Å; V16-S20 PolarHBondContact O-N 3.1Å; F17-S20 PolarHBondContact O-N 2.99Å; F17-S20 PolarHBondContact O-OG 3.44Å; F18-S20 VanDerWaalsContact C-N 3.27Å; F18-S20 PolarHBondContact O-N 3.2Å; S20-F22 VanDerWaalsContact C-N 3.25Å; S20-F22 PolarHBondContact O-N 2.84Å; S20-D23 PolarHBondContact O-N 2.69Å; S20-I24 VanDerWaalsContact O-CB 3.27Å; S20-I24 WeakPolarHBondContact O-CB 3.36Å; S20-I24 WeakPolarHBondContact O-CD1 3.44Å; S20-I24 WeakPolarHBondContact O-CG1 3.46Å; S20-I24 PolarHBondContact O-N 3.34Å
21I89.2Confident85.8Confident0 Ų033.3 Ų33.30%019%0.185CC..Hα-helixtrans-65.3-32.118059.3152.5000112F18 L19 I24 Y25 F878 V881 I894 Y897F18-I21 WeakPolarHBondContact O-CG1 3.31Å; L19-I21 VanDerWaalsContact C-N 3.29Å; L19-I21 PolarHBondContact O-N 3.15Å; I21-I24 PolarHBondContact O-N 2.82Å; I21-Y25 HydrophobicContact CB-CD2 4.2Å; I21-Y25 HydrophobicContact CG2-CD2 4.4Å; I21-Y25 WeakPolarHBondContact O-CB 3.4Å; I21-Y25 PolarHBondContact O-N 3.03Å; I21-F878 HydrophobicContact CG2-CD2 3.64Å; I21-F878 HydrophobicContact CG2-CE2 3.99Å; I21-V881 HydrophobicContact CG2-CG2 4.04Å; I21-I894 HydrophobicContact CD1-CG2 4.21Å; I21-Y897 HydrophobicContact CB-CD1 4.42Å; I21-Y897 HydrophobicContact CB-CE1 4.24Å; I21-Y897 HydrophobicContact CD1-CD1 3.49Å; I21-Y897 VanDerWaalsContact CD1-CD1 3.49Å; I21-Y897 HydrophobicContact CD1-CE1 4.01Å; I21-Y897 HydrophobicContact CD1-CG 4.36Å; I21-Y897 HydrophobicContact CG1-CD1 3.87Å; I21-Y897 HydrophobicContact CG1-CE1 3.83Å; I21-Y897 HydrophobicContact CG2-CD1 3.74Å; I21-Y897 HydrophobicContact CG2-CE1 3.38Å; I21-Y897 HydrophobicContact CG2-CE2 4.36Å; I21-Y897 HydrophobicContact CG2-CG 4.31Å
22F85.1Confident85.8Confident43 Ų4335.5 Ų35.519%0.18919%0.193CC..Hα-helixtrans-68.4-43.6179.9-63.5-73.6000111F18 L19 S20 F26 I894F18-F22 HydrophobicContact CD1-CE2 4.47Å; F18-F22 AromaticContact CE1-CE2 3.92Å; F18-F22 HydrophobicContact CE1-CE2 3.92Å; F18-F22 HydrophobicContact CZ-CE2 4.19Å; L19-F22 PolarHBondContact O-N 3.49Å; L19-F22 VanDerWaalsContact O-N 3.13Å; S20-F22 VanDerWaalsContact C-N 3.25Å; S20-F22 PolarHBondContact O-N 2.84Å; F22-F26 HydrophobicContact CD1-CD2 4.14Å; F22-F26 CarbonylContact O-C 3.25Å; F22-F26 VanDerWaalsContact O-CA 3.27Å; F22-F26 WeakPolarHBondContact O-CA 3.45Å; F22-F26 WeakPolarHBondContact O-CB 3.2Å; F22-F26 PolarHBondContact O-N 3.3Å; F22-I894 HydrophobicContact CE1-CG2 4.46Å; F22-I894 HydrophobicContact CZ-CG2 4.4Å
23D83.9Confident85.6Confident55 Ų5534.5 Ų34.529%0.29420%0.201SC..Hα-helixtrans-76.2-24.3178.3-71.5-15.1000113.7S20 T510 Y514S20-D23 PolarHBondContact O-N 2.69Å; D23-T510 WeakPolarHBondContact OD2-CB 3.41Å; D23-T510 VanDerWaalsContact OD2-CG2 3.27Å; D23-T510 WeakPolarHBondContact OD2-CG2 3.41Å; D23-T510 PolarHBondContact OD2-OG1 3.44Å; D23-Y514 HydrophobicContact CB-CE2 3.77Å; D23-Y514 WeakPolarHBondContact OD2-CE2 3.34Å; D23-Y514 PolarHBondContact OD2-OH 3.1Å
24I88.4Confident85.6Confident5 Ų535.1 Ų35.13%0.02620%0.203CC..Hα-helixtrans-90.1-38.2-175.9-68175000112.3S20 I21 R443 L446 V450 F878S20-I24 VanDerWaalsContact O-CB 3.27Å; S20-I24 WeakPolarHBondContact O-CB 3.36Å; S20-I24 WeakPolarHBondContact O-CD1 3.44Å; S20-I24 WeakPolarHBondContact O-CG1 3.46Å; S20-I24 PolarHBondContact O-N 3.34Å; I21-I24 PolarHBondContact O-N 2.82Å; I24-R443 HydrophobicContact CG2-CB 4.43Å; I24-R443 HydrophobicContact CG2-CG 3.74Å; I24-R443 PolarHBondContact O-NE 3.45Å; I24-R443 VanDerWaalsContact O-NE 3.11Å; I24-L446 HydrophobicContact CD1-CB 3.79Å; I24-L446 HydrophobicContact CG1-CB 3.65Å; I24-L446 HydrophobicContact CG1-CD1 3.92Å; I24-L446 HydrophobicContact CG1-CG 4.49Å; I24-V450 HydrophobicContact CD1-CB 4.47Å; I24-V450 HydrophobicContact CD1-CG2 3.79Å; I24-F878 HydrophobicContact CD1-CE2 4.04Å; I24-F878 HydrophobicContact CD1-CZ 3.85Å
25Y84.8Confident85.4Confident27 Ų2739.2 Ų39.211%0.10623%0.229CC..Hα-helixtrans-108.4-28.8-175-67-85.6000113.2I21 R443 F878 V881 D883I21-Y25 HydrophobicContact CB-CD2 4.2Å; I21-Y25 HydrophobicContact CG2-CD2 4.4Å; I21-Y25 WeakPolarHBondContact O-CB 3.4Å; I21-Y25 PolarHBondContact O-N 3.03Å; Y25-R443 PolarHBondContact O-NH2 3.22Å; Y25-F878 HydrophobicContact CE2-CE2 4.15Å; Y25-F878 HydrophobicContact CE2-CZ 4.27Å; Y25-F878 PolarHBondContact OH-O 3.39Å; Y25-V881 HydrophobicContact CD1-CB 4.3Å; Y25-V881 HydrophobicContact CD1-CG1 4.1Å; Y25-V881 HydrophobicContact CD2-CB 4.07Å; Y25-V881 HydrophobicContact CD2-CG1 3.91Å; Y25-V881 HydrophobicContact CE1-CB 4.29Å; Y25-V881 HydrophobicContact CE2-CB 4.03Å; Y25-V881 HydrophobicContact CE2-CG1 4.39Å; Y25-V881 HydrophobicContact CE2-CG2 4.45Å; Y25-V881 HydrophobicContact CG-CB 4.2Å; Y25-V881 HydrophobicContact CG-CG1 3.74Å; Y25-D883 HydrophobicContact CD1-CB 4.47Å
26F79.6Confident85.5Confident12 Ų1238.8 Ų38.85%0.05323%0.227CC..  trans-11968.6-169.5-59.3-67000111.8F22 D110 V111 V881 D883 I890 I894F22-F26 HydrophobicContact CD1-CD2 4.14Å; F22-F26 CarbonylContact O-C 3.25Å; F22-F26 VanDerWaalsContact O-CA 3.27Å; F22-F26 WeakPolarHBondContact O-CA 3.45Å; F22-F26 WeakPolarHBondContact O-CB 3.2Å; F22-F26 PolarHBondContact O-N 3.3Å; F26-D110 VanDerWaalsContact C-OD2 3.26Å; F26-D110 WeakPolarHBondContact CA-OD2 3.36Å; F26-V111 HydrophobicContact CD1-CG2 4.02Å; F26-V111 HydrophobicContact CE1-CG2 3.96Å; F26-V881 HydrophobicContact CE2-CG1 3.73Å; F26-V881 HydrophobicContact CZ-CG1 3.82Å; F26-D883 HydrophobicContact CE1-CB 4.31Å; F26-I890 HydrophobicContact CE1-CG2 3.41Å; F26-I890 VanDerWaalsContact CE1-CG2 3.41Å; F26-I890 HydrophobicContact CZ-CG2 3.78Å; F26-I894 HydrophobicContact CD2-CD1 4.27Å; F26-I894 HydrophobicContact CE1-CD1 3.89Å; F26-I894 HydrophobicContact CE2-CD1 3.53Å; F26-I894 HydrophobicContact CE2-CG1 3.53Å; F26-I894 HydrophobicContact CZ-CD1 3.33Å; F26-I894 HydrophobicContact CZ-CG1 3.51Å
27T74.6Confident85.5Confident44 Ų4440.8 Ų40.827%0.2724%0.236SC..  trans-85.4137174.364.70000110H439T27-H439 PolarHBondContact OG1-ND1 2.96Å
28S73.8Confident85.3Confident59 Ų5943.9 Ų43.941%0.41326%0.257SS..  trans-47.7130.6176.5-179.20000111.6L30 H439S28-L30 PolarHBondContact O-N 3Å; S28-L30 PolarHBondContact OG-N 3.41Å; S28-H439 PolarHBondContact O-CE1 3.14Å; S28-H439 PolarHBondContact O-ND1 3.33Å
29P73.1Confident85.4Confident46 Ų4641.9 Ų41.930%0.29925%0.25SS..  trans-74.8-16177.830.4-35.1000112V31 F107P29-V31 PolarHBondContact O-N 3.23Å; P29-F107 HydrophobicContact CG-CD2 4.42Å
30L83.6Confident85.4Confident17 Ų1742.2 Ų42.29%0.08926%0.257CS..  trans-72.3129.2-176-61.6177.7000110.9S28 F107 V123 F125 N342S28-L30 PolarHBondContact O-N 3Å; S28-L30 PolarHBondContact OG-N 3.41Å; L30-F107 HydrophobicContact CD2-CD1 4.38Å; L30-F107 HydrophobicContact CD2-CD2 4.21Å; L30-F107 HydrophobicContact CD2-CE1 4.01Å; L30-F107 HydrophobicContact CD2-CE2 3.84Å; L30-F107 HydrophobicContact CD2-CG 4.49Å; L30-F107 HydrophobicContact CD2-CZ 3.74Å; L30-V123 HydrophobicContact CD1-CB 4.1Å; L30-V123 HydrophobicContact CD1-CG1 3.61Å; L30-F125 HydrophobicContact CD1-CB 4.31Å; L30-F125 HydrophobicContact CD2-CB 4.3Å; L30-N342 HydrophobicContact CD2-CB 3.79Å
31V85.6Confident85.6Confident1 Ų144.7 Ų44.71%0.00627%0.27CS..  trans-108.7146.2169.1-173.50000107.3P29 M34 N342 M376 K377 L435P29-V31 PolarHBondContact O-N 3.23Å; V31-M34 HydrophobicContact CB-CE 3.9Å; V31-M34 HydrophobicContact CB-SD 4.43Å; V31-M34 HydrophobicContact CG1-CE 4.32Å; V31-M34 WeakPolarHBondContact O-CE 3.49Å; V31-N342 PolarHBondContact N-OD1 3.49Å; V31-N342 PolarHBondContact O-ND2 2.93Å; V31-N342 PolarHBondContact O-OD1 2.69Å; V31-N342 VanDerWaalsContact O-OD1 3.07Å; V31-M376 HydrophobicContact CG1-CB 3.53Å; V31-K377 HydrophobicContact CG2-CB 4.33Å; V31-K377 HydrophobicContact CG2-CD 4.24Å; V31-L435 HydrophobicContact CG2-CD1 4.16Å
32H86.8Confident85.8Confident110 Ų11048.8 Ų48.851%0.50930%0.304SS..  trans-124.6156.6178.7-58.3-65.9000110.3
33G85.1Confident86.3Confident67 Ų6748.2 Ų48.269%0.69130%0.304SS*.SBendtrans94.88.1179.300000115.1
34M90.6Very high86.9Confident21 Ų2146.5 Ų46.510%0.10330%0.296CS..PPolyproline II helixtrans-79.7155.1175.7-63.8164.7-75.100111.9V31 V341 E372 Q373 M376V31-M34 HydrophobicContact CB-CE 3.9Å; V31-M34 HydrophobicContact CB-SD 4.43Å; V31-M34 HydrophobicContact CG1-CE 4.32Å; V31-M34 WeakPolarHBondContact O-CE 3.49Å; M34-V341 HydrophobicContact CB-CB 4.33Å; M34-V341 HydrophobicContact CE-CB 3.95Å; M34-V341 HydrophobicContact CE-CG2 3.93Å; M34-V341 HydrophobicContact SD-CB 4.47Å; M34-V341 VanDerWaalsContact SD-O 3.37Å; M34-E372 HydrophobicContact CG-CB 4.28Å; M34-Q373 HydrophobicContact CE-CG 4.06Å; M34-Q373 WeakPolarHBondContact SD-CA 3.39Å; M34-Q373 HydrophobicContact SD-CB 3.81Å; M34-Q373 HydrophobicContact SD-CG 3.12Å; M34-Q373 WeakPolarHBondContact SD-CG 3.38Å; M34-M376 HydrophobicContact CG-CB 4.31Å; M34-M376 HydrophobicContact CG-CG 3.67Å
35T88.3Confident87.3Confident92 Ų9246.3 Ų46.356%0.56430%0.296SS*.PPolyproline II helixtrans-98.4124.4172.6-560000109.7Q37T35-Q37 PolarHBondContact O-NE2 3.2Å
36P91.2Very high87.9Confident56 Ų5646.1 Ų46.136%0.36430%0.298SS..PPolyproline II helixtrans-57.1137.2176.8-2230.9000112.4P338 V341P36-P338 HydrophobicContact CB-CB 3.65Å; P36-P338 HydrophobicContact CB-CG 4.2Å; P36-V341 HydrophobicContact CB-CG1 4.1Å; P36-V341 HydrophobicContact CG-CG1 3.77Å
37Q91.3Very high88.8Confident57 Ų5745.8 Ų45.827%0.26630%0.296SS..  trans-112.4128.8-179.9-57.7-60.3-51.500111.1T35 P338 I339 T365 I368 Q369T35-Q37 PolarHBondContact O-NE2 3.2Å; Q37-P338 VanDerWaalsContact O-CA 3.25Å; Q37-P338 WeakPolarHBondContact O-CA 3.4Å; Q37-I339 PolarHBondContact O-N 3.25Å; Q37-T365 HydrophobicContact CB-CG2 3.79Å; Q37-T365 WeakPolarHBondContact O-CG2 3.04Å; Q37-I368 HydrophobicContact CG-CB 4.45Å; Q37-I368 HydrophobicContact CG-CG2 3.92Å; Q37-Q369 HydrophobicContact CB-CB 4.46Å; Q37-Q369 HydrophobicContact CG-CB 4.48Å
38S89.1Confident90Very high66 Ų6643.8 Ų43.846%0.46228%0.284SS..  trans-118.5150.6175.757.50000112.1
39T91.3Very high91.1Very high18 Ų1841 Ų4111%0.1126%0.264CS..  trans-71.9128.7177.3-59.10000109.2L41 F358 E361 T365T39-L41 HydrophobicContact CG2-CB 4.16Å; T39-L41 HydrophobicContact CG2-CG 4.46Å; T39-L41 PolarHBondContact O-N 2.9Å; T39-F358 HydrophobicContact CG2-CE2 4.46Å; T39-E361 HydrophobicContact CG2-CB 3.98Å; T39-T365 PolarHBondContact OG1-OG1 2.85Å
40P88.4Confident92.4Very high90 Ų9038.8 Ų38.858%0.58425%0.25SS*.SBendtrans-77.715-174.432.9-37.4000114.2
41L94.3Very high93.1Very high53 Ų5338 Ų3828%0.27725%0.246SC..SBendtrans-113.2153.6-177.2-63.3175.2000110.5T39 Q357 F358 E361T39-L41 HydrophobicContact CG2-CB 4.16Å; T39-L41 HydrophobicContact CG2-CG 4.46Å; T39-L41 PolarHBondContact O-N 2.9Å; L41-Q357 HydrophobicContact CD1-CG 4.35Å; L41-F358 HydrophobicContact CB-CD2 3.85Å; L41-F358 HydrophobicContact CB-CE2 4.23Å; L41-F358 HydrophobicContact CD1-CB 4.11Å; L41-F358 HydrophobicContact CD1-CD2 4.01Å; L41-F358 HydrophobicContact CD1-CG 4.46Å; L41-E361 HydrophobicContact CD1-CB 3.87Å; L41-E361 HydrophobicContact CD1-CG 3.88Å; L41-E361 HydrophobicContact CG-CG 4.47Å
42A94.2Very high93.7Very high85 Ų8538 Ų3870%0.70225%0.246SC*.  trans-61.1130.6179.900000111
43P95Very high94.3Very high31 Ų3132.7 Ų32.720%0.20122%0.221CC..  trans-74.2146.2-178.828.6-34000112.2A45 R256 L335P43-A45 VanDerWaalsContact C-N 3.32Å; P43-A45 PolarHBondContact O-N 3.2Å; P43-R256 PolarHBondContact O-NH1 3.26Å; P43-R256 VanDerWaalsContact O-NH1 3.1Å; P43-R256 PolarHBondContact O-NH2 2.9Å; P43-L335 VanDerWaalsContact CB-C 3.43Å
44P95.6Very high94.8Very high20 Ų2029.6 Ų29.613%0.1319%0.189CC..SBendtrans-73-21.5-17930.9-37.3000113.8R256 A290 G291 L334 F358P44-R256 PolarHBondContact O-NH1 3.23Å; P44-A290 WeakPolarHBondContact O-CB 3.32Å; P44-G291 VanDerWaalsContact CB-CA 3.41Å; P44-L334 WeakPolarHBondContact CD-O 3.49Å; P44-L334 HydrophobicContact CG-CD2 4.18Å; P44-L334 WeakPolarHBondContact CG-O 3.42Å; P44-F358 HydrophobicContact CG-CZ 4.49Å
45A97.7Very high95.1Very high1 Ų128.6 Ų28.61%0.00818%0.184CC..  trans-114.9152.5175.200000111.7P43 R256 A258 A290 L334 L335P43-A45 VanDerWaalsContact C-N 3.32Å; P43-A45 PolarHBondContact O-N 3.2Å; A45-R256 VanDerWaalsContact C-NH2 3.28Å; A45-R256 PolarHBondContact O-NH2 3.43Å; A45-A258 HydrophobicContact CB-CB 3.92Å; A45-A290 HydrophobicContact CB-CB 3.91Å; A45-L334 WeakPolarHBondContact CB-O 3.49Å; A45-L334 PolarHBondContact N-O 3.31Å; A45-L335 HydrophobicContact CB-CD1 4.49Å
46S97.7Very high95.5Very high22 Ų2224.2 Ų24.215%0.15416%0.157CC..SBendtrans-99.2-20.7167.8-61.90000112D204 K205 N206 R256 L335S46-D204 CarbonylContact O-C 3.41Å; S46-D204 WeakPolarHBondContact O-CA 3.46Å; S46-K205 PolarHBondContact O-N 3.25Å; S46-N206 PolarHBondContact O-N 2.85Å; S46-R256 PolarHBondContact N-O 2.93Å; S46-R256 PolarHBondContact OG-NE 3.46Å; S46-R256 PolarHBondContact OG-NH2 3.05Å; S46-R256 VanDerWaalsContact OG-NH2 3.09Å; S46-L335 WeakPolarHBondContact O-CD1 3.34Å
47R98.2Very high95.7Very high6 Ų622.2 Ų22.22%0.02314%0.142CC..EExtended strand (participates in β ladder)trans-148.5151.1-179.365.9-159.876.999.1-3.5111.8N206 F208 F251 D254 R256 T257 A258R47-N206 CarbonylContact C-O 3.52Å; R47-N206 WeakPolarHBondContact CA-O 3.27Å; R47-N206 HydrophobicContact CB-CB 4.15Å; R47-F208 HydrophobicContact CB-CE2 4.31Å; R47-F251 VanDerWaalsContact CD-CZ 3.47Å; R47-F251 VanDerWaalsContact CZ-CD1 3.45Å; R47-D254 IonicContact CZ-OD1 3.09Å; R47-D254 IonicContact CZ-OD2 3.5Å; R47-D254 VanDerWaalsContact CZ-OD2 3.27Å; R47-D254 VanDerWaalsContact NH1-CG 3.27Å; R47-D254 IonicContact NH1-OD1 3.24Å; R47-D254 PolarHBondContact NH1-OD1 3.3Å; R47-D254 IonicContact NH1-OD2 3.68Å; R47-D254 PolarHBondContact NH1-OD2 3.35Å; R47-D254 IonicContact NH2-OD2 2.67Å; R47-D254 PolarHBondContact NH2-OD2 3.45Å; R47-R256 PolarHBondContact N-O 2.88Å; R47-T257 HydrophobicContact CG-CG2 3.98Å; R47-T257 PolarHBondContact NH1-OG1 3.27Å; R47-T257 WeakPolarHBondContact O-CA 3.49Å; R47-A258 PolarHBondContact O-N 2.95Å
48L98.7Very high96Very high1 Ų119.6 Ų19.61%0.00513%0.13CC..EExtended strand (participates in β ladder)trans-128.1138.4-178.8-173.2142.3000111.2L50 N206 I207 F208 A258 V260 M331 L334 L335L48-L50 HydrophobicContact CD2-CB 4.02Å; L48-N206 PolarHBondContact N-O 3.36Å; L48-I207 HydrophobicContact CD2-CG2 4.44Å; L48-I207 CarbonylContact O-C 3.34Å; L48-I207 WeakPolarHBondContact O-CA 3.36Å; L48-F208 PolarHBondContact O-N 3.49Å; L48-A258 CarbonylContact C-O 3.29Å; L48-A258 VanDerWaalsContact CA-O 3.31Å; L48-A258 WeakPolarHBondContact CA-O 3.28Å; L48-V260 HydrophobicContact CD1-CG2 4.17Å; L48-V260 HydrophobicContact CD2-CG2 4.41Å; L48-V260 HydrophobicContact CG-CG2 4.45Å; L48-M331 HydrophobicContact CD1-CB 3.85Å; L48-M331 HydrophobicContact CD1-CG 3.74Å; L48-M331 HydrophobicContact CD1-SD 4.49Å; L48-M331 HydrophobicContact CD2-CG 4.14Å; L48-M331 HydrophobicContact CD2-SD 3.8Å; L48-L334 HydrophobicContact CD1-CB 4.46Å; L48-L334 HydrophobicContact CD1-CD1 4.31Å; L48-L335 HydrophobicContact CB-CD1 4.5Å; L48-L335 HydrophobicContact CB-CD2 4.29Å
49V98.8Very high96.2Very high0 Ų018.8 Ų18.80%012%0.121CC..EExtended strand (participates in β ladder)trans-114.9110.9175.5-171.40000108.1I51 F208 L210 M247 T257 A258 Y259 V260V49-I51 HydrophobicContact CG1-CD1 4.21Å; V49-I51 HydrophobicContact CG1-CG1 4.04Å; V49-F208 CarbonylContact C-O 3.4Å; V49-F208 WeakPolarHBondContact CA-O 3.3Å; V49-F208 HydrophobicContact CG1-CB 4.29Å; V49-F208 HydrophobicContact CG2-CB 4.36Å; V49-F208 HydrophobicContact CG2-CD2 4.14Å; V49-L210 HydrophobicContact CG1-CD1 4.3Å; V49-M247 HydrophobicContact CB-SD 4.41Å; V49-M247 HydrophobicContact CG1-CE 4.14Å; V49-M247 HydrophobicContact CG1-SD 4.1Å; V49-M247 HydrophobicContact CG2-CE 4.05Å; V49-M247 HydrophobicContact CG2-SD 3.43Å; V49-M247 WeakPolarHBondContact CG2-SD 3.4Å; V49-T257 HydrophobicContact CG2-CG2 3.85Å; V49-A258 PolarHBondContact N-O 3.32Å; V49-Y259 HydrophobicContact CB-CD1 3.61Å; V49-Y259 HydrophobicContact CB-CE1 3.93Å; V49-Y259 HydrophobicContact CB-CG 4.46Å; V49-Y259 HydrophobicContact CG1-CD1 4.13Å; V49-Y259 HydrophobicContact CG1-CE1 4.34Å; V49-Y259 HydrophobicContact CG2-CD1 3.86Å; V49-Y259 HydrophobicContact CG2-CE1 3.67Å; V49-Y259 WeakPolarHBondContact O-CA 3.46Å; V49-V260 PolarHBondContact O-N 2.84Å
50L98.8Very high96.4Very high0 Ų018 Ų180%012%0.117CC..EExtended strand (participates in β ladder)trans-97.4120.4175.5177.362.7000108.8L48 V52 I104 F129 F208 F209 L210 V260 M331L48-L50 HydrophobicContact CD2-CB 4.02Å; L50-V52 HydrophobicContact CD1-CG2 4.06Å; L50-V52 HydrophobicContact CD2-CG2 4.42Å; L50-V52 HydrophobicContact CG-CG2 4.05Å; L50-I104 HydrophobicContact CD2-CD1 4.2Å; L50-I104 HydrophobicContact CD2-CG1 3.82Å; L50-F129 HydrophobicContact CD2-CE1 4.27Å; L50-F129 HydrophobicContact CD2-CZ 4.11Å; L50-F208 PolarHBondContact N-O 3.29Å; L50-F209 HydrophobicContact CB-CD2 4.08Å; L50-F209 HydrophobicContact CD2-CD2 3.72Å; L50-F209 HydrophobicContact CD2-CE2 4Å; L50-F209 HydrophobicContact CG-CD2 3.78Å; L50-F209 HydrophobicContact CG-CE2 4.15Å; L50-F209 WeakPolarHBondContact O-CA 3.39Å; L50-L210 PolarHBondContact O-N 3.3Å; L50-V260 HydrophobicContact CD1-CB 3.98Å; L50-V260 HydrophobicContact CD1-CG1 3.81Å; L50-M331 HydrophobicContact CB-SD 4.45Å; L50-M331 HydrophobicContact CD1-SD 4.1Å; L50-M331 HydrophobicContact CD2-CE 4.36Å; L50-M331 HydrophobicContact CD2-SD 4.06Å; L50-M331 HydrophobicContact CG-SD 4.43Å
51I98.8Very high96.7Very high1 Ų113.9 Ų13.91%0.0059%0.089CC..EExtended strand (participates in β ladder)trans-119115.2178.9-57157.1000107.2V49 L210 L212 V240 V260 F261 T262V49-I51 HydrophobicContact CG1-CD1 4.21Å; V49-I51 HydrophobicContact CG1-CG1 4.04Å; I51-L210 HydrophobicContact CG1-CB 4.4Å; I51-L212 HydrophobicContact CG2-CD1 3.78Å; I51-V240 HydrophobicContact CD1-CG1 3.93Å; I51-V240 HydrophobicContact CD1-CG2 4.14Å; I51-V240 HydrophobicContact CG2-CG2 4.02Å; I51-V260 PolarHBondContact N-O 3.12Å; I51-F261 HydrophobicContact CB-CD2 3.93Å; I51-F261 HydrophobicContact CG2-CD2 3.58Å; I51-F261 HydrophobicContact CG2-CE2 3.85Å; I51-F261 WeakPolarHBondContact O-CA 3.13Å; I51-T262 PolarHBondContact O-N 3.46Å
52V98.7Very high96.8Very high0 Ų011.5 Ų11.50%08%0.077CC..EExtended strand (participates in β ladder)trans-114.7112.3177.8-178.50000108.3L50 L103 F209 L210 L212 T262 D264L50-V52 HydrophobicContact CD1-CG2 4.06Å; L50-V52 HydrophobicContact CD2-CG2 4.42Å; L50-V52 HydrophobicContact CG-CG2 4.05Å; V52-L103 HydrophobicContact CG1-CD1 4.24Å; V52-L103 HydrophobicContact CG2-CD1 4.02Å; V52-F209 HydrophobicContact CB-CE2 4.06Å; V52-F209 HydrophobicContact CG2-CE2 3.74Å; V52-L210 PolarHBondContact N-O 2.91Å; V52-L212 PolarHBondContact O-N 3.39Å; V52-T262 WeakPolarHBondContact CA-O 3.27Å; V52-T262 HydrophobicContact CG2-CG2 4.16Å; V52-D264 HydrophobicContact CG1-CB 4.24Å
53A98.1Very high96.7Very high0 Ų010.1 Ų10.10%06%0.06CC..EExtended strand (participates in β ladder)trans-90.79717300000108.8L56 I215 V236 F261 T262 S263A53-L56 HydrophobicContact CB-CB 4.03Å; A53-L56 HydrophobicContact CB-CD2 3.72Å; A53-L56 VanDerWaalsContact O-CB 3.24Å; A53-L56 WeakPolarHBondContact O-CB 3.43Å; A53-L56 PolarHBondContact O-N 3.5Å; A53-I215 HydrophobicContact CB-CD1 4.01Å; A53-V236 HydrophobicContact CB-CG1 4.48Å; A53-F261 HydrophobicContact CB-CE2 4.24Å; A53-F261 HydrophobicContact CB-CZ 3.82Å; A53-T262 PolarHBondContact N-O 3.29Å; A53-S263 WeakPolarHBondContact O-CB 3.36Å; A53-S263 PolarHBondContact O-OG 2.84Å
54D96.7Very high96.6Very high1 Ų110.4 Ų10.41%0.0056%0.059CC..THydrogen-bonded Turntrans-60.9138.7-174-162.4-38.6000111L56 S96 H211 L212 L213 I215 D216 D264 H265D54-L56 VanDerWaalsContact C-N 3.26Å; D54-L56 PolarHBondContact O-N 3.02Å; D54-S96 WeakPolarHBondContact OD2-CB 3.46Å; D54-S96 PolarHBondContact OD2-OG 3.46Å; D54-H211 IonicContact OD2-CE1 3.29Å; D54-H211 IonicContact OD2-NE2 2.82Å; D54-H211 PolarHBondContact OD2-NE2 3.41Å; D54-L212 WeakPolarHBondContact CB-O 3.05Å; D54-L212 PolarHBondContact N-O 3.46Å; D54-L213 HydrophobicContact CB-CD1 4.19Å; D54-I215 WeakPolarHBondContact O-CB 3.45Å; D54-D216 HydrophobicContact CB-CB 4.09Å; D54-D216 PolarHBondContact O-N 2.9Å; D54-D216 WeakPolarHBondContact OD1-CB 3.37Å; D54-D264 WeakPolarHBondContact CA-OD1 3.27Å; D54-H265 IonicContact OD1-CE1 3.85Å; D54-H265 PolarHBondContact OD1-CE1 2.96Å; D54-H265 IonicContact OD1-NE2 2.63Å; D54-H265 PolarHBondContact OD1-NE2 2.91Å
55G95.6Very high96.3Very high0 Ų012.1 Ų12.10%07%0.067CC..THydrogen-bonded Turntrans68.215.8178.800000115.6Y229 D264 H265G55-Y229 PolarHBondContact O-OH 3.41Å; G55-D264 PolarHBondContact N-OD1 3.13Å; G55-H265 CarbonylContact C-O 3.53Å; G55-H265 VanDerWaalsContact C-O 3.29Å; G55-H265 WeakPolarHBondContact CA-O 3.42Å; G55-H265 PolarHBondContact N-O 2.94Å
56L97.6Very high95.8Very high1 Ų118.7 Ų18.71%0.00511%0.11CC..  trans-87114.1-177.417860.5000112A53 D54 L61 I215 I233 F261 S263 H265 P284A53-L56 HydrophobicContact CB-CB 4.03Å; A53-L56 HydrophobicContact CB-CD2 3.72Å; A53-L56 VanDerWaalsContact O-CB 3.24Å; A53-L56 WeakPolarHBondContact O-CB 3.43Å; A53-L56 PolarHBondContact O-N 3.5Å; D54-L56 VanDerWaalsContact C-N 3.26Å; D54-L56 PolarHBondContact O-N 3.02Å; L56-L61 HydrophobicContact CD1-CB 4.37Å; L56-L61 HydrophobicContact CD2-CB 4.45Å; L56-L61 HydrophobicContact CD2-CD1 3.76Å; L56-I215 HydrophobicContact CB-CG2 4.22Å; L56-I215 HydrophobicContact CD1-CD1 4.42Å; L56-I215 HydrophobicContact CD1-CG2 4.41Å; L56-I233 HydrophobicContact CD1-CD1 3.56Å; L56-I233 HydrophobicContact CD1-CG1 3.73Å; L56-I233 HydrophobicContact CD1-CG2 4.46Å; L56-F261 HydrophobicContact CD2-CE1 3.78Å; L56-F261 HydrophobicContact CD2-CZ 3.77Å; L56-S263 PolarHBondContact N-OG 2.96Å; L56-S263 VanDerWaalsContact N-OG 3.12Å; L56-S263 WeakPolarHBondContact O-CB 3.36Å; L56-S263 PolarHBondContact O-OG 3.28Å; L56-H265 PolarHBondContact N-O 3.4Å; L56-P284 HydrophobicContact CD2-CG 3.85Å; L56-P284 HydrophobicContact CG-CG 3.97Å; L56-P284 VanDerWaalsContact O-CD 3.24Å; L56-P284 WeakPolarHBondContact O-CD 3.45Å
57R96Very high95.4Very high13 Ų1323 Ų235%0.04913%0.131CC..  trans-74141.5175.6-54.4163.853.3158.6-0.4111.8D59 S60 L61 Y229 M267 N269 S279R57-D59 VanDerWaalsContact C-N 3.33Å; R57-D59 WeakPolarHBondContact CB-OD1 3.47Å; R57-D59 IonicContact CZ-OD1 3.37Å; R57-D59 IonicContact CZ-OD2 3.1Å; R57-D59 IonicContact NE-OD1 3.52Å; R57-D59 PolarHBondContact NE-OD1 3.15Å; R57-D59 IonicContact NE-OD2 3.38Å; R57-D59 PolarHBondContact NE-OD2 3.43Å; R57-D59 IonicContact NH2-OD1 2.79Å; R57-D59 IonicContact NH2-OD2 3.66Å; R57-D59 PolarHBondContact NH2-OD2 3.16Å; R57-D59 PolarHBondContact O-N 2.92Å; R57-S60 PolarHBondContact O-N 2.92Å; R57-L61 PolarHBondContact O-N 3.41Å; R57-Y229 PolarHBondContact N-OH 3.15Å; R57-M267 WeakPolarHBondContact CD-O 3.46Å; R57-M267 HydrophobicContact CG-CB 4.36Å; R57-N269 PolarHBondContact NH1-OD1 3.27Å; R57-N269 PolarHBondContact NH2-OD1 3.11Å; R57-S279 WeakPolarHBondContact CG-O 3.25Å
58A96Very high95Very high2 Ų227.3 Ų27.32%0.01716%0.162CC..Hα-helixtrans-56.5-45.8174.300000112.2S60 L61 F62 L282 W312A58-S60 VanDerWaalsContact C-N 3.31Å; A58-S60 PolarHBondContact O-N 3.1Å; A58-L61 PolarHBondContact O-N 2.98Å; A58-F62 HydrophobicContact CB-CD2 4.03Å; A58-F62 HydrophobicContact CB-CE2 3.91Å; A58-F62 WeakPolarHBondContact O-CD2 3.42Å; A58-F62 WeakPolarHBondContact O-CG 3.32Å; A58-F62 PolarHBondContact O-N 3.49Å; A58-L282 HydrophobicContact CB-CB 4.24Å; A58-L282 VanDerWaalsContact CB-O 3.27Å; A58-L282 WeakPolarHBondContact CB-O 3.37Å; A58-L282 PolarHBondContact N-O 3.49Å; A58-W312 HydrophobicContact CB-CH2 4.32Å; A58-W312 HydrophobicContact CB-CZ2 4.32Å
59D94.3Very high94.7Very high49 Ų4929.5 Ų29.526%0.26218%0.178SC..Hα-helixtrans-63.6-36.2-179.864.2-7.6000112.9R57 L61 T63R57-D59 VanDerWaalsContact C-N 3.33Å; R57-D59 WeakPolarHBondContact CB-OD1 3.47Å; R57-D59 IonicContact CZ-OD1 3.37Å; R57-D59 IonicContact CZ-OD2 3.1Å; R57-D59 IonicContact NE-OD1 3.52Å; R57-D59 PolarHBondContact NE-OD1 3.15Å; R57-D59 IonicContact NE-OD2 3.38Å; R57-D59 PolarHBondContact NE-OD2 3.43Å; R57-D59 IonicContact NH2-OD1 2.79Å; R57-D59 IonicContact NH2-OD2 3.66Å; R57-D59 PolarHBondContact NH2-OD2 3.16Å; R57-D59 PolarHBondContact O-N 2.92Å; D59-L61 VanDerWaalsContact C-N 3.31Å; D59-L61 PolarHBondContact O-N 2.77Å; D59-T63 WeakPolarHBondContact O-CB 3.45Å; D59-T63 PolarHBondContact O-N 2.86Å; D59-T63 PolarHBondContact O-OG1 3.48Å
60S94.6Very high94.5Very high3 Ų330.5 Ų30.52%0.02119%0.185CC..Hα-helixtrans-67.8-32.5179.6-62.30000112R57 A58 R71R57-S60 PolarHBondContact O-N 2.92Å; A58-S60 VanDerWaalsContact C-N 3.31Å; A58-S60 PolarHBondContact O-N 3.1Å; S60-R71 PolarHBondContact O-NH1 2.88Å
61L96.3Very high94.3Very high2 Ų232 Ų321%0.0119%0.19CC..Hα-helixtrans-80.2-44.7174.9-177.8146.6000112.7L56 R57 A58 D59 T72 L75 I79 F261 P284L56-L61 HydrophobicContact CD1-CB 4.37Å; L56-L61 HydrophobicContact CD2-CB 4.45Å; L56-L61 HydrophobicContact CD2-CD1 3.76Å; R57-L61 PolarHBondContact O-N 3.41Å; A58-L61 PolarHBondContact O-N 2.98Å; D59-L61 VanDerWaalsContact C-N 3.31Å; D59-L61 PolarHBondContact O-N 2.77Å; L61-T72 HydrophobicContact CG-CG2 4.27Å; L61-T72 PolarHBondContact O-OG1 3.4Å; L61-L75 HydrophobicContact CD1-CD1 3.87Å; L61-I79 HydrophobicContact CD2-CD1 4.39Å; L61-F261 HydrophobicContact CD1-CD1 4.28Å; L61-F261 HydrophobicContact CD1-CE1 3.46Å; L61-F261 VanDerWaalsContact CD1-CE1 3.46Å; L61-F261 HydrophobicContact CD1-CZ 4.15Å; L61-P284 HydrophobicContact CB-CB 4.36Å; L61-P284 HydrophobicContact CB-CG 4.37Å; L61-P284 HydrophobicContact CD1-CB 4.08Å; L61-P284 HydrophobicContact CD1-CG 4.04Å; L61-P284 HydrophobicContact CD2-CB 4.2Å; L61-P284 HydrophobicContact CG-CB 4.46Å
62F95.8Very high94.3Very high3 Ų332.1 Ų32.11%0.01319%0.191CC..Hα-helixtrans-85.7-24.6-169.8-62.6-53000114.5A58 R76 I79 W85 P284 V286 W312 L314A58-F62 HydrophobicContact CB-CD2 4.03Å; A58-F62 HydrophobicContact CB-CE2 3.91Å; A58-F62 WeakPolarHBondContact O-CD2 3.42Å; A58-F62 WeakPolarHBondContact O-CG 3.32Å; A58-F62 PolarHBondContact O-N 3.49Å; F62-R76 PolarHBondContact O-NH1 3.17Å; F62-I79 HydrophobicContact CD1-CD1 3.9Å; F62-I79 HydrophobicContact CE1-CD1 3.62Å; F62-W85 HydrophobicContact CD1-CE3 4.32Å; F62-W85 HydrophobicContact CD1-CZ3 4.39Å; F62-W85 HydrophobicContact CD2-CZ3 4.46Å; F62-W85 AromaticContact CE1-CE3 3.75Å; F62-W85 HydrophobicContact CE1-CE3 3.75Å; F62-W85 HydrophobicContact CE1-CZ3 4.19Å; F62-W85 HydrophobicContact CE2-CE3 4.33Å; F62-W85 HydrophobicContact CE2-CZ3 4.26Å; F62-W85 AromaticContact CZ-CE3 3.77Å; F62-W85 HydrophobicContact CZ-CE3 3.77Å; F62-W85 HydrophobicContact CZ-CZ3 4.14Å; F62-P284 HydrophobicContact CE1-CB 4.41Å; F62-P284 HydrophobicContact CE2-CB 3.87Å; F62-P284 HydrophobicContact CZ-CB 3.65Å; F62-V286 HydrophobicContact CE1-CG2 4.4Å; F62-W312 HydrophobicContact CB-CB 3.86Å; F62-W312 HydrophobicContact CB-CD2 3.56Å; F62-W312 HydrophobicContact CB-CE3 4.06Å; F62-W312 HydrophobicContact CB-CG 3.44Å; F62-W312 VanDerWaalsContact CB-CG 3.44Å; F62-W312 AromaticContact CD2-CD2 3.91Å; F62-W312 HydrophobicContact CD2-CD2 3.91Å; F62-W312 AromaticContact CD2-CE3 3.75Å; F62-W312 HydrophobicContact CD2-CE3 3.75Å; F62-W312 AromaticContact CD2-CH2 3.9Å; F62-W312 HydrophobicContact CD2-CH2 3.9Å; F62-W312 HydrophobicContact CD2-CZ2 4.05Å; F62-W312 AromaticContact CD2-CZ3 3.74Å; F62-W312 HydrophobicContact CD2-CZ3 3.74Å; F62-W312 HydrophobicContact CE2-CH2 4.36Å; F62-W312 HydrophobicContact CE2-CZ3 4.17Å; F62-W312 HydrophobicContact CG-CD2 4.08Å; F62-W312 HydrophobicContact CG-CE3 4.11Å; F62-W312 HydrophobicContact CG-CG 4.42Å; F62-L314 HydrophobicContact CD1-CD1 4.17Å
63T92.4Very high94.2Very high56 Ų5635.7 Ų35.734%0.34421%0.214SC..SBendtrans-71.2131.4-177.2-55.70000111.4D59D59-T63 WeakPolarHBondContact O-CB 3.45Å; D59-T63 PolarHBondContact O-N 2.86Å; D59-T63 PolarHBondContact O-OG1 3.48Å
64L92.5Very high94.2Very high37 Ų3738.1 Ų38.119%0.19423%0.225CC..PPolyproline II helixtrans-73.7152175.5-63.6178.6000111.8N313L64-N313 HydrophobicContact CD1-CB 3.76Å
65L90.2Very high94.3Very high56 Ų5638.1 Ų38.129%0.29323%0.225SC..PPolyproline II helixtrans-69161.8170.4-64.6175.1000110.6N67 S68 S69L65-N67 WeakPolarHBondContact CB-OD1 3.23Å; L65-N67 PolarHBondContact O-N 3.29Å; L65-S68 WeakPolarHBondContact O-CA 3.18Å; L65-S68 PolarHBondContact O-N 3.48Å; L65-S69 WeakPolarHBondContact CB-O 3.41Å; L65-S69 PolarHBondContact N-O 2.85Å
66P86.9Confident94.4Very high139 Ų13938.8 Ų38.890%0.90323%0.228SC*.THydrogen-bonded Turntrans-57.5-24.1-179.4-27.435.6000115S68P66-S68 PolarHBondContact O-N 2.74Å
67N89.6Confident94.4Very high114 Ų11441.9 Ų41.961%0.6125%0.246SC*.THydrogen-bonded Turntrans-8410.5173.967.4-13.3000113.3L65 S69L65-N67 WeakPolarHBondContact CB-OD1 3.23Å; L65-N67 PolarHBondContact O-N 3.29Å; N67-S69 VanDerWaalsContact CG-OG 3.26Å; N67-S69 PolarHBondContact ND2-OG 3.03Å; N67-S69 PolarHBondContact O-N 2.8Å; N67-S69 PolarHBondContact OD1-N 3.02Å; N67-S69 VanDerWaalsContact OD1-N 3.13Å; N67-S69 PolarHBondContact OD1-OG 3.15Å
68S88.9Confident94.5Very high95 Ų9541.5 Ų41.566%0.66425%0.246SC*.SBendtrans6411-176.1-52.20000116L65 P66L65-S68 WeakPolarHBondContact O-CA 3.18Å; L65-S68 PolarHBondContact O-N 3.48Å; P66-S68 PolarHBondContact O-N 2.74Å
69S92.9Very high94.6Very high48 Ų4841.5 Ų41.534%0.33625%0.245SC..  trans-86.4151.1171.265.20000111.7L65 N67L65-S69 WeakPolarHBondContact CB-O 3.41Å; L65-S69 PolarHBondContact N-O 2.85Å; N67-S69 VanDerWaalsContact CG-OG 3.26Å; N67-S69 PolarHBondContact ND2-OG 3.03Å; N67-S69 PolarHBondContact O-N 2.8Å; N67-S69 PolarHBondContact OD1-N 3.02Å; N67-S69 VanDerWaalsContact OD1-N 3.13Å; N67-S69 PolarHBondContact OD1-OG 3.15Å
70S94.4Very high94.8Very high21 Ų2142 Ų4215%0.14725%0.246CC..  trans-78.4142.9170.5-173.90000111T72S70-T72 PolarHBondContact OG-N 2.98Å; S70-T72 PolarHBondContact OG-O 2.86Å; S70-T72 PolarHBondContact OG-OG1 3.02Å
71R94.9Very high94.9Very high31 Ų3147.9 Ų47.912%0.11727%0.273CS..SBendtrans-71.4-24.7167.2-169.1174.2-43.1100.94.9112.1S60 P73 L230 A234S60-R71 PolarHBondContact O-NH1 2.88Å; R71-P73 WeakPolarHBondContact O-CD 3.48Å; R71-L230 WeakPolarHBondContact CD-O 3.33Å; R71-A234 HydrophobicContact CG-CB 3.93Å
72T97.3Very high94.9Very high3 Ų350.9 Ų50.92%0.01829%0.291CS..SBendtrans-115.667.3179.752.90000109.4L61 S70 F74 L75 R76 I233 D237L61-T72 HydrophobicContact CG-CG2 4.27Å; L61-T72 PolarHBondContact O-OG1 3.4Å; S70-T72 PolarHBondContact OG-N 2.98Å; S70-T72 PolarHBondContact OG-O 2.86Å; S70-T72 PolarHBondContact OG-OG1 3.02Å; T72-F74 VanDerWaalsContact C-N 3.28Å; T72-F74 PolarHBondContact O-N 3.05Å; T72-L75 PolarHBondContact O-N 3.41Å; T72-R76 WeakPolarHBondContact O-CB 3.48Å; T72-R76 PolarHBondContact O-N 3.03Å; T72-I233 HydrophobicContact CG2-CG2 3.47Å; T72-I233 VanDerWaalsContact CG2-CG2 3.47Å; T72-D237 VanDerWaalsContact C-CG 3.48Å; T72-D237 VanDerWaalsContact C-OD1 3.29Å; T72-D237 WeakPolarHBondContact CA-OD1 3.46Å; T72-D237 VanDerWaalsContact CB-OD1 3.3Å; T72-D237 WeakPolarHBondContact CB-OD1 3.3Å; T72-D237 HydrophobicContact CG2-CB 3.96Å
73P97.6Very high94.9Very high76 Ų7650.7 Ų50.749%0.49429%0.291SS..Hα-helixtrans-59.3-35.5-174.624.2-35.3000113.4R71 T77 D237R71-P73 WeakPolarHBondContact O-CD 3.48Å; P73-T77 WeakPolarHBondContact O-CB 3.45Å; P73-T77 PolarHBondContact O-N 3.33Å; P73-T77 PolarHBondContact O-OG1 2.88Å; P73-D237 WeakPolarHBondContact CD-OD2 3.5Å
74F98.6Very high95.2Very high51 Ų5148.7 Ų48.722%0.22428%0.278CS..Hα-helixtrans-66.8-55.7177.9172.7-98.8000110.9T72 R76 T77 V78 D237 V240 A241 V244 W288T72-F74 VanDerWaalsContact C-N 3.28Å; T72-F74 PolarHBondContact O-N 3.05Å; F74-R76 VanDerWaalsContact C-N 3.27Å; F74-R76 PolarHBondContact O-N 3.5Å; F74-T77 WeakPolarHBondContact O-CB 3.32Å; F74-T77 PolarHBondContact O-N 2.9Å; F74-T77 VanDerWaalsContact O-N 3.1Å; F74-V78 HydrophobicContact CD1-CG2 4.45Å; F74-V78 HydrophobicContact CE1-CG2 3.99Å; F74-V78 HydrophobicContact CE2-CG2 4.38Å; F74-V78 HydrophobicContact CZ-CG2 3.95Å; F74-V78 WeakPolarHBondContact O-CG2 3.4Å; F74-V78 PolarHBondContact O-N 3Å; F74-D237 WeakPolarHBondContact CB-OD2 3.4Å; F74-D237 PolarHBondContact N-OD1 3.35Å; F74-D237 PolarHBondContact N-OD2 3.41Å; F74-V240 HydrophobicContact CD1-CG1 4.1Å; F74-V240 HydrophobicContact CE1-CG1 3.77Å; F74-A241 HydrophobicContact CB-CB 3.89Å; F74-A241 HydrophobicContact CD1-CB 4.09Å; F74-A241 HydrophobicContact CD2-CB 3.59Å; F74-A241 HydrophobicContact CE2-CB 4.14Å; F74-A241 HydrophobicContact CG-CB 3.56Å; F74-V244 HydrophobicContact CE1-CG2 4.22Å; F74-V244 HydrophobicContact CZ-CB 4.13Å; F74-V244 HydrophobicContact CZ-CG1 4.15Å; F74-V244 HydrophobicContact CZ-CG2 3.93Å; F74-W288 HydrophobicContact CE1-CZ2 4.11Å; F74-W288 HydrophobicContact CZ-CZ2 4.4Å
75L98.4Very high95.5Very high1 Ų147 Ų471%0.00527%0.269CS..Hα-helixtrans-63-34.8179.7-68171.1000111.9L61 T72 V78 I79 D237 F261 W288L61-L75 HydrophobicContact CD1-CD1 3.87Å; T72-L75 PolarHBondContact O-N 3.41Å; L75-V78 WeakPolarHBondContact O-CB 3.45Å; L75-V78 PolarHBondContact O-N 3.04Å; L75-I79 WeakPolarHBondContact O-CD1 3.18Å; L75-I79 VanDerWaalsContact O-CG1 3.23Å; L75-I79 WeakPolarHBondContact O-CG1 3.4Å; L75-I79 PolarHBondContact O-N 2.88Å; L75-D237 WeakPolarHBondContact CB-OD1 3.47Å; L75-D237 VanDerWaalsContact CG-OD1 3.31Å; L75-D237 WeakPolarHBondContact CG-OD1 3.33Å; L75-D237 PolarHBondContact N-OD1 3.31Å; L75-F261 HydrophobicContact CD1-CD1 3.96Å; L75-F261 HydrophobicContact CD1-CD2 4.18Å; L75-F261 HydrophobicContact CD1-CE1 3.73Å; L75-F261 HydrophobicContact CD1-CE2 3.94Å; L75-F261 HydrophobicContact CD1-CG 4.19Å; L75-F261 HydrophobicContact CD1-CZ 3.71Å; L75-F261 HydrophobicContact CD2-CB 4.28Å; L75-F261 HydrophobicContact CD2-CD1 4.35Å; L75-F261 HydrophobicContact CD2-CD2 4.3Å; L75-F261 HydrophobicContact CD2-CG 4.04Å; L75-W288 HydrophobicContact CD2-CH2 4.15Å; L75-W288 HydrophobicContact CD2-CZ3 4.23Å
76R97.7Very high95.8Very high14 Ų1444.3 Ų44.35%0.05326%0.255CS..Hα-helixtrans-60.9-44.3173.2-17470.2-176.8-158.55.6111.9F62 T72 F74 V78 I79 E80 W312 N313 L314F62-R76 PolarHBondContact O-NH1 3.17Å; T72-R76 WeakPolarHBondContact O-CB 3.48Å; T72-R76 PolarHBondContact O-N 3.03Å; F74-R76 VanDerWaalsContact C-N 3.27Å; F74-R76 PolarHBondContact O-N 3.5Å; R76-V78 VanDerWaalsContact C-N 3.32Å; R76-V78 PolarHBondContact O-N 3.15Å; R76-I79 WeakPolarHBondContact O-CB 3.47Å; R76-I79 PolarHBondContact O-N 2.92Å; R76-E80 IonicContact CZ-OE1 2.77Å; R76-E80 IonicContact NE-OE1 3.9Å; R76-E80 PolarHBondContact NE-OE1 3.48Å; R76-E80 IonicContact NH2-OE1 3.13Å; R76-E80 PolarHBondContact NH2-OE1 3.43Å; R76-E80 WeakPolarHBondContact O-CG 3.36Å; R76-E80 PolarHBondContact O-N 2.97Å; R76-W312 PolarHBondContact NH1-O 2.98Å; R76-N313 PolarHBondContact NH2-O 3.09Å; R76-L314 VanDerWaalsContact CZ-CD2 3.42Å; R76-L314 VanDerWaalsContact NH2-CD2 3.34Å
77T98.1Very high96.3Very high65 Ų6537.7 Ų37.740%0.39921%0.212SC..Hα-helixtrans-63.4-40.6175.8-54.80000110.8P73 F74 I79 E80 E81P73-T77 WeakPolarHBondContact O-CB 3.45Å; P73-T77 PolarHBondContact O-N 3.33Å; P73-T77 PolarHBondContact O-OG1 2.88Å; F74-T77 WeakPolarHBondContact O-CB 3.32Å; F74-T77 PolarHBondContact O-N 2.9Å; F74-T77 VanDerWaalsContact O-N 3.1Å; T77-I79 PolarHBondContact O-N 2.69Å; T77-E80 PolarHBondContact O-N 3.47Å; T77-E81 HydrophobicContact CG2-CG 4.24Å; T77-E81 WeakPolarHBondContact O-CB 3.43Å; T77-E81 PolarHBondContact O-N 2.94Å
78V98.3Very high96.7Very high6 Ų632.2 Ų32.24%0.03618%0.183CC..Iπ-helixtrans-58.5-47.9174.1174.50000111F74 L75 R76 E80 T82 G83 V286 W288F74-V78 HydrophobicContact CD1-CG2 4.45Å; F74-V78 HydrophobicContact CE1-CG2 3.99Å; F74-V78 HydrophobicContact CE2-CG2 4.38Å; F74-V78 HydrophobicContact CZ-CG2 3.95Å; F74-V78 WeakPolarHBondContact O-CG2 3.4Å; F74-V78 PolarHBondContact O-N 3Å; L75-V78 WeakPolarHBondContact O-CB 3.45Å; L75-V78 PolarHBondContact O-N 3.04Å; R76-V78 VanDerWaalsContact C-N 3.32Å; R76-V78 PolarHBondContact O-N 3.15Å; V78-E80 VanDerWaalsContact C-N 3.34Å; V78-E80 PolarHBondContact O-N 2.95Å; V78-T82 PolarHBondContact O-N 3.27Å; V78-G83 PolarHBondContact O-N 3.49Å; V78-V286 HydrophobicContact CB-CG1 4.3Å; V78-V286 HydrophobicContact CG1-CG1 3.67Å; V78-W288 HydrophobicContact CG1-CB 3.65Å; V78-W288 HydrophobicContact CG1-CD2 3.67Å; V78-W288 HydrophobicContact CG1-CE3 3.72Å; V78-W288 HydrophobicContact CG1-CG 3.67Å; V78-W288 HydrophobicContact CG2-CD2 4.4Å
79I97.9Very high97Very high1 Ų130.6 Ų30.61%0.00517%0.165CC..Iπ-helixtrans-57.8-44.8178.1-71.5161.3000111.9L61 F62 L75 R76 T77 W85 V286 A295 L314L61-I79 HydrophobicContact CD2-CD1 4.39Å; F62-I79 HydrophobicContact CD1-CD1 3.9Å; F62-I79 HydrophobicContact CE1-CD1 3.62Å; L75-I79 WeakPolarHBondContact O-CD1 3.18Å; L75-I79 VanDerWaalsContact O-CG1 3.23Å; L75-I79 WeakPolarHBondContact O-CG1 3.4Å; L75-I79 PolarHBondContact O-N 2.88Å; R76-I79 WeakPolarHBondContact O-CB 3.47Å; R76-I79 PolarHBondContact O-N 2.92Å; T77-I79 PolarHBondContact O-N 2.69Å; I79-W85 HydrophobicContact CB-CB 4.46Å; I79-W85 HydrophobicContact CB-CG 4.39Å; I79-W85 HydrophobicContact CG1-CB 3.84Å; I79-W85 HydrophobicContact CG1-CG 4.18Å; I79-W85 HydrophobicContact CG2-CB 4.22Å; I79-W85 HydrophobicContact CG2-CD2 3.98Å; I79-W85 HydrophobicContact CG2-CG 3.65Å; I79-V286 HydrophobicContact CD1-CG2 3.88Å; I79-V286 HydrophobicContact CG1-CG1 3.91Å; I79-V286 HydrophobicContact CG1-CG2 3.85Å; I79-A295 WeakPolarHBondContact O-CB 3.37Å; I79-L314 HydrophobicContact CG2-CD1 4.21Å; I79-L314 HydrophobicContact CG2-CD2 3.69Å
80E97Very high96.8Very high59 Ų5928.7 Ų28.728%0.27615%0.151SC..Iπ-helixtrans-84.1-21.2-172.3-70-179167.800113.8R76 T77 V78 A295 L314 I317R76-E80 IonicContact CZ-OE1 2.77Å; R76-E80 IonicContact NE-OE1 3.9Å; R76-E80 PolarHBondContact NE-OE1 3.48Å; R76-E80 IonicContact NH2-OE1 3.13Å; R76-E80 PolarHBondContact NH2-OE1 3.43Å; R76-E80 WeakPolarHBondContact O-CG 3.36Å; R76-E80 PolarHBondContact O-N 2.97Å; T77-E80 PolarHBondContact O-N 3.47Å; V78-E80 VanDerWaalsContact C-N 3.34Å; V78-E80 PolarHBondContact O-N 2.95Å; E80-A295 WeakPolarHBondContact O-CB 3.19Å; E80-L314 HydrophobicContact CG-CD2 4.26Å; E80-I317 HydrophobicContact CG-CG1 4.42Å
81E96.9Very high96.1Very high128 Ų12832.7 Ų32.760%0.59816%0.163SC*.Iπ-helixtrans-124.1-46.8-170.6-57.3-168.9167.400115.1T77T77-E81 HydrophobicContact CG2-CG 4.24Å; T77-E81 WeakPolarHBondContact O-CB 3.43Å; T77-E81 PolarHBondContact O-N 2.94Å
82T95.8Very high94.9Very high64 Ų6431.4 Ų31.439%0.39316%0.158SC..Iπ-helixtrans-121.6-19.6-160.9590000115.5V78V78-T82 PolarHBondContact O-N 3.27Å
83G97Very high93.6Very high0 Ų032.3 Ų32.30%016%0.164CC..  trans-118.3179.8-173.700000114.8V78 V287 N293 R294 A295V78-G83 PolarHBondContact O-N 3.49Å; G83-V287 CarbonylContact C-O 3.6Å; G83-V287 WeakPolarHBondContact CA-O 3.39Å; G83-N293 CarbonylContact C-O 3.57Å; G83-N293 VanDerWaalsContact C-O 3.25Å; G83-R294 CarbonylContact O-C 3.57Å; G83-A295 VanDerWaalsContact O-CA 3.31Å; G83-A295 WeakPolarHBondContact O-CA 3.32Å; G83-A295 PolarHBondContact O-N 2.76Å
84T98.1Very high92.8Very high13 Ų1328.7 Ų28.78%0.0814%0.141CC..EExtended strand (participates in β ladder)trans-112.3143.8168.9-58.60000108.8V287 N293 A320 Y351T84-V287 PolarHBondContact N-O 3.13Å; T84-V287 PolarHBondContact O-N 3.16Å; T84-N293 PolarHBondContact N-O 2.76Å; T84-N293 VanDerWaalsContact OG1-CB 3.29Å; T84-N293 WeakPolarHBondContact OG1-CB 3.35Å; T84-N293 PolarHBondContact OG1-O 2.86Å; T84-A320 HydrophobicContact CG2-CB 4.1Å; T84-Y351 HydrophobicContact CG2-CD1 3.61Å; T84-Y351 HydrophobicContact CG2-CD2 4.19Å; T84-Y351 HydrophobicContact CG2-CE1 3.63Å; T84-Y351 HydrophobicContact CG2-CE2 4.2Å; T84-Y351 HydrophobicContact CG2-CG 3.92Å
85W98.1Very high92Very high1 Ų128.2 Ų28.20%0.00414%0.14CC..EExtended strand (participates in β ladder)trans-140.8160.8-172.777.9-77.4000112.3F62 I79 L285 V286 L309 W312 L314 I317 R318 R319 A320F62-W85 HydrophobicContact CD1-CE3 4.32Å; F62-W85 HydrophobicContact CD1-CZ3 4.39Å; F62-W85 HydrophobicContact CD2-CZ3 4.46Å; F62-W85 AromaticContact CE1-CE3 3.75Å; F62-W85 HydrophobicContact CE1-CE3 3.75Å; F62-W85 HydrophobicContact CE1-CZ3 4.19Å; F62-W85 HydrophobicContact CE2-CE3 4.33Å; F62-W85 HydrophobicContact CE2-CZ3 4.26Å; F62-W85 AromaticContact CZ-CE3 3.77Å; F62-W85 HydrophobicContact CZ-CE3 3.77Å; F62-W85 HydrophobicContact CZ-CZ3 4.14Å; I79-W85 HydrophobicContact CB-CB 4.46Å; I79-W85 HydrophobicContact CB-CG 4.39Å; I79-W85 HydrophobicContact CG1-CB 3.84Å; I79-W85 HydrophobicContact CG1-CG 4.18Å; I79-W85 HydrophobicContact CG2-CB 4.22Å; I79-W85 HydrophobicContact CG2-CD2 3.98Å; I79-W85 HydrophobicContact CG2-CG 3.65Å; W85-L285 CarbonylContact C-O 3.6Å; W85-L285 VanDerWaalsContact CA-O 3.23Å; W85-L285 WeakPolarHBondContact CA-O 3.4Å; W85-V286 HydrophobicContact CB-CG2 4.49Å; W85-L309 HydrophobicContact CH2-CD2 3.83Å; W85-L309 HydrophobicContact CZ2-CD2 4Å; W85-W312 HydrophobicContact CH2-CE3 4.09Å; W85-W312 HydrophobicContact CH2-CZ3 4.45Å; W85-W312 AromaticContact CZ3-CE3 3.9Å; W85-W312 HydrophobicContact CZ3-CE3 3.9Å; W85-W312 HydrophobicContact CZ3-CZ3 4.03Å; W85-L314 HydrophobicContact CD2-CD1 4.37Å; W85-L314 HydrophobicContact CE3-CD1 4.17Å; W85-L314 HydrophobicContact CH2-CB 3.71Å; W85-L314 HydrophobicContact CH2-CD1 3.52Å; W85-L314 HydrophobicContact CH2-CG 4.22Å; W85-L314 HydrophobicContact CZ2-CB 3.56Å; W85-L314 HydrophobicContact CZ2-CD1 3.76Å; W85-L314 HydrophobicContact CZ2-CG 4.14Å; W85-L314 HydrophobicContact CZ3-CD1 3.74Å; W85-I317 VanDerWaalsContact NE1-CG2 3.25Å; W85-R318 PolarHBondContact NE1-O 3.04Å; W85-R319 HydrophobicContact CH2-CB 3.95Å; W85-R319 HydrophobicContact CH2-CG 4.1Å; W85-R319 HydrophobicContact CZ2-CB 3.76Å; W85-R319 HydrophobicContact CZ2-CG 4.38Å; W85-R319 HydrophobicContact CZ3-CG 4.33Å; W85-A320 PolarHBondContact O-N 3.14Å
86G97.4Very high91.4Very high0 Ų029.2 Ų29.20%015%0.147CC..EExtended strand (participates in β ladder)trans177.5-164.8173.400000112L285 Y351G86-L285 PolarHBondContact N-O 3.03Å; G86-L285 PolarHBondContact O-N 3.44Å; G86-Y351 PolarHBondContact N-OH 2.76Å
87V97.8Very high90.9Very high0 Ų029.5 Ų29.50%015%0.148CC..EExtended strand (participates in β ladder)trans-100.4128.6172.8179.80000109.7L282 T283 W312 D321 V322V87-L282 HydrophobicContact CG1-CB 3.83Å; V87-L282 HydrophobicContact CG1-CD2 3.63Å; V87-L282 HydrophobicContact CG1-CG 4.29Å; V87-T283 WeakPolarHBondContact CA-O 3.4Å; V87-W312 HydrophobicContact CG2-CH2 3.69Å; V87-W312 HydrophobicContact CG2-CZ3 3.93Å; V87-D321 PolarHBondContact N-OD1 3.11Å; V87-D321 VanDerWaalsContact O-CA 3.32Å; V87-D321 WeakPolarHBondContact O-CA 2.97Å; V87-V322 PolarHBondContact O-N 2.89Å
88S97.4Very high90.3Very high0 Ų027 Ų270%013%0.133CC..EExtended strand (participates in β ladder)trans-86.1119.4164162.60000108.5T90 T283 V322S88-T90 PolarHBondContact O-N 3.44Å; S88-T283 VanDerWaalsContact CB-OG1 3.32Å; S88-T283 WeakPolarHBondContact CB-OG1 3.29Å; S88-T283 PolarHBondContact N-O 3.08Å; S88-T283 PolarHBondContact O-N 3.49Å; S88-T283 PolarHBondContact O-OG1 3.05Å; S88-T283 VanDerWaalsContact O-OG1 3.05Å; S88-T283 PolarHBondContact OG-OG1 3.37Å; S88-V322 WeakPolarHBondContact CA-O 3.4Å
89H94.9Very high90Very high61 Ų6126.8 Ų26.828%0.28213%0.132SC..EExtended strand (participates in β ladder)trans-86.498.1178.1-66.2-90.9000109L282 D321 V322 Q324H89-L282 VanDerWaalsContact CE1-CD2 3.45Å; H89-L282 WeakPolarHBondContact CE1-CD2 3.43Å; H89-L282 WeakPolarHBondContact ND1-CD2 3.44Å; H89-D321 IonicContact CE1-OD2 3.89Å; H89-D321 IonicContact NE2-OD2 3.83Å; H89-D321 PolarHBondContact NE2-OD2 3.43Å; H89-V322 PolarHBondContact CD2-O 3.23Å; H89-V322 PolarHBondContact N-O 3.32Å; H89-Q324 PolarHBondContact O-N 3.28Å
90T89.6Confident89.8Confident7 Ų726.8 Ų26.84%0.04313%0.132CC..  trans-75157.3171.2-176.10000110.2S88 T94 D264 H265 E280 T281 T283 Q324S88-T90 PolarHBondContact O-N 3.44Å; T90-T94 HydrophobicContact CG2-CG2 3.68Å; T90-D264 WeakPolarHBondContact CB-O 3.32Å; T90-D264 PolarHBondContact OG1-O 2.89Å; T90-D264 VanDerWaalsContact OG1-O 3.09Å; T90-H265 HydrophobicContact CG2-CB 4.4Å; T90-E280 WeakPolarHBondContact CG2-O 3.28Å; T90-T281 VanDerWaalsContact CG2-CA 3.44Å; T90-T281 WeakPolarHBondContact CG2-O 3.11Å; T90-T281 PolarHBondContact N-O 2.86Å; T90-T283 HydrophobicContact CG2-CG2 4.17Å; T90-Q324 PolarHBondContact OG1-OE1 3.03Å
91R79.1Confident89.6Confident106 Ų10624 Ų2440%0.412%0.118SC..  trans-112.8154.4175.5-61.1-173-174.5175.12.6108Y108R91-Y108 HydrophobicContact CB-CD1 4Å; R91-Y108 HydrophobicContact CB-CE1 3.98Å; R91-Y108 HydrophobicContact CG-CD1 4.03Å; R91-Y108 HydrophobicContact CG-CE1 3.61Å; R91-Y108 VanDerWaalsContact NE-CZ 3.32Å; R91-Y108 PolarHBondContact NE-OH 3.15Å; R91-Y108 VanDerWaalsContact NH1-CE2 3.3Å
92V69.3Low89.5Confident3 Ų317.9 Ų17.92%0.0189%0.09CC..SBendtrans-75.3176.9178.9-58.20000110.7T94 A275 T281 W887 L888V92-T94 VanDerWaalsContact CA-N 3.26Å; V92-T94 HydrophobicContact CB-CG2 4.46Å; V92-T94 HydrophobicContact CG1-CG2 3.61Å; V92-A275 WeakPolarHBondContact CG1-O 3.2Å; V92-T281 HydrophobicContact CG1-CG2 3.95Å; V92-W887 VanDerWaalsContact C-CG 3.43Å; V92-W887 HydrophobicContact CB-CB 3.8Å; V92-W887 HydrophobicContact CG2-CB 3.06Å; V92-W887 HydrophobicContact CG2-CG 4.39Å; V92-W887 VanDerWaalsContact CG2-N 3.29Å; V92-W887 WeakPolarHBondContact O-CB 3.07Å; V92-W887 VanDerWaalsContact O-CD2 3.3Å; V92-W887 VanDerWaalsContact O-CE2 3.3Å; V92-W887 PolarHBondContact O-NE1 3.28Å; V92-L888 HydrophobicContact CG2-CB 3.79Å
93P71.6Confident89.5Confident22 Ų2214.8 Ų14.814%0.1437%0.071CC..SBendcis-50.2123.6-24.731.6-36.3000107.6E95 P98 W887P93-E95 HydrophobicContact CB-CB 4.5Å; P93-E95 HydrophobicContact CB-CG 3.75Å; P93-E95 HydrophobicContact CG-CG 4.42Å; P93-E95 PolarHBondContact O-N 3.38Å; P93-P98 HydrophobicContact CG-CG 4.06Å; P93-W887 VanDerWaalsContact CD-CD2 3.42Å; P93-W887 VanDerWaalsContact CD-CZ3 3.41Å; P93-W887 HydrophobicContact CG-CE3 4.46Å; P93-W887 HydrophobicContact CG-CH2 4.18Å; P93-W887 HydrophobicContact CG-CZ3 4.13Å
94T79.6Confident89.5Confident1 Ų114.8 Ų14.81%0.0067%0.071CC..  trans-7564.2179.9300000106.8T90 V92 H265 H273 G274 A275 E280 T281T90-T94 HydrophobicContact CG2-CG2 3.68Å; V92-T94 VanDerWaalsContact CA-N 3.26Å; V92-T94 HydrophobicContact CB-CG2 4.46Å; V92-T94 HydrophobicContact CG1-CG2 3.61Å; T94-H265 HydrophobicContact CG2-CB 4.05Å; T94-H265 PolarHBondContact O-CD2 3.09Å; T94-H273 PolarHBondContact O-ND1 3.4Å; T94-G274 PolarHBondContact O-N 2.95Å; T94-G274 VanDerWaalsContact O-N 3.12Å; T94-G274 WeakPolarHBondContact OG1-CA 3.47Å; T94-G274 PolarHBondContact OG1-N 3.08Å; T94-A275 PolarHBondContact OG1-N 3.26Å; T94-A275 PolarHBondContact OG1-O 3.02Å; T94-E280 HydrophobicContact CG2-CB 4.02Å; T94-E280 WeakPolarHBondContact CG2-O 3.49Å; T94-E280 PolarHBondContact OG1-OE2 3.05Å; T94-T281 HydrophobicContact CG2-CG2 4.01Å
95E82.6Confident89.3Confident41 Ų4114.2 Ų14.219%0.1927%0.067CC..  trans-114.1151.1-178.2-65.3-74.8176.400107P93 R97 P98 G99 H273 N810P93-E95 HydrophobicContact CB-CB 4.5Å; P93-E95 HydrophobicContact CB-CG 3.75Å; P93-E95 HydrophobicContact CG-CG 4.42Å; P93-E95 PolarHBondContact O-N 3.38Å; E95-R97 VanDerWaalsContact C-N 3.32Å; E95-R97 PolarHBondContact O-N 3.26Å; E95-P98 HydrophobicContact CB-CG 4.25Å; E95-P98 WeakPolarHBondContact O-CD 3.27Å; E95-G99 PolarHBondContact O-N 2.7Å; E95-H273 IonicContact OE2-CE1 2.9Å; E95-H273 PolarHBondContact OE2-CE1 3.46Å; E95-H273 IonicContact OE2-ND1 2.77Å; E95-N810 PolarHBondContact OE1-ND2 2.96Å
96S86.3Confident89.1Confident22 Ų2214.1 Ų14.115%0.1547%0.067CC..Hα-helixtrans-59.9-42.9-167.6-42.70000112.5D54 G99 H100 D264 H265D54-S96 WeakPolarHBondContact OD2-CB 3.46Å; D54-S96 PolarHBondContact OD2-OG 3.46Å; S96-G99 PolarHBondContact O-N 3.11Å; S96-H100 WeakPolarHBondContact O-CB 3.27Å; S96-H100 PolarHBondContact O-N 3.22Å; S96-H100 PolarHBondContact O-ND1 3.31Å; S96-D264 WeakPolarHBondContact CA-OD2 3.5Å; S96-D264 VanDerWaalsContact CB-OD2 3.23Å; S96-D264 WeakPolarHBondContact CB-OD2 3.37Å; S96-H265 PolarHBondContact OG-NE2 3.04Å
97R85.8Confident88.8Confident20 Ų2014.4 Ų14.48%0.0757%0.068CC..Hα-helixtrans-61.7-58.2-179.5177.5-166.397.5-171.919.7113.5E95 G99 H100 V101 E109 A113 V114 G117 W118 M146E95-R97 VanDerWaalsContact C-N 3.32Å; E95-R97 PolarHBondContact O-N 3.26Å; R97-G99 PolarHBondContact O-N 2.83Å; R97-H100 PolarHBondContact O-N 3.46Å; R97-H100 VanDerWaalsContact O-N 3.16Å; R97-V101 HydrophobicContact CG-CG2 4.47Å; R97-V101 WeakPolarHBondContact O-CG2 3.39Å; R97-V101 PolarHBondContact O-N 3.2Å; R97-E109 IonicContact CZ-OE1 3.54Å; R97-E109 IonicContact CZ-OE2 2.65Å; R97-E109 IonicContact NE-OE1 3.9Å; R97-E109 PolarHBondContact NE-OE1 3.2Å; R97-E109 IonicContact NE-OE2 3.52Å; R97-E109 PolarHBondContact NE-OE2 3.34Å; R97-E109 IonicContact NH2-OE1 3Å; R97-E109 PolarHBondContact NH2-OE1 3.33Å; R97-E109 IonicContact NH2-OE2 2.82Å; R97-A113 PolarHBondContact NH2-O 3.44Å; R97-A113 VanDerWaalsContact NH2-O 3.14Å; R97-V114 VanDerWaalsContact NH2-CA 3.34Å; R97-G117 PolarHBondContact NH1-O 3.32Å; R97-W118 PolarHBondContact NH1-O 3.07Å; R97-M146 HydrophobicContact CB-CE 4.15Å; R97-M146 HydrophobicContact CG-CE 3.78Å; R97-M146 HydrophobicContact CG-SD 3.73Å
98P86.5Confident88.2Confident12 Ų1215.8 Ų15.88%0.0787%0.074CC..Hα-helixtrans-53.2-39.7176.1-29.934.9000113.9P93 E95 V101 A102 V114P93-P98 HydrophobicContact CG-CG 4.06Å; E95-P98 HydrophobicContact CB-CG 4.25Å; E95-P98 WeakPolarHBondContact O-CD 3.27Å; P98-V101 PolarHBondContact O-N 3.1Å; P98-A102 PolarHBondContact O-N 2.91Å; P98-V114 HydrophobicContact CG-CG2 4.28Å
99G91.8Very high87.2Confident2 Ų216.2 Ų16.22%0.0218%0.076CC..Hα-helixtrans-63.4-45.2177.400000112.3E95 S96 R97 A102 L103E95-G99 PolarHBondContact O-N 2.7Å; S96-G99 PolarHBondContact O-N 3.11Å; R97-G99 PolarHBondContact O-N 2.83Å; G99-A102 PolarHBondContact O-N 3.49Å; G99-L103 VanDerWaalsContact O-CG 3.29Å; G99-L103 WeakPolarHBondContact O-CG 3.47Å; G99-L103 PolarHBondContact O-N 3.43Å
100H94.1Very high85.8Confident0 Ų014.3 Ų14.30%07%0.068CC..Hα-helixtrans-64.2-40.2175.8-77.488.1000113.1S96 R97 A102 L103 I104 I143 F147 F209 H211 D264S96-H100 WeakPolarHBondContact O-CB 3.27Å; S96-H100 PolarHBondContact O-N 3.22Å; S96-H100 PolarHBondContact O-ND1 3.31Å; R97-H100 PolarHBondContact O-N 3.46Å; R97-H100 VanDerWaalsContact O-N 3.16Å; H100-A102 VanDerWaalsContact C-N 3.33Å; H100-A102 PolarHBondContact O-N 3.26Å; H100-L103 PolarHBondContact O-N 3.01Å; H100-I104 HydrophobicContact CB-CD1 4.5Å; H100-I104 WeakPolarHBondContact O-CB 3.27Å; H100-I104 PolarHBondContact O-N 2.98Å; H100-I143 HydrophobicContact CB-CG2 4.45Å; H100-F147 HydrophobicContact CB-CE2 4.06Å; H100-F147 HydrophobicContact CB-CZ 3.98Å; H100-F209 AromaticContact CD2-CZ 3.75Å; H100-F209 AromaticContact NE2-CZ 3.89Å; H100-H211 AromaticContact CE1-CD2 3.48Å; H100-H211 PolarHBondContact CE1-CD2 3.1Å; H100-H211 VanDerWaalsContact CE1-CD2 3.48Å; H100-H211 AromaticContact CE1-NE2 3.45Å; H100-H211 PolarHBondContact CE1-NE2 3.22Å; H100-H211 AromaticContact NE2-CD2 3.15Å; H100-H211 PolarHBondContact NE2-CD2 3.04Å; H100-H211 AromaticContact NE2-NE2 3.65Å; H100-D264 IonicContact CE1-OD2 3.83Å; H100-D264 PolarHBondContact CE1-OD2 3.45Å; H100-D264 IonicContact ND1-OD2 3.27Å; H100-D264 PolarHBondContact ND1-OD2 3.48Å
101V92.2Very high84.2Confident0 Ų015.2 Ų15.20%07%0.073CC..Hα-helixtrans-62-42.71751750000110.6R97 P98 A105 G106 F107 E109 F125 M146R97-V101 HydrophobicContact CG-CG2 4.47Å; R97-V101 WeakPolarHBondContact O-CG2 3.39Å; R97-V101 PolarHBondContact O-N 3.2Å; P98-V101 PolarHBondContact O-N 3.1Å; V101-A105 HydrophobicContact CG1-CB 4.26Å; V101-A105 WeakPolarHBondContact O-CA 3.46Å; V101-A105 VanDerWaalsContact O-CB 3.31Å; V101-A105 WeakPolarHBondContact O-CB 3.43Å; V101-A105 PolarHBondContact O-N 3.32Å; V101-G106 PolarHBondContact O-N 3.42Å; V101-F107 HydrophobicContact CG1-CD1 4.18Å; V101-F107 HydrophobicContact CG1-CD2 4.32Å; V101-F107 HydrophobicContact CG1-CE1 3.62Å; V101-F107 HydrophobicContact CG1-CE2 3.78Å; V101-F107 HydrophobicContact CG1-CG 4.49Å; V101-F107 HydrophobicContact CG1-CZ 3.38Å; V101-E109 HydrophobicContact CB-CG 4.15Å; V101-E109 HydrophobicContact CG1-CG 3.91Å; V101-E109 HydrophobicContact CG2-CG 4.24Å; V101-F125 HydrophobicContact CG1-CE2 4.34Å; V101-F125 HydrophobicContact CG1-CZ 4.35Å; V101-F125 HydrophobicContact CG2-CE1 4.32Å; V101-F125 HydrophobicContact CG2-CE2 4.44Å; V101-F125 HydrophobicContact CG2-CZ 3.82Å; V101-M146 HydrophobicContact CG2-SD 4.25Å
102A93.8Very high82.9Confident0 Ų011 Ų110%06%0.06CC..Hα-helixtrans-62.7-44.7175.400000112.1P98 G99 H100 G106 F107 Y108 Q324 A325P98-A102 PolarHBondContact O-N 2.91Å; G99-A102 PolarHBondContact O-N 3.49Å; H100-A102 VanDerWaalsContact C-N 3.33Å; H100-A102 PolarHBondContact O-N 3.26Å; A102-G106 WeakPolarHBondContact O-CA 3.5Å; A102-G106 PolarHBondContact O-N 2.93Å; A102-F107 VanDerWaalsContact CA-O 3.29Å; A102-F107 WeakPolarHBondContact CA-O 3.23Å; A102-F107 PolarHBondContact N-O 3.35Å; A102-Y108 HydrophobicContact CB-CD1 4Å; A102-Y108 HydrophobicContact CB-CE1 3.96Å; A102-Q324 HydrophobicContact CB-CB 4.36Å; A102-Q324 HydrophobicContact CB-CG 4.04Å; A102-A325 WeakPolarHBondContact O-CA 3.39Å
103L97Very high82.2Confident0 Ų011.6 Ų11.60%07%0.065CC..Hα-helixtrans-61.9-44.6178.9-72.8172.2000113.1V52 G99 H100 T262 D264 Q324 I327 A328 M331V52-L103 HydrophobicContact CG1-CD1 4.24Å; V52-L103 HydrophobicContact CG2-CD1 4.02Å; G99-L103 VanDerWaalsContact O-CG 3.29Å; G99-L103 WeakPolarHBondContact O-CG 3.47Å; G99-L103 PolarHBondContact O-N 3.43Å; H100-L103 PolarHBondContact O-N 3.01Å; L103-T262 HydrophobicContact CD1-CG2 4.06Å; L103-T262 HydrophobicContact CD2-CG2 3.77Å; L103-D264 HydrophobicContact CD1-CB 4.2Å; L103-Q324 HydrophobicContact CD2-CG 3.47Å; L103-Q324 VanDerWaalsContact CD2-CG 3.47Å; L103-Q324 HydrophobicContact CG-CG 3.72Å; L103-I327 HydrophobicContact CD2-CB 4.18Å; L103-I327 HydrophobicContact CD2-CD1 3.31Å; L103-I327 HydrophobicContact CD2-CG1 4.3Å; L103-I327 HydrophobicContact CD2-CG2 4.24Å; L103-A328 PolarHBondContact O-N 2.9Å; L103-M331 WeakPolarHBondContact O-CE 3.25Å
104I96.4Very high81.2Confident0 Ų011.5 Ų11.50%06%0.064CC..Hα-helixtrans-101-33.7-165.2-65.7159.6000112.2L50 H100 V128 F129 F147 F209L50-I104 HydrophobicContact CD2-CD1 4.2Å; L50-I104 HydrophobicContact CD2-CG1 3.82Å; H100-I104 HydrophobicContact CB-CD1 4.5Å; H100-I104 WeakPolarHBondContact O-CB 3.27Å; H100-I104 PolarHBondContact O-N 2.98Å; I104-V128 HydrophobicContact CG2-CG2 3.93Å; I104-V128 WeakPolarHBondContact O-CG2 3.36Å; I104-V128 PolarHBondContact O-N 2.95Å; I104-F129 HydrophobicContact CD1-CE2 3.81Å; I104-F129 HydrophobicContact CD1-CZ 3.63Å; I104-F129 HydrophobicContact CG1-CE1 4.33Å; I104-F129 HydrophobicContact CG1-CE2 4.38Å; I104-F129 HydrophobicContact CG1-CZ 3.89Å; I104-F129 HydrophobicContact CG2-CD1 4.02Å; I104-F129 HydrophobicContact CG2-CD2 3.97Å; I104-F129 HydrophobicContact CG2-CE1 3.94Å; I104-F129 HydrophobicContact CG2-CE2 3.9Å; I104-F129 HydrophobicContact CG2-CG 4.01Å; I104-F129 HydrophobicContact CG2-CZ 3.88Å; I104-F147 HydrophobicContact CB-CD1 4.41Å; I104-F147 HydrophobicContact CB-CE1 3.72Å; I104-F147 HydrophobicContact CB-CZ 4.01Å; I104-F147 HydrophobicContact CD1-CD2 4.33Å; I104-F147 HydrophobicContact CD1-CE1 4.05Å; I104-F147 HydrophobicContact CD1-CE2 3.73Å; I104-F147 HydrophobicContact CD1-CZ 3.58Å; I104-F147 HydrophobicContact CG1-CZ 4.38Å; I104-F147 HydrophobicContact CG2-CD1 3.75Å; I104-F147 HydrophobicContact CG2-CE1 3.55Å; I104-F147 HydrophobicContact CG2-CZ 4.23Å; I104-F209 HydrophobicContact CD1-CE1 4.43Å; I104-F209 HydrophobicContact CD1-CZ 4.27Å
105A94Very high79.4Confident0 Ų014.7 Ų14.70%09%0.091CC..Hα-helixtrans-105.2-12.7177.700000113.6V101 F107 F125 D126 P340V101-A105 HydrophobicContact CG1-CB 4.26Å; V101-A105 WeakPolarHBondContact O-CA 3.46Å; V101-A105 VanDerWaalsContact O-CB 3.31Å; V101-A105 WeakPolarHBondContact O-CB 3.43Å; V101-A105 PolarHBondContact O-N 3.32Å; A105-F107 VanDerWaalsContact C-N 3.33Å; A105-F107 HydrophobicContact CB-CD1 3.65Å; A105-F107 HydrophobicContact CB-CE1 3.51Å; A105-F107 PolarHBondContact O-N 3.45Å; A105-F125 HydrophobicContact CB-CD2 3.65Å; A105-F125 HydrophobicContact CB-CE2 3.78Å; A105-D126 VanDerWaalsContact CB-O 3.3Å; A105-D126 WeakPolarHBondContact CB-O 3.47Å; A105-P340 WeakPolarHBondContact O-CB 3.45Å
106G94.4Very high77.7Confident0 Ų020.5 Ų20.50%012%0.115CC..SBendtrans7420.517300000114.5V101 A102 A325 S343 V344V101-G106 PolarHBondContact O-N 3.42Å; A102-G106 WeakPolarHBondContact O-CA 3.5Å; A102-G106 PolarHBondContact O-N 2.93Å; G106-A325 WeakPolarHBondContact CA-O 3.49Å; G106-A325 WeakPolarHBondContact O-CB 3.21Å; G106-S343 CarbonylContact O-C 3.56Å; G106-S343 VanDerWaalsContact O-CA 3.28Å; G106-S343 WeakPolarHBondContact O-CA 3.43Å; G106-S343 PolarHBondContact O-OG 2.71Å; G106-V344 PolarHBondContact O-N 3.44Å
107F90.8Very high75.5Confident6 Ų620.5 Ų20.53%0.02612%0.118CC..SBendtrans-134.4157.6173.876.5-88000111.5P29 L30 V101 A102 A105 E109 F125 N342P29-F107 HydrophobicContact CG-CD2 4.42Å; L30-F107 HydrophobicContact CD2-CD1 4.38Å; L30-F107 HydrophobicContact CD2-CD2 4.21Å; L30-F107 HydrophobicContact CD2-CE1 4.01Å; L30-F107 HydrophobicContact CD2-CE2 3.84Å; L30-F107 HydrophobicContact CD2-CG 4.49Å; L30-F107 HydrophobicContact CD2-CZ 3.74Å; V101-F107 HydrophobicContact CG1-CD1 4.18Å; V101-F107 HydrophobicContact CG1-CD2 4.32Å; V101-F107 HydrophobicContact CG1-CE1 3.62Å; V101-F107 HydrophobicContact CG1-CE2 3.78Å; V101-F107 HydrophobicContact CG1-CG 4.49Å; V101-F107 HydrophobicContact CG1-CZ 3.38Å; A102-F107 VanDerWaalsContact CA-O 3.29Å; A102-F107 WeakPolarHBondContact CA-O 3.23Å; A102-F107 PolarHBondContact N-O 3.35Å; A105-F107 VanDerWaalsContact C-N 3.33Å; A105-F107 HydrophobicContact CB-CD1 3.65Å; A105-F107 HydrophobicContact CB-CE1 3.51Å; A105-F107 PolarHBondContact O-N 3.45Å; F107-E109 HydrophobicContact CE2-CG 4.27Å; F107-F125 HydrophobicContact CE1-CB 3.8Å; F107-F125 AromaticContact CE1-CD2 3.73Å; F107-F125 HydrophobicContact CE1-CD2 3.73Å; F107-F125 HydrophobicContact CE1-CE2 4.47Å; F107-F125 AromaticContact CE1-CG 3.76Å; F107-F125 HydrophobicContact CE1-CG 3.76Å; F107-F125 HydrophobicContact CZ-CB 3.9Å; F107-F125 HydrophobicContact CZ-CD1 4.12Å; F107-F125 HydrophobicContact CZ-CD2 4.12Å; F107-F125 AromaticContact CZ-CG 3.77Å; F107-F125 HydrophobicContact CZ-CG 3.77Å; F107-N342 WeakPolarHBondContact CB-O 3.38Å; F107-N342 HydrophobicContact CD1-CB 4.31Å
108Y86Confident73.4Confident29 Ų2927.3 Ų27.311%0.11414%0.144CC..  trans-94.7128.8177-56.9-75.5000109R91 A102 A325 V344R91-Y108 HydrophobicContact CB-CD1 4Å; R91-Y108 HydrophobicContact CB-CE1 3.98Å; R91-Y108 HydrophobicContact CG-CD1 4.03Å; R91-Y108 HydrophobicContact CG-CE1 3.61Å; R91-Y108 VanDerWaalsContact NE-CZ 3.32Å; R91-Y108 PolarHBondContact NE-OH 3.15Å; R91-Y108 VanDerWaalsContact NH1-CE2 3.3Å; A102-Y108 HydrophobicContact CB-CD1 4Å; A102-Y108 HydrophobicContact CB-CE1 3.96Å; Y108-A325 HydrophobicContact CE1-CB 4.39Å; Y108-A325 HydrophobicContact CE2-CB 3.72Å; Y108-A325 PolarHBondContact OH-N 2.86Å; Y108-V344 HydrophobicContact CD2-CG2 4.17Å; Y108-V344 HydrophobicContact CE2-CG2 4.2Å
109E75.1Confident71.1Confident8 Ų833.3 Ų33.34%0.03717%0.169CC..  trans-59.4168.2175.3-69.8-16679.600111.7R97 V101 F107 N121 W887R97-E109 IonicContact CZ-OE1 3.54Å; R97-E109 IonicContact CZ-OE2 2.65Å; R97-E109 IonicContact NE-OE1 3.9Å; R97-E109 PolarHBondContact NE-OE1 3.2Å; R97-E109 IonicContact NE-OE2 3.52Å; R97-E109 PolarHBondContact NE-OE2 3.34Å; R97-E109 IonicContact NH2-OE1 3Å; R97-E109 PolarHBondContact NH2-OE1 3.33Å; R97-E109 IonicContact NH2-OE2 2.82Å; V101-E109 HydrophobicContact CB-CG 4.15Å; V101-E109 HydrophobicContact CG1-CG 3.91Å; V101-E109 HydrophobicContact CG2-CG 4.24Å; F107-E109 HydrophobicContact CE2-CG 4.27Å; E109-N121 PolarHBondContact OE1-ND2 2.85Å; E109-N121 VanDerWaalsContact OE1-ND2 3.16Å; E109-W887 WeakPolarHBondContact O-CZ2 3.29Å
110D65.2Low68.9Low21 Ų2138.3 Ų38.311%0.11219%0.192CC..  trans-104.2149.2172.9178.8-57.6000109.6F26 S112 A113 V114F26-D110 VanDerWaalsContact C-OD2 3.26Å; F26-D110 WeakPolarHBondContact CA-OD2 3.36Å; D110-S112 PolarHBondContact O-N 2.94Å; D110-S112 VanDerWaalsContact O-N 3.1Å; D110-S112 VanDerWaalsContact OD1-CB 3.3Å; D110-S112 WeakPolarHBondContact OD1-CB 3.25Å; D110-S112 PolarHBondContact OD1-N 3.39Å; D110-S112 PolarHBondContact OD1-OG 3.43Å; D110-A113 WeakPolarHBondContact O-CB 3.2Å; D110-A113 PolarHBondContact O-N 3.39Å; D110-V114 PolarHBondContact O-N 2.9Å
111V56.5Low66.8Low27 Ų2739.7 Ų39.716%0.16420%0.199CC..Hα-helixtrans-50.8-37.3179-168.10000111.9F26 A113 V114 A115 W887 I890 I894F26-V111 HydrophobicContact CD1-CG2 4.02Å; F26-V111 HydrophobicContact CE1-CG2 3.96Å; V111-A113 VanDerWaalsContact C-N 3.32Å; V111-A113 PolarHBondContact O-N 3.18Å; V111-V114 PolarHBondContact O-N 3.44Å; V111-A115 WeakPolarHBondContact O-CB 3.42Å; V111-A115 PolarHBondContact O-N 3.11Å; V111-W887 VanDerWaalsContact CA-CH2 3.41Å; V111-W887 HydrophobicContact CB-CE3 4.39Å; V111-W887 HydrophobicContact CB-CH2 4.16Å; V111-W887 HydrophobicContact CB-CZ3 3.56Å; V111-W887 HydrophobicContact CG1-CZ3 4.05Å; V111-W887 HydrophobicContact CG2-CE3 3.42Å; V111-W887 VanDerWaalsContact CG2-CE3 3.42Å; V111-W887 HydrophobicContact CG2-CH2 3.9Å; V111-W887 HydrophobicContact CG2-CZ3 3.04Å; V111-I890 HydrophobicContact CG2-CG2 3.62Å; V111-I894 HydrophobicContact CB-CD1 3.98Å; V111-I894 HydrophobicContact CG1-CD1 3.68Å; V111-I894 HydrophobicContact CG2-CD1 3.62Å
112S52.9Low64.9Low17 Ų1743.1 Ų43.112%0.11922%0.222CC..Hα-helixtrans-68.1-27.917966.40000113.3D110 K116D110-S112 PolarHBondContact O-N 2.94Å; D110-S112 VanDerWaalsContact O-N 3.1Å; D110-S112 VanDerWaalsContact OD1-CB 3.3Å; D110-S112 WeakPolarHBondContact OD1-CB 3.25Å; D110-S112 PolarHBondContact OD1-N 3.39Å; D110-S112 PolarHBondContact OD1-OG 3.43Å; S112-K116 WeakPolarHBondContact O-CB 3.41Å; S112-K116 WeakPolarHBondContact O-CD 3.44Å; S112-K116 WeakPolarHBondContact O-CG 3.39Å; S112-K116 PolarHBondContact O-N 3.31Å
113A53.8Low63.3Low16 Ų1646 Ų4613%0.13224%0.239CC..Hα-helixtrans-76.9-32.8175.200000111.7R97 D110 V111R97-A113 PolarHBondContact NH2-O 3.44Å; R97-A113 VanDerWaalsContact NH2-O 3.14Å; D110-A113 WeakPolarHBondContact O-CB 3.2Å; D110-A113 PolarHBondContact O-N 3.39Å; V111-A113 VanDerWaalsContact C-N 3.32Å; V111-A113 PolarHBondContact O-N 3.18Å
114V49.6Very low62.1Low20 Ų2053.3 Ų53.312%0.12127%0.273CS..Hα-helixtrans-71.2-40.1172.6-175.90000111R97 P98 D110 V111 K116 G117 W887R97-V114 VanDerWaalsContact NH2-CA 3.34Å; P98-V114 HydrophobicContact CG-CG2 4.28Å; D110-V114 PolarHBondContact O-N 2.9Å; V111-V114 PolarHBondContact O-N 3.44Å; V114-K116 PolarHBondContact O-N 3.06Å; V114-G117 CarbonylContact O-C 3.46Å; V114-W887 HydrophobicContact CG2-CH2 4.18Å
115A43.3Very low61.5Low68 Ų6854.1 Ų54.156%0.56228%0.277SS*.Hα-helixtrans-71-26.3179.400000114.3V111V111-A115 WeakPolarHBondContact O-CB 3.42Å; V111-A115 PolarHBondContact O-N 3.11Å
116K45.8Very low61.3Low163 Ų16355.1 Ų55.171%0.70928%0.282SS*.Hα-helixtrans-82.4-18.7-178.4-78.4172.2-174.9171.50114.1S112 V114 P122S112-K116 WeakPolarHBondContact O-CB 3.41Å; S112-K116 WeakPolarHBondContact O-CD 3.44Å; S112-K116 WeakPolarHBondContact O-CG 3.39Å; S112-K116 PolarHBondContact O-N 3.31Å; V114-K116 PolarHBondContact O-N 3.06Å; K116-P122 HydrophobicContact CB-CG 4.22Å
117G41.8Very low61.2Low21 Ų2155.1 Ų55.122%0.21628%0.282CS..  trans-168.3124.2173.900000109R97 V114R97-G117 PolarHBondContact NH1-O 3.32Å; V114-G117 CarbonylContact O-C 3.46Å
118W39.7Very low61.4Low163 Ų16354.9 Ų54.962%0.61728%0.281SS*.SBendtrans-80.7-28.7-179.9-79.673.3000112.4R97R97-W118 PolarHBondContact NH1-O 3.07Å
119K38.4Very low61.8Low138 Ų13853.5 Ų53.560%0.628%0.276SS*.SBendtrans-102.3-19.8-174.4-68.6-169.3161.8-107.20115.3D142K119-D142 IonicContact NZ-OD1 3.24Å; K119-D142 PolarHBondContact NZ-OD1 3.49Å; K119-D142 IonicContact NZ-OD2 3.58Å; K119-D142 PolarHBondContact NZ-OD2 3.33Å
120E47Very low62.6Low108 Ų10853.8 Ų53.851%0.50528%0.278SS..SBendtrans-141.1138.9-177.6-65-170.1161.100110.2P122 K149E120-P122 WeakPolarHBondContact O-CD 3.43Å; E120-K149 IonicContact OE1-NZ 3.16Å; E120-K149 PolarHBondContact OE1-NZ 3.17Å; E120-K149 IonicContact OE2-NZ 3.6Å
121N48.8Very low63.9Low28 Ų2855.2 Ų55.215%0.1528%0.283CS..  trans-71.4123.1172.5-167.6-29.6000108.6E109 V123 F125E109-N121 PolarHBondContact OE1-ND2 2.85Å; E109-N121 VanDerWaalsContact OE1-ND2 3.16Å; N121-V123 PolarHBondContact O-N 2.93Å; N121-V123 PolarHBondContact OD1-N 2.78Å; N121-V123 PolarHBondContact OD1-O 3.27Å; N121-F125 HydrophobicContact CB-CE1 3.98Å; N121-F125 WeakPolarHBondContact ND2-CD1 3.38Å; N121-F125 VanDerWaalsContact ND2-CE1 3.25Å; N121-F125 WeakPolarHBondContact ND2-CE1 3.3Å
122P52.8Low65.7Low73 Ų7354.4 Ų54.447%0.47428%0.279SS..SBendtrans-71.3-7.9-179.128.4-35.6000114K116 E120K116-P122 HydrophobicContact CB-CG 4.22Å; E120-P122 WeakPolarHBondContact O-CD 3.43Å
123V59.7Low67.7Low59 Ų5959 Ų5936%0.35829%0.294SS..SBendtrans-127.6128.9-177.3-171.50000109.9L30 N121 F125L30-V123 HydrophobicContact CD1-CB 4.1Å; L30-V123 HydrophobicContact CD1-CG1 3.61Å; N121-V123 PolarHBondContact O-N 2.93Å; N121-V123 PolarHBondContact OD1-N 2.78Å; N121-V123 PolarHBondContact OD1-O 3.27Å; V123-F125 WeakPolarHBondContact O-CD1 3.27Å
124E72.8Confident69.7Low154 Ų15458.6 Ų58.672%0.7229%0.29SS*.  trans-65.3137.7173.8-67.2175.117800110.6
125F83.1Confident71.9Confident17 Ų1757.7 Ų57.78%0.07529%0.285CS..  trans-138.3153.4178.259.7-93.6000110.5L30 V101 A105 F107 N121 V123 F147L30-F125 HydrophobicContact CD1-CB 4.31Å; L30-F125 HydrophobicContact CD2-CB 4.3Å; V101-F125 HydrophobicContact CG1-CE2 4.34Å; V101-F125 HydrophobicContact CG1-CZ 4.35Å; V101-F125 HydrophobicContact CG2-CE1 4.32Å; V101-F125 HydrophobicContact CG2-CE2 4.44Å; V101-F125 HydrophobicContact CG2-CZ 3.82Å; A105-F125 HydrophobicContact CB-CD2 3.65Å; A105-F125 HydrophobicContact CB-CE2 3.78Å; F107-F125 HydrophobicContact CE1-CB 3.8Å; F107-F125 AromaticContact CE1-CD2 3.73Å; F107-F125 HydrophobicContact CE1-CD2 3.73Å; F107-F125 HydrophobicContact CE1-CE2 4.47Å; F107-F125 AromaticContact CE1-CG 3.76Å; F107-F125 HydrophobicContact CE1-CG 3.76Å; F107-F125 HydrophobicContact CZ-CB 3.9Å; F107-F125 HydrophobicContact CZ-CD1 4.12Å; F107-F125 HydrophobicContact CZ-CD2 4.12Å; F107-F125 AromaticContact CZ-CG 3.77Å; F107-F125 HydrophobicContact CZ-CG 3.77Å; N121-F125 HydrophobicContact CB-CE1 3.98Å; N121-F125 WeakPolarHBondContact ND2-CD1 3.38Å; N121-F125 VanDerWaalsContact ND2-CE1 3.25Å; N121-F125 WeakPolarHBondContact ND2-CE1 3.3Å; V123-F125 WeakPolarHBondContact O-CD1 3.27Å; F125-F147 HydrophobicContact CE2-CD1 4.14Å; F125-F147 AromaticContact CE2-CE1 3.85Å; F125-F147 HydrophobicContact CE2-CE1 3.85Å; F125-F147 HydrophobicContact CZ-CD1 4.34Å; F125-F147 HydrophobicContact CZ-CE1 4.03Å
126D89.1Confident74.5Confident22 Ų2254.9 Ų54.912%0.11826%0.26CS..  trans-81.2150.3176.4-178.831.1000111.3A105 N130 P340 V341A105-D126 VanDerWaalsContact CB-O 3.3Å; A105-D126 WeakPolarHBondContact CB-O 3.47Å; D126-N130 VanDerWaalsContact OD1-CB 3.28Å; D126-N130 WeakPolarHBondContact OD1-CB 3.48Å; D126-P340 VanDerWaalsContact OD2-CA 3.27Å; D126-P340 WeakPolarHBondContact OD2-CA 3.3Å; D126-V341 HydrophobicContact CB-CG2 3.8Å; D126-V341 PolarHBondContact OD2-N 3.44Å
127S93Very high76.9Confident0 Ų047.2 Ų47.20%023%0.226CC..  trans-153.7168.4-175.782.60000112.7F129 N130 E131S127-F129 PolarHBondContact O-N 3.02Å; S127-F129 VanDerWaalsContact O-N 3.11Å; S127-F129 PolarHBondContact OG-N 3.31Å; S127-N130 WeakPolarHBondContact CB-OD1 3.29Å; S127-N130 PolarHBondContact N-OD1 2.95Å; S127-N130 VanDerWaalsContact O-CB 3.32Å; S127-N130 WeakPolarHBondContact O-CB 3.38Å; S127-N130 PolarHBondContact O-N 3.31Å; S127-N130 PolarHBondContact OG-N 3.48Å; S127-N130 PolarHBondContact OG-OD1 3.2Å; S127-E131 PolarHBondContact O-N 3.38Å
128V95.2Very high79.6Confident0 Ų046.3 Ų46.30%022%0.216CC..THydrogen-bonded Turntrans-62.2-22177.2-62.20000113I104 S132 I207 A328 M331 A332 L337 P340I104-V128 HydrophobicContact CG2-CG2 3.93Å; I104-V128 WeakPolarHBondContact O-CG2 3.36Å; I104-V128 PolarHBondContact O-N 2.95Å; V128-S132 PolarHBondContact O-N 2.82Å; V128-I207 HydrophobicContact CB-CD1 4.43Å; V128-I207 HydrophobicContact CG2-CD1 4.3Å; V128-I207 WeakPolarHBondContact O-CD1 3.22Å; V128-A328 HydrophobicContact CG1-CB 4.29Å; V128-M331 HydrophobicContact CG1-CB 4.33Å; V128-M331 HydrophobicContact CG1-CE 4.32Å; V128-M331 HydrophobicContact CG2-CE 3.55Å; V128-M331 HydrophobicContact CG2-SD 4.28Å; V128-A332 HydrophobicContact CG1-CB 4.44Å; V128-L337 HydrophobicContact CB-CD1 4.4Å; V128-L337 VanDerWaalsContact O-CD1 3.29Å; V128-L337 WeakPolarHBondContact O-CD1 3.45Å; V128-P340 HydrophobicContact CG1-CG 3.78Å
129F94.9Very high82.2Confident0 Ų038.5 Ų38.50%019%0.187CC..THydrogen-bonded Turntrans-74.9-38.7175.6-61-9.6000111.1L50 I104 S127 E131 S132 T135 F147 H155 V156 I207 F209L50-F129 HydrophobicContact CD2-CE1 4.27Å; L50-F129 HydrophobicContact CD2-CZ 4.11Å; I104-F129 HydrophobicContact CD1-CE2 3.81Å; I104-F129 HydrophobicContact CD1-CZ 3.63Å; I104-F129 HydrophobicContact CG1-CE1 4.33Å; I104-F129 HydrophobicContact CG1-CE2 4.38Å; I104-F129 HydrophobicContact CG1-CZ 3.89Å; I104-F129 HydrophobicContact CG2-CD1 4.02Å; I104-F129 HydrophobicContact CG2-CD2 3.97Å; I104-F129 HydrophobicContact CG2-CE1 3.94Å; I104-F129 HydrophobicContact CG2-CE2 3.9Å; I104-F129 HydrophobicContact CG2-CG 4.01Å; I104-F129 HydrophobicContact CG2-CZ 3.88Å; S127-F129 PolarHBondContact O-N 3.02Å; S127-F129 VanDerWaalsContact O-N 3.11Å; S127-F129 PolarHBondContact OG-N 3.31Å; F129-E131 VanDerWaalsContact C-N 3.27Å; F129-E131 PolarHBondContact O-N 3.03Å; F129-S132 WeakPolarHBondContact O-CB 3.46Å; F129-S132 PolarHBondContact O-N 2.9Å; F129-S132 PolarHBondContact O-OG 3.37Å; F129-T135 HydrophobicContact CB-CG2 4.3Å; F129-T135 HydrophobicContact CD1-CG2 3.92Å; F129-T135 HydrophobicContact CD2-CG2 4.08Å; F129-T135 HydrophobicContact CE1-CG2 4.3Å; F129-T135 HydrophobicContact CE2-CG2 4.43Å; F129-T135 HydrophobicContact CG-CG2 3.84Å; F129-F147 HydrophobicContact CD2-CB 3.73Å; F129-F147 HydrophobicContact CD2-CD1 4.33Å; F129-F147 HydrophobicContact CD2-CG 4Å; F129-F147 HydrophobicContact CE2-CB 4.23Å; F129-F147 HydrophobicContact CE2-CD2 4.36Å; F129-F147 HydrophobicContact CE2-CG 4.15Å; F129-H155 PolarHBondContact O-CE1 3.39Å; F129-V156 HydrophobicContact CB-CG2 4.27Å; F129-I207 HydrophobicContact CD1-CD1 3.98Å; F129-I207 HydrophobicContact CD1-CG2 4.06Å; F129-I207 HydrophobicContact CE1-CD1 4.48Å; F129-I207 HydrophobicContact CE1-CG2 3.79Å; F129-F209 HydrophobicContact CE1-CB 4.45Å; F129-F209 HydrophobicContact CE2-CB 4.36Å; F129-F209 AromaticContact CE2-CD1 3.79Å; F129-F209 HydrophobicContact CE2-CD1 3.79Å; F129-F209 HydrophobicContact CE2-CE1 4.38Å; F129-F209 HydrophobicContact CE2-CG 4.16Å; F129-F209 HydrophobicContact CZ-CB 3.8Å; F129-F209 AromaticContact CZ-CD1 3.8Å; F129-F209 HydrophobicContact CZ-CD1 3.8Å; F129-F209 HydrophobicContact CZ-CD2 4.28Å; F129-F209 HydrophobicContact CZ-CE1 4.47Å; F129-F209 AromaticContact CZ-CG 3.69Å; F129-F209 HydrophobicContact CZ-CG 3.69Å
130N91.5Very high84.7Confident15 Ų1532.1 Ų32.18%0.0816%0.159CC..THydrogen-bonded Turntrans-59-41.3173.6-66.870000111.6D126 S127 S132 G150 A151 H155D126-N130 VanDerWaalsContact OD1-CB 3.28Å; D126-N130 WeakPolarHBondContact OD1-CB 3.48Å; S127-N130 WeakPolarHBondContact CB-OD1 3.29Å; S127-N130 PolarHBondContact N-OD1 2.95Å; S127-N130 VanDerWaalsContact O-CB 3.32Å; S127-N130 WeakPolarHBondContact O-CB 3.38Å; S127-N130 PolarHBondContact O-N 3.31Å; S127-N130 PolarHBondContact OG-N 3.48Å; S127-N130 PolarHBondContact OG-OD1 3.2Å; N130-S132 VanDerWaalsContact C-N 3.3Å; N130-S132 PolarHBondContact O-N 2.81Å; N130-G150 PolarHBondContact ND2-O 3.41Å; N130-A151 WeakPolarHBondContact ND2-CA 3.47Å; N130-H155 PolarHBondContact O-CE1 3.45Å; N130-H155 VanDerWaalsContact O-CE1 3.31Å
131E92.7Very high86.5Confident50 Ų5028.4 Ų28.423%0.23415%0.145CC..THydrogen-bonded Turntrans-83.3-7.6-176.3-66.5-60151.300113.4S127 F129 L337 P338S127-E131 PolarHBondContact O-N 3.38Å; F129-E131 VanDerWaalsContact C-N 3.27Å; F129-E131 PolarHBondContact O-N 3.03Å; E131-L337 HydrophobicContact CB-CB 4.14Å; E131-L337 HydrophobicContact CB-CD1 4.27Å; E131-L337 WeakPolarHBondContact O-CD2 3.34Å; E131-P338 HydrophobicContact CG-CB 4.16Å; E131-P338 WeakPolarHBondContact OE2-CB 3.29Å; E131-P338 WeakPolarHBondContact OE2-CD 3.43Å; E131-P338 WeakPolarHBondContact OE2-CG 3.46Å
132S94.1Very high88Confident10 Ų1030.2 Ų30.27%0.0715%0.154CC..SBendtrans-77161177.178.80000112.3V128 F129 N130 T135 K205V128-S132 PolarHBondContact O-N 2.82Å; F129-S132 WeakPolarHBondContact O-CB 3.46Å; F129-S132 PolarHBondContact O-N 2.9Å; F129-S132 PolarHBondContact O-OG 3.37Å; N130-S132 VanDerWaalsContact C-N 3.3Å; N130-S132 PolarHBondContact O-N 2.81Å; S132-T135 PolarHBondContact OG-OG1 2.97Å; S132-K205 WeakPolarHBondContact CB-O 3.38Å
133R94.5Very high89.6Confident113 Ų11327.1 Ų27.143%0.42613%0.134SC..SBendtrans-73.6-44.1171.1-179.2-179.9-61.7-86.30.4111.7H155 E203 D204 K205R133-H155 WeakPolarHBondContact O-CB 3.11Å; R133-E203 WeakPolarHBondContact CD-OE2 3.41Å; R133-E203 IonicContact NE-OE2 3.73Å; R133-D204 WeakPolarHBondContact CB-O 3.42Å; R133-D204 VanDerWaalsContact CD-O 3.29Å; R133-D204 WeakPolarHBondContact CD-O 3.22Å; R133-D204 IonicContact CZ-OD1 3.78Å; R133-D204 PolarHBondContact NE-O 2.97Å; R133-D204 VanDerWaalsContact NE-O 3.11Å; R133-D204 IonicContact NE-OD1 3.71Å; R133-D204 PolarHBondContact NE-OD1 3.23Å; R133-D204 IonicContact NH2-OD1 3.65Å; R133-D204 PolarHBondContact NH2-OD1 3.44Å; R133-K205 HydrophobicContact CB-CB 3.88Å; R133-K205 PolarHBondContact N-O 3.09Å
134S95.4Very high91.1Very high9 Ų924.4 Ų24.46%0.06312%0.117CC..EExtended strand (participates in β ladder)trans-153.4138.7175.8-70.30000109.5H155 N206 I207S134-H155 WeakPolarHBondContact CA-O 3.35Å; S134-N206 WeakPolarHBondContact O-CA 3.36Å; S134-I207 PolarHBondContact O-N 3.23Å
135T96.7Very high91.7Very high0 Ų018.9 Ų18.90%010%0.095CC..EExtended strand (participates in β ladder)trans-123.8129.9175.2-62.20000109.6F129 S132 C137 H155 V156 Y157 I207F129-T135 HydrophobicContact CB-CG2 4.3Å; F129-T135 HydrophobicContact CD1-CG2 3.92Å; F129-T135 HydrophobicContact CD2-CG2 4.08Å; F129-T135 HydrophobicContact CE1-CG2 4.3Å; F129-T135 HydrophobicContact CE2-CG2 4.43Å; F129-T135 HydrophobicContact CG-CG2 3.84Å; S132-T135 PolarHBondContact OG-OG1 2.97Å; T135-C137 WeakPolarHBondContact CG2-SG 3.5Å; T135-H155 PolarHBondContact N-O 3.37Å; T135-V156 HydrophobicContact CG2-CG1 4.44Å; T135-V156 WeakPolarHBondContact O-CA 3.4Å; T135-Y157 PolarHBondContact O-N 3.28Å; T135-I207 CarbonylContact C-O 3.54Å; T135-I207 VanDerWaalsContact CA-O 3.28Å; T135-I207 WeakPolarHBondContact CA-O 3.37Å; T135-I207 HydrophobicContact CG2-CB 4.12Å; T135-I207 HydrophobicContact CG2-CG2 4.12Å
136W97.3Very high91.7Very high10 Ų1019.1 Ų19.14%0.03810%0.096CC..EExtended strand (participates in β ladder)trans-112.8122.7169.9-61.9-89.9000109.9W138 Y157 F187 T200 L201 N206 I207 F208 F209W136-W138 HydrophobicContact CB-CH2 3.43Å; W136-W138 VanDerWaalsContact CB-CH2 3.43Å; W136-W138 HydrophobicContact CB-CZ2 3.95Å; W136-W138 HydrophobicContact CB-CZ3 3.82Å; W136-W138 HydrophobicContact CG-CH2 4.34Å; W136-W138 WeakPolarHBondContact O-CZ3 3.5Å; W136-Y157 AromaticContact CD1-CD2 3.61Å; W136-Y157 HydrophobicContact CD2-CD2 4.45Å; W136-Y157 AromaticContact CE2-CD2 3.92Å; W136-Y157 HydrophobicContact CG-CD2 4.28Å; W136-Y157 HydrophobicContact CZ2-CE2 4.44Å; W136-Y157 AromaticContact NE1-CD2 3.34Å; W136-Y157 VanDerWaalsContact NE1-CD2 3.34Å; W136-Y157 AromaticContact NE1-CE2 3.89Å; W136-F187 AromaticContact CD1-CE2 3.71Å; W136-F187 AromaticContact CD1-CZ 3.54Å; W136-F187 HydrophobicContact CD2-CZ 4Å; W136-F187 AromaticContact CE2-CZ 3.88Å; W136-F187 HydrophobicContact CG-CE1 4.46Å; W136-F187 HydrophobicContact CG-CE2 4.33Å; W136-F187 AromaticContact CG-CZ 3.81Å; W136-F187 HydrophobicContact CG-CZ 3.81Å; W136-F187 AromaticContact NE1-CE2 3.89Å; W136-F187 AromaticContact NE1-CZ 3.58Å; W136-T200 HydrophobicContact CH2-CG2 3.95Å; W136-T200 HydrophobicContact CZ2-CG2 3.9Å; W136-L201 HydrophobicContact CD2-CD2 4.28Å; W136-L201 HydrophobicContact CE3-CD2 4.06Å; W136-L201 HydrophobicContact CH2-CD2 3.57Å; W136-L201 HydrophobicContact CZ2-CD2 3.8Å; W136-L201 HydrophobicContact CZ3-CD2 3.71Å; W136-N206 HydrophobicContact CZ3-CB 3.96Å; W136-I207 PolarHBondContact N-O 2.91Å; W136-F208 HydrophobicContact CB-CD1 4.32Å; W136-F208 HydrophobicContact CD2-CE1 4.19Å; W136-F208 AromaticContact CE3-CD1 3.94Å; W136-F208 HydrophobicContact CE3-CD1 3.94Å; W136-F208 AromaticContact CE3-CE1 3.5Å; W136-F208 HydrophobicContact CE3-CE1 3.5Å; W136-F208 HydrophobicContact CE3-CZ 4.06Å; W136-F208 HydrophobicContact CZ3-CE1 4Å; W136-F208 HydrophobicContact CZ3-CZ 4.1Å; W136-F208 WeakPolarHBondContact O-CA 3.32Å; W136-F209 PolarHBondContact O-N 3.44Å
137C96.8Very high91.5Very high1 Ų118.2 Ų18.21%0.0079%0.091CC..EExtended strand (participates in β ladder)trans-116.7136.7-175.4-520000111.3T135 L144 Y157 T158 H159 F209T135-C137 WeakPolarHBondContact CG2-SG 3.5Å; C137-L144 HydrophobicContact CB-CD2 3.54Å; C137-L144 HydrophobicContact CB-CG 3.7Å; C137-Y157 PolarHBondContact N-O 2.85Å; C137-T158 HydrophobicContact CB-CG2 4.4Å; C137-H159 PolarHBondContact O-N 2.69Å; C137-F209 CarbonylContact C-O 3.55Å; C137-F209 VanDerWaalsContact CA-O 3.31Å; C137-F209 WeakPolarHBondContact CA-O 3.28Å; C137-F209 HydrophobicContact CB-CB 4.33Å; C137-F209 HydrophobicContact CB-CD1 4.03Å
138W97.6Very high91Very high2 Ų219.5 Ų19.51%0.00810%0.102CC..EExtended strand (participates in β ladder)trans-129131.8171.9-61.1-89.3000111.3W136 H159 W179 V180 Q183 V184 F187 F208 F209 L210 H211W136-W138 HydrophobicContact CB-CH2 3.43Å; W136-W138 VanDerWaalsContact CB-CH2 3.43Å; W136-W138 HydrophobicContact CB-CZ2 3.95Å; W136-W138 HydrophobicContact CB-CZ3 3.82Å; W136-W138 HydrophobicContact CG-CH2 4.34Å; W136-W138 WeakPolarHBondContact O-CZ3 3.5Å; W138-H159 WeakPolarHBondContact CA-O 3.48Å; W138-H159 VanDerWaalsContact CD1-CB 3.41Å; W138-H159 AromaticContact CD1-CD2 3.98Å; W138-H159 AromaticContact CD1-CG 3.88Å; W138-H159 HydrophobicContact CG-CB 4.24Å; W138-H159 AromaticContact NE1-CD2 3.5Å; W138-H159 PolarHBondContact NE1-CD2 3Å; W138-H159 AromaticContact NE1-CG 3.72Å; W138-W179 HydrophobicContact CB-CZ3 4.45Å; W138-V180 HydrophobicContact CB-CG1 3.85Å; W138-V180 HydrophobicContact CB-CG2 4.4Å; W138-Q183 VanDerWaalsContact CD1-CB 3.45Å; W138-Q183 HydrophobicContact CG-CB 4.32Å; W138-V184 HydrophobicContact CD2-CG2 3.75Å; W138-V184 HydrophobicContact CE3-CG2 3.65Å; W138-V184 HydrophobicContact CG-CG2 4.19Å; W138-V184 HydrophobicContact CZ3-CG2 4.06Å; W138-F187 AromaticContact CH2-CD1 3.91Å; W138-F187 HydrophobicContact CH2-CD1 3.91Å; W138-F187 HydrophobicContact CH2-CE1 4.14Å; W138-F187 HydrophobicContact CH2-CG 4.22Å; W138-F187 HydrophobicContact CZ2-CB 3.9Å; W138-F187 AromaticContact CZ2-CD1 3.81Å; W138-F187 HydrophobicContact CZ2-CD1 3.81Å; W138-F187 AromaticContact CZ2-CD2 3.98Å; W138-F187 HydrophobicContact CZ2-CD2 3.98Å; W138-F187 HydrophobicContact CZ2-CE1 4.28Å; W138-F187 HydrophobicContact CZ2-CE2 4.42Å; W138-F187 AromaticContact CZ2-CG 3.63Å; W138-F187 HydrophobicContact CZ2-CG 3.63Å; W138-F208 HydrophobicContact CH2-CD1 4.04Å; W138-F208 HydrophobicContact CZ3-CB 4.32Å; W138-F208 HydrophobicContact CZ3-CD1 4.11Å; W138-F209 PolarHBondContact N-O 3.14Å; W138-L210 HydrophobicContact CE3-CD1 4.09Å; W138-L210 HydrophobicContact CZ3-CD1 4.28Å; W138-H211 PolarHBondContact O-N 2.89Å
139G94.8Very high89.7Confident0 Ų025.8 Ų25.80%013%0.129CC..EExtended strand (participates in β ladder)trans150.3-139.2175.300000114.9H159 T160 H211G139-H159 PolarHBondContact N-O 3.32Å; G139-H159 VanDerWaalsContact N-O 3.11Å; G139-T160 VanDerWaalsContact O-CA 3.26Å; G139-T160 WeakPolarHBondContact O-CA 3.12Å; G139-T160 WeakPolarHBondContact O-CB 3.28Å; G139-H211 WeakPolarHBondContact CA-O 3.45Å
140S89.9Confident88Confident3 Ų326.5 Ų26.52%0.02114%0.137CC..  trans-71.3138.8-168.9175.30000113.3D142 I143 L144 Y161 E166 H211S140-D142 PolarHBondContact O-N 3.13Å; S140-D142 PolarHBondContact OG-N 3.43Å; S140-D142 VanDerWaalsContact OG-N 3.08Å; S140-I143 PolarHBondContact O-N 2.92Å; S140-L144 PolarHBondContact O-N 3.36Å; S140-Y161 VanDerWaalsContact CA-OH 3.3Å; S140-Y161 WeakPolarHBondContact CA-OH 3.37Å; S140-Y161 WeakPolarHBondContact CB-OH 3.34Å; S140-Y161 PolarHBondContact N-OH 3.23Å; S140-E166 WeakPolarHBondContact CB-OE1 2.96Å; S140-E166 PolarHBondContact OG-OE1 2.79Å; S140-H211 PolarHBondContact N-ND1 3.39Å
141P85.4Confident86.6Confident31 Ų3126.5 Ų26.520%0.20114%0.139CC..THydrogen-bonded Turntrans-66.2-15.8170.329.9-36.2000114.2P145 T160 A163 E166P141-P145 VanDerWaalsContact O-CD 3.23Å; P141-P145 WeakPolarHBondContact O-CD 3.13Å; P141-P145 VanDerWaalsContact O-CG 3.31Å; P141-P145 WeakPolarHBondContact O-CG 3.44Å; P141-T160 HydrophobicContact CB-CG2 4.25Å; P141-A163 HydrophobicContact CG-CB 4.02Å; P141-E166 WeakPolarHBondContact CD-OE1 3.43Å
142D80.6Confident84.8Confident66 Ų6629.9 Ų29.935%0.35316%0.163SC..THydrogen-bonded Turntrans-85.4-17.9176.9-79.5-31.1000112.7K119 S140K119-D142 IonicContact NZ-OD1 3.24Å; K119-D142 PolarHBondContact NZ-OD1 3.49Å; K119-D142 IonicContact NZ-OD2 3.58Å; K119-D142 PolarHBondContact NZ-OD2 3.33Å; S140-D142 PolarHBondContact O-N 3.13Å; S140-D142 PolarHBondContact OG-N 3.43Å; S140-D142 VanDerWaalsContact OG-N 3.08Å
143I87.1Confident83.1Confident8 Ų831.6 Ų31.64%0.04118%0.182CC..THydrogen-bonded Turntrans-105.5-55.5-178.1-62.2-59.5000112.8H100 S140 M146 F147H100-I143 HydrophobicContact CB-CG2 4.45Å; S140-I143 PolarHBondContact O-N 2.92Å; I143-M146 VanDerWaalsContact CA-CE 3.49Å; I143-M146 HydrophobicContact CB-CE 4.15Å; I143-M146 HydrophobicContact CD1-CE 3.67Å; I143-M146 HydrophobicContact CG1-CE 4.49Å; I143-M146 HydrophobicContact CG2-CE 4.01Å; I143-M146 WeakPolarHBondContact O-CE 3.47Å; I143-M146 VanDerWaalsContact O-CG 3.3Å; I143-M146 WeakPolarHBondContact O-CG 3.43Å; I143-M146 PolarHBondContact O-N 3.07Å; I143-F147 HydrophobicContact CG2-CE2 4.35Å
144L89.9Confident82.3Confident1 Ų133.7 Ų33.71%0.00520%0.202CC..Hα-helixtrans-58.4-44.5-168.3-8961.5000114.5C137 S140 M146 F147 T158 T160 F209 H211C137-L144 HydrophobicContact CB-CD2 3.54Å; C137-L144 HydrophobicContact CB-CG 3.7Å; S140-L144 PolarHBondContact O-N 3.36Å; L144-M146 PolarHBondContact O-N 3.17Å; L144-M146 VanDerWaalsContact O-N 3.14Å; L144-F147 PolarHBondContact O-N 2.99Å; L144-T158 HydrophobicContact CB-CG2 3.89Å; L144-T160 HydrophobicContact CB-CG2 4.24Å; L144-T160 HydrophobicContact CD2-CG2 4.1Å; L144-F209 HydrophobicContact CD1-CE1 4.01Å; L144-H211 HydrophobicContact CD1-CB 3.85Å
145P86.9Confident82.1Confident38 Ų3834.7 Ų34.725%0.24721%0.206CC..Hα-helixtrans-61.6-24.4-175.7-27.137.7000114.5P141 F147 A148 K149P141-P145 VanDerWaalsContact O-CD 3.23Å; P141-P145 WeakPolarHBondContact O-CD 3.13Å; P141-P145 VanDerWaalsContact O-CG 3.31Å; P141-P145 WeakPolarHBondContact O-CG 3.44Å; P145-F147 VanDerWaalsContact C-N 3.3Å; P145-F147 PolarHBondContact O-N 3.18Å; P145-A148 PolarHBondContact O-N 2.8Å; P145-K149 WeakPolarHBondContact O-CB 3.29Å; P145-K149 WeakPolarHBondContact O-CG 3.39Å; P145-K149 PolarHBondContact O-N 3.4Å
146M83Confident81.9Confident22 Ų2235.5 Ų35.511%0.10821%0.211CC..Hα-helixtrans-65.2-36.1-177.787.7179.583.400112R97 V101 I143 L144 G150R97-M146 HydrophobicContact CB-CE 4.15Å; R97-M146 HydrophobicContact CG-CE 3.78Å; R97-M146 HydrophobicContact CG-SD 3.73Å; V101-M146 HydrophobicContact CG2-SD 4.25Å; I143-M146 VanDerWaalsContact CA-CE 3.49Å; I143-M146 HydrophobicContact CB-CE 4.15Å; I143-M146 HydrophobicContact CD1-CE 3.67Å; I143-M146 HydrophobicContact CG1-CE 4.49Å; I143-M146 HydrophobicContact CG2-CE 4.01Å; I143-M146 WeakPolarHBondContact O-CE 3.47Å; I143-M146 VanDerWaalsContact O-CG 3.3Å; I143-M146 WeakPolarHBondContact O-CG 3.43Å; I143-M146 PolarHBondContact O-N 3.07Å; L144-M146 PolarHBondContact O-N 3.17Å; L144-M146 VanDerWaalsContact O-N 3.14Å; M146-G150 PolarHBondContact O-N 2.79Å
147F84.6Confident81.7Confident3 Ų339.7 Ų39.71%0.01323%0.227CC..Hα-helixtrans-83.2-24.8179.1-62.4-77.9000112.6H100 I104 F125 F129 I143 L144 P145 A151H100-F147 HydrophobicContact CB-CE2 4.06Å; H100-F147 HydrophobicContact CB-CZ 3.98Å; I104-F147 HydrophobicContact CB-CD1 4.41Å; I104-F147 HydrophobicContact CB-CE1 3.72Å; I104-F147 HydrophobicContact CB-CZ 4.01Å; I104-F147 HydrophobicContact CD1-CD2 4.33Å; I104-F147 HydrophobicContact CD1-CE1 4.05Å; I104-F147 HydrophobicContact CD1-CE2 3.73Å; I104-F147 HydrophobicContact CD1-CZ 3.58Å; I104-F147 HydrophobicContact CG1-CZ 4.38Å; I104-F147 HydrophobicContact CG2-CD1 3.75Å; I104-F147 HydrophobicContact CG2-CE1 3.55Å; I104-F147 HydrophobicContact CG2-CZ 4.23Å; F125-F147 HydrophobicContact CE2-CD1 4.14Å; F125-F147 AromaticContact CE2-CE1 3.85Å; F125-F147 HydrophobicContact CE2-CE1 3.85Å; F125-F147 HydrophobicContact CZ-CD1 4.34Å; F125-F147 HydrophobicContact CZ-CE1 4.03Å; F129-F147 HydrophobicContact CD2-CB 3.73Å; F129-F147 HydrophobicContact CD2-CD1 4.33Å; F129-F147 HydrophobicContact CD2-CG 4Å; F129-F147 HydrophobicContact CE2-CB 4.23Å; F129-F147 HydrophobicContact CE2-CD2 4.36Å; F129-F147 HydrophobicContact CE2-CG 4.15Å; I143-F147 HydrophobicContact CG2-CE2 4.35Å; L144-F147 PolarHBondContact O-N 2.99Å; P145-F147 VanDerWaalsContact C-N 3.3Å; P145-F147 PolarHBondContact O-N 3.18Å; F147-A151 WeakPolarHBondContact O-CB 3.31Å; F147-A151 PolarHBondContact O-N 2.92Å
148A81.5Confident81.5Confident28 Ų2842.2 Ų42.223%0.23124%0.243CC..Hα-helixtrans-78.1-40.5175.300000112.3P145 G150 A151 V156 T158P145-A148 PolarHBondContact O-N 2.8Å; A148-G150 VanDerWaalsContact C-N 3.32Å; A148-G150 PolarHBondContact O-N 2.95Å; A148-A151 WeakPolarHBondContact O-CB 3.4Å; A148-A151 PolarHBondContact O-N 2.86Å; A148-V156 HydrophobicContact CB-CB 4.4Å; A148-V156 HydrophobicContact CB-CG1 4.02Å; A148-T158 HydrophobicContact CB-CG2 3.63Å
149K68.8Low81.4Confident131 Ų13145.4 Ų45.457%0.5726%0.258SS*.Hα-helixtrans-66-34.9176.1-74.6-178.9178.3-176.90112.5E120 P145 A151E120-K149 IonicContact OE1-NZ 3.16Å; E120-K149 PolarHBondContact OE1-NZ 3.17Å; E120-K149 IonicContact OE2-NZ 3.6Å; P145-K149 WeakPolarHBondContact O-CB 3.29Å; P145-K149 WeakPolarHBondContact O-CG 3.39Å; P145-K149 PolarHBondContact O-N 3.4Å; K149-A151 VanDerWaalsContact C-N 3.32Å
150G59.3Low81.3Confident16 Ų1648.1 Ų48.117%0.16527%0.274CS..THydrogen-bonded Turntrans-79.9-9.1175.700000114.4N130 M146 A148N130-G150 PolarHBondContact ND2-O 3.41Å; M146-G150 PolarHBondContact O-N 2.79Å; A148-G150 VanDerWaalsContact C-N 3.32Å; A148-G150 PolarHBondContact O-N 2.95Å
151A61.8Low81.1Confident14 Ų1448.1 Ų48.112%0.11627%0.274CS..SBendtrans-74131178.900000111.4N130 F147 A148 K149 G153 V156N130-A151 WeakPolarHBondContact ND2-CA 3.47Å; F147-A151 WeakPolarHBondContact O-CB 3.31Å; F147-A151 PolarHBondContact O-N 2.92Å; A148-A151 WeakPolarHBondContact O-CB 3.4Å; A148-A151 PolarHBondContact O-N 2.86Å; K149-A151 VanDerWaalsContact C-N 3.32Å; A151-G153 VanDerWaalsContact C-N 3.29Å; A151-G153 PolarHBondContact O-N 3.43Å; A151-V156 HydrophobicContact CB-CB 4.08Å; A151-V156 HydrophobicContact CB-CG2 3.54Å
152T55.1Low81Confident121 Ų12149.6 Ų49.674%0.74228%0.283SS*.SBendtrans-77.979.5172.751.10000110
153G58.6Low80.6Confident46 Ų4649.1 Ų49.147%0.47429%0.288SS..SBendtrans124.8177.8171.100000115.7A151 H155A151-G153 VanDerWaalsContact C-N 3.29Å; A151-G153 PolarHBondContact O-N 3.43Å; G153-H155 VanDerWaalsContact C-N 3.29Å; G153-H155 PolarHBondContact O-N 3.15Å; G153-H155 VanDerWaalsContact O-N 3.08Å
154D78.2Confident79.7Confident157 Ų15756.1 Ų56.184%0.8432%0.321SS*.THydrogen-bonded Turntrans-86.550.4-173.6-64.7-27.9000113.1Y157D154-Y157 PolarHBondContact O-OH 2.97Å
155H90.1Very high78.6Confident30 Ų3059.2 Ų59.214%0.13934%0.335CS..THydrogen-bonded Turntrans-124.90.3-17668.792.4000115.1F129 N130 R133 S134 T135 G153F129-H155 PolarHBondContact O-CE1 3.39Å; N130-H155 PolarHBondContact O-CE1 3.45Å; N130-H155 VanDerWaalsContact O-CE1 3.31Å; R133-H155 WeakPolarHBondContact O-CB 3.11Å; S134-H155 WeakPolarHBondContact CA-O 3.35Å; T135-H155 PolarHBondContact N-O 3.37Å; G153-H155 VanDerWaalsContact C-N 3.29Å; G153-H155 PolarHBondContact O-N 3.15Å; G153-H155 VanDerWaalsContact O-N 3.08Å
156V93Very high77.5Confident17 Ų1759 Ų5910%0.10333%0.331CS..EExtended strand (participates in β ladder)trans-110.4108.2172.4-178.10000109F129 T135 A148 A151F129-V156 HydrophobicContact CB-CG2 4.27Å; T135-V156 HydrophobicContact CG2-CG1 4.44Å; T135-V156 WeakPolarHBondContact O-CA 3.4Å; A148-V156 HydrophobicContact CB-CB 4.4Å; A148-V156 HydrophobicContact CB-CG1 4.02Å; A151-V156 HydrophobicContact CB-CB 4.08Å; A151-V156 HydrophobicContact CB-CG2 3.54Å
157Y93.6Very high76.5Confident98 Ų9861.7 Ų61.738%0.38435%0.346SS..EExtended strand (participates in β ladder)trans-101.7120.2-174.7-54.2-73.6000110.8T135 W136 C137 D154T135-Y157 PolarHBondContact O-N 3.28Å; W136-Y157 AromaticContact CD1-CD2 3.61Å; W136-Y157 HydrophobicContact CD2-CD2 4.45Å; W136-Y157 AromaticContact CE2-CD2 3.92Å; W136-Y157 HydrophobicContact CG-CD2 4.28Å; W136-Y157 HydrophobicContact CZ2-CE2 4.44Å; W136-Y157 AromaticContact NE1-CD2 3.34Å; W136-Y157 VanDerWaalsContact NE1-CD2 3.34Å; W136-Y157 AromaticContact NE1-CE2 3.89Å; C137-Y157 PolarHBondContact N-O 2.85Å; D154-Y157 PolarHBondContact O-OH 2.97Å
158T92.9Very high75Confident54 Ų5465.7 Ų65.733%0.33136%0.363SS..EExtended strand (participates in β ladder)trans-108.9129.5-177.857.90000112.1C137 L144 A148C137-T158 HydrophobicContact CB-CG2 4.4Å; L144-T158 HydrophobicContact CB-CG2 3.89Å; A148-T158 HydrophobicContact CB-CG2 3.63Å
159H94.3Very high73.4Confident70 Ų7068 Ų6832%0.32438%0.383SS..EExtended strand (participates in β ladder)trans-121.2115.7174.3-60.9-82.8000109.5C137 W138 G139 W179C137-H159 PolarHBondContact O-N 2.69Å; W138-H159 WeakPolarHBondContact CA-O 3.48Å; W138-H159 VanDerWaalsContact CD1-CB 3.41Å; W138-H159 AromaticContact CD1-CD2 3.98Å; W138-H159 AromaticContact CD1-CG 3.88Å; W138-H159 HydrophobicContact CG-CB 4.24Å; W138-H159 AromaticContact NE1-CD2 3.5Å; W138-H159 PolarHBondContact NE1-CD2 3Å; W138-H159 AromaticContact NE1-CG 3.72Å; G139-H159 PolarHBondContact N-O 3.32Å; G139-H159 VanDerWaalsContact N-O 3.11Å; H159-W179 HydrophobicContact CB-CH2 4.29Å; H159-W179 WeakPolarHBondContact O-CH2 3.43Å
160T92Very high72.7Confident57 Ų5762.9 Ų62.935%0.3536%0.364SS..EExtended strand (participates in β ladder)trans-121.2145.8-175.8640000111.4G139 P141 L144G139-T160 VanDerWaalsContact O-CA 3.26Å; G139-T160 WeakPolarHBondContact O-CA 3.12Å; G139-T160 WeakPolarHBondContact O-CB 3.28Å; P141-T160 HydrophobicContact CB-CG2 4.25Å; L144-T160 HydrophobicContact CB-CG2 4.24Å; L144-T160 HydrophobicContact CD2-CG2 4.1Å
161Y87.1Confident72.7Confident2 Ų268.5 Ų68.51%0.00840%0.395CS..  trans-71.2161.3162.444.8-105.5000110.2S140 E166 L176 W179 L213S140-Y161 VanDerWaalsContact CA-OH 3.3Å; S140-Y161 WeakPolarHBondContact CA-OH 3.37Å; S140-Y161 WeakPolarHBondContact CB-OH 3.34Å; S140-Y161 PolarHBondContact N-OH 3.23Å; Y161-E166 HydrophobicContact CD2-CG 4.43Å; Y161-E166 HydrophobicContact CE2-CG 3.65Å; Y161-E166 WeakPolarHBondContact CE2-OE1 3.29Å; Y161-E166 PolarHBondContact OH-OE1 3.09Å; Y161-L176 HydrophobicContact CD1-CD2 4.28Å; Y161-L176 HydrophobicContact CD2-CD2 4.03Å; Y161-L176 HydrophobicContact CE1-CB 4.21Å; Y161-L176 HydrophobicContact CE1-CD2 4.19Å; Y161-L176 HydrophobicContact CE2-CD2 3.93Å; Y161-L176 HydrophobicContact CG-CD2 4.21Å; Y161-W179 HydrophobicContact CD1-CD2 4Å; Y161-W179 AromaticContact CD1-CE3 3.64Å; Y161-W179 HydrophobicContact CD1-CE3 3.64Å; Y161-W179 HydrophobicContact CD1-CG 4.47Å; Y161-W179 HydrophobicContact CD1-CZ3 4.06Å; Y161-W179 HydrophobicContact CG-CE3 4.48Å; Y161-L213 WeakPolarHBondContact OH-CB 3.4Å; Y161-L213 VanDerWaalsContact OH-CD2 3.25Å; Y161-L213 WeakPolarHBondContact OH-CD2 3.33Å
162P81.8Confident73.2Confident63 Ų6371.5 Ų71.541%0.40941%0.409SS..  trans-60.6141.7174.5-2032000111.8E164 E165P162-E164 WeakPolarHBondContact CB-OE2 3.22Å; P162-E164 PolarHBondContact O-N 2.83Å; P162-E165 HydrophobicContact CB-CG 4.35Å; P162-E165 HydrophobicContact CG-CG 4.43Å; P162-E165 WeakPolarHBondContact O-CB 3.27Å; P162-E165 PolarHBondContact O-N 2.96Å
163A72.9Confident74.5Confident55 Ų5566 Ų6646%0.45538%0.376SS..G310 helixtrans-62.7-26-177.300000112.9P141 E165 E166P141-A163 HydrophobicContact CG-CB 4.02Å; A163-E165 PolarHBondContact O-N 3.35Å; A163-E166 PolarHBondContact O-N 2.66Å
164E67.5Low75.8Confident155 Ų15564.6 Ų64.672%0.72436%0.358SS*.G310 helixtrans-67.8-13.6176.6-57.178-170.600113.1P162 E166P162-E164 WeakPolarHBondContact CB-OE2 3.22Å; P162-E164 PolarHBondContact O-N 2.83Å; E164-E166 VanDerWaalsContact C-N 3.34Å
165E67.4Low76.3Confident66 Ų6661.7 Ų61.731%0.30834%0.336SS..G310 helixtrans-81-13.4177.1-62.7-164.6-165.100113.4P162 A163 D167 R175 L176P162-E165 HydrophobicContact CB-CG 4.35Å; P162-E165 HydrophobicContact CG-CG 4.43Å; P162-E165 WeakPolarHBondContact O-CB 3.27Å; P162-E165 PolarHBondContact O-N 2.96Å; A163-E165 PolarHBondContact O-N 3.35Å; E165-D167 PolarHBondContact O-N 2.63Å; E165-R175 PolarHBondContact O-NH2 2.89Å; E165-L176 HydrophobicContact CB-CD2 4.1Å
166E64.6Low76.3Confident34 Ų3460.3 Ų60.316%0.15933%0.329CS..  trans-78.652172.8-59.6-177.1160.600111.8S140 P141 Y161 A163 E164 L213S140-E166 WeakPolarHBondContact CB-OE1 2.96Å; S140-E166 PolarHBondContact OG-OE1 2.79Å; P141-E166 WeakPolarHBondContact CD-OE1 3.43Å; Y161-E166 HydrophobicContact CD2-CG 4.43Å; Y161-E166 HydrophobicContact CE2-CG 3.65Å; Y161-E166 WeakPolarHBondContact CE2-OE1 3.29Å; Y161-E166 PolarHBondContact OH-OE1 3.09Å; A163-E166 PolarHBondContact O-N 2.66Å; E164-E166 VanDerWaalsContact C-N 3.34Å; E166-L213 HydrophobicContact CG-CD2 3.92Å; E166-L213 VanDerWaalsContact OE1-CD2 3.25Å; E166-L213 WeakPolarHBondContact OE1-CD2 3.31Å
167D61.1Low76.4Confident79 Ų7959.5 Ų59.542%0.42232%0.324SS..  trans-90.8103.1179.4-176.65.6000111.1E165 A169 S170E165-D167 PolarHBondContact O-N 2.63Å; D167-A169 PolarHBondContact O-N 3.03Å; D167-A169 VanDerWaalsContact O-N 3.11Å; D167-A169 WeakPolarHBondContact OD1-CA 3.25Å; D167-A169 WeakPolarHBondContact OD1-CB 3.45Å; D167-A169 PolarHBondContact OD1-N 3.47Å; D167-S170 WeakPolarHBondContact O-CB 3.39Å; D167-S170 PolarHBondContact O-N 3.43Å
168F54.2Low76.5Confident86 Ų8657.6 Ų57.638%0.37732%0.323SS..THydrogen-bonded Turntrans-61.8-12.7174.7-62.2-84.6000114.1T217 H220 A221F168-T217 HydrophobicContact CD1-CG2 3.68Å; F168-T217 HydrophobicContact CE1-CG2 4.05Å; F168-T217 HydrophobicContact CG-CG2 4.34Å; F168-H220 HydrophobicContact CD1-CB 3.97Å; F168-H220 HydrophobicContact CE1-CB 4.15Å; F168-H220 AromaticContact CE1-CD2 3.82Å; F168-A221 WeakPolarHBondContact O-CB 3.34Å
169A46Very low76.6Confident78 Ų7857.7 Ų57.765%0.64532%0.318SS*.THydrogen-bonded Turntrans-98.2-1.317400000113.2D167D167-A169 PolarHBondContact O-N 3.03Å; D167-A169 VanDerWaalsContact O-N 3.11Å; D167-A169 WeakPolarHBondContact OD1-CA 3.25Å; D167-A169 WeakPolarHBondContact OD1-CB 3.45Å; D167-A169 PolarHBondContact OD1-N 3.47Å
170S55.4Low76.8Confident23 Ų2354.4 Ų54.416%0.16130%0.302CS..SBendtrans-62.5145.9171.2175.50000110.3D167 D172D167-S170 WeakPolarHBondContact O-CB 3.39Å; D167-S170 PolarHBondContact O-N 3.43Å; S170-D172 PolarHBondContact O-N 3.22Å; S170-D172 PolarHBondContact OG-N 3.05Å
171T58.5Low77.1Confident133 Ų13352 Ų5282%0.81629%0.287SS*.SBendtrans-72.8-14-179.350.40000114.1
172D72.4Confident77.6Confident78 Ų7855 Ų5542%0.41731%0.305SS..  trans-150.3103.8-178.9-177.27.1000111.1S170 S174 R175S170-D172 PolarHBondContact O-N 3.22Å; S170-D172 PolarHBondContact OG-N 3.05Å; D172-S174 VanDerWaalsContact OD1-CB 3.27Å; D172-S174 WeakPolarHBondContact OD1-CB 3.34Å; D172-S174 PolarHBondContact OD1-N 2.82Å; D172-S174 PolarHBondContact OD1-OG 2.97Å; D172-S174 PolarHBondContact OD2-OG 3.23Å; D172-R175 WeakPolarHBondContact O-CD 3.27Å; D172-R175 WeakPolarHBondContact O-CG 3.48Å
173A82.3Confident78.3Confident5 Ų555 Ų554%0.04130%0.3CS..SBendtrans-84.1-13.4175.500000113.7R175 L176 T217A173-R175 PolarHBondContact O-N 2.84Å; A173-R175 VanDerWaalsContact O-N 3.09Å; A173-L176 PolarHBondContact O-N 3.33Å; A173-L176 VanDerWaalsContact O-N 3.11Å; A173-T217 HydrophobicContact CB-CG2 3.4Å
174S86.6Confident79.5Confident16 Ų1652.4 Ų52.411%0.11228%0.278CS..Hα-helixtrans-66.6-14.3-179.777.40000113.2D172 L176 D177 T178 N232D172-S174 VanDerWaalsContact OD1-CB 3.27Å; D172-S174 WeakPolarHBondContact OD1-CB 3.34Å; D172-S174 PolarHBondContact OD1-N 2.82Å; D172-S174 PolarHBondContact OD1-OG 2.97Å; D172-S174 PolarHBondContact OD2-OG 3.23Å; S174-L176 PolarHBondContact O-N 3.4Å; S174-D177 PolarHBondContact O-N 2.83Å; S174-T178 PolarHBondContact O-N 3.05Å; S174-T178 PolarHBondContact O-OG1 3.11Å; S174-N232 WeakPolarHBondContact CA-OD1 3.33Å; S174-N232 WeakPolarHBondContact CB-OD1 3.5Å
175R88.2Confident80.9Confident96 Ų9648 Ų4836%0.36226%0.257SS..Hα-helixtrans-56.8-31.8170.873.7-177.9-175175-2.1113E165 D172 A173 T178 W179E165-R175 PolarHBondContact O-NH2 2.89Å; D172-R175 WeakPolarHBondContact O-CD 3.27Å; D172-R175 WeakPolarHBondContact O-CG 3.48Å; A173-R175 PolarHBondContact O-N 2.84Å; A173-R175 VanDerWaalsContact O-N 3.09Å; R175-T178 PolarHBondContact O-N 3.3Å; R175-W179 WeakPolarHBondContact O-CB 3.47Å; R175-W179 PolarHBondContact O-N 3.32Å
176L90Very high82.3Confident1 Ų147.5 Ų47.51%0.00526%0.261CS..Hα-helixtrans-66-44.7179.7-61.3177.9000110.3Y161 E165 A173 S174 W179 V180 L213Y161-L176 HydrophobicContact CD1-CD2 4.28Å; Y161-L176 HydrophobicContact CD2-CD2 4.03Å; Y161-L176 HydrophobicContact CE1-CB 4.21Å; Y161-L176 HydrophobicContact CE1-CD2 4.19Å; Y161-L176 HydrophobicContact CE2-CD2 3.93Å; Y161-L176 HydrophobicContact CG-CD2 4.21Å; E165-L176 HydrophobicContact CB-CD2 4.1Å; A173-L176 PolarHBondContact O-N 3.33Å; A173-L176 VanDerWaalsContact O-N 3.11Å; S174-L176 PolarHBondContact O-N 3.4Å; L176-W179 WeakPolarHBondContact O-CB 3.35Å; L176-W179 PolarHBondContact O-N 3.47Å; L176-V180 PolarHBondContact O-N 3.36Å; L176-L213 HydrophobicContact CD1-CB 4.32Å; L176-L213 HydrophobicContact CD1-CD2 4.16Å; L176-L213 HydrophobicContact CD1-CG 4.35Å
177D95.7Very high83.9Confident0 Ų047.2 Ų47.20%026%0.259CS..Hα-helixtrans-68.5-40.7176.6-58-21.1000110.8S174 W179 V180 F181 L212 L213 G214 N232 L235 V236S174-D177 PolarHBondContact O-N 2.83Å; D177-W179 VanDerWaalsContact C-N 3.27Å; D177-W179 PolarHBondContact O-N 3.37Å; D177-V180 WeakPolarHBondContact O-CB 3.47Å; D177-V180 PolarHBondContact O-N 2.9Å; D177-V180 VanDerWaalsContact O-N 3.15Å; D177-F181 HydrophobicContact CB-CE2 4.23Å; D177-F181 WeakPolarHBondContact O-CD2 3.28Å; D177-F181 WeakPolarHBondContact O-CG 3.15Å; D177-F181 PolarHBondContact O-N 2.94Å; D177-L212 HydrophobicContact CB-CD2 4.21Å; D177-L212 WeakPolarHBondContact OD1-CA 3.46Å; D177-L212 WeakPolarHBondContact OD1-CB 3.38Å; D177-L213 PolarHBondContact OD1-N 2.79Å; D177-G214 PolarHBondContact OD1-N 2.86Å; D177-G214 WeakPolarHBondContact OD2-CA 3.49Å; D177-G214 PolarHBondContact OD2-N 3.19Å; D177-N232 PolarHBondContact OD2-ND2 2.91Å; D177-L235 HydrophobicContact CB-CD2 4.14Å; D177-V236 HydrophobicContact CB-CG2 4.3Å; D177-V236 WeakPolarHBondContact OD2-CG2 3.48Å
178T95Very high85.6Confident59 Ų5943.5 Ų43.536%0.36224%0.239SC..Hα-helixtrans-60.7-37.7175-570000111.8S174 R175 T182S174-T178 PolarHBondContact O-N 3.05Å; S174-T178 PolarHBondContact O-OG1 3.11Å; R175-T178 PolarHBondContact O-N 3.3Å; T178-T182 WeakPolarHBondContact O-CB 3.32Å; T178-T182 PolarHBondContact O-N 3.37Å; T178-T182 PolarHBondContact O-OG1 3.47Å
179W95.7Very high87.5Confident56 Ų5645.2 Ų45.221%0.21225%0.248CC..Hα-helixtrans-60.9-47.6174.1-178.7100.5000110.8W138 H159 Y161 R175 L176 D177 F181 T182 Q183W138-W179 HydrophobicContact CB-CZ3 4.45Å; H159-W179 HydrophobicContact CB-CH2 4.29Å; H159-W179 WeakPolarHBondContact O-CH2 3.43Å; Y161-W179 HydrophobicContact CD1-CD2 4Å; Y161-W179 AromaticContact CD1-CE3 3.64Å; Y161-W179 HydrophobicContact CD1-CE3 3.64Å; Y161-W179 HydrophobicContact CD1-CG 4.47Å; Y161-W179 HydrophobicContact CD1-CZ3 4.06Å; Y161-W179 HydrophobicContact CG-CE3 4.48Å; R175-W179 WeakPolarHBondContact O-CB 3.47Å; R175-W179 PolarHBondContact O-N 3.32Å; L176-W179 WeakPolarHBondContact O-CB 3.35Å; L176-W179 PolarHBondContact O-N 3.47Å; D177-W179 VanDerWaalsContact C-N 3.27Å; D177-W179 PolarHBondContact O-N 3.37Å; W179-F181 PolarHBondContact O-N 3.16Å; W179-T182 WeakPolarHBondContact O-CB 3.49Å; W179-T182 PolarHBondContact O-N 3.48Å; W179-Q183 HydrophobicContact CD2-CG 3.78Å; W179-Q183 HydrophobicContact CE3-CG 3.85Å; W179-Q183 HydrophobicContact CH2-CG 3.65Å; W179-Q183 HydrophobicContact CZ2-CG 3.59Å; W179-Q183 HydrophobicContact CZ3-CG 3.79Å; W179-Q183 WeakPolarHBondContact O-CG 3.28Å; W179-Q183 PolarHBondContact O-N 3.47Å
180V97.7Very high89.9Confident0 Ų043.8 Ų43.80%024%0.236CC..Hα-helixtrans-58.4-51.1178.2170.80000110.7W138 L176 D177 T182 Q183 V184 L210 L212W138-V180 HydrophobicContact CB-CG1 3.85Å; W138-V180 HydrophobicContact CB-CG2 4.4Å; L176-V180 PolarHBondContact O-N 3.36Å; D177-V180 WeakPolarHBondContact O-CB 3.47Å; D177-V180 PolarHBondContact O-N 2.9Å; D177-V180 VanDerWaalsContact O-N 3.15Å; V180-T182 VanDerWaalsContact C-N 3.28Å; V180-T182 PolarHBondContact O-N 2.92Å; V180-Q183 PolarHBondContact O-N 2.99Å; V180-V184 HydrophobicContact CG1-CG2 4.46Å; V180-V184 VanDerWaalsContact O-CG2 3.27Å; V180-V184 WeakPolarHBondContact O-CG2 3.19Å; V180-V184 PolarHBondContact O-N 3.49Å; V180-L210 HydrophobicContact CG1-CB 4.07Å; V180-L210 HydrophobicContact CG1-CD2 4.25Å; V180-L210 HydrophobicContact CG1-CG 3.96Å; V180-L212 HydrophobicContact CB-CD2 3.8Å; V180-L212 HydrophobicContact CG1-CD2 3.63Å; V180-L212 HydrophobicContact CG2-CD2 4.27Å
181F98.3Very high91.8Very high7 Ų742.7 Ų42.73%0.03123%0.229CC..Hα-helixtrans-60.2-38.2177.9-65-50.6000112.6D177 W179 K185 L210 L212 L235 V240 V243D177-F181 HydrophobicContact CB-CE2 4.23Å; D177-F181 WeakPolarHBondContact O-CD2 3.28Å; D177-F181 WeakPolarHBondContact O-CG 3.15Å; D177-F181 PolarHBondContact O-N 2.94Å; W179-F181 PolarHBondContact O-N 3.16Å; F181-K185 WeakPolarHBondContact O-CB 3.39Å; F181-K185 VanDerWaalsContact O-CG 3.25Å; F181-K185 WeakPolarHBondContact O-CG 3.41Å; F181-K185 PolarHBondContact O-N 3.01Å; F181-L210 HydrophobicContact CD1-CD2 4.33Å; F181-L210 HydrophobicContact CE1-CD2 4.27Å; F181-L212 HydrophobicContact CE1-CD1 4.25Å; F181-L212 HydrophobicContact CE1-CD2 4.28Å; F181-L212 HydrophobicContact CE2-CD2 4.4Å; F181-L212 HydrophobicContact CZ-CD1 3.72Å; F181-L212 HydrophobicContact CZ-CD2 4.06Å; F181-L235 HydrophobicContact CE2-CD2 4.28Å; F181-V240 HydrophobicContact CE1-CG2 4.35Å; F181-V240 HydrophobicContact CZ-CG2 4.29Å; F181-V243 HydrophobicContact CD1-CG2 3.68Å; F181-V243 HydrophobicContact CE1-CG2 4.26Å
182T97.4Very high93.5Very high64 Ų6442.2 Ų42.239%0.39322%0.216SC..Hα-helixtrans-65-45176.7-59.70000111.4T178 W179 V180 V184 K185 S186T178-T182 WeakPolarHBondContact O-CB 3.32Å; T178-T182 PolarHBondContact O-N 3.37Å; T178-T182 PolarHBondContact O-OG1 3.47Å; W179-T182 WeakPolarHBondContact O-CB 3.49Å; W179-T182 PolarHBondContact O-N 3.48Å; V180-T182 VanDerWaalsContact C-N 3.28Å; V180-T182 PolarHBondContact O-N 2.92Å; T182-V184 PolarHBondContact O-N 3.2Å; T182-K185 PolarHBondContact O-N 3.11Å; T182-S186 PolarHBondContact O-N 3.34Å; T182-S186 PolarHBondContact O-OG 3.26Å
183Q97.3Very high94.5Very high64 Ų6444.5 Ų44.530%0.29923%0.232SC..Hα-helixtrans-62.8-42.7177.6-69-56.8-47.500112W138 W179 V180 K185 S186 F187W138-Q183 VanDerWaalsContact CD1-CB 3.45Å; W138-Q183 HydrophobicContact CG-CB 4.32Å; W179-Q183 HydrophobicContact CD2-CG 3.78Å; W179-Q183 HydrophobicContact CE3-CG 3.85Å; W179-Q183 HydrophobicContact CH2-CG 3.65Å; W179-Q183 HydrophobicContact CZ2-CG 3.59Å; W179-Q183 HydrophobicContact CZ3-CG 3.79Å; W179-Q183 WeakPolarHBondContact O-CG 3.28Å; W179-Q183 PolarHBondContact O-N 3.47Å; V180-Q183 PolarHBondContact O-N 2.99Å; Q183-K185 PolarHBondContact O-N 3.16Å; Q183-S186 PolarHBondContact O-N 3.45Å; Q183-F187 VanDerWaalsContact O-CB 3.27Å; Q183-F187 WeakPolarHBondContact O-CB 3.41Å; Q183-F187 PolarHBondContact O-N 3.46Å
184V97.8Very high95.1Very high0 Ų047.9 Ų47.90%025%0.25CC..Hα-helixtrans-60.8-46175.7177.20000110.6W138 V180 T182 S186 F187 F188 L210 V243 M247W138-V184 HydrophobicContact CD2-CG2 3.75Å; W138-V184 HydrophobicContact CE3-CG2 3.65Å; W138-V184 HydrophobicContact CG-CG2 4.19Å; W138-V184 HydrophobicContact CZ3-CG2 4.06Å; V180-V184 HydrophobicContact CG1-CG2 4.46Å; V180-V184 VanDerWaalsContact O-CG2 3.27Å; V180-V184 WeakPolarHBondContact O-CG2 3.19Å; V180-V184 PolarHBondContact O-N 3.49Å; T182-V184 PolarHBondContact O-N 3.2Å; V184-S186 PolarHBondContact O-N 2.86Å; V184-F187 WeakPolarHBondContact O-CB 3.12Å; V184-F187 PolarHBondContact O-N 3.31Å; V184-F188 HydrophobicContact CG1-CD2 3.92Å; V184-F188 HydrophobicContact CG1-CE2 4.01Å; V184-F188 WeakPolarHBondContact O-CD2 3.28Å; V184-F188 PolarHBondContact O-N 3.46Å; V184-L210 HydrophobicContact CG2-CD1 4.18Å; V184-L210 HydrophobicContact CG2-CD2 3.92Å; V184-L210 HydrophobicContact CG2-CG 3.93Å; V184-V243 HydrophobicContact CG1-CG1 4.14Å; V184-V243 HydrophobicContact CG1-CG2 4.22Å; V184-M247 HydrophobicContact CG1-CE 4.26Å
185K97.8Very high95.5Very high64 Ų6451.7 Ų51.728%0.27828%0.277SS..Hα-helixtrans-59-48.4176.4-73167.7-174.8175.70112F181 T182 Q183 F187 F188 Q189 E242 L246F181-K185 WeakPolarHBondContact O-CB 3.39Å; F181-K185 VanDerWaalsContact O-CG 3.25Å; F181-K185 WeakPolarHBondContact O-CG 3.41Å; F181-K185 PolarHBondContact O-N 3.01Å; T182-K185 PolarHBondContact O-N 3.11Å; Q183-K185 PolarHBondContact O-N 3.16Å; K185-F187 VanDerWaalsContact C-N 3.32Å; K185-F187 PolarHBondContact O-N 2.79Å; K185-F188 PolarHBondContact O-N 3.22Å; K185-Q189 WeakPolarHBondContact O-CB 3.37Å; K185-Q189 VanDerWaalsContact O-CG 3.26Å; K185-Q189 WeakPolarHBondContact O-CG 3.38Å; K185-Q189 PolarHBondContact O-N 2.79Å; K185-E242 WeakPolarHBondContact CE-OE2 3.29Å; K185-E242 IonicContact NZ-OE2 2.71Å; K185-E242 PolarHBondContact NZ-OE2 2.88Å; K185-L246 HydrophobicContact CB-CD2 4.36Å; K185-L246 HydrophobicContact CG-CD2 3.95Å
186S96.8Very high95.8Very high55 Ų5552 Ų5239%0.38529%0.289SS..Hα-helixtrans-62.6-38.4177.5-65.90000112.3T182 Q183 V184 Q189 A190T182-S186 PolarHBondContact O-N 3.34Å; T182-S186 PolarHBondContact O-OG 3.26Å; Q183-S186 PolarHBondContact O-N 3.45Å; V184-S186 PolarHBondContact O-N 2.86Å; S186-Q189 PolarHBondContact O-N 2.99Å; S186-A190 WeakPolarHBondContact O-CB 3.22Å; S186-A190 PolarHBondContact O-N 2.9Å
187F97.4Very high96Very high28 Ų2853.3 Ų53.312%0.12330%0.296CS..Hα-helixtrans-61.8-50.1177.4177.2-98.3000112W136 W138 Q183 V184 K185 Q189 A190 A191 L197 L201 F208W136-F187 AromaticContact CD1-CE2 3.71Å; W136-F187 AromaticContact CD1-CZ 3.54Å; W136-F187 HydrophobicContact CD2-CZ 4Å; W136-F187 AromaticContact CE2-CZ 3.88Å; W136-F187 HydrophobicContact CG-CE1 4.46Å; W136-F187 HydrophobicContact CG-CE2 4.33Å; W136-F187 AromaticContact CG-CZ 3.81Å; W136-F187 HydrophobicContact CG-CZ 3.81Å; W136-F187 AromaticContact NE1-CE2 3.89Å; W136-F187 AromaticContact NE1-CZ 3.58Å; W138-F187 AromaticContact CH2-CD1 3.91Å; W138-F187 HydrophobicContact CH2-CD1 3.91Å; W138-F187 HydrophobicContact CH2-CE1 4.14Å; W138-F187 HydrophobicContact CH2-CG 4.22Å; W138-F187 HydrophobicContact CZ2-CB 3.9Å; W138-F187 AromaticContact CZ2-CD1 3.81Å; W138-F187 HydrophobicContact CZ2-CD1 3.81Å; W138-F187 AromaticContact CZ2-CD2 3.98Å; W138-F187 HydrophobicContact CZ2-CD2 3.98Å; W138-F187 HydrophobicContact CZ2-CE1 4.28Å; W138-F187 HydrophobicContact CZ2-CE2 4.42Å; W138-F187 AromaticContact CZ2-CG 3.63Å; W138-F187 HydrophobicContact CZ2-CG 3.63Å; Q183-F187 VanDerWaalsContact O-CB 3.27Å; Q183-F187 WeakPolarHBondContact O-CB 3.41Å; Q183-F187 PolarHBondContact O-N 3.46Å; V184-F187 WeakPolarHBondContact O-CB 3.12Å; V184-F187 PolarHBondContact O-N 3.31Å; K185-F187 VanDerWaalsContact C-N 3.32Å; K185-F187 PolarHBondContact O-N 2.79Å; F187-Q189 VanDerWaalsContact C-N 3.33Å; F187-Q189 PolarHBondContact O-N 3.26Å; F187-A190 PolarHBondContact O-N 3.39Å; F187-A191 WeakPolarHBondContact O-CB 3.41Å; F187-A191 PolarHBondContact O-N 3.18Å; F187-L197 HydrophobicContact CD2-CD2 4.36Å; F187-L197 HydrophobicContact CE2-CD1 3.92Å; F187-L197 HydrophobicContact CE2-CD2 3.97Å; F187-L197 HydrophobicContact CZ-CD1 3.74Å; F187-L197 HydrophobicContact CZ-CD2 4.26Å; F187-L197 HydrophobicContact CZ-CG 4.42Å; F187-L201 HydrophobicContact CE1-CD1 3.94Å; F187-L201 HydrophobicContact CE1-CD2 3.74Å; F187-L201 HydrophobicContact CE1-CG 4.46Å; F187-L201 HydrophobicContact CZ-CD1 4.39Å; F187-L201 HydrophobicContact CZ-CD2 3.89Å; F187-F208 HydrophobicContact CE1-CE1 4.18Å
188F96.9Very high96Very high0 Ų057.7 Ų57.70%032%0.315CS..Hα-helixtrans-68.9-29.8177.3-82.4-81.5000112.9V184 K185 A191 K192 L201 F208 L246 M247 F250 F251V184-F188 HydrophobicContact CG1-CD2 3.92Å; V184-F188 HydrophobicContact CG1-CE2 4.01Å; V184-F188 WeakPolarHBondContact O-CD2 3.28Å; V184-F188 PolarHBondContact O-N 3.46Å; K185-F188 PolarHBondContact O-N 3.22Å; F188-A191 PolarHBondContact O-N 2.98Å; F188-K192 WeakPolarHBondContact O-CG 3.18Å; F188-K192 PolarHBondContact O-N 2.85Å; F188-L201 HydrophobicContact CE1-CD1 4.32Å; F188-F208 HydrophobicContact CE2-CD1 4.45Å; F188-F208 HydrophobicContact CE2-CE1 4.35Å; F188-F208 HydrophobicContact CZ-CD1 4.23Å; F188-F208 AromaticContact CZ-CE1 3.8Å; F188-F208 HydrophobicContact CZ-CE1 3.8Å; F188-F208 AromaticContact CZ-CZ 3.97Å; F188-F208 HydrophobicContact CZ-CZ 3.97Å; F188-L246 HydrophobicContact CB-CD1 4.34Å; F188-L246 HydrophobicContact CB-CD2 4Å; F188-L246 HydrophobicContact CB-CG 4.21Å; F188-L246 HydrophobicContact CD2-CD2 4.26Å; F188-L246 HydrophobicContact CG-CD2 4.36Å; F188-M247 HydrophobicContact CE1-CG 4.33Å; F188-M247 HydrophobicContact CE2-CE 3.44Å; F188-M247 VanDerWaalsContact CE2-CE 3.44Å; F188-M247 HydrophobicContact CE2-CG 3.89Å; F188-M247 HydrophobicContact CE2-SD 4.48Å; F188-M247 HydrophobicContact CZ-CE 3.71Å; F188-M247 HydrophobicContact CZ-CG 3.77Å; F188-M247 HydrophobicContact CZ-SD 4.42Å; F188-F250 HydrophobicContact CD1-CB 4.02Å; F188-F250 AromaticContact CD1-CD1 3.73Å; F188-F250 HydrophobicContact CD1-CD1 3.73Å; F188-F250 AromaticContact CD1-CD2 3.82Å; F188-F250 HydrophobicContact CD1-CD2 3.82Å; F188-F250 HydrophobicContact CD1-CE1 4.11Å; F188-F250 HydrophobicContact CD1-CE2 4.18Å; F188-F250 AromaticContact CD1-CG 3.58Å; F188-F250 HydrophobicContact CD1-CG 3.58Å; F188-F250 HydrophobicContact CD1-CZ 4.31Å; F188-F250 HydrophobicContact CE1-CB 4.44Å; F188-F250 AromaticContact CE1-CD1 3.75Å; F188-F250 HydrophobicContact CE1-CD1 3.75Å; F188-F250 HydrophobicContact CE1-CE1 4.11Å; F188-F250 HydrophobicContact CE1-CG 4.04Å; F188-F251 AromaticContact CE1-CE2 3.91Å; F188-F251 HydrophobicContact CE1-CE2 3.91Å; F188-F251 HydrophobicContact CE1-CZ 4.05Å; F188-F251 HydrophobicContact CZ-CE2 4.31Å
189Q95.4Very high96Very high122 Ų12257.5 Ų57.557%0.5732%0.319SS*.Hα-helixtrans-64.8-46.1170.5-75.3174.7-0.100111.7K185 S186 F187 A191 K192K185-Q189 WeakPolarHBondContact O-CB 3.37Å; K185-Q189 VanDerWaalsContact O-CG 3.26Å; K185-Q189 WeakPolarHBondContact O-CG 3.38Å; K185-Q189 PolarHBondContact O-N 2.79Å; S186-Q189 PolarHBondContact O-N 2.99Å; F187-Q189 VanDerWaalsContact C-N 3.33Å; F187-Q189 PolarHBondContact O-N 3.26Å; Q189-A191 VanDerWaalsContact C-N 3.29Å; Q189-A191 PolarHBondContact O-N 3.34Å; Q189-K192 WeakPolarHBondContact O-CB 3.47Å; Q189-K192 PolarHBondContact O-N 3.09Å; Q189-K192 VanDerWaalsContact O-N 3.14Å
190A94.8Very high96Very high48 Ų4856.7 Ų56.740%0.39732%0.321SS..Hα-helixtrans-62.9-37.1175.400000111.8S186 F187 K192 T193 N194S186-A190 WeakPolarHBondContact O-CB 3.22Å; S186-A190 PolarHBondContact O-N 2.9Å; F187-A190 PolarHBondContact O-N 3.39Å; A190-K192 PolarHBondContact O-N 3.2Å; A190-T193 PolarHBondContact O-N 3.29Å; A190-T193 VanDerWaalsContact O-N 3.13Å; A190-T193 PolarHBondContact O-OG1 3.16Å; A190-T193 VanDerWaalsContact O-OG1 3.13Å; A190-N194 WeakPolarHBondContact O-CB 3.17Å; A190-N194 PolarHBondContact O-N 2.95Å
191A95.6Very high95.9Very high0 Ų056.7 Ų56.70%032%0.321CS..Hα-helixtrans-64.1-22.3175.700000113.7F187 F188 Q189 T193 L197 K198 L201 F250F187-A191 WeakPolarHBondContact O-CB 3.41Å; F187-A191 PolarHBondContact O-N 3.18Å; F188-A191 PolarHBondContact O-N 2.98Å; Q189-A191 VanDerWaalsContact C-N 3.29Å; Q189-A191 PolarHBondContact O-N 3.34Å; A191-T193 VanDerWaalsContact C-N 3.29Å; A191-T193 PolarHBondContact O-N 2.95Å; A191-L197 HydrophobicContact CB-CD2 3.76Å; A191-L197 HydrophobicContact CB-CG 3.89Å; A191-K198 WeakPolarHBondContact O-CB 3.49Å; A191-L201 HydrophobicContact CB-CD1 3.48Å; A191-L201 VanDerWaalsContact CB-CD1 3.48Å; A191-F250 HydrophobicContact CB-CE2 3.78Å; A191-F250 HydrophobicContact CB-CZ 3.75Å
192K93.6Very high95.7Very high124 Ų12460.8 Ų60.854%0.53934%0.343SS..Hα-helixtrans-69-28.6174.4-70.4176-177-176.50112.5F188 Q189 A190 F250F188-K192 WeakPolarHBondContact O-CG 3.18Å; F188-K192 PolarHBondContact O-N 2.85Å; Q189-K192 WeakPolarHBondContact O-CB 3.47Å; Q189-K192 PolarHBondContact O-N 3.09Å; Q189-K192 VanDerWaalsContact O-N 3.14Å; A190-K192 PolarHBondContact O-N 3.2Å; K192-F250 HydrophobicContact CG-CD2 4.05Å; K192-F250 HydrophobicContact CG-CE2 3.98Å
193T94.6Very high95.6Very high126 Ų12662 Ų6277%0.77334%0.343SS*.Hα-helixtrans-105.8-22.1-177.556.90000113.5A190 A191A190-T193 PolarHBondContact O-N 3.29Å; A190-T193 VanDerWaalsContact O-N 3.13Å; A190-T193 PolarHBondContact O-OG1 3.16Å; A190-T193 VanDerWaalsContact O-OG1 3.13Å; A191-T193 VanDerWaalsContact C-N 3.29Å; A191-T193 PolarHBondContact O-N 2.95Å
194N95.6Very high95.6Very high75 Ų7562 Ų6240%0.40135%0.346SS..  trans-91.9104175.6-176.2-24.2000110.9A190 T196 L197 K198A190-N194 WeakPolarHBondContact O-CB 3.17Å; A190-N194 PolarHBondContact O-N 2.95Å; N194-T196 VanDerWaalsContact C-N 3.35Å; N194-T196 PolarHBondContact O-N 3.48Å; N194-T196 PolarHBondContact OD1-N 3.28Å; N194-T196 VanDerWaalsContact OD1-N 3.16Å; N194-L197 HydrophobicContact CB-CB 3.92Å; N194-L197 PolarHBondContact O-N 2.82Å; N194-L197 PolarHBondContact OD1-N 3.03Å; N194-K198 WeakPolarHBondContact O-CB 3.37Å; N194-K198 PolarHBondContact O-N 3.18Å
195S94.1Very high95.5Very high97 Ų9765 Ų6568%0.67836%0.359SS*.Hα-helixtrans-62.4-36.7-177.552.90000113.7A199S195-A199 WeakPolarHBondContact O-CB 3.29Å; S195-A199 PolarHBondContact O-N 2.81Å
196T94.8Very high95.5Very high102 Ų10262 Ų6263%0.62635%0.346SS*.Hα-helixtrans-67.4-46.2178.4-53.30000110.9N194 A199 T200N194-T196 VanDerWaalsContact C-N 3.35Å; N194-T196 PolarHBondContact O-N 3.48Å; N194-T196 PolarHBondContact OD1-N 3.28Å; N194-T196 VanDerWaalsContact OD1-N 3.16Å; T196-A199 PolarHBondContact O-N 3.36Å; T196-T200 PolarHBondContact O-N 2.96Å; T196-T200 PolarHBondContact O-OG1 3.33Å
197L93.9Very high95.6Very high29 Ų2959.4 Ų59.415%0.15233%0.328CS..Hα-helixtrans-62.2-46.9176.3-17957000110.4F187 A191 N194 A199 T200 L201F187-L197 HydrophobicContact CD2-CD2 4.36Å; F187-L197 HydrophobicContact CE2-CD1 3.92Å; F187-L197 HydrophobicContact CE2-CD2 3.97Å; F187-L197 HydrophobicContact CZ-CD1 3.74Å; F187-L197 HydrophobicContact CZ-CD2 4.26Å; F187-L197 HydrophobicContact CZ-CG 4.42Å; A191-L197 HydrophobicContact CB-CD2 3.76Å; A191-L197 HydrophobicContact CB-CG 3.89Å; N194-L197 HydrophobicContact CB-CB 3.92Å; N194-L197 PolarHBondContact O-N 2.82Å; N194-L197 PolarHBondContact OD1-N 3.03Å; L197-A199 VanDerWaalsContact C-N 3.32Å; L197-A199 PolarHBondContact O-N 2.86Å; L197-T200 WeakPolarHBondContact O-CB 3.3Å; L197-T200 PolarHBondContact O-N 3.23Å; L197-L201 HydrophobicContact CD1-CD1 4.38Å; L197-L201 HydrophobicContact CD1-CG 4.23Å; L197-L201 HydrophobicContact CG-CD1 4.16Å; L197-L201 HydrophobicContact CG-CG 4.43Å; L197-L201 VanDerWaalsContact O-CG 3.31Å; L197-L201 WeakPolarHBondContact O-CG 3.45Å; L197-L201 PolarHBondContact O-N 2.97Å
198K95.7Very high95.6Very high91 Ų9158.1 Ų58.140%0.39632%0.322SS..Hα-helixtrans-56.2-45.9176.7-167.4173.3-179.41790112.5A191 N194 T200 L201 L202 F250A191-K198 WeakPolarHBondContact O-CB 3.49Å; N194-K198 WeakPolarHBondContact O-CB 3.37Å; N194-K198 PolarHBondContact O-N 3.18Å; K198-T200 VanDerWaalsContact C-N 3.33Å; K198-T200 PolarHBondContact O-N 3.33Å; K198-L201 PolarHBondContact O-N 3.24Å; K198-L202 HydrophobicContact CG-CD1 4.19Å; K198-L202 VanDerWaalsContact O-CG 3.31Å; K198-L202 WeakPolarHBondContact O-CG 3.27Å; K198-L202 PolarHBondContact O-N 2.88Å; K198-L202 VanDerWaalsContact O-N 3.14Å; K198-F250 HydrophobicContact CG-CZ 4.11Å
199A95.4Very high95.7Very high55 Ų5558.1 Ų58.146%0.45532%0.322SS..Hα-helixtrans-59.3-46.6178.600000110.9S195 T196 L197 L201 L202 E203S195-A199 WeakPolarHBondContact O-CB 3.29Å; S195-A199 PolarHBondContact O-N 2.81Å; T196-A199 PolarHBondContact O-N 3.36Å; L197-A199 VanDerWaalsContact C-N 3.32Å; L197-A199 PolarHBondContact O-N 2.86Å; A199-L201 PolarHBondContact O-N 2.93Å; A199-L202 PolarHBondContact O-N 2.74Å; A199-E203 PolarHBondContact O-N 3.25Å
200T94.5Very high95.9Very high39 Ų3952.3 Ų52.324%0.23930%0.295CS..Hα-helixtrans-59.8-44177.8-47.40000111.6W136 T196 L197 K198 L202 E203 N206W136-T200 HydrophobicContact CH2-CG2 3.95Å; W136-T200 HydrophobicContact CZ2-CG2 3.9Å; T196-T200 PolarHBondContact O-N 2.96Å; T196-T200 PolarHBondContact O-OG1 3.33Å; L197-T200 WeakPolarHBondContact O-CB 3.3Å; L197-T200 PolarHBondContact O-N 3.23Å; K198-T200 VanDerWaalsContact C-N 3.33Å; K198-T200 PolarHBondContact O-N 3.33Å; T200-L202 VanDerWaalsContact C-N 3.26Å; T200-L202 PolarHBondContact O-N 2.88Å; T200-E203 WeakPolarHBondContact O-CB 3.29Å; T200-E203 PolarHBondContact O-N 3.16Å; T200-N206 PolarHBondContact O-ND2 3.07Å
201L95.6Very high96Very high0 Ų050 Ų500%028%0.276CS..Hα-helixtrans-66.5-26.3179.5-64.2176.9000113.7W136 F187 F188 A191 L197 K198 A199 E203 N206 F208 F250 F251W136-L201 HydrophobicContact CD2-CD2 4.28Å; W136-L201 HydrophobicContact CE3-CD2 4.06Å; W136-L201 HydrophobicContact CH2-CD2 3.57Å; W136-L201 HydrophobicContact CZ2-CD2 3.8Å; W136-L201 HydrophobicContact CZ3-CD2 3.71Å; F187-L201 HydrophobicContact CE1-CD1 3.94Å; F187-L201 HydrophobicContact CE1-CD2 3.74Å; F187-L201 HydrophobicContact CE1-CG 4.46Å; F187-L201 HydrophobicContact CZ-CD1 4.39Å; F187-L201 HydrophobicContact CZ-CD2 3.89Å; F188-L201 HydrophobicContact CE1-CD1 4.32Å; A191-L201 HydrophobicContact CB-CD1 3.48Å; A191-L201 VanDerWaalsContact CB-CD1 3.48Å; L197-L201 HydrophobicContact CD1-CD1 4.38Å; L197-L201 HydrophobicContact CD1-CG 4.23Å; L197-L201 HydrophobicContact CG-CD1 4.16Å; L197-L201 HydrophobicContact CG-CG 4.43Å; L197-L201 VanDerWaalsContact O-CG 3.31Å; L197-L201 WeakPolarHBondContact O-CG 3.45Å; L197-L201 PolarHBondContact O-N 2.97Å; K198-L201 PolarHBondContact O-N 3.24Å; A199-L201 PolarHBondContact O-N 2.93Å; L201-E203 VanDerWaalsContact C-N 3.32Å; L201-N206 PolarHBondContact O-ND2 3.28Å; L201-N206 VanDerWaalsContact O-ND2 3.16Å; L201-F208 HydrophobicContact CD2-CE1 3.65Å; L201-F208 HydrophobicContact CD2-CZ 3.68Å; L201-F250 HydrophobicContact CB-CE1 4.19Å; L201-F250 HydrophobicContact CD1-CE1 3.96Å; L201-F250 HydrophobicContact CD1-CZ 3.85Å; L201-F251 HydrophobicContact CB-CE1 4.38Å; L201-F251 HydrophobicContact CB-CZ 4.42Å; L201-F251 WeakPolarHBondContact O-CE1 3.33Å
202L95.5Very high96.1Very high94 Ų9450 Ų5049%0.49228%0.276SS..Hα-helixtrans-81.6-10.1177.9-69.8172.6000113.4K198 A199 T200 F251K198-L202 HydrophobicContact CG-CD1 4.19Å; K198-L202 VanDerWaalsContact O-CG 3.31Å; K198-L202 WeakPolarHBondContact O-CG 3.27Å; K198-L202 PolarHBondContact O-N 2.88Å; K198-L202 VanDerWaalsContact O-N 3.14Å; A199-L202 PolarHBondContact O-N 2.74Å; T200-L202 VanDerWaalsContact C-N 3.26Å; T200-L202 PolarHBondContact O-N 2.88Å; L202-F251 HydrophobicContact CD2-CD1 4Å; L202-F251 HydrophobicContact CD2-CE1 4.25Å
203E95.7Very high96.1Very high88 Ų8844.8 Ų44.841%0.41125%0.254SS..SBendtrans-68.6166.8172.9-61.4-174.8156.800111.9R133 A199 T200 L201 N206R133-E203 WeakPolarHBondContact CD-OE2 3.41Å; R133-E203 IonicContact NE-OE2 3.73Å; A199-E203 PolarHBondContact O-N 3.25Å; T200-E203 WeakPolarHBondContact O-CB 3.29Å; T200-E203 PolarHBondContact O-N 3.16Å; L201-E203 VanDerWaalsContact C-N 3.32Å; E203-N206 PolarHBondContact O-ND2 2.98Å; E203-N206 VanDerWaalsContact O-ND2 3.1Å
204D95.6Very high96.1Very high65 Ų6538.8 Ų38.835%0.34822%0.217SC..SBendtrans-83.7163.917672.1-24.7000111.9S46 R133 N206S46-D204 CarbonylContact O-C 3.41Å; S46-D204 WeakPolarHBondContact O-CA 3.46Å; R133-D204 WeakPolarHBondContact CB-O 3.42Å; R133-D204 VanDerWaalsContact CD-O 3.29Å; R133-D204 WeakPolarHBondContact CD-O 3.22Å; R133-D204 IonicContact CZ-OD1 3.78Å; R133-D204 PolarHBondContact NE-O 2.97Å; R133-D204 VanDerWaalsContact NE-O 3.11Å; R133-D204 IonicContact NE-OD1 3.71Å; R133-D204 PolarHBondContact NE-OD1 3.23Å; R133-D204 IonicContact NH2-OD1 3.65Å; R133-D204 PolarHBondContact NH2-OD1 3.44Å; D204-N206 VanDerWaalsContact C-N 3.31Å; D204-N206 PolarHBondContact O-N 3.46Å
205K96.3Very high96Very high63 Ų6335.2 Ų35.227%0.27420%0.198SC..SBendtrans65.732174.8-57178.5178.7-166.70114.1S46 S132 R133 L335 G336 L337S46-K205 PolarHBondContact O-N 3.25Å; S132-K205 WeakPolarHBondContact CB-O 3.38Å; R133-K205 HydrophobicContact CB-CB 3.88Å; R133-K205 PolarHBondContact N-O 3.09Å; K205-L335 HydrophobicContact CB-CG 4.46Å; K205-G336 PolarHBondContact NZ-O 3.44Å; K205-L337 HydrophobicContact CB-CD2 3.74Å; K205-L337 HydrophobicContact CD-CD2 3.72Å; K205-L337 HydrophobicContact CG-CD2 3.68Å
206N97.6Very high96Very high0 Ų030.8 Ų30.80%017%0.167CC..EExtended strand (participates in β ladder)trans-88.5137176-76.1-23.1000111.5S46 R47 L48 S134 W136 T200 L201 E203 D204 F208S46-N206 PolarHBondContact O-N 2.85Å; R47-N206 CarbonylContact C-O 3.52Å; R47-N206 WeakPolarHBondContact CA-O 3.27Å; R47-N206 HydrophobicContact CB-CB 4.15Å; L48-N206 PolarHBondContact N-O 3.36Å; S134-N206 WeakPolarHBondContact O-CA 3.36Å; W136-N206 HydrophobicContact CZ3-CB 3.96Å; T200-N206 PolarHBondContact O-ND2 3.07Å; L201-N206 PolarHBondContact O-ND2 3.28Å; L201-N206 VanDerWaalsContact O-ND2 3.16Å; E203-N206 PolarHBondContact O-ND2 2.98Å; E203-N206 VanDerWaalsContact O-ND2 3.1Å; D204-N206 VanDerWaalsContact C-N 3.31Å; D204-N206 PolarHBondContact O-N 3.46Å; N206-F208 HydrophobicContact CB-CE2 4.45Å
207I98.4Very high95.6Very high1 Ų126.1 Ų26.11%0.00514%0.138CC..EExtended strand (participates in β ladder)trans-120.1135.8175.3-60.2-179.8000110.3L48 V128 F129 S134 T135 W136 L335 L337L48-I207 HydrophobicContact CD2-CG2 4.44Å; L48-I207 CarbonylContact O-C 3.34Å; L48-I207 WeakPolarHBondContact O-CA 3.36Å; V128-I207 HydrophobicContact CB-CD1 4.43Å; V128-I207 HydrophobicContact CG2-CD1 4.3Å; V128-I207 WeakPolarHBondContact O-CD1 3.22Å; F129-I207 HydrophobicContact CD1-CD1 3.98Å; F129-I207 HydrophobicContact CD1-CG2 4.06Å; F129-I207 HydrophobicContact CE1-CD1 4.48Å; F129-I207 HydrophobicContact CE1-CG2 3.79Å; S134-I207 PolarHBondContact O-N 3.23Å; T135-I207 CarbonylContact C-O 3.54Å; T135-I207 VanDerWaalsContact CA-O 3.28Å; T135-I207 WeakPolarHBondContact CA-O 3.37Å; T135-I207 HydrophobicContact CG2-CB 4.12Å; T135-I207 HydrophobicContact CG2-CG2 4.12Å; W136-I207 PolarHBondContact N-O 2.91Å; I207-L335 HydrophobicContact CD1-CD2 4.1Å; I207-L335 HydrophobicContact CG1-CD2 3.66Å; I207-L337 HydrophobicContact CD1-CD1 4.16Å
208F98.6Very high95.3Very high1 Ų125 Ų250%0.00413%0.132CC..EExtended strand (participates in β ladder)trans-115117.5170.4-57.2-82.1000108.4R47 L48 V49 L50 W136 W138 F187 F188 L201 N206 L210 M247 F251R47-F208 HydrophobicContact CB-CE2 4.31Å; L48-F208 PolarHBondContact O-N 3.49Å; V49-F208 CarbonylContact C-O 3.4Å; V49-F208 WeakPolarHBondContact CA-O 3.3Å; V49-F208 HydrophobicContact CG1-CB 4.29Å; V49-F208 HydrophobicContact CG2-CB 4.36Å; V49-F208 HydrophobicContact CG2-CD2 4.14Å; L50-F208 PolarHBondContact N-O 3.29Å; W136-F208 HydrophobicContact CB-CD1 4.32Å; W136-F208 HydrophobicContact CD2-CE1 4.19Å; W136-F208 AromaticContact CE3-CD1 3.94Å; W136-F208 HydrophobicContact CE3-CD1 3.94Å; W136-F208 AromaticContact CE3-CE1 3.5Å; W136-F208 HydrophobicContact CE3-CE1 3.5Å; W136-F208 HydrophobicContact CE3-CZ 4.06Å; W136-F208 HydrophobicContact CZ3-CE1 4Å; W136-F208 HydrophobicContact CZ3-CZ 4.1Å; W136-F208 WeakPolarHBondContact O-CA 3.32Å; W138-F208 HydrophobicContact CH2-CD1 4.04Å; W138-F208 HydrophobicContact CZ3-CB 4.32Å; W138-F208 HydrophobicContact CZ3-CD1 4.11Å; F187-F208 HydrophobicContact CE1-CE1 4.18Å; F188-F208 HydrophobicContact CE2-CD1 4.45Å; F188-F208 HydrophobicContact CE2-CE1 4.35Å; F188-F208 HydrophobicContact CZ-CD1 4.23Å; F188-F208 AromaticContact CZ-CE1 3.8Å; F188-F208 HydrophobicContact CZ-CE1 3.8Å; F188-F208 AromaticContact CZ-CZ 3.97Å; F188-F208 HydrophobicContact CZ-CZ 3.97Å; L201-F208 HydrophobicContact CD2-CE1 3.65Å; L201-F208 HydrophobicContact CD2-CZ 3.68Å; N206-F208 HydrophobicContact CB-CE2 4.45Å; F208-L210 HydrophobicContact CB-CD1 4.45Å; F208-M247 HydrophobicContact CB-CE 3.9Å; F208-M247 HydrophobicContact CD1-CE 4.26Å; F208-M247 HydrophobicContact CD2-CE 4.21Å; F208-M247 HydrophobicContact CG-CE 3.85Å; F208-F251 HydrophobicContact CE2-CZ 4.42Å; F208-F251 HydrophobicContact CZ-CZ 4.3Å
209F98.5Very high95Very high0 Ų020.6 Ų20.60%011%0.113CC..EExtended strand (participates in β ladder)trans-111.2119-178.9176.6-135.8000111.1L50 V52 H100 I104 F129 W136 C137 W138 L144 H211L50-F209 HydrophobicContact CB-CD2 4.08Å; L50-F209 HydrophobicContact CD2-CD2 3.72Å; L50-F209 HydrophobicContact CD2-CE2 4Å; L50-F209 HydrophobicContact CG-CD2 3.78Å; L50-F209 HydrophobicContact CG-CE2 4.15Å; L50-F209 WeakPolarHBondContact O-CA 3.39Å; V52-F209 HydrophobicContact CB-CE2 4.06Å; V52-F209 HydrophobicContact CG2-CE2 3.74Å; H100-F209 AromaticContact CD2-CZ 3.75Å; H100-F209 AromaticContact NE2-CZ 3.89Å; I104-F209 HydrophobicContact CD1-CE1 4.43Å; I104-F209 HydrophobicContact CD1-CZ 4.27Å; F129-F209 HydrophobicContact CE1-CB 4.45Å; F129-F209 HydrophobicContact CE2-CB 4.36Å; F129-F209 AromaticContact CE2-CD1 3.79Å; F129-F209 HydrophobicContact CE2-CD1 3.79Å; F129-F209 HydrophobicContact CE2-CE1 4.38Å; F129-F209 HydrophobicContact CE2-CG 4.16Å; F129-F209 HydrophobicContact CZ-CB 3.8Å; F129-F209 AromaticContact CZ-CD1 3.8Å; F129-F209 HydrophobicContact CZ-CD1 3.8Å; F129-F209 HydrophobicContact CZ-CD2 4.28Å; F129-F209 HydrophobicContact CZ-CE1 4.47Å; F129-F209 AromaticContact CZ-CG 3.69Å; F129-F209 HydrophobicContact CZ-CG 3.69Å; W136-F209 PolarHBondContact O-N 3.44Å; C137-F209 CarbonylContact C-O 3.55Å; C137-F209 VanDerWaalsContact CA-O 3.31Å; C137-F209 WeakPolarHBondContact CA-O 3.28Å; C137-F209 HydrophobicContact CB-CB 4.33Å; C137-F209 HydrophobicContact CB-CD1 4.03Å; W138-F209 PolarHBondContact N-O 3.14Å; L144-F209 HydrophobicContact CD1-CE1 4.01Å; F209-H211 HydrophobicContact CE1-CB 4.09Å; F209-H211 HydrophobicContact CE2-CB 4.32Å; F209-H211 HydrophobicContact CZ-CB 3.77Å
210L98.6Very high94.4Very high0 Ų021 Ų210%011%0.105CC..EExtended strand (participates in β ladder)trans-112110.9176.6-75.369.4000108.3V49 L50 I51 V52 W138 V180 F181 V184 F208 V243V49-L210 HydrophobicContact CG1-CD1 4.3Å; L50-L210 PolarHBondContact O-N 3.3Å; I51-L210 HydrophobicContact CG1-CB 4.4Å; V52-L210 PolarHBondContact N-O 2.91Å; W138-L210 HydrophobicContact CE3-CD1 4.09Å; W138-L210 HydrophobicContact CZ3-CD1 4.28Å; V180-L210 HydrophobicContact CG1-CB 4.07Å; V180-L210 HydrophobicContact CG1-CD2 4.25Å; V180-L210 HydrophobicContact CG1-CG 3.96Å; F181-L210 HydrophobicContact CD1-CD2 4.33Å; F181-L210 HydrophobicContact CE1-CD2 4.27Å; V184-L210 HydrophobicContact CG2-CD1 4.18Å; V184-L210 HydrophobicContact CG2-CD2 3.92Å; V184-L210 HydrophobicContact CG2-CG 3.93Å; F208-L210 HydrophobicContact CB-CD1 4.45Å; L210-V243 HydrophobicContact CD2-CG1 4.3Å; L210-V243 HydrophobicContact CD2-CG2 4.4Å
211H97.9Very high93.6Very high0 Ų021.3 Ų21.30%011%0.112CC..EExtended strand (participates in β ladder)trans-100113.4174.7175.3-96.5000110D54 H100 W138 G139 S140 L144 F209D54-H211 IonicContact OD2-CE1 3.29Å; D54-H211 IonicContact OD2-NE2 2.82Å; D54-H211 PolarHBondContact OD2-NE2 3.41Å; H100-H211 AromaticContact CE1-CD2 3.48Å; H100-H211 PolarHBondContact CE1-CD2 3.1Å; H100-H211 VanDerWaalsContact CE1-CD2 3.48Å; H100-H211 AromaticContact CE1-NE2 3.45Å; H100-H211 PolarHBondContact CE1-NE2 3.22Å; H100-H211 AromaticContact NE2-CD2 3.15Å; H100-H211 PolarHBondContact NE2-CD2 3.04Å; H100-H211 AromaticContact NE2-NE2 3.65Å; W138-H211 PolarHBondContact O-N 2.89Å; G139-H211 WeakPolarHBondContact CA-O 3.45Å; S140-H211 PolarHBondContact N-ND1 3.39Å; L144-H211 HydrophobicContact CD1-CB 3.85Å; F209-H211 HydrophobicContact CE1-CB 4.09Å; F209-H211 HydrophobicContact CE2-CB 4.32Å; F209-H211 HydrophobicContact CZ-CB 3.77Å
212L97.7Very high92.9Very high0 Ų024 Ų240%012%0.124CC..EExtended strand (participates in β ladder)trans-110.2101.4-172.3-54.4177.4000109.7I51 V52 D54 D177 V180 F181 V236I51-L212 HydrophobicContact CG2-CD1 3.78Å; V52-L212 PolarHBondContact O-N 3.39Å; D54-L212 WeakPolarHBondContact CB-O 3.05Å; D54-L212 PolarHBondContact N-O 3.46Å; D177-L212 HydrophobicContact CB-CD2 4.21Å; D177-L212 WeakPolarHBondContact OD1-CA 3.46Å; D177-L212 WeakPolarHBondContact OD1-CB 3.38Å; V180-L212 HydrophobicContact CB-CD2 3.8Å; V180-L212 HydrophobicContact CG1-CD2 3.63Å; V180-L212 HydrophobicContact CG2-CD2 4.27Å; F181-L212 HydrophobicContact CE1-CD1 4.25Å; F181-L212 HydrophobicContact CE1-CD2 4.28Å; F181-L212 HydrophobicContact CE2-CD2 4.4Å; F181-L212 HydrophobicContact CZ-CD1 3.72Å; F181-L212 HydrophobicContact CZ-CD2 4.06Å; L212-V236 HydrophobicContact CD1-CG1 3.71Å; L212-V236 HydrophobicContact CD1-CG2 4.15Å
213L94.3Very high92.5Very high14 Ų1424.7 Ų24.77%0.07312%0.12CC..  trans-89-13.2-172.7-173.662.1000114.1D54 Y161 E166 L176 D177 I215 D216 T217D54-L213 HydrophobicContact CB-CD1 4.19Å; Y161-L213 WeakPolarHBondContact OH-CB 3.4Å; Y161-L213 VanDerWaalsContact OH-CD2 3.25Å; Y161-L213 WeakPolarHBondContact OH-CD2 3.33Å; E166-L213 HydrophobicContact CG-CD2 3.92Å; E166-L213 VanDerWaalsContact OE1-CD2 3.25Å; E166-L213 WeakPolarHBondContact OE1-CD2 3.31Å; L176-L213 HydrophobicContact CD1-CB 4.32Å; L176-L213 HydrophobicContact CD1-CD2 4.16Å; L176-L213 HydrophobicContact CD1-CG 4.35Å; D177-L213 PolarHBondContact OD1-N 2.79Å; L213-I215 VanDerWaalsContact C-N 3.31Å; L213-I215 PolarHBondContact O-N 3.49Å; L213-D216 HydrophobicContact CD1-CB 4.22Å; L213-D216 PolarHBondContact O-N 3.31Å; L213-T217 PolarHBondContact O-N 3.38Å; L213-T217 VanDerWaalsContact O-N 3.11Å; L213-T217 PolarHBondContact O-OG1 2.67Å
214G92.9Very high92.1Very high0 Ų021 Ų210%010%0.104CC..Hα-helixtrans-61.7-35.7-170.300000113.9D177 N218 N232D177-G214 PolarHBondContact OD1-N 2.86Å; D177-G214 WeakPolarHBondContact OD2-CA 3.49Å; D177-G214 PolarHBondContact OD2-N 3.19Å; G214-N218 WeakPolarHBondContact O-CB 3.34Å; G214-N218 PolarHBondContact O-N 3.07Å; G214-N218 PolarHBondContact O-ND2 2.89Å; G214-N232 VanDerWaalsContact C-OD1 3.23Å; G214-N232 PolarHBondContact O-OD1 3.26Å
215I95.6Very high91.7Very high0 Ų023 Ų230%011%0.112CC..Hα-helixtrans-65.6-49.1178.9-68.4167.7000111.2A53 D54 L56 L213 N218 G219 Y229 N232 I233 V236A53-I215 HydrophobicContact CB-CD1 4.01Å; D54-I215 WeakPolarHBondContact O-CB 3.45Å; L56-I215 HydrophobicContact CB-CG2 4.22Å; L56-I215 HydrophobicContact CD1-CD1 4.42Å; L56-I215 HydrophobicContact CD1-CG2 4.41Å; L213-I215 VanDerWaalsContact C-N 3.31Å; L213-I215 PolarHBondContact O-N 3.49Å; I215-N218 PolarHBondContact O-N 3.27Å; I215-G219 PolarHBondContact O-N 3.42Å; I215-Y229 HydrophobicContact CG2-CD2 3.98Å; I215-Y229 HydrophobicContact CG2-CE2 3.31Å; I215-Y229 VanDerWaalsContact O-CD2 3.31Å; I215-Y229 WeakPolarHBondContact O-CD2 3.45Å; I215-Y229 WeakPolarHBondContact O-CE2 3.22Å; I215-N232 HydrophobicContact CG1-CB 4.14Å; I215-N232 WeakPolarHBondContact CG1-ND2 3.38Å; I215-I233 HydrophobicContact CD1-CG1 3.88Å; I215-I233 HydrophobicContact CG1-CG1 4.16Å; I215-I233 HydrophobicContact CG2-CG1 4.39Å; I215-V236 HydrophobicContact CD1-CB 4.2Å; I215-V236 HydrophobicContact CD1-CG2 3.79Å; I215-V236 HydrophobicContact CG1-CG2 4.33Å
216D92.2Very high91.5Very high5 Ų520.9 Ų20.93%0.02711%0.106CC..Hα-helixtrans-59.5-46.9176.3-17663.9000111.8D54 L213 N218 G219 H220 H265 M267 H273D54-D216 HydrophobicContact CB-CB 4.09Å; D54-D216 PolarHBondContact O-N 2.9Å; D54-D216 WeakPolarHBondContact OD1-CB 3.37Å; L213-D216 HydrophobicContact CD1-CB 4.22Å; L213-D216 PolarHBondContact O-N 3.31Å; D216-N218 VanDerWaalsContact C-N 3.35Å; D216-N218 PolarHBondContact O-N 3.47Å; D216-G219 CarbonylContact O-C 3.5Å; D216-G219 VanDerWaalsContact O-CA 3.29Å; D216-G219 WeakPolarHBondContact O-CA 3.37Å; D216-G219 PolarHBondContact O-N 3.1Å; D216-H220 PolarHBondContact O-CD2 3.43Å; D216-H220 VanDerWaalsContact O-CD2 3.29Å; D216-H220 PolarHBondContact O-N 2.88Å; D216-H220 IonicContact OD1-CD2 2.74Å; D216-H220 IonicContact OD1-NE2 3.6Å; D216-H220 PolarHBondContact OD1-NE2 3.18Å; D216-H220 IonicContact OD2-CD2 2.98Å; D216-H220 PolarHBondContact OD2-CD2 3.32Å; D216-H220 IonicContact OD2-NE2 3.4Å; D216-H220 PolarHBondContact OD2-NE2 3.14Å; D216-H220 VanDerWaalsContact OD2-NE2 3.16Å; D216-H265 IonicContact OD1-CE1 3.48Å; D216-H265 PolarHBondContact OD1-CE1 3.13Å; D216-M267 WeakPolarHBondContact OD1-CE 3.36Å; D216-H273 IonicContact OD1-CD2 3.32Å; D216-H273 IonicContact OD1-NE2 3.32Å
217T87Confident91.1Very high3 Ų326.7 Ų26.72%0.01813%0.133CC..Hα-helixtrans-58.6-46.1179.5-55.30000111.5F168 A173 L213 G219 H220 A221F168-T217 HydrophobicContact CD1-CG2 3.68Å; F168-T217 HydrophobicContact CE1-CG2 4.05Å; F168-T217 HydrophobicContact CG-CG2 4.34Å; A173-T217 HydrophobicContact CB-CG2 3.4Å; L213-T217 PolarHBondContact O-N 3.38Å; L213-T217 VanDerWaalsContact O-N 3.11Å; L213-T217 PolarHBondContact O-OG1 2.67Å; T217-G219 VanDerWaalsContact C-N 3.31Å; T217-G219 PolarHBondContact O-N 3.16Å; T217-H220 PolarHBondContact O-N 3.19Å; T217-A221 WeakPolarHBondContact O-CB 3.34Å; T217-A221 PolarHBondContact O-N 2.96Å
218N88.8Confident90.8Very high5 Ų530.5 Ų30.53%0.02715%0.151CC..Hα-helixtrans-66.5-33173.6-80.5-42.9000112.2G214 I215 D216 H222 R223 N232G214-N218 WeakPolarHBondContact O-CB 3.34Å; G214-N218 PolarHBondContact O-N 3.07Å; G214-N218 PolarHBondContact O-ND2 2.89Å; I215-N218 PolarHBondContact O-N 3.27Å; D216-N218 VanDerWaalsContact C-N 3.35Å; D216-N218 PolarHBondContact O-N 3.47Å; N218-H222 WeakPolarHBondContact O-CA 3.42Å; N218-H222 WeakPolarHBondContact O-CB 3.31Å; N218-H222 PolarHBondContact O-N 3.43Å; N218-R223 PolarHBondContact O-N 3.32Å; N218-N232 PolarHBondContact ND2-OD1 2.77Å
219G89.1Confident90.6Very high0 Ų030.5 Ų30.50%015%0.151CC..Hα-helixtrans-61.3-45.1175.200000112.5I215 D216 T217 R223 G271I215-G219 PolarHBondContact O-N 3.42Å; D216-G219 CarbonylContact O-C 3.5Å; D216-G219 VanDerWaalsContact O-CA 3.29Å; D216-G219 WeakPolarHBondContact O-CA 3.37Å; D216-G219 PolarHBondContact O-N 3.1Å; T217-G219 VanDerWaalsContact C-N 3.31Å; T217-G219 PolarHBondContact O-N 3.16Å; G219-R223 CarbonylContact O-C 3.43Å; G219-R223 WeakPolarHBondContact O-CA 3.46Å; G219-R223 PolarHBondContact O-N 3.48Å; G219-G271 WeakPolarHBondContact O-CA 3.19Å
220H81.5Confident90.4Very high62 Ų6231.3 Ų31.329%0.28716%0.155SC..Hα-helixtrans-68.5-47.2174.2-74.1-70.1000112.6F168 D216 T217 G271 H273F168-H220 HydrophobicContact CD1-CB 3.97Å; F168-H220 HydrophobicContact CE1-CB 4.15Å; F168-H220 AromaticContact CE1-CD2 3.82Å; D216-H220 PolarHBondContact O-CD2 3.43Å; D216-H220 VanDerWaalsContact O-CD2 3.29Å; D216-H220 PolarHBondContact O-N 2.88Å; D216-H220 IonicContact OD1-CD2 2.74Å; D216-H220 IonicContact OD1-NE2 3.6Å; D216-H220 PolarHBondContact OD1-NE2 3.18Å; D216-H220 IonicContact OD2-CD2 2.98Å; D216-H220 PolarHBondContact OD2-CD2 3.32Å; D216-H220 IonicContact OD2-NE2 3.4Å; D216-H220 PolarHBondContact OD2-NE2 3.14Å; D216-H220 VanDerWaalsContact OD2-NE2 3.16Å; T217-H220 PolarHBondContact O-N 3.19Å; H220-G271 PolarHBondContact ND1-O 2.86Å; H220-G271 VanDerWaalsContact ND1-O 3.12Å; H220-H273 AromaticContact CE1-CD2 3.2Å; H220-H273 PolarHBondContact CE1-CD2 3.35Å; H220-H273 AromaticContact CE1-NE2 3.16Å; H220-H273 PolarHBondContact CE1-NE2 3.38Å; H220-H273 AromaticContact NE2-CD2 3.2Å; H220-H273 PolarHBondContact NE2-CD2 3.43Å; H220-H273 AromaticContact NE2-NE2 2.86Å; H220-H273 PolarHBondContact NE2-NE2 3.12Å
221A78.4Confident90.2Very high46 Ų4635.3 Ų35.338%0.3818%0.177SC..Hα-helixtrans-77.4-40.1-170.400000113.3F168 T217F168-A221 WeakPolarHBondContact O-CB 3.34Å; T217-A221 WeakPolarHBondContact O-CB 3.34Å; T217-A221 PolarHBondContact O-N 2.96Å
222H81.9Confident90.2Very high57 Ų5735.4 Ų35.426%0.26418%0.177SC..Hα-helixtrans-113.3-6.7-173.4-61.5-113.1000113.4N218 S226 E228N218-H222 WeakPolarHBondContact O-CA 3.42Å; N218-H222 WeakPolarHBondContact O-CB 3.31Å; N218-H222 PolarHBondContact O-N 3.43Å; H222-S226 VanDerWaalsContact CB-OG 3.3Å; H222-S226 WeakPolarHBondContact CB-OG 3.2Å; H222-S226 VanDerWaalsContact O-CB 3.28Å; H222-S226 WeakPolarHBondContact O-CB 3.48Å; H222-E228 HydrophobicContact CB-CB 4.28Å; H222-E228 IonicContact CE1-OE1 3.03Å; H222-E228 PolarHBondContact CE1-OE1 3.16Å; H222-E228 WeakPolarHBondContact ND1-CG 3.4Å; H222-E228 IonicContact ND1-OE1 3.99Å; H222-E228 PolarHBondContact ND1-OE1 3.39Å; H222-E228 IonicContact ND1-OE2 3.44Å
223R87Confident90.2Very high108 Ų10835.5 Ų35.541%0.40818%0.178SC..  trans72150.8-173.7-50.4175.1-179.5167.3-0.1112.8N218 G219 S226 W270N218-R223 PolarHBondContact O-N 3.32Å; G219-R223 CarbonylContact O-C 3.43Å; G219-R223 WeakPolarHBondContact O-CA 3.46Å; G219-R223 PolarHBondContact O-N 3.48Å; R223-S226 VanDerWaalsContact O-CB 3.3Å; R223-S226 WeakPolarHBondContact O-CB 3.49Å; R223-S226 PolarHBondContact O-N 3.32Å; R223-S226 PolarHBondContact O-OG 3.15Å; R223-W270 VanDerWaalsContact NH2-CZ3 3.31Å
224P87.3Confident90.3Very high10 Ų1036.2 Ų36.27%0.06519%0.185CC..THydrogen-bonded Turntrans-57.8150171.7-29.239.3000112.1S226 Y229 M267 T268P224-S226 PolarHBondContact O-N 2.91Å; P224-Y229 HydrophobicContact CB-CD1 4.47Å; P224-Y229 HydrophobicContact CB-CE1 4.28Å; P224-M267 HydrophobicContact CG-CB 3.73Å; P224-M267 HydrophobicContact CG-CG 3.38Å; P224-T268 VanDerWaalsContact CD-O 3.26Å; P224-T268 WeakPolarHBondContact CD-O 3.26Å; P224-T268 WeakPolarHBondContact CG-O 3.35Å
225M87.1Confident90.6Very high107 Ų10738.7 Ų38.753%0.52720%0.198SC..THydrogen-bonded Turntrans70.60.5-174.5-47.4-59.7-66.600115.6L230M225-L230 HydrophobicContact SD-CD2 4.16Å
226S90.3Very high90.7Very high20 Ų2038.8 Ų38.814%0.1420%0.199CC..SBendtrans-63.4157.8164.458.90000111.4H222 R223 P224 E228 Y229 L230H222-S226 VanDerWaalsContact CB-OG 3.3Å; H222-S226 WeakPolarHBondContact CB-OG 3.2Å; H222-S226 VanDerWaalsContact O-CB 3.28Å; H222-S226 WeakPolarHBondContact O-CB 3.48Å; R223-S226 VanDerWaalsContact O-CB 3.3Å; R223-S226 WeakPolarHBondContact O-CB 3.49Å; R223-S226 PolarHBondContact O-N 3.32Å; R223-S226 PolarHBondContact O-OG 3.15Å; P224-S226 PolarHBondContact O-N 2.91Å; S226-E228 VanDerWaalsContact C-N 3.25Å; S226-E228 PolarHBondContact O-N 3.31Å; S226-Y229 PolarHBondContact O-N 3.47Å; S226-Y229 VanDerWaalsContact OG-CB 3.26Å; S226-Y229 WeakPolarHBondContact OG-CB 3.39Å; S226-Y229 PolarHBondContact OG-N 3.42Å; S226-L230 WeakPolarHBondContact O-CB 3.37Å; S226-L230 WeakPolarHBondContact O-CG 3.31Å; S226-L230 PolarHBondContact O-N 2.97Å
227Q91Very high91Very high121 Ų12138.8 Ų38.857%0.56520%0.199SC*.Hα-helixtrans-62.1-39.3179.1-171.261.937.400110.5L230 D231Q227-L230 PolarHBondContact O-N 3.34Å; Q227-D231 WeakPolarHBondContact CG-OD2 3.35Å; Q227-D231 PolarHBondContact NE2-OD1 2.91Å; Q227-D231 PolarHBondContact NE2-OD2 3.03Å; Q227-D231 VanDerWaalsContact O-CB 3.25Å; Q227-D231 WeakPolarHBondContact O-CB 3.32Å; Q227-D231 VanDerWaalsContact O-CG 3.22Å; Q227-D231 PolarHBondContact O-N 3.4Å
228E91.4Very high91.6Very high82 Ų8242.2 Ų42.238%0.38322%0.22SC..Hα-helixtrans-62.7-46.6178.2-61.889.715300112H222 S226 N232H222-E228 HydrophobicContact CB-CB 4.28Å; H222-E228 IonicContact CE1-OE1 3.03Å; H222-E228 PolarHBondContact CE1-OE1 3.16Å; H222-E228 WeakPolarHBondContact ND1-CG 3.4Å; H222-E228 IonicContact ND1-OE1 3.99Å; H222-E228 PolarHBondContact ND1-OE1 3.39Å; H222-E228 IonicContact ND1-OE2 3.44Å; S226-E228 VanDerWaalsContact C-N 3.25Å; S226-E228 PolarHBondContact O-N 3.31Å; E228-N232 WeakPolarHBondContact O-CB 3.23Å; E228-N232 PolarHBondContact O-N 2.93Å
229Y93.4Very high92Very high0 Ų042.2 Ų42.20%022%0.221CC..Hα-helixtrans-61.3-45.7175.2-178.4-97.5000111.7G55 R57 I215 P224 S226 N232 I233G55-Y229 PolarHBondContact O-OH 3.41Å; R57-Y229 PolarHBondContact N-OH 3.15Å; I215-Y229 HydrophobicContact CG2-CD2 3.98Å; I215-Y229 HydrophobicContact CG2-CE2 3.31Å; I215-Y229 VanDerWaalsContact O-CD2 3.31Å; I215-Y229 WeakPolarHBondContact O-CD2 3.45Å; I215-Y229 WeakPolarHBondContact O-CE2 3.22Å; P224-Y229 HydrophobicContact CB-CD1 4.47Å; P224-Y229 HydrophobicContact CB-CE1 4.28Å; S226-Y229 PolarHBondContact O-N 3.47Å; S226-Y229 VanDerWaalsContact OG-CB 3.26Å; S226-Y229 WeakPolarHBondContact OG-CB 3.39Å; S226-Y229 PolarHBondContact OG-N 3.42Å; Y229-N232 PolarHBondContact O-N 2.91Å; Y229-I233 HydrophobicContact CD1-CD1 3.91Å; Y229-I233 HydrophobicContact CE1-CD1 3.56Å; Y229-I233 WeakPolarHBondContact O-CG1 3.28Å; Y229-I233 PolarHBondContact O-N 3.39Å
230L94.8Very high92.5Very high18 Ų1842.2 Ų42.29%0.09422%0.221CC..Hα-helixtrans-71-42.2-177.3-63175000112R71 M225 S226 Q227 N232 I233 A234R71-L230 WeakPolarHBondContact CD-O 3.33Å; M225-L230 HydrophobicContact SD-CD2 4.16Å; S226-L230 WeakPolarHBondContact O-CB 3.37Å; S226-L230 WeakPolarHBondContact O-CG 3.31Å; S226-L230 PolarHBondContact O-N 2.97Å; Q227-L230 PolarHBondContact O-N 3.34Å; L230-N232 VanDerWaalsContact C-N 3.29Å; L230-N232 PolarHBondContact O-N 2.93Å; L230-I233 HydrophobicContact CD2-CD1 4.42Å; L230-I233 WeakPolarHBondContact O-CB 3.3Å; L230-I233 PolarHBondContact O-N 2.89Å; L230-I233 VanDerWaalsContact O-N 3.1Å; L230-A234 PolarHBondContact O-N 3.12Å
231D95.1Very high93.3Very high84 Ų8440.6 Ų40.645%0.44922%0.219SC..Hα-helixtrans-65.3-34.7177.1-73.2-17.2000111.5Q227 I233 A234 L235Q227-D231 WeakPolarHBondContact CG-OD2 3.35Å; Q227-D231 PolarHBondContact NE2-OD1 2.91Å; Q227-D231 PolarHBondContact NE2-OD2 3.03Å; Q227-D231 VanDerWaalsContact O-CB 3.25Å; Q227-D231 WeakPolarHBondContact O-CB 3.32Å; Q227-D231 VanDerWaalsContact O-CG 3.22Å; Q227-D231 PolarHBondContact O-N 3.4Å; D231-I233 VanDerWaalsContact C-N 3.3Å; D231-I233 PolarHBondContact O-N 3.49Å; D231-A234 WeakPolarHBondContact O-CB 3.3Å; D231-A234 PolarHBondContact O-N 3.16Å; D231-L235 PolarHBondContact O-N 3.07Å
232N96.8Very high94.2Very high2 Ų242.8 Ų42.81%0.01122%0.221CC..Hα-helixtrans-62.6-37.6172.4-157.8136.1000111.7S174 D177 G214 I215 N218 E228 Y229 L230 A234 L235 V236S174-N232 WeakPolarHBondContact CA-OD1 3.33Å; S174-N232 WeakPolarHBondContact CB-OD1 3.5Å; D177-N232 PolarHBondContact OD2-ND2 2.91Å; G214-N232 VanDerWaalsContact C-OD1 3.23Å; G214-N232 PolarHBondContact O-OD1 3.26Å; I215-N232 HydrophobicContact CG1-CB 4.14Å; I215-N232 WeakPolarHBondContact CG1-ND2 3.38Å; N218-N232 PolarHBondContact ND2-OD1 2.77Å; E228-N232 WeakPolarHBondContact O-CB 3.23Å; E228-N232 PolarHBondContact O-N 2.93Å; Y229-N232 PolarHBondContact O-N 2.91Å; L230-N232 VanDerWaalsContact C-N 3.29Å; L230-N232 PolarHBondContact O-N 2.93Å; N232-A234 VanDerWaalsContact C-N 3.33Å; N232-A234 PolarHBondContact O-N 2.84Å; N232-L235 WeakPolarHBondContact O-CB 3.21Å; N232-L235 PolarHBondContact O-N 3.31Å; N232-V236 WeakPolarHBondContact O-CG2 3.47Å; N232-V236 PolarHBondContact O-N 2.93Å
233I97.8Very high95Very high2 Ų240.1 Ų40.11%0.0121%0.209CC..Hα-helixtrans-62-42.1174.4-66.3169.4000110.8L56 T72 I215 Y229 L230 D231 V236 D237L56-I233 HydrophobicContact CD1-CD1 3.56Å; L56-I233 HydrophobicContact CD1-CG1 3.73Å; L56-I233 HydrophobicContact CD1-CG2 4.46Å; T72-I233 HydrophobicContact CG2-CG2 3.47Å; T72-I233 VanDerWaalsContact CG2-CG2 3.47Å; I215-I233 HydrophobicContact CD1-CG1 3.88Å; I215-I233 HydrophobicContact CG1-CG1 4.16Å; I215-I233 HydrophobicContact CG2-CG1 4.39Å; Y229-I233 HydrophobicContact CD1-CD1 3.91Å; Y229-I233 HydrophobicContact CE1-CD1 3.56Å; Y229-I233 WeakPolarHBondContact O-CG1 3.28Å; Y229-I233 PolarHBondContact O-N 3.39Å; L230-I233 HydrophobicContact CD2-CD1 4.42Å; L230-I233 WeakPolarHBondContact O-CB 3.3Å; L230-I233 PolarHBondContact O-N 2.89Å; L230-I233 VanDerWaalsContact O-N 3.1Å; D231-I233 VanDerWaalsContact C-N 3.3Å; D231-I233 PolarHBondContact O-N 3.49Å; I233-V236 PolarHBondContact O-N 3.41Å; I233-D237 PolarHBondContact O-N 2.71Å
234A97.4Very high95.5Very high29 Ų2935.8 Ų35.824%0.2419%0.194CC..Hα-helixtrans-66-37.9176.300000112.4R71 L230 D231 N232 D237 T238R71-A234 HydrophobicContact CG-CB 3.93Å; L230-A234 PolarHBondContact O-N 3.12Å; D231-A234 WeakPolarHBondContact O-CB 3.3Å; D231-A234 PolarHBondContact O-N 3.16Å; N232-A234 VanDerWaalsContact C-N 3.33Å; N232-A234 PolarHBondContact O-N 2.84Å; A234-D237 PolarHBondContact O-N 3.36Å; A234-T238 PolarHBondContact O-N 2.84Å; A234-T238 VanDerWaalsContact O-N 3.08Å; A234-T238 PolarHBondContact O-OG1 3.18Å
235L97.9Very high96.1Very high52 Ų5238.3 Ų38.327%0.27221%0.212SC..Hα-helixtrans-62.3-44.5174.1-179.5148.4000111.3D177 F181 D231 N232 T238 G239D177-L235 HydrophobicContact CB-CD2 4.14Å; F181-L235 HydrophobicContact CE2-CD2 4.28Å; D231-L235 PolarHBondContact O-N 3.07Å; N232-L235 WeakPolarHBondContact O-CB 3.21Å; N232-L235 PolarHBondContact O-N 3.31Å; L235-T238 PolarHBondContact O-N 2.84Å; L235-G239 PolarHBondContact O-N 3Å
236V98.4Very high96.6Very high2 Ų234.6 Ų34.61%0.01219%0.194CC..Hα-helixtrans-62.5-45.1177166.50000111.1A53 D177 L212 I215 N232 I233 T238 G239 V240 F261A53-V236 HydrophobicContact CB-CG1 4.48Å; D177-V236 HydrophobicContact CB-CG2 4.3Å; D177-V236 WeakPolarHBondContact OD2-CG2 3.48Å; L212-V236 HydrophobicContact CD1-CG1 3.71Å; L212-V236 HydrophobicContact CD1-CG2 4.15Å; I215-V236 HydrophobicContact CD1-CB 4.2Å; I215-V236 HydrophobicContact CD1-CG2 3.79Å; I215-V236 HydrophobicContact CG1-CG2 4.33Å; N232-V236 WeakPolarHBondContact O-CG2 3.47Å; N232-V236 PolarHBondContact O-N 2.93Å; I233-V236 PolarHBondContact O-N 3.41Å; V236-T238 VanDerWaalsContact C-N 3.31Å; V236-T238 PolarHBondContact O-N 3Å; V236-G239 PolarHBondContact O-N 2.94Å; V236-V240 HydrophobicContact CG1-CG2 4.21Å; V236-V240 WeakPolarHBondContact O-CB 3.4Å; V236-V240 VanDerWaalsContact O-CG2 3.23Å; V236-V240 WeakPolarHBondContact O-CG2 3.41Å; V236-V240 PolarHBondContact O-N 3.25Å; V236-F261 HydrophobicContact CG1-CE2 3.93Å; V236-F261 HydrophobicContact CG1-CZ 4.24Å
237D98.6Very high96.9Very high4 Ų433.7 Ų33.72%0.02119%0.188CC..Hα-helixtrans-57.1-44.9175.7-175.980.6000112.2T72 P73 F74 L75 I233 A234 V240 A241T72-D237 VanDerWaalsContact C-CG 3.48Å; T72-D237 VanDerWaalsContact C-OD1 3.29Å; T72-D237 WeakPolarHBondContact CA-OD1 3.46Å; T72-D237 VanDerWaalsContact CB-OD1 3.3Å; T72-D237 WeakPolarHBondContact CB-OD1 3.3Å; T72-D237 HydrophobicContact CG2-CB 3.96Å; P73-D237 WeakPolarHBondContact CD-OD2 3.5Å; F74-D237 WeakPolarHBondContact CB-OD2 3.4Å; F74-D237 PolarHBondContact N-OD1 3.35Å; F74-D237 PolarHBondContact N-OD2 3.41Å; L75-D237 WeakPolarHBondContact CB-OD1 3.47Å; L75-D237 VanDerWaalsContact CG-OD1 3.31Å; L75-D237 WeakPolarHBondContact CG-OD1 3.33Å; L75-D237 PolarHBondContact N-OD1 3.31Å; I233-D237 PolarHBondContact O-N 2.71Å; A234-D237 PolarHBondContact O-N 3.36Å; D237-V240 PolarHBondContact O-N 2.77Å; D237-A241 PolarHBondContact O-N 2.9Å
238T98.5Very high97.3Very high75 Ų7529.5 Ų29.546%0.4617%0.168SC..Hα-helixtrans-64-47.2177.6-55.30000111.4A234 L235 V236 V240 A241 E242A234-T238 PolarHBondContact O-N 2.84Å; A234-T238 VanDerWaalsContact O-N 3.08Å; A234-T238 PolarHBondContact O-OG1 3.18Å; L235-T238 PolarHBondContact O-N 2.84Å; V236-T238 VanDerWaalsContact C-N 3.31Å; V236-T238 PolarHBondContact O-N 3Å; T238-V240 VanDerWaalsContact C-N 3.33Å; T238-V240 PolarHBondContact O-N 3.24Å; T238-A241 WeakPolarHBondContact O-CB 3.13Å; T238-A241 PolarHBondContact O-N 2.87Å; T238-E242 WeakPolarHBondContact O-CG 3.26Å; T238-E242 PolarHBondContact O-N 3.06Å; T238-E242 VanDerWaalsContact O-N 3.08Å
239G98.3Very high97.6Very high5 Ų530 Ų305%0.05217%0.173CC..Hα-helixtrans-63.2-37.9178.600000112.8L235 V236 E242 V243L235-G239 PolarHBondContact O-N 3Å; V236-G239 PolarHBondContact O-N 2.94Å; G239-E242 PolarHBondContact O-N 2.78Å; G239-V243 WeakPolarHBondContact O-CG2 3.37Å; G239-V243 PolarHBondContact O-N 2.92Å
240V98.6Very high97.8Very high0 Ų031.1 Ų31.10%018%0.178CC..Hα-helixtrans-63.5-46.2173.8170.30000110.8I51 F74 F181 V236 D237 T238 E242 V243 V244 F261 W288I51-V240 HydrophobicContact CD1-CG1 3.93Å; I51-V240 HydrophobicContact CD1-CG2 4.14Å; I51-V240 HydrophobicContact CG2-CG2 4.02Å; F74-V240 HydrophobicContact CD1-CG1 4.1Å; F74-V240 HydrophobicContact CE1-CG1 3.77Å; F181-V240 HydrophobicContact CE1-CG2 4.35Å; F181-V240 HydrophobicContact CZ-CG2 4.29Å; V236-V240 HydrophobicContact CG1-CG2 4.21Å; V236-V240 WeakPolarHBondContact O-CB 3.4Å; V236-V240 VanDerWaalsContact O-CG2 3.23Å; V236-V240 WeakPolarHBondContact O-CG2 3.41Å; V236-V240 PolarHBondContact O-N 3.25Å; D237-V240 PolarHBondContact O-N 2.77Å; T238-V240 VanDerWaalsContact C-N 3.33Å; T238-V240 PolarHBondContact O-N 3.24Å; V240-E242 VanDerWaalsContact C-N 3.29Å; V240-E242 PolarHBondContact O-N 3.03Å; V240-V243 PolarHBondContact O-N 3.22Å; V240-V244 HydrophobicContact CG1-CG2 4.22Å; V240-V244 WeakPolarHBondContact O-CB 3.18Å; V240-V244 WeakPolarHBondContact O-CG2 3.36Å; V240-V244 PolarHBondContact O-N 2.86Å; V240-F261 HydrophobicContact CG2-CD2 4.19Å; V240-F261 HydrophobicContact CG2-CE2 4.1Å; V240-W288 HydrophobicContact CG1-CH2 4.33Å
241A98.6Very high97.9Very high29 Ų2931 Ų3124%0.2418%0.177CC..Hα-helixtrans-57.3-4317700000112.1F74 D237 T238 S245F74-A241 HydrophobicContact CB-CB 3.89Å; F74-A241 HydrophobicContact CD1-CB 4.09Å; F74-A241 HydrophobicContact CD2-CB 3.59Å; F74-A241 HydrophobicContact CE2-CB 4.14Å; F74-A241 HydrophobicContact CG-CB 3.56Å; D237-A241 PolarHBondContact O-N 2.9Å; T238-A241 WeakPolarHBondContact O-CB 3.13Å; T238-A241 PolarHBondContact O-N 2.87Å; A241-S245 PolarHBondContact O-N 2.87Å
242E98.5Very high98Very high92 Ų9229.6 Ų29.643%0.4318%0.183SC..Hα-helixtrans-67.3-41.8177.9-69.8178.5178.900113K185 T238 G239 V240 S245 L246K185-E242 WeakPolarHBondContact CE-OE2 3.29Å; K185-E242 IonicContact NZ-OE2 2.71Å; K185-E242 PolarHBondContact NZ-OE2 2.88Å; T238-E242 WeakPolarHBondContact O-CG 3.26Å; T238-E242 PolarHBondContact O-N 3.06Å; T238-E242 VanDerWaalsContact O-N 3.08Å; G239-E242 PolarHBondContact O-N 2.78Å; V240-E242 VanDerWaalsContact C-N 3.29Å; V240-E242 PolarHBondContact O-N 3.03Å; E242-S245 PolarHBondContact O-N 3.04Å; E242-L246 WeakPolarHBondContact O-CB 3.33Å; E242-L246 PolarHBondContact O-N 2.77Å
243V98.1Very high98Very high1 Ų135.2 Ų35.21%0.00621%0.209CC..Hα-helixtrans-65.3-42.1176.4167.70000111.2F181 V184 L210 G239 V240 L246 M247F181-V243 HydrophobicContact CD1-CG2 3.68Å; F181-V243 HydrophobicContact CE1-CG2 4.26Å; V184-V243 HydrophobicContact CG1-CG1 4.14Å; V184-V243 HydrophobicContact CG1-CG2 4.22Å; L210-V243 HydrophobicContact CD2-CG1 4.3Å; L210-V243 HydrophobicContact CD2-CG2 4.4Å; G239-V243 WeakPolarHBondContact O-CG2 3.37Å; G239-V243 PolarHBondContact O-N 2.92Å; V240-V243 PolarHBondContact O-N 3.22Å; V243-L246 PolarHBondContact O-N 3.07Å; V243-M247 HydrophobicContact CG1-CE 3.95Å; V243-M247 HydrophobicContact CG1-CG 4.33Å; V243-M247 HydrophobicContact CG1-SD 3.91Å; V243-M247 WeakPolarHBondContact O-CB 3.31Å; V243-M247 WeakPolarHBondContact O-CG 3.31Å; V243-M247 PolarHBondContact O-N 2.63Å
244V98.4Very high97.9Very high16 Ų1638.3 Ų38.310%0.09723%0.225CC..Hα-helixtrans-58.5-51175.6171.60000109.8F74 V240 L246 M247 E248 Y259 W288F74-V244 HydrophobicContact CE1-CG2 4.22Å; F74-V244 HydrophobicContact CZ-CB 4.13Å; F74-V244 HydrophobicContact CZ-CG1 4.15Å; F74-V244 HydrophobicContact CZ-CG2 3.93Å; V240-V244 HydrophobicContact CG1-CG2 4.22Å; V240-V244 WeakPolarHBondContact O-CB 3.18Å; V240-V244 WeakPolarHBondContact O-CG2 3.36Å; V240-V244 PolarHBondContact O-N 2.86Å; V244-L246 PolarHBondContact O-N 2.77Å; V244-M247 PolarHBondContact O-N 3.47Å; V244-E248 HydrophobicContact CG1-CG 4.32Å; V244-E248 WeakPolarHBondContact O-CB 3.41Å; V244-E248 WeakPolarHBondContact O-CG 3.38Å; V244-E248 PolarHBondContact O-N 2.87Å; V244-Y259 HydrophobicContact CB-CE1 4.32Å; V244-Y259 HydrophobicContact CG1-CE1 4.39Å; V244-Y259 HydrophobicContact CG1-CE2 4.42Å; V244-Y259 HydrophobicContact CG2-CD1 3.96Å; V244-Y259 HydrophobicContact CG2-CE1 3.68Å; V244-W288 HydrophobicContact CG2-CZ2 3.81Å
245S98.3Very high97.9Very high63 Ų6339.2 Ų39.244%0.44124%0.237SC..Hα-helixtrans-57.6-46.7177.2-169.80000112A241 E242 M247 E248 D249A241-S245 PolarHBondContact O-N 2.87Å; E242-S245 PolarHBondContact O-N 3.04Å; S245-M247 PolarHBondContact O-N 3.47Å; S245-E248 PolarHBondContact O-N 2.87Å; S245-D249 WeakPolarHBondContact O-CB 3.11Å; S245-D249 PolarHBondContact O-N 3.48Å
246L98.1Very high97.9Very high30 Ų3040.5 Ų40.516%0.15724%0.239CC..Hα-helixtrans-59.3-45179.6172.768.6000112.6K185 F188 E242 V243 V244 F250K185-L246 HydrophobicContact CB-CD2 4.36Å; K185-L246 HydrophobicContact CG-CD2 3.95Å; F188-L246 HydrophobicContact CB-CD1 4.34Å; F188-L246 HydrophobicContact CB-CD2 4Å; F188-L246 HydrophobicContact CB-CG 4.21Å; F188-L246 HydrophobicContact CD2-CD2 4.26Å; F188-L246 HydrophobicContact CG-CD2 4.36Å; E242-L246 WeakPolarHBondContact O-CB 3.33Å; E242-L246 PolarHBondContact O-N 2.77Å; V243-L246 PolarHBondContact O-N 3.07Å; V244-L246 PolarHBondContact O-N 2.77Å; L246-F250 WeakPolarHBondContact O-CB 3.21Å; L246-F250 PolarHBondContact O-N 3.32Å
247M97.4Very high97.9Very high0 Ų040.5 Ų40.50%024%0.239CC..Hα-helixtrans-69.3-46.9-179.1-75.2-179.6167.400110.9V49 V184 F188 F208 V243 V244 S245 D249 F250 F251 Y259V49-M247 HydrophobicContact CB-SD 4.41Å; V49-M247 HydrophobicContact CG1-CE 4.14Å; V49-M247 HydrophobicContact CG1-SD 4.1Å; V49-M247 HydrophobicContact CG2-CE 4.05Å; V49-M247 HydrophobicContact CG2-SD 3.43Å; V49-M247 WeakPolarHBondContact CG2-SD 3.4Å; V184-M247 HydrophobicContact CG1-CE 4.26Å; F188-M247 HydrophobicContact CE1-CG 4.33Å; F188-M247 HydrophobicContact CE2-CE 3.44Å; F188-M247 VanDerWaalsContact CE2-CE 3.44Å; F188-M247 HydrophobicContact CE2-CG 3.89Å; F188-M247 HydrophobicContact CE2-SD 4.48Å; F188-M247 HydrophobicContact CZ-CE 3.71Å; F188-M247 HydrophobicContact CZ-CG 3.77Å; F188-M247 HydrophobicContact CZ-SD 4.42Å; F208-M247 HydrophobicContact CB-CE 3.9Å; F208-M247 HydrophobicContact CD1-CE 4.26Å; F208-M247 HydrophobicContact CD2-CE 4.21Å; F208-M247 HydrophobicContact CG-CE 3.85Å; V243-M247 HydrophobicContact CG1-CE 3.95Å; V243-M247 HydrophobicContact CG1-CG 4.33Å; V243-M247 HydrophobicContact CG1-SD 3.91Å; V243-M247 WeakPolarHBondContact O-CB 3.31Å; V243-M247 WeakPolarHBondContact O-CG 3.31Å; V243-M247 PolarHBondContact O-N 2.63Å; V244-M247 PolarHBondContact O-N 3.47Å; S245-M247 PolarHBondContact O-N 3.47Å; M247-D249 VanDerWaalsContact C-N 3.31Å; M247-D249 PolarHBondContact O-N 3.09Å; M247-F250 PolarHBondContact O-N 3.27Å; M247-F250 VanDerWaalsContact O-N 3.13Å; M247-F251 HydrophobicContact CB-CD2 4.49Å; M247-F251 WeakPolarHBondContact O-CD2 3.43Å; M247-F251 PolarHBondContact O-N 3.28Å; M247-Y259 HydrophobicContact SD-CE1 4.28Å
248E97.9Very high97.9Very high34 Ų3440.3 Ų40.316%0.15924%0.238CC..Hα-helixtrans-59.2-42.5177.2-73.1-60.113200111.4V244 S245 F251 G252 H253 T257 Y259V244-E248 HydrophobicContact CG1-CG 4.32Å; V244-E248 WeakPolarHBondContact O-CB 3.41Å; V244-E248 WeakPolarHBondContact O-CG 3.38Å; V244-E248 PolarHBondContact O-N 2.87Å; S245-E248 PolarHBondContact O-N 2.87Å; E248-F251 PolarHBondContact O-N 2.88Å; E248-G252 PolarHBondContact O-N 2.93Å; E248-H253 PolarHBondContact O-N 3.44Å; E248-H253 IonicContact OE2-ND1 2.66Å; E248-T257 WeakPolarHBondContact OE1-CB 3.39Å; E248-T257 PolarHBondContact OE1-OG1 2.83Å; E248-Y259 PolarHBondContact OE1-OH 2.96Å; E248-Y259 VanDerWaalsContact OE1-OH 3.12Å
249D97.9Very high97.9Very high92 Ų9236.9 Ų36.949%0.49222%0.216SC..Hα-helixtrans-63.4-41.8173.9-70.6-17.2000112.3S245 M247 G252 H253S245-D249 WeakPolarHBondContact O-CB 3.11Å; S245-D249 PolarHBondContact O-N 3.48Å; M247-D249 VanDerWaalsContact C-N 3.31Å; M247-D249 PolarHBondContact O-N 3.09Å; D249-G252 PolarHBondContact O-N 3.46Å; D249-H253 IonicContact OD1-CE1 2.74Å; D249-H253 PolarHBondContact OD1-CE1 3.49Å; D249-H253 IonicContact OD1-NE2 2.63Å; D249-H253 PolarHBondContact OD1-NE2 2.91Å
250F97.5Very high97.9Very high23 Ų2336.7 Ų36.710%0.10121%0.214CC..Hα-helixtrans-65.2-39.4-179.1-179.8-91.1000112.3F188 A191 K192 K198 L201 L246 M247 G252F188-F250 HydrophobicContact CD1-CB 4.02Å; F188-F250 AromaticContact CD1-CD1 3.73Å; F188-F250 HydrophobicContact CD1-CD1 3.73Å; F188-F250 AromaticContact CD1-CD2 3.82Å; F188-F250 HydrophobicContact CD1-CD2 3.82Å; F188-F250 HydrophobicContact CD1-CE1 4.11Å; F188-F250 HydrophobicContact CD1-CE2 4.18Å; F188-F250 AromaticContact CD1-CG 3.58Å; F188-F250 HydrophobicContact CD1-CG 3.58Å; F188-F250 HydrophobicContact CD1-CZ 4.31Å; F188-F250 HydrophobicContact CE1-CB 4.44Å; F188-F250 AromaticContact CE1-CD1 3.75Å; F188-F250 HydrophobicContact CE1-CD1 3.75Å; F188-F250 HydrophobicContact CE1-CE1 4.11Å; F188-F250 HydrophobicContact CE1-CG 4.04Å; A191-F250 HydrophobicContact CB-CE2 3.78Å; A191-F250 HydrophobicContact CB-CZ 3.75Å; K192-F250 HydrophobicContact CG-CD2 4.05Å; K192-F250 HydrophobicContact CG-CE2 3.98Å; K198-F250 HydrophobicContact CG-CZ 4.11Å; L201-F250 HydrophobicContact CB-CE1 4.19Å; L201-F250 HydrophobicContact CD1-CE1 3.96Å; L201-F250 HydrophobicContact CD1-CZ 3.85Å; L246-F250 WeakPolarHBondContact O-CB 3.21Å; L246-F250 PolarHBondContact O-N 3.32Å; M247-F250 PolarHBondContact O-N 3.27Å; M247-F250 VanDerWaalsContact O-N 3.13Å; F250-G252 VanDerWaalsContact C-N 3.34Å
251F97.1Very high97.9Very high15 Ų1536.7 Ų36.77%0.06621%0.214CC..Hα-helixtrans-88-1.3177.9-65.3-65.3000113.4R47 F188 L201 L202 F208 M247 E248R47-F251 VanDerWaalsContact CD-CZ 3.47Å; R47-F251 VanDerWaalsContact CZ-CD1 3.45Å; F188-F251 AromaticContact CE1-CE2 3.91Å; F188-F251 HydrophobicContact CE1-CE2 3.91Å; F188-F251 HydrophobicContact CE1-CZ 4.05Å; F188-F251 HydrophobicContact CZ-CE2 4.31Å; L201-F251 HydrophobicContact CB-CE1 4.38Å; L201-F251 HydrophobicContact CB-CZ 4.42Å; L201-F251 WeakPolarHBondContact O-CE1 3.33Å; L202-F251 HydrophobicContact CD2-CD1 4Å; L202-F251 HydrophobicContact CD2-CE1 4.25Å; F208-F251 HydrophobicContact CE2-CZ 4.42Å; F208-F251 HydrophobicContact CZ-CZ 4.3Å; M247-F251 HydrophobicContact CB-CD2 4.49Å; M247-F251 WeakPolarHBondContact O-CD2 3.43Å; M247-F251 PolarHBondContact O-N 3.28Å; E248-F251 PolarHBondContact O-N 2.88Å
252G96.8Very high97.9Very high55 Ų5535.3 Ų35.357%0.56720%0.203SC*.THydrogen-bonded Turntrans7034.3176.300000113.8E248 D249 F250 D254E248-G252 PolarHBondContact O-N 2.93Å; D249-G252 PolarHBondContact O-N 3.46Å; F250-G252 VanDerWaalsContact C-N 3.34Å; G252-D254 PolarHBondContact O-N 3.43Å
253H96.9Very high97.9Very high121 Ų12131 Ų3156%0.5618%0.182SC*.SBendtrans51.740.7-179.8-53.2-74.9000113.3E248 D249 G255E248-H253 PolarHBondContact O-N 3.44Å; E248-H253 IonicContact OE2-ND1 2.66Å; D249-H253 IonicContact OD1-CE1 2.74Å; D249-H253 PolarHBondContact OD1-CE1 3.49Å; D249-H253 IonicContact OD1-NE2 2.63Å; D249-H253 PolarHBondContact OD1-NE2 2.91Å; H253-G255 PolarHBondContact O-N 3.11Å; H253-G255 VanDerWaalsContact O-N 3.09Å
254D97.1Very high97.8Very high66 Ų6630.9 Ų30.935%0.35318%0.182SC..  trans-67.4-7.7-17768.91000113.9R47 G252 R256R47-D254 IonicContact CZ-OD1 3.09Å; R47-D254 IonicContact CZ-OD2 3.5Å; R47-D254 VanDerWaalsContact CZ-OD2 3.27Å; R47-D254 VanDerWaalsContact NH1-CG 3.27Å; R47-D254 IonicContact NH1-OD1 3.24Å; R47-D254 PolarHBondContact NH1-OD1 3.3Å; R47-D254 IonicContact NH1-OD2 3.68Å; R47-D254 PolarHBondContact NH1-OD2 3.35Å; R47-D254 IonicContact NH2-OD2 2.67Å; R47-D254 PolarHBondContact NH2-OD2 3.45Å; G252-D254 PolarHBondContact O-N 3.43Å; D254-R256 HydrophobicContact CB-CG 4.34Å; D254-R256 PolarHBondContact O-N 3.48Å; D254-R256 WeakPolarHBondContact OD1-CB 3.23Å; D254-R256 PolarHBondContact OD1-N 3Å
255G96.1Very high97.6Very high48 Ų4830.1 Ų30.150%0.49518%0.177SC..SBendtrans66.224.2-179.200000113.1H253 A290H253-G255 PolarHBondContact O-N 3.11Å; H253-G255 VanDerWaalsContact O-N 3.09Å; G255-A290 VanDerWaalsContact O-CB 3.22Å; G255-A290 WeakPolarHBondContact O-CB 3.23Å
256R97.8Very high97.4Very high80 Ų8027.1 Ų27.130%0.30216%0.156SC..  trans-110.18.8-177.4-62.4-66.5-61.6171.30.2114P43 P44 A45 S46 R47 D254P43-R256 PolarHBondContact O-NH1 3.26Å; P43-R256 VanDerWaalsContact O-NH1 3.1Å; P43-R256 PolarHBondContact O-NH2 2.9Å; P44-R256 PolarHBondContact O-NH1 3.23Å; A45-R256 VanDerWaalsContact C-NH2 3.28Å; A45-R256 PolarHBondContact O-NH2 3.43Å; S46-R256 PolarHBondContact N-O 2.93Å; S46-R256 PolarHBondContact OG-NE 3.46Å; S46-R256 PolarHBondContact OG-NH2 3.05Å; S46-R256 VanDerWaalsContact OG-NH2 3.09Å; R47-R256 PolarHBondContact N-O 2.88Å; D254-R256 HydrophobicContact CB-CG 4.34Å; D254-R256 PolarHBondContact O-N 3.48Å; D254-R256 WeakPolarHBondContact OD1-CB 3.23Å; D254-R256 PolarHBondContact OD1-N 3Å
257T98.6Very high97.1Very high2 Ų225.7 Ų25.71%0.01215%0.149CC..EExtended strand (participates in β ladder)trans-100.4129.6176.3-48.40000110.8R47 V49 E248 Y259 A290R47-T257 HydrophobicContact CG-CG2 3.98Å; R47-T257 PolarHBondContact NH1-OG1 3.27Å; R47-T257 WeakPolarHBondContact O-CA 3.49Å; V49-T257 HydrophobicContact CG2-CG2 3.85Å; E248-T257 WeakPolarHBondContact OE1-CB 3.39Å; E248-T257 PolarHBondContact OE1-OG1 2.83Å; T257-Y259 HydrophobicContact CG2-CD2 4.09Å; T257-Y259 HydrophobicContact CG2-CE1 4Å; T257-Y259 HydrophobicContact CG2-CE2 3.45Å; T257-Y259 VanDerWaalsContact CG2-CE2 3.45Å; T257-A290 WeakPolarHBondContact O-CB 3.44Å; T257-A290 PolarHBondContact O-N 3.45Å
258A98.6Very high96.6Very high0 Ų027 Ų270%016%0.157CC..EExtended strand (participates in β ladder)trans-106.9143.6167.800000110.2A45 R47 L48 V49 L334A45-A258 HydrophobicContact CB-CB 3.92Å; R47-A258 PolarHBondContact O-N 2.95Å; L48-A258 CarbonylContact C-O 3.29Å; L48-A258 VanDerWaalsContact CA-O 3.31Å; L48-A258 WeakPolarHBondContact CA-O 3.28Å; V49-A258 PolarHBondContact N-O 3.32Å; A258-L334 HydrophobicContact CB-CD1 4.19Å
259Y98.8Very high95.9Very high3 Ų330.5 Ų30.51%0.01218%0.176CC..EExtended strand (participates in β ladder)trans-123134.5-178.3-63.8-91.9000110.2V49 V244 M247 E248 T257 V287 W288V49-Y259 HydrophobicContact CB-CD1 3.61Å; V49-Y259 HydrophobicContact CB-CE1 3.93Å; V49-Y259 HydrophobicContact CB-CG 4.46Å; V49-Y259 HydrophobicContact CG1-CD1 4.13Å; V49-Y259 HydrophobicContact CG1-CE1 4.34Å; V49-Y259 HydrophobicContact CG2-CD1 3.86Å; V49-Y259 HydrophobicContact CG2-CE1 3.67Å; V49-Y259 WeakPolarHBondContact O-CA 3.46Å; V244-Y259 HydrophobicContact CB-CE1 4.32Å; V244-Y259 HydrophobicContact CG1-CE1 4.39Å; V244-Y259 HydrophobicContact CG1-CE2 4.42Å; V244-Y259 HydrophobicContact CG2-CD1 3.96Å; V244-Y259 HydrophobicContact CG2-CE1 3.68Å; M247-Y259 HydrophobicContact SD-CE1 4.28Å; E248-Y259 PolarHBondContact OE1-OH 2.96Å; E248-Y259 VanDerWaalsContact OE1-OH 3.12Å; T257-Y259 HydrophobicContact CG2-CD2 4.09Å; T257-Y259 HydrophobicContact CG2-CE1 4Å; T257-Y259 HydrophobicContact CG2-CE2 3.45Å; T257-Y259 VanDerWaalsContact CG2-CE2 3.45Å; Y259-V287 VanDerWaalsContact O-CA 3.3Å; Y259-V287 WeakPolarHBondContact O-CA 3.45Å; Y259-V287 VanDerWaalsContact O-CG1 3.3Å; Y259-V287 WeakPolarHBondContact O-CG1 3.43Å; Y259-W288 AromaticContact CD1-CZ2 3.91Å; Y259-W288 HydrophobicContact CD1-CZ2 3.91Å; Y259-W288 AromaticContact CD2-CD1 3.76Å; Y259-W288 HydrophobicContact CD2-CD2 4.5Å; Y259-W288 AromaticContact CD2-CE2 3.84Å; Y259-W288 HydrophobicContact CD2-CG 4.47Å; Y259-W288 HydrophobicContact CD2-CZ2 4.35Å; Y259-W288 AromaticContact CD2-NE1 3.31Å; Y259-W288 VanDerWaalsContact CD2-NE1 3.31Å; Y259-W288 AromaticContact CE2-NE1 3.99Å; Y259-W288 HydrophobicContact CG-CD2 4.26Å; Y259-W288 AromaticContact CG-CE2 3.53Å; Y259-W288 HydrophobicContact CG-CH2 4.42Å; Y259-W288 AromaticContact CG-CZ2 3.63Å; Y259-W288 HydrophobicContact CG-CZ2 3.63Å; Y259-W288 AromaticContact CG-NE1 3.51Å; Y259-W288 PolarHBondContact N-O 3.01Å; Y259-W288 PolarHBondContact O-N 3.48Å; Y259-W288 VanDerWaalsContact O-N 3.07Å
260V98.8Very high94.7Very high0 Ų028.1 Ų28.10%016%0.16CC..EExtended strand (participates in β ladder)trans-126111.7176.4-178.50000107.7L48 V49 L50 I51 L285 V287 I327 M331L48-V260 HydrophobicContact CD1-CG2 4.17Å; L48-V260 HydrophobicContact CD2-CG2 4.41Å; L48-V260 HydrophobicContact CG-CG2 4.45Å; V49-V260 PolarHBondContact O-N 2.84Å; L50-V260 HydrophobicContact CD1-CB 3.98Å; L50-V260 HydrophobicContact CD1-CG1 3.81Å; I51-V260 PolarHBondContact N-O 3.12Å; V260-L285 HydrophobicContact CG1-CD1 4.09Å; V260-V287 HydrophobicContact CG1-CG2 4.35Å; V260-V287 HydrophobicContact CG2-CG1 4.17Å; V260-I327 HydrophobicContact CG1-CG2 4.13Å; V260-M331 HydrophobicContact CG2-CG 4.23Å
261F98.9Very high93.8Very high1 Ų127.4 Ų27.40%0.00416%0.16CC..EExtended strand (participates in β ladder)trans-107.7125.3173.1-179.2-83000109.8I51 A53 L56 L61 L75 V236 V240 V286 W288I51-F261 HydrophobicContact CB-CD2 3.93Å; I51-F261 HydrophobicContact CG2-CD2 3.58Å; I51-F261 HydrophobicContact CG2-CE2 3.85Å; I51-F261 WeakPolarHBondContact O-CA 3.13Å; A53-F261 HydrophobicContact CB-CE2 4.24Å; A53-F261 HydrophobicContact CB-CZ 3.82Å; L56-F261 HydrophobicContact CD2-CE1 3.78Å; L56-F261 HydrophobicContact CD2-CZ 3.77Å; L61-F261 HydrophobicContact CD1-CD1 4.28Å; L61-F261 HydrophobicContact CD1-CE1 3.46Å; L61-F261 VanDerWaalsContact CD1-CE1 3.46Å; L61-F261 HydrophobicContact CD1-CZ 4.15Å; L75-F261 HydrophobicContact CD1-CD1 3.96Å; L75-F261 HydrophobicContact CD1-CD2 4.18Å; L75-F261 HydrophobicContact CD1-CE1 3.73Å; L75-F261 HydrophobicContact CD1-CE2 3.94Å; L75-F261 HydrophobicContact CD1-CG 4.19Å; L75-F261 HydrophobicContact CD1-CZ 3.71Å; L75-F261 HydrophobicContact CD2-CB 4.28Å; L75-F261 HydrophobicContact CD2-CD1 4.35Å; L75-F261 HydrophobicContact CD2-CD2 4.3Å; L75-F261 HydrophobicContact CD2-CG 4.04Å; V236-F261 HydrophobicContact CG1-CE2 3.93Å; V236-F261 HydrophobicContact CG1-CZ 4.24Å; V240-F261 HydrophobicContact CG2-CD2 4.19Å; V240-F261 HydrophobicContact CG2-CE2 4.1Å; F261-V286 HydrophobicContact CB-CB 4.44Å; F261-V286 PolarHBondContact N-O 2.87Å; F261-V286 PolarHBondContact O-N 3.47Å; F261-W288 HydrophobicContact CB-CH2 4.01Å; F261-W288 HydrophobicContact CB-CZ3 3.71Å
262T98.7Very high92.8Very high0 Ų027.7 Ų27.70%016%0.164CC..EExtended strand (participates in β ladder)trans-156-169.6178.8-164.10000112.6I51 V52 A53 L103 P284I51-T262 PolarHBondContact O-N 3.46Å; V52-T262 WeakPolarHBondContact CA-O 3.27Å; V52-T262 HydrophobicContact CG2-CG2 4.16Å; A53-T262 PolarHBondContact N-O 3.29Å; L103-T262 HydrophobicContact CD1-CG2 4.06Å; L103-T262 HydrophobicContact CD2-CG2 3.77Å; T262-P284 WeakPolarHBondContact CA-O 3.49Å; T262-P284 WeakPolarHBondContact CB-O 3.45Å; T262-P284 PolarHBondContact OG1-O 3.4Å
263S98.3Very high92.1Very high0 Ų025.7 Ų25.70%014%0.139CC..  trans-138.3149.6172.2-171.10000109.8A53 L56 H265 T283 Q324A53-S263 WeakPolarHBondContact O-CB 3.36Å; A53-S263 PolarHBondContact O-OG 2.84Å; L56-S263 PolarHBondContact N-OG 2.96Å; L56-S263 VanDerWaalsContact N-OG 3.12Å; L56-S263 WeakPolarHBondContact O-CB 3.36Å; L56-S263 PolarHBondContact O-OG 3.28Å; S263-H265 PolarHBondContact OG-O 3.29Å; S263-T283 WeakPolarHBondContact O-CB 3.38Å; S263-T283 WeakPolarHBondContact O-CG2 3.25Å; S263-T283 PolarHBondContact O-OG1 2.92Å; S263-Q324 PolarHBondContact O-NE2 2.88Å
264D95.5Very high90.9Very high0 Ų020.5 Ų20.50%012%0.119CC..SBendtrans-76-39.517758.1-21.5000112.4V52 D54 G55 T90 S96 H100 L103 Q324V52-D264 HydrophobicContact CG1-CB 4.24Å; D54-D264 WeakPolarHBondContact CA-OD1 3.27Å; G55-D264 PolarHBondContact N-OD1 3.13Å; T90-D264 WeakPolarHBondContact CB-O 3.32Å; T90-D264 PolarHBondContact OG1-O 2.89Å; T90-D264 VanDerWaalsContact OG1-O 3.09Å; S96-D264 WeakPolarHBondContact CA-OD2 3.5Å; S96-D264 VanDerWaalsContact CB-OD2 3.23Å; S96-D264 WeakPolarHBondContact CB-OD2 3.37Å; H100-D264 IonicContact CE1-OD2 3.83Å; H100-D264 PolarHBondContact CE1-OD2 3.45Å; H100-D264 IonicContact ND1-OD2 3.27Å; H100-D264 PolarHBondContact ND1-OD2 3.48Å; L103-D264 HydrophobicContact CD1-CB 4.2Å; D264-Q324 PolarHBondContact O-NE2 3.42Å
265H95.4Very high89.6Confident0 Ų018.7 Ų18.70%011%0.113CC..  trans-152.6166168.759.477.2000112.7D54 G55 L56 T90 T94 S96 D216 S263 H273 T283D54-H265 IonicContact OD1-CE1 3.85Å; D54-H265 PolarHBondContact OD1-CE1 2.96Å; D54-H265 IonicContact OD1-NE2 2.63Å; D54-H265 PolarHBondContact OD1-NE2 2.91Å; G55-H265 CarbonylContact C-O 3.53Å; G55-H265 VanDerWaalsContact C-O 3.29Å; G55-H265 WeakPolarHBondContact CA-O 3.42Å; G55-H265 PolarHBondContact N-O 2.94Å; L56-H265 PolarHBondContact N-O 3.4Å; T90-H265 HydrophobicContact CG2-CB 4.4Å; T94-H265 HydrophobicContact CG2-CB 4.05Å; T94-H265 PolarHBondContact O-CD2 3.09Å; S96-H265 PolarHBondContact OG-NE2 3.04Å; D216-H265 IonicContact OD1-CE1 3.48Å; D216-H265 PolarHBondContact OD1-CE1 3.13Å; S263-H265 PolarHBondContact OG-O 3.29Å; H265-H273 AromaticContact CE1-CD2 3.42Å; H265-H273 PolarHBondContact CE1-CD2 2.93Å; H265-H273 VanDerWaalsContact CE1-CD2 3.42Å; H265-H273 AromaticContact CE1-CE1 3.48Å; H265-H273 PolarHBondContact CE1-CE1 3.06Å; H265-H273 VanDerWaalsContact CE1-CE1 3.48Å; H265-H273 AromaticContact CE1-CG 3.43Å; H265-H273 VanDerWaalsContact CE1-CG 3.43Å; H265-H273 AromaticContact CE1-ND1 3.47Å; H265-H273 PolarHBondContact CE1-ND1 3.21Å; H265-H273 AromaticContact CE1-NE2 3.51Å; H265-H273 AromaticContact ND1-CD2 3.97Å; H265-H273 AromaticContact ND1-CG 3.65Å; H265-H273 AromaticContact ND1-ND1 3.9Å; H265-H273 AromaticContact NE2-CE1 3.44Å; H265-H273 PolarHBondContact NE2-CE1 2.83Å; H265-H273 AromaticContact NE2-ND1 3.56Å; H265-H273 AromaticContact NE2-NE2 3.88Å; H265-T283 VanDerWaalsContact C-CG2 3.46Å; H265-T283 VanDerWaalsContact CA-CG2 3.48Å
266G94.4Very high88.6Confident0 Ų017.6 Ų17.60%010%0.101CC..  trans-92.4-150.3167.600000112.2S279 E280G266-S279 CarbonylContact C-O 3.54Å; G266-S279 VanDerWaalsContact CA-O 3.23Å; G266-S279 WeakPolarHBondContact CA-O 3.41Å; G266-E280 PolarHBondContact N-O 2.75Å
267M89.9Confident87.9Confident0 Ų018.6 Ų18.60%011%0.109CC..  trans-153.5141.9-175.5-172.971.27400110.4R57 D216 P224 S272 H273 S279R57-M267 WeakPolarHBondContact CD-O 3.46Å; R57-M267 HydrophobicContact CG-CB 4.36Å; D216-M267 WeakPolarHBondContact OD1-CE 3.36Å; P224-M267 HydrophobicContact CG-CB 3.73Å; P224-M267 HydrophobicContact CG-CG 3.38Å; M267-S272 WeakPolarHBondContact SD-CA 3.07Å; M267-S272 PolarHBondContact SD-N 2.9Å; M267-S272 VanDerWaalsContact SD-O 3.36Å; M267-H273 HydrophobicContact SD-CB 4.1Å; M267-S279 PolarHBondContact N-O 2.81Å; M267-S279 WeakPolarHBondContact O-CB 3.48Å; M267-S279 PolarHBondContact O-OG 2.88Å
268T86.9Confident87.4Confident28 Ų2821.2 Ų21.217%0.17213%0.127CC..  trans-71157.1169.665.20000111.6P224 W270 G271 S272 H277 S279 E280P224-T268 VanDerWaalsContact CD-O 3.26Å; P224-T268 WeakPolarHBondContact CD-O 3.26Å; P224-T268 WeakPolarHBondContact CG-O 3.35Å; T268-W270 PolarHBondContact O-N 3.08Å; T268-G271 PolarHBondContact O-N 3.47Å; T268-S272 WeakPolarHBondContact CB-O 3.33Å; T268-S272 WeakPolarHBondContact CG2-O 3.36Å; T268-S272 PolarHBondContact N-O 2.95Å; T268-S272 PolarHBondContact OG1-N 3.04Å; T268-S272 PolarHBondContact OG1-O 3.38Å; T268-H277 HydrophobicContact CG2-CB 4.07Å; T268-S279 WeakPolarHBondContact CA-OG 3.49Å; T268-E280 VanDerWaalsContact CG2-CD 3.45Å; T268-E280 HydrophobicContact CG2-CG 3.58Å; T268-E280 WeakPolarHBondContact CG2-OE1 3.5Å
269N84.9Confident87Confident106 Ų10621.7 Ų21.757%0.56713%0.13SC*.THydrogen-bonded Turntrans-56-14174.4-69.7-19000114.2R57R57-N269 PolarHBondContact NH1-OD1 3.27Å; R57-N269 PolarHBondContact NH2-OD1 3.11Å
270W71Confident86.6Confident42 Ų4221.9 Ų21.916%0.15913%0.131CC..THydrogen-bonded Turntrans-84.7-8.6176.7-171.3-109.9000113.8R223 T268 D813R223-W270 VanDerWaalsContact NH2-CZ3 3.31Å; T268-W270 PolarHBondContact O-N 3.08Å; W270-D813 HydrophobicContact CZ2-CB 4.08Å; W270-D813 VanDerWaalsContact CZ2-CG 3.46Å; W270-D813 WeakPolarHBondContact CZ2-OD1 3.41Å
271G79.3Confident86.2Confident8 Ų823.2 Ų23.28%0.08214%0.139CC..SBendtrans75.244.3-171.600000111.6G219 H220 T268G219-G271 WeakPolarHBondContact O-CA 3.19Å; H220-G271 PolarHBondContact ND1-O 2.86Å; H220-G271 VanDerWaalsContact ND1-O 3.12Å; T268-G271 PolarHBondContact O-N 3.47Å
272S77.1Confident86.1Confident22 Ų2224.2 Ų24.215%0.15414%0.144CC..  trans-141.4150.5172-178.60000110.5M267 T268 N810M267-S272 WeakPolarHBondContact SD-CA 3.07Å; M267-S272 PolarHBondContact SD-N 2.9Å; M267-S272 VanDerWaalsContact SD-O 3.36Å; T268-S272 WeakPolarHBondContact CB-O 3.33Å; T268-S272 WeakPolarHBondContact CG2-O 3.36Å; T268-S272 PolarHBondContact N-O 2.95Å; T268-S272 PolarHBondContact OG1-N 3.04Å; T268-S272 PolarHBondContact OG1-O 3.38Å; S272-N810 PolarHBondContact OG-O 3.18Å
273H81.2Confident86Confident12 Ų1224.2 Ų24.26%0.05614%0.144CC..  trans-136.2-175174.662.683.5000111.1T94 E95 D216 H220 H265 M267 E280 N810T94-H273 PolarHBondContact O-ND1 3.4Å; E95-H273 IonicContact OE2-CE1 2.9Å; E95-H273 PolarHBondContact OE2-CE1 3.46Å; E95-H273 IonicContact OE2-ND1 2.77Å; D216-H273 IonicContact OD1-CD2 3.32Å; D216-H273 IonicContact OD1-NE2 3.32Å; H220-H273 AromaticContact CE1-CD2 3.2Å; H220-H273 PolarHBondContact CE1-CD2 3.35Å; H220-H273 AromaticContact CE1-NE2 3.16Å; H220-H273 PolarHBondContact CE1-NE2 3.38Å; H220-H273 AromaticContact NE2-CD2 3.2Å; H220-H273 PolarHBondContact NE2-CD2 3.43Å; H220-H273 AromaticContact NE2-NE2 2.86Å; H220-H273 PolarHBondContact NE2-NE2 3.12Å; H265-H273 AromaticContact CE1-CD2 3.42Å; H265-H273 PolarHBondContact CE1-CD2 2.93Å; H265-H273 VanDerWaalsContact CE1-CD2 3.42Å; H265-H273 AromaticContact CE1-CE1 3.48Å; H265-H273 PolarHBondContact CE1-CE1 3.06Å; H265-H273 VanDerWaalsContact CE1-CE1 3.48Å; H265-H273 AromaticContact CE1-CG 3.43Å; H265-H273 VanDerWaalsContact CE1-CG 3.43Å; H265-H273 AromaticContact CE1-ND1 3.47Å; H265-H273 PolarHBondContact CE1-ND1 3.21Å; H265-H273 AromaticContact CE1-NE2 3.51Å; H265-H273 AromaticContact ND1-CD2 3.97Å; H265-H273 AromaticContact ND1-CG 3.65Å; H265-H273 AromaticContact ND1-ND1 3.9Å; H265-H273 AromaticContact NE2-CE1 3.44Å; H265-H273 PolarHBondContact NE2-CE1 2.83Å; H265-H273 AromaticContact NE2-ND1 3.56Å; H265-H273 AromaticContact NE2-NE2 3.88Å; M267-H273 HydrophobicContact SD-CB 4.1Å; H273-E280 VanDerWaalsContact C-OE2 3.24Å; H273-E280 WeakPolarHBondContact CA-OE2 3.49Å; H273-E280 HydrophobicContact CB-CG 4.44Å; H273-N810 WeakPolarHBondContact O-CB 3.28Å; H273-N810 PolarHBondContact O-ND2 2.99Å
274G71.2Confident86Confident12 Ų1224.2 Ų24.212%0.12414%0.144CC..SBendtrans102.7-2.3-176.300000114.4T94 E280T94-G274 PolarHBondContact O-N 2.95Å; T94-G274 VanDerWaalsContact O-N 3.12Å; T94-G274 WeakPolarHBondContact OG1-CA 3.47Å; T94-G274 PolarHBondContact OG1-N 3.08Å; G274-E280 PolarHBondContact N-OE2 3.5Å
275A69.9Low86.2Confident29 Ų2924.2 Ų24.224%0.2414%0.144CC..SBendtrans-121.1176.8178.900000112.6V92 T94 H277 E280 L888V92-A275 WeakPolarHBondContact CG1-O 3.2Å; T94-A275 PolarHBondContact OG1-N 3.26Å; T94-A275 PolarHBondContact OG1-O 3.02Å; A275-H277 PolarHBondContact O-N 2.88Å; A275-E280 VanDerWaalsContact C-CD 3.49Å; A275-E280 VanDerWaalsContact C-OE1 3.32Å; A275-E280 VanDerWaalsContact C-OE2 3.32Å; A275-E280 WeakPolarHBondContact CA-OE2 3.2Å; A275-E280 PolarHBondContact N-OE2 3.42Å; A275-L888 HydrophobicContact CB-CD1 4.19Å
276G75Confident86.3Confident24 Ų2424.2 Ų24.225%0.24714%0.144CC..  trans-91.621.1-165.500000115.9
277H83.2Confident86.5Confident101 Ų10124.2 Ų24.247%0.46814%0.144SC..  trans-68.3143.3178.9-168.5-96.1000110.5T268 A275 S279 E280 T281T268-H277 HydrophobicContact CG2-CB 4.07Å; A275-H277 PolarHBondContact O-N 2.88Å; H277-S279 WeakPolarHBondContact ND1-CB 2.98Å; H277-S279 PolarHBondContact ND1-N 3.38Å; H277-S279 VanDerWaalsContact ND1-N 3.18Å; H277-S279 PolarHBondContact ND1-OG 2.64Å; H277-S279 PolarHBondContact O-N 2.95Å; H277-S279 VanDerWaalsContact O-N 3.1Å; H277-E280 HydrophobicContact CB-CG 4.09Å; H277-E280 WeakPolarHBondContact CB-OE1 3.31Å; H277-E280 PolarHBondContact N-OE1 2.99Å; H277-E280 VanDerWaalsContact N-OE1 3.11Å; H277-E280 WeakPolarHBondContact O-CA 3.13Å; H277-E280 VanDerWaalsContact O-CB 3.31Å; H277-E280 WeakPolarHBondContact O-CB 3.38Å; H277-E280 PolarHBondContact O-N 3.1Å; H277-T281 PolarHBondContact O-N 2.95Å; H277-T281 PolarHBondContact O-OG1 3.24Å
278P88.8Confident86.9Confident58 Ų5824.9 Ų24.938%0.37715%0.147SC..Hα-helixtrans-53.7-34.2177.9-30.236.5000114.3E280 T281 L282P278-E280 PolarHBondContact O-N 3.21Å; P278-T281 WeakPolarHBondContact CA-OG1 3.27Å; P278-T281 PolarHBondContact O-N 3.32Å; P278-L282 HydrophobicContact CB-CD1 3.94Å; P278-L282 HydrophobicContact CB-CG 4.36Å; P278-L282 WeakPolarHBondContact O-CB 3.43Å; P278-L282 WeakPolarHBondContact O-CG 3.43Å; P278-L282 PolarHBondContact O-N 2.65Å
279S90Very high87.5Confident10 Ų1025.4 Ų25.47%0.0716%0.157CC..Hα-helixtrans-69.1-15.9175.473.30000113.8R57 G266 M267 T268 H277R57-S279 WeakPolarHBondContact CG-O 3.25Å; G266-S279 CarbonylContact C-O 3.54Å; G266-S279 VanDerWaalsContact CA-O 3.23Å; G266-S279 WeakPolarHBondContact CA-O 3.41Å; M267-S279 PolarHBondContact N-O 2.81Å; M267-S279 WeakPolarHBondContact O-CB 3.48Å; M267-S279 PolarHBondContact O-OG 2.88Å; T268-S279 WeakPolarHBondContact CA-OG 3.49Å; H277-S279 WeakPolarHBondContact ND1-CB 2.98Å; H277-S279 PolarHBondContact ND1-N 3.38Å; H277-S279 VanDerWaalsContact ND1-N 3.18Å; H277-S279 PolarHBondContact ND1-OG 2.64Å; H277-S279 PolarHBondContact O-N 2.95Å; H277-S279 VanDerWaalsContact O-N 3.1Å
280E89.8Confident88.1Confident6 Ų620.8 Ų20.83%0.02813%0.134CC..Hα-helixtrans-93-35.1171.6-56.7170.9-103.900111T90 T94 G266 T268 H273 G274 A275 H277 P278T90-E280 WeakPolarHBondContact CG2-O 3.28Å; T94-E280 HydrophobicContact CG2-CB 4.02Å; T94-E280 WeakPolarHBondContact CG2-O 3.49Å; T94-E280 PolarHBondContact OG1-OE2 3.05Å; G266-E280 PolarHBondContact N-O 2.75Å; T268-E280 VanDerWaalsContact CG2-CD 3.45Å; T268-E280 HydrophobicContact CG2-CG 3.58Å; T268-E280 WeakPolarHBondContact CG2-OE1 3.5Å; H273-E280 VanDerWaalsContact C-OE2 3.24Å; H273-E280 WeakPolarHBondContact CA-OE2 3.49Å; H273-E280 HydrophobicContact CB-CG 4.44Å; G274-E280 PolarHBondContact N-OE2 3.5Å; A275-E280 VanDerWaalsContact C-CD 3.49Å; A275-E280 VanDerWaalsContact C-OE1 3.32Å; A275-E280 VanDerWaalsContact C-OE2 3.32Å; A275-E280 WeakPolarHBondContact CA-OE2 3.2Å; A275-E280 PolarHBondContact N-OE2 3.42Å; H277-E280 HydrophobicContact CB-CG 4.09Å; H277-E280 WeakPolarHBondContact CB-OE1 3.31Å; H277-E280 PolarHBondContact N-OE1 2.99Å; H277-E280 VanDerWaalsContact N-OE1 3.11Å; H277-E280 WeakPolarHBondContact O-CA 3.13Å; H277-E280 VanDerWaalsContact O-CB 3.31Å; H277-E280 WeakPolarHBondContact O-CB 3.38Å; H277-E280 PolarHBondContact O-N 3.1Å; P278-E280 PolarHBondContact O-N 3.21Å
281T91.5Very high89.3Confident28 Ų2819.5 Ų19.517%0.17213%0.134CC..Hα-helixtrans-93.6-16.4-17162.20000115.3T90 V92 T94 H277 P278T90-T281 VanDerWaalsContact CG2-CA 3.44Å; T90-T281 WeakPolarHBondContact CG2-O 3.11Å; T90-T281 PolarHBondContact N-O 2.86Å; V92-T281 HydrophobicContact CG1-CG2 3.95Å; T94-T281 HydrophobicContact CG2-CG2 4.01Å; H277-T281 PolarHBondContact O-N 2.95Å; H277-T281 PolarHBondContact O-OG1 3.24Å; P278-T281 WeakPolarHBondContact CA-OG1 3.27Å; P278-T281 PolarHBondContact O-N 3.32Å
282L95.4Very high90.2Very high22 Ų2219.4 Ų19.412%0.11513%0.132CC..EExtended strand (participates in β ladder)trans-99102.1178.9-58.5177.1000109.9A58 V87 H89 P278 Y308A58-L282 HydrophobicContact CB-CB 4.24Å; A58-L282 VanDerWaalsContact CB-O 3.27Å; A58-L282 WeakPolarHBondContact CB-O 3.37Å; A58-L282 PolarHBondContact N-O 3.49Å; V87-L282 HydrophobicContact CG1-CB 3.83Å; V87-L282 HydrophobicContact CG1-CD2 3.63Å; V87-L282 HydrophobicContact CG1-CG 4.29Å; H89-L282 VanDerWaalsContact CE1-CD2 3.45Å; H89-L282 WeakPolarHBondContact CE1-CD2 3.43Å; H89-L282 WeakPolarHBondContact ND1-CD2 3.44Å; P278-L282 HydrophobicContact CB-CD1 3.94Å; P278-L282 HydrophobicContact CB-CG 4.36Å; P278-L282 WeakPolarHBondContact O-CB 3.43Å; P278-L282 WeakPolarHBondContact O-CG 3.43Å; P278-L282 PolarHBondContact O-N 2.65Å; L282-Y308 HydrophobicContact CD1-CD2 4.49Å; L282-Y308 HydrophobicContact CD1-CE2 3.63Å
283T97.4Very high91.1Very high0 Ų019.2 Ų19.20%013%0.129CC..EExtended strand (participates in β ladder)trans-104.8147.1176.962.40000111.6V87 S88 T90 S263 H265V87-T283 WeakPolarHBondContact CA-O 3.4Å; S88-T283 VanDerWaalsContact CB-OG1 3.32Å; S88-T283 WeakPolarHBondContact CB-OG1 3.29Å; S88-T283 PolarHBondContact N-O 3.08Å; S88-T283 PolarHBondContact O-N 3.49Å; S88-T283 PolarHBondContact O-OG1 3.05Å; S88-T283 VanDerWaalsContact O-OG1 3.05Å; S88-T283 PolarHBondContact OG-OG1 3.37Å; T90-T283 HydrophobicContact CG2-CG2 4.17Å; S263-T283 WeakPolarHBondContact O-CB 3.38Å; S263-T283 WeakPolarHBondContact O-CG2 3.25Å; S263-T283 PolarHBondContact O-OG1 2.92Å; H265-T283 VanDerWaalsContact C-CG2 3.46Å; H265-T283 VanDerWaalsContact CA-CG2 3.48Å
284P98Very high91.8Very high0 Ų027.3 Ų27.30%016%0.159CC..EExtended strand (participates in β ladder)trans-69.1146.417729.7-32.8000110.2L56 L61 F62 T262L56-P284 HydrophobicContact CD2-CG 3.85Å; L56-P284 HydrophobicContact CG-CG 3.97Å; L56-P284 VanDerWaalsContact O-CD 3.24Å; L56-P284 WeakPolarHBondContact O-CD 3.45Å; L61-P284 HydrophobicContact CB-CB 4.36Å; L61-P284 HydrophobicContact CB-CG 4.37Å; L61-P284 HydrophobicContact CD1-CB 4.08Å; L61-P284 HydrophobicContact CD1-CG 4.04Å; L61-P284 HydrophobicContact CD2-CB 4.2Å; L61-P284 HydrophobicContact CG-CB 4.46Å; F62-P284 HydrophobicContact CE1-CB 4.41Å; F62-P284 HydrophobicContact CE2-CB 3.87Å; F62-P284 HydrophobicContact CZ-CB 3.65Å; T262-P284 WeakPolarHBondContact CA-O 3.49Å; T262-P284 WeakPolarHBondContact CB-O 3.45Å; T262-P284 PolarHBondContact OG1-O 3.4Å
285L98.8Very high92.9Very high0 Ų027.9 Ų27.90%016%0.162CC..EExtended strand (participates in β ladder)trans-132.3120.4167177.561.5000109.4W85 G86 V260 V287 V322 I327 Y351W85-L285 CarbonylContact C-O 3.6Å; W85-L285 VanDerWaalsContact CA-O 3.23Å; W85-L285 WeakPolarHBondContact CA-O 3.4Å; G86-L285 PolarHBondContact N-O 3.03Å; G86-L285 PolarHBondContact O-N 3.44Å; V260-L285 HydrophobicContact CG1-CD1 4.09Å; L285-V287 HydrophobicContact CD1-CG2 3.68Å; L285-V287 HydrophobicContact CG-CG2 3.99Å; L285-V322 HydrophobicContact CD2-CG1 4.32Å; L285-V322 HydrophobicContact CD2-CG2 3.39Å; L285-I327 HydrophobicContact CD1-CD1 4.04Å; L285-I327 HydrophobicContact CD1-CG1 4.44Å; L285-I327 HydrophobicContact CD2-CD1 4.14Å; L285-I327 HydrophobicContact CD2-CG1 4.16Å; L285-Y351 HydrophobicContact CD2-CE1 4.09Å; L285-Y351 HydrophobicContact CD2-CE2 4.3Å; L285-Y351 VanDerWaalsContact CD2-OH 3.3Å; L285-Y351 WeakPolarHBondContact CD2-OH 3.42Å; L285-Y351 HydrophobicContact CG-CE1 4.21Å
286V98.8Very high94.1Very high0 Ų029.9 Ų29.90%017%0.167CC..EExtended strand (participates in β ladder)trans-130.5124.3175.7-173.20000108.2F62 V78 I79 W85 F261 W288F62-V286 HydrophobicContact CE1-CG2 4.4Å; V78-V286 HydrophobicContact CB-CG1 4.3Å; V78-V286 HydrophobicContact CG1-CG1 3.67Å; I79-V286 HydrophobicContact CD1-CG2 3.88Å; I79-V286 HydrophobicContact CG1-CG1 3.91Å; I79-V286 HydrophobicContact CG1-CG2 3.85Å; W85-V286 HydrophobicContact CB-CG2 4.49Å; F261-V286 HydrophobicContact CB-CB 4.44Å; F261-V286 PolarHBondContact N-O 2.87Å; F261-V286 PolarHBondContact O-N 3.47Å; V286-W288 HydrophobicContact CB-CZ3 4.47Å; V286-W288 HydrophobicContact CG1-CE3 4.04Å; V286-W288 HydrophobicContact CG1-CZ3 4.21Å
287V98.8Very high95Very high0 Ų038.6 Ų38.60%019%0.192CC..EExtended strand (participates in β ladder)trans-131.3135.5-175.9-1720000108.9G83 T84 Y259 V260 L285 V292 L330 Y351G83-V287 CarbonylContact C-O 3.6Å; G83-V287 WeakPolarHBondContact CA-O 3.39Å; T84-V287 PolarHBondContact N-O 3.13Å; T84-V287 PolarHBondContact O-N 3.16Å; Y259-V287 VanDerWaalsContact O-CA 3.3Å; Y259-V287 WeakPolarHBondContact O-CA 3.45Å; Y259-V287 VanDerWaalsContact O-CG1 3.3Å; Y259-V287 WeakPolarHBondContact O-CG1 3.43Å; V260-V287 HydrophobicContact CG1-CG2 4.35Å; V260-V287 HydrophobicContact CG2-CG1 4.17Å; L285-V287 HydrophobicContact CD1-CG2 3.68Å; L285-V287 HydrophobicContact CG-CG2 3.99Å; V287-V292 HydrophobicContact CB-CG1 4.17Å; V287-V292 HydrophobicContact CG1-CB 4.49Å; V287-V292 HydrophobicContact CG1-CG1 3.88Å; V287-V292 HydrophobicContact CG1-CG2 3.74Å; V287-V292 WeakPolarHBondContact O-CG1 3.46Å; V287-L330 HydrophobicContact CG1-CD2 4.49Å; V287-L330 HydrophobicContact CG2-CD2 4.2Å; V287-Y351 HydrophobicContact CB-CD1 3.7Å; V287-Y351 HydrophobicContact CB-CE1 3.9Å; V287-Y351 HydrophobicContact CG1-CD1 4.36Å; V287-Y351 HydrophobicContact CG2-CD1 3.67Å; V287-Y351 HydrophobicContact CG2-CE1 3.54Å
288W98.7Very high95.4Very high15 Ų1535.6 Ų35.66%0.05718%0.181CC..EExtended strand (participates in β ladder)trans-153.1173.6-179.269.999.6000112.4F74 L75 V78 V240 V244 Y259 F261 V286F74-W288 HydrophobicContact CE1-CZ2 4.11Å; F74-W288 HydrophobicContact CZ-CZ2 4.4Å; L75-W288 HydrophobicContact CD2-CH2 4.15Å; L75-W288 HydrophobicContact CD2-CZ3 4.23Å; V78-W288 HydrophobicContact CG1-CB 3.65Å; V78-W288 HydrophobicContact CG1-CD2 3.67Å; V78-W288 HydrophobicContact CG1-CE3 3.72Å; V78-W288 HydrophobicContact CG1-CG 3.67Å; V78-W288 HydrophobicContact CG2-CD2 4.4Å; V240-W288 HydrophobicContact CG1-CH2 4.33Å; V244-W288 HydrophobicContact CG2-CZ2 3.81Å; Y259-W288 AromaticContact CD1-CZ2 3.91Å; Y259-W288 HydrophobicContact CD1-CZ2 3.91Å; Y259-W288 AromaticContact CD2-CD1 3.76Å; Y259-W288 HydrophobicContact CD2-CD2 4.5Å; Y259-W288 AromaticContact CD2-CE2 3.84Å; Y259-W288 HydrophobicContact CD2-CG 4.47Å; Y259-W288 HydrophobicContact CD2-CZ2 4.35Å; Y259-W288 AromaticContact CD2-NE1 3.31Å; Y259-W288 VanDerWaalsContact CD2-NE1 3.31Å; Y259-W288 AromaticContact CE2-NE1 3.99Å; Y259-W288 HydrophobicContact CG-CD2 4.26Å; Y259-W288 AromaticContact CG-CE2 3.53Å; Y259-W288 HydrophobicContact CG-CH2 4.42Å; Y259-W288 AromaticContact CG-CZ2 3.63Å; Y259-W288 HydrophobicContact CG-CZ2 3.63Å; Y259-W288 AromaticContact CG-NE1 3.51Å; Y259-W288 PolarHBondContact N-O 3.01Å; Y259-W288 PolarHBondContact O-N 3.48Å; Y259-W288 VanDerWaalsContact O-N 3.07Å; F261-W288 HydrophobicContact CB-CH2 4.01Å; F261-W288 HydrophobicContact CB-CZ3 3.71Å; V286-W288 HydrophobicContact CB-CZ3 4.47Å; V286-W288 HydrophobicContact CG1-CE3 4.04Å; V286-W288 HydrophobicContact CG1-CZ3 4.21Å
289G98.1Very high95.4Very high38 Ų3841.3 Ų41.339%0.39221%0.207SC..EExtended strand (participates in β ladder)trans94.2-148.5178.900000113.5G291 V292G289-G291 PolarHBondContact O-N 3.44Å; G289-V292 PolarHBondContact O-N 2.98Å
290A98.1Very high95.2Very high9 Ų948.9 Ų48.97%0.07424%0.241CC..THydrogen-bonded Turntrans-60.6122.5-170.900000112.4P44 A45 G255 T257 V292P44-A290 WeakPolarHBondContact O-CB 3.32Å; A45-A290 HydrophobicContact CB-CB 3.91Å; G255-A290 VanDerWaalsContact O-CB 3.22Å; G255-A290 WeakPolarHBondContact O-CB 3.23Å; T257-A290 WeakPolarHBondContact O-CB 3.44Å; T257-A290 PolarHBondContact O-N 3.45Å; A290-V292 VanDerWaalsContact C-N 3.31Å; A290-V292 PolarHBondContact O-N 2.74Å
291G96.6Very high95Very high15 Ų1553.6 Ų53.616%0.15528%0.281CS..THydrogen-bonded Turntrans79.36.2177.600000116.1P44 G289 N353P44-G291 VanDerWaalsContact CB-CA 3.41Å; G289-G291 PolarHBondContact O-N 3.44Å; G291-N353 PolarHBondContact O-N 2.86Å
292V98Very high95Very high6 Ų653.7 Ų53.74%0.03628%0.28CS..BIsolated β-bridgetrans-103.9143.8-176.3-173.50000111V287 G289 A290 L334 Y351 N353V287-V292 HydrophobicContact CB-CG1 4.17Å; V287-V292 HydrophobicContact CG1-CB 4.49Å; V287-V292 HydrophobicContact CG1-CG1 3.88Å; V287-V292 HydrophobicContact CG1-CG2 3.74Å; V287-V292 WeakPolarHBondContact O-CG1 3.46Å; G289-V292 PolarHBondContact O-N 2.98Å; A290-V292 VanDerWaalsContact C-N 3.31Å; A290-V292 PolarHBondContact O-N 2.74Å; V292-L334 HydrophobicContact CG2-CD1 4.31Å; V292-L334 HydrophobicContact CG2-CD2 4Å; V292-Y351 CarbonylContact C-O 3.5Å; V292-Y351 VanDerWaalsContact CA-O 3.27Å; V292-Y351 WeakPolarHBondContact CA-O 3.42Å; V292-Y351 WeakPolarHBondContact CG1-O 3.22Å; V292-N353 WeakPolarHBondContact O-CB 3.49Å
293N96.9Very high94.8Very high18 Ų1858.5 Ų58.510%0.09631%0.312CS..PPolyproline II helixtrans-65.8141.7174.7-81.7-41.8000111.2G83 T84 L350 Y351 L352 N353G83-N293 CarbonylContact C-O 3.57Å; G83-N293 VanDerWaalsContact C-O 3.25Å; T84-N293 PolarHBondContact N-O 2.76Å; T84-N293 VanDerWaalsContact OG1-CB 3.29Å; T84-N293 WeakPolarHBondContact OG1-CB 3.35Å; T84-N293 PolarHBondContact OG1-O 2.86Å; N293-L350 PolarHBondContact ND2-O 3.19Å; N293-Y351 PolarHBondContact N-O 3.35Å; N293-L352 PolarHBondContact ND2-O 3.34Å; N293-N353 HydrophobicContact CB-CB 4.45Å; N293-N353 WeakPolarHBondContact OD1-CA 3.33Å; N293-N353 VanDerWaalsContact OD1-CB 3.25Å; N293-N353 WeakPolarHBondContact OD1-CB 3.5Å
294R95Very high94.4Very high182 Ų18261.4 Ų61.469%0.68732%0.323SS*.PPolyproline II helixtrans-76.2165.1170.9-63.8-172.7177.7-152.6-1.2110.6G83 Q296G83-R294 CarbonylContact O-C 3.57Å; R294-Q296 PolarHBondContact O-N 2.95Å; R294-Q296 VanDerWaalsContact O-N 3.16Å
295A94.5Very high93.9Very high24 Ų2471 Ų7120%0.19837%0.369CS..PPolyproline II helixtrans-54.8119.8178.100000111.2I79 E80 G83 I317I79-A295 WeakPolarHBondContact O-CB 3.37Å; E80-A295 WeakPolarHBondContact O-CB 3.19Å; G83-A295 VanDerWaalsContact O-CA 3.31Å; G83-A295 WeakPolarHBondContact O-CA 3.32Å; G83-A295 PolarHBondContact O-N 2.76Å; A295-I317 HydrophobicContact CB-CG2 4.38Å
296Q93.9Very high93.5Very high72 Ų7274.1 Ų74.134%0.33639%0.385SS..  trans-96.5111.1179.9-65-175.4-2.700109.3R294 R318R294-Q296 PolarHBondContact O-N 2.95Å; R294-Q296 VanDerWaalsContact O-N 3.16Å; Q296-R318 HydrophobicContact CB-CB 3.94Å; Q296-R318 PolarHBondContact O-N 2.86Å
297R94.1Very high93.1Very high206 Ų20676 Ų7678%0.77741%0.405SS*.BIsolated β-bridgetrans-72.4132.8173.5-69.5-173.5179.1-173.9-0.4110.5H316 I317R297-H316 VanDerWaalsContact CA-O 3.28Å; R297-H316 WeakPolarHBondContact CA-O 3.43Å; R297-I317 HydrophobicContact CG-CD1 4.01Å
298V93.3Very high92.9Very high39 Ų3979.2 Ų79.224%0.23642%0.418CS..  trans-127.4143.2179.5-65.60000110.3Q302 H316 R318V298-Q302 HydrophobicContact CG2-CG 3.97Å; V298-Q302 VanDerWaalsContact CG2-NE2 3.32Å; V298-H316 PolarHBondContact N-O 3.33Å; V298-R318 HydrophobicContact CG1-CB 3.89Å; V298-R318 HydrophobicContact CG1-CG 4.38Å
299I87.1Confident92.6Very high178 Ų17879.3 Ų79.391%0.91342%0.419SS*.  trans-109.7-23.6178.5-53.2172.9000110
300E87.3Confident92.2Very high168 Ų16884.6 Ų84.679%0.78543%0.431SS*.SBendtrans-80.9152.1179.9-63.5177.4-173.900111.3Q302E300-Q302 PolarHBondContact O-N 3.38Å
301A85.1Confident91.9Very high106 Ų10689.3 Ų89.388%0.87646%0.455SS*.PPolyproline II helixtrans-60.9127.3172.200000109.8
302Q92.3Very high91.8Very high29 Ų2988.8 Ų88.814%0.13645%0.448CS..PPolyproline II helixtrans-82.1155.6178.9-58.1-172.252.900110.5V298 E300 Y304 L309 E315 I317V298-Q302 HydrophobicContact CG2-CG 3.97Å; V298-Q302 VanDerWaalsContact CG2-NE2 3.32Å; E300-Q302 PolarHBondContact O-N 3.38Å; Q302-Y304 HydrophobicContact CB-CD2 3.87Å; Q302-Y304 HydrophobicContact CB-CE2 4.33Å; Q302-Y304 PolarHBondContact O-N 2.93Å; Q302-L309 HydrophobicContact CB-CD1 3.83Å; Q302-L309 HydrophobicContact CG-CD1 4.29Å; Q302-E315 PolarHBondContact NE2-O 2.86Å; Q302-I317 PolarHBondContact NE2-O 3Å
303P89.9Confident91.6Very high123 Ų12392.4 Ų92.480%0.79947%0.468SS*.SBendtrans-79.245.9-172.835.4-38.6000113.3
304Y89.9Confident91.5Very high61 Ų6191.6 Ų91.624%0.23946%0.463CS..  trans-124.8117.1179.6-58.2-81.5000110.2Q302 L309 R319 D321Q302-Y304 HydrophobicContact CB-CD2 3.87Å; Q302-Y304 HydrophobicContact CB-CE2 4.33Å; Q302-Y304 PolarHBondContact O-N 2.93Å; Y304-L309 HydrophobicContact CD2-CD1 3.96Å; Y304-L309 HydrophobicContact CG-CD1 4.49Å; Y304-R319 HydrophobicContact CD2-CB 4.31Å; Y304-R319 HydrophobicContact CD2-CG 4.37Å; Y304-R319 HydrophobicContact CE1-CG 4.3Å; Y304-R319 HydrophobicContact CE2-CB 3.68Å; Y304-R319 HydrophobicContact CE2-CG 3.76Å; Y304-R319 WeakPolarHBondContact CE2-O 3.49Å; Y304-R319 PolarHBondContact OH-O 2.95Å; Y304-D321 HydrophobicContact CE1-CB 4.13Å; Y304-D321 PolarHBondContact OH-N 3.36Å
305E87.8Confident91.5Very high203 Ų20388 Ų8895%0.94945%0.454SS*.  trans-96.36.3-177.8-61.9-172.7174.600113.5G307E305-G307 PolarHBondContact O-N 2.95Å
306D89.4Confident91.5Very high64 Ų6490.5 Ų90.534%0.34246%0.462SS..SBendtrans-80-11.8-172.958.621.6000114.9Y308 R319D306-Y308 HydrophobicContact CB-CD2 3.65Å; D306-Y308 HydrophobicContact CB-CE2 3.79Å; D306-Y308 HydrophobicContact CB-CG 4.35Å; D306-Y308 PolarHBondContact O-N 3.42Å; D306-Y308 PolarHBondContact OD1-N 3.46Å; D306-Y308 VanDerWaalsContact OD2-CD2 3.25Å; D306-Y308 WeakPolarHBondContact OD2-CD2 3.29Å; D306-R319 IonicContact OD1-NH1 2.74Å; D306-R319 PolarHBondContact OD1-NH1 3.41Å; D306-R319 IonicContact OD2-CZ 3.35Å; D306-R319 VanDerWaalsContact OD2-CZ 3.32Å; D306-R319 IonicContact OD2-NH1 3.27Å; D306-R319 PolarHBondContact OD2-NH1 3.42Å; D306-R319 IonicContact OD2-NH2 3.99Å; D306-R319 PolarHBondContact OD2-NH2 3Å
307G90.9Very high91.6Very high41 Ų4187.1 Ų87.142%0.42345%0.446SS..SBendtrans80.2-9.1-17900000115E305 L309 K310 D311E305-G307 PolarHBondContact O-N 2.95Å; G307-L309 PolarHBondContact O-N 3.26Å; G307-K310 PolarHBondContact O-N 3.32Å; G307-D311 PolarHBondContact O-N 3Å
308Y93.4Very high91.6Very high67 Ų6782.4 Ų82.426%0.26343%0.428SS..Hα-helixtrans-67.1-32.2-171.8-65.5-43.1000113.9L282 D306 K310 D311 W312L282-Y308 HydrophobicContact CD1-CD2 4.49Å; L282-Y308 HydrophobicContact CD1-CE2 3.63Å; D306-Y308 HydrophobicContact CB-CD2 3.65Å; D306-Y308 HydrophobicContact CB-CE2 3.79Å; D306-Y308 HydrophobicContact CB-CG 4.35Å; D306-Y308 PolarHBondContact O-N 3.42Å; D306-Y308 PolarHBondContact OD1-N 3.46Å; D306-Y308 VanDerWaalsContact OD2-CD2 3.25Å; D306-Y308 WeakPolarHBondContact OD2-CD2 3.29Å; Y308-K310 PolarHBondContact O-N 3.25Å; Y308-D311 PolarHBondContact O-N 3.07Å; Y308-W312 HydrophobicContact CD1-CZ2 4.17Å; Y308-W312 HydrophobicContact CD2-CH2 4.11Å; Y308-W312 HydrophobicContact CD2-CZ2 4.22Å; Y308-W312 AromaticContact CG-CH2 3.98Å; Y308-W312 HydrophobicContact CG-CH2 3.98Å; Y308-W312 AromaticContact CG-CZ2 3.77Å; Y308-W312 HydrophobicContact CG-CZ2 3.77Å; Y308-W312 WeakPolarHBondContact O-CB 3.18Å; Y308-W312 PolarHBondContact O-N 2.61Å
309L92.9Very high91.8Very high16 Ų1680.7 Ų80.78%0.08442%0.418CS..Hα-helixtrans-56.2-39.6177.4-77.3172000112.4W85 Q302 Y304 G307 N313 L314 E315 R319W85-L309 HydrophobicContact CH2-CD2 3.83Å; W85-L309 HydrophobicContact CZ2-CD2 4Å; Q302-L309 HydrophobicContact CB-CD1 3.83Å; Q302-L309 HydrophobicContact CG-CD1 4.29Å; Y304-L309 HydrophobicContact CD2-CD1 3.96Å; Y304-L309 HydrophobicContact CG-CD1 4.49Å; G307-L309 PolarHBondContact O-N 3.26Å; L309-N313 PolarHBondContact O-N 2.91Å; L309-L314 PolarHBondContact O-N 3.49Å; L309-E315 HydrophobicContact CB-CG 3.94Å; L309-E315 PolarHBondContact O-N 3.31Å; L309-R319 HydrophobicContact CD2-CB 3.89Å
310K90.9Very high92.2Very high149 Ų14972.4 Ų72.465%0.64838%0.376SS*.Hα-helixtrans-72.9-45.5178.2-174179.8179.1-178.20111G307 Y308 W312 N313 E315G307-K310 PolarHBondContact O-N 3.32Å; Y308-K310 PolarHBondContact O-N 3.25Å; K310-W312 VanDerWaalsContact C-N 3.25Å; K310-W312 PolarHBondContact O-N 2.98Å; K310-N313 PolarHBondContact O-N 2.97Å; K310-N313 VanDerWaalsContact O-N 3.09Å; K310-E315 HydrophobicContact CB-CG 4.35Å
311D91.3Very high92.7Very high108 Ų10866.4 Ų66.458%0.57835%0.349SS*.Hα-helixtrans-61.4-35.4178.9-67.1-15.7000112.1G307 Y308 N313G307-D311 PolarHBondContact O-N 3Å; Y308-D311 PolarHBondContact O-N 3.07Å; D311-N313 VanDerWaalsContact C-N 3.35Å
312W94.1Very high93.3Very high4 Ų461.8 Ų61.82%0.01531%0.31CS..THydrogen-bonded Turntrans-87.3-2.1178.2-58.4-20.1000114A58 F62 R76 W85 V87 Y308 K310 L314A58-W312 HydrophobicContact CB-CH2 4.32Å; A58-W312 HydrophobicContact CB-CZ2 4.32Å; F62-W312 HydrophobicContact CB-CB 3.86Å; F62-W312 HydrophobicContact CB-CD2 3.56Å; F62-W312 HydrophobicContact CB-CE3 4.06Å; F62-W312 HydrophobicContact CB-CG 3.44Å; F62-W312 VanDerWaalsContact CB-CG 3.44Å; F62-W312 AromaticContact CD2-CD2 3.91Å; F62-W312 HydrophobicContact CD2-CD2 3.91Å; F62-W312 AromaticContact CD2-CE3 3.75Å; F62-W312 HydrophobicContact CD2-CE3 3.75Å; F62-W312 AromaticContact CD2-CH2 3.9Å; F62-W312 HydrophobicContact CD2-CH2 3.9Å; F62-W312 HydrophobicContact CD2-CZ2 4.05Å; F62-W312 AromaticContact CD2-CZ3 3.74Å; F62-W312 HydrophobicContact CD2-CZ3 3.74Å; F62-W312 HydrophobicContact CE2-CH2 4.36Å; F62-W312 HydrophobicContact CE2-CZ3 4.17Å; F62-W312 HydrophobicContact CG-CD2 4.08Å; F62-W312 HydrophobicContact CG-CE3 4.11Å; F62-W312 HydrophobicContact CG-CG 4.42Å; R76-W312 PolarHBondContact NH1-O 2.98Å; W85-W312 HydrophobicContact CH2-CE3 4.09Å; W85-W312 HydrophobicContact CH2-CZ3 4.45Å; W85-W312 AromaticContact CZ3-CE3 3.9Å; W85-W312 HydrophobicContact CZ3-CE3 3.9Å; W85-W312 HydrophobicContact CZ3-CZ3 4.03Å; V87-W312 HydrophobicContact CG2-CH2 3.69Å; V87-W312 HydrophobicContact CG2-CZ3 3.93Å; Y308-W312 HydrophobicContact CD1-CZ2 4.17Å; Y308-W312 HydrophobicContact CD2-CH2 4.11Å; Y308-W312 HydrophobicContact CD2-CZ2 4.22Å; Y308-W312 AromaticContact CG-CH2 3.98Å; Y308-W312 HydrophobicContact CG-CH2 3.98Å; Y308-W312 AromaticContact CG-CZ2 3.77Å; Y308-W312 HydrophobicContact CG-CZ2 3.77Å; Y308-W312 WeakPolarHBondContact O-CB 3.18Å; Y308-W312 PolarHBondContact O-N 2.61Å; K310-W312 VanDerWaalsContact C-N 3.25Å; K310-W312 PolarHBondContact O-N 2.98Å; W312-L314 VanDerWaalsContact C-N 3.28Å; W312-L314 HydrophobicContact CB-CB 4.5Å; W312-L314 HydrophobicContact CB-CD1 4.16Å; W312-L314 HydrophobicContact CB-CG 4.43Å; W312-L314 PolarHBondContact O-N 2.99Å
313N94.6Very high93.5Very high83 Ų8363.7 Ų63.744%0.44432%0.321SS..THydrogen-bonded Turntrans5245-175.4-16731.2000112.6L64 R76 L309 K310 D311 H316L64-N313 HydrophobicContact CD1-CB 3.76Å; R76-N313 PolarHBondContact NH2-O 3.09Å; L309-N313 PolarHBondContact O-N 2.91Å; K310-N313 PolarHBondContact O-N 2.97Å; K310-N313 VanDerWaalsContact O-N 3.09Å; D311-N313 VanDerWaalsContact C-N 3.35Å; N313-H316 PolarHBondContact O-CE1 3.05Å
314L94.8Very high93.7Very high0 Ų057.9 Ų57.90%028%0.283CS..  trans-124.413.4-177-76.8170.3000113.1F62 R76 I79 E80 W85 L309 W312 H316 I317F62-L314 HydrophobicContact CD1-CD1 4.17Å; R76-L314 VanDerWaalsContact CZ-CD2 3.42Å; R76-L314 VanDerWaalsContact NH2-CD2 3.34Å; I79-L314 HydrophobicContact CG2-CD1 4.21Å; I79-L314 HydrophobicContact CG2-CD2 3.69Å; E80-L314 HydrophobicContact CG-CD2 4.26Å; W85-L314 HydrophobicContact CD2-CD1 4.37Å; W85-L314 HydrophobicContact CE3-CD1 4.17Å; W85-L314 HydrophobicContact CH2-CB 3.71Å; W85-L314 HydrophobicContact CH2-CD1 3.52Å; W85-L314 HydrophobicContact CH2-CG 4.22Å; W85-L314 HydrophobicContact CZ2-CB 3.56Å; W85-L314 HydrophobicContact CZ2-CD1 3.76Å; W85-L314 HydrophobicContact CZ2-CG 4.14Å; W85-L314 HydrophobicContact CZ3-CD1 3.74Å; L309-L314 PolarHBondContact O-N 3.49Å; W312-L314 VanDerWaalsContact C-N 3.28Å; W312-L314 HydrophobicContact CB-CB 4.5Å; W312-L314 HydrophobicContact CB-CD1 4.16Å; W312-L314 HydrophobicContact CB-CG 4.43Å; W312-L314 PolarHBondContact O-N 2.99Å; L314-H316 PolarHBondContact O-N 3.06Å; L314-I317 HydrophobicContact CD2-CG1 4.34Å; L314-I317 PolarHBondContact O-N 3.04Å; L314-I317 VanDerWaalsContact O-O 3.05Å
315E93.9Very high94Very high107 Ų10755 Ų5550%0.527%0.272SS..THydrogen-bonded Turntrans-52.4-30.5179.1-62.2176.1107.200113.2Q302 L309 K310Q302-E315 PolarHBondContact NE2-O 2.86Å; L309-E315 HydrophobicContact CB-CG 3.94Å; L309-E315 PolarHBondContact O-N 3.31Å; K310-E315 HydrophobicContact CB-CG 4.35Å
316H94.2Very high94.5Very high77 Ų7746.1 Ų46.136%0.35623%0.231SC..THydrogen-bonded Turntrans-82.5-8.2-17766.6-79.6000114.6R297 V298 N313 L314R297-H316 VanDerWaalsContact CA-O 3.28Å; R297-H316 WeakPolarHBondContact CA-O 3.43Å; V298-H316 PolarHBondContact N-O 3.33Å; N313-H316 PolarHBondContact O-CE1 3.05Å; L314-H316 PolarHBondContact O-N 3.06Å
317I95.8Very high95Very high1 Ų143 Ų431%0.00522%0.215CC..BIsolated β-bridgetrans-116.8134.6176.6-51.6-62.4000109.1E80 W85 A295 R297 Q302 L314 R319E80-I317 HydrophobicContact CG-CG1 4.42Å; W85-I317 VanDerWaalsContact NE1-CG2 3.25Å; A295-I317 HydrophobicContact CB-CG2 4.38Å; R297-I317 HydrophobicContact CG-CD1 4.01Å; Q302-I317 PolarHBondContact NE2-O 3Å; L314-I317 HydrophobicContact CD2-CG1 4.34Å; L314-I317 PolarHBondContact O-N 3.04Å; L314-I317 VanDerWaalsContact O-O 3.05Å; I317-R319 PolarHBondContact O-N 2.72Å
318R95.7Very high95.3Very high106 Ų10641.1 Ų41.140%0.419%0.194SC..  trans-61.6121.1179.4-168.5177.7-173160.84.9111.7W85 Q296 V298W85-R318 PolarHBondContact NE1-O 3.04Å; Q296-R318 HydrophobicContact CB-CB 3.94Å; Q296-R318 PolarHBondContact O-N 2.86Å; V298-R318 HydrophobicContact CG1-CB 3.89Å; V298-R318 HydrophobicContact CG1-CG 4.38Å
319R95.9Very high95.5Very high4 Ų437.9 Ų37.92%0.01518%0.182CC..BIsolated β-bridgetrans-86.4132.3170.9174.8179.5172.1-170.4-8.2110.3W85 Y304 D306 L309 I317 D321W85-R319 HydrophobicContact CH2-CB 3.95Å; W85-R319 HydrophobicContact CH2-CG 4.1Å; W85-R319 HydrophobicContact CZ2-CB 3.76Å; W85-R319 HydrophobicContact CZ2-CG 4.38Å; W85-R319 HydrophobicContact CZ3-CG 4.33Å; Y304-R319 HydrophobicContact CD2-CB 4.31Å; Y304-R319 HydrophobicContact CD2-CG 4.37Å; Y304-R319 HydrophobicContact CE1-CG 4.3Å; Y304-R319 HydrophobicContact CE2-CB 3.68Å; Y304-R319 HydrophobicContact CE2-CG 3.76Å; Y304-R319 WeakPolarHBondContact CE2-O 3.49Å; Y304-R319 PolarHBondContact OH-O 2.95Å; D306-R319 IonicContact OD1-NH1 2.74Å; D306-R319 PolarHBondContact OD1-NH1 3.41Å; D306-R319 IonicContact OD2-CZ 3.35Å; D306-R319 VanDerWaalsContact OD2-CZ 3.32Å; D306-R319 IonicContact OD2-NH1 3.27Å; D306-R319 PolarHBondContact OD2-NH1 3.42Å; D306-R319 IonicContact OD2-NH2 3.99Å; D306-R319 PolarHBondContact OD2-NH2 3Å; L309-R319 HydrophobicContact CD2-CB 3.89Å; I317-R319 PolarHBondContact O-N 2.72Å; R319-D321 VanDerWaalsContact CG-OD1 3.29Å; R319-D321 WeakPolarHBondContact CG-OD1 3.41Å; R319-D321 IonicContact CZ-OD1 3.05Å; R319-D321 IonicContact CZ-OD2 2.83Å; R319-D321 IonicContact NE-OD1 3.04Å; R319-D321 PolarHBondContact NE-OD1 2.84Å; R319-D321 IonicContact NE-OD2 2.88Å; R319-D321 PolarHBondContact NE-OD2 2.9Å; R319-D321 IonicContact NH2-OD1 2.88Å; R319-D321 IonicContact NH2-OD2 3.93Å; R319-D321 PolarHBondContact NH2-OD2 3.06Å
320A96.3Very high95.8Very high4 Ų437.2 Ų37.23%0.03318%0.178CC..  trans-125.988.9179.500000110.6T84 W85 L350 Y351T84-A320 HydrophobicContact CG2-CB 4.1Å; W85-A320 PolarHBondContact O-N 3.14Å; A320-L350 HydrophobicContact CB-CB 4.16Å; A320-L350 HydrophobicContact CB-CD1 4.11Å; A320-Y351 HydrophobicContact CB-CD2 4.38Å; A320-Y351 HydrophobicContact CB-CE2 3.71Å; A320-Y351 WeakPolarHBondContact O-CE2 3.48Å; A320-Y351 PolarHBondContact O-OH 3.36Å
321D97.3Very high96.1Very high41 Ų4130.1 Ų30.122%0.21915%0.148CC..  trans-73.7149.5178.6-75.512.4000112.5V87 H89 Y304 R319V87-D321 PolarHBondContact N-OD1 3.11Å; V87-D321 VanDerWaalsContact O-CA 3.32Å; V87-D321 WeakPolarHBondContact O-CA 2.97Å; H89-D321 IonicContact CE1-OD2 3.89Å; H89-D321 IonicContact NE2-OD2 3.83Å; H89-D321 PolarHBondContact NE2-OD2 3.43Å; Y304-D321 HydrophobicContact CE1-CB 4.13Å; Y304-D321 PolarHBondContact OH-N 3.36Å; R319-D321 VanDerWaalsContact CG-OD1 3.29Å; R319-D321 WeakPolarHBondContact CG-OD1 3.41Å; R319-D321 IonicContact CZ-OD1 3.05Å; R319-D321 IonicContact CZ-OD2 2.83Å; R319-D321 IonicContact NE-OD1 3.04Å; R319-D321 PolarHBondContact NE-OD1 2.84Å; R319-D321 IonicContact NE-OD2 2.88Å; R319-D321 PolarHBondContact NE-OD2 2.9Å; R319-D321 IonicContact NH2-OD1 2.88Å; R319-D321 IonicContact NH2-OD2 3.93Å; R319-D321 PolarHBondContact NH2-OD2 3.06Å
322V97.4Very high96.5Very high9 Ų925 Ų256%0.05512%0.12CC..EExtended strand (participates in β ladder)trans-137156.9177.9-55.80000111.2V87 S88 H89 L285 D326 I327 P348 Y351V87-V322 PolarHBondContact O-N 2.89Å; S88-V322 WeakPolarHBondContact CA-O 3.4Å; H89-V322 PolarHBondContact CD2-O 3.23Å; H89-V322 PolarHBondContact N-O 3.32Å; L285-V322 HydrophobicContact CD2-CG1 4.32Å; L285-V322 HydrophobicContact CD2-CG2 3.39Å; V322-D326 HydrophobicContact CB-CB 4.11Å; V322-I327 HydrophobicContact CG2-CD1 4.37Å; V322-I327 HydrophobicContact CG2-CG1 4.13Å; V322-P348 HydrophobicContact CG1-CB 3.73Å; V322-P348 HydrophobicContact CG1-CG 4.32Å; V322-Y351 HydrophobicContact CG1-CD2 4.29Å; V322-Y351 HydrophobicContact CG1-CE2 3.67Å
323N96.6Very high96.6Very high70 Ų7025 Ų2537%0.37412%0.121SC..EExtended strand (participates in β ladder)trans-74.8146161.1-62.1-75.3000108.7A325 D326N323-A325 PolarHBondContact O-N 3.09Å; N323-A325 VanDerWaalsContact O-N 3.09Å; N323-D326 WeakPolarHBondContact CB-OD2 3.32Å; N323-D326 PolarHBondContact N-OD2 3.15Å; N323-D326 PolarHBondContact ND2-OD2 2.96Å; N323-D326 WeakPolarHBondContact O-CB 3.42Å; N323-D326 PolarHBondContact O-N 2.81Å
324Q95.4Very high96.8Very high1 Ų121 Ų211%0.00510%0.1CC..G310 helixtrans-55.8-34.1-177.6-168.4175.149.100113.7H89 T90 A102 L103 S263 D264 D326 I327H89-Q324 PolarHBondContact O-N 3.28Å; T90-Q324 PolarHBondContact OG1-OE1 3.03Å; A102-Q324 HydrophobicContact CB-CB 4.36Å; A102-Q324 HydrophobicContact CB-CG 4.04Å; L103-Q324 HydrophobicContact CD2-CG 3.47Å; L103-Q324 VanDerWaalsContact CD2-CG 3.47Å; L103-Q324 HydrophobicContact CG-CG 3.72Å; S263-Q324 PolarHBondContact O-NE2 2.88Å; D264-Q324 PolarHBondContact O-NE2 3.42Å; Q324-D326 PolarHBondContact O-N 2.93Å; Q324-I327 WeakPolarHBondContact O-CB 3.46Å; Q324-I327 PolarHBondContact O-N 2.68Å
325A96.2Very high96.9Very high1 Ų121.1 Ų21.11%0.00810%0.1CC..G310 helixtrans-65-20.417600000114.3A102 G106 Y108 N323 I327 P329 V344 G345A102-A325 WeakPolarHBondContact O-CA 3.39Å; G106-A325 WeakPolarHBondContact CA-O 3.49Å; G106-A325 WeakPolarHBondContact O-CB 3.21Å; Y108-A325 HydrophobicContact CE1-CB 4.39Å; Y108-A325 HydrophobicContact CE2-CB 3.72Å; Y108-A325 PolarHBondContact OH-N 2.86Å; N323-A325 PolarHBondContact O-N 3.09Å; N323-A325 VanDerWaalsContact O-N 3.09Å; A325-I327 PolarHBondContact O-N 3.49Å; A325-P329 WeakPolarHBondContact O-CD 3.27Å; A325-V344 HydrophobicContact CB-CG2 4.32Å; A325-G345 WeakPolarHBondContact O-CA 3.48Å
326D98.2Very high97Very high15 Ų1516.6 Ų16.68%0.088%0.082CC..G310 helixtrans-73.7-15.2179.4-57.5-22.9000112V322 N323 Q324 P329 L330 G345 V346 P348V322-D326 HydrophobicContact CB-CB 4.11Å; N323-D326 WeakPolarHBondContact CB-OD2 3.32Å; N323-D326 PolarHBondContact N-OD2 3.15Å; N323-D326 PolarHBondContact ND2-OD2 2.96Å; N323-D326 WeakPolarHBondContact O-CB 3.42Å; N323-D326 PolarHBondContact O-N 2.81Å; Q324-D326 PolarHBondContact O-N 2.93Å; D326-P329 VanDerWaalsContact O-CD 3.28Å; D326-P329 WeakPolarHBondContact O-CD 3.18Å; D326-P329 VanDerWaalsContact O-CG 3.28Å; D326-P329 WeakPolarHBondContact O-CG 3.29Å; D326-L330 PolarHBondContact O-N 2.82Å; D326-G345 WeakPolarHBondContact OD1-CA 3.4Å; D326-V346 WeakPolarHBondContact CB-O 3.2Å; D326-V346 PolarHBondContact OD1-N 2.82Å; D326-P348 WeakPolarHBondContact O-CD 3.5Å
327I98.6Very high97.1Very high0 Ų013.1 Ų13.10%07%0.066CC..Hα-helixtrans-71.2-34.3-180-64.2168.7000110.9L103 V260 L285 V322 Q324 A325 L330 M331L103-I327 HydrophobicContact CD2-CB 4.18Å; L103-I327 HydrophobicContact CD2-CD1 3.31Å; L103-I327 HydrophobicContact CD2-CG1 4.3Å; L103-I327 HydrophobicContact CD2-CG2 4.24Å; V260-I327 HydrophobicContact CG1-CG2 4.13Å; L285-I327 HydrophobicContact CD1-CD1 4.04Å; L285-I327 HydrophobicContact CD1-CG1 4.44Å; L285-I327 HydrophobicContact CD2-CD1 4.14Å; L285-I327 HydrophobicContact CD2-CG1 4.16Å; V322-I327 HydrophobicContact CG2-CD1 4.37Å; V322-I327 HydrophobicContact CG2-CG1 4.13Å; Q324-I327 WeakPolarHBondContact O-CB 3.46Å; Q324-I327 PolarHBondContact O-N 2.68Å; A325-I327 PolarHBondContact O-N 3.49Å; I327-L330 WeakPolarHBondContact O-CB 3.4Å; I327-L330 PolarHBondContact O-N 3.01Å; I327-M331 HydrophobicContact CG2-CE 4.18Å; I327-M331 HydrophobicContact CG2-CG 4.41Å; I327-M331 WeakPolarHBondContact O-CG 2.83Å; I327-M331 PolarHBondContact O-N 2.94Å
328A98Very high97.1Very high0 Ų014 Ų140%07%0.072CC..Hα-helixtrans-60.5-53.4174.700000113.2L103 V128 L330 M331 A332L103-A328 PolarHBondContact O-N 2.9Å; V128-A328 HydrophobicContact CG1-CB 4.29Å; A328-L330 VanDerWaalsContact C-N 3.26Å; A328-L330 PolarHBondContact O-N 3.49Å; A328-M331 PolarHBondContact O-N 3.24Å; A328-A332 PolarHBondContact O-N 3.35Å
329P97.9Very high97.1Very high0 Ų09.1 Ų9.10%05%0.053CC..Hα-helixtrans-66.7-24.6175.424.6-32.4000113.2A325 D326 S333 I339A325-P329 WeakPolarHBondContact O-CD 3.27Å; D326-P329 VanDerWaalsContact O-CD 3.28Å; D326-P329 WeakPolarHBondContact O-CD 3.18Å; D326-P329 VanDerWaalsContact O-CG 3.28Å; D326-P329 WeakPolarHBondContact O-CG 3.29Å; P329-S333 VanDerWaalsContact O-CB 3.29Å; P329-S333 WeakPolarHBondContact O-CB 3.08Å; P329-S333 PolarHBondContact O-N 3.29Å; P329-S333 PolarHBondContact O-OG 2.86Å; P329-I339 HydrophobicContact CB-CD1 4.27Å; P329-I339 HydrophobicContact CB-CG1 4.37Å; P329-I339 HydrophobicContact CB-CG2 4.23Å
330L98.4Very high97Very high1 Ų18.9 Ų8.91%0.0055%0.053CC..Hα-helixtrans-62.3-53168.9175.758.1000111.2V287 D326 I327 A328 A332 S333 L334 P348 Y351 L352V287-L330 HydrophobicContact CG1-CD2 4.49Å; V287-L330 HydrophobicContact CG2-CD2 4.2Å; D326-L330 PolarHBondContact O-N 2.82Å; I327-L330 WeakPolarHBondContact O-CB 3.4Å; I327-L330 PolarHBondContact O-N 3.01Å; A328-L330 VanDerWaalsContact C-N 3.26Å; A328-L330 PolarHBondContact O-N 3.49Å; L330-A332 PolarHBondContact O-N 2.98Å; L330-S333 PolarHBondContact O-N 3.16Å; L330-L334 HydrophobicContact CD1-CD1 3.97Å; L330-L334 HydrophobicContact CD1-CG 4.15Å; L330-L334 HydrophobicContact CG-CD1 4.08Å; L330-L334 WeakPolarHBondContact O-CG 3.45Å; L330-L334 PolarHBondContact O-N 3.39Å; L330-P348 HydrophobicContact CB-CG 3.72Å; L330-P348 HydrophobicContact CD1-CG 4.13Å; L330-P348 HydrophobicContact CD2-CG 4.03Å; L330-P348 HydrophobicContact CG-CG 4.16Å; L330-Y351 HydrophobicContact CD2-CD1 4.29Å; L330-Y351 HydrophobicContact CD2-CG 4.19Å; L330-L352 HydrophobicContact CD1-CD2 3.82Å; L330-L352 HydrophobicContact CD1-CG 4.37Å
331M98.6Very high96.9Very high1 Ų19.6 Ų9.61%0.0056%0.057CC..Hα-helixtrans-59.8-45.4178.7-69.2-169.5-71.100111.6L48 L50 L103 V128 V260 I327 A328 S333 L334 L335L48-M331 HydrophobicContact CD1-CB 3.85Å; L48-M331 HydrophobicContact CD1-CG 3.74Å; L48-M331 HydrophobicContact CD1-SD 4.49Å; L48-M331 HydrophobicContact CD2-CG 4.14Å; L48-M331 HydrophobicContact CD2-SD 3.8Å; L50-M331 HydrophobicContact CB-SD 4.45Å; L50-M331 HydrophobicContact CD1-SD 4.1Å; L50-M331 HydrophobicContact CD2-CE 4.36Å; L50-M331 HydrophobicContact CD2-SD 4.06Å; L50-M331 HydrophobicContact CG-SD 4.43Å; L103-M331 WeakPolarHBondContact O-CE 3.25Å; V128-M331 HydrophobicContact CG1-CB 4.33Å; V128-M331 HydrophobicContact CG1-CE 4.32Å; V128-M331 HydrophobicContact CG2-CE 3.55Å; V128-M331 HydrophobicContact CG2-SD 4.28Å; V260-M331 HydrophobicContact CG2-CG 4.23Å; I327-M331 HydrophobicContact CG2-CE 4.18Å; I327-M331 HydrophobicContact CG2-CG 4.41Å; I327-M331 WeakPolarHBondContact O-CG 2.83Å; I327-M331 PolarHBondContact O-N 2.94Å; A328-M331 PolarHBondContact O-N 3.24Å; M331-S333 VanDerWaalsContact C-N 3.32Å; M331-S333 PolarHBondContact O-N 3.42Å; M331-L334 PolarHBondContact O-N 2.81Å; M331-L335 WeakPolarHBondContact O-CB 3.38Å; M331-L335 PolarHBondContact O-N 2.93Å; M331-L335 VanDerWaalsContact O-N 3.15Å
332A97.8Very high96.7Very high1 Ų18 Ų81%0.0085%0.048CC..Hα-helixtrans-59.7-41.717700000112V128 A328 L330 G336 L337 I339V128-A332 HydrophobicContact CG1-CB 4.44Å; A328-A332 PolarHBondContact O-N 3.35Å; L330-A332 PolarHBondContact O-N 2.98Å; A332-G336 WeakPolarHBondContact O-CA 3.36Å; A332-G336 PolarHBondContact O-N 3.19Å; A332-L337 HydrophobicContact CB-CB 4.25Å; A332-L337 PolarHBondContact O-N 3.26Å; A332-I339 HydrophobicContact CB-CG1 4.04Å
333S97.2Very high96.6Very high3 Ų37.6 Ų7.62%0.0215%0.045CC..Hα-helixtrans-68.1-40.7178.5-58.60000112.6P329 L330 M331 L335 T347 F358P329-S333 VanDerWaalsContact O-CB 3.29Å; P329-S333 WeakPolarHBondContact O-CB 3.08Å; P329-S333 PolarHBondContact O-N 3.29Å; P329-S333 PolarHBondContact O-OG 2.86Å; L330-S333 PolarHBondContact O-N 3.16Å; M331-S333 VanDerWaalsContact C-N 3.32Å; M331-S333 PolarHBondContact O-N 3.42Å; S333-L335 VanDerWaalsContact C-N 3.3Å; S333-L335 PolarHBondContact O-N 3.43Å; S333-T347 WeakPolarHBondContact OG-CG2 3.47Å; S333-F358 WeakPolarHBondContact O-CZ 3.47Å
334L97.9Very high96.5Very high0 Ų06.1 Ų6.10%04%0.039CC..Hα-helixtrans-64.2-36.4179-72.9169.8000112.2P44 A45 L48 A258 V292 L330 M331 L352P44-L334 WeakPolarHBondContact CD-O 3.49Å; P44-L334 HydrophobicContact CG-CD2 4.18Å; P44-L334 WeakPolarHBondContact CG-O 3.42Å; A45-L334 WeakPolarHBondContact CB-O 3.49Å; A45-L334 PolarHBondContact N-O 3.31Å; L48-L334 HydrophobicContact CD1-CB 4.46Å; L48-L334 HydrophobicContact CD1-CD1 4.31Å; A258-L334 HydrophobicContact CB-CD1 4.19Å; V292-L334 HydrophobicContact CG2-CD1 4.31Å; V292-L334 HydrophobicContact CG2-CD2 4Å; L330-L334 HydrophobicContact CD1-CD1 3.97Å; L330-L334 HydrophobicContact CD1-CG 4.15Å; L330-L334 HydrophobicContact CG-CD1 4.08Å; L330-L334 WeakPolarHBondContact O-CG 3.45Å; L330-L334 PolarHBondContact O-N 3.39Å; M331-L334 PolarHBondContact O-N 2.81Å; L334-L352 HydrophobicContact CD2-CD2 3.69Å; L334-L352 HydrophobicContact CG-CD2 4.11Å
335L97.1Very high96.5Very high2 Ų26.1 Ų6.11%0.014%0.039CC..Hα-helixtrans-102-8.3-172.5-162.265.7000113.6P43 A45 S46 L48 K205 I207 M331 S333 L337P43-L335 VanDerWaalsContact CB-C 3.43Å; A45-L335 HydrophobicContact CB-CD1 4.49Å; S46-L335 WeakPolarHBondContact O-CD1 3.34Å; L48-L335 HydrophobicContact CB-CD1 4.5Å; L48-L335 HydrophobicContact CB-CD2 4.29Å; K205-L335 HydrophobicContact CB-CG 4.46Å; I207-L335 HydrophobicContact CD1-CD2 4.1Å; I207-L335 HydrophobicContact CG1-CD2 3.66Å; M331-L335 WeakPolarHBondContact O-CB 3.38Å; M331-L335 PolarHBondContact O-N 2.93Å; M331-L335 VanDerWaalsContact O-N 3.15Å; S333-L335 VanDerWaalsContact C-N 3.3Å; S333-L335 PolarHBondContact O-N 3.43Å; L335-L337 HydrophobicContact CB-CD2 4.43Å; L335-L337 HydrophobicContact CB-CG 4.07Å; L335-L337 HydrophobicContact CD2-CD1 3.95Å; L335-L337 HydrophobicContact CD2-CD2 4.06Å; L335-L337 HydrophobicContact CD2-CG 4.05Å; L335-L337 HydrophobicContact CG-CD2 4.1Å; L335-L337 HydrophobicContact CG-CG 4.2Å
336G95.7Very high96.6Very high12 Ų128.1 Ų8.112%0.1245%0.051CC..THydrogen-bonded Turntrans70.636.5-179.200000112.8K205 A332K205-G336 PolarHBondContact NZ-O 3.44Å; A332-G336 WeakPolarHBondContact O-CA 3.36Å; A332-G336 PolarHBondContact O-N 3.19Å
337L96.2Very high96.6Very high4 Ų47.5 Ų7.52%0.0215%0.048CC..PPolyproline II helixtrans-89.1157.1172.8-51.7-170.7000110.1V128 E131 K205 I207 A332 L335V128-L337 HydrophobicContact CB-CD1 4.4Å; V128-L337 VanDerWaalsContact O-CD1 3.29Å; V128-L337 WeakPolarHBondContact O-CD1 3.45Å; E131-L337 HydrophobicContact CB-CB 4.14Å; E131-L337 HydrophobicContact CB-CD1 4.27Å; E131-L337 WeakPolarHBondContact O-CD2 3.34Å; K205-L337 HydrophobicContact CB-CD2 3.74Å; K205-L337 HydrophobicContact CD-CD2 3.72Å; K205-L337 HydrophobicContact CG-CD2 3.68Å; I207-L337 HydrophobicContact CD1-CD1 4.16Å; A332-L337 HydrophobicContact CB-CB 4.25Å; A332-L337 PolarHBondContact O-N 3.26Å; L335-L337 HydrophobicContact CB-CD2 4.43Å; L335-L337 HydrophobicContact CB-CG 4.07Å; L335-L337 HydrophobicContact CD2-CD1 3.95Å; L335-L337 HydrophobicContact CD2-CD2 4.06Å; L335-L337 HydrophobicContact CD2-CG 4.05Å; L335-L337 HydrophobicContact CG-CD2 4.1Å; L335-L337 HydrophobicContact CG-CG 4.2Å
338P95.8Very high96.5Very high19 Ų198.3 Ų8.312%0.1235%0.053CC..PPolyproline II helixtrans-54142158.2-25.936.4000111.6P36 Q37 E131P36-P338 HydrophobicContact CB-CB 3.65Å; P36-P338 HydrophobicContact CB-CG 4.2Å; Q37-P338 VanDerWaalsContact O-CA 3.25Å; Q37-P338 WeakPolarHBondContact O-CA 3.4Å; E131-P338 HydrophobicContact CG-CB 4.16Å; E131-P338 WeakPolarHBondContact OE2-CB 3.29Å; E131-P338 WeakPolarHBondContact OE2-CD 3.43Å; E131-P338 WeakPolarHBondContact OE2-CG 3.46Å
339I96.3Very high96.4Very high3 Ų39.8 Ų9.82%0.0156%0.061CC..PPolyproline II helixtrans-72.5132.4172-65.4169.6000107.2Q37 P329 A332 V341 T365 N366 Q369Q37-I339 PolarHBondContact O-N 3.25Å; P329-I339 HydrophobicContact CB-CD1 4.27Å; P329-I339 HydrophobicContact CB-CG1 4.37Å; P329-I339 HydrophobicContact CB-CG2 4.23Å; A332-I339 HydrophobicContact CB-CG1 4.04Å; I339-V341 PolarHBondContact O-N 3.41Å; I339-T365 HydrophobicContact CD1-CG2 4.36Å; I339-N366 HydrophobicContact CD1-CB 3.63Å; I339-Q369 HydrophobicContact CB-CG 4.19Å; I339-Q369 HydrophobicContact CG2-CG 4.15Å
340P94.7Very high96.3Very high0 Ų013.5 Ų13.50%08%0.08CC..PPolyproline II helixtrans-50.2133.9-178.6-29.535.8000111.7A105 D126 V128 N342 S343A105-P340 WeakPolarHBondContact O-CB 3.45Å; D126-P340 VanDerWaalsContact OD2-CA 3.27Å; D126-P340 WeakPolarHBondContact OD2-CA 3.3Å; V128-P340 HydrophobicContact CG1-CG 3.78Å; P340-N342 PolarHBondContact O-N 3.32Å; P340-S343 WeakPolarHBondContact O-CB 3.31Å; P340-S343 PolarHBondContact O-N 2.99Å
341V93.6Very high96.3Very high19 Ų1913.5 Ų13.512%0.1158%0.08CC..THydrogen-bonded Turntrans-64.2-26.1-161-65.40000114.6M34 P36 D126 I339 Q369 Q373M34-V341 HydrophobicContact CB-CB 4.33Å; M34-V341 HydrophobicContact CE-CB 3.95Å; M34-V341 HydrophobicContact CE-CG2 3.93Å; M34-V341 HydrophobicContact SD-CB 4.47Å; M34-V341 VanDerWaalsContact SD-O 3.37Å; P36-V341 HydrophobicContact CB-CG1 4.1Å; P36-V341 HydrophobicContact CG-CG1 3.77Å; D126-V341 HydrophobicContact CB-CG2 3.8Å; D126-V341 PolarHBondContact OD2-N 3.44Å; I339-V341 PolarHBondContact O-N 3.41Å; V341-Q369 VanDerWaalsContact CA-NE2 3.32Å; V341-Q369 PolarHBondContact O-NE2 3.06Å; V341-Q373 VanDerWaalsContact O-CG 3.28Å; V341-Q373 WeakPolarHBondContact O-CG 3.47Å; V341-Q373 PolarHBondContact O-NE2 3.23Å
342N93.3Very high96.2Very high7 Ų713.5 Ų13.54%0.0378%0.08CC..THydrogen-bonded Turntrans-97.76.8177.1-73.8-70.2000113.5L30 V31 F107 P340 V344L30-N342 HydrophobicContact CD2-CB 3.79Å; V31-N342 PolarHBondContact N-OD1 3.49Å; V31-N342 PolarHBondContact O-ND2 2.93Å; V31-N342 PolarHBondContact O-OD1 2.69Å; V31-N342 VanDerWaalsContact O-OD1 3.07Å; F107-N342 WeakPolarHBondContact CB-O 3.38Å; F107-N342 HydrophobicContact CD1-CB 4.31Å; P340-N342 PolarHBondContact O-N 3.32Å; N342-V344 PolarHBondContact O-N 2.92Å
343S95Very high96.1Very high0 Ų017.6 Ų17.60%010%0.102CC..  trans-62.6129.1179.6-177.70000110.9G106 P340 G345 Q373G106-S343 CarbonylContact O-C 3.56Å; G106-S343 VanDerWaalsContact O-CA 3.28Å; G106-S343 WeakPolarHBondContact O-CA 3.43Å; G106-S343 PolarHBondContact O-OG 2.71Å; P340-S343 WeakPolarHBondContact O-CB 3.31Å; P340-S343 PolarHBondContact O-N 2.99Å; S343-G345 PolarHBondContact OG-N 3.05Å; S343-Q373 PolarHBondContact O-NE2 2.93Å
344V95.1Very high96.1Very high40 Ų4019.9 Ų19.924%0.24211%0.114CC..  trans-1013.9170.8-58.80000111.9G106 Y108 A325 N342 L432G106-V344 PolarHBondContact O-N 3.44Å; Y108-V344 HydrophobicContact CD2-CG2 4.17Å; Y108-V344 HydrophobicContact CE2-CG2 4.2Å; A325-V344 HydrophobicContact CB-CG2 4.32Å; N342-V344 PolarHBondContact O-N 2.92Å; V344-L432 HydrophobicContact CB-CD2 3.89Å; V344-L432 HydrophobicContact CG1-CD2 3.93Å
345G95.9Very high96Very high0 Ų022.8 Ų22.80%013%0.134CC..  trans-72.4152.8-179.400000112.8A325 D326 S343 N366A325-G345 WeakPolarHBondContact O-CA 3.48Å; D326-G345 WeakPolarHBondContact OD1-CA 3.4Å; S343-G345 PolarHBondContact OG-N 3.05Å; G345-N366 PolarHBondContact O-ND2 3.08Å; G345-N366 PolarHBondContact O-OD1 3.48Å
346V97.6Very high96Very high44 Ų4426.5 Ų26.527%0.26715%0.154SC..  trans-107.5126.5175.9-174.30000109.3D326 P348 M363 N366 I428D326-V346 WeakPolarHBondContact CB-O 3.2Å; D326-V346 PolarHBondContact OD1-N 2.82Å; V346-P348 VanDerWaalsContact O-CD 3.25Å; V346-P348 WeakPolarHBondContact O-CD 3.38Å; V346-P348 VanDerWaalsContact O-N 3.09Å; V346-M363 HydrophobicContact CG1-CE 4.02Å; V346-M363 HydrophobicContact CG1-SD 4.29Å; V346-N366 VanDerWaalsContact CA-OD1 3.3Å; V346-N366 WeakPolarHBondContact CA-OD1 3.33Å; V346-I428 HydrophobicContact CG1-CD1 4.4Å; V346-I428 HydrophobicContact CG2-CG2 4.05Å
347T97.2Very high96Very high2 Ų229.9 Ų29.91%0.01217%0.167CC..  trans-55.9116.4-179.5-55.30000111.1S333 L349 L352 M363 N366S333-T347 WeakPolarHBondContact OG-CG2 3.47Å; T347-L349 HydrophobicContact CG2-CD2 4.09Å; T347-L349 PolarHBondContact O-N 3.08Å; T347-L352 HydrophobicContact CG2-CD1 3.9Å; T347-M363 WeakPolarHBondContact O-CE 3.21Å; T347-N366 PolarHBondContact N-OD1 3.49Å; T347-N366 PolarHBondContact OG1-OD1 3.21Å
348P97.2Very high96.1Very high17 Ų1729.9 Ų29.911%0.1117%0.167CC..  trans-81.587.5-173.432.3-34.3000110.7V322 D326 L330 V346 L350 Y351V322-P348 HydrophobicContact CG1-CB 3.73Å; V322-P348 HydrophobicContact CG1-CG 4.32Å; D326-P348 WeakPolarHBondContact O-CD 3.5Å; L330-P348 HydrophobicContact CB-CG 3.72Å; L330-P348 HydrophobicContact CD1-CG 4.13Å; L330-P348 HydrophobicContact CD2-CG 4.03Å; L330-P348 HydrophobicContact CG-CG 4.16Å; V346-P348 VanDerWaalsContact O-CD 3.25Å; V346-P348 WeakPolarHBondContact O-CD 3.38Å; V346-P348 VanDerWaalsContact O-N 3.09Å; P348-L350 PolarHBondContact O-N 2.94Å; P348-Y351 HydrophobicContact CB-CD2 3.97Å; P348-Y351 HydrophobicContact CG-CD2 4.29Å; P348-Y351 WeakPolarHBondContact O-CB 3.31Å; P348-Y351 PolarHBondContact O-N 2.98Å
349L96.7Very high96.2Very high30 Ų3030.9 Ų30.916%0.15717%0.169CC..G310 helixtrans-59.5-23.1-172.5-59.8-176.9000114.6T347 Y351 L352 K359 M363 I421T347-L349 HydrophobicContact CG2-CD2 4.09Å; T347-L349 PolarHBondContact O-N 3.08Å; L349-Y351 PolarHBondContact O-N 3.45Å; L349-L352 HydrophobicContact CD2-CD1 4.11Å; L349-L352 PolarHBondContact O-N 2.87Å; L349-K359 HydrophobicContact CD1-CB 4.47Å; L349-K359 HydrophobicContact CD2-CB 4.03Å; L349-K359 HydrophobicContact CD2-CG 4.3Å; L349-M363 HydrophobicContact CD1-CE 3.82Å; L349-M363 HydrophobicContact CD2-CE 4.11Å; L349-M363 HydrophobicContact CG-CE 3.77Å; L349-I421 HydrophobicContact CD1-CD1 3.91Å; L349-I421 HydrophobicContact CD1-CG1 4.14Å; L349-I421 HydrophobicContact CD1-CG2 3.59Å
350L95.6Very high96.3Very high78 Ų7830.8 Ų30.841%0.40817%0.168SC..G310 helixtrans-64.6-23.5175.7-68.8179.5000112.8N293 A320 P348N293-L350 PolarHBondContact ND2-O 3.19Å; A320-L350 HydrophobicContact CB-CB 4.16Å; A320-L350 HydrophobicContact CB-CD1 4.11Å; P348-L350 PolarHBondContact O-N 2.94Å
351Y97.9Very high96.4Very high1 Ų131.7 Ų31.70%0.00417%0.173CC..G310 helixtrans-82.6-21.6175.8-77.6-97.3000112.8T84 G86 L285 V287 V292 N293 A320 V322 L330 P348 L349T84-Y351 HydrophobicContact CG2-CD1 3.61Å; T84-Y351 HydrophobicContact CG2-CD2 4.19Å; T84-Y351 HydrophobicContact CG2-CE1 3.63Å; T84-Y351 HydrophobicContact CG2-CE2 4.2Å; T84-Y351 HydrophobicContact CG2-CG 3.92Å; G86-Y351 PolarHBondContact N-OH 2.76Å; L285-Y351 HydrophobicContact CD2-CE1 4.09Å; L285-Y351 HydrophobicContact CD2-CE2 4.3Å; L285-Y351 VanDerWaalsContact CD2-OH 3.3Å; L285-Y351 WeakPolarHBondContact CD2-OH 3.42Å; L285-Y351 HydrophobicContact CG-CE1 4.21Å; V287-Y351 HydrophobicContact CB-CD1 3.7Å; V287-Y351 HydrophobicContact CB-CE1 3.9Å; V287-Y351 HydrophobicContact CG1-CD1 4.36Å; V287-Y351 HydrophobicContact CG2-CD1 3.67Å; V287-Y351 HydrophobicContact CG2-CE1 3.54Å; V292-Y351 CarbonylContact C-O 3.5Å; V292-Y351 VanDerWaalsContact CA-O 3.27Å; V292-Y351 WeakPolarHBondContact CA-O 3.42Å; V292-Y351 WeakPolarHBondContact CG1-O 3.22Å; N293-Y351 PolarHBondContact N-O 3.35Å; A320-Y351 HydrophobicContact CB-CD2 4.38Å; A320-Y351 HydrophobicContact CB-CE2 3.71Å; A320-Y351 WeakPolarHBondContact O-CE2 3.48Å; A320-Y351 PolarHBondContact O-OH 3.36Å; V322-Y351 HydrophobicContact CG1-CD2 4.29Å; V322-Y351 HydrophobicContact CG1-CE2 3.67Å; L330-Y351 HydrophobicContact CD2-CD1 4.29Å; L330-Y351 HydrophobicContact CD2-CG 4.19Å; P348-Y351 HydrophobicContact CB-CD2 3.97Å; P348-Y351 HydrophobicContact CG-CD2 4.29Å; P348-Y351 WeakPolarHBondContact O-CB 3.31Å; P348-Y351 PolarHBondContact O-N 2.98Å; L349-Y351 PolarHBondContact O-N 3.45Å
352L96.9Very high96.6Very high1 Ų130.8 Ų30.81%0.00517%0.167CC..BIsolated β-bridgetrans-88.6122.6-172.7-63.2177.7000112.6N293 L330 L334 T347 L349 F358 K359N293-L352 PolarHBondContact ND2-O 3.34Å; L330-L352 HydrophobicContact CD1-CD2 3.82Å; L330-L352 HydrophobicContact CD1-CG 4.37Å; L334-L352 HydrophobicContact CD2-CD2 3.69Å; L334-L352 HydrophobicContact CG-CD2 4.11Å; T347-L352 HydrophobicContact CG2-CD1 3.9Å; L349-L352 HydrophobicContact CD2-CD1 4.11Å; L349-L352 PolarHBondContact O-N 2.87Å; L352-F358 HydrophobicContact CD1-CE1 4.39Å; L352-K359 WeakPolarHBondContact O-CE 3.48Å; L352-K359 PolarHBondContact O-NZ 2.72Å
353N96.4Very high96.8Very high88 Ų8830.4 Ų30.447%0.47117%0.165SC..  trans-100.681169.1-1719.9000110.3G291 V292 N293G291-N353 PolarHBondContact O-N 2.86Å; V292-N353 WeakPolarHBondContact O-CB 3.49Å; N293-N353 HydrophobicContact CB-CB 4.45Å; N293-N353 WeakPolarHBondContact OD1-CA 3.33Å; N293-N353 VanDerWaalsContact OD1-CB 3.25Å; N293-N353 WeakPolarHBondContact OD1-CB 3.5Å
354N95.2Very high96.9Very high51 Ų5131.6 Ų31.627%0.27317%0.17SC..SBendtrans-148.7172.5178.1-150.7-37.2000109.5F358 K359N354-F358 HydrophobicContact CB-CB 3.95Å; N354-F358 HydrophobicContact CB-CD1 3.62Å; N354-F358 HydrophobicContact CB-CE1 4.34Å; N354-F358 HydrophobicContact CB-CG 3.88Å; N354-F358 VanDerWaalsContact CG-CG 3.43Å; N354-F358 WeakPolarHBondContact ND2-CD2 3.4Å; N354-F358 VanDerWaalsContact ND2-CG 3.32Å; N354-F358 WeakPolarHBondContact ND2-CG 3.3Å; N354-K359 WeakPolarHBondContact O-CE 3.43Å
355S96.4Very high97.1Very high60 Ų6030 Ų3042%0.4216%0.16SC..  trans-54.7152176.764.40000112.4Q357 F358 K359S355-Q357 PolarHBondContact O-N 3.21Å; S355-F358 WeakPolarHBondContact O-CB 3.4Å; S355-F358 PolarHBondContact O-N 3.37Å; S355-F358 WeakPolarHBondContact OG-CB 3.41Å; S355-F358 PolarHBondContact OG-N 3.35Å; S355-F358 VanDerWaalsContact OG-N 3.13Å; S355-K359 PolarHBondContact O-N 2.99Å
356D96.6Very high97.2Very high81 Ų8130 Ų3043%0.43316%0.16SC..Hα-helixtrans-61.8-30.6175.6-66.3-26.2000111.8K359 A360 Y417D356-K359 PolarHBondContact O-N 2.99Å; D356-A360 WeakPolarHBondContact O-CB 3.42Å; D356-A360 PolarHBondContact O-N 2.76Å; D356-Y417 HydrophobicContact CB-CD2 3.61Å; D356-Y417 HydrophobicContact CB-CE2 4.45Å; D356-Y417 HydrophobicContact CB-CG 4.06Å
357Q97.2Very high97.2Very high83 Ų8327.9 Ų27.939%0.38815%0.147SC..Hα-helixtrans-59.6-48170.1-172.5-177.86.800111.7L41 S355 K359 A360 E361 Y417L41-Q357 HydrophobicContact CD1-CG 4.35Å; S355-Q357 PolarHBondContact O-N 3.21Å; Q357-K359 PolarHBondContact O-N 2.69Å; Q357-A360 PolarHBondContact O-N 3.1Å; Q357-E361 WeakPolarHBondContact O-CB 3.19Å; Q357-E361 WeakPolarHBondContact O-CG 3.44Å; Q357-E361 PolarHBondContact O-N 3.33Å; Q357-Y417 HydrophobicContact CB-CD1 4.43Å; Q357-Y417 HydrophobicContact CB-CE1 3.78Å; Q357-Y417 HydrophobicContact CB-CE2 4.13Å; Q357-Y417 HydrophobicContact CG-CE1 3.85Å
358F97.3Very high97.2Very high4 Ų428.6 Ų28.62%0.01815%0.151CC..Hα-helixtrans-60.4-46.6177.5-176.4-86.4000111.4T39 L41 P44 S333 L352 N354 S355 A360 E361 S362T39-F358 HydrophobicContact CG2-CE2 4.46Å; L41-F358 HydrophobicContact CB-CD2 3.85Å; L41-F358 HydrophobicContact CB-CE2 4.23Å; L41-F358 HydrophobicContact CD1-CB 4.11Å; L41-F358 HydrophobicContact CD1-CD2 4.01Å; L41-F358 HydrophobicContact CD1-CG 4.46Å; P44-F358 HydrophobicContact CG-CZ 4.49Å; S333-F358 WeakPolarHBondContact O-CZ 3.47Å; L352-F358 HydrophobicContact CD1-CE1 4.39Å; N354-F358 HydrophobicContact CB-CB 3.95Å; N354-F358 HydrophobicContact CB-CD1 3.62Å; N354-F358 HydrophobicContact CB-CE1 4.34Å; N354-F358 HydrophobicContact CB-CG 3.88Å; N354-F358 VanDerWaalsContact CG-CG 3.43Å; N354-F358 WeakPolarHBondContact ND2-CD2 3.4Å; N354-F358 VanDerWaalsContact ND2-CG 3.32Å; N354-F358 WeakPolarHBondContact ND2-CG 3.3Å; S355-F358 WeakPolarHBondContact O-CB 3.4Å; S355-F358 PolarHBondContact O-N 3.37Å; S355-F358 WeakPolarHBondContact OG-CB 3.41Å; S355-F358 PolarHBondContact OG-N 3.35Å; S355-F358 VanDerWaalsContact OG-N 3.13Å; F358-A360 VanDerWaalsContact C-N 3.32Å; F358-A360 PolarHBondContact O-N 2.88Å; F358-E361 PolarHBondContact O-N 2.81Å; F358-S362 WeakPolarHBondContact CE1-OG 3.49Å; F358-S362 WeakPolarHBondContact O-CB 3.36Å; F358-S362 PolarHBondContact O-N 2.97Å; F358-S362 PolarHBondContact O-OG 2.92Å; F358-S362 VanDerWaalsContact O-OG 3.13Å
359K97.7Very high97.2Very high40 Ų4027.8 Ų27.817%0.17415%0.146CC..Hα-helixtrans-59.1-42.9177-68.9176.7-178.3170.80112.1L349 L352 N354 S355 D356 Q357 M363 I421L349-K359 HydrophobicContact CD1-CB 4.47Å; L349-K359 HydrophobicContact CD2-CB 4.03Å; L349-K359 HydrophobicContact CD2-CG 4.3Å; L352-K359 WeakPolarHBondContact O-CE 3.48Å; L352-K359 PolarHBondContact O-NZ 2.72Å; N354-K359 WeakPolarHBondContact O-CE 3.43Å; S355-K359 PolarHBondContact O-N 2.99Å; D356-K359 PolarHBondContact O-N 2.99Å; Q357-K359 PolarHBondContact O-N 2.69Å; K359-M363 WeakPolarHBondContact O-CB 3.18Å; K359-M363 PolarHBondContact O-N 3.13Å; K359-I421 HydrophobicContact CB-CD1 4.2Å
360A97.9Very high97.2Very high0 Ų026.4 Ų26.40%014%0.139CC..Hα-helixtrans-67.5-41.5177.800000112.7D356 Q357 F358 M363 Y364 I412 Y417 I421D356-A360 WeakPolarHBondContact O-CB 3.42Å; D356-A360 PolarHBondContact O-N 2.76Å; Q357-A360 PolarHBondContact O-N 3.1Å; F358-A360 VanDerWaalsContact C-N 3.32Å; F358-A360 PolarHBondContact O-N 2.88Å; A360-M363 PolarHBondContact O-N 3.46Å; A360-Y364 VanDerWaalsContact O-CB 3.32Å; A360-Y364 WeakPolarHBondContact O-CB 3.46Å; A360-Y364 PolarHBondContact O-N 3.34Å; A360-I412 HydrophobicContact CB-CG1 4.24Å; A360-Y417 HydrophobicContact CB-CD1 3.8Å; A360-Y417 HydrophobicContact CB-CG 4.26Å; A360-I421 HydrophobicContact CB-CD1 4.36Å; A360-I421 HydrophobicContact CB-CG1 4.08Å
361E97.7Very high97.2Very high19 Ų1922.7 Ų22.79%0.08912%0.119CC..Hα-helixtrans-67.8-39.9176.7-77.2-70.5174.400112.5T39 L41 Q357 F358 Y364 T365 R409 I412T39-E361 HydrophobicContact CG2-CB 3.98Å; L41-E361 HydrophobicContact CD1-CB 3.87Å; L41-E361 HydrophobicContact CD1-CG 3.88Å; L41-E361 HydrophobicContact CG-CG 4.47Å; Q357-E361 WeakPolarHBondContact O-CB 3.19Å; Q357-E361 WeakPolarHBondContact O-CG 3.44Å; Q357-E361 PolarHBondContact O-N 3.33Å; F358-E361 PolarHBondContact O-N 2.81Å; E361-Y364 PolarHBondContact O-N 2.79Å; E361-T365 WeakPolarHBondContact O-CB 3.45Å; E361-T365 PolarHBondContact O-N 3.36Å; E361-T365 PolarHBondContact O-OG1 3.16Å; E361-R409 VanDerWaalsContact CD-NH1 3.27Å; E361-R409 IonicContact OE1-NH1 3.1Å; E361-R409 PolarHBondContact OE1-NH1 3.17Å; E361-R409 VanDerWaalsContact OE1-NH1 3.1Å; E361-R409 IonicContact OE2-CZ 2.76Å; E361-R409 IonicContact OE2-NH1 2.69Å; E361-R409 PolarHBondContact OE2-NH1 3.46Å; E361-R409 IonicContact OE2-NH2 2.75Å; E361-I412 HydrophobicContact CG-CG2 4.44Å; E361-I412 WeakPolarHBondContact OE1-CG2 3.4Å
362S97.3Very high97.1Very high0 Ų024.3 Ų24.30%013%0.127CC..Hα-helixtrans-64.4-44.4173.8-63.30000111.6F358 Y364 T365 N366F358-S362 WeakPolarHBondContact CE1-OG 3.49Å; F358-S362 WeakPolarHBondContact O-CB 3.36Å; F358-S362 PolarHBondContact O-N 2.97Å; F358-S362 PolarHBondContact O-OG 2.92Å; F358-S362 VanDerWaalsContact O-OG 3.13Å; S362-Y364 PolarHBondContact O-N 2.82Å; S362-T365 WeakPolarHBondContact O-CB 3.34Å; S362-T365 PolarHBondContact O-N 2.95Å; S362-N366 WeakPolarHBondContact O-CB 3.44Å; S362-N366 PolarHBondContact O-N 3.35Å
363M97.9Very high97Very high0 Ų024.3 Ų24.30%013%0.127CC..Hα-helixtrans-65.6-37.7176.4-174.458.666.200112.1V346 T347 L349 K359 A360 N366 A367 I421 C424 Q425 I428V346-M363 HydrophobicContact CG1-CE 4.02Å; V346-M363 HydrophobicContact CG1-SD 4.29Å; T347-M363 WeakPolarHBondContact O-CE 3.21Å; L349-M363 HydrophobicContact CD1-CE 3.82Å; L349-M363 HydrophobicContact CD2-CE 4.11Å; L349-M363 HydrophobicContact CG-CE 3.77Å; K359-M363 WeakPolarHBondContact O-CB 3.18Å; K359-M363 PolarHBondContact O-N 3.13Å; A360-M363 PolarHBondContact O-N 3.46Å; M363-N366 PolarHBondContact O-N 3.08Å; M363-A367 WeakPolarHBondContact O-CB 3.46Å; M363-A367 PolarHBondContact O-N 3.04Å; M363-I421 HydrophobicContact CB-CG1 4.37Å; M363-I421 HydrophobicContact CG-CG2 4.31Å; M363-C424 HydrophobicContact CG-CB 3.63Å; M363-Q425 HydrophobicContact CE-CG 4.12Å; M363-Q425 HydrophobicContact CG-CG 4.42Å; M363-Q425 HydrophobicContact SD-CG 3.88Å; M363-I428 HydrophobicContact SD-CD1 3.71Å
364Y98.1Very high97Very high25 Ų2520.1 Ų20.110%0.09810%0.104CC..Hα-helixtrans-62.2-46.5172.3-179.8-82.9000111.4A360 E361 S362 N366 A367 I368 A408 R409 I412A360-Y364 VanDerWaalsContact O-CB 3.32Å; A360-Y364 WeakPolarHBondContact O-CB 3.46Å; A360-Y364 PolarHBondContact O-N 3.34Å; E361-Y364 PolarHBondContact O-N 2.79Å; S362-Y364 PolarHBondContact O-N 2.82Å; Y364-N366 VanDerWaalsContact C-N 3.33Å; Y364-N366 PolarHBondContact O-N 3.33Å; Y364-A367 PolarHBondContact O-N 3.49Å; Y364-A367 VanDerWaalsContact O-N 3.16Å; Y364-I368 HydrophobicContact CD1-CG1 3.87Å; Y364-I368 HydrophobicContact CE1-CD1 3.93Å; Y364-I368 HydrophobicContact CE1-CG1 3.3Å; Y364-I368 HydrophobicContact CE2-CD1 4.27Å; Y364-I368 HydrophobicContact CE2-CG1 4.42Å; Y364-I368 WeakPolarHBondContact O-CG1 3.27Å; Y364-I368 PolarHBondContact O-N 2.93Å; Y364-A408 HydrophobicContact CD2-CB 3.75Å; Y364-A408 HydrophobicContact CE2-CB 3.82Å; Y364-R409 VanDerWaalsContact CD1-NH2 3.31Å; Y364-R409 HydrophobicContact CE2-CG 3.69Å; Y364-R409 WeakPolarHBondContact OH-CG 3.3Å; Y364-R409 PolarHBondContact OH-NE 3.3Å; Y364-I412 HydrophobicContact CD2-CD1 4.15Å; Y364-I412 HydrophobicContact CG-CD1 4.17Å
365T97.4Very high97Very high6 Ų620.1 Ų20.14%0.03710%0.102CC..Hα-helixtrans-58.4-46.1177.6-57.30000111Q37 T39 I339 E361 S362 A367 I368 Q369Q37-T365 HydrophobicContact CB-CG2 3.79Å; Q37-T365 WeakPolarHBondContact O-CG2 3.04Å; T39-T365 PolarHBondContact OG1-OG1 2.85Å; I339-T365 HydrophobicContact CD1-CG2 4.36Å; E361-T365 WeakPolarHBondContact O-CB 3.45Å; E361-T365 PolarHBondContact O-N 3.36Å; E361-T365 PolarHBondContact O-OG1 3.16Å; S362-T365 WeakPolarHBondContact O-CB 3.34Å; S362-T365 PolarHBondContact O-N 2.95Å; T365-A367 PolarHBondContact O-N 3.3Å; T365-I368 PolarHBondContact O-N 3.41Å; T365-Q369 PolarHBondContact O-N 3.3Å
366N97.9Very high97Very high0 Ų019.4 Ų19.40%09%0.092CC..Hα-helixtrans-59.7-44.5175-176.6-161.8000112I339 G345 V346 T347 S362 M363 Y364 I368 Q369 V370 I428I339-N366 HydrophobicContact CD1-CB 3.63Å; G345-N366 PolarHBondContact O-ND2 3.08Å; G345-N366 PolarHBondContact O-OD1 3.48Å; V346-N366 VanDerWaalsContact CA-OD1 3.3Å; V346-N366 WeakPolarHBondContact CA-OD1 3.33Å; T347-N366 PolarHBondContact N-OD1 3.49Å; T347-N366 PolarHBondContact OG1-OD1 3.21Å; S362-N366 WeakPolarHBondContact O-CB 3.44Å; S362-N366 PolarHBondContact O-N 3.35Å; M363-N366 PolarHBondContact O-N 3.08Å; Y364-N366 VanDerWaalsContact C-N 3.33Å; Y364-N366 PolarHBondContact O-N 3.33Å; N366-I368 PolarHBondContact O-N 3.14Å; N366-Q369 PolarHBondContact O-N 2.8Å; N366-V370 WeakPolarHBondContact O-CG2 3.14Å; N366-V370 PolarHBondContact O-N 3.44Å; N366-V370 VanDerWaalsContact O-N 3.09Å; N366-I428 HydrophobicContact CB-CD1 4.4Å
367A98Very high96.8Very high0 Ų017.3 Ų17.30%08%0.079CC..Hα-helixtrans-63.6-38.5177.600000113.4M363 Y364 T365 L371 C424 L427 I428M363-A367 WeakPolarHBondContact O-CB 3.46Å; M363-A367 PolarHBondContact O-N 3.04Å; Y364-A367 PolarHBondContact O-N 3.49Å; Y364-A367 VanDerWaalsContact O-N 3.16Å; T365-A367 PolarHBondContact O-N 3.3Å; A367-L371 WeakPolarHBondContact O-CB 3.43Å; A367-L371 PolarHBondContact O-N 3.41Å; A367-C424 HydrophobicContact CB-CB 3.86Å; A367-L427 HydrophobicContact CB-CD2 4.14Å; A367-L427 HydrophobicContact CB-CG 4.49Å; A367-I428 HydrophobicContact CB-CD1 4.1Å; A367-I428 HydrophobicContact CB-CG1 3.74Å
368I97.5Very high96.8Very high17 Ų1713.7 Ų13.79%0.0876%0.063CC..Hα-helixtrans-67.4-43.2173.9-61.2-52.1000111Q37 Y364 T365 N366 V370 L371 E372 T405Q37-I368 HydrophobicContact CG-CB 4.45Å; Q37-I368 HydrophobicContact CG-CG2 3.92Å; Y364-I368 HydrophobicContact CD1-CG1 3.87Å; Y364-I368 HydrophobicContact CE1-CD1 3.93Å; Y364-I368 HydrophobicContact CE1-CG1 3.3Å; Y364-I368 HydrophobicContact CE2-CD1 4.27Å; Y364-I368 HydrophobicContact CE2-CG1 4.42Å; Y364-I368 WeakPolarHBondContact O-CG1 3.27Å; Y364-I368 PolarHBondContact O-N 2.93Å; T365-I368 PolarHBondContact O-N 3.41Å; N366-I368 PolarHBondContact O-N 3.14Å; I368-V370 VanDerWaalsContact C-N 3.33Å; I368-V370 PolarHBondContact O-N 3.26Å; I368-L371 HydrophobicContact CD1-CD2 4.39Å; I368-L371 PolarHBondContact O-N 3.28Å; I368-L371 VanDerWaalsContact O-N 3.15Å; I368-E372 HydrophobicContact CG2-CG 4.23Å; I368-E372 WeakPolarHBondContact O-CG 3.44Å; I368-E372 PolarHBondContact O-N 3.14Å; I368-T405 HydrophobicContact CD1-CG2 3.48Å; I368-T405 VanDerWaalsContact CD1-CG2 3.48Å
369Q96.4Very high96.6Very high0 Ų016.7 Ų16.70%08%0.078CC..Hα-helixtrans-58.4-44.9179.4-171.758.859.700112Q37 I339 V341 T365 N366 E372 Q373Q37-Q369 HydrophobicContact CB-CB 4.46Å; Q37-Q369 HydrophobicContact CG-CB 4.48Å; I339-Q369 HydrophobicContact CB-CG 4.19Å; I339-Q369 HydrophobicContact CG2-CG 4.15Å; V341-Q369 VanDerWaalsContact CA-NE2 3.32Å; V341-Q369 PolarHBondContact O-NE2 3.06Å; T365-Q369 PolarHBondContact O-N 3.3Å; N366-Q369 PolarHBondContact O-N 2.8Å; Q369-E372 PolarHBondContact O-N 3.46Å; Q369-Q373 PolarHBondContact O-N 3.47Å
370V96.9Very high96.3Very high1 Ų118.5 Ų18.51%0.0069%0.087CC..Hα-helixtrans-69.2-38.1176.31800000111.4N366 I368 E372 Q373 F374 I428 L432N366-V370 WeakPolarHBondContact O-CG2 3.14Å; N366-V370 PolarHBondContact O-N 3.44Å; N366-V370 VanDerWaalsContact O-N 3.09Å; I368-V370 VanDerWaalsContact C-N 3.33Å; I368-V370 PolarHBondContact O-N 3.26Å; V370-E372 VanDerWaalsContact C-N 3.31Å; V370-E372 PolarHBondContact O-N 2.86Å; V370-Q373 WeakPolarHBondContact O-CB 3.33Å; V370-Q373 PolarHBondContact O-N 2.89Å; V370-F374 PolarHBondContact O-N 3.32Å; V370-I428 HydrophobicContact CG1-CG2 4.44Å; V370-I428 HydrophobicContact CG2-CG2 4.41Å; V370-L432 HydrophobicContact CG1-CD2 3.61Å; V370-L432 HydrophobicContact CG1-CG 3.84Å
371L97.2Very high96Very high0 Ų019.4 Ų19.40%09%0.091CC..Hα-helixtrans-63.6-36176.2175.563.9000112.2A367 I368 F374 K375 L396 Q401 T405 L427A367-L371 WeakPolarHBondContact O-CB 3.43Å; A367-L371 PolarHBondContact O-N 3.41Å; I368-L371 HydrophobicContact CD1-CD2 4.39Å; I368-L371 PolarHBondContact O-N 3.28Å; I368-L371 VanDerWaalsContact O-N 3.15Å; L371-F374 HydrophobicContact CD1-CD1 3.86Å; L371-F374 WeakPolarHBondContact O-CB 3.35Å; L371-F374 PolarHBondContact O-N 2.91Å; L371-K375 HydrophobicContact CD1-CG 4.39Å; L371-K375 HydrophobicContact CG-CD 4.33Å; L371-K375 HydrophobicContact CG-CG 4.45Å; L371-K375 WeakPolarHBondContact O-CG 3.36Å; L371-K375 PolarHBondContact O-N 3.25Å; L371-L396 HydrophobicContact CD1-CD2 4.02Å; L371-Q401 HydrophobicContact CD1-CB 4.46Å; L371-Q401 HydrophobicContact CD1-CG 3.96Å; L371-T405 HydrophobicContact CD2-CG2 3.55Å; L371-L427 HydrophobicContact CD1-CD1 4.36Å; L371-L427 HydrophobicContact CD2-CD2 4.28Å
372E95.5Very high95.8Very high35 Ų3522.8 Ų22.816%0.16411%0.106CC..Hα-helixtrans-66-36.5176.4-71.2-54.9130.100111.9M34 I368 Q369 V370 F374 K375 M376M34-E372 HydrophobicContact CG-CB 4.28Å; I368-E372 HydrophobicContact CG2-CG 4.23Å; I368-E372 WeakPolarHBondContact O-CG 3.44Å; I368-E372 PolarHBondContact O-N 3.14Å; Q369-E372 PolarHBondContact O-N 3.46Å; V370-E372 VanDerWaalsContact C-N 3.31Å; V370-E372 PolarHBondContact O-N 2.86Å; E372-F374 PolarHBondContact O-N 3.13Å; E372-K375 PolarHBondContact O-N 3.35Å; E372-K375 WeakPolarHBondContact OE1-CD 3.31Å; E372-K375 IonicContact OE1-NZ 2.82Å; E372-K375 PolarHBondContact OE1-NZ 3.05Å; E372-M376 WeakPolarHBondContact O-CB 3.46Å; E372-M376 WeakPolarHBondContact O-CG 3.37Å; E372-M376 PolarHBondContact O-N 3.34Å
373Q95.1Very high95.6Very high1 Ų130.2 Ų30.21%0.00514%0.14CC..Hα-helixtrans-56.7-50.7170-68.5170.74500110.9M34 V341 S343 Q369 V370 K375 M376 K377 L435M34-Q373 HydrophobicContact CE-CG 4.06Å; M34-Q373 WeakPolarHBondContact SD-CA 3.39Å; M34-Q373 HydrophobicContact SD-CB 3.81Å; M34-Q373 HydrophobicContact SD-CG 3.12Å; M34-Q373 WeakPolarHBondContact SD-CG 3.38Å; V341-Q373 VanDerWaalsContact O-CG 3.28Å; V341-Q373 WeakPolarHBondContact O-CG 3.47Å; V341-Q373 PolarHBondContact O-NE2 3.23Å; S343-Q373 PolarHBondContact O-NE2 2.93Å; Q369-Q373 PolarHBondContact O-N 3.47Å; V370-Q373 WeakPolarHBondContact O-CB 3.33Å; V370-Q373 PolarHBondContact O-N 2.89Å; Q373-K375 PolarHBondContact O-N 3.33Å; Q373-M376 PolarHBondContact O-N 3.24Å; Q373-K377 WeakPolarHBondContact O-CB 3.47Å; Q373-K377 PolarHBondContact O-N 2.86Å; Q373-L435 HydrophobicContact CB-CD1 4.43Å; Q373-L435 HydrophobicContact CB-CD2 4.19Å
374F96.1Very high95.2Very high0 Ų032.8 Ų32.80%016%0.156CC..Hα-helixtrans-58.6-46.2178.2167.5-100.5000112.4V370 L371 E372 K377 M378 F393 L396 Q401 G434 Y438V370-F374 PolarHBondContact O-N 3.32Å; L371-F374 HydrophobicContact CD1-CD1 3.86Å; L371-F374 WeakPolarHBondContact O-CB 3.35Å; L371-F374 PolarHBondContact O-N 2.91Å; E372-F374 PolarHBondContact O-N 3.13Å; F374-K377 PolarHBondContact O-N 3.44Å; F374-M378 HydrophobicContact CD1-CE 4Å; F374-M378 HydrophobicContact CE1-CE 3.13Å; F374-M378 HydrophobicContact CE2-CE 4.09Å; F374-M378 HydrophobicContact CZ-CE 3.19Å; F374-M378 WeakPolarHBondContact O-CB 3.24Å; F374-M378 PolarHBondContact O-N 3.13Å; F374-F393 HydrophobicContact CE2-CB 4.26Å; F374-F393 HydrophobicContact CE2-CD1 4.07Å; F374-F393 HydrophobicContact CE2-CG 4.49Å; F374-F393 HydrophobicContact CZ-CB 4.28Å; F374-F393 HydrophobicContact CZ-CD1 4.16Å; F374-L396 HydrophobicContact CD1-CD2 3.81Å; F374-L396 HydrophobicContact CD1-CG 4.42Å; F374-L396 HydrophobicContact CE1-CB 4.04Å; F374-L396 HydrophobicContact CE1-CD2 3.56Å; F374-L396 HydrophobicContact CE1-CG 3.74Å; F374-L396 WeakPolarHBondContact CE1-O 3.47Å; F374-L396 HydrophobicContact CE2-CD2 4.47Å; F374-L396 HydrophobicContact CG-CD2 4.32Å; F374-L396 HydrophobicContact CZ-CB 3.85Å; F374-L396 HydrophobicContact CZ-CD2 3.93Å; F374-L396 HydrophobicContact CZ-CG 4.08Å; F374-Q401 HydrophobicContact CE1-CG 4.35Å; F374-G434 VanDerWaalsContact CD2-C 3.42Å; F374-G434 VanDerWaalsContact CE2-CA 3.46Å; F374-Y438 HydrophobicContact CD2-CD2 4.1Å; F374-Y438 HydrophobicContact CD2-CE2 4.05Å; F374-Y438 AromaticContact CE2-CD2 3.83Å; F374-Y438 HydrophobicContact CE2-CD2 3.83Å; F374-Y438 AromaticContact CE2-CE2 3.37Å; F374-Y438 HydrophobicContact CE2-CE2 3.37Å; F374-Y438 AromaticContact CZ-CE2 3.84Å; F374-Y438 HydrophobicContact CZ-CE2 3.84Å
375K95.8Very high94.8Very high51 Ų5132.1 Ų32.122%0.22216%0.155CC..Hα-helixtrans-62.3-48.6178.7-76.4174.6-177.4169.80112L371 E372 Q373 K377 M378 I379 Q401L371-K375 HydrophobicContact CD1-CG 4.39Å; L371-K375 HydrophobicContact CG-CD 4.33Å; L371-K375 HydrophobicContact CG-CG 4.45Å; L371-K375 WeakPolarHBondContact O-CG 3.36Å; L371-K375 PolarHBondContact O-N 3.25Å; E372-K375 PolarHBondContact O-N 3.35Å; E372-K375 WeakPolarHBondContact OE1-CD 3.31Å; E372-K375 IonicContact OE1-NZ 2.82Å; E372-K375 PolarHBondContact OE1-NZ 3.05Å; Q373-K375 PolarHBondContact O-N 3.33Å; K375-K377 VanDerWaalsContact C-N 3.32Å; K375-K377 PolarHBondContact O-N 3.2Å; K375-M378 WeakPolarHBondContact O-CB 3.41Å; K375-M378 PolarHBondContact O-N 2.92Å; K375-I379 VanDerWaalsContact O-CG1 3.3Å; K375-I379 WeakPolarHBondContact O-CG1 3.44Å; K375-I379 PolarHBondContact O-N 3.35Å; K375-Q401 VanDerWaalsContact CE-OE1 3.22Å; K375-Q401 VanDerWaalsContact CG-OE1 3.28Å
376M94.9Very high94.5Very high44 Ų4433.7 Ų33.722%0.21716%0.163CC..Hα-helixtrans-60.4-44.3179.4-73.9-55.4108.300110.9V31 M34 E372 Q373 M378 I379 Q380V31-M376 HydrophobicContact CG1-CB 3.53Å; M34-M376 HydrophobicContact CG-CB 4.31Å; M34-M376 HydrophobicContact CG-CG 3.67Å; E372-M376 WeakPolarHBondContact O-CB 3.46Å; E372-M376 WeakPolarHBondContact O-CG 3.37Å; E372-M376 PolarHBondContact O-N 3.34Å; Q373-M376 PolarHBondContact O-N 3.24Å; M376-M378 PolarHBondContact O-N 3.22Å; M376-I379 HydrophobicContact CE-CD1 3.87Å; M376-I379 PolarHBondContact O-N 2.83Å; M376-Q380 VanDerWaalsContact O-CG 3.27Å; M376-Q380 WeakPolarHBondContact O-CG 3.3Å; M376-Q380 PolarHBondContact O-N 3.34Å
377K93.9Very high94.1Very high38 Ų3839.2 Ų39.217%0.16520%0.198CC..Hα-helixtrans-64.7-40.9177.2-166.569.3175.3-173.20112.6V31 Q373 F374 K375 K381 L435 H439V31-K377 HydrophobicContact CG2-CB 4.33Å; V31-K377 HydrophobicContact CG2-CD 4.24Å; Q373-K377 WeakPolarHBondContact O-CB 3.47Å; Q373-K377 PolarHBondContact O-N 2.86Å; F374-K377 PolarHBondContact O-N 3.44Å; K375-K377 VanDerWaalsContact C-N 3.32Å; K375-K377 PolarHBondContact O-N 3.2Å; K377-K381 WeakPolarHBondContact O-CB 3.33Å; K377-K381 PolarHBondContact O-N 2.83Å; K377-L435 HydrophobicContact CB-CD1 3.74Å; K377-L435 HydrophobicContact CG-CD1 4.04Å; K377-H439 WeakPolarHBondContact CE-ND1 3.32Å; K377-H439 PolarHBondContact NZ-CE1 3.25Å; K377-H439 PolarHBondContact NZ-ND1 3.09Å
378M95.3Very high93.7Very high7 Ų746.9 Ų46.93%0.03423%0.232CC..Hα-helixtrans-58.3-49173.9180-173.2-45.100111.4F374 K375 M376 K381 K382 F390 E398 Q401 Y438F374-M378 HydrophobicContact CD1-CE 4Å; F374-M378 HydrophobicContact CE1-CE 3.13Å; F374-M378 HydrophobicContact CE2-CE 4.09Å; F374-M378 HydrophobicContact CZ-CE 3.19Å; F374-M378 WeakPolarHBondContact O-CB 3.24Å; F374-M378 PolarHBondContact O-N 3.13Å; K375-M378 WeakPolarHBondContact O-CB 3.41Å; K375-M378 PolarHBondContact O-N 2.92Å; M376-M378 PolarHBondContact O-N 3.22Å; M378-K381 PolarHBondContact O-N 2.76Å; M378-K382 VanDerWaalsContact O-CB 3.28Å; M378-K382 WeakPolarHBondContact O-CB 3.19Å; M378-K382 PolarHBondContact O-N 2.92Å; M378-F390 HydrophobicContact CG-CZ 4.1Å; M378-E398 HydrophobicContact SD-CG 4.5Å; M378-Q401 VanDerWaalsContact CE-NE2 3.29Å; M378-Y438 HydrophobicContact CB-CD2 4.03Å; M378-Y438 HydrophobicContact CB-CE2 3.55Å; M378-Y438 HydrophobicContact CE-CE2 3.86Å; M378-Y438 HydrophobicContact CG-CE1 4.23Å; M378-Y438 HydrophobicContact CG-CE2 3.8Å; M378-Y438 WeakPolarHBondContact CG-OH 3.3Å
379I93.9Very high93.4Very high67 Ų6749.6 Ų49.634%0.34425%0.246SC..Hα-helixtrans-62.1-49.9-178.3-69.8165000110.1K375 M376 K381 K382 E383K375-I379 VanDerWaalsContact O-CG1 3.3Å; K375-I379 WeakPolarHBondContact O-CG1 3.44Å; K375-I379 PolarHBondContact O-N 3.35Å; M376-I379 HydrophobicContact CE-CD1 3.87Å; M376-I379 PolarHBondContact O-N 2.83Å; I379-K381 PolarHBondContact O-N 3.44Å; I379-K382 PolarHBondContact O-N 3.27Å; I379-K382 VanDerWaalsContact O-N 3.11Å; I379-E383 HydrophobicContact CG2-CG 4.29Å; I379-E383 WeakPolarHBondContact O-CG 3.28Å; I379-E383 PolarHBondContact O-N 2.96Å
380Q91.3Very high93.3Very high78 Ų7851.1 Ų51.136%0.36425%0.253SS..Hα-helixtrans-52.8-42.3175.8-72.5172.97.500111.6M376 T384M376-Q380 VanDerWaalsContact O-CG 3.27Å; M376-Q380 WeakPolarHBondContact O-CG 3.3Å; M376-Q380 PolarHBondContact O-N 3.34Å; Q380-T384 WeakPolarHBondContact O-CG2 3.28Å; Q380-T384 PolarHBondContact O-N 3.26Å; Q380-T384 PolarHBondContact O-OG1 3.37Å
381K92.4Very high93.2Very high18 Ų1854.4 Ų54.48%0.07827%0.273CS..Hα-helixtrans-74.3-37.8-179.7-16954.1-176.8165.30113.1K377 M378 I379 E383 T384 T385 F390 Y438 Y441 D442K377-K381 WeakPolarHBondContact O-CB 3.33Å; K377-K381 PolarHBondContact O-N 2.83Å; M378-K381 PolarHBondContact O-N 2.76Å; I379-K381 PolarHBondContact O-N 3.44Å; K381-E383 VanDerWaalsContact C-N 3.35Å; K381-T384 PolarHBondContact O-N 2.75Å; K381-T384 PolarHBondContact O-OG1 2.95Å; K381-T385 WeakPolarHBondContact CE-OG1 3.35Å; K381-T385 VanDerWaalsContact O-CB 3.27Å; K381-T385 WeakPolarHBondContact O-CB 3.48Å; K381-T385 PolarHBondContact O-N 3.28Å; K381-T385 VanDerWaalsContact O-N 3.1Å; K381-T385 PolarHBondContact O-OG1 3.1Å; K381-F390 HydrophobicContact CB-CE2 4.49Å; K381-F390 HydrophobicContact CG-CE2 4.42Å; K381-Y438 HydrophobicContact CB-CD1 4.25Å; K381-Y438 HydrophobicContact CG-CD1 4.34Å; K381-Y441 HydrophobicContact CD-CD1 4.14Å; K381-Y441 HydrophobicContact CD-CG 4.24Å; K381-Y441 HydrophobicContact CG-CD1 4.15Å; K381-Y441 HydrophobicContact CG-CD2 4.19Å; K381-Y441 HydrophobicContact CG-CG 3.93Å; K381-D442 WeakPolarHBondContact CE-OD1 3.47Å; K381-D442 WeakPolarHBondContact CE-OD2 3.27Å; K381-D442 IonicContact NZ-OD1 3.74Å; K381-D442 PolarHBondContact NZ-OD1 3.48Å; K381-D442 IonicContact NZ-OD2 2.95Å; K381-D442 PolarHBondContact NZ-OD2 2.67Å
382K93.6Very high93.1Very high91 Ų9156.5 Ų56.540%0.39629%0.287SS..Hα-helixtrans-63.3-39.4176.3-170.9179.4-175.5-177.10111.7M378 I379 F390 E398M378-K382 VanDerWaalsContact O-CB 3.28Å; M378-K382 WeakPolarHBondContact O-CB 3.19Å; M378-K382 PolarHBondContact O-N 2.92Å; I379-K382 PolarHBondContact O-N 3.27Å; I379-K382 VanDerWaalsContact O-N 3.11Å; K382-F390 HydrophobicContact CB-CD1 4.47Å; K382-F390 HydrophobicContact CB-CD2 4.15Å; K382-F390 HydrophobicContact CB-CE1 4.16Å; K382-F390 HydrophobicContact CB-CE2 3.81Å; K382-F390 HydrophobicContact CB-CG 4.46Å; K382-F390 HydrophobicContact CB-CZ 3.82Å; K382-F390 HydrophobicContact CD-CE1 4.14Å; K382-F390 HydrophobicContact CD-CZ 4.45Å; K382-F390 HydrophobicContact CG-CD1 4Å; K382-F390 HydrophobicContact CG-CD2 4.45Å; K382-F390 HydrophobicContact CG-CE1 3.9Å; K382-F390 HydrophobicContact CG-CE2 4.37Å; K382-F390 HydrophobicContact CG-CG 4.27Å; K382-F390 HydrophobicContact CG-CZ 4.09Å; K382-E398 IonicContact NZ-OE1 3.19Å; K382-E398 PolarHBondContact NZ-OE1 2.98Å
383E92.1Very high93.2Very high155 Ų15556.2 Ų56.272%0.72429%0.285SS*.Hα-helixtrans-72.7-29.5179.9-72.1-178.9170.500113.8I379 K381I379-E383 HydrophobicContact CG2-CG 4.29Å; I379-E383 WeakPolarHBondContact O-CG 3.28Å; I379-E383 PolarHBondContact O-N 2.96Å; K381-E383 VanDerWaalsContact C-N 3.35Å
384T89.7Confident93.2Very high55 Ų5561.7 Ų61.734%0.33731%0.311SS..Hα-helixtrans-91.5-12.1179.751.40000113.3Q380 K381 Q505Q380-T384 WeakPolarHBondContact O-CG2 3.28Å; Q380-T384 PolarHBondContact O-N 3.26Å; Q380-T384 PolarHBondContact O-OG1 3.37Å; K381-T384 PolarHBondContact O-N 2.75Å; K381-T384 PolarHBondContact O-OG1 2.95Å; T384-Q505 WeakPolarHBondContact O-CA 3.29Å; T384-Q505 VanDerWaalsContact O-CB 3.27Å; T384-Q505 WeakPolarHBondContact O-CB 3.42Å; T384-Q505 VanDerWaalsContact O-O 3.05Å
385T90.9Very high93.2Very high11 Ų1166 Ų667%0.06733%0.333CS..SBendtrans-102.3140.4-179.4-51.90000110.5K381 L389 F390K381-T385 WeakPolarHBondContact CE-OG1 3.35Å; K381-T385 VanDerWaalsContact O-CB 3.27Å; K381-T385 WeakPolarHBondContact O-CB 3.48Å; K381-T385 PolarHBondContact O-N 3.28Å; K381-T385 VanDerWaalsContact O-N 3.1Å; K381-T385 PolarHBondContact O-OG1 3.1Å; T385-L389 HydrophobicContact CG2-CB 4.02Å; T385-F390 HydrophobicContact CG2-CB 4.07Å
386L89.9Confident93.3Very high39 Ų3963.5 Ų63.520%0.20432%0.322CS..  trans-58.1135.4172.8-75.5170.3000110.4F388 L389 F390 F501 I504 Q505L386-F388 HydrophobicContact CB-CD1 4.08Å; L386-F388 HydrophobicContact CB-CE1 3.72Å; L386-F388 HydrophobicContact CB-CZ 4.23Å; L386-F388 HydrophobicContact CD1-CE1 3.78Å; L386-F388 HydrophobicContact CD1-CZ 3.81Å; L386-F388 HydrophobicContact CD2-CE1 4.4Å; L386-F388 HydrophobicContact CG-CE1 4.18Å; L386-F388 PolarHBondContact O-N 3.04Å; L386-L389 HydrophobicContact CB-CB 4.47Å; L386-L389 HydrophobicContact CB-CD1 4.24Å; L386-L389 HydrophobicContact CB-CG 4.37Å; L386-L389 HydrophobicContact CD1-CD1 4.24Å; L386-L389 PolarHBondContact O-N 2.85Å; L386-F390 PolarHBondContact O-N 3.33Å; L386-F390 VanDerWaalsContact O-N 3.15Å; L386-F501 HydrophobicContact CD1-CD2 4.36Å; L386-F501 HydrophobicContact CD1-CE2 4.13Å; L386-I504 HydrophobicContact CD2-CG2 3.64Å; L386-I504 HydrophobicContact CG-CG2 4.38Å; L386-Q505 HydrophobicContact CG-CG 4.22Å
387P89.6Confident93.3Very high115 Ų11562.8 Ų62.875%0.74732%0.32SS*.THydrogen-bonded Turntrans-54.9-33.4-171.5-30.335.1000115.2L389P387-L389 VanDerWaalsContact C-N 3.34Å
388F90.5Very high93.3Very high162 Ų16266.3 Ų66.371%0.71134%0.337SS*.THydrogen-bonded Turntrans-80.8-10.4179.268.7-90.2000114.3L386L386-F388 HydrophobicContact CB-CD1 4.08Å; L386-F388 HydrophobicContact CB-CE1 3.72Å; L386-F388 HydrophobicContact CB-CZ 4.23Å; L386-F388 HydrophobicContact CD1-CE1 3.78Å; L386-F388 HydrophobicContact CD1-CZ 3.81Å; L386-F388 HydrophobicContact CD2-CE1 4.4Å; L386-F388 HydrophobicContact CG-CE1 4.18Å; L386-F388 PolarHBondContact O-N 3.04Å
389L91Very high93.3Very high74 Ų7470 Ų7039%0.38736%0.364SS..THydrogen-bonded Turntrans-104.7-11.9175.9-63.6178.5000112.6T385 L386 P387 T391 Y441 F501T385-L389 HydrophobicContact CG2-CB 4.02Å; L386-L389 HydrophobicContact CB-CB 4.47Å; L386-L389 HydrophobicContact CB-CD1 4.24Å; L386-L389 HydrophobicContact CB-CG 4.37Å; L386-L389 HydrophobicContact CD1-CD1 4.24Å; L386-L389 PolarHBondContact O-N 2.85Å; P387-L389 VanDerWaalsContact C-N 3.34Å; L389-T391 PolarHBondContact O-N 3.2Å; L389-Y441 PolarHBondContact O-OH 3.29Å; L389-F501 HydrophobicContact CD1-CE2 3.97Å; L389-F501 HydrophobicContact CD1-CZ 4.28Å
390F94.3Very high93.4Very high31 Ų3170.2 Ų70.214%0.13636%0.362CS..  trans-75.7124.4178.8-179.4-101.9000111M378 K381 K382 T385 L386 P392 Y438 Y441M378-F390 HydrophobicContact CG-CZ 4.1Å; K381-F390 HydrophobicContact CB-CE2 4.49Å; K381-F390 HydrophobicContact CG-CE2 4.42Å; K382-F390 HydrophobicContact CB-CD1 4.47Å; K382-F390 HydrophobicContact CB-CD2 4.15Å; K382-F390 HydrophobicContact CB-CE1 4.16Å; K382-F390 HydrophobicContact CB-CE2 3.81Å; K382-F390 HydrophobicContact CB-CG 4.46Å; K382-F390 HydrophobicContact CB-CZ 3.82Å; K382-F390 HydrophobicContact CD-CE1 4.14Å; K382-F390 HydrophobicContact CD-CZ 4.45Å; K382-F390 HydrophobicContact CG-CD1 4Å; K382-F390 HydrophobicContact CG-CD2 4.45Å; K382-F390 HydrophobicContact CG-CE1 3.9Å; K382-F390 HydrophobicContact CG-CE2 4.37Å; K382-F390 HydrophobicContact CG-CG 4.27Å; K382-F390 HydrophobicContact CG-CZ 4.09Å; T385-F390 HydrophobicContact CG2-CB 4.07Å; L386-F390 PolarHBondContact O-N 3.33Å; L386-F390 VanDerWaalsContact O-N 3.15Å; F390-P392 HydrophobicContact CE1-CB 3.99Å; F390-P392 HydrophobicContact CZ-CB 4.47Å; F390-Y438 AromaticContact CE2-CE1 4Å; F390-Y438 HydrophobicContact CE2-CE1 4Å; F390-Y438 HydrophobicContact CZ-CE1 4.01Å; F390-Y441 WeakPolarHBondContact CA-OH 3.34Å
391T94.6Very high93.6Very high71 Ų7167.1 Ų67.144%0.43635%0.348SS..  trans-118.9110.5179-56.50000108.6L389 Y437 Y441L389-T391 PolarHBondContact O-N 3.2Å; T391-Y437 PolarHBondContact O-OH 3.5Å; T391-Y441 PolarHBondContact N-OH 3.47Å; T391-Y441 WeakPolarHBondContact O-CE2 3.19Å
392P95Very high93.8Very high44 Ų4468.9 Ų68.929%0.28637%0.366SS..  trans-72153.9179.929.4-33.7000111.4F390 Q394 Y438F390-P392 HydrophobicContact CE1-CB 3.99Å; F390-P392 HydrophobicContact CZ-CB 4.47Å; P392-Q394 PolarHBondContact O-N 2.75Å; P392-Q394 VanDerWaalsContact O-N 3.1Å; P392-Q394 PolarHBondContact O-NE2 3.26Å; P392-Q394 VanDerWaalsContact O-NE2 3.15Å; P392-Y438 WeakPolarHBondContact CA-OH 3Å
393F96.8Very high93.9Very high28 Ų2870 Ų7012%0.12337%0.373CS..  trans-65.4106.9170.5-174.4-117.9000110.7F374 L395 L396 T397 E433 Y437 Y438F374-F393 HydrophobicContact CE2-CB 4.26Å; F374-F393 HydrophobicContact CE2-CD1 4.07Å; F374-F393 HydrophobicContact CE2-CG 4.49Å; F374-F393 HydrophobicContact CZ-CB 4.28Å; F374-F393 HydrophobicContact CZ-CD1 4.16Å; F393-L395 VanDerWaalsContact C-N 3.26Å; F393-L395 HydrophobicContact CD1-CB 4.27Å; F393-L395 HydrophobicContact CE1-CB 3.7Å; F393-L395 HydrophobicContact CE1-CD1 4.46Å; F393-L395 HydrophobicContact CE1-CG 4.46Å; F393-L395 HydrophobicContact CE2-CD1 4.48Å; F393-L395 HydrophobicContact CZ-CB 3.93Å; F393-L395 HydrophobicContact CZ-CD1 3.88Å; F393-L395 HydrophobicContact CZ-CG 4.19Å; F393-L395 PolarHBondContact O-N 3.3Å; F393-L396 HydrophobicContact CD1-CB 3.87Å; F393-L396 HydrophobicContact CE1-CB 4.23Å; F393-L396 CarbonylContact O-C 3.52Å; F393-L396 PolarHBondContact O-N 3.5Å; F393-L396 VanDerWaalsContact O-N 3.15Å; F393-T397 PolarHBondContact O-N 3.36Å; F393-E433 HydrophobicContact CZ-CB 4.15Å; F393-Y437 HydrophobicContact CB-CD1 3.87Å; F393-Y437 HydrophobicContact CB-CE1 4.17Å; F393-Y437 HydrophobicContact CB-CG 4.44Å; F393-Y437 HydrophobicContact CD2-CD1 4.15Å; F393-Y437 HydrophobicContact CD2-CD2 4.25Å; F393-Y437 AromaticContact CD2-CG 3.86Å; F393-Y437 HydrophobicContact CD2-CG 3.86Å; F393-Y437 HydrophobicContact CG-CD1 4.41Å; F393-Y438 HydrophobicContact CB-CE2 4.17Å; F393-Y438 PolarHBondContact N-OH 3.33Å
394Q96Very high94.1Very high117 Ų11764.7 Ų64.755%0.54735%0.347SS..G310 helixtrans-64.9-25.5-167-63.7-60.9-37.700114.4P392 L396 K400P392-Q394 PolarHBondContact O-N 2.75Å; P392-Q394 VanDerWaalsContact O-N 3.1Å; P392-Q394 PolarHBondContact O-NE2 3.26Å; P392-Q394 VanDerWaalsContact O-NE2 3.15Å; Q394-L396 VanDerWaalsContact C-N 3.31Å; Q394-K400 PolarHBondContact O-NZ 3.46Å
395L96.3Very high94.4Very high89 Ų8963.3 Ų63.347%0.46634%0.339SS..G310 helixtrans-74.7-23.4179.9-61179.4000112.4F393 K400 L430F393-L395 VanDerWaalsContact C-N 3.26Å; F393-L395 HydrophobicContact CD1-CB 4.27Å; F393-L395 HydrophobicContact CE1-CB 3.7Å; F393-L395 HydrophobicContact CE1-CD1 4.46Å; F393-L395 HydrophobicContact CE1-CG 4.46Å; F393-L395 HydrophobicContact CE2-CD1 4.48Å; F393-L395 HydrophobicContact CZ-CB 3.93Å; F393-L395 HydrophobicContact CZ-CD1 3.88Å; F393-L395 HydrophobicContact CZ-CG 4.19Å; F393-L395 PolarHBondContact O-N 3.3Å; L395-K400 WeakPolarHBondContact O-CD 3.42Å; L395-L430 HydrophobicContact CB-CD2 4.07Å; L395-L430 HydrophobicContact CD1-CD2 4.11Å
396L96.5Very high94.7Very high0 Ų068.6 Ų68.60%036%0.362CS..G310 helixtrans-137.854.3-175.1-161.360.7000112.2L371 F374 F393 Q394 Q401 F404 L427 L430 S431L371-L396 HydrophobicContact CD1-CD2 4.02Å; F374-L396 HydrophobicContact CD1-CD2 3.81Å; F374-L396 HydrophobicContact CD1-CG 4.42Å; F374-L396 HydrophobicContact CE1-CB 4.04Å; F374-L396 HydrophobicContact CE1-CD2 3.56Å; F374-L396 HydrophobicContact CE1-CG 3.74Å; F374-L396 WeakPolarHBondContact CE1-O 3.47Å; F374-L396 HydrophobicContact CE2-CD2 4.47Å; F374-L396 HydrophobicContact CG-CD2 4.32Å; F374-L396 HydrophobicContact CZ-CB 3.85Å; F374-L396 HydrophobicContact CZ-CD2 3.93Å; F374-L396 HydrophobicContact CZ-CG 4.08Å; F393-L396 HydrophobicContact CD1-CB 3.87Å; F393-L396 HydrophobicContact CE1-CB 4.23Å; F393-L396 CarbonylContact O-C 3.52Å; F393-L396 PolarHBondContact O-N 3.5Å; F393-L396 VanDerWaalsContact O-N 3.15Å; Q394-L396 VanDerWaalsContact C-N 3.31Å; L396-Q401 HydrophobicContact CD1-CG 3.94Å; L396-Q401 HydrophobicContact CG-CG 3.72Å; L396-Q401 PolarHBondContact O-NE2 3.26Å; L396-F404 HydrophobicContact CD1-CD2 3.9Å; L396-F404 HydrophobicContact CD1-CE2 4.17Å; L396-L427 HydrophobicContact CD1-CD1 3.8Å; L396-L427 HydrophobicContact CD2-CD1 4.28Å; L396-L430 HydrophobicContact CD2-CB 4.33Å; L396-S431 WeakPolarHBondContact CD2-OG 3.13Å
397T95.4Very high95.1Very high29 Ų2973.5 Ų73.518%0.17838%0.378CS..  trans-60.4159.9172.9580000111.7F393 S399 K400 Q401F393-T397 PolarHBondContact O-N 3.36Å; T397-S399 PolarHBondContact O-N 3.4Å; T397-S399 VanDerWaalsContact O-N 3.11Å; T397-S399 PolarHBondContact OG1-OG 2.87Å; T397-K400 PolarHBondContact O-N 3.4Å; T397-K400 WeakPolarHBondContact OG1-CG 3.23Å; T397-Q401 WeakPolarHBondContact O-CG 3.4Å; T397-Q401 PolarHBondContact O-N 2.92Å
398E94.1Very high95.4Very high111 Ų11168.1 Ų68.152%0.51934%0.343SS..Hα-helixtrans-51.1-39179.3-68.2173-175.900112.4M378 K382 A402M378-E398 HydrophobicContact SD-CG 4.5Å; K382-E398 IonicContact NZ-OE1 3.19Å; K382-E398 PolarHBondContact NZ-OE1 2.98Å; E398-A402 PolarHBondContact O-N 3.38Å
399S94.8Very high95.7Very high84 Ų8464 Ų6459%0.58732%0.323SS*.Hα-helixtrans-64.6-44.6174.655.50000113.6T397 A402 E403T397-S399 PolarHBondContact O-N 3.4Å; T397-S399 VanDerWaalsContact O-N 3.11Å; T397-S399 PolarHBondContact OG1-OG 2.87Å; S399-A402 PolarHBondContact O-N 2.82Å; S399-E403 PolarHBondContact O-N 3.07Å
400K96.1Very high96.1Very high73 Ų7363.5 Ų63.532%0.31732%0.32SS..Hα-helixtrans-67.3-37.6178.3-72.5-179.4179.41770111.3Q394 L395 T397 A402 E403 F404Q394-K400 PolarHBondContact O-NZ 3.46Å; L395-K400 WeakPolarHBondContact O-CD 3.42Å; T397-K400 PolarHBondContact O-N 3.4Å; T397-K400 WeakPolarHBondContact OG1-CG 3.23Å; K400-A402 VanDerWaalsContact C-N 3.33Å; K400-A402 PolarHBondContact O-N 2.97Å; K400-E403 WeakPolarHBondContact O-CB 3.24Å; K400-E403 PolarHBondContact O-N 3.38Å; K400-F404 HydrophobicContact CB-CD2 4.44Å; K400-F404 WeakPolarHBondContact O-CD2 3.47Å; K400-F404 PolarHBondContact O-N 2.88Å
401Q96.1Very high96.2Very high12 Ų1263 Ų636%0.05632%0.319CS..Hα-helixtrans-57.8-47.4174.1-64.3166.439.400111.1L371 F374 K375 M378 L396 T397 E403 T405L371-Q401 HydrophobicContact CD1-CB 4.46Å; L371-Q401 HydrophobicContact CD1-CG 3.96Å; F374-Q401 HydrophobicContact CE1-CG 4.35Å; K375-Q401 VanDerWaalsContact CE-OE1 3.22Å; K375-Q401 VanDerWaalsContact CG-OE1 3.28Å; M378-Q401 VanDerWaalsContact CE-NE2 3.29Å; L396-Q401 HydrophobicContact CD1-CG 3.94Å; L396-Q401 HydrophobicContact CG-CG 3.72Å; L396-Q401 PolarHBondContact O-NE2 3.26Å; T397-Q401 WeakPolarHBondContact O-CG 3.4Å; T397-Q401 PolarHBondContact O-N 2.92Å; Q401-E403 VanDerWaalsContact C-N 3.33Å; Q401-E403 PolarHBondContact O-N 2.96Å; Q401-T405 WeakPolarHBondContact O-CB 3.47Å; Q401-T405 VanDerWaalsContact O-CG2 3.31Å; Q401-T405 WeakPolarHBondContact O-CG2 3.49Å; Q401-T405 PolarHBondContact O-N 3.06Å; Q401-T405 VanDerWaalsContact O-N 3.09Å; Q401-T405 PolarHBondContact O-OG1 3.22Å
402A95.8Very high96.4Very high56 Ų5660.1 Ų60.146%0.46330%0.301SS..Hα-helixtrans-62.7-40.2175.900000111.7E398 S399 K400 T405 H406E398-A402 PolarHBondContact O-N 3.38Å; S399-A402 PolarHBondContact O-N 2.82Å; K400-A402 VanDerWaalsContact C-N 3.33Å; K400-A402 PolarHBondContact O-N 2.97Å; A402-T405 PolarHBondContact O-OG1 3.01Å; A402-T405 VanDerWaalsContact O-OG1 3.1Å; A402-H406 WeakPolarHBondContact O-CB 3.41Å; A402-H406 PolarHBondContact O-N 3.44Å
403E96.4Very high96.4Very high115 Ų11565.2 Ų65.254%0.53732%0.321SS..Hα-helixtrans-62.7-51.1176.7-172.9-170.7159.500112.3S399 K400 Q401 T405 H406 R407S399-E403 PolarHBondContact O-N 3.07Å; K400-E403 WeakPolarHBondContact O-CB 3.24Å; K400-E403 PolarHBondContact O-N 3.38Å; Q401-E403 VanDerWaalsContact C-N 3.33Å; Q401-E403 PolarHBondContact O-N 2.96Å; E403-T405 PolarHBondContact O-N 3.38Å; E403-H406 PolarHBondContact O-N 3.47Å; E403-R407 WeakPolarHBondContact O-CB 3.28Å; E403-R407 PolarHBondContact O-N 3.06Å
404F96.4Very high96.5Very high43 Ų4369.1 Ų69.119%0.18934%0.342CS..Hα-helixtrans-57.8-49.9179.2-87.9-72.9000111.6L396 K400 R407 A408 L423 L427 L430L396-F404 HydrophobicContact CD1-CD2 3.9Å; L396-F404 HydrophobicContact CD1-CE2 4.17Å; K400-F404 HydrophobicContact CB-CD2 4.44Å; K400-F404 WeakPolarHBondContact O-CD2 3.47Å; K400-F404 PolarHBondContact O-N 2.88Å; F404-R407 PolarHBondContact O-N 3.5Å; F404-A408 WeakPolarHBondContact O-CB 3.48Å; F404-A408 PolarHBondContact O-N 3.31Å; F404-L423 HydrophobicContact CD1-CD1 3.52Å; F404-L423 HydrophobicContact CD1-CG 4.08Å; F404-L423 HydrophobicContact CE1-CD1 3.57Å; F404-L427 HydrophobicContact CB-CD1 4.08Å; F404-L427 HydrophobicContact CB-CD2 4.27Å; F404-L427 HydrophobicContact CD2-CD1 4.38Å; F404-L427 HydrophobicContact CG-CD1 4.18Å; F404-L430 HydrophobicContact CE2-CD1 4.04Å; F404-L430 HydrophobicContact CZ-CD1 3.8Å
405T96.2Very high96.6Very high26 Ų2670.5 Ų70.516%0.1635%0.349CS..Hα-helixtrans-65.5-44-177.752.50000111.7I368 L371 Q401 A402 E403 R409 L427I368-T405 HydrophobicContact CD1-CG2 3.48Å; I368-T405 VanDerWaalsContact CD1-CG2 3.48Å; L371-T405 HydrophobicContact CD2-CG2 3.55Å; Q401-T405 WeakPolarHBondContact O-CB 3.47Å; Q401-T405 VanDerWaalsContact O-CG2 3.31Å; Q401-T405 WeakPolarHBondContact O-CG2 3.49Å; Q401-T405 PolarHBondContact O-N 3.06Å; Q401-T405 VanDerWaalsContact O-N 3.09Å; Q401-T405 PolarHBondContact O-OG1 3.22Å; A402-T405 PolarHBondContact O-OG1 3.01Å; A402-T405 VanDerWaalsContact O-OG1 3.1Å; E403-T405 PolarHBondContact O-N 3.38Å; T405-R409 PolarHBondContact O-N 3.44Å; T405-R409 VanDerWaalsContact O-N 3.15Å; T405-L427 HydrophobicContact CG2-CD2 4.32Å
406H96.9Very high96.6Very high122 Ų12271.4 Ų71.457%0.56535%0.349SS*.Hα-helixtrans-63.4-45.3176.4-176.459.6000112.2A402 E403 R409 I410A402-H406 WeakPolarHBondContact O-CB 3.41Å; A402-H406 PolarHBondContact O-N 3.44Å; E403-H406 PolarHBondContact O-N 3.47Å; H406-R409 PolarHBondContact O-N 3.14Å; H406-I410 VanDerWaalsContact NE2-CD1 3.33Å; H406-I410 WeakPolarHBondContact NE2-CD1 3.36Å; H406-I410 WeakPolarHBondContact O-CG1 3.47Å; H406-I410 PolarHBondContact O-N 3.45Å
407R97.7Very high96.7Very high141 Ų14173.4 Ų73.453%0.53236%0.357SS..Hα-helixtrans-64.7-41.5179.5-175.6176.2176177.4-3.4112.2E403 F404 R409 I410 L411 L423E403-R407 WeakPolarHBondContact O-CB 3.28Å; E403-R407 PolarHBondContact O-N 3.06Å; F404-R407 PolarHBondContact O-N 3.5Å; R407-R409 VanDerWaalsContact C-N 3.33Å; R407-R409 PolarHBondContact O-N 2.97Å; R407-I410 PolarHBondContact O-N 2.92Å; R407-L411 HydrophobicContact CG-CD1 4.34Å; R407-L411 WeakPolarHBondContact O-CG 3.5Å; R407-L411 PolarHBondContact O-N 3.23Å; R407-L423 HydrophobicContact CB-CD2 4.01Å; R407-L423 HydrophobicContact CG-CD2 3.8Å
408A97.1Very high96.8Very high2 Ų277.3 Ų77.32%0.01738%0.376CS..Hα-helixtrans-61.8-41.8176.200000111.5Y364 F404 L411 I412 L423Y364-A408 HydrophobicContact CD2-CB 3.75Å; Y364-A408 HydrophobicContact CE2-CB 3.82Å; F404-A408 WeakPolarHBondContact O-CB 3.48Å; F404-A408 PolarHBondContact O-N 3.31Å; A408-L411 PolarHBondContact O-N 3.45Å; A408-I412 WeakPolarHBondContact O-CG1 3.24Å; A408-I412 PolarHBondContact O-N 2.7Å; A408-I412 VanDerWaalsContact O-N 3.12Å; A408-L423 HydrophobicContact CB-CD2 3.95Å
409R96.9Very high97Very high77 Ų7776.2 Ų76.229%0.29137%0.374SS..Hα-helixtrans-61.8-43.3173.2-75.7-58-168.7-162.1-1.2113E361 Y364 T405 H406 R407 L411 I412 Q413E361-R409 VanDerWaalsContact CD-NH1 3.27Å; E361-R409 IonicContact OE1-NH1 3.1Å; E361-R409 PolarHBondContact OE1-NH1 3.17Å; E361-R409 VanDerWaalsContact OE1-NH1 3.1Å; E361-R409 IonicContact OE2-CZ 2.76Å; E361-R409 IonicContact OE2-NH1 2.69Å; E361-R409 PolarHBondContact OE2-NH1 3.46Å; E361-R409 IonicContact OE2-NH2 2.75Å; Y364-R409 VanDerWaalsContact CD1-NH2 3.31Å; Y364-R409 HydrophobicContact CE2-CG 3.69Å; Y364-R409 WeakPolarHBondContact OH-CG 3.3Å; Y364-R409 PolarHBondContact OH-NE 3.3Å; T405-R409 PolarHBondContact O-N 3.44Å; T405-R409 VanDerWaalsContact O-N 3.15Å; H406-R409 PolarHBondContact O-N 3.14Å; R407-R409 VanDerWaalsContact C-N 3.33Å; R407-R409 PolarHBondContact O-N 2.97Å; R409-L411 PolarHBondContact O-N 2.98Å; R409-I412 PolarHBondContact O-N 3.43Å; R409-Q413 WeakPolarHBondContact O-CG 3.48Å; R409-Q413 PolarHBondContact O-N 3.47Å
410I97.9Very high97.2Very high62 Ų6272.2 Ų72.232%0.31835%0.346SS..Hα-helixtrans-60.3-45175.5-71.9170.1000111H406 R407 I412 Q413 L414H406-I410 VanDerWaalsContact NE2-CD1 3.33Å; H406-I410 WeakPolarHBondContact NE2-CD1 3.36Å; H406-I410 WeakPolarHBondContact O-CG1 3.47Å; H406-I410 PolarHBondContact O-N 3.45Å; R407-I410 PolarHBondContact O-N 2.92Å; I410-I412 VanDerWaalsContact C-N 3.32Å; I410-I412 PolarHBondContact O-N 2.8Å; I410-Q413 PolarHBondContact O-N 3.36Å; I410-L414 HydrophobicContact CG2-CD1 3.67Å; I410-L414 HydrophobicContact CG2-CG 4.15Å; I410-L414 WeakPolarHBondContact O-CB 3.09Å; I410-L414 VanDerWaalsContact O-CG 3.31Å; I410-L414 WeakPolarHBondContact O-CG 3.35Å; I410-L414 PolarHBondContact O-N 2.81Å
411L98.3Very high97.3Very high22 Ų2269.5 Ų69.512%0.11534%0.335CS..Hα-helixtrans-61.3-40.3-179.7-71.8169.3000112.1R407 A408 R409 L414 E415 K416 D419 A420 L423R407-L411 HydrophobicContact CG-CD1 4.34Å; R407-L411 WeakPolarHBondContact O-CG 3.5Å; R407-L411 PolarHBondContact O-N 3.23Å; A408-L411 PolarHBondContact O-N 3.45Å; R409-L411 PolarHBondContact O-N 2.98Å; L411-L414 CarbonylContact O-C 3.6Å; L411-L414 PolarHBondContact O-N 3.21Å; L411-E415 PolarHBondContact O-N 3.37Å; L411-K416 HydrophobicContact CB-CB 4.47Å; L411-K416 HydrophobicContact CD2-CB 4.04Å; L411-K416 HydrophobicContact CD2-CD 4.01Å; L411-K416 PolarHBondContact O-N 2.89Å; L411-D419 HydrophobicContact CD1-CB 4.12Å; L411-D419 HydrophobicContact CD2-CB 4.11Å; L411-A420 HydrophobicContact CB-CB 3.84Å; L411-L423 HydrophobicContact CD1-CD2 3.86Å
412I97.1Very high97.4Very high10 Ų1072.8 Ų72.85%0.05136%0.356CS..Hα-helixtrans-64.4-43.4174.9-65.5170.5000111.1A360 E361 Y364 A408 R409 I410 L414 E415 Y417 A420A360-I412 HydrophobicContact CB-CG1 4.24Å; E361-I412 HydrophobicContact CG-CG2 4.44Å; E361-I412 WeakPolarHBondContact OE1-CG2 3.4Å; Y364-I412 HydrophobicContact CD2-CD1 4.15Å; Y364-I412 HydrophobicContact CG-CD1 4.17Å; A408-I412 WeakPolarHBondContact O-CG1 3.24Å; A408-I412 PolarHBondContact O-N 2.7Å; A408-I412 VanDerWaalsContact O-N 3.12Å; R409-I412 PolarHBondContact O-N 3.43Å; I410-I412 VanDerWaalsContact C-N 3.32Å; I410-I412 PolarHBondContact O-N 2.8Å; I412-L414 VanDerWaalsContact C-N 3.28Å; I412-L414 PolarHBondContact O-N 3.15Å; I412-E415 PolarHBondContact O-N 2.81Å; I412-Y417 HydrophobicContact CG2-CE1 4.24Å; I412-A420 HydrophobicContact CD1-CB 4.49Å; I412-A420 HydrophobicContact CG1-CB 3.71Å
413Q96.6Very high97.5Very high151 Ų15171.3 Ų71.371%0.70634%0.34SS*.Hα-helixtrans-64.7-30.8177.1-72.2173.3-6.900113.1R409 I410 E415R409-Q413 WeakPolarHBondContact O-CG 3.48Å; R409-Q413 PolarHBondContact O-N 3.47Å; I410-Q413 PolarHBondContact O-N 3.36Å; Q413-E415 PolarHBondContact O-N 2.83Å
414L97.9Very high97.6Very high110 Ų11065.9 Ų65.958%0.57632%0.315SS*.THydrogen-bonded Turntrans-85.18.3174.6-66177.1000113.2I410 L411 I412 K416I410-L414 HydrophobicContact CG2-CD1 3.67Å; I410-L414 HydrophobicContact CG2-CG 4.15Å; I410-L414 WeakPolarHBondContact O-CB 3.09Å; I410-L414 VanDerWaalsContact O-CG 3.31Å; I410-L414 WeakPolarHBondContact O-CG 3.35Å; I410-L414 PolarHBondContact O-N 2.81Å; L411-L414 CarbonylContact O-C 3.6Å; L411-L414 PolarHBondContact O-N 3.21Å; I412-L414 VanDerWaalsContact C-N 3.28Å; I412-L414 PolarHBondContact O-N 3.15Å; L414-K416 HydrophobicContact CB-CG 4.39Å; L414-K416 PolarHBondContact O-N 2.9Å; L414-K416 VanDerWaalsContact O-N 3.13Å
415E97.6Very high97.7Very high145 Ų14567.9 Ų67.968%0.67833%0.325SS*.THydrogen-bonded Turntrans60.220.1-179.2-53.1-179.4-179.800114.2L411 I412 Q413 Y417L411-E415 PolarHBondContact O-N 3.37Å; I412-E415 PolarHBondContact O-N 2.81Å; Q413-E415 PolarHBondContact O-N 2.83Å; E415-Y417 VanDerWaalsContact C-N 3.26Å; E415-Y417 HydrophobicContact CB-CE2 4.13Å; E415-Y417 PolarHBondContact O-N 3.12Å; E415-Y417 VanDerWaalsContact O-N 3.11Å
416K98.1Very high97.8Very high108 Ų10869.2 Ų69.247%0.4734%0.335SS..  trans-8862.9175-65.7-172175.1-170.60110.7L411 L414 N418 D419 A420L411-K416 HydrophobicContact CB-CB 4.47Å; L411-K416 HydrophobicContact CD2-CB 4.04Å; L411-K416 HydrophobicContact CD2-CD 4.01Å; L411-K416 PolarHBondContact O-N 2.89Å; L414-K416 HydrophobicContact CB-CG 4.39Å; L414-K416 PolarHBondContact O-N 2.9Å; L414-K416 VanDerWaalsContact O-N 3.13Å; K416-N418 PolarHBondContact O-N 2.75Å; K416-D419 HydrophobicContact CB-CB 4.28Å; K416-D419 PolarHBondContact O-N 2.64Å; K416-A420 PolarHBondContact O-N 2.88Å; K416-A420 VanDerWaalsContact O-N 3.07Å
417Y98.1Very high97.8Very high42 Ų4263.6 Ų63.617%0.16531%0.309CS..Hα-helixtrans-62.1-42.4-170.1-58.4-51.5000113.9D356 Q357 A360 I412 E415 D419 A420 I421D356-Y417 HydrophobicContact CB-CD2 3.61Å; D356-Y417 HydrophobicContact CB-CE2 4.45Å; D356-Y417 HydrophobicContact CB-CG 4.06Å; Q357-Y417 HydrophobicContact CB-CD1 4.43Å; Q357-Y417 HydrophobicContact CB-CE1 3.78Å; Q357-Y417 HydrophobicContact CB-CE2 4.13Å; Q357-Y417 HydrophobicContact CG-CE1 3.85Å; A360-Y417 HydrophobicContact CB-CD1 3.8Å; A360-Y417 HydrophobicContact CB-CG 4.26Å; I412-Y417 HydrophobicContact CG2-CE1 4.24Å; E415-Y417 VanDerWaalsContact C-N 3.26Å; E415-Y417 HydrophobicContact CB-CE2 4.13Å; E415-Y417 PolarHBondContact O-N 3.12Å; E415-Y417 VanDerWaalsContact O-N 3.11Å; Y417-D419 PolarHBondContact O-N 3.43Å; Y417-A420 WeakPolarHBondContact O-CB 3.23Å; Y417-A420 PolarHBondContact O-N 2.85Å; Y417-I421 VanDerWaalsContact O-CG1 3.31Å; Y417-I421 WeakPolarHBondContact O-CG1 3.34Å; Y417-I421 PolarHBondContact O-N 2.6Å
418N97.6Very high97.8Very high111 Ų11157 Ų5759%0.59429%0.285SS*.Hα-helixtrans-63.3-43.6179-70.1-34.9000112.1K416 A420 I421 T422K416-N418 PolarHBondContact O-N 2.75Å; N418-A420 VanDerWaalsContact C-N 3.3Å; N418-A420 PolarHBondContact O-N 3.44Å; N418-I421 PolarHBondContact O-N 2.94Å; N418-T422 PolarHBondContact O-N 3.35Å; N418-T422 PolarHBondContact O-OG1 3.41Å
419D97.9Very high97.9Very high89 Ų8959.8 Ų59.848%0.47630%0.304SS..Hα-helixtrans-62.5-39.3176.2-64.6-16.9000111.1L411 K416 Y417 L423L411-D419 HydrophobicContact CD1-CB 4.12Å; L411-D419 HydrophobicContact CD2-CB 4.11Å; K416-D419 HydrophobicContact CB-CB 4.28Å; K416-D419 PolarHBondContact O-N 2.64Å; Y417-D419 PolarHBondContact O-N 3.43Å; D419-L423 WeakPolarHBondContact O-CB 3.42Å; D419-L423 PolarHBondContact O-N 3.4Å
420A98.3Very high97.9Very high0 Ų057.7 Ų57.70%030%0.298CS..Hα-helixtrans-64.1-44.6175.600000111.8L411 I412 K416 Y417 N418 L423 C424L411-A420 HydrophobicContact CB-CB 3.84Å; I412-A420 HydrophobicContact CD1-CB 4.49Å; I412-A420 HydrophobicContact CG1-CB 3.71Å; K416-A420 PolarHBondContact O-N 2.88Å; K416-A420 VanDerWaalsContact O-N 3.07Å; Y417-A420 WeakPolarHBondContact O-CB 3.23Å; Y417-A420 PolarHBondContact O-N 2.85Å; N418-A420 VanDerWaalsContact C-N 3.3Å; N418-A420 PolarHBondContact O-N 3.44Å; A420-L423 PolarHBondContact O-N 3.04Å; A420-C424 WeakPolarHBondContact O-CB 3.33Å; A420-C424 PolarHBondContact O-N 2.91Å; A420-C424 PolarHBondContact O-SG 3.49Å
421I98.4Very high97.9Very high15 Ų1554.7 Ų54.78%0.07728%0.283CS..Hα-helixtrans-58.8-50.1177.1-72162.6000110.5L349 K359 A360 M363 Y417 N418 L423 C424 Q425L349-I421 HydrophobicContact CD1-CD1 3.91Å; L349-I421 HydrophobicContact CD1-CG1 4.14Å; L349-I421 HydrophobicContact CD1-CG2 3.59Å; K359-I421 HydrophobicContact CB-CD1 4.2Å; A360-I421 HydrophobicContact CB-CD1 4.36Å; A360-I421 HydrophobicContact CB-CG1 4.08Å; M363-I421 HydrophobicContact CB-CG1 4.37Å; M363-I421 HydrophobicContact CG-CG2 4.31Å; Y417-I421 VanDerWaalsContact O-CG1 3.31Å; Y417-I421 WeakPolarHBondContact O-CG1 3.34Å; Y417-I421 PolarHBondContact O-N 2.6Å; N418-I421 PolarHBondContact O-N 2.94Å; I421-L423 VanDerWaalsContact C-N 3.31Å; I421-L423 PolarHBondContact O-N 3.25Å; I421-C424 PolarHBondContact O-N 2.91Å; I421-Q425 HydrophobicContact CG2-CG 4.48Å; I421-Q425 WeakPolarHBondContact O-CG 3.35Å; I421-Q425 PolarHBondContact O-N 3.3Å
422T98.1Very high97.7Very high82 Ų8255.8 Ų55.850%0.50329%0.289SS..Hα-helixtrans-61.8-38.9179.2-57.40000112.1N418 S426N418-T422 PolarHBondContact O-N 3.35Å; N418-T422 PolarHBondContact O-OG1 3.41Å; T422-S426 PolarHBondContact O-N 3.08Å; T422-S426 PolarHBondContact O-OG 3.18Å
423L98.3Very high97.7Very high24 Ų2459.7 Ų59.713%0.12631%0.307CS..Hα-helixtrans-65.5-43.6176.1-173.465.2000111.9F404 R407 A408 L411 D419 A420 I421 S426 L427F404-L423 HydrophobicContact CD1-CD1 3.52Å; F404-L423 HydrophobicContact CD1-CG 4.08Å; F404-L423 HydrophobicContact CE1-CD1 3.57Å; R407-L423 HydrophobicContact CB-CD2 4.01Å; R407-L423 HydrophobicContact CG-CD2 3.8Å; A408-L423 HydrophobicContact CB-CD2 3.95Å; L411-L423 HydrophobicContact CD1-CD2 3.86Å; D419-L423 WeakPolarHBondContact O-CB 3.42Å; D419-L423 PolarHBondContact O-N 3.4Å; A420-L423 PolarHBondContact O-N 3.04Å; I421-L423 VanDerWaalsContact C-N 3.31Å; I421-L423 PolarHBondContact O-N 3.25Å; L423-S426 WeakPolarHBondContact O-CB 3.43Å; L423-S426 PolarHBondContact O-N 3.01Å; L423-L427 PolarHBondContact O-N 3.26Å
424C98.4Very high97.6Very high1 Ų152.5 Ų52.51%0.00727%0.273CS..Hα-helixtrans-65.5-40.9177.4-71.90000112.1M363 A367 A420 I421 S426 L427 I428M363-C424 HydrophobicContact CG-CB 3.63Å; A367-C424 HydrophobicContact CB-CB 3.86Å; A420-C424 WeakPolarHBondContact O-CB 3.33Å; A420-C424 PolarHBondContact O-N 2.91Å; A420-C424 PolarHBondContact O-SG 3.49Å; I421-C424 PolarHBondContact O-N 2.91Å; C424-S426 VanDerWaalsContact C-N 3.3Å; C424-S426 PolarHBondContact O-N 3.38Å; C424-L427 WeakPolarHBondContact O-CB 3.39Å; C424-L427 PolarHBondContact O-N 2.93Å; C424-L427 VanDerWaalsContact O-N 3.17Å; C424-I428 WeakPolarHBondContact O-CG1 3.27Å; C424-I428 PolarHBondContact O-N 3.45Å
425Q98.1Very high97.4Very high86 Ų8647.8 Ų47.840%0.40225%0.248SC..Hα-helixtrans-60.1-41.4172.9-73.4173.9-35.100111.7M363 I421 L427 I428 S429M363-Q425 HydrophobicContact CE-CG 4.12Å; M363-Q425 HydrophobicContact CG-CG 4.42Å; M363-Q425 HydrophobicContact SD-CG 3.88Å; I421-Q425 HydrophobicContact CG2-CG 4.48Å; I421-Q425 WeakPolarHBondContact O-CG 3.35Å; I421-Q425 PolarHBondContact O-N 3.3Å; Q425-L427 VanDerWaalsContact C-N 3.34Å; Q425-L427 PolarHBondContact O-N 3.32Å; Q425-I428 PolarHBondContact O-N 2.94Å; Q425-S429 PolarHBondContact O-N 3.5Å
426S97.8Very high97.1Very high54 Ų5445 Ų4538%0.37824%0.241SC..Hα-helixtrans-63.5-40.7174.9-56.30000111.7T422 L423 C424 S429 L430T422-S426 PolarHBondContact O-N 3.08Å; T422-S426 PolarHBondContact O-OG 3.18Å; L423-S426 WeakPolarHBondContact O-CB 3.43Å; L423-S426 PolarHBondContact O-N 3.01Å; C424-S426 VanDerWaalsContact C-N 3.3Å; C424-S426 PolarHBondContact O-N 3.38Å; S426-S429 PolarHBondContact O-N 3.34Å; S426-L430 WeakPolarHBondContact O-CG 3.37Å; S426-L430 PolarHBondContact O-N 3.35Å
427L98.3Very high96.9Very high4 Ų443.1 Ų43.12%0.02123%0.232CC..Hα-helixtrans-64.9-40.3175.8178.460.6000112A367 L371 L396 F404 T405 L423 C424 Q425 S431A367-L427 HydrophobicContact CB-CD2 4.14Å; A367-L427 HydrophobicContact CB-CG 4.49Å; L371-L427 HydrophobicContact CD1-CD1 4.36Å; L371-L427 HydrophobicContact CD2-CD2 4.28Å; L396-L427 HydrophobicContact CD1-CD1 3.8Å; L396-L427 HydrophobicContact CD2-CD1 4.28Å; F404-L427 HydrophobicContact CB-CD1 4.08Å; F404-L427 HydrophobicContact CB-CD2 4.27Å; F404-L427 HydrophobicContact CD2-CD1 4.38Å; F404-L427 HydrophobicContact CG-CD1 4.18Å; T405-L427 HydrophobicContact CG2-CD2 4.32Å; L423-L427 PolarHBondContact O-N 3.26Å; C424-L427 WeakPolarHBondContact O-CB 3.39Å; C424-L427 PolarHBondContact O-N 2.93Å; C424-L427 VanDerWaalsContact O-N 3.17Å; Q425-L427 VanDerWaalsContact C-N 3.34Å; Q425-L427 PolarHBondContact O-N 3.32Å; L427-S431 VanDerWaalsContact O-CB 3.23Å; L427-S431 WeakPolarHBondContact O-CB 3.15Å; L427-S431 PolarHBondContact O-N 2.77Å; L427-S431 PolarHBondContact O-OG 3.09Å
428I98.1Very high96.7Very high3 Ų341.4 Ų41.42%0.01523%0.225CC..Hα-helixtrans-59.7-51.3174.4-69.6164.4000109.8V346 M363 N366 A367 V370 C424 Q425 L430 S431 L432V346-I428 HydrophobicContact CG1-CD1 4.4Å; V346-I428 HydrophobicContact CG2-CG2 4.05Å; M363-I428 HydrophobicContact SD-CD1 3.71Å; N366-I428 HydrophobicContact CB-CD1 4.4Å; A367-I428 HydrophobicContact CB-CD1 4.1Å; A367-I428 HydrophobicContact CB-CG1 3.74Å; V370-I428 HydrophobicContact CG1-CG2 4.44Å; V370-I428 HydrophobicContact CG2-CG2 4.41Å; C424-I428 WeakPolarHBondContact O-CG1 3.27Å; C424-I428 PolarHBondContact O-N 3.45Å; Q425-I428 PolarHBondContact O-N 2.94Å; I428-L430 PolarHBondContact O-N 2.7Å; I428-S431 PolarHBondContact O-N 2.73Å; I428-S431 VanDerWaalsContact O-N 3.15Å; I428-L432 HydrophobicContact CG2-CD1 3.88Å; I428-L432 HydrophobicContact CG2-CG 4.29Å; I428-L432 WeakPolarHBondContact O-CG 3.43Å; I428-L432 PolarHBondContact O-N 3.24Å
429S97.4Very high96.3Very high59 Ų5937.6 Ų37.641%0.41320%0.203SC..Hα-helixtrans-55.4-51178.9-167.10000111.8Q425 S426 S431 L432 E433Q425-S429 PolarHBondContact O-N 3.5Å; S426-S429 PolarHBondContact O-N 3.34Å; S429-S431 VanDerWaalsContact C-N 3.31Å; S429-S431 PolarHBondContact O-N 3.05Å; S429-L432 PolarHBondContact O-N 2.89Å; S429-E433 WeakPolarHBondContact O-CG 3.27Å; S429-E433 PolarHBondContact O-N 3.18Å; S429-E433 PolarHBondContact OG-OE1 2.94Å
430L97.8Very high96Very high33 Ų3335 Ų3517%0.17319%0.191CC..Hα-helixtrans-64-35.2179.3-71.6174.3000112.9L395 L396 F404 S426 I428 G434L395-L430 HydrophobicContact CB-CD2 4.07Å; L395-L430 HydrophobicContact CD1-CD2 4.11Å; L396-L430 HydrophobicContact CD2-CB 4.33Å; F404-L430 HydrophobicContact CE2-CD1 4.04Å; F404-L430 HydrophobicContact CZ-CD1 3.8Å; S426-L430 WeakPolarHBondContact O-CG 3.37Å; S426-L430 PolarHBondContact O-N 3.35Å; I428-L430 PolarHBondContact O-N 2.7Å; L430-G434 PolarHBondContact O-N 2.83Å
431S97.7Very high95.7Very high0 Ų037.2 Ų37.20%020%0.199CC..Hα-helixtrans-69.9-41.4178-59.60000111.1L396 L427 I428 S429 G434 L435L396-S431 WeakPolarHBondContact CD2-OG 3.13Å; L427-S431 VanDerWaalsContact O-CB 3.23Å; L427-S431 WeakPolarHBondContact O-CB 3.15Å; L427-S431 PolarHBondContact O-N 2.77Å; L427-S431 PolarHBondContact O-OG 3.09Å; I428-S431 PolarHBondContact O-N 2.73Å; I428-S431 VanDerWaalsContact O-N 3.15Å; S429-S431 VanDerWaalsContact C-N 3.31Å; S429-S431 PolarHBondContact O-N 3.05Å; S431-G434 PolarHBondContact O-N 2.98Å; S431-L435 VanDerWaalsContact O-CB 3.27Å; S431-L435 WeakPolarHBondContact O-CB 3.42Å; S431-L435 PolarHBondContact O-N 3.23Å
432L95.3Very high95.4Very high45 Ų4538 Ų3824%0.23620%0.204CC..Hα-helixtrans-65.7-44.7175.2-67.6175.6000111.8V344 V370 I428 S429 G434 L435 V436V344-L432 HydrophobicContact CB-CD2 3.89Å; V344-L432 HydrophobicContact CG1-CD2 3.93Å; V370-L432 HydrophobicContact CG1-CD2 3.61Å; V370-L432 HydrophobicContact CG1-CG 3.84Å; I428-L432 HydrophobicContact CG2-CD1 3.88Å; I428-L432 HydrophobicContact CG2-CG 4.29Å; I428-L432 WeakPolarHBondContact O-CG 3.43Å; I428-L432 PolarHBondContact O-N 3.24Å; S429-L432 PolarHBondContact O-N 2.89Å; L432-G434 VanDerWaalsContact C-N 3.33Å; L432-G434 PolarHBondContact O-N 2.89Å; L432-L435 WeakPolarHBondContact O-CB 3.22Å; L432-L435 PolarHBondContact O-N 3.15Å; L432-V436 WeakPolarHBondContact O-CG2 3.5Å; L432-V436 PolarHBondContact O-N 3.45Å
433E95.5Very high95Very high92 Ų9236.6 Ų36.643%0.4319%0.189SC..Hα-helixtrans-59.6-44.2173.6-74.2172.9-136.600111.7F393 S429 L435 V436 Y437F393-E433 HydrophobicContact CZ-CB 4.15Å; S429-E433 WeakPolarHBondContact O-CG 3.27Å; S429-E433 PolarHBondContact O-N 3.18Å; S429-E433 PolarHBondContact OG-OE1 2.94Å; E433-L435 VanDerWaalsContact C-N 3.32Å; E433-L435 PolarHBondContact O-N 3.48Å; E433-V436 PolarHBondContact O-N 2.88Å; E433-Y437 PolarHBondContact O-N 2.91Å
434G95.4Very high94.8Very high0 Ų043.5 Ų43.50%022%0.219CC..Hα-helixtrans-66.3-33176.500000113.3F374 L430 S431 L432 Y437 Y438F374-G434 VanDerWaalsContact CD2-C 3.42Å; F374-G434 VanDerWaalsContact CE2-CA 3.46Å; L430-G434 PolarHBondContact O-N 2.83Å; S431-G434 PolarHBondContact O-N 2.98Å; L432-G434 VanDerWaalsContact C-N 3.33Å; L432-G434 PolarHBondContact O-N 2.89Å; G434-Y437 WeakPolarHBondContact O-CB 3.12Å; G434-Y437 PolarHBondContact O-N 2.97Å; G434-Y438 WeakPolarHBondContact O-CD2 3.26Å; G434-Y438 PolarHBondContact O-N 2.82Å
435L93.4Very high94.5Very high11 Ų1146.8 Ų46.86%0.05823%0.233CC..Hα-helixtrans-65-49.1175.5-173.760.4000109.1V31 Q373 K377 S431 L432 E433 Y437 Y438 H439V31-L435 HydrophobicContact CG2-CD1 4.16Å; Q373-L435 HydrophobicContact CB-CD1 4.43Å; Q373-L435 HydrophobicContact CB-CD2 4.19Å; K377-L435 HydrophobicContact CB-CD1 3.74Å; K377-L435 HydrophobicContact CG-CD1 4.04Å; S431-L435 VanDerWaalsContact O-CB 3.27Å; S431-L435 WeakPolarHBondContact O-CB 3.42Å; S431-L435 PolarHBondContact O-N 3.23Å; L432-L435 WeakPolarHBondContact O-CB 3.22Å; L432-L435 PolarHBondContact O-N 3.15Å; E433-L435 VanDerWaalsContact C-N 3.32Å; E433-L435 PolarHBondContact O-N 3.48Å; L435-Y437 VanDerWaalsContact C-N 3.28Å; L435-Y437 PolarHBondContact O-N 3.1Å; L435-Y438 PolarHBondContact O-N 2.96Å; L435-H439 PolarHBondContact O-CD2 3.28Å; L435-H439 PolarHBondContact O-N 3.38Å
436V91.4Very high94.3Very high87 Ų8742.8 Ų42.853%0.52721%0.214SC..Hα-helixtrans-55.2-43.2173.7174.20000111.5L432 E433 Y438 H439 T440L432-V436 WeakPolarHBondContact O-CG2 3.5Å; L432-V436 PolarHBondContact O-N 3.45Å; E433-V436 PolarHBondContact O-N 2.88Å; V436-Y438 VanDerWaalsContact C-N 3.33Å; V436-Y438 PolarHBondContact O-N 3.32Å; V436-H439 PolarHBondContact O-N 3.41Å; V436-T440 HydrophobicContact CG1-CG2 4.36Å; V436-T440 WeakPolarHBondContact O-CB 3.25Å; V436-T440 WeakPolarHBondContact O-CG2 3.49Å; V436-T440 PolarHBondContact O-N 2.97Å; V436-T440 PolarHBondContact O-OG1 3.44Å
437Y94.1Very high94.1Very high68 Ų6840.6 Ų40.627%0.26720%0.201SC..Hα-helixtrans-56-44.4175.7172.2-95.5000112.6T391 F393 E433 G434 L435 T440 Y441T391-Y437 PolarHBondContact O-OH 3.5Å; F393-Y437 HydrophobicContact CB-CD1 3.87Å; F393-Y437 HydrophobicContact CB-CE1 4.17Å; F393-Y437 HydrophobicContact CB-CG 4.44Å; F393-Y437 HydrophobicContact CD2-CD1 4.15Å; F393-Y437 HydrophobicContact CD2-CD2 4.25Å; F393-Y437 AromaticContact CD2-CG 3.86Å; F393-Y437 HydrophobicContact CD2-CG 3.86Å; F393-Y437 HydrophobicContact CG-CD1 4.41Å; E433-Y437 PolarHBondContact O-N 2.91Å; G434-Y437 WeakPolarHBondContact O-CB 3.12Å; G434-Y437 PolarHBondContact O-N 2.97Å; L435-Y437 VanDerWaalsContact C-N 3.28Å; L435-Y437 PolarHBondContact O-N 3.1Å; Y437-T440 PolarHBondContact O-N 3.38Å; Y437-T440 PolarHBondContact O-OG1 3Å; Y437-Y441 HydrophobicContact CD1-CD2 4.44Å; Y437-Y441 AromaticContact CE1-CD2 3.79Å; Y437-Y441 HydrophobicContact CE1-CD2 3.79Å; Y437-Y441 AromaticContact CE1-CE2 3.89Å; Y437-Y441 HydrophobicContact CE1-CE2 3.89Å; Y437-Y441 AromaticContact CZ-CE2 3.95Å; Y437-Y441 PolarHBondContact O-N 3.02Å; Y437-Y441 VanDerWaalsContact O-N 3.13Å
438Y94Very high94Very high6 Ų643 Ų432%0.02422%0.217CC..Hα-helixtrans-79.4-28.3179.9-67.7-60000114.2F374 M378 K381 F390 P392 F393 G434 L435 V436 T440 Y441F374-Y438 HydrophobicContact CD2-CD2 4.1Å; F374-Y438 HydrophobicContact CD2-CE2 4.05Å; F374-Y438 AromaticContact CE2-CD2 3.83Å; F374-Y438 HydrophobicContact CE2-CD2 3.83Å; F374-Y438 AromaticContact CE2-CE2 3.37Å; F374-Y438 HydrophobicContact CE2-CE2 3.37Å; F374-Y438 AromaticContact CZ-CE2 3.84Å; F374-Y438 HydrophobicContact CZ-CE2 3.84Å; M378-Y438 HydrophobicContact CB-CD2 4.03Å; M378-Y438 HydrophobicContact CB-CE2 3.55Å; M378-Y438 HydrophobicContact CE-CE2 3.86Å; M378-Y438 HydrophobicContact CG-CE1 4.23Å; M378-Y438 HydrophobicContact CG-CE2 3.8Å; M378-Y438 WeakPolarHBondContact CG-OH 3.3Å; K381-Y438 HydrophobicContact CB-CD1 4.25Å; K381-Y438 HydrophobicContact CG-CD1 4.34Å; F390-Y438 AromaticContact CE2-CE1 4Å; F390-Y438 HydrophobicContact CE2-CE1 4Å; F390-Y438 HydrophobicContact CZ-CE1 4.01Å; P392-Y438 WeakPolarHBondContact CA-OH 3Å; F393-Y438 HydrophobicContact CB-CE2 4.17Å; F393-Y438 PolarHBondContact N-OH 3.33Å; G434-Y438 WeakPolarHBondContact O-CD2 3.26Å; G434-Y438 PolarHBondContact O-N 2.82Å; L435-Y438 PolarHBondContact O-N 2.96Å; V436-Y438 VanDerWaalsContact C-N 3.33Å; V436-Y438 PolarHBondContact O-N 3.32Å; Y438-T440 VanDerWaalsContact C-N 3.28Å; Y438-Y441 AromaticContact CD1-CD2 3.99Å; Y438-Y441 HydrophobicContact CD1-CD2 3.99Å; Y438-Y441 HydrophobicContact CE1-CD2 4.39Å
439H88.8Confident93.8Very high30 Ų3043.5 Ų43.514%0.13922%0.221CC..Hα-helixtrans-64.7-35.7169.6-81.5-82.1000111.7T27 S28 K377 L435 V436T27-H439 PolarHBondContact OG1-ND1 2.96Å; S28-H439 PolarHBondContact O-CE1 3.14Å; S28-H439 PolarHBondContact O-ND1 3.33Å; K377-H439 WeakPolarHBondContact CE-ND1 3.32Å; K377-H439 PolarHBondContact NZ-CE1 3.25Å; K377-H439 PolarHBondContact NZ-ND1 3.09Å; L435-H439 PolarHBondContact O-CD2 3.28Å; L435-H439 PolarHBondContact O-N 3.38Å; V436-H439 PolarHBondContact O-N 3.41Å
440T91Very high93.7Very high35 Ų3540.9 Ų40.922%0.21520%0.202CC..SBendtrans-96.87.5-17762.30000114.2V436 Y437 Y438 D442 R443V436-T440 HydrophobicContact CG1-CG2 4.36Å; V436-T440 WeakPolarHBondContact O-CB 3.25Å; V436-T440 WeakPolarHBondContact O-CG2 3.49Å; V436-T440 PolarHBondContact O-N 2.97Å; V436-T440 PolarHBondContact O-OG1 3.44Å; Y437-T440 PolarHBondContact O-N 3.38Å; Y437-T440 PolarHBondContact O-OG1 3Å; Y438-T440 VanDerWaalsContact C-N 3.28Å; T440-D442 VanDerWaalsContact C-N 3.32Å; T440-D442 PolarHBondContact O-N 2.9Å; T440-R443 WeakPolarHBondContact O-CB 3.43Å; T440-R443 PolarHBondContact O-N 2.96Å
441Y92.4Very high93.7Very high46 Ų4640.5 Ų40.518%0.1820%0.201CC..THydrogen-bonded Turntrans-56.5-39.8-170.3-165.3-80.1000114K381 L389 F390 T391 Y437 Y438K381-Y441 HydrophobicContact CD-CD1 4.14Å; K381-Y441 HydrophobicContact CD-CG 4.24Å; K381-Y441 HydrophobicContact CG-CD1 4.15Å; K381-Y441 HydrophobicContact CG-CD2 4.19Å; K381-Y441 HydrophobicContact CG-CG 3.93Å; L389-Y441 PolarHBondContact O-OH 3.29Å; F390-Y441 WeakPolarHBondContact CA-OH 3.34Å; T391-Y441 PolarHBondContact N-OH 3.47Å; T391-Y441 WeakPolarHBondContact O-CE2 3.19Å; Y437-Y441 HydrophobicContact CD1-CD2 4.44Å; Y437-Y441 AromaticContact CE1-CD2 3.79Å; Y437-Y441 HydrophobicContact CE1-CD2 3.79Å; Y437-Y441 AromaticContact CE1-CE2 3.89Å; Y437-Y441 HydrophobicContact CE1-CE2 3.89Å; Y437-Y441 AromaticContact CZ-CE2 3.95Å; Y437-Y441 PolarHBondContact O-N 3.02Å; Y437-Y441 VanDerWaalsContact O-N 3.13Å; Y438-Y441 AromaticContact CD1-CD2 3.99Å; Y438-Y441 HydrophobicContact CD1-CD2 3.99Å; Y438-Y441 HydrophobicContact CE1-CD2 4.39Å
442D91.3Very high93.6Very high31 Ų3144.7 Ų44.717%0.16622%0.223CC..THydrogen-bonded Turntrans-88.8-4.3-177.7-65.9-43.7000113.8K381 T440 F444 F445 L446 Y511K381-D442 WeakPolarHBondContact CE-OD1 3.47Å; K381-D442 WeakPolarHBondContact CE-OD2 3.27Å; K381-D442 IonicContact NZ-OD1 3.74Å; K381-D442 PolarHBondContact NZ-OD1 3.48Å; K381-D442 IonicContact NZ-OD2 2.95Å; K381-D442 PolarHBondContact NZ-OD2 2.67Å; T440-D442 VanDerWaalsContact C-N 3.32Å; T440-D442 PolarHBondContact O-N 2.9Å; D442-F444 VanDerWaalsContact C-N 3.33Å; D442-F444 PolarHBondContact O-N 3.08Å; D442-F445 PolarHBondContact O-N 3.42Å; D442-F445 VanDerWaalsContact O-N 3.16Å; D442-L446 HydrophobicContact CB-CD1 4.38Å; D442-L446 HydrophobicContact CB-CG 4.44Å; D442-L446 PolarHBondContact O-N 3Å; D442-Y511 HydrophobicContact CB-CE2 4.07Å; D442-Y511 VanDerWaalsContact CB-OH 3.29Å; D442-Y511 WeakPolarHBondContact CB-OH 3.47Å; D442-Y511 PolarHBondContact OD2-OH 2.86Å
443R91.6Very high93.6Very high53 Ų5342.6 Ų42.620%0.221%0.212CC..Hα-helixtrans-54.9-46.6-173.5177.8173.5-65.7173.84.4112.3I24 Y25 T440 G447 D883I24-R443 HydrophobicContact CG2-CB 4.43Å; I24-R443 HydrophobicContact CG2-CG 3.74Å; I24-R443 PolarHBondContact O-NE 3.45Å; I24-R443 VanDerWaalsContact O-NE 3.11Å; Y25-R443 PolarHBondContact O-NH2 3.22Å; T440-R443 WeakPolarHBondContact O-CB 3.43Å; T440-R443 PolarHBondContact O-N 2.96Å; R443-G447 WeakPolarHBondContact O-CA 3.26Å; R443-G447 PolarHBondContact O-N 3.22Å; R443-D883 IonicContact CZ-OD1 3.64Å; R443-D883 IonicContact CZ-OD2 3.5Å; R443-D883 IonicContact NH1-OD1 2.86Å; R443-D883 PolarHBondContact NH1-OD1 2.62Å; R443-D883 IonicContact NH1-OD2 3.87Å; R443-D883 PolarHBondContact NH1-OD2 3.3Å; R443-D883 VanDerWaalsContact NH2-CG 3.28Å; R443-D883 IonicContact NH2-OD1 2.61Å; R443-D883 IonicContact NH2-OD2 3.43Å; R443-D883 PolarHBondContact NH2-OD2 2.92Å
444F92.4Very high93.6Very high169 Ų16938.2 Ų38.274%0.74119%0.192SC*.Hα-helixtrans-64.7-44.3-179.3179.7-100.8000112.2D442 G447 C448D442-F444 VanDerWaalsContact C-N 3.33Å; D442-F444 PolarHBondContact O-N 3.08Å; F444-G447 PolarHBondContact O-N 3.31Å; F444-C448 PolarHBondContact O-N 2.92Å; F444-C448 PolarHBondContact O-SG 3.33Å
445F92.8Very high93.5Very high71 Ų7141.7 Ų41.731%0.31121%0.21SC..Hα-helixtrans-64.4-49.5-179.4167-108.9000112D442 C448 S449 F501 L502 C515D442-F445 PolarHBondContact O-N 3.42Å; D442-F445 VanDerWaalsContact O-N 3.16Å; F445-C448 PolarHBondContact O-N 3.49Å; F445-S449 PolarHBondContact O-N 3.27Å; F445-S449 PolarHBondContact O-OG 3.49Å; F445-F501 HydrophobicContact CE2-CE1 4.26Å; F445-F501 AromaticContact CZ-CE1 3.92Å; F445-F501 HydrophobicContact CZ-CE1 3.92Å; F445-L502 HydrophobicContact CE1-CD2 4.31Å; F445-L502 HydrophobicContact CZ-CD2 4.41Å; F445-C515 VanDerWaalsContact CZ-SG 3.58Å
446L93.6Very high93.6Very high1 Ų141.2 Ų41.21%0.00521%0.207CC..Hα-helixtrans-66.4-41.6176.8-67.5-179.6000111.6I24 D442 C448 S449 V450 Y511 Y514I24-L446 HydrophobicContact CD1-CB 3.79Å; I24-L446 HydrophobicContact CG1-CB 3.65Å; I24-L446 HydrophobicContact CG1-CD1 3.92Å; I24-L446 HydrophobicContact CG1-CG 4.49Å; D442-L446 HydrophobicContact CB-CD1 4.38Å; D442-L446 HydrophobicContact CB-CG 4.44Å; D442-L446 PolarHBondContact O-N 3Å; L446-C448 VanDerWaalsContact C-N 3.35Å; L446-C448 PolarHBondContact O-N 3.2Å; L446-S449 WeakPolarHBondContact O-CB 3.25Å; L446-S449 PolarHBondContact O-N 3.11Å; L446-S449 VanDerWaalsContact O-N 3.08Å; L446-V450 WeakPolarHBondContact O-CG2 3.35Å; L446-V450 PolarHBondContact O-N 3.5Å; L446-Y511 HydrophobicContact CD1-CD1 4.21Å; L446-Y511 HydrophobicContact CD1-CE1 3.65Å; L446-Y511 HydrophobicContact CD1-CE2 4.14Å; L446-Y511 HydrophobicContact CD2-CD1 4.1Å; L446-Y511 HydrophobicContact CD2-CD2 3.83Å; L446-Y511 HydrophobicContact CD2-CE1 4.3Å; L446-Y511 HydrophobicContact CD2-CE2 4.04Å; L446-Y511 HydrophobicContact CD2-CG 3.85Å; L446-Y511 HydrophobicContact CG-CE1 4.49Å; L446-Y511 HydrophobicContact CG-CE2 4.26Å; L446-Y514 HydrophobicContact CD2-CD2 4.3Å
447G93.9Very high93.7Very high9 Ų937.4 Ų37.49%0.09318%0.183CC..Hα-helixtrans-56-47.817600000111.9R443 F444 S449 V450 V451R443-G447 WeakPolarHBondContact O-CA 3.26Å; R443-G447 PolarHBondContact O-N 3.22Å; F444-G447 PolarHBondContact O-N 3.31Å; G447-S449 VanDerWaalsContact C-N 3.3Å; G447-S449 PolarHBondContact O-N 3.46Å; G447-V450 PolarHBondContact O-N 2.66Å; G447-V451 WeakPolarHBondContact O-CB 3.23Å; G447-V451 WeakPolarHBondContact O-CG2 3.31Å; G447-V451 PolarHBondContact O-N 3.45Å
448C95.2Very high93.7Very high53 Ų5335 Ų3536%0.35818%0.176SC..Hα-helixtrans-58.5-41.5175-70.80000112.3F444 F445 L446 V451 L452F444-C448 PolarHBondContact O-N 2.92Å; F444-C448 PolarHBondContact O-SG 3.33Å; F445-C448 PolarHBondContact O-N 3.49Å; L446-C448 VanDerWaalsContact C-N 3.35Å; L446-C448 PolarHBondContact O-N 3.2Å; C448-V451 PolarHBondContact O-N 3.26Å; C448-L452 WeakPolarHBondContact O-CB 3.47Å; C448-L452 VanDerWaalsContact O-CG 3.26Å; C448-L452 WeakPolarHBondContact O-CG 3.12Å; C448-L452 PolarHBondContact O-N 3.36Å
449S95.6Very high93.6Very high15 Ų1536.7 Ų36.711%0.10519%0.188CC..Hα-helixtrans-64.2-44.4179.4-61.10000112F445 L446 G447 L452 G453 P518F445-S449 PolarHBondContact O-N 3.27Å; F445-S449 PolarHBondContact O-OG 3.49Å; L446-S449 WeakPolarHBondContact O-CB 3.25Å; L446-S449 PolarHBondContact O-N 3.11Å; L446-S449 VanDerWaalsContact O-N 3.08Å; G447-S449 VanDerWaalsContact C-N 3.3Å; G447-S449 PolarHBondContact O-N 3.46Å; S449-L452 PolarHBondContact O-N 3.48Å; S449-G453 PolarHBondContact O-N 2.85Å; S449-P518 VanDerWaalsContact O-CG 3.23Å; S449-P518 WeakPolarHBondContact O-CG 3.17Å
450V95.4Very high93.7Very high4 Ų436.4 Ų36.42%0.02419%0.186CC..Hα-helixtrans-67.2-42.9177.7172.20000111.4F17 I24 L446 G447 L452 G453 F454 Y514 F878F17-V450 HydrophobicContact CD1-CG1 4.2Å; I24-V450 HydrophobicContact CD1-CB 4.47Å; I24-V450 HydrophobicContact CD1-CG2 3.79Å; L446-V450 WeakPolarHBondContact O-CG2 3.35Å; L446-V450 PolarHBondContact O-N 3.5Å; G447-V450 PolarHBondContact O-N 2.66Å; V450-L452 VanDerWaalsContact C-N 3.35Å; V450-L452 PolarHBondContact O-N 3.34Å; V450-G453 CarbonylContact O-C 3.53Å; V450-G453 VanDerWaalsContact O-CA 3.29Å; V450-G453 WeakPolarHBondContact O-CA 3.34Å; V450-G453 PolarHBondContact O-N 2.91Å; V450-F454 HydrophobicContact CG1-CD2 3.78Å; V450-F454 HydrophobicContact CG1-CE2 3.75Å; V450-F454 PolarHBondContact O-N 3Å; V450-Y514 HydrophobicContact CG2-CG 4.44Å; V450-F878 HydrophobicContact CB-CE2 4.43Å; V450-F878 HydrophobicContact CB-CZ 4.17Å; V450-F878 HydrophobicContact CG1-CD2 4.36Å; V450-F878 HydrophobicContact CG1-CE2 3.86Å; V450-F878 HydrophobicContact CG1-CZ 4.01Å
451V96.3Very high93.6Very high25 Ų2534.7 Ų34.715%0.15218%0.176CC..Hα-helixtrans-61.1-42.9176172.20000111G447 C448 G453 F454 I455 L875 F878 F879G447-V451 WeakPolarHBondContact O-CB 3.23Å; G447-V451 WeakPolarHBondContact O-CG2 3.31Å; G447-V451 PolarHBondContact O-N 3.45Å; C448-V451 PolarHBondContact O-N 3.26Å; V451-G453 PolarHBondContact O-N 2.84Å; V451-F454 PolarHBondContact O-N 2.9Å; V451-I455 HydrophobicContact CG1-CD1 3.73Å; V451-I455 HydrophobicContact CG1-CG1 4.33Å; V451-I455 WeakPolarHBondContact O-CG1 3.47Å; V451-I455 PolarHBondContact O-N 2.61Å; V451-L875 HydrophobicContact CG1-CD1 4.48Å; V451-L875 HydrophobicContact CG2-CD1 4.06Å; V451-F878 HydrophobicContact CG2-CD1 4.34Å; V451-F878 HydrophobicContact CG2-CE1 4.05Å; V451-F879 HydrophobicContact CG1-CZ 4.38Å; V451-F879 HydrophobicContact CG2-CE1 3.99Å; V451-F879 HydrophobicContact CG2-CE2 4.17Å; V451-F879 HydrophobicContact CG2-CZ 3.4Å; V451-F879 VanDerWaalsContact CG2-CZ 3.4Å
452L96.3Very high93.4Very high88 Ų8836 Ų3646%0.46119%0.185SC..Hα-helixtrans-60.3-35.3172.4-76.2171.8000112C448 S449 V450 G456 P518 W522C448-L452 WeakPolarHBondContact O-CB 3.47Å; C448-L452 VanDerWaalsContact O-CG 3.26Å; C448-L452 WeakPolarHBondContact O-CG 3.12Å; C448-L452 PolarHBondContact O-N 3.36Å; S449-L452 PolarHBondContact O-N 3.48Å; V450-L452 VanDerWaalsContact C-N 3.35Å; V450-L452 PolarHBondContact O-N 3.34Å; L452-G456 PolarHBondContact O-N 3.01Å; L452-P518 HydrophobicContact CB-CB 4.31Å; L452-P518 HydrophobicContact CB-CG 4.3Å; L452-W522 PolarHBondContact O-NE1 3.5Å
453G95.5Very high93.2Very high0 Ų035.3 Ų35.30%018%0.181CC..Hα-helixtrans-62.7-52.3171.700000112.5F17 S449 V450 V451 G456 W457F17-G453 VanDerWaalsContact CZ-C 3.4Å; S449-G453 PolarHBondContact O-N 2.85Å; V450-G453 CarbonylContact O-C 3.53Å; V450-G453 VanDerWaalsContact O-CA 3.29Å; V450-G453 WeakPolarHBondContact O-CA 3.34Å; V450-G453 PolarHBondContact O-N 2.91Å; V451-G453 PolarHBondContact O-N 2.84Å; G453-G456 PolarHBondContact O-N 2.88Å; G453-W457 WeakPolarHBondContact O-CB 3.44Å; G453-W457 PolarHBondContact O-N 3.44Å
454F94.3Very high92.8Very high0 Ų034 Ų340%018%0.179CC..Hα-helixtrans-56.8-54.2177.3-90.5-77.2000111.2F17 V450 V451 G456 W457 T458 A874 L875 Y897 M901F17-F454 HydrophobicContact CB-CE1 4.32Å; F17-F454 HydrophobicContact CB-CE2 3.82Å; F17-F454 HydrophobicContact CB-CZ 3.58Å; F17-F454 HydrophobicContact CD1-CD2 4.01Å; F17-F454 AromaticContact CD1-CE2 3.87Å; F17-F454 HydrophobicContact CD1-CE2 3.87Å; F17-F454 HydrophobicContact CD1-CZ 4.28Å; F17-F454 AromaticContact CD2-CD1 3.77Å; F17-F454 HydrophobicContact CD2-CD1 3.77Å; F17-F454 HydrophobicContact CD2-CD2 4.23Å; F17-F454 AromaticContact CD2-CE1 3.43Å; F17-F454 HydrophobicContact CD2-CE1 3.43Å; F17-F454 VanDerWaalsContact CD2-CE1 3.43Å; F17-F454 AromaticContact CD2-CE2 3.94Å; F17-F454 HydrophobicContact CD2-CE2 3.94Å; F17-F454 HydrophobicContact CD2-CG 4.16Å; F17-F454 AromaticContact CD2-CZ 3.54Å; F17-F454 HydrophobicContact CD2-CZ 3.54Å; F17-F454 HydrophobicContact CE1-CD2 4.12Å; F17-F454 HydrophobicContact CE1-CE2 4.43Å; F17-F454 HydrophobicContact CE1-CG 4.34Å; F17-F454 AromaticContact CE2-CD1 3.67Å; F17-F454 HydrophobicContact CE2-CD1 3.67Å; F17-F454 HydrophobicContact CE2-CD2 4.32Å; F17-F454 AromaticContact CE2-CE1 3.86Å; F17-F454 HydrophobicContact CE2-CE1 3.86Å; F17-F454 HydrophobicContact CE2-CE2 4.48Å; F17-F454 AromaticContact CE2-CG 3.93Å; F17-F454 HydrophobicContact CE2-CG 3.93Å; F17-F454 HydrophobicContact CE2-CZ 4.27Å; F17-F454 HydrophobicContact CG-CD1 4.41Å; F17-F454 HydrophobicContact CG-CD2 4.09Å; F17-F454 AromaticContact CG-CE1 3.97Å; F17-F454 HydrophobicContact CG-CE1 3.97Å; F17-F454 AromaticContact CG-CE2 3.61Å; F17-F454 HydrophobicContact CG-CE2 3.61Å; F17-F454 HydrophobicContact CG-CG 4.47Å; F17-F454 AromaticContact CG-CZ 3.55Å; F17-F454 HydrophobicContact CG-CZ 3.55Å; F17-F454 HydrophobicContact CZ-CB 4.41Å; F17-F454 HydrophobicContact CZ-CD1 4.27Å; F17-F454 HydrophobicContact CZ-CD2 4.29Å; F17-F454 HydrophobicContact CZ-CG 4.05Å; V450-F454 HydrophobicContact CG1-CD2 3.78Å; V450-F454 HydrophobicContact CG1-CE2 3.75Å; V450-F454 PolarHBondContact O-N 3Å; V451-F454 PolarHBondContact O-N 2.9Å; F454-G456 VanDerWaalsContact C-N 3.31Å; F454-G456 PolarHBondContact O-N 2.84Å; F454-W457 PolarHBondContact O-N 3.06Å; F454-T458 WeakPolarHBondContact O-CB 3.23Å; F454-T458 PolarHBondContact O-N 3.02Å; F454-T458 PolarHBondContact O-OG1 3.26Å; F454-T458 VanDerWaalsContact O-OG1 3.05Å; F454-A874 HydrophobicContact CE1-CB 3.98Å; F454-A874 HydrophobicContact CZ-CB 4.29Å; F454-L875 HydrophobicContact CB-CD1 4.07Å; F454-L875 HydrophobicContact CB-CD2 4.42Å; F454-L875 HydrophobicContact CD1-CB 4.4Å; F454-L875 HydrophobicContact CD2-CD1 4.01Å; F454-L875 HydrophobicContact CG-CB 4.48Å; F454-L875 HydrophobicContact CG-CD1 4.08Å; F454-Y897 HydrophobicContact CZ-CE2 4.47Å; F454-M901 HydrophobicContact CE1-SD 4.4Å; F454-M901 HydrophobicContact CZ-SD 4.22Å
455I95.3Very high92.4Very high74 Ų7426.9 Ų26.938%0.37915%0.148SC..Hα-helixtrans-59.2-44.3-179.6-65.2170.8000110.5V451 S459 W522V451-I455 HydrophobicContact CG1-CD1 3.73Å; V451-I455 HydrophobicContact CG1-CG1 4.33Å; V451-I455 WeakPolarHBondContact O-CG1 3.47Å; V451-I455 PolarHBondContact O-N 2.61Å; I455-S459 WeakPolarHBondContact O-CB 3.34Å; I455-S459 PolarHBondContact O-N 2.63Å; I455-S459 PolarHBondContact O-OG 3.48Å; I455-W522 HydrophobicContact CB-CZ2 4.46Å; I455-W522 HydrophobicContact CG2-CH2 4.23Å; I455-W522 HydrophobicContact CG2-CZ2 3.91Å
456G94.4Very high91.7Very high0 Ų025.2 Ų25.20%014%0.143CC..Hα-helixtrans-62.4-43.7178.200000112.5L452 G453 F454 Y460 W522L452-G456 PolarHBondContact O-N 3.01Å; G453-G456 PolarHBondContact O-N 2.88Å; F454-G456 VanDerWaalsContact C-N 3.31Å; F454-G456 PolarHBondContact O-N 2.84Å; G456-Y460 WeakPolarHBondContact O-CB 3.37Å; G456-Y460 PolarHBondContact O-N 2.89Å; G456-W522 VanDerWaalsContact CA-CE2 3.49Å
457W94.5Very high90.9Very high8 Ų830.6 Ų30.63%0.0316%0.163CC..Hα-helixtrans-68.1-50.3-178.8173.7-100.9000111.1F6 G10 V13 H14 F17 G453 F454 S459 Y460 V461 V521 L867 D871F6-W457 HydrophobicContact CE2-CH2 4.26Å; F6-W457 HydrophobicContact CZ-CH2 4.22Å; F6-W457 HydrophobicContact CZ-CZ2 4.31Å; G10-W457 VanDerWaalsContact CA-CZ2 3.46Å; V13-W457 HydrophobicContact CB-CD2 4.44Å; V13-W457 HydrophobicContact CB-CE3 4.32Å; V13-W457 HydrophobicContact CG1-CB 4.22Å; V13-W457 HydrophobicContact CG1-CD2 3.95Å; V13-W457 HydrophobicContact CG1-CE3 4.17Å; V13-W457 HydrophobicContact CG1-CG 3.94Å; V13-W457 HydrophobicContact CG2-CD2 4.45Å; V13-W457 HydrophobicContact CG2-CE3 3.86Å; V13-W457 HydrophobicContact CG2-CZ3 4.06Å; H14-W457 AromaticContact CE1-CE2 3.91Å; H14-W457 AromaticContact CE1-NE1 3.36Å; H14-W457 PolarHBondContact CE1-NE1 3.15Å; F17-W457 HydrophobicContact CE2-CB 4.41Å; F17-W457 HydrophobicContact CZ-CB 4.31Å; G453-W457 WeakPolarHBondContact O-CB 3.44Å; G453-W457 PolarHBondContact O-N 3.44Å; F454-W457 PolarHBondContact O-N 3.06Å; W457-S459 VanDerWaalsContact C-N 3.27Å; W457-S459 PolarHBondContact O-N 2.82Å; W457-Y460 HydrophobicContact CE3-CD1 4.27Å; W457-Y460 HydrophobicContact CZ3-CD1 4.11Å; W457-Y460 HydrophobicContact CZ3-CE1 4.36Å; W457-Y460 WeakPolarHBondContact O-CB 3.48Å; W457-Y460 PolarHBondContact O-N 3.25Å; W457-Y460 VanDerWaalsContact O-N 3.1Å; W457-V461 HydrophobicContact CD2-CG2 4.28Å; W457-V461 HydrophobicContact CZ2-CG2 3.95Å; W457-V461 WeakPolarHBondContact O-CG2 3.37Å; W457-V461 PolarHBondContact O-N 3.22Å; W457-V521 HydrophobicContact CB-CG1 4.01Å; W457-L867 HydrophobicContact CZ2-CD2 4.29Å; W457-D871 PolarHBondContact NE1-OD2 3.43Å
458T93.1Very high89.9Confident18 Ų1834 Ų3411%0.1118%0.182CC..Hα-helixtrans-59.8-40.3176.9-53.70000111F454 Y460 V461 I462 V868F454-T458 WeakPolarHBondContact O-CB 3.23Å; F454-T458 PolarHBondContact O-N 3.02Å; F454-T458 PolarHBondContact O-OG1 3.26Å; F454-T458 VanDerWaalsContact O-OG1 3.05Å; T458-Y460 PolarHBondContact O-N 2.8Å; T458-V461 PolarHBondContact O-N 3.02Å; T458-I462 HydrophobicContact CG2-CD1 4.03Å; T458-I462 VanDerWaalsContact O-CG1 3.28Å; T458-I462 WeakPolarHBondContact O-CG1 3.41Å; T458-I462 PolarHBondContact O-N 2.96Å; T458-V868 HydrophobicContact CG2-CB 4.47Å; T458-V868 HydrophobicContact CG2-CG1 3.91Å; T458-V868 HydrophobicContact CG2-CG2 4.28Å
459S91.3Very high88.8Confident40 Ų4033 Ų3328%0.2817%0.172SC..Hα-helixtrans-61.4-44.7174.3-62.40000112I455 W457 I462 L463I455-S459 WeakPolarHBondContact O-CB 3.34Å; I455-S459 PolarHBondContact O-N 2.63Å; I455-S459 PolarHBondContact O-OG 3.48Å; W457-S459 VanDerWaalsContact C-N 3.27Å; W457-S459 PolarHBondContact O-N 2.82Å; S459-I462 PolarHBondContact O-N 2.89Å; S459-L463 VanDerWaalsContact O-CG 3.27Å; S459-L463 WeakPolarHBondContact O-CG 3.32Å; S459-L463 PolarHBondContact O-N 3.47Å
460Y91Very high87.6Confident24 Ų2433.1 Ų33.19%0.09417%0.174CC..Hα-helixtrans-60.9-44.9175.8174.3-119.6000111.9F6 G456 W457 T458 I462 L463 V464 E528F6-Y460 HydrophobicContact CD2-CE1 4.12Å; F6-Y460 HydrophobicContact CE2-CD1 4.36Å; F6-Y460 AromaticContact CE2-CE1 3.72Å; F6-Y460 HydrophobicContact CE2-CE1 3.72Å; G456-Y460 WeakPolarHBondContact O-CB 3.37Å; G456-Y460 PolarHBondContact O-N 2.89Å; W457-Y460 HydrophobicContact CE3-CD1 4.27Å; W457-Y460 HydrophobicContact CZ3-CD1 4.11Å; W457-Y460 HydrophobicContact CZ3-CE1 4.36Å; W457-Y460 WeakPolarHBondContact O-CB 3.48Å; W457-Y460 PolarHBondContact O-N 3.25Å; W457-Y460 VanDerWaalsContact O-N 3.1Å; T458-Y460 PolarHBondContact O-N 2.8Å; Y460-I462 PolarHBondContact O-N 2.89Å; Y460-L463 PolarHBondContact O-N 2.92Å; Y460-V464 HydrophobicContact CD2-CG2 4.2Å; Y460-V464 HydrophobicContact CE1-CG2 4.38Å; Y460-V464 HydrophobicContact CE2-CG2 3.79Å; Y460-V464 WeakPolarHBondContact O-CG2 3.36Å; Y460-V464 PolarHBondContact O-N 2.9Å; Y460-E528 HydrophobicContact CE2-CG 4.31Å
461V90.2Very high85.9Confident0 Ų037.3 Ų37.30%020%0.204CC..Hα-helixtrans-60.4-46.1176.8175.50000111.1F6 W457 T458 L463 V464 I465 L864 L867 V868F6-V461 HydrophobicContact CZ-CG2 4.25Å; W457-V461 HydrophobicContact CD2-CG2 4.28Å; W457-V461 HydrophobicContact CZ2-CG2 3.95Å; W457-V461 WeakPolarHBondContact O-CG2 3.37Å; W457-V461 PolarHBondContact O-N 3.22Å; T458-V461 PolarHBondContact O-N 3.02Å; V461-L463 VanDerWaalsContact C-N 3.35Å; V461-L463 PolarHBondContact O-N 3.3Å; V461-V464 PolarHBondContact O-N 3.43Å; V461-I465 HydrophobicContact CG1-CD1 4.16Å; V461-I465 WeakPolarHBondContact O-CG1 3.34Å; V461-I465 PolarHBondContact O-N 3.37Å; V461-L864 HydrophobicContact CG1-CB 4.14Å; V461-L864 HydrophobicContact CG1-CD2 4.05Å; V461-L867 HydrophobicContact CG1-CD2 4.23Å; V461-L867 HydrophobicContact CG2-CD2 3.96Å; V461-V868 HydrophobicContact CB-CG2 4.21Å; V461-V868 HydrophobicContact CG1-CG2 3.64Å
462I88.1Confident84.1Confident72 Ų7238.3 Ų38.337%0.36921%0.208SC..Hα-helixtrans-59.3-45.2176.8-69.9166.4000110.9T458 S459 Y460 V464 I465 L466 V868T458-I462 HydrophobicContact CG2-CD1 4.03Å; T458-I462 VanDerWaalsContact O-CG1 3.28Å; T458-I462 WeakPolarHBondContact O-CG1 3.41Å; T458-I462 PolarHBondContact O-N 2.96Å; S459-I462 PolarHBondContact O-N 2.89Å; Y460-I462 PolarHBondContact O-N 2.89Å; I462-V464 VanDerWaalsContact C-N 3.32Å; I462-V464 PolarHBondContact O-N 3.37Å; I462-I465 WeakPolarHBondContact O-CB 3.37Å; I462-I465 PolarHBondContact O-N 3.01Å; I462-L466 HydrophobicContact CG2-CD1 4Å; I462-L466 HydrophobicContact CG2-CG 4.37Å; I462-L466 WeakPolarHBondContact O-CG 3.12Å; I462-L466 PolarHBondContact O-N 2.87Å; I462-V868 HydrophobicContact CD1-CG1 4.29Å; I462-V868 HydrophobicContact CG1-CG1 4.32Å; I462-V868 HydrophobicContact CG1-CG2 3.92Å
463L85.8Confident82Confident18 Ų1836.6 Ų36.69%0.09420%0.199CC..Hα-helixtrans-62.5-38.5177.6-69.9169.6000112S459 Y460 V461 L466 R467 A525 E528 A531 L532S459-L463 VanDerWaalsContact O-CG 3.27Å; S459-L463 WeakPolarHBondContact O-CG 3.32Å; S459-L463 PolarHBondContact O-N 3.47Å; Y460-L463 PolarHBondContact O-N 2.92Å; V461-L463 VanDerWaalsContact C-N 3.35Å; V461-L463 PolarHBondContact O-N 3.3Å; L463-L466 PolarHBondContact O-N 3.21Å; L463-R467 VanDerWaalsContact O-CB 3.3Å; L463-R467 WeakPolarHBondContact O-CB 3.21Å; L463-R467 PolarHBondContact O-N 2.95Å; L463-A525 HydrophobicContact CD1-CB 4.31Å; L463-A525 WeakPolarHBondContact CD1-O 3.43Å; L463-E528 HydrophobicContact CB-CB 4.14Å; L463-E528 HydrophobicContact CD1-CB 4.13Å; L463-A531 HydrophobicContact CD2-CB 4.33Å; L463-L532 HydrophobicContact CD2-CB 4.19Å
464V84.4Confident79.7Confident24 Ų2447.6 Ų47.615%0.14524%0.24CC..Hα-helixtrans-64-41.8174.4170.50000111.6Y460 V461 I462 R467 T468 L864Y460-V464 HydrophobicContact CD2-CG2 4.2Å; Y460-V464 HydrophobicContact CE1-CG2 4.38Å; Y460-V464 HydrophobicContact CE2-CG2 3.79Å; Y460-V464 WeakPolarHBondContact O-CG2 3.36Å; Y460-V464 PolarHBondContact O-N 2.9Å; V461-V464 PolarHBondContact O-N 3.43Å; I462-V464 VanDerWaalsContact C-N 3.32Å; I462-V464 PolarHBondContact O-N 3.37Å; V464-R467 PolarHBondContact O-N 2.97Å; V464-T468 VanDerWaalsContact O-CB 3.26Å; V464-T468 WeakPolarHBondContact O-CB 3.45Å; V464-T468 PolarHBondContact O-N 3.45Å; V464-T468 PolarHBondContact O-OG1 2.86Å; V464-L864 HydrophobicContact CG1-CD1 4.19Å
465I83.8Confident77.3Confident20 Ų2054.7 Ų54.710%0.10327%0.273CS..Hα-helixtrans-60.1-51.8175.1-66.6167.4000110V461 I462 R467 T468 H469 A470 L781 L864 I865 V868V461-I465 HydrophobicContact CG1-CD1 4.16Å; V461-I465 WeakPolarHBondContact O-CG1 3.34Å; V461-I465 PolarHBondContact O-N 3.37Å; I462-I465 WeakPolarHBondContact O-CB 3.37Å; I462-I465 PolarHBondContact O-N 3.01Å; I465-R467 VanDerWaalsContact C-N 3.32Å; I465-R467 PolarHBondContact O-N 3.2Å; I465-T468 PolarHBondContact O-N 3.45Å; I465-H469 WeakPolarHBondContact O-CA 3.42Å; I465-H469 WeakPolarHBondContact O-CB 3.32Å; I465-H469 PolarHBondContact O-N 3.32Å; I465-A470 PolarHBondContact O-N 2.86Å; I465-L781 HydrophobicContact CG2-CD1 3.57Å; I465-L864 HydrophobicContact CD1-CB 3.69Å; I465-L864 HydrophobicContact CG1-CB 3.58Å; I465-L864 HydrophobicContact CG1-CD1 3.94Å; I465-L864 HydrophobicContact CG1-CG 4.4Å; I465-I865 HydrophobicContact CD1-CG1 4.12Å; I465-V868 HydrophobicContact CD1-CG2 4.29Å
466L78.4Confident74.7Confident37 Ų3756.5 Ų56.519%0.19429%0.289CS..Hα-helixtrans-60.1-42.5-178.8-69.7173.6000111.6I462 L463 A470 L472 L535I462-L466 HydrophobicContact CG2-CD1 4Å; I462-L466 HydrophobicContact CG2-CG 4.37Å; I462-L466 WeakPolarHBondContact O-CG 3.12Å; I462-L466 PolarHBondContact O-N 2.87Å; L463-L466 PolarHBondContact O-N 3.21Å; L466-A470 HydrophobicContact CD2-CB 4.23Å; L466-A470 WeakPolarHBondContact O-CB 3.02Å; L466-A470 PolarHBondContact O-N 3.38Å; L466-L472 HydrophobicContact CD2-CD1 3.95Å; L466-L535 HydrophobicContact CD1-CD2 3.99Å
467R75.8Confident72.1Confident114 Ų11463 Ų6343%0.4332%0.324SS..Hα-helixtrans-70.9-41-178.4-178.3176.1-179.6-177.55.6113.6L463 V464 I465 I473 E528 A531L463-R467 VanDerWaalsContact O-CB 3.3Å; L463-R467 WeakPolarHBondContact O-CB 3.21Å; L463-R467 PolarHBondContact O-N 2.95Å; V464-R467 PolarHBondContact O-N 2.97Å; I465-R467 VanDerWaalsContact C-N 3.32Å; I465-R467 PolarHBondContact O-N 3.2Å; R467-I473 HydrophobicContact CB-CD1 4.08Å; R467-I473 HydrophobicContact CG-CD1 3.78Å; R467-E528 WeakPolarHBondContact CD-OE2 3.48Å; R467-E528 IonicContact CZ-OE2 2.59Å; R467-E528 IonicContact NE-OE2 2.84Å; R467-E528 IonicContact NH1-OE1 3.58Å; R467-E528 PolarHBondContact NH1-OE1 3.4Å; R467-E528 IonicContact NH1-OE2 3.41Å; R467-E528 PolarHBondContact NH1-OE2 3.42Å; R467-A531 HydrophobicContact CB-CB 4.47Å
468T73Confident69.6Low79 Ų7970.7 Ų70.749%0.48537%0.365SS..Hα-helixtrans-96.3-26.2-167.4-440000112.4V464 I465V464-T468 VanDerWaalsContact O-CB 3.26Å; V464-T468 WeakPolarHBondContact O-CB 3.45Å; V464-T468 PolarHBondContact O-N 3.45Å; V464-T468 PolarHBondContact O-OG1 2.86Å; I465-T468 PolarHBondContact O-N 3.45Å
469H72.8Confident67.1Low32 Ų3273.3 Ų73.315%0.14839%0.388CS..Hα-helixtrans-134-7.3-164.8-60.9-59.8000114.8I465 Q780 L781I465-H469 WeakPolarHBondContact O-CA 3.42Å; I465-H469 WeakPolarHBondContact O-CB 3.32Å; I465-H469 PolarHBondContact O-N 3.32Å; H469-Q780 PolarHBondContact O-OE1 3.3Å; H469-L781 HydrophobicContact CB-CD1 3.55Å; H469-L781 HydrophobicContact CB-CG 3.92Å; H469-L781 WeakPolarHBondContact O-CB 3.44Å; H469-L781 PolarHBondContact O-N 3.11Å
470A69.6Low64.9Low18 Ų1880.3 Ų80.315%0.14941%0.414CS..SBendtrans-100.9143.817100000111.4I465 L466 L472 Q780I465-A470 PolarHBondContact O-N 2.86Å; L466-A470 HydrophobicContact CD2-CB 4.23Å; L466-A470 WeakPolarHBondContact O-CB 3.02Å; L466-A470 PolarHBondContact O-N 3.38Å; A470-L472 HydrophobicContact CB-CD1 4.01Å; A470-L472 HydrophobicContact CB-CG 4.48Å; A470-L472 PolarHBondContact O-N 3.02Å; A470-Q780 PolarHBondContact O-OE1 3.19Å
471S59.9Low63Low93 Ų9383.7 Ų83.765%0.6543%0.43SS*.THydrogen-bonded Turntrans-74.413-178.155.70000114.5I473 Q780S471-I473 VanDerWaalsContact C-N 3.34Å; S471-I473 PolarHBondContact O-N 3.21Å; S471-Q780 VanDerWaalsContact N-OE1 3.17Å
472L58Low61.2Low46 Ų4690.1 Ų90.124%0.24147%0.465CS..THydrogen-bonded Turntrans-75-22.1-173.9-75156.4000112.9L466 A470 L535 S538 L542L466-L472 HydrophobicContact CD2-CD1 3.95Å; A470-L472 HydrophobicContact CB-CD1 4.01Å; A470-L472 HydrophobicContact CB-CG 4.48Å; A470-L472 PolarHBondContact O-N 3.02Å; L472-L535 HydrophobicContact CD1-CD1 3.84Å; L472-S538 VanDerWaalsContact CD2-OG 3.23Å; L472-S538 WeakPolarHBondContact CD2-OG 3.46Å; L472-L542 HydrophobicContact CD2-CD1 4.01Å; L472-L542 HydrophobicContact CD2-CD2 4.07Å; L472-L542 HydrophobicContact CD2-CG 4.24Å
473I53.1Low59.8Low52 Ų5290.4 Ų90.427%0.26747%0.471SS..  trans-96.8101.2179.2-56.3-177.3000109.3R467 S471 H475R467-I473 HydrophobicContact CB-CD1 4.08Å; R467-I473 HydrophobicContact CG-CD1 3.78Å; S471-I473 VanDerWaalsContact C-N 3.34Å; S471-I473 PolarHBondContact O-N 3.21Å; I473-H475 VanDerWaalsContact C-N 3.3Å; I473-H475 WeakPolarHBondContact CG2-O 3.39Å; I473-H475 PolarHBondContact O-N 3.2Å
474R46.1Very low59.2Low230 Ų23094 Ų9487%0.86849%0.49SS*.SBendtrans-73.6-9.4-177.2-103.6-177.9-179.7178.70.5115.7
475H43.7Very low58.9Low149 Ų14998.4 Ų98.469%0.6951%0.51SS*.  trans-150.7121.9169.5-74-74.8000109.8I473 N477I473-H475 VanDerWaalsContact C-N 3.3Å; I473-H475 WeakPolarHBondContact CG2-O 3.39Å; I473-H475 PolarHBondContact O-N 3.2Å; H475-N477 PolarHBondContact O-N 2.85Å
476P41.8Very low59Low112 Ų112102.9 Ų102.973%0.72753%0.533SS*.  trans-74.578.816332.4-28.7000106.3L478P476-L478 PolarHBondContact O-N 3.03Å
477N39.3Very low59.4Low137 Ų137102.5 Ų102.573%0.73353%0.531SS*.  trans-63.1101.9159-93.2-9.3000105.5H475 A479H475-N477 PolarHBondContact O-N 2.85Å; N477-A479 HydrophobicContact CB-CB 4.29Å; N477-A479 PolarHBondContact O-N 2.82Å
478L42.7Very low60Low170 Ų17098.5 Ų98.589%0.8952%0.523SS*.  trans-60.828.1160.9-75.2154.4000111.2P476 K480P476-L478 PolarHBondContact O-N 3.03Å; L478-K480 PolarHBondContact O-N 3.18Å
479A39.2Very low60.8Low72 Ų72102.4 Ų102.460%0.59553%0.529SS*.  trans-65.6110165.700000105.5N477 Q481N477-A479 HydrophobicContact CB-CB 4.29Å; N477-A479 PolarHBondContact O-N 2.82Å; A479-Q481 PolarHBondContact O-N 3.1Å
480K46.4Very low61.8Low188 Ų188107.2 Ų107.282%0.81755%0.55SS*.  trans-35104.9166.9-74.2170.7174.8174.40108.4L478 N482L478-K480 PolarHBondContact O-N 3.18Å; K480-N482 PolarHBondContact O-N 3.5Å
481Q51.1Low62.9Low94 Ų94107.1 Ų107.144%0.43955%0.548SS..  trans-61.2101.9161.4-90.5-177.2-26.400104.7A479A479-Q481 PolarHBondContact O-N 3.1Å
482N52.2Low64.5Low136 Ų136106.9 Ų106.973%0.72754%0.542SS*.  trans-53.5130.7171.5-78.8-25.9000106.7K480 N484K480-N482 PolarHBondContact O-N 3.5Å; N482-N484 PolarHBondContact O-N 2.65Å
483P59.1Low66.3Low77 Ų77107 Ų10750%0.555%0.55SS.*  trans-53.4120.2175.221.5-30.3000107Q485P483-Q485 PolarHBondContact O-N 2.82Å
484N72Confident68.3Low93 Ų93107 Ų10750%0.49755%0.552SS.*  trans-66.790.2175.9-176.7-6.7000106.9N482 N486 L487 A488N482-N484 PolarHBondContact O-N 2.65Å; N484-N486 PolarHBondContact O-N 3.39Å; N484-N486 VanDerWaalsContact O-N 3.15Å; N484-N486 WeakPolarHBondContact OD1-CB 3.5Å; N484-N486 PolarHBondContact OD1-N 3.44Å; N484-L487 HydrophobicContact CB-CB 3.99Å; N484-L487 WeakPolarHBondContact O-CB 3.31Å; N484-L487 PolarHBondContact O-N 3.27Å; N484-L487 PolarHBondContact OD1-N 2.75Å; N484-A488 PolarHBondContact O-N 3.22Å
485Q78.6Confident70.7Confident118 Ų11897.2 Ų97.255%0.55152%0.52SS*.Hα-helixtrans-59.4-28.6-174.5-66.2-175.6-2.200111P483 A488 R489P483-Q485 PolarHBondContact O-N 2.82Å; Q485-A488 PolarHBondContact O-N 3.32Å; Q485-R489 WeakPolarHBondContact O-CB 3.36Å; Q485-R489 WeakPolarHBondContact O-CG 3.01Å; Q485-R489 PolarHBondContact O-N 3.21Å
486N85.7Confident73.2Confident113 Ų11395.5 Ų95.560%0.60452%0.516SS*.Hα-helixtrans-68.9-42.5176-64-16.2000111.7N484 R489 F490N484-N486 PolarHBondContact O-N 3.39Å; N484-N486 VanDerWaalsContact O-N 3.15Å; N484-N486 WeakPolarHBondContact OD1-CB 3.5Å; N484-N486 PolarHBondContact OD1-N 3.44Å; N486-R489 PolarHBondContact O-N 3.05Å; N486-F490 WeakPolarHBondContact O-CB 3.2Å; N486-F490 PolarHBondContact O-N 3.38Å
487L87.5Confident75.8Confident29 Ų2994.9 Ų94.915%0.15251%0.51CS..Hα-helixtrans-63.9-43174.5-179.365000111.2N484 F490 C491 Y523 L526N484-L487 HydrophobicContact CB-CB 3.99Å; N484-L487 WeakPolarHBondContact O-CB 3.31Å; N484-L487 PolarHBondContact O-N 3.27Å; N484-L487 PolarHBondContact OD1-N 2.75Å; L487-F490 PolarHBondContact O-N 2.92Å; L487-C491 PolarHBondContact O-N 3.12Å; L487-C491 PolarHBondContact O-SG 3.24Å; L487-C491 VanDerWaalsContact O-SG 3.35Å; L487-Y523 HydrophobicContact CD2-CD2 4.08Å; L487-Y523 HydrophobicContact CD2-CE2 4.25Å; L487-Y523 HydrophobicContact CG-CD2 3.99Å; L487-Y523 HydrophobicContact CG-CE2 4.24Å; L487-L526 HydrophobicContact CD1-CB 4.4Å; L487-L526 HydrophobicContact CD1-CD1 4.08Å; L487-L526 HydrophobicContact CD2-CB 3.89Å
488A88.1Confident78.5Confident31 Ų3190.2 Ų90.226%0.25648%0.484SS..Hα-helixtrans-62.4-45.2176.500000111.9N484 Q485 F490 C491 V492 Y523N484-A488 PolarHBondContact O-N 3.22Å; Q485-A488 PolarHBondContact O-N 3.32Å; A488-F490 VanDerWaalsContact C-N 3.33Å; A488-F490 PolarHBondContact O-N 2.8Å; A488-C491 PolarHBondContact O-N 3.15Å; A488-V492 WeakPolarHBondContact O-CG2 3.34Å; A488-V492 PolarHBondContact O-N 3.4Å; A488-Y523 HydrophobicContact CB-CE2 3.99Å
489R90.9Very high81Confident161 Ų16184.5 Ų84.561%0.60846%0.457SS*.Hα-helixtrans-60.7-41.3174.9-73.8172.7-164.6173.66.2111.9Q485 N486 V492 A493Q485-R489 WeakPolarHBondContact O-CB 3.36Å; Q485-R489 WeakPolarHBondContact O-CG 3.01Å; Q485-R489 PolarHBondContact O-N 3.21Å; N486-R489 PolarHBondContact O-N 3.05Å; R489-V492 PolarHBondContact O-N 3.11Å; R489-A493 WeakPolarHBondContact O-CB 2.94Å; R489-A493 PolarHBondContact O-N 3.4Å
490F92.7Very high83.7Confident132 Ų13286 Ų8658%0.57945%0.454SS*.Hα-helixtrans-61.7-48.8175.5176.5-100.7000111.8N486 L487 A488 V492 A493 V494N486-F490 WeakPolarHBondContact O-CB 3.2Å; N486-F490 PolarHBondContact O-N 3.38Å; L487-F490 PolarHBondContact O-N 2.92Å; A488-F490 VanDerWaalsContact C-N 3.33Å; A488-F490 PolarHBondContact O-N 2.8Å; F490-V492 VanDerWaalsContact C-N 3.32Å; F490-V492 PolarHBondContact O-N 2.78Å; F490-A493 WeakPolarHBondContact O-CB 3.42Å; F490-A493 PolarHBondContact O-N 2.86Å; F490-A493 VanDerWaalsContact O-N 3.16Å; F490-V494 HydrophobicContact CD1-CG2 4.27Å; F490-V494 HydrophobicContact CD2-CG2 4.47Å; F490-V494 HydrophobicContact CE1-CG2 3.83Å; F490-V494 HydrophobicContact CE2-CG2 4.06Å; F490-V494 HydrophobicContact CZ-CG2 3.72Å; F490-V494 WeakPolarHBondContact O-CG2 3.23Å; F490-V494 PolarHBondContact O-N 2.87Å
491C92.9Very high86Confident17 Ų1780 Ų8012%0.11543%0.428CS..Hα-helixtrans-60.9-39.9176.9-68.70000112.4L487 A488 V494 A495 V519L487-C491 PolarHBondContact O-N 3.12Å; L487-C491 PolarHBondContact O-SG 3.24Å; L487-C491 VanDerWaalsContact O-SG 3.35Å; A488-C491 PolarHBondContact O-N 3.15Å; C491-V494 PolarHBondContact O-N 2.86Å; C491-A495 WeakPolarHBondContact O-CB 3.46Å; C491-A495 PolarHBondContact O-N 3.46Å; C491-V519 HydrophobicContact CB-CG1 3.82Å; C491-V519 WeakPolarHBondContact O-CG1 3.31Å
492V94.1Very high88Confident88 Ų8875.5 Ų75.553%0.53341%0.407SS..Hα-helixtrans-63.5-43.7174.2171.30000111A488 R489 F490 V494 A495 L496A488-V492 WeakPolarHBondContact O-CG2 3.34Å; A488-V492 PolarHBondContact O-N 3.4Å; R489-V492 PolarHBondContact O-N 3.11Å; F490-V492 VanDerWaalsContact C-N 3.32Å; F490-V492 PolarHBondContact O-N 2.78Å; V492-V494 PolarHBondContact O-N 3.37Å; V492-A495 PolarHBondContact O-N 3.05Å; V492-L496 HydrophobicContact CG1-CD1 4.07Å; V492-L496 HydrophobicContact CG1-CG 4.44Å; V492-L496 VanDerWaalsContact O-CG 3.31Å; V492-L496 WeakPolarHBondContact O-CG 3.38Å; V492-L496 PolarHBondContact O-N 3.37Å
493A95.1Very high90Very high49 Ų4974.3 Ų74.341%0.40540%0.4SS..Hα-helixtrans-61.2-44.1176.300000111.8R489 F490 L496 V497R489-A493 WeakPolarHBondContact O-CB 2.94Å; R489-A493 PolarHBondContact O-N 3.4Å; F490-A493 WeakPolarHBondContact O-CB 3.42Å; F490-A493 PolarHBondContact O-N 2.86Å; F490-A493 VanDerWaalsContact O-N 3.16Å; A493-L496 PolarHBondContact O-N 2.88Å; A493-V497 WeakPolarHBondContact O-CG2 3.44Å; A493-V497 PolarHBondContact O-N 2.68Å
494V95.2Very high91.6Very high50 Ų5075.2 Ų75.230%0.30340%0.4SS..Hα-helixtrans-61-46.4175.1171.80000111.1F490 C491 V492 L496 V497 I498 V519F490-V494 HydrophobicContact CD1-CG2 4.27Å; F490-V494 HydrophobicContact CD2-CG2 4.47Å; F490-V494 HydrophobicContact CE1-CG2 3.83Å; F490-V494 HydrophobicContact CE2-CG2 4.06Å; F490-V494 HydrophobicContact CZ-CG2 3.72Å; F490-V494 WeakPolarHBondContact O-CG2 3.23Å; F490-V494 PolarHBondContact O-N 2.87Å; C491-V494 PolarHBondContact O-N 2.86Å; V492-V494 PolarHBondContact O-N 3.37Å; V494-L496 VanDerWaalsContact C-N 3.31Å; V494-L496 PolarHBondContact O-N 2.67Å; V494-V497 PolarHBondContact O-N 3.07Å; V494-I498 HydrophobicContact CG1-CD1 3.81Å; V494-I498 HydrophobicContact CG1-CG1 4.44Å; V494-I498 WeakPolarHBondContact O-CG1 3.23Å; V494-I498 PolarHBondContact O-N 3.2Å; V494-V519 HydrophobicContact CG1-CG2 4.12Å
495A95.8Very high92.5Very high25 Ų2571.6 Ų71.621%0.20738%0.38CS..Hα-helixtrans-60-40.7176.900000112.3C491 V492 I498 T499 L516 V519C491-A495 WeakPolarHBondContact O-CB 3.46Å; C491-A495 PolarHBondContact O-N 3.46Å; V492-A495 PolarHBondContact O-N 3.05Å; A495-I498 PolarHBondContact O-N 3.44Å; A495-T499 WeakPolarHBondContact O-CB 3.35Å; A495-T499 PolarHBondContact O-N 3.3Å; A495-T499 PolarHBondContact O-OG1 3.14Å; A495-L516 HydrophobicContact CB-CD2 4.06Å; A495-V519 HydrophobicContact CB-CG1 4.31Å
496L96.7Very high93.1Very high113 Ų11376.2 Ų76.259%0.59239%0.392SS*.Hα-helixtrans-64.7-42.6176.4-73.1171.2000111.7V492 A493 V494 T499 L500V492-L496 HydrophobicContact CG1-CD1 4.07Å; V492-L496 HydrophobicContact CG1-CG 4.44Å; V492-L496 VanDerWaalsContact O-CG 3.31Å; V492-L496 WeakPolarHBondContact O-CG 3.38Å; V492-L496 PolarHBondContact O-N 3.37Å; A493-L496 PolarHBondContact O-N 2.88Å; V494-L496 VanDerWaalsContact C-N 3.31Å; V494-L496 PolarHBondContact O-N 2.67Å; L496-T499 PolarHBondContact O-N 3.42Å; L496-L500 WeakPolarHBondContact O-CB 3.34Å; L496-L500 PolarHBondContact O-N 3.22Å
497V96.6Very high93.2Very high100 Ų10071.6 Ų71.661%0.60637%0.369SS*.Hα-helixtrans-62.9-46.9176.9170.60000111A493 V494 T499 L500 F501A493-V497 WeakPolarHBondContact O-CG2 3.44Å; A493-V497 PolarHBondContact O-N 2.68Å; V494-V497 PolarHBondContact O-N 3.07Å; V497-T499 VanDerWaalsContact C-N 3.34Å; V497-T499 PolarHBondContact O-N 3.47Å; V497-L500 PolarHBondContact O-N 3.32Å; V497-F501 VanDerWaalsContact O-CB 3.31Å; V497-F501 WeakPolarHBondContact O-CB 3.1Å; V497-F501 PolarHBondContact O-N 3.24Å
498I95.8Very high93.3Very high38 Ų3873.6 Ų73.620%0.19538%0.384CS..Hα-helixtrans-59.1-47175.7-68.1168.9000110.4V494 A495 L500 F501 L502 C515 L516 V519V494-I498 HydrophobicContact CG1-CD1 3.81Å; V494-I498 HydrophobicContact CG1-CG1 4.44Å; V494-I498 WeakPolarHBondContact O-CG1 3.23Å; V494-I498 PolarHBondContact O-N 3.2Å; A495-I498 PolarHBondContact O-N 3.44Å; I498-L500 PolarHBondContact O-N 2.86Å; I498-F501 PolarHBondContact O-N 2.75Å; I498-L502 HydrophobicContact CG2-CD1 3.97Å; I498-L502 HydrophobicContact CG2-CG 4.45Å; I498-L502 WeakPolarHBondContact O-CG 3.34Å; I498-L502 PolarHBondContact O-N 3.11Å; I498-C515 HydrophobicContact CG2-CB 3.64Å; I498-L516 HydrophobicContact CB-CD2 4.01Å; I498-L516 HydrophobicContact CG2-CD2 3.76Å; I498-L516 HydrophobicContact CG2-CG 4.28Å; I498-V519 HydrophobicContact CD1-CG2 3.95Å
499T96Very high93.4Very high51 Ų5178.7 Ų78.731%0.31341%0.405SS..Hα-helixtrans-61.9-44.9179.9-56.30000111.5A495 L496 V497 L502 L503 Y512A495-T499 WeakPolarHBondContact O-CB 3.35Å; A495-T499 PolarHBondContact O-N 3.3Å; A495-T499 PolarHBondContact O-OG1 3.14Å; L496-T499 PolarHBondContact O-N 3.42Å; V497-T499 VanDerWaalsContact C-N 3.34Å; V497-T499 PolarHBondContact O-N 3.47Å; T499-L502 PolarHBondContact O-N 3.05Å; T499-L503 VanDerWaalsContact O-CB 3.27Å; T499-L503 WeakPolarHBondContact O-CB 3.41Å; T499-L503 PolarHBondContact O-N 3.23Å; T499-Y512 HydrophobicContact CG2-CD1 4.35Å; T499-Y512 HydrophobicContact CG2-CE1 4.08Å
500L95.4Very high93.4Very high103 Ų10373.1 Ų73.154%0.53939%0.389SS..Hα-helixtrans-64.5-42.6177.9-178.863.2000111.3L496 V497 I498 L503 I504L496-L500 WeakPolarHBondContact O-CB 3.34Å; L496-L500 PolarHBondContact O-N 3.22Å; V497-L500 PolarHBondContact O-N 3.32Å; I498-L500 PolarHBondContact O-N 2.86Å; L500-L503 PolarHBondContact O-N 3.33Å; L500-I504 HydrophobicContact CD1-CD1 4.09Å; L500-I504 HydrophobicContact CD1-CG1 4.3Å; L500-I504 HydrophobicContact CG-CD1 3.88Å; L500-I504 WeakPolarHBondContact O-CD1 3.19Å; L500-I504 VanDerWaalsContact O-CG1 3.23Å; L500-I504 WeakPolarHBondContact O-CG1 3.13Å; L500-I504 PolarHBondContact O-N 3.12Å
501F94.1Very high93.4Very high62 Ų6268.2 Ų68.227%0.27237%0.367SS..Hα-helixtrans-58.1-49.7176.4172.2-99.2000111.8L386 L389 F445 V497 I498 L503 I504 Q505L386-F501 HydrophobicContact CD1-CD2 4.36Å; L386-F501 HydrophobicContact CD1-CE2 4.13Å; L389-F501 HydrophobicContact CD1-CE2 3.97Å; L389-F501 HydrophobicContact CD1-CZ 4.28Å; F445-F501 HydrophobicContact CE2-CE1 4.26Å; F445-F501 AromaticContact CZ-CE1 3.92Å; F445-F501 HydrophobicContact CZ-CE1 3.92Å; V497-F501 VanDerWaalsContact O-CB 3.31Å; V497-F501 WeakPolarHBondContact O-CB 3.1Å; V497-F501 PolarHBondContact O-N 3.24Å; I498-F501 PolarHBondContact O-N 2.75Å; F501-L503 VanDerWaalsContact C-N 3.34Å; F501-L503 PolarHBondContact O-N 3.04Å; F501-I504 PolarHBondContact O-N 2.68Å; F501-Q505 VanDerWaalsContact CE2-NE2 3.3Å; F501-Q505 PolarHBondContact O-N 3.22Å
502L94Very high93.5Very high0 Ų069.7 Ų69.70%037%0.37CS..Hα-helixtrans-66.5-34.8178-65.9175.4000112.5F445 I498 T499 Q505 R506 S507 Y511 Y512 C515F445-L502 HydrophobicContact CE1-CD2 4.31Å; F445-L502 HydrophobicContact CZ-CD2 4.41Å; I498-L502 HydrophobicContact CG2-CD1 3.97Å; I498-L502 HydrophobicContact CG2-CG 4.45Å; I498-L502 WeakPolarHBondContact O-CG 3.34Å; I498-L502 PolarHBondContact O-N 3.11Å; T499-L502 PolarHBondContact O-N 3.05Å; L502-Q505 PolarHBondContact O-N 3.35Å; L502-R506 PolarHBondContact O-N 3.48Å; L502-R506 VanDerWaalsContact O-N 3.11Å; L502-S507 PolarHBondContact O-N 3.04Å; L502-S507 PolarHBondContact O-OG 2.88Å; L502-Y511 HydrophobicContact CD2-CD2 4.49Å; L502-Y512 VanDerWaalsContact C-OH 3.28Å; L502-Y512 HydrophobicContact CB-CD1 4.12Å; L502-Y512 HydrophobicContact CB-CE1 3.6Å; L502-Y512 HydrophobicContact CB-CE2 4.05Å; L502-Y512 HydrophobicContact CD1-CD1 3.78Å; L502-Y512 HydrophobicContact CD1-CD2 4.25Å; L502-Y512 HydrophobicContact CD1-CE1 4.15Å; L502-Y512 HydrophobicContact CD1-CG 3.84Å; L502-Y512 PolarHBondContact O-OH 3.2Å; L502-C515 HydrophobicContact CD1-CB 4.02Å
503L93.7Very high93.5Very high111 Ų11169.3 Ų69.358%0.58136%0.364SS*.Hα-helixtrans-66.1-43.2176.7-174.470.2000111.4T499 L500 F501 Q505 R506 Y512T499-L503 VanDerWaalsContact O-CB 3.27Å; T499-L503 WeakPolarHBondContact O-CB 3.41Å; T499-L503 PolarHBondContact O-N 3.23Å; L500-L503 PolarHBondContact O-N 3.33Å; F501-L503 VanDerWaalsContact C-N 3.34Å; F501-L503 PolarHBondContact O-N 3.04Å; L503-Q505 VanDerWaalsContact C-N 3.28Å; L503-Q505 PolarHBondContact O-N 3.26Å; L503-R506 PolarHBondContact O-N 2.89Å; L503-R506 VanDerWaalsContact O-N 3.11Å; L503-Y512 VanDerWaalsContact CA-OH 3.22Å; L503-Y512 WeakPolarHBondContact CA-OH 3.38Å; L503-Y512 PolarHBondContact N-OH 3.41Å; L503-Y512 VanDerWaalsContact N-OH 3.16Å
504I92.6Very high93.5Very high96 Ų9667.3 Ų67.349%0.49235%0.347SS..Hα-helixtrans-62-38.5176.9-69.8165.4000110.8L386 L500 F501 R506L386-I504 HydrophobicContact CD2-CG2 3.64Å; L386-I504 HydrophobicContact CG-CG2 4.38Å; L500-I504 HydrophobicContact CD1-CD1 4.09Å; L500-I504 HydrophobicContact CD1-CG1 4.3Å; L500-I504 HydrophobicContact CG-CD1 3.88Å; L500-I504 WeakPolarHBondContact O-CD1 3.19Å; L500-I504 VanDerWaalsContact O-CG1 3.23Å; L500-I504 WeakPolarHBondContact O-CG1 3.13Å; L500-I504 PolarHBondContact O-N 3.12Å; F501-I504 PolarHBondContact O-N 2.68Å; I504-R506 VanDerWaalsContact C-N 3.27Å; I504-R506 PolarHBondContact O-N 3.43Å
505Q91.1Very high93.5Very high16 Ų1665.2 Ų65.28%0.07533%0.334CS..THydrogen-bonded Turntrans-80.8-1177.2-69.8-168.5-300114.3T384 L386 F501 L502 L503 S507T384-Q505 WeakPolarHBondContact O-CA 3.29Å; T384-Q505 VanDerWaalsContact O-CB 3.27Å; T384-Q505 WeakPolarHBondContact O-CB 3.42Å; T384-Q505 VanDerWaalsContact O-O 3.05Å; L386-Q505 HydrophobicContact CG-CG 4.22Å; F501-Q505 VanDerWaalsContact CE2-NE2 3.3Å; F501-Q505 PolarHBondContact O-N 3.22Å; L502-Q505 PolarHBondContact O-N 3.35Å; L503-Q505 VanDerWaalsContact C-N 3.28Å; L503-Q505 PolarHBondContact O-N 3.26Å; Q505-S507 PolarHBondContact O-N 3.27Å
506R90.1Very high93.5Very high216 Ų21666.3 Ų66.382%0.81534%0.336SS*.THydrogen-bonded Turntrans50.738.6-174.5-58.5-178.8176.8174.4-0.6112.4L502 L503 I504L502-R506 PolarHBondContact O-N 3.48Å; L502-R506 VanDerWaalsContact O-N 3.11Å; L503-R506 PolarHBondContact O-N 2.89Å; L503-R506 VanDerWaalsContact O-N 3.11Å; I504-R506 VanDerWaalsContact C-N 3.27Å; I504-R506 PolarHBondContact O-N 3.43Å
507S89.9Confident93.5Very high16 Ų1662.1 Ų62.111%0.11231%0.314CS..  trans-64.9153.4-175.6-53.90000112.1L502 Q505 Y512L502-S507 PolarHBondContact O-N 3.04Å; L502-S507 PolarHBondContact O-OG 2.88Å; Q505-S507 PolarHBondContact O-N 3.27Å; S507-Y512 WeakPolarHBondContact O-CE2 3.46Å
508P89Confident93.4Very high71 Ų7158 Ų5846%0.46129%0.289SS..  trans-58.5154.1174-23.433.7000112.9T510 Y511 Y512P508-T510 PolarHBondContact O-N 3.38Å; P508-T510 VanDerWaalsContact O-N 3.16Å; P508-Y511 HydrophobicContact CB-CD1 4.08Å; P508-Y511 HydrophobicContact CB-CE1 4.4Å; P508-Y511 HydrophobicContact CG-CD1 4.05Å; P508-Y511 HydrophobicContact CG-CE1 3.97Å; P508-Y511 WeakPolarHBondContact O-CB 3.45Å; P508-Y511 PolarHBondContact O-N 2.91Å; P508-Y512 WeakPolarHBondContact O-CD2 3.36Å
509I89.9Confident93.4Very high137 Ų13757.2 Ų57.270%0.70329%0.286SS*.Hα-helixtrans-56.4-35.6179.8-65.5172.6000111.8Y511 Y512 I513I509-Y511 PolarHBondContact O-N 2.96Å; I509-Y512 WeakPolarHBondContact O-CB 3.36Å; I509-Y512 PolarHBondContact O-N 3.42Å; I509-Y512 VanDerWaalsContact O-N 3.12Å; I509-I513 PolarHBondContact O-N 3.49Å
510T90.6Very high93.3Very high44 Ų4458.1 Ų58.127%0.2729%0.293SS..Hα-helixtrans-63.1-29.1-179.9580000112.7D23 P508 Y512 I513 Y514D23-T510 WeakPolarHBondContact OD2-CB 3.41Å; D23-T510 VanDerWaalsContact OD2-CG2 3.27Å; D23-T510 WeakPolarHBondContact OD2-CG2 3.41Å; D23-T510 PolarHBondContact OD2-OG1 3.44Å; P508-T510 PolarHBondContact O-N 3.38Å; P508-T510 VanDerWaalsContact O-N 3.16Å; T510-Y512 VanDerWaalsContact C-N 3.3Å; T510-Y512 PolarHBondContact O-N 3.32Å; T510-I513 WeakPolarHBondContact O-CB 3.49Å; T510-I513 PolarHBondContact O-N 3.08Å; T510-I513 VanDerWaalsContact O-N 3.1Å; T510-Y514 WeakPolarHBondContact O-CD2 3.18Å; T510-Y514 WeakPolarHBondContact O-CE2 3.12Å; T510-Y514 PolarHBondContact O-N 3.37Å; T510-Y514 VanDerWaalsContact O-N 3.08Å
511Y92.6Very high93.2Very high29 Ų2953.7 Ų53.711%0.11427%0.27CS..Hα-helixtrans-65.4-36.8177.1-75.335.3000111D442 L446 L502 P508 I509 I513 Y514 C515D442-Y511 HydrophobicContact CB-CE2 4.07Å; D442-Y511 VanDerWaalsContact CB-OH 3.29Å; D442-Y511 WeakPolarHBondContact CB-OH 3.47Å; D442-Y511 PolarHBondContact OD2-OH 2.86Å; L446-Y511 HydrophobicContact CD1-CD1 4.21Å; L446-Y511 HydrophobicContact CD1-CE1 3.65Å; L446-Y511 HydrophobicContact CD1-CE2 4.14Å; L446-Y511 HydrophobicContact CD2-CD1 4.1Å; L446-Y511 HydrophobicContact CD2-CD2 3.83Å; L446-Y511 HydrophobicContact CD2-CE1 4.3Å; L446-Y511 HydrophobicContact CD2-CE2 4.04Å; L446-Y511 HydrophobicContact CD2-CG 3.85Å; L446-Y511 HydrophobicContact CG-CE1 4.49Å; L446-Y511 HydrophobicContact CG-CE2 4.26Å; L502-Y511 HydrophobicContact CD2-CD2 4.49Å; P508-Y511 HydrophobicContact CB-CD1 4.08Å; P508-Y511 HydrophobicContact CB-CE1 4.4Å; P508-Y511 HydrophobicContact CG-CD1 4.05Å; P508-Y511 HydrophobicContact CG-CE1 3.97Å; P508-Y511 WeakPolarHBondContact O-CB 3.45Å; P508-Y511 PolarHBondContact O-N 2.91Å; I509-Y511 PolarHBondContact O-N 2.96Å; Y511-I513 VanDerWaalsContact C-N 3.3Å; Y511-I513 PolarHBondContact O-N 3.49Å; Y511-Y514 PolarHBondContact O-N 3.45Å; Y511-C515 VanDerWaalsContact O-CB 3.27Å; Y511-C515 WeakPolarHBondContact O-CB 3.35Å; Y511-C515 PolarHBondContact O-N 2.93Å; Y511-C515 PolarHBondContact O-SG 3.25Å
512Y95.2Very high93.2Very high48 Ų4854.5 Ų54.519%0.18827%0.272CS..Hα-helixtrans-63-40.5174.8-64.3-101.3000110.7T499 L502 L503 S507 P508 I509 T510 L516T499-Y512 HydrophobicContact CG2-CD1 4.35Å; T499-Y512 HydrophobicContact CG2-CE1 4.08Å; L502-Y512 VanDerWaalsContact C-OH 3.28Å; L502-Y512 HydrophobicContact CB-CD1 4.12Å; L502-Y512 HydrophobicContact CB-CE1 3.6Å; L502-Y512 HydrophobicContact CB-CE2 4.05Å; L502-Y512 HydrophobicContact CD1-CD1 3.78Å; L502-Y512 HydrophobicContact CD1-CD2 4.25Å; L502-Y512 HydrophobicContact CD1-CE1 4.15Å; L502-Y512 HydrophobicContact CD1-CG 3.84Å; L502-Y512 PolarHBondContact O-OH 3.2Å; L503-Y512 VanDerWaalsContact CA-OH 3.22Å; L503-Y512 WeakPolarHBondContact CA-OH 3.38Å; L503-Y512 PolarHBondContact N-OH 3.41Å; L503-Y512 VanDerWaalsContact N-OH 3.16Å; S507-Y512 WeakPolarHBondContact O-CE2 3.46Å; P508-Y512 WeakPolarHBondContact O-CD2 3.36Å; I509-Y512 WeakPolarHBondContact O-CB 3.36Å; I509-Y512 PolarHBondContact O-N 3.42Å; I509-Y512 VanDerWaalsContact O-N 3.12Å; T510-Y512 VanDerWaalsContact C-N 3.3Å; T510-Y512 PolarHBondContact O-N 3.32Å; Y512-L516 WeakPolarHBondContact O-CB 3.1Å; Y512-L516 WeakPolarHBondContact O-CG 3.44Å; Y512-L516 PolarHBondContact O-N 3.11Å
513I94.4Very high93.1Very high80 Ų8057.3 Ų57.341%0.4128%0.283SS..Hα-helixtrans-61-50.8178-57.8175.9000109.8V16 I509 T510 Y511 L517V16-I513 HydrophobicContact CB-CG2 4.4Å; V16-I513 HydrophobicContact CG1-CG2 3.77Å; V16-I513 HydrophobicContact CG2-CG2 3.67Å; I509-I513 PolarHBondContact O-N 3.49Å; T510-I513 WeakPolarHBondContact O-CB 3.49Å; T510-I513 PolarHBondContact O-N 3.08Å; T510-I513 VanDerWaalsContact O-N 3.1Å; Y511-I513 VanDerWaalsContact C-N 3.3Å; Y511-I513 PolarHBondContact O-N 3.49Å; I513-L517 VanDerWaalsContact O-CB 3.28Å; I513-L517 WeakPolarHBondContact O-CB 3.42Å; I513-L517 PolarHBondContact O-N 3.42Å; I513-L517 VanDerWaalsContact O-N 3.12Å
514Y94.6Very high92.8Very high8 Ų853.8 Ų53.83%0.03127%0.267CS..Hα-helixtrans-68.9-41.5-177.2-52.8-41.8000113.2V16 D23 L446 V450 T510 Y511 P518V16-Y514 HydrophobicContact CG1-CD1 3.59Å; V16-Y514 HydrophobicContact CG1-CE1 3.87Å; D23-Y514 HydrophobicContact CB-CE2 3.77Å; D23-Y514 WeakPolarHBondContact OD2-CE2 3.34Å; D23-Y514 PolarHBondContact OD2-OH 3.1Å; L446-Y514 HydrophobicContact CD2-CD2 4.3Å; V450-Y514 HydrophobicContact CG2-CG 4.44Å; T510-Y514 WeakPolarHBondContact O-CD2 3.18Å; T510-Y514 WeakPolarHBondContact O-CE2 3.12Å; T510-Y514 PolarHBondContact O-N 3.37Å; T510-Y514 VanDerWaalsContact O-N 3.08Å; Y511-Y514 PolarHBondContact O-N 3.45Å; Y514-P518 WeakPolarHBondContact O-CD 3.33Å
515C95.8Very high92.6Very high6 Ų649.4 Ų49.44%0.04125%0.246CC..Hα-helixtrans-78.4-29.3-176.7-60.20000112.8F445 I498 L502 Y511F445-C515 VanDerWaalsContact CZ-SG 3.58Å; I498-C515 HydrophobicContact CG2-CB 3.64Å; L502-C515 HydrophobicContact CD1-CB 4.02Å; Y511-C515 VanDerWaalsContact O-CB 3.27Å; Y511-C515 WeakPolarHBondContact O-CB 3.35Å; Y511-C515 PolarHBondContact O-N 2.93Å; Y511-C515 PolarHBondContact O-SG 3.25Å
516L96.3Very high92.5Very high47 Ų4752.3 Ų52.325%0.24626%0.261CS..Hα-helixtrans-86.4-27.2179.2-65172.5000113A495 I498 Y512 P518 V519 P520A495-L516 HydrophobicContact CB-CD2 4.06Å; I498-L516 HydrophobicContact CB-CD2 4.01Å; I498-L516 HydrophobicContact CG2-CD2 3.76Å; I498-L516 HydrophobicContact CG2-CG 4.28Å; Y512-L516 WeakPolarHBondContact O-CB 3.1Å; Y512-L516 WeakPolarHBondContact O-CG 3.44Å; Y512-L516 PolarHBondContact O-N 3.11Å; L516-P518 VanDerWaalsContact C-CD 3.47Å; L516-V519 WeakPolarHBondContact O-CB 3.09Å; L516-V519 PolarHBondContact O-N 2.83Å; L516-P520 WeakPolarHBondContact O-CD 3.31Å
517L95.2Very high92.2Very high26 Ų2646.3 Ų46.314%0.13624%0.241CC..THydrogen-bonded Turntrans-52.7-42.1-179.5178.671.3000114.3V13 V16 F17 I513 V519 P520 V521V13-L517 HydrophobicContact CG1-CD2 4.46Å; V13-L517 HydrophobicContact CG2-CD1 4.06Å; V16-L517 HydrophobicContact CB-CD2 3.9Å; V16-L517 HydrophobicContact CG1-CD2 3.64Å; F17-L517 HydrophobicContact CD1-CD2 4.2Å; F17-L517 HydrophobicContact CE1-CD2 3.69Å; F17-L517 HydrophobicContact CZ-CD2 4.39Å; I513-L517 VanDerWaalsContact O-CB 3.28Å; I513-L517 WeakPolarHBondContact O-CB 3.42Å; I513-L517 PolarHBondContact O-N 3.42Å; I513-L517 VanDerWaalsContact O-N 3.12Å; L517-V519 PolarHBondContact O-N 3.29Å; L517-P520 VanDerWaalsContact O-CD 3.22Å; L517-P520 WeakPolarHBondContact O-CD 3.46Å; L517-P520 WeakPolarHBondContact O-CG 3.45Å; L517-V521 HydrophobicContact CD1-CG2 4.33Å; L517-V521 HydrophobicContact CG-CG2 4.43Å; L517-V521 VanDerWaalsContact O-CG2 3.31Å; L517-V521 WeakPolarHBondContact O-CG2 3.47Å
518P96Very high91.5Very high13 Ų1346.7 Ų46.78%0.08424%0.241CC..Hα-helixtrans-59.5-30.3178.3-26.635.8000113.2S449 L452 Y514 L516 V521 W522S449-P518 VanDerWaalsContact O-CG 3.23Å; S449-P518 WeakPolarHBondContact O-CG 3.17Å; L452-P518 HydrophobicContact CB-CB 4.31Å; L452-P518 HydrophobicContact CB-CG 4.3Å; Y514-P518 WeakPolarHBondContact O-CD 3.33Å; L516-P518 VanDerWaalsContact C-CD 3.47Å; P518-V521 PolarHBondContact O-N 3.34Å; P518-W522 WeakPolarHBondContact O-CB 3.3Å; P518-W522 VanDerWaalsContact O-CD1 3.23Å; P518-W522 PolarHBondContact O-N 3Å
519V95.3Very high90.6Very high21 Ų2146.3 Ų46.313%0.12724%0.24CC..Hα-helixtrans-61.6-57.6-174.6-178.30000113.2C491 V494 A495 I498 L516 L517 V521 Y523C491-V519 HydrophobicContact CB-CG1 3.82Å; C491-V519 WeakPolarHBondContact O-CG1 3.31Å; V494-V519 HydrophobicContact CG1-CG2 4.12Å; A495-V519 HydrophobicContact CB-CG1 4.31Å; I498-V519 HydrophobicContact CD1-CG2 3.95Å; L516-V519 WeakPolarHBondContact O-CB 3.09Å; L516-V519 PolarHBondContact O-N 2.83Å; L517-V519 PolarHBondContact O-N 3.29Å; V519-V521 VanDerWaalsContact C-N 3.29Å; V519-V521 PolarHBondContact O-N 2.92Å; V519-Y523 WeakPolarHBondContact O-CB 3.5Å; V519-Y523 PolarHBondContact O-N 3.38Å
520P93.2Very high89.7Confident71 Ų7140.8 Ų40.846%0.46122%0.217SC..Hα-helixtrans-67.2-28.8177.227.2-35.5000113.1L516 L517 S524L516-P520 WeakPolarHBondContact O-CD 3.31Å; L517-P520 VanDerWaalsContact O-CD 3.22Å; L517-P520 WeakPolarHBondContact O-CD 3.46Å; L517-P520 WeakPolarHBondContact O-CG 3.45Å; P520-S524 PolarHBondContact O-N 3.35Å; P520-S524 VanDerWaalsContact O-N 3.08Å; P520-S524 PolarHBondContact O-OG 2.72Å
521V93.3Very high88.7Confident9 Ų939.2 Ų39.26%0.05521%0.209CC..Hα-helixtrans-67.4-51.3177172.20000110.5V13 W457 L517 P518 V519 Y523 S524 A525V13-V521 HydrophobicContact CG2-CG2 4.35Å; W457-V521 HydrophobicContact CB-CG1 4.01Å; L517-V521 HydrophobicContact CD1-CG2 4.33Å; L517-V521 HydrophobicContact CG-CG2 4.43Å; L517-V521 VanDerWaalsContact O-CG2 3.31Å; L517-V521 WeakPolarHBondContact O-CG2 3.47Å; P518-V521 PolarHBondContact O-N 3.34Å; V519-V521 VanDerWaalsContact C-N 3.29Å; V519-V521 PolarHBondContact O-N 2.92Å; V521-Y523 PolarHBondContact O-N 2.94Å; V521-S524 WeakPolarHBondContact O-CA 3.26Å; V521-S524 WeakPolarHBondContact O-CB 3.37Å; V521-S524 PolarHBondContact O-N 3.45Å; V521-S524 VanDerWaalsContact O-N 3.08Å; V521-A525 PolarHBondContact O-N 2.84Å
522W93.6Very high87.6Confident80 Ų8042 Ų4230%0.30323%0.225SC..Hα-helixtrans-67.4-34.6176.4-82.1102.5000112.6L452 I455 G456 P518 S524 A525 L526L452-W522 PolarHBondContact O-NE1 3.5Å; I455-W522 HydrophobicContact CB-CZ2 4.46Å; I455-W522 HydrophobicContact CG2-CH2 4.23Å; I455-W522 HydrophobicContact CG2-CZ2 3.91Å; G456-W522 VanDerWaalsContact CA-CE2 3.49Å; P518-W522 WeakPolarHBondContact O-CB 3.3Å; P518-W522 VanDerWaalsContact O-CD1 3.23Å; P518-W522 PolarHBondContact O-N 3Å; W522-S524 PolarHBondContact O-N 2.82Å; W522-A525 HydrophobicContact CE3-CB 4.3Å; W522-A525 PolarHBondContact O-N 3.36Å; W522-L526 HydrophobicContact CE3-CG 4.39Å; W522-L526 VanDerWaalsContact O-CB 3.26Å; W522-L526 WeakPolarHBondContact O-CB 3.25Å; W522-L526 WeakPolarHBondContact O-CG 3.35Å; W522-L526 PolarHBondContact O-N 3.44Å
523Y91.8Very high86.5Confident58 Ų5841.9 Ų41.923%0.22723%0.231CC..Hα-helixtrans-55-44168.8172.8-105.7000111.3L487 A488 V519 V521 K527L487-Y523 HydrophobicContact CD2-CD2 4.08Å; L487-Y523 HydrophobicContact CD2-CE2 4.25Å; L487-Y523 HydrophobicContact CG-CD2 3.99Å; L487-Y523 HydrophobicContact CG-CE2 4.24Å; A488-Y523 HydrophobicContact CB-CE2 3.99Å; V519-Y523 WeakPolarHBondContact O-CB 3.5Å; V519-Y523 PolarHBondContact O-N 3.38Å; V521-Y523 PolarHBondContact O-N 2.94Å; Y523-K527 WeakPolarHBondContact O-CB 3.3Å; Y523-K527 PolarHBondContact O-N 3.48Å
524S88.7Confident85.4Confident37 Ų3740.8 Ų40.826%0.25923%0.226SC..Hα-helixtrans-68.3-42179.2-57.40000112.1P520 V521 W522 E528P520-S524 PolarHBondContact O-N 3.35Å; P520-S524 VanDerWaalsContact O-N 3.08Å; P520-S524 PolarHBondContact O-OG 2.72Å; V521-S524 WeakPolarHBondContact O-CA 3.26Å; V521-S524 WeakPolarHBondContact O-CB 3.37Å; V521-S524 PolarHBondContact O-N 3.45Å; V521-S524 VanDerWaalsContact O-N 3.08Å; W522-S524 PolarHBondContact O-N 2.82Å; S524-E528 WeakPolarHBondContact O-CG 3.45Å; S524-E528 PolarHBondContact O-N 3.47Å
525A88.6Confident84.3Confident5 Ų542.8 Ų42.84%0.04124%0.237CC..Hα-helixtrans-63.4-48.1174.900000112.2L463 V521 W522 K527 E528L463-A525 HydrophobicContact CD1-CB 4.31Å; L463-A525 WeakPolarHBondContact CD1-O 3.43Å; V521-A525 PolarHBondContact O-N 2.84Å; W522-A525 HydrophobicContact CE3-CB 4.3Å; W522-A525 PolarHBondContact O-N 3.36Å; A525-K527 VanDerWaalsContact C-N 3.34Å; A525-K527 PolarHBondContact O-N 3.39Å; A525-E528 CarbonylContact O-C 3.52Å; A525-E528 WeakPolarHBondContact O-CB 3.49Å; A525-E528 PolarHBondContact O-N 2.71Å; A525-E528 VanDerWaalsContact O-N 3.08Å
526L87.8Confident83.3Confident76 Ų7647.9 Ų47.940%0.39826%0.263SS..Hα-helixtrans-70.5-29.3-178-67.6173.7000112.7L487 W522 E528 S529L487-L526 HydrophobicContact CD1-CB 4.4Å; L487-L526 HydrophobicContact CD1-CD1 4.08Å; L487-L526 HydrophobicContact CD2-CB 3.89Å; W522-L526 HydrophobicContact CE3-CG 4.39Å; W522-L526 VanDerWaalsContact O-CB 3.26Å; W522-L526 WeakPolarHBondContact O-CB 3.25Å; W522-L526 WeakPolarHBondContact O-CG 3.35Å; W522-L526 PolarHBondContact O-N 3.44Å; L526-E528 PolarHBondContact O-N 3.23Å; L526-S529 WeakPolarHBondContact O-CB 3.32Å; L526-S529 PolarHBondContact O-N 3.45Å; L526-S529 PolarHBondContact O-OG 3.02Å
527K84.4Confident82.3Confident91 Ų9154.8 Ų54.840%0.39629%0.286SS..Hα-helixtrans-60.7-31.6170.6-175.9179.3179.3-176.50111.9Y523 A525 S529Y523-K527 WeakPolarHBondContact O-CB 3.3Å; Y523-K527 PolarHBondContact O-N 3.48Å; A525-K527 VanDerWaalsContact C-N 3.34Å; A525-K527 PolarHBondContact O-N 3.39Å; K527-S529 VanDerWaalsContact C-N 3.28Å; K527-S529 PolarHBondContact O-N 3.17Å
528E76.3Confident81.2Confident23 Ų2354.5 Ų54.511%0.10729%0.286CS..THydrogen-bonded Turntrans-8710.7176.2-60.4-62.7152.600113.1Y460 L463 R467 S524 A525 L526 G530 A531Y460-E528 HydrophobicContact CE2-CG 4.31Å; L463-E528 HydrophobicContact CB-CB 4.14Å; L463-E528 HydrophobicContact CD1-CB 4.13Å; R467-E528 WeakPolarHBondContact CD-OE2 3.48Å; R467-E528 IonicContact CZ-OE2 2.59Å; R467-E528 IonicContact NE-OE2 2.84Å; R467-E528 IonicContact NH1-OE1 3.58Å; R467-E528 PolarHBondContact NH1-OE1 3.4Å; R467-E528 IonicContact NH1-OE2 3.41Å; R467-E528 PolarHBondContact NH1-OE2 3.42Å; S524-E528 WeakPolarHBondContact O-CG 3.45Å; S524-E528 PolarHBondContact O-N 3.47Å; A525-E528 CarbonylContact O-C 3.52Å; A525-E528 WeakPolarHBondContact O-CB 3.49Å; A525-E528 PolarHBondContact O-N 2.71Å; A525-E528 VanDerWaalsContact O-N 3.08Å; L526-E528 PolarHBondContact O-N 3.23Å; E528-G530 PolarHBondContact O-N 2.86Å; E528-A531 WeakPolarHBondContact O-CB 3.4Å; E528-A531 PolarHBondContact O-N 2.85Å
529S69.3Low80.1Confident63 Ų6355.3 Ų55.344%0.44129%0.294SS..Hα-helixtrans-54.3-23.4179.551.70000114.9L526 K527 A531 L532 S533L526-S529 WeakPolarHBondContact O-CB 3.32Å; L526-S529 PolarHBondContact O-N 3.45Å; L526-S529 PolarHBondContact O-OG 3.02Å; K527-S529 VanDerWaalsContact C-N 3.28Å; K527-S529 PolarHBondContact O-N 3.17Å; S529-A531 VanDerWaalsContact C-N 3.32Å; S529-A531 PolarHBondContact O-N 3.27Å; S529-L532 WeakPolarHBondContact O-CB 3.48Å; S529-L532 PolarHBondContact O-N 2.59Å; S529-S533 PolarHBondContact O-N 2.93Å
530G70.7Confident79.1Confident22 Ų2259.9 Ų59.923%0.22732%0.324CS..Hα-helixtrans-56.9-43.2170.500000112.6E528 L532 S533 D534E528-G530 PolarHBondContact O-N 2.86Å; G530-L532 VanDerWaalsContact C-N 3.29Å; G530-L532 PolarHBondContact O-N 3.49Å; G530-S533 PolarHBondContact O-N 3.39Å; G530-S533 VanDerWaalsContact O-N 3.15Å; G530-S533 PolarHBondContact O-OG 2.96Å; G530-D534 PolarHBondContact O-N 2.98Å
531A69.7Low78.1Confident11 Ų1161 Ų619%0.09133%0.334CS..Hα-helixtrans-65-33.9177.200000112.3L463 R467 E528 S529 D534 L535L463-A531 HydrophobicContact CD2-CB 4.33Å; R467-A531 HydrophobicContact CB-CB 4.47Å; E528-A531 WeakPolarHBondContact O-CB 3.4Å; E528-A531 PolarHBondContact O-N 2.85Å; S529-A531 VanDerWaalsContact C-N 3.32Å; S529-A531 PolarHBondContact O-N 3.27Å; A531-D534 PolarHBondContact O-N 2.82Å; A531-L535 WeakPolarHBondContact O-CB 3.35Å; A531-L535 PolarHBondContact O-N 3.36Å
532L70.4Confident77.2Confident86 Ų8663.1 Ų63.145%0.4534%0.344SS..Hα-helixtrans-67.4-42.7173.2-174.765.8000111.1L463 S529 G530 D534 L535 I536L463-L532 HydrophobicContact CD2-CB 4.19Å; S529-L532 WeakPolarHBondContact O-CB 3.48Å; S529-L532 PolarHBondContact O-N 2.59Å; G530-L532 VanDerWaalsContact C-N 3.29Å; G530-L532 PolarHBondContact O-N 3.49Å; L532-D534 VanDerWaalsContact C-N 3.31Å; L532-D534 PolarHBondContact O-N 3.2Å; L532-L535 WeakPolarHBondContact O-CB 3.48Å; L532-L535 PolarHBondContact O-N 2.7Å; L532-I536 HydrophobicContact CG-CD1 4.16Å; L532-I536 VanDerWaalsContact O-CG1 3.29Å; L532-I536 WeakPolarHBondContact O-CG1 3.26Å; L532-I536 PolarHBondContact O-N 3.49Å
533S71.3Confident76.5Confident47 Ų4762.5 Ų62.533%0.32935%0.351SS..Hα-helixtrans-64.1-36.8176.475.30000112.4S529 G530 I536 R537S529-S533 PolarHBondContact O-N 2.93Å; G530-S533 PolarHBondContact O-N 3.39Å; G530-S533 VanDerWaalsContact O-N 3.15Å; G530-S533 PolarHBondContact O-OG 2.96Å; S533-I536 PolarHBondContact O-N 3.42Å; S533-R537 WeakPolarHBondContact O-CB 3.39Å; S533-R537 VanDerWaalsContact O-CG 3.27Å; S533-R537 WeakPolarHBondContact O-CG 3.49Å; S533-R537 PolarHBondContact O-N 3.32Å
534D70.9Confident76Confident56 Ų5664.7 Ų64.730%0.29937%0.365SS..Hα-helixtrans-70.8-37.5175.9-69.1-27.4000111.7G530 A531 L532 R537 S538G530-D534 PolarHBondContact O-N 2.98Å; A531-D534 PolarHBondContact O-N 2.82Å; L532-D534 VanDerWaalsContact C-N 3.31Å; L532-D534 PolarHBondContact O-N 3.2Å; D534-R537 PolarHBondContact O-N 2.93Å; D534-S538 WeakPolarHBondContact O-CB 3.5Å; D534-S538 PolarHBondContact O-N 2.99Å; D534-S538 PolarHBondContact O-OG 2.99Å
535L71.8Confident75.6Confident50 Ų5073.2 Ų73.226%0.26239%0.392SS..Hα-helixtrans-61.1-46.6172.1-178.269.9000111.3L466 L472 A531 L532 R537 S538 A539 L542L466-L535 HydrophobicContact CD1-CD2 3.99Å; L472-L535 HydrophobicContact CD1-CD1 3.84Å; A531-L535 WeakPolarHBondContact O-CB 3.35Å; A531-L535 PolarHBondContact O-N 3.36Å; L532-L535 WeakPolarHBondContact O-CB 3.48Å; L532-L535 PolarHBondContact O-N 2.7Å; L535-R537 VanDerWaalsContact C-N 3.32Å; L535-R537 PolarHBondContact O-N 3.18Å; L535-S538 WeakPolarHBondContact CA-OG 3.47Å; L535-S538 CarbonylContact O-C 3.6Å; L535-S538 PolarHBondContact O-N 3.48Å; L535-S538 PolarHBondContact O-OG 3.36Å; L535-S538 VanDerWaalsContact O-OG 3.06Å; L535-A539 PolarHBondContact O-N 3.15Å; L535-L542 HydrophobicContact CD1-CD1 4.18Å
536I74.4Confident75.3Confident113 Ų11379.5 Ų79.558%0.57942%0.419SS*.Hα-helixtrans-62.1-42.1178-67.9164.8000110.5L532 S533 S538 A539L532-I536 HydrophobicContact CG-CD1 4.16Å; L532-I536 VanDerWaalsContact O-CG1 3.29Å; L532-I536 WeakPolarHBondContact O-CG1 3.26Å; L532-I536 PolarHBondContact O-N 3.49Å; S533-I536 PolarHBondContact O-N 3.42Å; I536-S538 VanDerWaalsContact C-N 3.32Å; I536-S538 PolarHBondContact O-N 3.21Å; I536-A539 WeakPolarHBondContact O-CB 3.39Å; I536-A539 PolarHBondContact O-N 3.18Å
537R76.1Confident75Confident193 Ų19377.9 Ų77.973%0.72841%0.413SS*.Hα-helixtrans-67-31.5177.1-74.6172.3177.7-176.3-1113.4S533 D534 L535 P540S533-R537 WeakPolarHBondContact O-CB 3.39Å; S533-R537 VanDerWaalsContact O-CG 3.27Å; S533-R537 WeakPolarHBondContact O-CG 3.49Å; S533-R537 PolarHBondContact O-N 3.32Å; D534-R537 PolarHBondContact O-N 2.93Å; L535-R537 VanDerWaalsContact C-N 3.32Å; L535-R537 PolarHBondContact O-N 3.18Å; R537-P540 WeakPolarHBondContact O-CD 3.49Å
538S71.6Confident75Confident19 Ų1977.9 Ų77.913%0.13342%0.417CS..Hα-helixtrans-90-9.3178.853.80000113.7L472 D534 L535 I536 P540 S541 L542L472-S538 VanDerWaalsContact CD2-OG 3.23Å; L472-S538 WeakPolarHBondContact CD2-OG 3.46Å; D534-S538 WeakPolarHBondContact O-CB 3.5Å; D534-S538 PolarHBondContact O-N 2.99Å; D534-S538 PolarHBondContact O-OG 2.99Å; L535-S538 WeakPolarHBondContact CA-OG 3.47Å; L535-S538 CarbonylContact O-C 3.6Å; L535-S538 PolarHBondContact O-N 3.48Å; L535-S538 PolarHBondContact O-OG 3.36Å; L535-S538 VanDerWaalsContact O-OG 3.06Å; I536-S538 VanDerWaalsContact C-N 3.32Å; I536-S538 PolarHBondContact O-N 3.21Å; S538-P540 VanDerWaalsContact C-N 3.32Å; S538-S541 PolarHBondContact O-N 2.86Å; S538-S541 PolarHBondContact O-OG 3.47Å; S538-L542 PolarHBondContact O-N 2.87Å
539A72.8Confident75.5Confident31 Ų3178.8 Ų78.826%0.25643%0.433SS..G310 helixtrans-50.3-39.417800000114.6L535 I536 S541 L542L535-A539 PolarHBondContact O-N 3.15Å; I536-A539 WeakPolarHBondContact O-CB 3.39Å; I536-A539 PolarHBondContact O-N 3.18Å; A539-S541 PolarHBondContact O-N 3.37Å; A539-L542 PolarHBondContact O-N 2.8Å
540P73.9Confident76.2Confident116 Ų11678.9 Ų78.975%0.75342%0.424SS*.G310 helixtrans-67.1-22.9176.9-20.433.5000114.2R537 S538R537-P540 WeakPolarHBondContact O-CD 3.49Å; S538-P540 VanDerWaalsContact C-N 3.32Å
541S73.3Confident77Confident96 Ų9684.7 Ų84.767%0.67144%0.443SS*.G310 helixtrans-89.8-9.6179.370.40000113.5S538 A539S538-S541 PolarHBondContact O-N 2.86Å; S538-S541 PolarHBondContact O-OG 3.47Å; A539-S541 PolarHBondContact O-N 3.37Å
542L73.8Confident77.8Confident52 Ų5288.3 Ų88.327%0.27246%0.464SS..SBendtrans-87.9144.7179.9-74173.2000110.7L472 L535 S538 A539 L544L472-L542 HydrophobicContact CD2-CD1 4.01Å; L472-L542 HydrophobicContact CD2-CD2 4.07Å; L472-L542 HydrophobicContact CD2-CG 4.24Å; L535-L542 HydrophobicContact CD1-CD1 4.18Å; S538-L542 PolarHBondContact O-N 2.87Å; A539-L542 PolarHBondContact O-N 2.8Å; L542-L544 HydrophobicContact CB-CD2 4.38Å; L542-L544 PolarHBondContact O-N 2.85Å
543P79.8Confident78.7Confident68 Ų6888.4 Ų88.444%0.44246%0.464SS..  trans-7475.7172.432.4-34.9000109.8W545 K546 C547P543-W545 PolarHBondContact O-N 3.4Å; P543-W545 VanDerWaalsContact O-N 3.15Å; P543-K546 HydrophobicContact CB-CB 4.14Å; P543-K546 HydrophobicContact CB-CD 4.12Å; P543-K546 HydrophobicContact CB-CG 4.21Å; P543-K546 HydrophobicContact CG-CB 4.35Å; P543-K546 HydrophobicContact CG-CD 4.46Å; P543-K546 WeakPolarHBondContact O-CA 3.45Å; P543-K546 WeakPolarHBondContact O-CB 3.14Å; P543-K546 PolarHBondContact O-N 3.32Å; P543-C547 PolarHBondContact O-N 3.38Å
544L80.3Confident79.5Confident103 Ų10387.5 Ų87.554%0.53946%0.456SS..Hα-helixtrans-52.9-39.5-172.3-68.1175000113L542 K546 C547 L548L542-L544 HydrophobicContact CB-CD2 4.38Å; L542-L544 PolarHBondContact O-N 2.85Å; L544-K546 VanDerWaalsContact C-N 3.35Å; L544-K546 PolarHBondContact O-N 3.41Å; L544-C547 PolarHBondContact O-N 3.08Å; L544-L548 WeakPolarHBondContact O-CB 3.2Å; L544-L548 PolarHBondContact O-N 3.33Å
545W81.4Confident80.4Confident217 Ų21786.7 Ų86.782%0.82246%0.458SS*.Hα-helixtrans-62-39.7176.1-174.9-106.5000112.9P543 L548 G549P543-W545 PolarHBondContact O-N 3.4Å; P543-W545 VanDerWaalsContact O-N 3.15Å; W545-L548 HydrophobicContact CE3-CD2 4.35Å; W545-L548 HydrophobicContact CZ3-CD2 4.3Å; W545-G549 PolarHBondContact O-N 3.21Å
546K82.1Confident81.3Confident137 Ų13790.5 Ų90.560%0.59647%0.472SS*.Hα-helixtrans-69-42.7174.9-66-174.3178.7179.90110.6P543 L544 L548 G549 Y550 L783P543-K546 HydrophobicContact CB-CB 4.14Å; P543-K546 HydrophobicContact CB-CD 4.12Å; P543-K546 HydrophobicContact CB-CG 4.21Å; P543-K546 HydrophobicContact CG-CB 4.35Å; P543-K546 HydrophobicContact CG-CD 4.46Å; P543-K546 WeakPolarHBondContact O-CA 3.45Å; P543-K546 WeakPolarHBondContact O-CB 3.14Å; P543-K546 PolarHBondContact O-N 3.32Å; L544-K546 VanDerWaalsContact C-N 3.35Å; L544-K546 PolarHBondContact O-N 3.41Å; K546-L548 VanDerWaalsContact C-N 3.35Å; K546-L548 PolarHBondContact O-N 2.62Å; K546-G549 PolarHBondContact O-N 3.48Å; K546-Y550 WeakPolarHBondContact O-CD2 3.32Å; K546-Y550 PolarHBondContact O-N 2.84Å; K546-L783 HydrophobicContact CB-CD1 4.48Å
547C82.1Confident82.2Confident42 Ų4285.2 Ų85.228%0.28445%0.446SS..Hα-helixtrans-60.1-44.3176.1-65.70000111.8P543 L544 Y550 F551P543-C547 PolarHBondContact O-N 3.38Å; L544-C547 PolarHBondContact O-N 3.08Å; C547-Y550 PolarHBondContact O-N 3.23Å; C547-F551 WeakPolarHBondContact O-CB 3.32Å; C547-F551 PolarHBondContact O-N 2.9Å
548L84.3Confident83Confident91 Ų9176.6 Ų76.648%0.47641%0.414SS..Hα-helixtrans-61.7-44.1174.9-177.764000111.4L544 W545 K546 Y550 F551 V552L544-L548 WeakPolarHBondContact O-CB 3.2Å; L544-L548 PolarHBondContact O-N 3.33Å; W545-L548 HydrophobicContact CE3-CD2 4.35Å; W545-L548 HydrophobicContact CZ3-CD2 4.3Å; K546-L548 VanDerWaalsContact C-N 3.35Å; K546-L548 PolarHBondContact O-N 2.62Å; L548-Y550 PolarHBondContact O-N 2.89Å; L548-F551 WeakPolarHBondContact O-CB 3.44Å; L548-F551 PolarHBondContact O-N 3.45Å; L548-V552 HydrophobicContact CD1-CG2 4.35Å; L548-V552 WeakPolarHBondContact O-CG2 3.33Å; L548-V552 PolarHBondContact O-N 3.26Å
549G86.3Confident84.1Confident42 Ų4279.7 Ų79.743%0.43343%0.427SS..Hα-helixtrans-59.2-44.6175.600000113.3W545 K546 L553W545-G549 PolarHBondContact O-N 3.21Å; K546-G549 PolarHBondContact O-N 3.48Å; G549-L553 WeakPolarHBondContact O-CB 3.39Å; G549-L553 PolarHBondContact O-N 3.11Å
550Y84.2Confident85.1Confident65 Ų6579.3 Ų79.326%0.25542%0.42SS..Hα-helixtrans-66.1-39.7174.4-87.2-104.6000111.9K546 C547 L548 L553 V554 L783 D784K546-Y550 WeakPolarHBondContact O-CD2 3.32Å; K546-Y550 PolarHBondContact O-N 2.84Å; C547-Y550 PolarHBondContact O-N 3.23Å; L548-Y550 PolarHBondContact O-N 2.89Å; Y550-L553 PolarHBondContact O-N 2.98Å; Y550-V554 WeakPolarHBondContact O-CB 3.46Å; Y550-V554 VanDerWaalsContact O-CG2 3.23Å; Y550-V554 WeakPolarHBondContact O-CG2 3.49Å; Y550-V554 PolarHBondContact O-N 2.96Å; Y550-L783 HydrophobicContact CD1-CB 4.26Å; Y550-L783 HydrophobicContact CD2-CB 4.47Å; Y550-L783 HydrophobicContact CD2-CD1 4.3Å; Y550-L783 HydrophobicContact CE1-CB 3.98Å; Y550-L783 WeakPolarHBondContact CE1-O 3.29Å; Y550-L783 HydrophobicContact CE2-CB 4.21Å; Y550-L783 HydrophobicContact CE2-CD1 4.33Å; Y550-L783 HydrophobicContact CG-CB 4.49Å; Y550-D784 PolarHBondContact OH-OD1 3.49Å
551F85.9Confident86.1Confident144 Ų14473.8 Ų73.863%0.63238%0.384SS*.Hα-helixtrans-59.9-50.2176.4174.4-96.6000111.5C547 L548 L553 V554 A555C547-F551 WeakPolarHBondContact O-CB 3.32Å; C547-F551 PolarHBondContact O-N 2.9Å; L548-F551 WeakPolarHBondContact O-CB 3.44Å; L548-F551 PolarHBondContact O-N 3.45Å; F551-L553 VanDerWaalsContact C-N 3.33Å; F551-L553 PolarHBondContact O-N 2.81Å; F551-V554 PolarHBondContact O-N 3Å; F551-A555 WeakPolarHBondContact O-CB 3.39Å; F551-A555 PolarHBondContact O-N 2.8Å
552V88.4Confident87Confident87 Ų8769.4 Ų69.453%0.52735%0.353SS..Hα-helixtrans-61.1-42.4177.5173.10000111L548 A555 F556L548-V552 HydrophobicContact CD1-CG2 4.35Å; L548-V552 WeakPolarHBondContact O-CG2 3.33Å; L548-V552 PolarHBondContact O-N 3.26Å; V552-A555 PolarHBondContact O-N 3.04Å; V552-F556 WeakPolarHBondContact O-CB 3.39Å; V552-F556 PolarHBondContact O-N 3.28Å
553L88.1Confident87.9Confident87 Ų8769.5 Ų69.546%0.45536%0.356SS..Hα-helixtrans-64.7-41.3178.7-173.368.9000112.4G549 Y550 F551 G557 F577G549-L553 WeakPolarHBondContact O-CB 3.39Å; G549-L553 PolarHBondContact O-N 3.11Å; Y550-L553 PolarHBondContact O-N 2.98Å; F551-L553 VanDerWaalsContact C-N 3.33Å; F551-L553 PolarHBondContact O-N 2.81Å; L553-G557 PolarHBondContact O-N 3.11Å; L553-F577 HydrophobicContact CD1-CE1 4.05Å; L553-F577 HydrophobicContact CD1-CZ 4.13Å
554V88.2Confident88.5Confident28 Ų2866.2 Ų66.217%0.1734%0.335CS..Hα-helixtrans-70-42177.7170.90000110.8Y550 F551 G557 I558 I786Y550-V554 WeakPolarHBondContact O-CB 3.46Å; Y550-V554 VanDerWaalsContact O-CG2 3.23Å; Y550-V554 WeakPolarHBondContact O-CG2 3.49Å; Y550-V554 PolarHBondContact O-N 2.96Å; F551-V554 PolarHBondContact O-N 3Å; V554-G557 CarbonylContact O-C 3.56Å; V554-G557 PolarHBondContact O-N 3Å; V554-I558 HydrophobicContact CG1-CD1 3.88Å; V554-I558 HydrophobicContact CG1-CG1 4.38Å; V554-I558 VanDerWaalsContact O-CG1 3.32Å; V554-I558 WeakPolarHBondContact O-CG1 3.32Å; V554-I558 PolarHBondContact O-N 3.13Å; V554-I786 HydrophobicContact CG2-CG2 3.6Å
555A89.4Confident88.9Confident39 Ų3961.9 Ų61.932%0.32231%0.312SS..Hα-helixtrans-59.7-49.5175.300000111F551 V552 G557 I558 E559F551-A555 WeakPolarHBondContact O-CB 3.39Å; F551-A555 PolarHBondContact O-N 2.8Å; V552-A555 PolarHBondContact O-N 3.04Å; A555-G557 VanDerWaalsContact C-N 3.3Å; A555-G557 PolarHBondContact O-N 3.36Å; A555-I558 PolarHBondContact O-N 2.97Å; A555-E559 WeakPolarHBondContact O-CG 3.35Å; A555-E559 PolarHBondContact O-N 3.36Å
556F91.9Very high89.1Confident130 Ų13055.9 Ų55.957%0.5729%0.291SS*.Hα-helixtrans-60.7-39.1174.5-177.7-97.2000112.4V552 E559 L560V552-F556 WeakPolarHBondContact O-CB 3.39Å; V552-F556 PolarHBondContact O-N 3.28Å; F556-E559 PolarHBondContact O-N 3.46Å; F556-L560 PolarHBondContact O-N 2.89Å
557G92.3Very high89.5Confident3 Ų354.5 Ų54.53%0.03129%0.287CS..Hα-helixtrans-62.5-43.5174.900000112.7L553 V554 A555 L560 L561 Y790L553-G557 PolarHBondContact O-N 3.11Å; V554-G557 CarbonylContact O-C 3.56Å; V554-G557 PolarHBondContact O-N 3Å; A555-G557 VanDerWaalsContact C-N 3.3Å; A555-G557 PolarHBondContact O-N 3.36Å; G557-L560 PolarHBondContact O-N 2.9Å; G557-L561 WeakPolarHBondContact O-CG 3.26Å; G557-L561 PolarHBondContact O-N 3.47Å; G557-Y790 WeakPolarHBondContact CA-OH 3.47Å; G557-Y790 PolarHBondContact O-OH 3.04Å
558I93.5Very high89.7Confident12 Ų1256.1 Ų56.16%0.06229%0.287CS..Hα-helixtrans-61.4-45175-73.1169.2000110.4V554 A555 L560 L561 V562 I869 V872 M873V554-I558 HydrophobicContact CG1-CD1 3.88Å; V554-I558 HydrophobicContact CG1-CG1 4.38Å; V554-I558 VanDerWaalsContact O-CG1 3.32Å; V554-I558 WeakPolarHBondContact O-CG1 3.32Å; V554-I558 PolarHBondContact O-N 3.13Å; A555-I558 PolarHBondContact O-N 2.97Å; I558-L560 VanDerWaalsContact C-N 3.35Å; I558-L560 PolarHBondContact O-N 2.88Å; I558-L561 CarbonylContact O-C 3.41Å; I558-L561 WeakPolarHBondContact O-CA 3.19Å; I558-L561 WeakPolarHBondContact O-CB 3.37Å; I558-L561 PolarHBondContact O-N 2.74Å; I558-L561 VanDerWaalsContact O-N 3.12Å; I558-V562 HydrophobicContact CG2-CG2 4.45Å; I558-V562 WeakPolarHBondContact O-CG2 3.01Å; I558-V562 PolarHBondContact O-N 2.77Å; I558-I869 HydrophobicContact CD1-CG2 4.31Å; I558-I869 HydrophobicContact CG1-CG2 4.04Å; I558-V872 HydrophobicContact CD1-CB 4.31Å; I558-V872 HydrophobicContact CD1-CG1 4.15Å; I558-V872 HydrophobicContact CG2-CG1 4.07Å; I558-M873 HydrophobicContact CG2-CG 3.81Å
559E94.3Very high90Very high84 Ų8454.1 Ų54.139%0.39328%0.281SS..Hα-helixtrans-60-44.8175.8-68.8-61.617300112A555 F556 L561 V562 V563 H876A555-E559 WeakPolarHBondContact O-CG 3.35Å; A555-E559 PolarHBondContact O-N 3.36Å; F556-E559 PolarHBondContact O-N 3.46Å; E559-L561 PolarHBondContact O-N 2.99Å; E559-V562 PolarHBondContact O-N 2.59Å; E559-V562 VanDerWaalsContact O-N 3.11Å; E559-V563 VanDerWaalsContact O-CG2 3.32Å; E559-V563 WeakPolarHBondContact O-CG2 3.49Å; E559-V563 PolarHBondContact O-N 2.73Å; E559-H876 IonicContact OE1-CE1 3.74Å; E559-H876 PolarHBondContact OE1-CE1 3.4Å; E559-H876 IonicContact OE1-ND1 3.4Å; E559-H876 IonicContact OE1-NE2 3.39Å; E559-H876 IonicContact OE2-CE1 3.42Å; E559-H876 IonicContact OE2-ND1 3.45Å
560L94.6Very high90.4Very high22 Ų2255 Ų5512%0.11527%0.274CS..Hα-helixtrans-58-40.3175.5-176.2151.9000111.4F556 G557 I558 S564 F794F556-L560 PolarHBondContact O-N 2.89Å; G557-L560 PolarHBondContact O-N 2.9Å; I558-L560 VanDerWaalsContact C-N 3.35Å; I558-L560 PolarHBondContact O-N 2.88Å; L560-S564 WeakPolarHBondContact O-CB 3.42Å; L560-S564 PolarHBondContact O-N 3.48Å; L560-F794 HydrophobicContact CD2-CD2 4.47Å; L560-F794 HydrophobicContact CD2-CE2 3.82Å
561L93.6Very high90.9Very high0 Ų051.9 Ų51.90%026%0.262CS..Hα-helixtrans-65.3-43.7174.9-68177.3000111.8G557 I558 E559 S564 F565 L571 Y790 V793 F794 I797 M873G557-L561 WeakPolarHBondContact O-CG 3.26Å; G557-L561 PolarHBondContact O-N 3.47Å; I558-L561 CarbonylContact O-C 3.41Å; I558-L561 WeakPolarHBondContact O-CA 3.19Å; I558-L561 WeakPolarHBondContact O-CB 3.37Å; I558-L561 PolarHBondContact O-N 2.74Å; I558-L561 VanDerWaalsContact O-N 3.12Å; E559-L561 PolarHBondContact O-N 2.99Å; L561-S564 WeakPolarHBondContact O-CB 3.37Å; L561-S564 PolarHBondContact O-N 3.19Å; L561-S564 PolarHBondContact O-OG 2.91Å; L561-F565 VanDerWaalsContact O-CD2 3.31Å; L561-F565 WeakPolarHBondContact O-CD2 3.44Å; L561-L571 HydrophobicContact CD2-CD2 4.48Å; L561-Y790 HydrophobicContact CD1-CD2 4.39Å; L561-Y790 HydrophobicContact CD1-CE2 3.77Å; L561-Y790 HydrophobicContact CG-CE2 4.26Å; L561-V793 HydrophobicContact CD1-CG1 3.84Å; L561-F794 HydrophobicContact CD2-CB 4.29Å; L561-F794 HydrophobicContact CD2-CD2 3.56Å; L561-F794 HydrophobicContact CD2-CE2 4.24Å; L561-F794 HydrophobicContact CD2-CG 4.28Å; L561-I797 HydrophobicContact CB-CD1 4.1Å; L561-I797 HydrophobicContact CD1-CD1 3.91Å; L561-I797 HydrophobicContact CD2-CB 4.38Å; L561-I797 HydrophobicContact CD2-CD1 3.72Å; L561-I797 HydrophobicContact CD2-CG2 4.36Å; L561-I797 HydrophobicContact CG-CD1 4.12Å; L561-M873 HydrophobicContact CB-CE 3.81Å; L561-M873 HydrophobicContact CB-SD 4.02Å; L561-M873 HydrophobicContact CD1-SD 3.93Å
562V93.4Very high91.3Very high4 Ų446.3 Ų46.32%0.02424%0.24CC..Hα-helixtrans-61.7-49.5177171.60000110.7I558 E559 S564 F565 F566 M873 H876 F877 L880I558-V562 HydrophobicContact CG2-CG2 4.45Å; I558-V562 WeakPolarHBondContact O-CG2 3.01Å; I558-V562 PolarHBondContact O-N 2.77Å; E559-V562 PolarHBondContact O-N 2.59Å; E559-V562 VanDerWaalsContact O-N 3.11Å; V562-S564 PolarHBondContact O-N 3.1Å; V562-F565 PolarHBondContact O-N 3.43Å; V562-F565 VanDerWaalsContact O-N 3.15Å; V562-F566 HydrophobicContact CG1-CE2 4.4Å; V562-M873 HydrophobicContact CG2-CB 4.5Å; V562-M873 HydrophobicContact CG2-CG 4.23Å; V562-H876 HydrophobicContact CG1-CB 4.41Å; V562-H876 HydrophobicContact CG2-CB 4.02Å; V562-F877 HydrophobicContact CB-CZ 4.28Å; V562-F877 HydrophobicContact CG1-CE1 4.09Å; V562-F877 HydrophobicContact CG1-CE2 4.45Å; V562-F877 HydrophobicContact CG1-CZ 3.92Å; V562-F877 HydrophobicContact CG2-CE2 4.2Å; V562-F877 HydrophobicContact CG2-CZ 4.38Å; V562-L880 HydrophobicContact CG1-CD1 3.99Å
563V92.9Very high91.6Very high54 Ų5446 Ų4633%0.32724%0.238SC..Hα-helixtrans-61.6-28.7178-176.40000111.3E559 F565 F566 H567 M570E559-V563 VanDerWaalsContact O-CG2 3.32Å; E559-V563 WeakPolarHBondContact O-CG2 3.49Å; E559-V563 PolarHBondContact O-N 2.73Å; V563-F565 PolarHBondContact O-N 3.24Å; V563-F566 PolarHBondContact O-N 3.5Å; V563-H567 PolarHBondContact O-N 3.18Å; V563-M570 HydrophobicContact CB-CG 4.31Å; V563-M570 HydrophobicContact CG1-CG 3.69Å
564S91.6Very high91.9Very high0 Ų042 Ų420%022%0.218CC..Hα-helixtrans-62.9-23.4178.679.90000115.2L560 L561 V562 F566 H567 R568L560-S564 WeakPolarHBondContact O-CB 3.42Å; L560-S564 PolarHBondContact O-N 3.48Å; L561-S564 WeakPolarHBondContact O-CB 3.37Å; L561-S564 PolarHBondContact O-N 3.19Å; L561-S564 PolarHBondContact O-OG 2.91Å; V562-S564 PolarHBondContact O-N 3.1Å; S564-F566 VanDerWaalsContact C-N 3.35Å; S564-H567 WeakPolarHBondContact CA-O 3.47Å; S564-H567 CarbonylContact O-C 3.52Å; S564-R568 PolarHBondContact O-N 3.39Å
565F88.3Confident92.3Very high11 Ų1140.7 Ų40.75%0.04821%0.21CC..Hα-helixtrans-70.5-33.2173.8-78.9-106.7000111.8L561 V562 V563 I797 F801 M873 F877 H896 I899 V900L561-F565 VanDerWaalsContact O-CD2 3.31Å; L561-F565 WeakPolarHBondContact O-CD2 3.44Å; V562-F565 PolarHBondContact O-N 3.43Å; V562-F565 VanDerWaalsContact O-N 3.15Å; V563-F565 PolarHBondContact O-N 3.24Å; F565-I797 HydrophobicContact CE2-CD1 4.34Å; F565-I797 HydrophobicContact CE2-CG2 4.3Å; F565-F801 HydrophobicContact CB-CZ 4.27Å; F565-F801 HydrophobicContact CD1-CE2 4.19Å; F565-F801 AromaticContact CD1-CZ 3.67Å; F565-F801 HydrophobicContact CD1-CZ 3.67Å; F565-F801 HydrophobicContact CD2-CE2 4.05Å; F565-F801 HydrophobicContact CD2-CZ 4.19Å; F565-F801 HydrophobicContact CE1-CE2 4.19Å; F565-F801 AromaticContact CE1-CZ 3.98Å; F565-F801 HydrophobicContact CE1-CZ 3.98Å; F565-F801 HydrophobicContact CE2-CE2 4.05Å; F565-F801 HydrophobicContact CE2-CZ 4.46Å; F565-F801 HydrophobicContact CG-CE2 4.13Å; F565-F801 AromaticContact CG-CZ 3.78Å; F565-F801 HydrophobicContact CG-CZ 3.78Å; F565-F801 HydrophobicContact CZ-CE2 4.12Å; F565-F801 HydrophobicContact CZ-CZ 4.36Å; F565-M873 HydrophobicContact CE2-CE 3.93Å; F565-F877 HydrophobicContact CB-CE1 4.03Å; F565-F877 HydrophobicContact CB-CZ 3.74Å; F565-F877 HydrophobicContact CD1-CZ 4.13Å; F565-F877 HydrophobicContact CD2-CE2 4.04Å; F565-F877 AromaticContact CD2-CZ 3.56Å; F565-F877 HydrophobicContact CD2-CZ 3.56Å; F565-F877 HydrophobicContact CE2-CE2 4.21Å; F565-F877 HydrophobicContact CE2-CZ 4.2Å; F565-F877 HydrophobicContact CG-CE1 4.21Å; F565-F877 HydrophobicContact CG-CE2 4.27Å; F565-F877 AromaticContact CG-CZ 3.53Å; F565-F877 HydrophobicContact CG-CZ 3.53Å; F565-H896 HydrophobicContact CD1-CB 4.09Å; F565-H896 AromaticContact CD1-CD2 3.62Å; F565-H896 AromaticContact CD1-CG 3.9Å; F565-H896 PolarHBondContact O-CE1 3.11Å; F565-H896 PolarHBondContact O-NE2 2.82Å; F565-I899 HydrophobicContact CE1-CB 4.17Å; F565-I899 HydrophobicContact CE1-CG2 3.8Å; F565-I899 HydrophobicContact CZ-CG2 4.19Å; F565-V900 HydrophobicContact CE1-CG2 4.03Å; F565-V900 HydrophobicContact CE2-CG2 4.16Å; F565-V900 HydrophobicContact CZ-CG2 3.59Å
566F86.9Confident92.6Very high91 Ų9140.8 Ų40.840%0.39921%0.21SC..Hα-helixtrans-82.5-39.1174-58.1-83.3000111.9V562 V563 S564 F877 L880V562-F566 HydrophobicContact CG1-CE2 4.4Å; V563-F566 PolarHBondContact O-N 3.5Å; S564-F566 VanDerWaalsContact C-N 3.35Å; F566-F877 AromaticContact CE2-CE1 3.97Å; F566-F877 HydrophobicContact CE2-CE1 3.97Å; F566-F877 HydrophobicContact CZ-CE1 4.31Å; F566-L880 HydrophobicContact CE2-CD1 3.97Å; F566-L880 HydrophobicContact CZ-CB 4.47Å; F566-L880 HydrophobicContact CZ-CD1 3.97Å
567H88.9Confident92.6Very high108 Ų10839.3 Ų39.350%0.520%0.204SC..  trans-133.796.3-176.2-60.3-48.6000111V563 S564 S569 M570V563-H567 PolarHBondContact O-N 3.18Å; S564-H567 WeakPolarHBondContact CA-O 3.47Å; S564-H567 CarbonylContact O-C 3.52Å; H567-S569 PolarHBondContact O-N 3.5Å; H567-M570 HydrophobicContact CB-CE 4.4Å; H567-M570 HydrophobicContact CB-CG 4.11Å; H567-M570 WeakPolarHBondContact O-CB 3.29Å; H567-M570 WeakPolarHBondContact O-CG 3.18Å; H567-M570 PolarHBondContact O-N 2.98Å
568R87.2Confident92.7Very high76 Ų7639.6 Ų39.629%0.28721%0.205SC..THydrogen-bonded Turntrans-52.8-29.7178.8-60.9-171.8-57.7-128.8-6113.6S564 M570 L571 P609 V613 F801S564-R568 PolarHBondContact O-N 3.39Å; R568-M570 PolarHBondContact O-N 3.05Å; R568-M570 VanDerWaalsContact O-N 3.11Å; R568-L571 WeakPolarHBondContact O-CB 3.01Å; R568-L571 PolarHBondContact O-N 3.11Å; R568-P609 HydrophobicContact CB-CB 4.31Å; R568-P609 WeakPolarHBondContact CB-O 3.44Å; R568-P609 WeakPolarHBondContact O-CB 3.3Å; R568-V613 VanDerWaalsContact CZ-CG2 3.41Å; R568-F801 HydrophobicContact CG-CD1 3.86Å; R568-F801 HydrophobicContact CG-CE1 4.39Å; R568-F801 HydrophobicContact CG-CG 4.44Å
569S91.2Very high92.7Very high49 Ų4939.4 Ų39.434%0.34321%0.205SC..Hα-helixtrans-56.2-24.5175.556.20000113H567 L571 T572 V573H567-S569 PolarHBondContact O-N 3.5Å; S569-L571 PolarHBondContact O-N 3.44Å; S569-T572 WeakPolarHBondContact O-CA 3.49Å; S569-T572 WeakPolarHBondContact O-CB 2.96Å; S569-T572 PolarHBondContact O-N 2.66Å; S569-T572 PolarHBondContact O-OG1 3.2Å; S569-V573 PolarHBondContact O-N 3.15Å
570M94Very high92.7Very high60 Ų6039 Ų3930%0.29620%0.204SC..Hα-helixtrans-64.8-25.3175.4-63.2-55.3158.500113.3V563 H567 R568 T572 V573 G574V563-M570 HydrophobicContact CB-CG 4.31Å; V563-M570 HydrophobicContact CG1-CG 3.69Å; H567-M570 HydrophobicContact CB-CE 4.4Å; H567-M570 HydrophobicContact CB-CG 4.11Å; H567-M570 WeakPolarHBondContact O-CB 3.29Å; H567-M570 WeakPolarHBondContact O-CG 3.18Å; H567-M570 PolarHBondContact O-N 2.98Å; R568-M570 PolarHBondContact O-N 3.05Å; R568-M570 VanDerWaalsContact O-N 3.11Å; M570-T572 VanDerWaalsContact C-N 3.27Å; M570-T572 PolarHBondContact O-N 2.97Å; M570-V573 WeakPolarHBondContact O-CB 3.49Å; M570-V573 PolarHBondContact O-N 3.4Å; M570-V573 HydrophobicContact SD-CG2 4.31Å; M570-G574 PolarHBondContact O-N 3.43Å
571L94.1Very high92.5Very high0 Ų039.5 Ų39.50%021%0.205CC..Hα-helixtrans-68.2-30.2170.7-61.9171.5000111.9L561 R568 S569 G574 L575 P609 F794 I797 F801L561-L571 HydrophobicContact CD2-CD2 4.48Å; R568-L571 WeakPolarHBondContact O-CB 3.01Å; R568-L571 PolarHBondContact O-N 3.11Å; S569-L571 PolarHBondContact O-N 3.44Å; L571-G574 PolarHBondContact O-N 2.72Å; L571-L575 WeakPolarHBondContact O-CB 3.33Å; L571-L575 VanDerWaalsContact O-CG 3.27Å; L571-L575 WeakPolarHBondContact O-CG 3.37Å; L571-L575 PolarHBondContact O-N 3.04Å; L571-P609 HydrophobicContact CB-CB 4.08Å; L571-P609 HydrophobicContact CB-CG 3.8Å; L571-P609 HydrophobicContact CD1-CG 4.48Å; L571-F794 HydrophobicContact CD2-CE2 4.11Å; L571-F794 HydrophobicContact CD2-CZ 4.26Å; L571-I797 HydrophobicContact CD1-CG2 4.42Å; L571-I797 HydrophobicContact CD2-CG2 3.95Å; L571-F801 HydrophobicContact CD1-CB 3.58Å; L571-F801 HydrophobicContact CD1-CD2 3.74Å; L571-F801 HydrophobicContact CD1-CG 3.95Å
572T94.9Very high92.4Very high27 Ų2739.6 Ų39.617%0.16621%0.205CC..Hα-helixtrans-64.1-46.7171.9-53.10000109.8S569 M570 G574 L575 A576 A606 L610S569-T572 WeakPolarHBondContact O-CA 3.49Å; S569-T572 WeakPolarHBondContact O-CB 2.96Å; S569-T572 PolarHBondContact O-N 2.66Å; S569-T572 PolarHBondContact O-OG1 3.2Å; M570-T572 VanDerWaalsContact C-N 3.27Å; M570-T572 PolarHBondContact O-N 2.97Å; T572-G574 VanDerWaalsContact C-N 3.34Å; T572-G574 PolarHBondContact O-N 3.29Å; T572-L575 PolarHBondContact O-N 2.86Å; T572-A576 WeakPolarHBondContact O-CB 3.34Å; T572-A576 PolarHBondContact O-N 3.2Å; T572-A606 HydrophobicContact CG2-CB 3.83Å; T572-A606 WeakPolarHBondContact CG2-O 3.29Å; T572-A606 PolarHBondContact OG1-O 3.42Å; T572-L610 HydrophobicContact CG2-CD1 3.98Å; T572-L610 HydrophobicContact CG2-CD2 4.32Å; T572-L610 HydrophobicContact CG2-CG 4.19Å; T572-L610 WeakPolarHBondContact OG1-CD2 3.31Å; T572-L610 WeakPolarHBondContact OG1-CG 3.39Å
573V95.1Very high92.2Very high82 Ų8243.2 Ų43.250%0.49722%0.224SC..Hα-helixtrans-60.9-44.7175.9-179.50000110.5S569 M570 A576 F577S569-V573 PolarHBondContact O-N 3.15Å; M570-V573 WeakPolarHBondContact O-CB 3.49Å; M570-V573 PolarHBondContact O-N 3.4Å; M570-V573 HydrophobicContact SD-CG2 4.31Å; V573-A576 PolarHBondContact O-N 2.83Å; V573-F577 PolarHBondContact O-N 3Å
574G94.6Very high91.9Very high3 Ų346.8 Ų46.83%0.03124%0.241CC..Hα-helixtrans-59.9-47175.400000112.7M570 L571 T572 A576 F577 L578M570-G574 PolarHBondContact O-N 3.43Å; L571-G574 PolarHBondContact O-N 2.72Å; T572-G574 VanDerWaalsContact C-N 3.34Å; T572-G574 PolarHBondContact O-N 3.29Å; G574-A576 VanDerWaalsContact C-N 3.34Å; G574-A576 PolarHBondContact O-N 2.89Å; G574-F577 PolarHBondContact O-N 3.4Å; G574-L578 WeakPolarHBondContact O-CB 3.5Å; G574-L578 VanDerWaalsContact O-CG 3.31Å; G574-L578 WeakPolarHBondContact O-CG 3.49Å; G574-L578 PolarHBondContact O-N 2.99Å
575L96.1Very high91.6Very high0 Ų049.4 Ų49.40%026%0.259CS..Hα-helixtrans-63.9-38.3176.7-77.2165.5000112.1L571 T572 L578 S579 L605 A606 F794 F795 T798L571-L575 WeakPolarHBondContact O-CB 3.33Å; L571-L575 VanDerWaalsContact O-CG 3.27Å; L571-L575 WeakPolarHBondContact O-CG 3.37Å; L571-L575 PolarHBondContact O-N 3.04Å; T572-L575 PolarHBondContact O-N 2.86Å; L575-L578 PolarHBondContact O-N 3.42Å; L575-S579 WeakPolarHBondContact O-CB 3.35Å; L575-S579 PolarHBondContact O-N 3.5Å; L575-L605 HydrophobicContact CD1-CB 4.09Å; L575-L605 HydrophobicContact CD1-CD2 4.35Å; L575-L605 HydrophobicContact CD1-CG 4.15Å; L575-L605 HydrophobicContact CD2-CD2 4.12Å; L575-A606 HydrophobicContact CB-CB 3.89Å; L575-A606 HydrophobicContact CD1-CB 4.05Å; L575-F794 HydrophobicContact CD2-CE1 3.72Å; L575-F794 HydrophobicContact CD2-CZ 4.41Å; L575-F794 HydrophobicContact CG-CE1 3.76Å; L575-F794 HydrophobicContact CG-CZ 3.96Å; L575-F795 HydrophobicContact CD2-CE1 4.11Å; L575-T798 HydrophobicContact CD1-CG2 4.13Å
576A95.1Very high91.4Very high40 Ų4051 Ų5133%0.33128%0.278SS..Hα-helixtrans-62.2-44.3173.400000111.2T572 V573 G574 S579T572-A576 WeakPolarHBondContact O-CB 3.34Å; T572-A576 PolarHBondContact O-N 3.2Å; V573-A576 PolarHBondContact O-N 2.83Å; G574-A576 VanDerWaalsContact C-N 3.34Å; G574-A576 PolarHBondContact O-N 2.89Å; A576-S579 WeakPolarHBondContact O-CB 3.47Å; A576-S579 PolarHBondContact O-N 2.85Å; A576-S579 PolarHBondContact O-OG 3.02Å
577F93.1Very high91.3Very high100 Ų10047 Ų4744%0.43926%0.261SS..Hα-helixtrans-64.7-44.8175.5-175-100.1000112.2L553 V573 G574 S579 L580L553-F577 HydrophobicContact CD1-CE1 4.05Å; L553-F577 HydrophobicContact CD1-CZ 4.13Å; V573-F577 PolarHBondContact O-N 3Å; G574-F577 PolarHBondContact O-N 3.4Å; F577-S579 PolarHBondContact O-N 3.3Å; F577-L580 WeakPolarHBondContact O-CB 3.48Å; F577-L580 PolarHBondContact O-N 3Å; F577-L580 VanDerWaalsContact O-N 3.11Å
578L93.4Very high91.2Very high9 Ų945.2 Ų45.25%0.04725%0.252CS..Hα-helixtrans-60.9-32.6175.6-70.7-175.2000112.4G574 L575 L580 W581 W598 F791 F794G574-L578 WeakPolarHBondContact O-CB 3.5Å; G574-L578 VanDerWaalsContact O-CG 3.31Å; G574-L578 WeakPolarHBondContact O-CG 3.49Å; G574-L578 PolarHBondContact O-N 2.99Å; L575-L578 PolarHBondContact O-N 3.42Å; L578-L580 PolarHBondContact O-N 3.28Å; L578-W581 WeakPolarHBondContact O-CB 3.4Å; L578-W581 PolarHBondContact O-N 3.13Å; L578-W581 VanDerWaalsContact O-N 3.12Å; L578-W598 HydrophobicContact CB-CZ2 4.47Å; L578-W598 PolarHBondContact O-NE1 3.47Å; L578-F791 HydrophobicContact CD2-CD1 3.84Å; L578-F791 HydrophobicContact CD2-CE1 3.24Å; L578-F791 HydrophobicContact CD2-CZ 3.67Å; L578-F794 HydrophobicContact CD1-CD1 3.46Å; L578-F794 VanDerWaalsContact CD1-CD1 3.46Å; L578-F794 HydrophobicContact CD1-CD2 4.45Å; L578-F794 HydrophobicContact CD1-CE1 3.57Å; L578-F794 HydrophobicContact CD1-CG 3.96Å; L578-F794 HydrophobicContact CD1-CZ 4.14Å
579S94.6Very high90.9Very high8 Ų845.3 Ų45.36%0.05628%0.276CS..Hα-helixtrans-59.8-27.2177.184.90000112.9L575 A576 F577 P582L575-S579 WeakPolarHBondContact O-CB 3.35Å; L575-S579 PolarHBondContact O-N 3.5Å; A576-S579 WeakPolarHBondContact O-CB 3.47Å; A576-S579 PolarHBondContact O-N 2.85Å; A576-S579 PolarHBondContact O-OG 3.02Å; F577-S579 PolarHBondContact O-N 3.3Å; S579-P582 WeakPolarHBondContact O-CD 3.13Å
580L93Very high90.5Very high74 Ų7449.8 Ų49.839%0.38729%0.29SS..THydrogen-bonded Turntrans-84.8-10.9-179.3-58.6176.8000113.5F577 L578 L583 L584F577-L580 WeakPolarHBondContact O-CB 3.48Å; F577-L580 PolarHBondContact O-N 3Å; F577-L580 VanDerWaalsContact O-N 3.11Å; L578-L580 PolarHBondContact O-N 3.28Å; L580-L583 HydrophobicContact CD2-CD1 3.93Å; L580-L583 WeakPolarHBondContact O-CB 3.38Å; L580-L583 PolarHBondContact O-N 3.21Å; L580-L584 HydrophobicContact CB-CD1 4.35Å; L580-L584 HydrophobicContact CB-CG 4.5Å; L580-L584 WeakPolarHBondContact O-CG 3.2Å; L580-L584 PolarHBondContact O-N 3.45Å
581W91.4Very high90.1Very high33 Ų3347.6 Ų47.613%0.12528%0.281CS..Hα-helixtrans-53-44.7-176.9166.854.7000114.2L578 L583 L584 S585 L587 W598 I748 A752 F791L578-W581 WeakPolarHBondContact O-CB 3.4Å; L578-W581 PolarHBondContact O-N 3.13Å; L578-W581 VanDerWaalsContact O-N 3.12Å; W581-L583 PolarHBondContact O-N 3.44Å; W581-L584 PolarHBondContact O-N 3.22Å; W581-S585 WeakPolarHBondContact O-CB 3.22Å; W581-S585 PolarHBondContact O-N 2.86Å; W581-S585 PolarHBondContact O-OG 3.16Å; W581-L587 HydrophobicContact CH2-CD1 4.32Å; W581-L587 HydrophobicContact CZ2-CD1 3.97Å; W581-W598 HydrophobicContact CE3-CZ2 4.02Å; W581-W598 HydrophobicContact CZ3-CZ2 4.48Å; W581-I748 HydrophobicContact CH2-CG2 4.1Å; W581-I748 HydrophobicContact CZ3-CD1 4.48Å; W581-I748 HydrophobicContact CZ3-CG1 4.49Å; W581-I748 HydrophobicContact CZ3-CG2 3.66Å; W581-A752 HydrophobicContact CZ2-CB 4.44Å; W581-F791 HydrophobicContact CD2-CE2 4.09Å; W581-F791 AromaticContact CD2-CZ 3.99Å; W581-F791 HydrophobicContact CD2-CZ 3.99Å; W581-F791 AromaticContact CE3-CE2 3.65Å; W581-F791 HydrophobicContact CE3-CE2 3.65Å; W581-F791 AromaticContact CE3-CZ 4Å; W581-F791 HydrophobicContact CE3-CZ 4Å; W581-F791 HydrophobicContact CG-CZ 4.2Å; W581-F791 AromaticContact CZ3-CE2 3.88Å; W581-F791 HydrophobicContact CZ3-CE2 3.88Å
582P91.1Very high89.8Confident2 Ų254.4 Ų54.41%0.01331%0.311CS..Hα-helixtrans-64.4-27.3178.1-23.736.1000114S579 S585 G586 L587 F588 W598 I748S579-P582 WeakPolarHBondContact O-CD 3.13Å; P582-S585 WeakPolarHBondContact CA-OG 3.41Å; P582-G586 PolarHBondContact O-N 3.38Å; P582-L587 HydrophobicContact CB-CB 4.29Å; P582-L587 PolarHBondContact O-N 3.29Å; P582-F588 PolarHBondContact O-N 3.11Å; P582-W598 HydrophobicContact CG-CB 4.38Å; P582-W598 VanDerWaalsContact CG-CD1 3.45Å; P582-W598 HydrophobicContact CG-CG 3.98Å; P582-I748 HydrophobicContact CB-CD1 4.05Å; P582-I748 HydrophobicContact CG-CD1 3.54Å
583L89.1Confident89.5Confident80 Ų8060 Ų6042%0.41934%0.339SS..Hα-helixtrans-73.9-50175.1-65.3165.7000110.1L580 W581 S585 G586 F588L580-L583 HydrophobicContact CD2-CD1 3.93Å; L580-L583 WeakPolarHBondContact O-CB 3.38Å; L580-L583 PolarHBondContact O-N 3.21Å; W581-L583 PolarHBondContact O-N 3.44Å; L583-S585 VanDerWaalsContact C-N 3.29Å; L583-S585 PolarHBondContact O-N 3.45Å; L583-G586 PolarHBondContact O-N 2.82Å; L583-G586 VanDerWaalsContact O-N 3.14Å; L583-F588 HydrophobicContact CD2-CB 3.75Å; L583-F588 HydrophobicContact CD2-CD1 4.03Å; L583-F588 HydrophobicContact CD2-CD2 3.56Å; L583-F588 HydrophobicContact CD2-CE2 4.13Å; L583-F588 HydrophobicContact CD2-CG 3.5Å; L583-F588 HydrophobicContact CG-CD2 4.36Å
584L87.1Confident89.3Confident129 Ų12960 Ų6068%0.67533%0.33SS*.Hα-helixtrans-64.5-31.9-178.6-63.1175.4000113.1L580 W581L580-L584 HydrophobicContact CB-CD1 4.35Å; L580-L584 HydrophobicContact CB-CG 4.5Å; L580-L584 WeakPolarHBondContact O-CG 3.2Å; L580-L584 PolarHBondContact O-N 3.45Å; W581-L584 PolarHBondContact O-N 3.22Å
585S84.1Confident89.2Confident56 Ų5660 Ų6039%0.39233%0.329SS..THydrogen-bonded Turntrans-86.8-2.8177.956.90000114.1W581 P582 L583 L587W581-S585 WeakPolarHBondContact O-CB 3.22Å; W581-S585 PolarHBondContact O-N 2.86Å; W581-S585 PolarHBondContact O-OG 3.16Å; P582-S585 WeakPolarHBondContact CA-OG 3.41Å; L583-S585 VanDerWaalsContact C-N 3.29Å; L583-S585 PolarHBondContact O-N 3.45Å; S585-L587 PolarHBondContact O-N 3.16Å; S585-L587 WeakPolarHBondContact OG-CD1 3.26Å; S585-L587 WeakPolarHBondContact OG-CG 3.44Å
586G83.9Confident89.1Confident43 Ų4364 Ų6444%0.44335%0.35SS..THydrogen-bonded Turntrans726.8-176.300000114.8P582 L583 F588 G589P582-G586 PolarHBondContact O-N 3.38Å; L583-G586 PolarHBondContact O-N 2.82Å; L583-G586 VanDerWaalsContact O-N 3.14Å; G586-F588 PolarHBondContact O-N 3.1Å; G586-G589 PolarHBondContact O-N 3.34Å
587L85.9Confident89Confident8 Ų863.4 Ų63.44%0.04234%0.344CS..Hα-helixtrans-66.7-26.4177.3-67.5173.2000112.6W581 P582 S585 G589 K590 A591 A752 A755W581-L587 HydrophobicContact CH2-CD1 4.32Å; W581-L587 HydrophobicContact CZ2-CD1 3.97Å; P582-L587 HydrophobicContact CB-CB 4.29Å; P582-L587 PolarHBondContact O-N 3.29Å; S585-L587 PolarHBondContact O-N 3.16Å; S585-L587 WeakPolarHBondContact OG-CD1 3.26Å; S585-L587 WeakPolarHBondContact OG-CG 3.44Å; L587-G589 PolarHBondContact O-N 3.27Å; L587-K590 PolarHBondContact O-N 3Å; L587-A591 PolarHBondContact O-N 3.43Å; L587-A752 HydrophobicContact CD1-CB 3.87Å; L587-A752 HydrophobicContact CD2-CB 4.24Å; L587-A755 HydrophobicContact CD2-CB 3.76Å
588F86Confident89.1Confident71 Ų7158.6 Ų58.631%0.31132%0.323SS..Hα-helixtrans-56.5-37.7177.7-169.4-92.3000112.7P582 L583 G586 K590 K592P582-F588 PolarHBondContact O-N 3.11Å; L583-F588 HydrophobicContact CD2-CB 3.75Å; L583-F588 HydrophobicContact CD2-CD1 4.03Å; L583-F588 HydrophobicContact CD2-CD2 3.56Å; L583-F588 HydrophobicContact CD2-CE2 4.13Å; L583-F588 HydrophobicContact CD2-CG 3.5Å; L583-F588 HydrophobicContact CG-CD2 4.36Å; G586-F588 PolarHBondContact O-N 3.1Å; F588-K590 VanDerWaalsContact C-N 3.32Å; F588-K590 PolarHBondContact O-N 3.36Å; F588-K592 HydrophobicContact CE1-CG 4.22Å; F588-K592 HydrophobicContact CZ-CG 4.06Å; F588-K592 WeakPolarHBondContact O-CA 3.4Å; F588-K592 PolarHBondContact O-N 3.03Å
589G81.7Confident89.2Confident77 Ų7760.2 Ų60.279%0.79433%0.331SS*.Hα-helixtrans-69.7-26.8176.600000113.8G586 L587G586-G589 PolarHBondContact O-N 3.34Å; L587-G589 PolarHBondContact O-N 3.27Å
590K82.5Confident89.2Confident144 Ų14463.7 Ų63.763%0.62635%0.349SS*.Hα-helixtrans-94.2-35.3-176.9-63.3-177.1-179.9-179.20113L587 F588 A755L587-K590 PolarHBondContact O-N 3Å; F588-K590 VanDerWaalsContact C-N 3.32Å; F588-K590 PolarHBondContact O-N 3.36Å; K590-A755 HydrophobicContact CD-CB 3.8Å; K590-A755 PolarHBondContact NZ-O 3.28Å
591A84.9Confident89.3Confident13 Ų1360.1 Ų60.111%0.10733%0.33CS..  trans-137.763.4-173.800000111.8L587 L593 R594 S595 E751L587-A591 PolarHBondContact O-N 3.43Å; A591-L593 PolarHBondContact O-N 3.26Å; A591-R594 HydrophobicContact CB-CB 4.49Å; A591-R594 PolarHBondContact O-N 3.28Å; A591-S595 WeakPolarHBondContact O-CB 3.23Å; A591-S595 PolarHBondContact O-N 3.01Å; A591-S595 PolarHBondContact O-OG 3Å; A591-E751 HydrophobicContact CB-CB 4.22Å; A591-E751 HydrophobicContact CB-CG 3.92Å
592K88.5Confident89.6Confident144 Ų14458.6 Ų58.663%0.62632%0.324SS*.Hα-helixtrans-54.8-48.3-172.9-168.9175.7-177.6178.70114F588 R594 S595 L596F588-K592 HydrophobicContact CE1-CG 4.22Å; F588-K592 HydrophobicContact CZ-CG 4.06Å; F588-K592 WeakPolarHBondContact O-CA 3.4Å; F588-K592 PolarHBondContact O-N 3.03Å; K592-R594 PolarHBondContact O-N 3.11Å; K592-S595 PolarHBondContact O-N 2.91Å; K592-L596 WeakPolarHBondContact O-CB 3.16Å; K592-L596 PolarHBondContact O-N 3.4Å
593L89.4Confident89.8Confident145 Ų14562.3 Ų62.376%0.75934%0.344SS*.Hα-helixtrans-64-43.5-177.4-176.665.5000112.5A591 S597A591-L593 PolarHBondContact O-N 3.26Å; L593-S597 PolarHBondContact O-N 3.09Å
594R89.5Confident90.1Very high80 Ų8061.2 Ų61.230%0.30234%0.342SS..Hα-helixtrans-70.3-37.9178.6-64.9-175.7-175.5174.118.4111.6A591 K592 S597 W598 N747 E751A591-R594 HydrophobicContact CB-CB 4.49Å; A591-R594 PolarHBondContact O-N 3.28Å; K592-R594 PolarHBondContact O-N 3.11Å; R594-S597 PolarHBondContact O-N 3.49Å; R594-W598 PolarHBondContact O-N 3.35Å; R594-N747 PolarHBondContact NH1-O 2.75Å; R594-E751 IonicContact CZ-OE1 3.29Å; R594-E751 IonicContact NE-OE1 3.36Å; R594-E751 IonicContact NH1-OE1 3.98Å; R594-E751 PolarHBondContact NH1-OE1 2.85Å; R594-E751 IonicContact NH2-OE1 2.69Å; R594-E751 PolarHBondContact NH2-OE1 3.34Å
595S92.3Very high90.4Very high3 Ų355 Ų552%0.02131%0.31CS..Hα-helixtrans-65.2-40.6176.1-56.20000111.8A591 K592 W598 L599A591-S595 WeakPolarHBondContact O-CB 3.23Å; A591-S595 PolarHBondContact O-N 3.01Å; A591-S595 PolarHBondContact O-OG 3Å; K592-S595 PolarHBondContact O-N 2.91Å; S595-W598 WeakPolarHBondContact O-CB 3.25Å; S595-W598 PolarHBondContact O-N 3.44Å; S595-L599 PolarHBondContact O-N 2.99Å
596L93.7Very high90.9Very high84 Ų8452.7 Ų52.744%0.4429%0.294SS..Hα-helixtrans-65.6-41.8173.8-174.766.5000111.7K592 W598 L599 L600K592-L596 WeakPolarHBondContact O-CB 3.16Å; K592-L596 PolarHBondContact O-N 3.4Å; L596-W598 VanDerWaalsContact C-N 3.29Å; L596-W598 PolarHBondContact O-N 2.79Å; L596-L599 PolarHBondContact O-N 3.29Å; L596-L600 HydrophobicContact CG-CD1 4.13Å; L596-L600 WeakPolarHBondContact O-CG 3.39Å; L596-L600 PolarHBondContact O-N 3.3Å
597S93.6Very high91.4Very high28 Ų2854.4 Ų54.420%0.19630%0.295CS..Hα-helixtrans-64.3-33.2175.7-168.10000112.6L593 R594 G601 W740 V744L593-S597 PolarHBondContact O-N 3.09Å; R594-S597 PolarHBondContact O-N 3.49Å; S597-G601 PolarHBondContact O-N 3.13Å; S597-W740 PolarHBondContact OG-NE1 3.2Å; S597-W740 VanDerWaalsContact OG-NE1 3.14Å; S597-V744 VanDerWaalsContact OG-CG2 3.27Å; S597-V744 WeakPolarHBondContact OG-CG2 3.42Å
598W95.5Very high91.6Very high0 Ų055.2 Ų55.20%030%0.299CS..Hα-helixtrans-66.1-49.8174.5171.4-91.9000110.6L578 W581 P582 R594 S595 L596 L600 G601 C602 L741 V744 W745 I748 F791 F795L578-W598 HydrophobicContact CB-CZ2 4.47Å; L578-W598 PolarHBondContact O-NE1 3.47Å; W581-W598 HydrophobicContact CE3-CZ2 4.02Å; W581-W598 HydrophobicContact CZ3-CZ2 4.48Å; P582-W598 HydrophobicContact CG-CB 4.38Å; P582-W598 VanDerWaalsContact CG-CD1 3.45Å; P582-W598 HydrophobicContact CG-CG 3.98Å; R594-W598 PolarHBondContact O-N 3.35Å; S595-W598 WeakPolarHBondContact O-CB 3.25Å; S595-W598 PolarHBondContact O-N 3.44Å; L596-W598 VanDerWaalsContact C-N 3.29Å; L596-W598 PolarHBondContact O-N 2.79Å; W598-L600 PolarHBondContact O-N 2.84Å; W598-G601 PolarHBondContact O-N 3.27Å; W598-C602 PolarHBondContact O-N 3.28Å; W598-C602 PolarHBondContact O-SG 2.97Å; W598-L741 HydrophobicContact CD2-CD1 4.19Å; W598-L741 HydrophobicContact CE3-CD1 3.66Å; W598-L741 HydrophobicContact CZ3-CD1 3.87Å; W598-V744 HydrophobicContact CB-CG1 3.78Å; W598-V744 HydrophobicContact CE3-CG1 4.26Å; W598-W745 HydrophobicContact CH2-CG 4.33Å; W598-W745 HydrophobicContact CZ3-CB 3.72Å; W598-W745 AromaticContact CZ3-CD1 3.87Å; W598-W745 AromaticContact CZ3-CG 3.87Å; W598-W745 HydrophobicContact CZ3-CG 3.87Å; W598-I748 HydrophobicContact CB-CD1 4.04Å; W598-I748 HydrophobicContact CE3-CG2 4.21Å; W598-I748 HydrophobicContact CG-CD1 4.26Å; W598-F791 HydrophobicContact CH2-CD2 4.03Å; W598-F791 AromaticContact CH2-CE2 3.87Å; W598-F791 HydrophobicContact CH2-CE2 3.87Å; W598-F791 HydrophobicContact CZ2-CD2 4.42Å; W598-F791 AromaticContact CZ2-CE2 3.85Å; W598-F791 HydrophobicContact CZ2-CE2 3.85Å; W598-F795 HydrophobicContact CH2-CE2 4.09Å; W598-F795 AromaticContact CH2-CZ 3.78Å; W598-F795 HydrophobicContact CH2-CZ 3.78Å; W598-F795 HydrophobicContact CZ3-CZ 4.38Å
599L95.6Very high91.8Very high43 Ų4352 Ų5223%0.22529%0.285CS..Hα-helixtrans-57.2-49.7178.4-177.7146.6000111.2S595 L596 C602 L603S595-L599 PolarHBondContact O-N 2.99Å; L596-L599 PolarHBondContact O-N 3.29Å; L599-C602 PolarHBondContact O-N 2.8Å; L599-L603 HydrophobicContact CD2-CD1 3.67Å; L599-L603 HydrophobicContact CG-CD1 4.37Å; L599-L603 WeakPolarHBondContact O-CG 3.39Å; L599-L603 PolarHBondContact O-N 3.29Å
600L95.3Very high92.1Very high80 Ų8053.3 Ų53.342%0.41927%0.273SS..Hα-helixtrans-63.2-42.9177.7-71.1167.7000112.3L596 W598 C602 L603 C604 W740L596-L600 HydrophobicContact CG-CD1 4.13Å; L596-L600 WeakPolarHBondContact O-CG 3.39Å; L596-L600 PolarHBondContact O-N 3.3Å; W598-L600 PolarHBondContact O-N 2.84Å; L600-C602 PolarHBondContact O-N 3.42Å; L600-L603 PolarHBondContact O-N 3.33Å; L600-C604 WeakPolarHBondContact O-CB 3.4Å; L600-C604 PolarHBondContact O-N 2.75Å; L600-C604 PolarHBondContact O-SG 2.84Å; L600-W740 HydrophobicContact CB-CH2 3.87Å; L600-W740 HydrophobicContact CB-CZ2 4.42Å
601G95.3Very high92.2Very high0 Ų049.5 Ų49.50%026%0.259CS..Hα-helixtrans-61.1-43.2177.800000112.7S597 W598 L605S597-G601 PolarHBondContact O-N 3.13Å; W598-G601 PolarHBondContact O-N 3.27Å; G601-L605 WeakPolarHBondContact O-CB 3.33Å; G601-L605 PolarHBondContact O-N 3.22Å
602C96.7Very high91.7Very high0 Ų052.5 Ų52.50%028%0.277CS..Hα-helixtrans-61.7-46.6174.6-73.70000111.9W598 L599 L600 L605 A606W598-C602 PolarHBondContact O-N 3.28Å; W598-C602 PolarHBondContact O-SG 2.97Å; L599-C602 PolarHBondContact O-N 2.8Å; L600-C602 PolarHBondContact O-N 3.42Å; C602-L605 PolarHBondContact O-N 3.02Å; C602-A606 WeakPolarHBondContact O-CB 3.35Å; C602-A606 PolarHBondContact O-N 3.19Å
603L95.6Very high90.8Very high81 Ų8147.1 Ų47.142%0.42426%0.256SS..Hα-helixtrans-66.4-39.3-179.7-67.2177.9000112.5L599 L600 A606L599-L603 HydrophobicContact CD2-CD1 3.67Å; L599-L603 HydrophobicContact CG-CD1 4.37Å; L599-L603 WeakPolarHBondContact O-CG 3.39Å; L599-L603 PolarHBondContact O-N 3.29Å; L600-L603 PolarHBondContact O-N 3.33Å; L603-A606 WeakPolarHBondContact O-CB 3.34Å; L603-A606 PolarHBondContact O-N 3.07Å
604C94.7Very high89.6Confident56 Ų5644.1 Ų44.138%0.37824%0.244SC..Hα-helixtrans-63.4-42.4174-71.60000111.6L600 A606 V607 V737 W740L600-C604 WeakPolarHBondContact O-CB 3.4Å; L600-C604 PolarHBondContact O-N 2.75Å; L600-C604 PolarHBondContact O-SG 2.84Å; C604-A606 VanDerWaalsContact C-N 3.26Å; C604-A606 PolarHBondContact O-N 2.85Å; C604-V607 PolarHBondContact O-N 3.42Å; C604-V737 HydrophobicContact CB-CG1 3.87Å; C604-W740 HydrophobicContact CB-CZ3 4.44Å
605L94.4Very high88.2Confident0 Ų043 Ų430%026%0.257CS..Hα-helixtrans-68.6-28.5177.7-160.567.9000112L575 G601 C602 V607 F608 P609 F734 V737 L738 L741 T798L575-L605 HydrophobicContact CD1-CB 4.09Å; L575-L605 HydrophobicContact CD1-CD2 4.35Å; L575-L605 HydrophobicContact CD1-CG 4.15Å; L575-L605 HydrophobicContact CD2-CD2 4.12Å; G601-L605 WeakPolarHBondContact O-CB 3.33Å; G601-L605 PolarHBondContact O-N 3.22Å; C602-L605 PolarHBondContact O-N 3.02Å; L605-V607 PolarHBondContact O-N 3.11Å; L605-F608 HydrophobicContact CD1-CD2 4.28Å; L605-F608 PolarHBondContact O-N 3.33Å; L605-P609 WeakPolarHBondContact O-CD 3.33Å; L605-F734 HydrophobicContact CD1-CD2 3.75Å; L605-F734 HydrophobicContact CD1-CE2 3.35Å; L605-F734 HydrophobicContact CD1-CZ 4.03Å; L605-F734 HydrophobicContact CG-CE2 4.12Å; L605-V737 HydrophobicContact CB-CG1 4.36Å; L605-V737 HydrophobicContact CD1-CG1 4.05Å; L605-L738 HydrophobicContact CD1-CB 4.27Å; L605-L738 HydrophobicContact CD2-CD1 4.03Å; L605-L741 HydrophobicContact CB-CD2 4.47Å; L605-L741 HydrophobicContact CD2-CD2 3.69Å; L605-T798 HydrophobicContact CD2-CG2 3.84Å; L605-T798 HydrophobicContact CG-CG2 4.19Å
606A94.7Very high87.1Confident7 Ų746 Ų466%0.05827%0.267CS..Hα-helixtrans-66.9-15.7179.800000113.4T572 L575 C602 L603 C604 P609T572-A606 HydrophobicContact CG2-CB 3.83Å; T572-A606 WeakPolarHBondContact CG2-O 3.29Å; T572-A606 PolarHBondContact OG1-O 3.42Å; L575-A606 HydrophobicContact CB-CB 3.89Å; L575-A606 HydrophobicContact CD1-CB 4.05Å; C602-A606 WeakPolarHBondContact O-CB 3.35Å; C602-A606 PolarHBondContact O-N 3.19Å; L603-A606 WeakPolarHBondContact O-CB 3.34Å; L603-A606 PolarHBondContact O-N 3.07Å; C604-A606 VanDerWaalsContact C-N 3.26Å; C604-A606 PolarHBondContact O-N 2.85Å; A606-P609 WeakPolarHBondContact O-CD 3.42Å
607V92.8Very high86.1Confident78 Ų7850.1 Ų50.147%0.47328%0.284SS..THydrogen-bonded Turntrans-69.3-37.6174.7-179.70000111.4C604 L605 L610 M611C604-V607 PolarHBondContact O-N 3.42Å; L605-V607 PolarHBondContact O-N 3.11Å; V607-L610 WeakPolarHBondContact O-CB 3.49Å; V607-L610 PolarHBondContact O-N 3.3Å; V607-L610 VanDerWaalsContact O-N 3.14Å; V607-M611 HydrophobicContact CG1-CG 4.16Å; V607-M611 HydrophobicContact CG1-SD 4.27Å; V607-M611 WeakPolarHBondContact O-CG 3.23Å; V607-M611 PolarHBondContact O-N 3.22Å
608F90.4Very high85.4Confident25 Ų2550.9 Ų50.911%0.1129%0.289CS..G310 helixtrans-63.6-42.4-169.5-68.6-94.1000114.7L605 L610 M611 L733 F734 V737L605-F608 HydrophobicContact CD1-CD2 4.28Å; L605-F608 PolarHBondContact O-N 3.33Å; F608-L610 PolarHBondContact O-N 2.94Å; F608-M611 WeakPolarHBondContact O-CB 3.21Å; F608-M611 PolarHBondContact O-N 3.49Å; F608-M611 VanDerWaalsContact O-N 3.07Å; F608-L733 HydrophobicContact CE1-CB 4.03Å; F608-L733 HydrophobicContact CZ-CB 3.82Å; F608-F734 HydrophobicContact CB-CD2 3.84Å; F608-F734 HydrophobicContact CB-CE2 4.21Å; F608-F734 HydrophobicContact CD1-CB 3.83Å; F608-F734 AromaticContact CD1-CD2 3.74Å; F608-F734 HydrophobicContact CD1-CD2 3.74Å; F608-F734 HydrophobicContact CD1-CG 4.28Å; F608-F734 AromaticContact CD2-CD2 3.87Å; F608-F734 HydrophobicContact CD2-CD2 3.87Å; F608-F734 HydrophobicContact CE1-CB 3.64Å; F608-F734 HydrophobicContact CE1-CD2 4.21Å; F608-F734 HydrophobicContact CE1-CG 4.46Å; F608-F734 HydrophobicContact CE2-CD2 4.32Å; F608-F734 HydrophobicContact CG-CB 4.48Å; F608-F734 AromaticContact CG-CD2 3.55Å; F608-F734 HydrophobicContact CG-CD2 3.55Å; F608-F734 HydrophobicContact CG-CE2 4.31Å; F608-F734 HydrophobicContact CG-CG 4.5Å; F608-F734 HydrophobicContact CZ-CB 4.15Å; F608-F734 HydrophobicContact CZ-CD2 4.47Å; F608-V737 HydrophobicContact CE2-CB 4.22Å; F608-V737 HydrophobicContact CE2-CG1 4.25Å; F608-V737 HydrophobicContact CE2-CG2 4.27Å; F608-V737 HydrophobicContact CZ-CG2 4.32Å
609P89.8Confident85.1Confident4 Ų454 Ų543%0.02631%0.306CS..G310 helixtrans-63-21.7176.8-2232.8000114.5R568 L571 L605 A606R568-P609 HydrophobicContact CB-CB 4.31Å; R568-P609 WeakPolarHBondContact CB-O 3.44Å; R568-P609 WeakPolarHBondContact O-CB 3.3Å; L571-P609 HydrophobicContact CB-CB 4.08Å; L571-P609 HydrophobicContact CB-CG 3.8Å; L571-P609 HydrophobicContact CD1-CG 4.48Å; L605-P609 WeakPolarHBondContact O-CD 3.33Å; A606-P609 WeakPolarHBondContact O-CD 3.42Å
610L88.5Confident84.8Confident105 Ų10553.2 Ų53.255%0.5530%0.302SS..G310 helixtrans-82.4-17.6176.7-56.6179.1000113T572 V607 F608T572-L610 HydrophobicContact CG2-CD1 3.98Å; T572-L610 HydrophobicContact CG2-CD2 4.32Å; T572-L610 HydrophobicContact CG2-CG 4.19Å; T572-L610 WeakPolarHBondContact OG1-CD2 3.31Å; T572-L610 WeakPolarHBondContact OG1-CG 3.39Å; V607-L610 WeakPolarHBondContact O-CB 3.49Å; V607-L610 PolarHBondContact O-N 3.3Å; V607-L610 VanDerWaalsContact O-N 3.14Å; F608-L610 PolarHBondContact O-N 2.94Å
611M84.1Confident84.6Confident64 Ų6459.5 Ų59.532%0.31532%0.32SS..SBendtrans-76.5140.9-174.7-63.5-78-72.700110.2V607 F608 V613 R616V607-M611 HydrophobicContact CG1-CG 4.16Å; V607-M611 HydrophobicContact CG1-SD 4.27Å; V607-M611 WeakPolarHBondContact O-CG 3.23Å; V607-M611 PolarHBondContact O-N 3.22Å; F608-M611 WeakPolarHBondContact O-CB 3.21Å; F608-M611 PolarHBondContact O-N 3.49Å; F608-M611 VanDerWaalsContact O-N 3.07Å; M611-V613 PolarHBondContact O-N 3.31Å; M611-R616 PolarHBondContact O-NH2 3.43Å
612P76.4Confident84.4Confident76 Ų7662.2 Ų62.249%0.49433%0.334SS..  trans-74.5107.7-173.127.2-33.2000113.4V614 R616P612-V614 PolarHBondContact O-N 2.83Å; P612-R616 HydrophobicContact CG-CG 4.38Å; P612-R616 WeakPolarHBondContact O-CD 3.4Å; P612-R616 WeakPolarHBondContact O-CG 3.42Å; P612-R616 PolarHBondContact O-NE 3.27Å; P612-R616 PolarHBondContact O-NH2 2.88Å
613V68.3Low84.2Confident31 Ų3162.2 Ų62.219%0.18833%0.334CS..  trans-68.9-31.6-166.9169.70000115.7R568 M611 G804R568-V613 VanDerWaalsContact CZ-CG2 3.41Å; M611-V613 PolarHBondContact O-N 3.31Å; V613-G804 WeakPolarHBondContact CG1-O 3.41Å
614V64.8Low84.2Confident82 Ų8259.6 Ų59.650%0.49732%0.324SS..SBendtrans-110.9150.5-174.7-177.20000109.6P612P612-V614 PolarHBondContact O-N 2.83Å
615G59.3Low84.2Confident56 Ų5660 Ų6058%0.57733%0.326SS*.SBendtrans75.724.9171.600000115.3
616R70.6Confident84.3Confident65 Ų6560 Ų6025%0.24533%0.326CS..PPolyproline II helixtrans-90.1142.3174.2-66.1-173.6-171.4140.113.5111.2M611 P612 S730M611-R616 PolarHBondContact O-NH2 3.43Å; P612-R616 HydrophobicContact CG-CG 4.38Å; P612-R616 WeakPolarHBondContact O-CD 3.4Å; P612-R616 WeakPolarHBondContact O-CG 3.42Å; P612-R616 PolarHBondContact O-NE 3.27Å; P612-R616 PolarHBondContact O-NH2 2.88Å; R616-S730 PolarHBondContact NH1-OG 3.24Å
617E71.6Confident84.3Confident171 Ų17159.6 Ų59.680%0.79932%0.323SS*.PPolyproline II helixtrans-67.8139.1165.2-64.8-163.9162.500111.2N619E617-N619 PolarHBondContact O-N 3.33Å
618P79.8Confident84.5Confident44 Ų4460.9 Ų60.929%0.28633%0.327SS..PPolyproline II helixtrans-55.2127.5174-25.934.5000111.6T728P618-T728 CarbonylContact C-O 3.55Å; P618-T728 WeakPolarHBondContact CA-O 3.39Å
619N87.8Confident84.7Confident67 Ų6762.5 Ų62.536%0.35834%0.337SS..  trans-126.584.9176.7-169.8-21.9000110.7E617 R621 L622 T728E617-N619 PolarHBondContact O-N 3.33Å; N619-R621 PolarHBondContact O-N 3.4Å; N619-R621 WeakPolarHBondContact OD1-CB 3.39Å; N619-R621 PolarHBondContact OD1-N 2.99Å; N619-L622 HydrophobicContact CB-CD1 4.16Å; N619-L622 HydrophobicContact CB-CG 4.4Å; N619-L622 WeakPolarHBondContact O-CB 3.09Å; N619-L622 PolarHBondContact O-N 2.76Å; N619-L622 VanDerWaalsContact O-N 3.09Å; N619-T728 CarbonylContact C-O 3.17Å; N619-T728 PolarHBondContact N-O 3.22Å
620L89.2Confident85Confident26 Ų2662.3 Ų62.314%0.13634%0.335CS..Hα-helixtrans-67.7-17.1-176.5-55.2178.4000113.3L622 V623 A624 P669 H673L620-L622 VanDerWaalsContact C-N 3.29Å; L620-L622 PolarHBondContact O-N 2.83Å; L620-V623 HydrophobicContact CD2-CG2 4.37Å; L620-V623 WeakPolarHBondContact O-CB 3.42Å; L620-V623 PolarHBondContact O-N 3.25Å; L620-A624 PolarHBondContact O-N 3.22Å; L620-P669 HydrophobicContact CD2-CB 4.37Å; L620-H673 HydrophobicContact CD1-CB 3.37Å
621R91.9Very high85.4Confident212 Ų21258.9 Ų58.980%0.832%0.317SS*.Hα-helixtrans-64.5-37.3172.7-59.4-179.3-178.2173.52111N619 A624 C625N619-R621 PolarHBondContact O-N 3.4Å; N619-R621 WeakPolarHBondContact OD1-CB 3.39Å; N619-R621 PolarHBondContact OD1-N 2.99Å; R621-A624 PolarHBondContact O-N 2.94Å; R621-C625 PolarHBondContact O-N 3.27Å; R621-C625 PolarHBondContact O-SG 3.24Å
622L91.4Very high85.8Confident56 Ų5662.3 Ų62.329%0.29333%0.331SS..Hα-helixtrans-69.3-35.4175.9-64.5176.5000111.9N619 L620 C625 A626 L733N619-L622 HydrophobicContact CB-CD1 4.16Å; N619-L622 HydrophobicContact CB-CG 4.4Å; N619-L622 WeakPolarHBondContact O-CB 3.09Å; N619-L622 PolarHBondContact O-N 2.76Å; N619-L622 VanDerWaalsContact O-N 3.09Å; L620-L622 VanDerWaalsContact C-N 3.29Å; L620-L622 PolarHBondContact O-N 2.83Å; L622-C625 WeakPolarHBondContact O-CB 3.31Å; L622-C625 PolarHBondContact O-N 3.01Å; L622-A626 PolarHBondContact O-N 3.19Å; L622-L733 HydrophobicContact CD2-CD1 4.39Å
623V93.1Very high86.5Confident1 Ų160.9 Ų60.91%0.00632%0.321CS..Hα-helixtrans-62.4-44.8172-1750000110.5L620 C625 A626 G627 L724 A732L620-V623 HydrophobicContact CD2-CG2 4.37Å; L620-V623 WeakPolarHBondContact O-CB 3.42Å; L620-V623 PolarHBondContact O-N 3.25Å; V623-C625 PolarHBondContact O-N 3.17Å; V623-A626 WeakPolarHBondContact O-CB 3.48Å; V623-A626 PolarHBondContact O-N 3.03Å; V623-G627 PolarHBondContact O-N 3.48Å; V623-G627 VanDerWaalsContact O-N 3.1Å; V623-L724 HydrophobicContact CG1-CD2 3.92Å; V623-A732 HydrophobicContact CB-CB 4.25Å; V623-A732 HydrophobicContact CG1-CB 4.22Å; V623-A732 HydrophobicContact CG2-CB 4.11Å
624A94.3Very high87.7Confident25 Ų2559.4 Ų59.421%0.20731%0.312CS..Hα-helixtrans-62-42.817400000112.1L620 R621 A626 G627 L628 L666L620-A624 PolarHBondContact O-N 3.22Å; R621-A624 PolarHBondContact O-N 2.94Å; A624-A626 VanDerWaalsContact C-N 3.29Å; A624-A626 PolarHBondContact O-N 3.09Å; A624-G627 PolarHBondContact O-N 3.37Å; A624-L628 WeakPolarHBondContact O-CG 3.43Å; A624-L628 PolarHBondContact O-N 2.86Å; A624-L666 HydrophobicContact CB-CD1 4.47Å
625C95.4Very high88.9Confident64 Ų6457.7 Ų57.743%0.43231%0.306SS..Hα-helixtrans-57.8-39.7173.9-72.70000112.2R621 L622 V623 L628 L629 L733R621-C625 PolarHBondContact O-N 3.27Å; R621-C625 PolarHBondContact O-SG 3.24Å; L622-C625 WeakPolarHBondContact O-CB 3.31Å; L622-C625 PolarHBondContact O-N 3.01Å; V623-C625 PolarHBondContact O-N 3.17Å; C625-L628 PolarHBondContact O-N 3.44Å; C625-L629 VanDerWaalsContact O-CB 3.31Å; C625-L629 WeakPolarHBondContact O-CB 3.18Å; C625-L629 PolarHBondContact O-N 2.85Å; C625-L733 HydrophobicContact CB-CD2 4.33Å
626A95.3Very high90.3Very high0 Ų057.8 Ų57.80%030%0.297CS..Hα-helixtrans-65-41.217600000112.9L622 V623 A624 L629 T630 L724 A732 L733L622-A626 PolarHBondContact O-N 3.19Å; V623-A626 WeakPolarHBondContact O-CB 3.48Å; V623-A626 PolarHBondContact O-N 3.03Å; A624-A626 VanDerWaalsContact C-N 3.29Å; A624-A626 PolarHBondContact O-N 3.09Å; A626-L629 PolarHBondContact O-N 3.4Å; A626-T630 WeakPolarHBondContact O-CB 3.28Å; A626-T630 PolarHBondContact O-N 2.77Å; A626-T630 PolarHBondContact O-OG1 3.2Å; A626-L724 HydrophobicContact CB-CD2 3.94Å; A626-A732 HydrophobicContact CB-CB 3.65Å; A626-A732 WeakPolarHBondContact CB-O 3.11Å; A626-L733 HydrophobicContact CB-CD2 3.78Å; A626-L733 HydrophobicContact CB-CG 4.14Å
627G96Very high91.1Very high0 Ų056.7 Ų56.70%029%0.293CS..Hα-helixtrans-60.9-47172.600000112.2V623 A624 L629 T630 L631V623-G627 PolarHBondContact O-N 3.48Å; V623-G627 VanDerWaalsContact O-N 3.1Å; A624-G627 PolarHBondContact O-N 3.37Å; G627-L629 PolarHBondContact O-N 2.86Å; G627-T630 WeakPolarHBondContact O-CB 3.27Å; G627-T630 PolarHBondContact O-N 3.43Å; G627-L631 WeakPolarHBondContact O-CG 3.33Å; G627-L631 PolarHBondContact O-N 3.3Å
628L96.4Very high91.8Very high105 Ų10550.2 Ų50.255%0.5526%0.264SS..Hα-helixtrans-62.7-41.8176.8-69174.6000112.4A624 C625 T630 L631 F632A624-L628 WeakPolarHBondContact O-CG 3.43Å; A624-L628 PolarHBondContact O-N 2.86Å; C625-L628 PolarHBondContact O-N 3.44Å; L628-T630 VanDerWaalsContact C-N 3.32Å; L628-T630 PolarHBondContact O-N 3.23Å; L628-L631 PolarHBondContact O-N 3.42Å; L628-F632 WeakPolarHBondContact O-CB 3.45Å; L628-F632 PolarHBondContact O-N 3.48Å
629L95.3Very high92Very high59 Ų5956.2 Ų56.231%0.30928%0.281SS..Hα-helixtrans-60.5-43.9175.5-179.461.7000111C625 A626 G627 L631 F632 T633 L733 P736 V737C625-L629 VanDerWaalsContact O-CB 3.31Å; C625-L629 WeakPolarHBondContact O-CB 3.18Å; C625-L629 PolarHBondContact O-N 2.85Å; A626-L629 PolarHBondContact O-N 3.4Å; G627-L629 PolarHBondContact O-N 2.86Å; L629-L631 PolarHBondContact O-N 3.45Å; L629-F632 PolarHBondContact O-N 3.23Å; L629-T633 HydrophobicContact CD1-CG2 4.17Å; L629-T633 HydrophobicContact CG-CG2 4.46Å; L629-T633 WeakPolarHBondContact O-CG2 3.32Å; L629-T633 PolarHBondContact O-N 3.31Å; L629-T633 PolarHBondContact O-OG1 3.19Å; L629-L733 HydrophobicContact CD2-CD2 4.38Å; L629-P736 HydrophobicContact CD2-CB 4.07Å; L629-P736 HydrophobicContact CD2-CG 4.08Å; L629-P736 HydrophobicContact CG-CB 4.3Å; L629-V737 HydrophobicContact CD2-CG2 4.44Å
630T95.9Very high91.7Very high0 Ų055.9 Ų55.90%028%0.284CS..Hα-helixtrans-60.9-42.1176.8-610000112.1A626 G627 L628 T633 S634 V662 F716 L717 T720A626-T630 WeakPolarHBondContact O-CB 3.28Å; A626-T630 PolarHBondContact O-N 2.77Å; A626-T630 PolarHBondContact O-OG1 3.2Å; G627-T630 WeakPolarHBondContact O-CB 3.27Å; G627-T630 PolarHBondContact O-N 3.43Å; L628-T630 VanDerWaalsContact C-N 3.32Å; L628-T630 PolarHBondContact O-N 3.23Å; T630-T633 PolarHBondContact O-OG1 2.98Å; T630-T633 VanDerWaalsContact O-OG1 3.12Å; T630-S634 VanDerWaalsContact O-CB 3.26Å; T630-S634 WeakPolarHBondContact O-CB 3.31Å; T630-S634 PolarHBondContact O-N 3.42Å; T630-S634 VanDerWaalsContact O-N 3.14Å; T630-S634 PolarHBondContact O-OG 3.27Å; T630-V662 HydrophobicContact CG2-CG1 4.06Å; T630-V662 HydrophobicContact CG2-CG2 4.39Å; T630-F716 HydrophobicContact CG2-CE1 3.68Å; T630-F716 HydrophobicContact CG2-CZ 3.73Å; T630-L717 HydrophobicContact CG2-CD2 4.14Å; T630-T720 HydrophobicContact CG2-CG2 3.87Å; T630-T720 WeakPolarHBondContact OG1-CG2 3.49Å
631L95.9Very high91.1Very high33 Ų3355 Ų5517%0.17328%0.28CS..Hα-helixtrans-66.3-44175.7-67.8172.9000111.6G627 L628 L629 S634 A635 M659 V662 A663 L666G627-L631 WeakPolarHBondContact O-CG 3.33Å; G627-L631 PolarHBondContact O-N 3.3Å; L628-L631 PolarHBondContact O-N 3.42Å; L629-L631 PolarHBondContact O-N 3.45Å; L631-S634 PolarHBondContact O-N 3.34Å; L631-A635 WeakPolarHBondContact O-CB 3.44Å; L631-A635 PolarHBondContact O-N 2.84Å; L631-M659 HydrophobicContact CD2-CB 3.86Å; L631-M659 HydrophobicContact CD2-CE 4.17Å; L631-M659 HydrophobicContact CD2-CG 4.25Å; L631-M659 VanDerWaalsContact CD2-O 3.25Å; L631-M659 WeakPolarHBondContact CD2-O 3.44Å; L631-V662 HydrophobicContact CD2-CB 4.03Å; L631-V662 HydrophobicContact CD2-CG1 3.98Å; L631-V662 HydrophobicContact CG-CG1 4.04Å; L631-A663 HydrophobicContact CD1-CB 4.22Å; L631-L666 HydrophobicContact CD1-CD2 4.11Å
632F94.1Very high90.1Very high135 Ų13553.8 Ų53.859%0.59228%0.276SS*.Hα-helixtrans-62.9-48.6179.5176.6-101.2000112L628 L629 S634 A635 C636L628-F632 WeakPolarHBondContact O-CB 3.45Å; L628-F632 PolarHBondContact O-N 3.48Å; L629-F632 PolarHBondContact O-N 3.23Å; F632-S634 VanDerWaalsContact C-N 3.32Å; F632-S634 PolarHBondContact O-N 2.73Å; F632-A635 PolarHBondContact O-N 3.41Å; F632-C636 VanDerWaalsContact CZ-SG 3.58Å; F632-C636 WeakPolarHBondContact O-CB 3.37Å; F632-C636 PolarHBondContact O-N 3.25Å; F632-C636 PolarHBondContact O-SG 2.9Å
633T90.5Very high88.9Confident47 Ų4761.2 Ų61.229%0.28830%0.3SS..Hα-helixtrans-63.3-40.517957.50000111.5L629 T630 C636 Y637L629-T633 HydrophobicContact CD1-CG2 4.17Å; L629-T633 HydrophobicContact CG-CG2 4.46Å; L629-T633 WeakPolarHBondContact O-CG2 3.32Å; L629-T633 PolarHBondContact O-N 3.31Å; L629-T633 PolarHBondContact O-OG1 3.19Å; T630-T633 PolarHBondContact O-OG1 2.98Å; T630-T633 VanDerWaalsContact O-OG1 3.12Å; T633-C636 PolarHBondContact O-N 3.37Å; T633-Y637 WeakPolarHBondContact O-CB 3.37Å; T633-Y637 PolarHBondContact O-N 2.76Å
634S92.3Very high87.6Confident0 Ų069.9 Ų69.90%033%0.332CS..Hα-helixtrans-65.5-43177.8-590000111.9T630 L631 F632 Y637 L638 L717T630-S634 VanDerWaalsContact O-CB 3.26Å; T630-S634 WeakPolarHBondContact O-CB 3.31Å; T630-S634 PolarHBondContact O-N 3.42Å; T630-S634 VanDerWaalsContact O-N 3.14Å; T630-S634 PolarHBondContact O-OG 3.27Å; L631-S634 PolarHBondContact O-N 3.34Å; F632-S634 VanDerWaalsContact C-N 3.32Å; F632-S634 PolarHBondContact O-N 2.73Å; S634-Y637 PolarHBondContact O-N 2.78Å; S634-L638 WeakPolarHBondContact O-CB 3.46Å; S634-L638 WeakPolarHBondContact O-CG 3.3Å; S634-L638 PolarHBondContact O-N 3.28Å; S634-L717 WeakPolarHBondContact OG-CD2 3Å
635A91.3Very high86.3Confident46 Ų4669.6 Ų69.638%0.3833%0.328SS..Hα-helixtrans-62.7-44.9175.100000111.9L631 F632 Y637 L638 W639 M659L631-A635 WeakPolarHBondContact O-CB 3.44Å; L631-A635 PolarHBondContact O-N 2.84Å; F632-A635 PolarHBondContact O-N 3.41Å; A635-Y637 VanDerWaalsContact C-N 3.35Å; A635-Y637 PolarHBondContact O-N 3.37Å; A635-L638 PolarHBondContact O-N 3.02Å; A635-W639 VanDerWaalsContact O-CB 3.31Å; A635-W639 WeakPolarHBondContact O-CB 3.35Å; A635-W639 PolarHBondContact O-N 3.35Å; A635-M659 HydrophobicContact CB-CE 4.19Å
636C88.6Confident85Confident57 Ų5771.8 Ų71.839%0.38534%0.342SS..Hα-helixtrans-60.4-43.7176.8-70.90000111.9F632 T633 W639 S640F632-C636 VanDerWaalsContact CZ-SG 3.58Å; F632-C636 WeakPolarHBondContact O-CB 3.37Å; F632-C636 PolarHBondContact O-N 3.25Å; F632-C636 PolarHBondContact O-SG 2.9Å; T633-C636 PolarHBondContact O-N 3.37Å; C636-W639 PolarHBondContact O-N 3.39Å; C636-S640 WeakPolarHBondContact O-CB 3.19Å; C636-S640 PolarHBondContact O-N 2.79Å
637Y86.5Confident83.9Confident43 Ų4374 Ų7417%0.16935%0.353CS..Hα-helixtrans-63.4-48.6176.7170.3-91.6000111.7T633 S634 A635 W639 S640 S641 F709 L713 F743T633-Y637 WeakPolarHBondContact O-CB 3.37Å; T633-Y637 PolarHBondContact O-N 2.76Å; S634-Y637 PolarHBondContact O-N 2.78Å; A635-Y637 VanDerWaalsContact C-N 3.35Å; A635-Y637 PolarHBondContact O-N 3.37Å; Y637-W639 VanDerWaalsContact C-N 3.3Å; Y637-W639 PolarHBondContact O-N 2.79Å; Y637-S640 PolarHBondContact O-N 2.98Å; Y637-S641 VanDerWaalsContact O-CB 3.24Å; Y637-S641 WeakPolarHBondContact O-CB 3.3Å; Y637-S641 PolarHBondContact O-N 2.93Å; Y637-F709 HydrophobicContact CE2-CB 3.96Å; Y637-F709 HydrophobicContact CE2-CG 4.42Å; Y637-F709 WeakPolarHBondContact OH-CB 3.42Å; Y637-L713 HydrophobicContact CD1-CD1 4.34Å; Y637-L713 HydrophobicContact CD1-CD2 3.58Å; Y637-L713 HydrophobicContact CD1-CG 4.41Å; Y637-L713 HydrophobicContact CE1-CB 4.47Å; Y637-L713 HydrophobicContact CE1-CD2 3.77Å; Y637-F743 HydrophobicContact CD2-CE2 4.38Å; Y637-F743 HydrophobicContact CE2-CE2 4.3Å
638L86.6Confident83Confident34 Ų3479.7 Ų79.718%0.17838%0.38CS..Hα-helixtrans-62.2-38.5179.1-71.3173.5000111.8S634 A635 R642 L647 F655 M659 L713S634-L638 WeakPolarHBondContact O-CB 3.46Å; S634-L638 WeakPolarHBondContact O-CG 3.3Å; S634-L638 PolarHBondContact O-N 3.28Å; A635-L638 PolarHBondContact O-N 3.02Å; L638-R642 PolarHBondContact O-N 3.03Å; L638-R642 VanDerWaalsContact O-N 3.07Å; L638-L647 HydrophobicContact CD2-CD1 3.95Å; L638-F655 HydrophobicContact CD1-CB 4.17Å; L638-F655 HydrophobicContact CD2-CD2 3.98Å; L638-F655 HydrophobicContact CD2-CE2 4.44Å; L638-F655 HydrophobicContact CD2-CG 4.31Å; L638-M659 HydrophobicContact CD1-SD 3.96Å; L638-L713 HydrophobicContact CD2-CD2 3.84Å; L638-L713 HydrophobicContact CG-CD2 4.09Å
639W85.1Confident81.9Confident170 Ų17078.4 Ų78.464%0.64438%0.376SS*.Hα-helixtrans-63-47.2174.7-179.9-94.3000112.3A635 C636 Y637 R642A635-W639 VanDerWaalsContact O-CB 3.31Å; A635-W639 WeakPolarHBondContact O-CB 3.35Å; A635-W639 PolarHBondContact O-N 3.35Å; C636-W639 PolarHBondContact O-N 3.39Å; Y637-W639 VanDerWaalsContact C-N 3.3Å; Y637-W639 PolarHBondContact O-N 2.79Å; W639-R642 WeakPolarHBondContact O-CB 3.43Å
640S81Confident81.1Confident60 Ų6077.4 Ų77.442%0.4237%0.374SS..Hα-helixtrans-65.2-42.6178-176.20000112.1C636 Y637 R642 R643C636-S640 WeakPolarHBondContact O-CB 3.19Å; C636-S640 PolarHBondContact O-N 2.79Å; Y637-S640 PolarHBondContact O-N 2.98Å; S640-R642 VanDerWaalsContact C-N 3.33Å; S640-R642 PolarHBondContact O-N 2.89Å; S640-R643 PolarHBondContact O-N 3.45Å
641S75.4Confident80.4Confident9 Ų978 Ų786%0.06338%0.377CS..Hα-helixtrans-67.1-30.9-179.2-179.30000113Y637 R643 R644 T645Y637-S641 VanDerWaalsContact O-CB 3.24Å; Y637-S641 WeakPolarHBondContact O-CB 3.3Å; Y637-S641 PolarHBondContact O-N 2.93Å; S641-R643 PolarHBondContact O-N 3.02Å; S641-R644 PolarHBondContact O-N 2.94Å; S641-T645 PolarHBondContact O-N 3.33Å; S641-T645 PolarHBondContact OG-OG1 3.37Å; S641-T645 VanDerWaalsContact OG-OG1 3.11Å
642R72.1Confident79.8Confident186 Ų18684.3 Ų84.370%0.70240%0.399SS*.THydrogen-bonded Turntrans-52.4-29.3177.7-172.5177.4178.3-175.4-0.5113.5L638 W639 S640L638-R642 PolarHBondContact O-N 3.03Å; L638-R642 VanDerWaalsContact O-N 3.07Å; W639-R642 WeakPolarHBondContact O-CB 3.43Å; S640-R642 VanDerWaalsContact C-N 3.33Å; S640-R642 PolarHBondContact O-N 2.89Å
643R65.8Low79.4Confident212 Ų21286 Ų8680%0.840%0.401SS*.THydrogen-bonded Turntrans-84.3-17.5179.3-63.1-173.9-178.4-171.4-0.2114.1S640 S641S640-R643 PolarHBondContact O-N 3.45Å; S641-R643 PolarHBondContact O-N 3.02Å
644R66.5Low79.3Confident182 Ų18285.1 Ų85.169%0.68739%0.394SS*.THydrogen-bonded Turntrans-112-38.9-171.3-64.7-174.1-179.1175.31.7113.5S641S641-R644 PolarHBondContact O-N 2.94Å
645T66.4Low79.3Confident19 Ų1985.2 Ų85.212%0.11739%0.394CS..SBendtrans-137.5114.6-179.346.90000110.6S641 L647S641-T645 PolarHBondContact O-N 3.33Å; S641-T645 PolarHBondContact OG-OG1 3.37Å; S641-T645 VanDerWaalsContact OG-OG1 3.11Å; T645-L647 PolarHBondContact O-N 2.97Å
646P67.4Low79.3Confident111 Ų11189.7 Ų89.772%0.72141%0.405SS*.PPolyproline II helixtrans-64.8124.817724.2-30.4000110.4
647L72.5Confident79.5Confident46 Ų4690.7 Ų90.724%0.24141%0.413CS..PPolyproline II helixtrans-76.7134.5175.5-78.1160.3000110.1L638 T645 D651 F655 H710L638-L647 HydrophobicContact CD2-CD1 3.95Å; T645-L647 PolarHBondContact O-N 2.97Å; L647-D651 HydrophobicContact CD2-CB 4.39Å; L647-F655 HydrophobicContact CD2-CD2 4.37Å; L647-F655 HydrophobicContact CD2-CE2 3.91Å; L647-H710 WeakPolarHBondContact CD2-CE1 3.41Å
648H76.5Confident79.9Confident120 Ų12089 Ų8956%0.55641%0.407SS*.PPolyproline II helixtrans-66148.7169.5-165.6-100.9000110S650 D651 R652H648-S650 PolarHBondContact ND1-N 3.38Å; H648-S650 PolarHBondContact ND1-OG 3.06Å; H648-S650 PolarHBondContact O-N 3.23Å; H648-D651 PolarHBondContact O-N 2.91Å; H648-D651 VanDerWaalsContact O-N 3.09Å; H648-R652 PolarHBondContact O-N 3.15Å; H648-R652 VanDerWaalsContact O-N 3.16Å
649T74.8Confident80.3Confident78 Ų7889 Ų8948%0.47941%0.406SS..Hα-helixtrans-61.1-31-175.549.90000113R653T649-R653 PolarHBondContact O-N 3.49Å
650S77.8Confident80.8Confident38 Ų3885.1 Ų85.127%0.26640%0.397SS..Hα-helixtrans-62.6-47.6172.956.30000112.5H648 R652 R653 Q654H648-S650 PolarHBondContact ND1-N 3.38Å; H648-S650 PolarHBondContact ND1-OG 3.06Å; H648-S650 PolarHBondContact O-N 3.23Å; S650-R652 VanDerWaalsContact C-N 3.32Å; S650-R652 PolarHBondContact O-N 3.46Å; S650-R653 PolarHBondContact O-N 2.93Å; S650-Q654 PolarHBondContact O-N 3.12Å; S650-Q654 VanDerWaalsContact O-N 3.1Å
651D81Confident81.5Confident11 Ų1185 Ų856%0.05939%0.39CS..Hα-helixtrans-69.9-35.8-173.4-57.2-6.1000110L647 H648 R653 Q654 F655 S705 R921L647-D651 HydrophobicContact CD2-CB 4.39Å; H648-D651 PolarHBondContact O-N 2.91Å; H648-D651 VanDerWaalsContact O-N 3.09Å; D651-R653 PolarHBondContact O-N 3.21Å; D651-Q654 PolarHBondContact O-N 3.45Å; D651-F655 HydrophobicContact CB-CE2 4.31Å; D651-F655 WeakPolarHBondContact O-CD2 3.26Å; D651-F655 PolarHBondContact O-N 2.82Å; D651-S705 WeakPolarHBondContact OD2-CB 3.36Å; D651-R921 IonicContact OD1-NH2 3.77Å
652R83.8Confident82.5Confident167 Ų16784.6 Ų84.663%0.6339%0.387SS*.Hα-helixtrans-62.1-42.3173.9-167.8178.575.2-173.84.6112.5H648 S650 Q654 F656H648-R652 PolarHBondContact O-N 3.15Å; H648-R652 VanDerWaalsContact O-N 3.16Å; S650-R652 VanDerWaalsContact C-N 3.32Å; S650-R652 PolarHBondContact O-N 3.46Å; R652-Q654 VanDerWaalsContact C-N 3.33Å; R652-F656 PolarHBondContact O-N 2.9Å; R652-F656 VanDerWaalsContact O-N 3.15Å
653R85.8Confident83.6Confident169 Ų16977.3 Ų77.364%0.63837%0.366SS*.Hα-helixtrans-64.5-40.3176.2-73.7-171.8-61.3-112.80.3111.3T649 S650 D651 F656 S657T649-R653 PolarHBondContact O-N 3.49Å; S650-R653 PolarHBondContact O-N 2.93Å; D651-R653 PolarHBondContact O-N 3.21Å; R653-F656 PolarHBondContact O-N 3.43Å; R653-S657 WeakPolarHBondContact O-CB 3.04Å; R653-S657 PolarHBondContact O-N 2.57Å
654Q89.1Confident85.1Confident30 Ų3069.9 Ų69.914%0.1435%0.345CS..Hα-helixtrans-62.4-50177.3-178.2177.9-8.800111.8S650 D651 R652 F656 S657 Q658 V700 L703 S704 S714S650-Q654 PolarHBondContact O-N 3.12Å; S650-Q654 VanDerWaalsContact O-N 3.1Å; D651-Q654 PolarHBondContact O-N 3.45Å; R652-Q654 VanDerWaalsContact C-N 3.33Å; Q654-F656 VanDerWaalsContact C-N 3.3Å; Q654-F656 PolarHBondContact O-N 3.06Å; Q654-S657 WeakPolarHBondContact O-CB 3.21Å; Q654-S657 PolarHBondContact O-N 2.83Å; Q654-S657 VanDerWaalsContact O-N 3.15Å; Q654-Q658 WeakPolarHBondContact O-CG 3.47Å; Q654-Q658 PolarHBondContact O-N 3.49Å; Q654-V700 PolarHBondContact NE2-O 3.43Å; Q654-L703 PolarHBondContact OE1-O 3.47Å; Q654-S704 VanDerWaalsContact OE1-CA 3.29Å; Q654-S714 PolarHBondContact NE2-OG 3.18Å
655F90.8Very high86.4Confident2 Ų261.2 Ų61.21%0.00931%0.312CS..Hα-helixtrans-60.8-40.3178.7-69.5-53.9000112.4L638 L647 D651 S657 Q658 M659 H710 L713 L717L638-F655 HydrophobicContact CD1-CB 4.17Å; L638-F655 HydrophobicContact CD2-CD2 3.98Å; L638-F655 HydrophobicContact CD2-CE2 4.44Å; L638-F655 HydrophobicContact CD2-CG 4.31Å; L647-F655 HydrophobicContact CD2-CD2 4.37Å; L647-F655 HydrophobicContact CD2-CE2 3.91Å; D651-F655 HydrophobicContact CB-CE2 4.31Å; D651-F655 WeakPolarHBondContact O-CD2 3.26Å; D651-F655 PolarHBondContact O-N 2.82Å; F655-S657 PolarHBondContact O-N 3.39Å; F655-Q658 PolarHBondContact O-N 3.46Å; F655-M659 WeakPolarHBondContact O-CB 3.28Å; F655-M659 VanDerWaalsContact O-CG 3.28Å; F655-M659 WeakPolarHBondContact O-CG 3.25Å; F655-M659 PolarHBondContact O-N 2.95Å; F655-H710 HydrophobicContact CZ-CB 4.01Å; F655-H710 WeakPolarHBondContact CZ-O 3.45Å; F655-L713 HydrophobicContact CD1-CD2 3.82Å; F655-L713 HydrophobicContact CD1-CG 4.25Å; F655-L713 HydrophobicContact CE1-CB 4.12Å; F655-L713 HydrophobicContact CE1-CD2 3.73Å; F655-L713 HydrophobicContact CE1-CG 4.01Å; F655-L713 HydrophobicContact CG-CD2 4.35Å; F655-L713 HydrophobicContact CZ-CD2 4.18Å; F655-L717 HydrophobicContact CD1-CD1 4.14Å
656F91.5Very high87.8Confident140 Ų14060.7 Ų60.761%0.61431%0.308SS*.Hα-helixtrans-62.8-42.2175.7-172.3-103.8000112.1R652 R653 Q654 M659 I660R652-F656 PolarHBondContact O-N 2.9Å; R652-F656 VanDerWaalsContact O-N 3.15Å; R653-F656 PolarHBondContact O-N 3.43Å; Q654-F656 VanDerWaalsContact C-N 3.3Å; Q654-F656 PolarHBondContact O-N 3.06Å; F656-M659 PolarHBondContact O-N 2.7Å; F656-I660 HydrophobicContact CD1-CD1 3.76Å; F656-I660 HydrophobicContact CE1-CD1 3.33Å; F656-I660 HydrophobicContact CE1-CG1 4.27Å; F656-I660 HydrophobicContact CZ-CD1 3.89Å; F656-I660 HydrophobicContact CZ-CG1 4.48Å; F656-I660 WeakPolarHBondContact O-CG1 3.35Å; F656-I660 PolarHBondContact O-N 3.45Å
657S92.7Very high89Confident77 Ų7762.8 Ų62.854%0.53830%0.303SS..Hα-helixtrans-63.3-43.7174.6176.50000112.4R653 Q654 F655 M659 I660 H661R653-S657 WeakPolarHBondContact O-CB 3.04Å; R653-S657 PolarHBondContact O-N 2.57Å; Q654-S657 WeakPolarHBondContact O-CB 3.21Å; Q654-S657 PolarHBondContact O-N 2.83Å; Q654-S657 VanDerWaalsContact O-N 3.15Å; F655-S657 PolarHBondContact O-N 3.39Å; S657-M659 VanDerWaalsContact C-N 3.34Å; S657-M659 PolarHBondContact O-N 3.08Å; S657-I660 PolarHBondContact O-N 3.34Å; S657-H661 WeakPolarHBondContact O-CB 3.44Å; S657-H661 PolarHBondContact O-N 3.2Å
658Q94.8Very high90.1Very high8 Ų860.8 Ų60.84%0.03729%0.292CS..Hα-helixtrans-62.8-39.6175.4-71.2-174.2-75.900111.8Q654 F655 H661 V662 V700 S714 L717 S718Q654-Q658 WeakPolarHBondContact O-CG 3.47Å; Q654-Q658 PolarHBondContact O-N 3.49Å; F655-Q658 PolarHBondContact O-N 3.46Å; Q658-H661 WeakPolarHBondContact O-CB 3.3Å; Q658-H661 PolarHBondContact O-N 3Å; Q658-V662 WeakPolarHBondContact O-CG2 3.28Å; Q658-V662 PolarHBondContact O-N 3.21Å; Q658-V700 HydrophobicContact CG-CG1 3.82Å; Q658-S714 PolarHBondContact NE2-O 3.18Å; Q658-S714 PolarHBondContact NE2-OG 3.13Å; Q658-S714 VanDerWaalsContact NE2-OG 3.1Å; Q658-S714 PolarHBondContact OE1-OG 3.35Å; Q658-L717 HydrophobicContact CB-CB 4.07Å; Q658-L717 HydrophobicContact CB-CD1 3.95Å; Q658-S718 PolarHBondContact NE2-OG 3.35Å
659M95.5Very high90.9Very high33 Ų3355.4 Ų55.416%0.16327%0.268CS..Hα-helixtrans-66.1-41.5175.7-72.4178.371.500112.4L631 A635 L638 F655 F656 S657 H661 V662 A663 L717L631-M659 HydrophobicContact CD2-CB 3.86Å; L631-M659 HydrophobicContact CD2-CE 4.17Å; L631-M659 HydrophobicContact CD2-CG 4.25Å; L631-M659 VanDerWaalsContact CD2-O 3.25Å; L631-M659 WeakPolarHBondContact CD2-O 3.44Å; A635-M659 HydrophobicContact CB-CE 4.19Å; L638-M659 HydrophobicContact CD1-SD 3.96Å; F655-M659 WeakPolarHBondContact O-CB 3.28Å; F655-M659 VanDerWaalsContact O-CG 3.28Å; F655-M659 WeakPolarHBondContact O-CG 3.25Å; F655-M659 PolarHBondContact O-N 2.95Å; F656-M659 PolarHBondContact O-N 2.7Å; S657-M659 VanDerWaalsContact C-N 3.34Å; S657-M659 PolarHBondContact O-N 3.08Å; M659-H661 VanDerWaalsContact C-N 3.25Å; M659-H661 PolarHBondContact O-N 3.33Å; M659-V662 PolarHBondContact O-N 2.86Å; M659-A663 PolarHBondContact O-N 3.2Å; M659-L717 HydrophobicContact CG-CD1 4.28Å; M659-L717 HydrophobicContact CG-CD2 4.2Å
660I95.4Very high91.7Very high90 Ų9053.8 Ų53.846%0.46226%0.26SS..Hα-helixtrans-60.1-41171.7-71.2171.3000110.4F656 S657 V662 A663 V664F656-I660 HydrophobicContact CD1-CD1 3.76Å; F656-I660 HydrophobicContact CE1-CD1 3.33Å; F656-I660 HydrophobicContact CE1-CG1 4.27Å; F656-I660 HydrophobicContact CZ-CD1 3.89Å; F656-I660 HydrophobicContact CZ-CG1 4.48Å; F656-I660 WeakPolarHBondContact O-CG1 3.35Å; F656-I660 PolarHBondContact O-N 3.45Å; S657-I660 PolarHBondContact O-N 3.34Å; I660-V662 PolarHBondContact O-N 2.8Å; I660-A663 CarbonylContact O-C 3.57Å; I660-A663 WeakPolarHBondContact O-CA 3.48Å; I660-A663 WeakPolarHBondContact O-CB 3.41Å; I660-A663 PolarHBondContact O-N 2.88Å; I660-V664 PolarHBondContact O-N 3.11Å
661H95.8Very high92.4Very high57 Ų5756.9 Ų56.926%0.26427%0.273SS..Hα-helixtrans-64.8-39.4179.1-168.160.8000112.7S657 Q658 M659 A663 V664 C665 T693S657-H661 WeakPolarHBondContact O-CB 3.44Å; S657-H661 PolarHBondContact O-N 3.2Å; Q658-H661 WeakPolarHBondContact O-CB 3.3Å; Q658-H661 PolarHBondContact O-N 3Å; M659-H661 VanDerWaalsContact C-N 3.25Å; M659-H661 PolarHBondContact O-N 3.33Å; H661-A663 VanDerWaalsContact C-N 3.29Å; H661-A663 PolarHBondContact O-N 2.96Å; H661-V664 PolarHBondContact O-N 2.97Å; H661-V664 VanDerWaalsContact O-N 3.16Å; H661-C665 PolarHBondContact O-N 3.4Å; H661-C665 PolarHBondContact O-SG 3.39Å; H661-T693 PolarHBondContact CE1-OG1 2.89Å; H661-T693 WeakPolarHBondContact NE2-CG2 3.47Å; H661-T693 PolarHBondContact NE2-OG1 3.22Å
662V96.5Very high92.9Very high0 Ų056.5 Ų56.50%027%0.271CS..Hα-helixtrans-58.3-41.8168.9171.40000111T630 L631 Q658 M659 I660 V664 C665 L666 L717 S721 L724T630-V662 HydrophobicContact CG2-CG1 4.06Å; T630-V662 HydrophobicContact CG2-CG2 4.39Å; L631-V662 HydrophobicContact CD2-CB 4.03Å; L631-V662 HydrophobicContact CD2-CG1 3.98Å; L631-V662 HydrophobicContact CG-CG1 4.04Å; Q658-V662 WeakPolarHBondContact O-CG2 3.28Å; Q658-V662 PolarHBondContact O-N 3.21Å; M659-V662 PolarHBondContact O-N 2.86Å; I660-V662 PolarHBondContact O-N 2.8Å; V662-V664 VanDerWaalsContact C-N 3.32Å; V662-V664 PolarHBondContact O-N 3.2Å; V662-C665 PolarHBondContact O-N 2.87Å; V662-L666 PolarHBondContact O-N 3.09Å; V662-L717 HydrophobicContact CG2-CD2 3.96Å; V662-S721 VanDerWaalsContact CG2-OG 3.25Å; V662-S721 WeakPolarHBondContact CG2-OG 3.44Å; V662-L724 HydrophobicContact CG1-CD1 4.19Å
663A96.1Very high93.1Very high33 Ų3351.4 Ų51.427%0.27325%0.254SS..Hα-helixtrans-63.9-34.4176.100000112.6L631 M659 I660 H661 L666 Y667L631-A663 HydrophobicContact CD1-CB 4.22Å; M659-A663 PolarHBondContact O-N 3.2Å; I660-A663 CarbonylContact O-C 3.57Å; I660-A663 WeakPolarHBondContact O-CA 3.48Å; I660-A663 WeakPolarHBondContact O-CB 3.41Å; I660-A663 PolarHBondContact O-N 2.88Å; H661-A663 VanDerWaalsContact C-N 3.29Å; H661-A663 PolarHBondContact O-N 2.96Å; A663-L666 WeakPolarHBondContact O-CG 3.37Å; A663-Y667 WeakPolarHBondContact O-CD2 3.42Å
664V95.6Very high93.3Very high57 Ų5745.7 Ų45.735%0.34524%0.24SC..Hα-helixtrans-66.9-47.3171.5174.80000110.6I660 H661 V662 L666 Y667 V668 I689I660-V664 PolarHBondContact O-N 3.11Å; H661-V664 PolarHBondContact O-N 2.97Å; H661-V664 VanDerWaalsContact O-N 3.16Å; V662-V664 VanDerWaalsContact C-N 3.32Å; V662-V664 PolarHBondContact O-N 3.2Å; V664-L666 VanDerWaalsContact C-N 3.26Å; V664-L666 PolarHBondContact O-N 2.8Å; V664-Y667 PolarHBondContact O-N 3.14Å; V664-V668 HydrophobicContact CG1-CG2 4.06Å; V664-V668 WeakPolarHBondContact O-CG2 3.11Å; V664-V668 PolarHBondContact O-N 3.47Å; V664-V668 VanDerWaalsContact O-N 3.16Å; V664-I689 HydrophobicContact CG1-CD1 4.32Å; V664-I689 HydrophobicContact CG1-CG2 4.11Å
665C95.8Very high93.3Very high0 Ų044.8 Ų44.80%024%0.238CC..Hα-helixtrans-67.2-22.5-175.1-63.10000113.9H661 V662 P669 L724 L725H661-C665 PolarHBondContact O-N 3.4Å; H661-C665 PolarHBondContact O-SG 3.39Å; V662-C665 PolarHBondContact O-N 2.87Å; C665-P669 WeakPolarHBondContact O-CD 3.41Å; C665-L724 HydrophobicContact CB-CD1 4.49Å; C665-L725 HydrophobicContact CB-CD2 4.03Å; C665-L725 HydrophobicContact CB-CG 4.16Å
666L94.6Very high92.9Very high8 Ų846.9 Ų46.94%0.04225%0.249CC..Hα-helixtrans-77.5-23.3173.174.584.5000113.1A624 L631 V662 A663 V664 L724A624-L666 HydrophobicContact CB-CD1 4.47Å; L631-L666 HydrophobicContact CD1-CD2 4.11Å; V662-L666 PolarHBondContact O-N 3.09Å; A663-L666 WeakPolarHBondContact O-CG 3.37Å; V664-L666 VanDerWaalsContact C-N 3.26Å; V664-L666 PolarHBondContact O-N 2.8Å; L666-L724 HydrophobicContact CB-CD1 4.22Å
667Y93.4Very high92.4Very high154 Ų15446.6 Ų46.660%0.60425%0.249SC*.Hα-helixtrans-89.1-35.5178.3-80.7-73.2000113.2A663 V664 S670 L671A663-Y667 WeakPolarHBondContact O-CD2 3.42Å; V664-Y667 PolarHBondContact O-N 3.14Å; Y667-S670 WeakPolarHBondContact O-CB 3.32Å; Y667-S670 PolarHBondContact O-N 3.35Å; Y667-L671 PolarHBondContact O-N 3.3Å; Y667-L671 VanDerWaalsContact O-N 3.16Å
668V95.4Very high92Very high4 Ų448.2 Ų48.22%0.02425%0.248CC..Hα-helixtrans-52.5-46.1-176.1168.60000113.6V664 S670 L671 T672 N686 I689 L725V664-V668 HydrophobicContact CG1-CG2 4.06Å; V664-V668 WeakPolarHBondContact O-CG2 3.11Å; V664-V668 PolarHBondContact O-N 3.47Å; V664-V668 VanDerWaalsContact O-N 3.16Å; V668-S670 VanDerWaalsContact C-N 3.28Å; V668-S670 PolarHBondContact O-N 2.95Å; V668-L671 PolarHBondContact O-N 3.04Å; V668-L671 VanDerWaalsContact O-N 3.15Å; V668-T672 PolarHBondContact O-N 3.29Å; V668-T672 PolarHBondContact O-OG1 2.99Å; V668-N686 HydrophobicContact CG1-CB 4Å; V668-I689 HydrophobicContact CG2-CD1 4.26Å; V668-I689 HydrophobicContact CG2-CG2 4.04Å; V668-L725 HydrophobicContact CB-CD2 3.79Å; V668-L725 HydrophobicContact CG1-CD2 3.81Å
669P93.2Very high91.2Very high7 Ų757.1 Ų57.15%0.04529%0.287CS..Hα-helixtrans-58.7-38.7177.9-26.736000113.3L620 C665 T672 H673 L725L620-P669 HydrophobicContact CD2-CB 4.37Å; C665-P669 WeakPolarHBondContact O-CD 3.41Å; P669-T672 PolarHBondContact O-N 2.69Å; P669-H673 WeakPolarHBondContact O-CB 3.42Å; P669-H673 PolarHBondContact O-N 3.12Å; P669-L725 HydrophobicContact CG-CD2 4.2Å
670S91.9Very high90.3Very high45 Ų4561.9 Ų61.932%0.31531%0.309SS..Hα-helixtrans-66-40177.6-60.70000112Y667 V668 S674Y667-S670 WeakPolarHBondContact O-CB 3.32Å; Y667-S670 PolarHBondContact O-N 3.35Å; V668-S670 VanDerWaalsContact C-N 3.28Å; V668-S670 PolarHBondContact O-N 2.95Å; S670-S674 WeakPolarHBondContact O-CB 3.38Å; S670-S674 PolarHBondContact O-N 3.31Å; S670-S674 VanDerWaalsContact O-N 3.08Å
671L92.7Very high89.6Confident102 Ų10259.2 Ų59.253%0.53430%0.304SS..Hα-helixtrans-67.2-44.9176.3-66.2175.2000111.8Y667 V668 S674 S675Y667-L671 PolarHBondContact O-N 3.3Å; Y667-L671 VanDerWaalsContact O-N 3.16Å; V668-L671 PolarHBondContact O-N 3.04Å; V668-L671 VanDerWaalsContact O-N 3.15Å; L671-S674 PolarHBondContact O-N 2.89Å; L671-S675 PolarHBondContact O-N 3.42Å
672T90.8Very high89.2Confident3 Ų358 Ų582%0.01830%0.299CS..Hα-helixtrans-61-48.3177.8-60.70000110.9V668 P669 S674 S675 L676 L682 N686V668-T672 PolarHBondContact O-N 3.29Å; V668-T672 PolarHBondContact O-OG1 2.99Å; P669-T672 PolarHBondContact O-N 2.69Å; T672-S674 PolarHBondContact O-N 2.83Å; T672-S675 PolarHBondContact O-N 3.21Å; T672-L676 HydrophobicContact CG2-CD1 4.03Å; T672-L676 WeakPolarHBondContact O-CG 3.2Å; T672-L676 PolarHBondContact O-N 3.47Å; T672-L682 HydrophobicContact CG2-CD1 3.69Å; T672-N686 PolarHBondContact N-ND2 2.82Å; T672-N686 PolarHBondContact OG1-ND2 2.71Å
673H87.8Confident89Confident60 Ų6059.8 Ų59.828%0.27831%0.31SS..Hα-helixtrans-60.6-43.7179-17378000112.4L620 P669 S675 L676 Q677L620-H673 HydrophobicContact CD1-CB 3.37Å; P669-H673 WeakPolarHBondContact O-CB 3.42Å; P669-H673 PolarHBondContact O-N 3.12Å; H673-S675 VanDerWaalsContact C-N 3.33Å; H673-S675 PolarHBondContact O-N 3.19Å; H673-L676 PolarHBondContact O-N 2.61Å; H673-Q677 PolarHBondContact NE2-NE2 3.14Å; H673-Q677 WeakPolarHBondContact O-CB 3.44Å; H673-Q677 WeakPolarHBondContact O-CG 3.1Å; H673-Q677 PolarHBondContact O-N 3.29Å
674S89.9Confident88.7Confident49 Ų4963.8 Ų63.834%0.34333%0.327SS..Hα-helixtrans-61.3-39.2176.9-175.50000112.6S670 L671 T672 Q678S670-S674 WeakPolarHBondContact O-CB 3.38Å; S670-S674 PolarHBondContact O-N 3.31Å; S670-S674 VanDerWaalsContact O-N 3.08Å; L671-S674 PolarHBondContact O-N 2.89Å; T672-S674 PolarHBondContact O-N 2.83Å; S674-Q678 VanDerWaalsContact O-CG 3.26Å; S674-Q678 WeakPolarHBondContact O-CG 3.23Å; S674-Q678 PolarHBondContact O-N 3.43Å; S674-Q678 PolarHBondContact OG-NE2 3.47Å
675S88.1Confident88.6Confident12 Ų1266.7 Ų66.78%0.08434%0.34CS..Hα-helixtrans-69.5-40.1-179.9-168.20000112L671 T672 H673 Q678 K679 Q680 G681 P683L671-S675 PolarHBondContact O-N 3.42Å; T672-S675 PolarHBondContact O-N 3.21Å; H673-S675 VanDerWaalsContact C-N 3.33Å; H673-S675 PolarHBondContact O-N 3.19Å; S675-Q678 CarbonylContact O-C 3.56Å; S675-Q678 PolarHBondContact O-N 3.31Å; S675-K679 PolarHBondContact O-N 3.24Å; S675-Q680 PolarHBondContact O-N 2.92Å; S675-G681 PolarHBondContact OG-O 2.6Å; S675-G681 VanDerWaalsContact OG-O 3.11Å; S675-P683 WeakPolarHBondContact OG-CG 3.12Å
676L83.7Confident88.5Confident45 Ų4567.3 Ų67.324%0.23634%0.343CS..Hα-helixtrans-67.5-41.7175.8-65.9175.5000112.3T672 H673 Q678 K679 Y818 T822T672-L676 HydrophobicContact CG2-CD1 4.03Å; T672-L676 WeakPolarHBondContact O-CG 3.2Å; T672-L676 PolarHBondContact O-N 3.47Å; H673-L676 PolarHBondContact O-N 2.61Å; L676-Q678 PolarHBondContact O-N 2.92Å; L676-K679 PolarHBondContact O-N 3.07Å; L676-Y818 HydrophobicContact CD1-CD2 3.46Å; L676-Y818 VanDerWaalsContact CD1-CD2 3.46Å; L676-Y818 HydrophobicContact CD1-CE2 4.32Å; L676-Y818 HydrophobicContact CD1-CG 3.92Å; L676-T822 HydrophobicContact CD1-CG2 4.39Å; L676-T822 HydrophobicContact CD2-CG2 4.02Å
677Q81.8Confident88.5Confident135 Ų13569.8 Ų69.863%0.63135%0.354SS*.Hα-helixtrans-59-34.1173-77.7-174.3-28.100112.5H673 K679H673-Q677 PolarHBondContact NE2-NE2 3.14Å; H673-Q677 WeakPolarHBondContact O-CB 3.44Å; H673-Q677 WeakPolarHBondContact O-CG 3.1Å; H673-Q677 PolarHBondContact O-N 3.29Å; Q677-K679 PolarHBondContact O-N 2.73Å
678Q83.7Confident88.6Confident110 Ų11066.6 Ų66.651%0.51435%0.347SS..THydrogen-bonded Turntrans-835.6176.4-68173.218.400113.6S674 S675 L676 Q680S674-Q678 VanDerWaalsContact O-CG 3.26Å; S674-Q678 WeakPolarHBondContact O-CG 3.23Å; S674-Q678 PolarHBondContact O-N 3.43Å; S674-Q678 PolarHBondContact OG-NE2 3.47Å; S675-Q678 CarbonylContact O-C 3.56Å; S675-Q678 PolarHBondContact O-N 3.31Å; L676-Q678 PolarHBondContact O-N 2.92Å; Q678-Q680 HydrophobicContact CB-CG 4.11Å; Q678-Q680 PolarHBondContact O-N 3.44Å
679K77.2Confident88.6Confident196 Ų19668.2 Ų68.285%0.85236%0.355SS*.THydrogen-bonded Turntrans56.228.9-177.1-55.5-173177.5-171.30114S675 L676 Q677S675-K679 PolarHBondContact O-N 3.24Å; L676-K679 PolarHBondContact O-N 3.07Å; Q677-K679 PolarHBondContact O-N 2.73Å
680Q76.6Confident88.8Confident133 Ų13367.9 Ų67.962%0.62135%0.353SS*.  trans-88.3-2.9179-70.2170.13.400113.5S675 Q678S675-Q680 PolarHBondContact O-N 2.92Å; Q678-Q680 HydrophobicContact CB-CG 4.11Å; Q678-Q680 PolarHBondContact O-N 3.44Å
681G80.4Confident89Confident34 Ų3470.4 Ų70.435%0.35136%0.355SS..  trans80.3-171.8-17600000113.3S675 P683S675-G681 PolarHBondContact OG-O 2.6Å; S675-G681 VanDerWaalsContact OG-O 3.11Å; G681-P683 WeakPolarHBondContact O-CD 3.33Å
682L87.3Confident89.1Confident32 Ų3268.7 Ų68.717%0.16835%0.352CS..  trans-83118.6180176.756.8000110.9T672 L684 Q687 Y818 T822T672-L682 HydrophobicContact CG2-CD1 3.69Å; L682-L684 PolarHBondContact O-N 3.4Å; L682-Q687 HydrophobicContact CD2-CB 4.33Å; L682-Q687 HydrophobicContact CD2-CG 4.38Å; L682-Q687 HydrophobicContact CG-CB 4.45Å; L682-Y818 WeakPolarHBondContact CD1-O 3.42Å; L682-T822 HydrophobicContact CB-CG2 4.06Å; L682-T822 HydrophobicContact CD2-CG2 4.38Å
683P92.1Very high89.4Confident37 Ų3768.6 Ų68.624%0.2435%0.351CS..  trans-64.5127.3178.9-24.435.3000112.7S675 G681 L685 N686 Q687S675-P683 WeakPolarHBondContact OG-CG 3.12Å; G681-P683 WeakPolarHBondContact O-CD 3.33Å; P683-L685 VanDerWaalsContact C-N 3.27Å; P683-L685 PolarHBondContact O-N 2.69Å; P683-N686 HydrophobicContact CB-CB 4.27Å; P683-N686 WeakPolarHBondContact O-CB 3.33Å; P683-N686 PolarHBondContact O-N 2.9Å; P683-Q687 PolarHBondContact O-N 3.14Å; P683-Q687 VanDerWaalsContact O-N 3.08Å
684L90.7Very high89.7Confident117 Ų11767.1 Ų67.161%0.61335%0.345SS*.Hα-helixtrans-56.2-38.8-178.7-178.864.2000112.9L682 N686 Q687 I688L682-L684 PolarHBondContact O-N 3.4Å; L684-N686 PolarHBondContact O-N 2.77Å; L684-Q687 WeakPolarHBondContact O-CB 3.35Å; L684-Q687 PolarHBondContact O-N 3.5Å; L684-I688 HydrophobicContact CD1-CD1 4.31Å; L684-I688 HydrophobicContact CD1-CG1 4.41Å; L684-I688 HydrophobicContact CG-CD1 3.94Å; L684-I688 HydrophobicContact CG-CG1 4.46Å; L684-I688 VanDerWaalsContact O-CG1 3.31Å; L684-I688 WeakPolarHBondContact O-CG1 3.26Å; L684-I688 PolarHBondContact O-N 3.24Å
685L93.5Very high89.9Confident118 Ų11867.6 Ų67.662%0.61835%0.352SS*.Hα-helixtrans-63.9-41.5178.6-177.161.8000111.9P683 Q687 I688 I689P683-L685 VanDerWaalsContact C-N 3.27Å; P683-L685 PolarHBondContact O-N 2.69Å; L685-Q687 VanDerWaalsContact C-N 3.31Å; L685-Q687 PolarHBondContact O-N 2.8Å; L685-I688 PolarHBondContact O-N 2.9Å; L685-I689 HydrophobicContact CD1-CD1 4.36Å; L685-I689 HydrophobicContact CG-CD1 4.08Å; L685-I689 VanDerWaalsContact O-CG1 3.27Å; L685-I689 WeakPolarHBondContact O-CG1 3.27Å; L685-I689 PolarHBondContact O-N 2.72Å
686N94.1Very high90Very high12 Ų1268.6 Ų68.66%0.06436%0.359CS..Hα-helixtrans-65.6-39.2177.2-68.58.6000110.7V668 T672 P683 L684 I689 S690V668-N686 HydrophobicContact CG1-CB 4Å; T672-N686 PolarHBondContact N-ND2 2.82Å; T672-N686 PolarHBondContact OG1-ND2 2.71Å; P683-N686 HydrophobicContact CB-CB 4.27Å; P683-N686 WeakPolarHBondContact O-CB 3.33Å; P683-N686 PolarHBondContact O-N 2.9Å; L684-N686 PolarHBondContact O-N 2.77Å; N686-I689 PolarHBondContact O-N 2.93Å; N686-S690 WeakPolarHBondContact O-CB 3.39Å; N686-S690 PolarHBondContact O-N 2.8Å; N686-S690 PolarHBondContact O-OG 3.03Å
687Q93.8Very high90.4Very high60 Ų6066.5 Ų66.528%0.2835%0.348SS..Hα-helixtrans-63.2-47.1175.6-174.8175.352.400111.5L682 P683 L684 L685 I689 S690 W691 F820L682-Q687 HydrophobicContact CD2-CB 4.33Å; L682-Q687 HydrophobicContact CD2-CG 4.38Å; L682-Q687 HydrophobicContact CG-CB 4.45Å; P683-Q687 PolarHBondContact O-N 3.14Å; P683-Q687 VanDerWaalsContact O-N 3.08Å; L684-Q687 WeakPolarHBondContact O-CB 3.35Å; L684-Q687 PolarHBondContact O-N 3.5Å; L685-Q687 VanDerWaalsContact C-N 3.31Å; L685-Q687 PolarHBondContact O-N 2.8Å; Q687-I689 PolarHBondContact O-N 2.71Å; Q687-S690 PolarHBondContact O-N 3.03Å; Q687-W691 VanDerWaalsContact O-CD1 3.23Å; Q687-W691 PolarHBondContact O-N 3.02Å; Q687-F820 WeakPolarHBondContact CG-O 3.35Å; Q687-F820 PolarHBondContact NE2-O 3.21Å
688I95.7Very high90.7Very high88 Ų8863.2 Ų63.245%0.45133%0.334SS..Hα-helixtrans-59.2-46.8175.9-68.8166.3000110.6L684 L685 S690 S692L684-I688 HydrophobicContact CD1-CD1 4.31Å; L684-I688 HydrophobicContact CD1-CG1 4.41Å; L684-I688 HydrophobicContact CG-CD1 3.94Å; L684-I688 HydrophobicContact CG-CG1 4.46Å; L684-I688 VanDerWaalsContact O-CG1 3.31Å; L684-I688 WeakPolarHBondContact O-CG1 3.26Å; L684-I688 PolarHBondContact O-N 3.24Å; L685-I688 PolarHBondContact O-N 2.9Å; I688-S690 VanDerWaalsContact C-N 3.28Å; I688-S690 PolarHBondContact O-N 3.03Å; I688-S692 VanDerWaalsContact O-CB 3.23Å; I688-S692 WeakPolarHBondContact O-CB 3.44Å; I688-S692 PolarHBondContact O-N 3.46Å; I688-S692 PolarHBondContact O-OG 2.68Å
689I96.2Very high91Very high38 Ų3863.9 Ų63.920%0.19534%0.336CS..Hα-helixtrans-59.2-43177.8-69164.8000110.2V664 V668 L685 N686 Q687 S692 T693V664-I689 HydrophobicContact CG1-CD1 4.32Å; V664-I689 HydrophobicContact CG1-CG2 4.11Å; V668-I689 HydrophobicContact CG2-CD1 4.26Å; V668-I689 HydrophobicContact CG2-CG2 4.04Å; L685-I689 HydrophobicContact CD1-CD1 4.36Å; L685-I689 HydrophobicContact CG-CD1 4.08Å; L685-I689 VanDerWaalsContact O-CG1 3.27Å; L685-I689 WeakPolarHBondContact O-CG1 3.27Å; L685-I689 PolarHBondContact O-N 2.72Å; N686-I689 PolarHBondContact O-N 2.93Å; Q687-I689 PolarHBondContact O-N 2.71Å; I689-S692 PolarHBondContact O-N 2.79Å; I689-T693 VanDerWaalsContact O-CB 3.26Å; I689-T693 WeakPolarHBondContact O-CB 3.37Å; I689-T693 PolarHBondContact O-N 3.28Å; I689-T693 PolarHBondContact O-OG1 2.85Å
690S96.4Very high91.7Very high0 Ų056.4 Ų56.40%031%0.306CS..Hα-helixtrans-67.7-49.6-175.4-570000112.9N686 Q687 I688 S692 T693 L694 C819 F820N686-S690 WeakPolarHBondContact O-CB 3.39Å; N686-S690 PolarHBondContact O-N 2.8Å; N686-S690 PolarHBondContact O-OG 3.03Å; Q687-S690 PolarHBondContact O-N 3.03Å; I688-S690 VanDerWaalsContact C-N 3.28Å; I688-S690 PolarHBondContact O-N 3.03Å; S690-S692 PolarHBondContact O-N 2.75Å; S690-T693 PolarHBondContact O-N 3.44Å; S690-L694 PolarHBondContact O-N 3.39Å; S690-C819 VanDerWaalsContact CB-O 3.25Å; S690-C819 WeakPolarHBondContact CB-O 3.11Å; S690-C819 WeakPolarHBondContact OG-CB 3.42Å; S690-C819 PolarHBondContact OG-O 3.38Å; S690-C819 VanDerWaalsContact OG-O 3.05Å; S690-F820 VanDerWaalsContact C-CE1 3.45Å; S690-F820 VanDerWaalsContact O-CE1 3.3Å; S690-F820 WeakPolarHBondContact O-CE1 3.46Å
691W96.3Very high92.4Very high97 Ų9750.1 Ų50.137%0.36728%0.277SS..Hα-helixtrans-62.2-41.5175-74.3110.7000112.6Q687 T693 L694 A695 F820 L821 I828 L832Q687-W691 VanDerWaalsContact O-CD1 3.23Å; Q687-W691 PolarHBondContact O-N 3.02Å; W691-T693 VanDerWaalsContact C-N 3.33Å; W691-T693 PolarHBondContact O-N 2.91Å; W691-L694 HydrophobicContact CE3-CD2 3.93Å; W691-L694 HydrophobicContact CZ3-CD2 3.79Å; W691-L694 PolarHBondContact O-N 3.33Å; W691-A695 PolarHBondContact O-N 2.96Å; W691-F820 AromaticContact CD2-CD1 3.81Å; W691-F820 HydrophobicContact CD2-CD1 3.81Å; W691-F820 HydrophobicContact CD2-CE1 4.5Å; W691-F820 AromaticContact CE2-CD1 3.84Å; W691-F820 HydrophobicContact CE3-CD1 4.07Å; W691-F820 HydrophobicContact CE3-CE1 4.49Å; W691-F820 HydrophobicContact CG-CD1 4.24Å; W691-F820 HydrophobicContact CH2-CD1 4.35Å; W691-F820 HydrophobicContact CZ2-CB 4Å; W691-F820 HydrophobicContact CZ2-CD1 4.13Å; W691-F820 HydrophobicContact CZ3-CD1 4.33Å; W691-F820 PolarHBondContact NE1-O 3.4Å; W691-L821 HydrophobicContact CZ2-CD2 4.31Å; W691-I828 HydrophobicContact CH2-CG2 3.72Å; W691-I828 HydrophobicContact CZ2-CG2 4.25Å; W691-L832 HydrophobicContact CH2-CD1 4.36Å; W691-L832 HydrophobicContact CH2-CD2 4.36Å; W691-L832 HydrophobicContact CZ3-CD2 4.32Å
692S95.6Very high92.9Very high67 Ų6749.3 Ų49.347%0.46926%0.264SS..Hα-helixtrans-63.6-40.3176.3-54.50000111.8I688 I689 S690 S696I688-S692 VanDerWaalsContact O-CB 3.23Å; I688-S692 WeakPolarHBondContact O-CB 3.44Å; I688-S692 PolarHBondContact O-N 3.46Å; I688-S692 PolarHBondContact O-OG 2.68Å; I689-S692 PolarHBondContact O-N 2.79Å; S690-S692 PolarHBondContact O-N 2.75Å; S692-S696 WeakPolarHBondContact O-CB 3.34Å; S692-S696 PolarHBondContact O-N 3.21Å; S692-S696 PolarHBondContact O-OG 3.01Å; S692-S696 VanDerWaalsContact O-OG 3.07Å
693T96.2Very high93Very high1 Ų150.4 Ų50.41%0.00627%0.27CS..Hα-helixtrans-63.9-46.5177.7-59.60000110.7H661 I689 S690 W691 S696 S697 L725H661-T693 PolarHBondContact CE1-OG1 2.89Å; H661-T693 WeakPolarHBondContact NE2-CG2 3.47Å; H661-T693 PolarHBondContact NE2-OG1 3.22Å; I689-T693 VanDerWaalsContact O-CB 3.26Å; I689-T693 WeakPolarHBondContact O-CB 3.37Å; I689-T693 PolarHBondContact O-N 3.28Å; I689-T693 PolarHBondContact O-OG1 2.85Å; S690-T693 PolarHBondContact O-N 3.44Å; W691-T693 VanDerWaalsContact C-N 3.33Å; W691-T693 PolarHBondContact O-N 2.91Å; T693-S696 PolarHBondContact O-N 2.89Å; T693-S696 PolarHBondContact O-OG 3.21Å; T693-S697 PolarHBondContact O-N 3.39Å; T693-L725 HydrophobicContact CG2-CD1 3.71Å
694L94.7Very high92.8Very high29 Ų2948.7 Ų48.715%0.15226%0.259CS..Hα-helixtrans-57.1-51.9176.6178.566.9000111.6S690 W691 S696 S697 T722 F820 L832 W835S690-L694 PolarHBondContact O-N 3.39Å; W691-L694 HydrophobicContact CE3-CD2 3.93Å; W691-L694 HydrophobicContact CZ3-CD2 3.79Å; W691-L694 PolarHBondContact O-N 3.33Å; L694-S696 PolarHBondContact O-N 3.4Å; L694-S697 WeakPolarHBondContact O-CB 3.46Å; L694-S697 PolarHBondContact O-N 3.31Å; L694-S697 PolarHBondContact O-OG 2.98Å; L694-T722 HydrophobicContact CB-CG2 4.42Å; L694-T722 HydrophobicContact CD1-CG2 3.67Å; L694-F820 HydrophobicContact CB-CE1 3.91Å; L694-F820 HydrophobicContact CB-CZ 4.39Å; L694-F820 HydrophobicContact CD2-CE1 4.04Å; L694-L832 HydrophobicContact CD2-CD2 3.48Å; L694-L832 VanDerWaalsContact CD2-CD2 3.48Å; L694-W835 HydrophobicContact CD1-CD2 4.49Å; L694-W835 HydrophobicContact CD1-CG 3.94Å
695A92.8Very high92.6Very high58 Ų5843.6 Ų43.648%0.47923%0.233SC..Hα-helixtrans-61-45.3178.800000111.7W691 S697 F699W691-A695 PolarHBondContact O-N 2.96Å; A695-S697 VanDerWaalsContact C-N 3.27Å; A695-S697 PolarHBondContact O-N 3.2Å; A695-F699 WeakPolarHBondContact O-CD2 3.35Å
696S91.8Very high92.3Very high33 Ų3338.4 Ų38.423%0.23121%0.207CC..Hα-helixtrans-69.3-21.3-176.973.30000114.1S692 T693 L694 I698 F699 V700S692-S696 WeakPolarHBondContact O-CB 3.34Å; S692-S696 PolarHBondContact O-N 3.21Å; S692-S696 PolarHBondContact O-OG 3.01Å; S692-S696 VanDerWaalsContact O-OG 3.07Å; T693-S696 PolarHBondContact O-N 2.89Å; T693-S696 PolarHBondContact O-OG 3.21Å; L694-S696 PolarHBondContact O-N 3.4Å; S696-I698 PolarHBondContact O-N 3.41Å; S696-I698 VanDerWaalsContact O-N 3.13Å; S696-F699 PolarHBondContact O-N 3.22Å; S696-F699 VanDerWaalsContact O-N 3.15Å; S696-V700 WeakPolarHBondContact O-CB 3.37Å; S696-V700 VanDerWaalsContact O-CG2 3.31Å; S696-V700 WeakPolarHBondContact O-CG2 3.34Å; S696-V700 PolarHBondContact O-N 3.1Å
697S90.6Very high92Very high1 Ų142.8 Ų42.81%0.00722%0.222CC..Hα-helixtrans-57.3-30.1-175.472.30000114.5T693 L694 A695 P701 T722T693-S697 PolarHBondContact O-N 3.39Å; L694-S697 WeakPolarHBondContact O-CB 3.46Å; L694-S697 PolarHBondContact O-N 3.31Å; L694-S697 PolarHBondContact O-OG 2.98Å; A695-S697 VanDerWaalsContact C-N 3.27Å; A695-S697 PolarHBondContact O-N 3.2Å; S697-P701 WeakPolarHBondContact O-CD 3.49Å; S697-P701 VanDerWaalsContact O-CG 3.31Å; S697-P701 WeakPolarHBondContact O-CG 3.37Å; S697-T722 WeakPolarHBondContact CB-OG1 3.27Å
698I88.4Confident91.6Very high66 Ų6640 Ų4034%0.33821%0.209SC..Hα-helixtrans-88.1-40178.3-59176.3000111.2S696 W835 L917S696-I698 PolarHBondContact O-N 3.41Å; S696-I698 VanDerWaalsContact O-N 3.13Å; I698-W835 HydrophobicContact CD1-CH2 3.56Å; I698-W835 HydrophobicContact CD1-CZ2 4.05Å; I698-W835 HydrophobicContact CD1-CZ3 4.3Å; I698-W835 HydrophobicContact CG1-CH2 3.71Å; I698-W835 HydrophobicContact CG1-CZ2 3.85Å; I698-L917 HydrophobicContact CG2-CD2 4.13Å
699F90.7Very high91.2Very high125 Ų12537 Ų3755%0.54819%0.193SC..Hα-helixtrans-82.2-38.3-172.3-62.9-71.7000113.6A695 S696 L702A695-F699 WeakPolarHBondContact O-CD2 3.35Å; S696-F699 PolarHBondContact O-N 3.22Å; S696-F699 VanDerWaalsContact O-N 3.15Å; F699-L702 WeakPolarHBondContact O-CB 3.48Å; F699-L702 PolarHBondContact O-N 3.03Å; F699-L702 VanDerWaalsContact O-N 3.08Å
700V91.5Very high90.8Very high39 Ų3935.4 Ų35.424%0.23619%0.185CC..Hα-helixtrans-60.6-42.9-176.7172.30000112.1Q654 Q658 S696 L702 L703Q654-V700 PolarHBondContact NE2-O 3.43Å; Q658-V700 HydrophobicContact CG-CG1 3.82Å; S696-V700 WeakPolarHBondContact O-CB 3.37Å; S696-V700 VanDerWaalsContact O-CG2 3.31Å; S696-V700 WeakPolarHBondContact O-CG2 3.34Å; S696-V700 PolarHBondContact O-N 3.1Å; V700-L702 VanDerWaalsContact C-N 3.29Å; V700-L702 PolarHBondContact O-N 3.13Å; V700-L703 WeakPolarHBondContact O-CB 3.43Å; V700-L703 PolarHBondContact O-N 3.15Å
701P91.2Very high90.6Very high1 Ų135.4 Ų35.41%0.00619%0.185CC..Hα-helixtrans-53.9-46.3172.7-2836.8000111.6S697 L703 S704 R711 I715S697-P701 WeakPolarHBondContact O-CD 3.49Å; S697-P701 VanDerWaalsContact O-CG 3.31Å; S697-P701 WeakPolarHBondContact O-CG 3.37Å; P701-L703 PolarHBondContact O-N 3.33Å; P701-S704 VanDerWaalsContact O-CB 3.3Å; P701-S704 WeakPolarHBondContact O-CB 3.34Å; P701-S704 PolarHBondContact O-N 3.41Å; P701-S704 PolarHBondContact O-OG 3.4Å; P701-R711 PolarHBondContact O-NH1 2.97Å; P701-I715 HydrophobicContact CB-CG1 3.74Å; P701-I715 HydrophobicContact CG-CG1 4.27Å
702L90.9Very high90.4Very high16 Ų1632.2 Ų32.28%0.08418%0.175CC..Hα-helixtrans-57.8-16.8-177-61176.1000114.6F699 V700 R711 L917 K920 R921 L922F699-L702 WeakPolarHBondContact O-CB 3.48Å; F699-L702 PolarHBondContact O-N 3.03Å; F699-L702 VanDerWaalsContact O-N 3.08Å; V700-L702 VanDerWaalsContact C-N 3.29Å; V700-L702 PolarHBondContact O-N 3.13Å; L702-R711 VanDerWaalsContact CA-NH1 3.34Å; L702-L917 HydrophobicContact CD2-CD2 4.29Å; L702-L917 HydrophobicContact CG-CD2 4.47Å; L702-K920 HydrophobicContact CD2-CB 4.45Å; L702-R921 CarbonylContact O-C 3.47Å; L702-R921 VanDerWaalsContact O-CA 3.29Å; L702-R921 WeakPolarHBondContact O-CA 3.44Å; L702-L922 HydrophobicContact CB-CB 4.44Å; L702-L922 HydrophobicContact CB-CD1 3.84Å; L702-L922 HydrophobicContact CB-CG 3.94Å; L702-L922 HydrophobicContact CD1-CD1 3.91Å; L702-L922 HydrophobicContact CD1-CG 4.35Å; L702-L922 PolarHBondContact O-N 3.33Å
703L89.5Confident90.2Very high56 Ų5629.8 Ų29.829%0.29316%0.156SC..Hα-helixtrans-80.4-20.3174.4-57.2176.4000113.3Q654 V700 P701 L922 L924Q654-L703 PolarHBondContact OE1-O 3.47Å; V700-L703 WeakPolarHBondContact O-CB 3.43Å; V700-L703 PolarHBondContact O-N 3.15Å; P701-L703 PolarHBondContact O-N 3.33Å; L703-L922 HydrophobicContact CD2-CB 3.94Å; L703-L924 HydrophobicContact CD1-CD1 4.13Å; L703-L924 HydrophobicContact CD2-CD1 3.47Å; L703-L924 VanDerWaalsContact CD2-CD1 3.47Å; L703-L924 HydrophobicContact CD2-CG 3.96Å; L703-L924 HydrophobicContact CG-CD1 4.47Å
704S88.1Confident90.1Very high1 Ų129.8 Ų29.81%0.00716%0.156CC..SBendtrans-71.4170.1-176.982.40000113Q654 P701 R711 R921Q654-S704 VanDerWaalsContact OE1-CA 3.29Å; P701-S704 VanDerWaalsContact O-CB 3.3Å; P701-S704 WeakPolarHBondContact O-CB 3.34Å; P701-S704 PolarHBondContact O-N 3.41Å; P701-S704 PolarHBondContact O-OG 3.4Å; S704-R711 PolarHBondContact O-NH2 3.44Å; S704-R711 VanDerWaalsContact OG-CZ 3.31Å; S704-R711 PolarHBondContact OG-NH1 3.35Å; S704-R921 WeakPolarHBondContact O-CD 3.47Å; S704-R921 PolarHBondContact O-NE 2.83Å
705S87.3Confident90.1Very high9 Ų928.6 Ų28.66%0.06315%0.15CC..  trans-60.5145.7165.4-179.60000111D651 R707 R711D651-S705 WeakPolarHBondContact OD2-CB 3.36Å; S705-R707 VanDerWaalsContact C-N 3.27Å; S705-R707 WeakPolarHBondContact OG-CG 3.33Å; S705-R707 PolarHBondContact OG-N 3.35Å; S705-R711 PolarHBondContact O-NE 2.97Å; S705-R711 PolarHBondContact O-NH2 3.17Å
706T87.3Confident90.2Very high10 Ų1026.8 Ų26.86%0.06113%0.131CC..  trans-83.62.9172.6470000113.3L708 D768 F769 S770 R921T706-L708 PolarHBondContact O-N 3.27Å; T706-D768 WeakPolarHBondContact CB-OD1 3.35Å; T706-D768 VanDerWaalsContact OG1-CG 3.31Å; T706-D768 PolarHBondContact OG1-OD1 3.38Å; T706-D768 PolarHBondContact OG1-OD2 3.14Å; T706-F769 WeakPolarHBondContact O-CD2 3.39Å; T706-F769 PolarHBondContact O-N 3.27Å; T706-S770 PolarHBondContact OG1-OG 2.74Å; T706-R921 HydrophobicContact CG2-CB 4.05Å
707R86.5Confident90.4Very high103 Ų10325.2 Ų25.239%0.38912%0.12SC..BIsolated β-bridgetrans-59.8133.4168.8-71.4-178.7-174.3176.23110.1S705 F709 H710 R711S705-R707 VanDerWaalsContact C-N 3.27Å; S705-R707 WeakPolarHBondContact OG-CG 3.33Å; S705-R707 PolarHBondContact OG-N 3.35Å; R707-F709 PolarHBondContact O-N 3.26Å; R707-H710 HydrophobicContact CB-CB 4.27Å; R707-H710 PolarHBondContact O-N 3.33Å; R707-H710 VanDerWaalsContact O-N 3.08Å; R707-R711 WeakPolarHBondContact O-CB 3.44Å; R707-R711 PolarHBondContact O-N 3.13Å
708L86.4Confident90.6Very high1 Ų125.5 Ų25.51%0.00512%0.122CC..Hα-helixtrans-42.1-67.2-168.4-174.3162.3000113.7T706 H710 R711 L712 L764 I767 F769 T850T706-L708 PolarHBondContact O-N 3.27Å; L708-H710 PolarHBondContact O-N 3Å; L708-R711 PolarHBondContact O-N 3.16Å; L708-L712 HydrophobicContact CD2-CD1 3.91Å; L708-L712 WeakPolarHBondContact O-CG 3.31Å; L708-L712 PolarHBondContact O-N 2.89Å; L708-L764 HydrophobicContact CD1-CD2 4.27Å; L708-I767 HydrophobicContact CB-CB 4.35Å; L708-I767 HydrophobicContact CD1-CB 3.88Å; L708-I767 HydrophobicContact CD1-CD1 4.14Å; L708-I767 HydrophobicContact CD1-CG2 3.98Å; L708-I767 PolarHBondContact N-O 2.78Å; L708-F769 HydrophobicContact CB-CE2 4.28Å; L708-F769 HydrophobicContact CG-CE2 4.26Å; L708-F769 HydrophobicContact CG-CZ 4.26Å; L708-T850 HydrophobicContact CD1-CG2 3.44Å; L708-T850 VanDerWaalsContact CD1-CG2 3.44Å; L708-T850 HydrophobicContact CD2-CG2 3.76Å; L708-T850 HydrophobicContact CG-CG2 3.63Å
709F86.6Confident90.9Very high27 Ų2722.5 Ų22.512%0.11811%0.107CC..Hα-helixtrans-75.1-22.4-174.8-65.4-63.7000114.2Y637 R707 L712 L713 F743 I746 L764Y637-F709 HydrophobicContact CE2-CB 3.96Å; Y637-F709 HydrophobicContact CE2-CG 4.42Å; Y637-F709 WeakPolarHBondContact OH-CB 3.42Å; R707-F709 PolarHBondContact O-N 3.26Å; F709-L712 HydrophobicContact CD1-CD1 4.47Å; F709-L713 WeakPolarHBondContact O-CB 3.48Å; F709-L713 PolarHBondContact O-N 3.36Å; F709-L713 VanDerWaalsContact O-N 3.12Å; F709-F743 AromaticContact CD1-CD2 3.86Å; F709-F743 HydrophobicContact CD1-CD2 3.86Å; F709-F743 AromaticContact CD1-CE2 3.54Å; F709-F743 HydrophobicContact CD1-CE2 3.54Å; F709-F743 AromaticContact CE1-CD2 3.61Å; F709-F743 HydrophobicContact CE1-CD2 3.61Å; F709-F743 AromaticContact CE1-CE2 3.31Å; F709-F743 HydrophobicContact CE1-CE2 3.31Å; F709-F743 HydrophobicContact CE1-CZ 4.31Å; F709-F743 HydrophobicContact CG-CE2 4.36Å; F709-F743 AromaticContact CZ-CE2 3.95Å; F709-F743 HydrophobicContact CZ-CE2 3.95Å; F709-I746 HydrophobicContact CE1-CG2 4.47Å; F709-I746 HydrophobicContact CZ-CG2 4.45Å; F709-L764 HydrophobicContact CE2-CB 3.62Å; F709-L764 HydrophobicContact CE2-CD1 4.19Å; F709-L764 HydrophobicContact CZ-CB 4.08Å; F709-L764 HydrophobicContact CZ-CD1 3.83Å
710H88.5Confident91.1Very high4 Ų416.5 Ų16.52%0.0198%0.081CC..Hα-helixtrans-70-44.2173.4-67-177.6000110.6L647 F655 R707 L708 L713 S714L647-H710 WeakPolarHBondContact CD2-CE1 3.41Å; F655-H710 HydrophobicContact CZ-CB 4.01Å; F655-H710 WeakPolarHBondContact CZ-O 3.45Å; R707-H710 HydrophobicContact CB-CB 4.27Å; R707-H710 PolarHBondContact O-N 3.33Å; R707-H710 VanDerWaalsContact O-N 3.08Å; L708-H710 PolarHBondContact O-N 3Å; H710-L713 PolarHBondContact O-N 3.45Å; H710-S714 PolarHBondContact O-N 3.42Å
711R91.2Very high91.3Very high0 Ų014.7 Ų14.70%07%0.07CC..Hα-helixtrans-61.1-50.6176.5175.360.169.6-171.7-18.1111.2P701 L702 S704 S705 R707 L708 L713 S714 I715 F769 L917 T918 K920P701-R711 PolarHBondContact O-NH1 2.97Å; L702-R711 VanDerWaalsContact CA-NH1 3.34Å; S704-R711 PolarHBondContact O-NH2 3.44Å; S704-R711 VanDerWaalsContact OG-CZ 3.31Å; S704-R711 PolarHBondContact OG-NH1 3.35Å; S705-R711 PolarHBondContact O-NE 2.97Å; S705-R711 PolarHBondContact O-NH2 3.17Å; R707-R711 WeakPolarHBondContact O-CB 3.44Å; R707-R711 PolarHBondContact O-N 3.13Å; L708-R711 PolarHBondContact O-N 3.16Å; R711-L713 VanDerWaalsContact C-N 3.33Å; R711-L713 PolarHBondContact O-N 2.88Å; R711-S714 PolarHBondContact O-N 3.04Å; R711-I715 HydrophobicContact CG-CD1 3.99Å; R711-I715 WeakPolarHBondContact O-CG1 3.47Å; R711-I715 PolarHBondContact O-N 3.38Å; R711-F769 HydrophobicContact CB-CD2 4.08Å; R711-F769 HydrophobicContact CB-CE2 4.12Å; R711-F769 HydrophobicContact CG-CD2 3.93Å; R711-F769 HydrophobicContact CG-CE2 4.01Å; R711-L917 VanDerWaalsContact CD-O 3.24Å; R711-L917 WeakPolarHBondContact CD-O 3.36Å; R711-L917 PolarHBondContact NE-O 3.34Å; R711-L917 PolarHBondContact NH1-O 3.24Å; R711-T918 PolarHBondContact NE-O 3.24Å; R711-K920 PolarHBondContact NH2-O 2.99Å
712L91.7Very high91.5Very high30 Ų3014.7 Ų14.716%0.1577%0.07CC..Hα-helixtrans-60.8-41179.3-67.1178.6000112.1L708 F709 I715 F716 I746 F769 C846L708-L712 HydrophobicContact CD2-CD1 3.91Å; L708-L712 WeakPolarHBondContact O-CG 3.31Å; L708-L712 PolarHBondContact O-N 2.89Å; F709-L712 HydrophobicContact CD1-CD1 4.47Å; L712-I715 PolarHBondContact O-N 3.22Å; L712-F716 WeakPolarHBondContact O-CB 3.12Å; L712-F716 PolarHBondContact O-N 3.35Å; L712-I746 HydrophobicContact CD1-CD1 3.89Å; L712-F769 HydrophobicContact CD2-CZ 4.45Å; L712-F769 HydrophobicContact CG-CE2 4.47Å; L712-C846 HydrophobicContact CD2-CB 3.64Å
713L92.6Very high91.7Very high16 Ų1614 Ų148%0.0847%0.066CC..Hα-helixtrans-63.2-41.9175.7-177.869000112.1Y637 L638 F655 F709 H710 R711 F716 L717Y637-L713 HydrophobicContact CD1-CD1 4.34Å; Y637-L713 HydrophobicContact CD1-CD2 3.58Å; Y637-L713 HydrophobicContact CD1-CG 4.41Å; Y637-L713 HydrophobicContact CE1-CB 4.47Å; Y637-L713 HydrophobicContact CE1-CD2 3.77Å; L638-L713 HydrophobicContact CD2-CD2 3.84Å; L638-L713 HydrophobicContact CG-CD2 4.09Å; F655-L713 HydrophobicContact CD1-CD2 3.82Å; F655-L713 HydrophobicContact CD1-CG 4.25Å; F655-L713 HydrophobicContact CE1-CB 4.12Å; F655-L713 HydrophobicContact CE1-CD2 3.73Å; F655-L713 HydrophobicContact CE1-CG 4.01Å; F655-L713 HydrophobicContact CG-CD2 4.35Å; F655-L713 HydrophobicContact CZ-CD2 4.18Å; F709-L713 WeakPolarHBondContact O-CB 3.48Å; F709-L713 PolarHBondContact O-N 3.36Å; F709-L713 VanDerWaalsContact O-N 3.12Å; H710-L713 PolarHBondContact O-N 3.45Å; R711-L713 VanDerWaalsContact C-N 3.33Å; R711-L713 PolarHBondContact O-N 2.88Å; L713-F716 HydrophobicContact CD1-CD1 4.35Å; L713-F716 PolarHBondContact O-N 3.05Å; L713-L717 HydrophobicContact CD1-CD1 4.37Å; L713-L717 HydrophobicContact CD1-CG 4.44Å; L713-L717 HydrophobicContact CG-CD1 4.06Å; L713-L717 WeakPolarHBondContact O-CG 3.38Å; L713-L717 PolarHBondContact O-N 3.07Å
714S93.9Very high92Very high0 Ų011.3 Ų11.30%05%0.052CC..Hα-helixtrans-66.5-40.9179.7-164.20000111.8Q654 Q658 H710 R711 S718Q654-S714 PolarHBondContact NE2-OG 3.18Å; Q658-S714 PolarHBondContact NE2-O 3.18Å; Q658-S714 PolarHBondContact NE2-OG 3.13Å; Q658-S714 VanDerWaalsContact NE2-OG 3.1Å; Q658-S714 PolarHBondContact OE1-OG 3.35Å; H710-S714 PolarHBondContact O-N 3.42Å; R711-S714 PolarHBondContact O-N 3.04Å; S714-S718 WeakPolarHBondContact O-CB 3.05Å; S714-S718 PolarHBondContact O-N 3.44Å; S714-S718 VanDerWaalsContact O-N 3.15Å
715I94.6Very high92.3Very high4 Ų411.3 Ų11.32%0.0215%0.052CC..Hα-helixtrans-60.9-49.9172.8-66.6169.6000110.1P701 R711 L712 L717 S718 L719 I842 L917 T918P701-I715 HydrophobicContact CB-CG1 3.74Å; P701-I715 HydrophobicContact CG-CG1 4.27Å; R711-I715 HydrophobicContact CG-CD1 3.99Å; R711-I715 WeakPolarHBondContact O-CG1 3.47Å; R711-I715 PolarHBondContact O-N 3.38Å; L712-I715 PolarHBondContact O-N 3.22Å; I715-L717 PolarHBondContact O-N 2.92Å; I715-S718 PolarHBondContact O-N 2.95Å; I715-L719 HydrophobicContact CG2-CD1 3.6Å; I715-L719 HydrophobicContact CG2-CG 4.12Å; I715-L719 WeakPolarHBondContact O-CB 3.26Å; I715-L719 WeakPolarHBondContact O-CG 3.39Å; I715-L719 PolarHBondContact O-N 3.31Å; I715-I842 HydrophobicContact CG2-CG2 4.33Å; I715-L917 HydrophobicContact CD1-CB 4.27Å; I715-T918 HydrophobicContact CD1-CG2 4.22Å
716F95.1Very high92.5Very high20 Ų2010.9 Ų10.99%0.0885%0.049CC..Hα-helixtrans-56.9-48.7-179.9168.7-113.8000112.7T630 L712 L713 T720 P736 S739T630-F716 HydrophobicContact CG2-CE1 3.68Å; T630-F716 HydrophobicContact CG2-CZ 3.73Å; L712-F716 WeakPolarHBondContact O-CB 3.12Å; L712-F716 PolarHBondContact O-N 3.35Å; L713-F716 HydrophobicContact CD1-CD1 4.35Å; L713-F716 PolarHBondContact O-N 3.05Å; F716-T720 WeakPolarHBondContact CD2-OG1 3.47Å; F716-T720 WeakPolarHBondContact CE2-OG1 3.38Å; F716-T720 VanDerWaalsContact O-CB 3.23Å; F716-T720 WeakPolarHBondContact O-CB 3.11Å; F716-T720 PolarHBondContact O-N 2.97Å; F716-T720 PolarHBondContact O-OG1 2.96Å; F716-P736 HydrophobicContact CE2-CB 4.32Å; F716-P736 HydrophobicContact CZ-CB 4.02Å; F716-S739 WeakPolarHBondContact CD2-OG 3.26Å; F716-S739 VanDerWaalsContact CE2-OG 3.3Å; F716-S739 WeakPolarHBondContact CE2-OG 3.49Å
717L95.7Very high92.6Very high0 Ų010.6 Ų10.60%05%0.047CC..Hα-helixtrans-61.6-46.4179.2-74.8168.8000111.9T630 S634 F655 Q658 M659 V662 L713 I715 S721T630-L717 HydrophobicContact CG2-CD2 4.14Å; S634-L717 WeakPolarHBondContact OG-CD2 3Å; F655-L717 HydrophobicContact CD1-CD1 4.14Å; Q658-L717 HydrophobicContact CB-CB 4.07Å; Q658-L717 HydrophobicContact CB-CD1 3.95Å; M659-L717 HydrophobicContact CG-CD1 4.28Å; M659-L717 HydrophobicContact CG-CD2 4.2Å; V662-L717 HydrophobicContact CG2-CD2 3.96Å; L713-L717 HydrophobicContact CD1-CD1 4.37Å; L713-L717 HydrophobicContact CD1-CG 4.44Å; L713-L717 HydrophobicContact CG-CD1 4.06Å; L713-L717 WeakPolarHBondContact O-CG 3.38Å; L713-L717 PolarHBondContact O-N 3.07Å; I715-L717 PolarHBondContact O-N 2.92Å; L717-S721 PolarHBondContact O-N 3.25Å; L717-S721 VanDerWaalsContact O-N 3.09Å; L717-S721 PolarHBondContact O-OG 3.48Å
718S95.2Very high92.7Very high7 Ų76.7 Ų6.75%0.0494%0.035CC..Hα-helixtrans-65.9-44.2-179.7-81.70000113.3Q658 S714 I715 T722Q658-S718 PolarHBondContact NE2-OG 3.35Å; S714-S718 WeakPolarHBondContact O-CB 3.05Å; S714-S718 PolarHBondContact O-N 3.44Å; S714-S718 VanDerWaalsContact O-N 3.15Å; I715-S718 PolarHBondContact O-N 2.95Å; S718-T722 PolarHBondContact O-N 3.32Å; S718-T722 PolarHBondContact O-OG1 3.28Å
719L94.8Very high92.8Very high3 Ų37 Ų72%0.0164%0.038CC..Hα-helixtrans-71.7-36.2179.8-63.5-179000111.9I715 T722 Y723 W835 I839 I842 I843I715-L719 HydrophobicContact CG2-CD1 3.6Å; I715-L719 HydrophobicContact CG2-CG 4.12Å; I715-L719 WeakPolarHBondContact O-CB 3.26Å; I715-L719 WeakPolarHBondContact O-CG 3.39Å; I715-L719 PolarHBondContact O-N 3.31Å; L719-T722 PolarHBondContact O-N 2.9Å; L719-Y723 WeakPolarHBondContact O-CB 3.42Å; L719-Y723 PolarHBondContact O-N 3.19Å; L719-W835 HydrophobicContact CD2-CZ2 4.34Å; L719-I839 HydrophobicContact CB-CG1 4.34Å; L719-I839 HydrophobicContact CB-CG2 3.8Å; L719-I839 HydrophobicContact CD1-CG2 4.44Å; L719-I839 HydrophobicContact CD2-CG1 4.3Å; L719-I842 HydrophobicContact CD1-CB 3.93Å; L719-I842 HydrophobicContact CD1-CD1 4.31Å; L719-I842 HydrophobicContact CD1-CG2 3.68Å; L719-I842 HydrophobicContact CD2-CD1 4.46Å; L719-I843 HydrophobicContact CD1-CG1 4.46Å
720T94.9Very high92.8Very high0 Ų06.1 Ų6.10%04%0.035CC..Hα-helixtrans-66.9-38.1177.4-54.60000111.4T630 F716 T722 Y723 L724T630-T720 HydrophobicContact CG2-CG2 3.87Å; T630-T720 WeakPolarHBondContact OG1-CG2 3.49Å; F716-T720 WeakPolarHBondContact CD2-OG1 3.47Å; F716-T720 WeakPolarHBondContact CE2-OG1 3.38Å; F716-T720 VanDerWaalsContact O-CB 3.23Å; F716-T720 WeakPolarHBondContact O-CB 3.11Å; F716-T720 PolarHBondContact O-N 2.97Å; F716-T720 PolarHBondContact O-OG1 2.96Å; T720-T722 VanDerWaalsContact C-N 3.31Å; T720-T722 PolarHBondContact O-N 3.41Å; T720-Y723 PolarHBondContact O-N 3.21Å; T720-L724 HydrophobicContact CG2-CD1 4.41Å; T720-L724 HydrophobicContact CG2-CG 4.32Å; T720-L724 VanDerWaalsContact O-CG 3.29Å; T720-L724 WeakPolarHBondContact O-CG 3.24Å; T720-L724 PolarHBondContact O-N 3.05Å
721S95.9Very high92.8Very high1 Ų16.8 Ų6.81%0.0074%0.038CC..Hα-helixtrans-52-49.6171.3-76.90000111.9V662 L717V662-S721 VanDerWaalsContact CG2-OG 3.25Å; V662-S721 WeakPolarHBondContact CG2-OG 3.44Å; L717-S721 PolarHBondContact O-N 3.25Å; L717-S721 VanDerWaalsContact O-N 3.09Å; L717-S721 PolarHBondContact O-OG 3.48Å
722T95.4Very high92.8Very high0 Ų06.8 Ų6.80%04%0.038CC..Hα-helixtrans-66.8-40.8177.7-49.60000112.3L694 S697 S718 L719 T720 L724 L725 L726 I839L694-T722 HydrophobicContact CB-CG2 4.42Å; L694-T722 HydrophobicContact CD1-CG2 3.67Å; S697-T722 WeakPolarHBondContact CB-OG1 3.27Å; S718-T722 PolarHBondContact O-N 3.32Å; S718-T722 PolarHBondContact O-OG1 3.28Å; L719-T722 PolarHBondContact O-N 2.9Å; T720-T722 VanDerWaalsContact C-N 3.31Å; T720-T722 PolarHBondContact O-N 3.41Å; T722-L724 VanDerWaalsContact C-N 3.32Å; T722-L724 PolarHBondContact O-N 2.91Å; T722-L725 PolarHBondContact O-N 3.47Å; T722-L726 HydrophobicContact CG2-CD1 4.06Å; T722-L726 PolarHBondContact O-N 3.36Å; T722-I839 HydrophobicContact CG2-CD1 4.39Å
723Y94.4Very high92.9Very high1 Ų17.2 Ų7.20%0.0044%0.041CC..Hα-helixtrans-62.2-38.3-179.7-163.7-82.2000112.4L719 T720 L725 L726 S727 E731 P735 T803 K836 I839 P840L719-Y723 WeakPolarHBondContact O-CB 3.42Å; L719-Y723 PolarHBondContact O-N 3.19Å; T720-Y723 PolarHBondContact O-N 3.21Å; Y723-L725 VanDerWaalsContact C-N 3.3Å; Y723-L725 PolarHBondContact O-N 3.34Å; Y723-L726 CarbonylContact O-C 3.59Å; Y723-L726 PolarHBondContact O-N 3.13Å; Y723-L726 VanDerWaalsContact O-N 3.1Å; Y723-S727 VanDerWaalsContact CD1-OG 3.29Å; Y723-S727 WeakPolarHBondContact CD1-OG 3.47Å; Y723-S727 VanDerWaalsContact CE1-OG 3.26Å; Y723-S727 WeakPolarHBondContact CE1-OG 3.43Å; Y723-S727 PolarHBondContact O-N 2.91Å; Y723-S727 PolarHBondContact O-OG 3.29Å; Y723-E731 WeakPolarHBondContact CE1-O 3.29Å; Y723-E731 PolarHBondContact OH-O 3.34Å; Y723-P735 HydrophobicContact CD1-CG 3.61Å; Y723-P735 HydrophobicContact CD2-CG 3.83Å; Y723-P735 HydrophobicContact CE1-CG 3.67Å; Y723-P735 HydrophobicContact CE2-CG 3.88Å; Y723-P735 HydrophobicContact CG-CG 3.69Å; Y723-T803 HydrophobicContact CE2-CG2 4.02Å; Y723-T803 VanDerWaalsContact OH-CB 3.26Å; Y723-T803 WeakPolarHBondContact OH-CB 3.45Å; Y723-T803 WeakPolarHBondContact OH-CG2 3.26Å; Y723-K836 HydrophobicContact CD2-CG 4.12Å; Y723-K836 HydrophobicContact CE2-CG 3.71Å; Y723-K836 WeakPolarHBondContact CE2-O 3.33Å; Y723-I839 HydrophobicContact CD2-CB 4.06Å; Y723-I839 HydrophobicContact CD2-CD1 4.01Å; Y723-I839 HydrophobicContact CD2-CG2 3.89Å; Y723-P840 HydrophobicContact CE2-CG 4.27Å
724L95.1Very high92.9Very high0 Ų06.5 Ų6.50%04%0.037CC..Hα-helixtrans-60.8-38.6176.5-70.4171.3000112.3V623 A626 V662 C665 L666 T720 T722 L726 S727 A732V623-L724 HydrophobicContact CG1-CD2 3.92Å; A626-L724 HydrophobicContact CB-CD2 3.94Å; V662-L724 HydrophobicContact CG1-CD1 4.19Å; C665-L724 HydrophobicContact CB-CD1 4.49Å; L666-L724 HydrophobicContact CB-CD1 4.22Å; T720-L724 HydrophobicContact CG2-CD1 4.41Å; T720-L724 HydrophobicContact CG2-CG 4.32Å; T720-L724 VanDerWaalsContact O-CG 3.29Å; T720-L724 WeakPolarHBondContact O-CG 3.24Å; T720-L724 PolarHBondContact O-N 3.05Å; T722-L724 VanDerWaalsContact C-N 3.32Å; T722-L724 PolarHBondContact O-N 2.91Å; L724-L726 PolarHBondContact O-N 3.39Å; L724-S727 PolarHBondContact O-N 3.03Å; L724-A732 HydrophobicContact CD2-CB 4.23Å
725L95.1Very high92.9Very high2 Ų26.5 Ų6.51%0.014%0.037CC..Hα-helixtrans-71-18.7177.7-59.8-179.5000113.3C665 V668 P669 T693 T722 Y723 F820C665-L725 HydrophobicContact CB-CD2 4.03Å; C665-L725 HydrophobicContact CB-CG 4.16Å; V668-L725 HydrophobicContact CB-CD2 3.79Å; V668-L725 HydrophobicContact CG1-CD2 3.81Å; P669-L725 HydrophobicContact CG-CD2 4.2Å; T693-L725 HydrophobicContact CG2-CD1 3.71Å; T722-L725 PolarHBondContact O-N 3.47Å; Y723-L725 VanDerWaalsContact C-N 3.3Å; Y723-L725 PolarHBondContact O-N 3.34Å; L725-F820 HydrophobicContact CB-CE2 4.16Å; L725-F820 HydrophobicContact CB-CZ 4.37Å
726L91.8Very high92.9Very high0 Ų06.4 Ų6.40%04%0.037CC..THydrogen-bonded Turntrans-100.812.3178.5-65.5167.6000112.5T722 Y723 L724 S816 I817 F820 L832 M833 K836T722-L726 HydrophobicContact CG2-CD1 4.06Å; T722-L726 PolarHBondContact O-N 3.36Å; Y723-L726 CarbonylContact O-C 3.59Å; Y723-L726 PolarHBondContact O-N 3.13Å; Y723-L726 VanDerWaalsContact O-N 3.1Å; L724-L726 PolarHBondContact O-N 3.39Å; L726-S816 CarbonylContact C-O 3.54Å; L726-S816 VanDerWaalsContact CA-O 3.26Å; L726-S816 WeakPolarHBondContact CA-O 3.28Å; L726-I817 HydrophobicContact CD2-CG2 4.27Å; L726-F820 HydrophobicContact CD2-CD2 4.01Å; L726-F820 HydrophobicContact CD2-CE2 3.44Å; L726-F820 VanDerWaalsContact CD2-CE2 3.44Å; L726-F820 HydrophobicContact CD2-CZ 4.15Å; L726-F820 HydrophobicContact CG-CE2 3.98Å; L726-F820 HydrophobicContact CG-CZ 4.44Å; L726-L832 HydrophobicContact CD2-CB 4.17Å; L726-M833 HydrophobicContact CD2-CE 4.05Å; L726-K836 HydrophobicContact CB-CB 4.32Å; L726-K836 HydrophobicContact CB-CD 4.08Å; L726-K836 HydrophobicContact CB-CG 4.13Å; L726-K836 HydrophobicContact CD1-CB 4.03Å; L726-K836 WeakPolarHBondContact O-CD 3.42Å; L726-K836 WeakPolarHBondContact O-CE 3.3Å; L726-K836 PolarHBondContact O-NZ 3.11Å
727S90.1Very high92.9Very high4 Ų46.4 Ų6.43%0.0284%0.038CC..  trans-120.7145.5-173.2-61.50000112.6Y723 L724Y723-S727 VanDerWaalsContact CD1-OG 3.29Å; Y723-S727 WeakPolarHBondContact CD1-OG 3.47Å; Y723-S727 VanDerWaalsContact CE1-OG 3.26Å; Y723-S727 WeakPolarHBondContact CE1-OG 3.43Å; Y723-S727 PolarHBondContact O-N 2.91Å; Y723-S727 PolarHBondContact O-OG 3.29Å; L724-S727 PolarHBondContact O-N 3.03Å
728T87.1Confident92.9Very high21 Ų216.4 Ų6.413%0.1294%0.038CC..SBendtrans-119.1-13.2179.553.20000112.7P618 N619 E731 A815P618-T728 CarbonylContact C-O 3.55Å; P618-T728 WeakPolarHBondContact CA-O 3.39Å; N619-T728 CarbonylContact C-O 3.17Å; N619-T728 PolarHBondContact N-O 3.22Å; T728-E731 PolarHBondContact N-OE1 3.32Å; T728-A815 HydrophobicContact CG2-CB 4.17Å
729G88.6Confident92.9Very high6 Ų67 Ų76%0.0624%0.042CC..SBendtrans-158-139.4-177.200000115.8E731 A732G729-E731 WeakPolarHBondContact CA-OE2 3.38Å; G729-E731 PolarHBondContact N-OE1 2.9Å; G729-E731 PolarHBondContact N-OE2 3.45Å; G729-E731 PolarHBondContact O-N 3.14Å; G729-A732 WeakPolarHBondContact O-CB 3.5Å; G729-A732 PolarHBondContact O-N 3.43Å
730S87.2Confident92.9Very high10 Ų1011.1 Ų11.17%0.076%0.058CC..G310 helixtrans-64-22.7-171.566.10000114.7R616 A732 L733R616-S730 PolarHBondContact NH1-OG 3.24Å; S730-A732 PolarHBondContact O-N 3.45Å; S730-L733 WeakPolarHBondContact O-CB 3.43Å; S730-L733 PolarHBondContact O-N 3.45Å
731E88.1Confident92.9Very high17 Ų1711.1 Ų11.18%0.0796%0.058CC..G310 helixtrans-62-22.4178.170.5-71.4168.100112.7Y723 T728 G729 L733 F734 K836Y723-E731 WeakPolarHBondContact CE1-O 3.29Å; Y723-E731 PolarHBondContact OH-O 3.34Å; T728-E731 PolarHBondContact N-OE1 3.32Å; G729-E731 WeakPolarHBondContact CA-OE2 3.38Å; G729-E731 PolarHBondContact N-OE1 2.9Å; G729-E731 PolarHBondContact N-OE2 3.45Å; G729-E731 PolarHBondContact O-N 3.14Å; E731-L733 PolarHBondContact O-N 3.03Å; E731-F734 WeakPolarHBondContact O-CB 3.24Å; E731-F734 PolarHBondContact O-N 3.05Å; E731-F734 VanDerWaalsContact O-N 3.1Å; E731-K836 IonicContact OE1-NZ 3.21Å
732A91.9Very high92.9Very high0 Ų011.2 Ų11.20%06%0.058CC..G310 helixtrans-58.6-28.9171.700000113V623 A626 L724 G729 S730 F734 P736V623-A732 HydrophobicContact CB-CB 4.25Å; V623-A732 HydrophobicContact CG1-CB 4.22Å; V623-A732 HydrophobicContact CG2-CB 4.11Å; A626-A732 HydrophobicContact CB-CB 3.65Å; A626-A732 WeakPolarHBondContact CB-O 3.11Å; L724-A732 HydrophobicContact CD2-CB 4.23Å; G729-A732 WeakPolarHBondContact O-CB 3.5Å; G729-A732 PolarHBondContact O-N 3.43Å; S730-A732 PolarHBondContact O-N 3.45Å; A732-F734 VanDerWaalsContact C-N 3.26Å; A732-F734 PolarHBondContact O-N 3.2Å; A732-P736 WeakPolarHBondContact O-CD 2.94Å
733L93.3Very high92.7Very high40 Ų4015.2 Ų15.221%0.2098%0.076CC..G310 helixtrans-75.9-14179.4-65.9164.4000112.8F608 L622 C625 A626 L629 S730 E731 P736 V737F608-L733 HydrophobicContact CE1-CB 4.03Å; F608-L733 HydrophobicContact CZ-CB 3.82Å; L622-L733 HydrophobicContact CD2-CD1 4.39Å; C625-L733 HydrophobicContact CB-CD2 4.33Å; A626-L733 HydrophobicContact CB-CD2 3.78Å; A626-L733 HydrophobicContact CB-CG 4.14Å; L629-L733 HydrophobicContact CD2-CD2 4.38Å; S730-L733 WeakPolarHBondContact O-CB 3.43Å; S730-L733 PolarHBondContact O-N 3.45Å; E731-L733 PolarHBondContact O-N 3.03Å; L733-P736 WeakPolarHBondContact O-CD 3Å; L733-P736 VanDerWaalsContact O-CG 3.3Å; L733-P736 WeakPolarHBondContact O-CG 3.3Å; L733-V737 VanDerWaalsContact O-CG2 3.27Å; L733-V737 WeakPolarHBondContact O-CG2 3.09Å; L733-V737 PolarHBondContact O-N 3.15Å
734F93.1Very high92.7Very high0 Ų015.5 Ų15.50%08%0.077CC..Hα-helixtrans-68.1-52.8-174.3-177.8-94.7000113.2L605 F608 E731 A732 V737 L738 T798 A799 T803 P840L605-F734 HydrophobicContact CD1-CD2 3.75Å; L605-F734 HydrophobicContact CD1-CE2 3.35Å; L605-F734 HydrophobicContact CD1-CZ 4.03Å; L605-F734 HydrophobicContact CG-CE2 4.12Å; F608-F734 HydrophobicContact CB-CD2 3.84Å; F608-F734 HydrophobicContact CB-CE2 4.21Å; F608-F734 HydrophobicContact CD1-CB 3.83Å; F608-F734 AromaticContact CD1-CD2 3.74Å; F608-F734 HydrophobicContact CD1-CD2 3.74Å; F608-F734 HydrophobicContact CD1-CG 4.28Å; F608-F734 AromaticContact CD2-CD2 3.87Å; F608-F734 HydrophobicContact CD2-CD2 3.87Å; F608-F734 HydrophobicContact CE1-CB 3.64Å; F608-F734 HydrophobicContact CE1-CD2 4.21Å; F608-F734 HydrophobicContact CE1-CG 4.46Å; F608-F734 HydrophobicContact CE2-CD2 4.32Å; F608-F734 HydrophobicContact CG-CB 4.48Å; F608-F734 AromaticContact CG-CD2 3.55Å; F608-F734 HydrophobicContact CG-CD2 3.55Å; F608-F734 HydrophobicContact CG-CE2 4.31Å; F608-F734 HydrophobicContact CG-CG 4.5Å; F608-F734 HydrophobicContact CZ-CB 4.15Å; F608-F734 HydrophobicContact CZ-CD2 4.47Å; E731-F734 WeakPolarHBondContact O-CB 3.24Å; E731-F734 PolarHBondContact O-N 3.05Å; E731-F734 VanDerWaalsContact O-N 3.1Å; A732-F734 VanDerWaalsContact C-N 3.26Å; A732-F734 PolarHBondContact O-N 3.2Å; F734-V737 PolarHBondContact O-N 3.47Å; F734-L738 HydrophobicContact CE1-CB 4.35Å; F734-L738 HydrophobicContact CE1-CD2 3.8Å; F734-L738 HydrophobicContact CZ-CD2 4.35Å; F734-L738 WeakPolarHBondContact O-CB 3.19Å; F734-L738 PolarHBondContact O-N 3.34Å; F734-T798 HydrophobicContact CE2-CG2 4.48Å; F734-T798 HydrophobicContact CZ-CG2 4.37Å; F734-T798 WeakPolarHBondContact CZ-O 3.26Å; F734-A799 HydrophobicContact CE1-CB 4.49Å; F734-T803 HydrophobicContact CD1-CG2 3.49Å; F734-T803 VanDerWaalsContact CD1-CG2 3.49Å; F734-T803 HydrophobicContact CE1-CG2 3.89Å; F734-T803 HydrophobicContact CG-CG2 4.28Å; F734-P840 HydrophobicContact CD1-CG 4.49Å; F734-P840 HydrophobicContact CE1-CB 4.22Å; F734-P840 HydrophobicContact CE1-CG 4.43Å
735P93.6Very high92.6Very high0 Ų015.5 Ų15.50%08%0.077CC..Hα-helixtrans-55.3-43.4178.7-24.333.5000115.9Y723 S739 I843Y723-P735 HydrophobicContact CD1-CG 3.61Å; Y723-P735 HydrophobicContact CD2-CG 3.83Å; Y723-P735 HydrophobicContact CE1-CG 3.67Å; Y723-P735 HydrophobicContact CE2-CG 3.88Å; Y723-P735 HydrophobicContact CG-CG 3.69Å; P735-S739 VanDerWaalsContact O-CB 3.28Å; P735-S739 WeakPolarHBondContact O-CB 3.49Å; P735-S739 PolarHBondContact O-N 3.21Å; P735-S739 PolarHBondContact O-OG 2.86Å; P735-I843 HydrophobicContact CB-CD1 4.22Å
736P94.6Very high92.5Very high3 Ų315.5 Ų15.52%0.0198%0.077CC..Hα-helixtrans-67.2-38.3177.322.1-30.6000113L629 F716 A732 L733 S739 W740L629-P736 HydrophobicContact CD2-CB 4.07Å; L629-P736 HydrophobicContact CD2-CG 4.08Å; L629-P736 HydrophobicContact CG-CB 4.3Å; F716-P736 HydrophobicContact CE2-CB 4.32Å; F716-P736 HydrophobicContact CZ-CB 4.02Å; A732-P736 WeakPolarHBondContact O-CD 2.94Å; L733-P736 WeakPolarHBondContact O-CD 3Å; L733-P736 VanDerWaalsContact O-CG 3.3Å; L733-P736 WeakPolarHBondContact O-CG 3.3Å; P736-S739 PolarHBondContact O-N 3.43Å; P736-W740 PolarHBondContact O-N 3.16Å
737V95.3Very high92.3Very high19 Ų1916.4 Ų16.412%0.1158%0.082CC..Hα-helixtrans-68.2-43.6176.5177.10000111C604 L605 F608 L629 L733 F734 S739 W740 L741C604-V737 HydrophobicContact CB-CG1 3.87Å; L605-V737 HydrophobicContact CB-CG1 4.36Å; L605-V737 HydrophobicContact CD1-CG1 4.05Å; F608-V737 HydrophobicContact CE2-CB 4.22Å; F608-V737 HydrophobicContact CE2-CG1 4.25Å; F608-V737 HydrophobicContact CE2-CG2 4.27Å; F608-V737 HydrophobicContact CZ-CG2 4.32Å; L629-V737 HydrophobicContact CD2-CG2 4.44Å; L733-V737 VanDerWaalsContact O-CG2 3.27Å; L733-V737 WeakPolarHBondContact O-CG2 3.09Å; L733-V737 PolarHBondContact O-N 3.15Å; F734-V737 PolarHBondContact O-N 3.47Å; V737-S739 PolarHBondContact O-N 3.5Å; V737-W740 PolarHBondContact O-N 3.47Å; V737-L741 PolarHBondContact O-N 3.16Å; V737-L741 VanDerWaalsContact O-N 3.1Å
738L95.8Very high92.3Very high0 Ų016.2 Ų16.20%08%0.081CC..Hα-helixtrans-58.7-47174.2178.165.1000111.1L605 F734 W740 L741 M742 A799 P840 I843 V844L605-L738 HydrophobicContact CD1-CB 4.27Å; L605-L738 HydrophobicContact CD2-CD1 4.03Å; F734-L738 HydrophobicContact CE1-CB 4.35Å; F734-L738 HydrophobicContact CE1-CD2 3.8Å; F734-L738 HydrophobicContact CZ-CD2 4.35Å; F734-L738 WeakPolarHBondContact O-CB 3.19Å; F734-L738 PolarHBondContact O-N 3.34Å; L738-W740 VanDerWaalsContact C-N 3.3Å; L738-W740 PolarHBondContact O-N 3.3Å; L738-L741 PolarHBondContact O-N 2.82Å; L738-L741 VanDerWaalsContact O-N 3.16Å; L738-M742 HydrophobicContact CD1-CE 3.98Å; L738-M742 HydrophobicContact CD1-CG 4.28Å; L738-M742 HydrophobicContact CG-CG 4.29Å; L738-M742 WeakPolarHBondContact O-CB 3.28Å; L738-M742 VanDerWaalsContact O-CG 3.29Å; L738-M742 WeakPolarHBondContact O-CG 3.37Å; L738-M742 PolarHBondContact O-N 3.23Å; L738-A799 HydrophobicContact CD2-CB 4.35Å; L738-P840 HydrophobicContact CD2-CB 3.95Å; L738-I843 HydrophobicContact CD2-CG2 4.46Å; L738-I843 HydrophobicContact CG-CG2 4.47Å; L738-V844 HydrophobicContact CD1-CG2 4.2Å; L738-V844 HydrophobicContact CD2-CG2 4.04Å; L738-V844 HydrophobicContact CG-CG2 4.47Å
739S94.7Very high92.4Very high20 Ų2015.3 Ų15.314%0.148%0.075CC..Hα-helixtrans-62.4-36.7-179.9-610000112.4F716 P735 P736 V737 M742 F743F716-S739 WeakPolarHBondContact CD2-OG 3.26Å; F716-S739 VanDerWaalsContact CE2-OG 3.3Å; F716-S739 WeakPolarHBondContact CE2-OG 3.49Å; P735-S739 VanDerWaalsContact O-CB 3.28Å; P735-S739 WeakPolarHBondContact O-CB 3.49Å; P735-S739 PolarHBondContact O-N 3.21Å; P735-S739 PolarHBondContact O-OG 2.86Å; P736-S739 PolarHBondContact O-N 3.43Å; V737-S739 PolarHBondContact O-N 3.5Å; S739-M742 PolarHBondContact O-N 3.1Å; S739-F743 WeakPolarHBondContact O-CB 3.48Å; S739-F743 PolarHBondContact O-N 3.25Å
740W94.3Very high92.2Very high90 Ų9015.8 Ų15.834%0.3418%0.076SC..Hα-helixtrans-62.2-49.4172.3172.135.2000111.5S597 L600 C604 P736 V737 L738 M742 F743 V744S597-W740 PolarHBondContact OG-NE1 3.2Å; S597-W740 VanDerWaalsContact OG-NE1 3.14Å; L600-W740 HydrophobicContact CB-CH2 3.87Å; L600-W740 HydrophobicContact CB-CZ2 4.42Å; C604-W740 HydrophobicContact CB-CZ3 4.44Å; P736-W740 PolarHBondContact O-N 3.16Å; V737-W740 PolarHBondContact O-N 3.47Å; L738-W740 VanDerWaalsContact C-N 3.3Å; L738-W740 PolarHBondContact O-N 3.3Å; W740-M742 VanDerWaalsContact C-N 3.33Å; W740-M742 PolarHBondContact O-N 3.44Å; W740-F743 WeakPolarHBondContact O-CB 3.12Å; W740-F743 PolarHBondContact O-N 3.44Å; W740-V744 WeakPolarHBondContact O-CG2 3.3Å; W740-V744 PolarHBondContact O-N 3.19Å
741L95.8Very high92.1Very high0 Ų017.3 Ų17.30%08%0.082CC..Hα-helixtrans-61.7-41.6177.8-178.458.8000111.9W598 L605 V737 L738 F743 V744 W745 F795W598-L741 HydrophobicContact CD2-CD1 4.19Å; W598-L741 HydrophobicContact CE3-CD1 3.66Å; W598-L741 HydrophobicContact CZ3-CD1 3.87Å; L605-L741 HydrophobicContact CB-CD2 4.47Å; L605-L741 HydrophobicContact CD2-CD2 3.69Å; V737-L741 PolarHBondContact O-N 3.16Å; V737-L741 VanDerWaalsContact O-N 3.1Å; L738-L741 PolarHBondContact O-N 2.82Å; L738-L741 VanDerWaalsContact O-N 3.16Å; L741-F743 PolarHBondContact O-N 3.37Å; L741-V744 CarbonylContact O-C 3.53Å; L741-V744 PolarHBondContact O-N 2.86Å; L741-V744 VanDerWaalsContact O-N 3.16Å; L741-W745 PolarHBondContact O-N 3.38Å; L741-F795 HydrophobicContact CD2-CD1 4.49Å; L741-F795 HydrophobicContact CD2-CE1 3.56Å; L741-F795 HydrophobicContact CD2-CZ 3.94Å; L741-F795 HydrophobicContact CG-CE1 4.41Å; L741-F795 HydrophobicContact CG-CZ 4.39Å
742M95.4Very high91.9Very high2 Ų216.7 Ų16.71%0.018%0.08CC..Hα-helixtrans-61.2-42.3176.5-74-4994.800112.3L738 S739 W740 V744 W745 I746 F795 I843 V844 T847L738-M742 HydrophobicContact CD1-CE 3.98Å; L738-M742 HydrophobicContact CD1-CG 4.28Å; L738-M742 HydrophobicContact CG-CG 4.29Å; L738-M742 WeakPolarHBondContact O-CB 3.28Å; L738-M742 VanDerWaalsContact O-CG 3.29Å; L738-M742 WeakPolarHBondContact O-CG 3.37Å; L738-M742 PolarHBondContact O-N 3.23Å; S739-M742 PolarHBondContact O-N 3.1Å; W740-M742 VanDerWaalsContact C-N 3.33Å; W740-M742 PolarHBondContact O-N 3.44Å; M742-V744 VanDerWaalsContact C-N 3.32Å; M742-V744 PolarHBondContact O-N 3.29Å; M742-W745 HydrophobicContact CE-CE3 4.09Å; M742-W745 WeakPolarHBondContact O-CB 3.42Å; M742-W745 PolarHBondContact O-N 2.8Å; M742-W745 HydrophobicContact SD-CE3 3.71Å; M742-W745 HydrophobicContact SD-CZ3 4.11Å; M742-I746 PolarHBondContact O-N 3.02Å; M742-I746 VanDerWaalsContact O-N 3.15Å; M742-F795 HydrophobicContact CE-CB 4.24Å; M742-F795 HydrophobicContact CE-CD1 3.77Å; M742-F795 HydrophobicContact CE-CD2 3.58Å; M742-F795 HydrophobicContact CE-CE1 3.95Å; M742-F795 HydrophobicContact CE-CE2 3.77Å; M742-F795 HydrophobicContact CE-CG 3.6Å; M742-F795 HydrophobicContact CE-CZ 3.95Å; M742-F795 HydrophobicContact SD-CD2 4.4Å; M742-I843 HydrophobicContact CG-CG2 4.12Å; M742-V844 HydrophobicContact SD-CG1 4.48Å; M742-V844 HydrophobicContact SD-CG2 4.16Å; M742-T847 HydrophobicContact CB-CG2 3.76Å; M742-T847 WeakPolarHBondContact CB-OG1 3.47Å; M742-T847 HydrophobicContact CG-CG2 4.17Å; M742-T847 WeakPolarHBondContact O-CG2 3.44Å; M742-T847 HydrophobicContact SD-CG2 3.81Å
743F92.2Very high91.4Very high84 Ų8417.5 Ų17.537%0.3688%0.084SC..Hα-helixtrans-60.7-42.5173.6176.7-94.4000111.7Y637 F709 S739 W740 L741 W745 N747Y637-F743 HydrophobicContact CD2-CE2 4.38Å; Y637-F743 HydrophobicContact CE2-CE2 4.3Å; F709-F743 AromaticContact CD1-CD2 3.86Å; F709-F743 HydrophobicContact CD1-CD2 3.86Å; F709-F743 AromaticContact CD1-CE2 3.54Å; F709-F743 HydrophobicContact CD1-CE2 3.54Å; F709-F743 AromaticContact CE1-CD2 3.61Å; F709-F743 HydrophobicContact CE1-CD2 3.61Å; F709-F743 AromaticContact CE1-CE2 3.31Å; F709-F743 HydrophobicContact CE1-CE2 3.31Å; F709-F743 HydrophobicContact CE1-CZ 4.31Å; F709-F743 HydrophobicContact CG-CE2 4.36Å; F709-F743 AromaticContact CZ-CE2 3.95Å; F709-F743 HydrophobicContact CZ-CE2 3.95Å; S739-F743 WeakPolarHBondContact O-CB 3.48Å; S739-F743 PolarHBondContact O-N 3.25Å; W740-F743 WeakPolarHBondContact O-CB 3.12Å; W740-F743 PolarHBondContact O-N 3.44Å; L741-F743 PolarHBondContact O-N 3.37Å; F743-W745 VanDerWaalsContact C-N 3.33Å; F743-N747 WeakPolarHBondContact CZ-ND2 3.5Å; F743-N747 PolarHBondContact O-N 3.21Å; F743-N747 PolarHBondContact O-ND2 2.71Å
744V92.9Very high90.6Very high7 Ų718.3 Ų18.34%0.0429%0.088CC..Hα-helixtrans-65.7-38.6176.1179.30000111S597 W598 W740 L741 M742 I746 N747 I748S597-V744 VanDerWaalsContact OG-CG2 3.27Å; S597-V744 WeakPolarHBondContact OG-CG2 3.42Å; W598-V744 HydrophobicContact CB-CG1 3.78Å; W598-V744 HydrophobicContact CE3-CG1 4.26Å; W740-V744 WeakPolarHBondContact O-CG2 3.3Å; W740-V744 PolarHBondContact O-N 3.19Å; L741-V744 CarbonylContact O-C 3.53Å; L741-V744 PolarHBondContact O-N 2.86Å; L741-V744 VanDerWaalsContact O-N 3.16Å; M742-V744 VanDerWaalsContact C-N 3.32Å; M742-V744 PolarHBondContact O-N 3.29Å; V744-I746 PolarHBondContact O-N 2.8Å; V744-N747 PolarHBondContact O-N 2.77Å; V744-N747 VanDerWaalsContact O-N 3.17Å; V744-I748 WeakPolarHBondContact O-CG2 3.11Å; V744-I748 PolarHBondContact O-N 3.32Å
745W94.3Very high89.7Confident0 Ų019.9 Ų19.90%010%0.101CC..Hα-helixtrans-57.1-49.3177.5-169.716.1000112W598 L741 M742 F743 N747 I748 E749 F791 F792 F795 T847 F848 I851W598-W745 HydrophobicContact CH2-CG 4.33Å; W598-W745 HydrophobicContact CZ3-CB 3.72Å; W598-W745 AromaticContact CZ3-CD1 3.87Å; W598-W745 AromaticContact CZ3-CG 3.87Å; W598-W745 HydrophobicContact CZ3-CG 3.87Å; L741-W745 PolarHBondContact O-N 3.38Å; M742-W745 HydrophobicContact CE-CE3 4.09Å; M742-W745 WeakPolarHBondContact O-CB 3.42Å; M742-W745 PolarHBondContact O-N 2.8Å; M742-W745 HydrophobicContact SD-CE3 3.71Å; M742-W745 HydrophobicContact SD-CZ3 4.11Å; F743-W745 VanDerWaalsContact C-N 3.33Å; W745-N747 VanDerWaalsContact C-N 3.27Å; W745-N747 PolarHBondContact O-N 2.89Å; W745-I748 WeakPolarHBondContact O-CG2 3.33Å; W745-I748 PolarHBondContact O-N 3.25Å; W745-E749 PolarHBondContact NE1-OE1 3.15Å; W745-E749 VanDerWaalsContact NE1-OE1 3.14Å; W745-E749 WeakPolarHBondContact O-CB 3.4Å; W745-E749 VanDerWaalsContact O-CG 3.3Å; W745-E749 WeakPolarHBondContact O-CG 3.42Å; W745-E749 PolarHBondContact O-N 3.09Å; W745-F791 AromaticContact CE2-CD2 3.99Å; W745-F791 HydrophobicContact CH2-CB 4.01Å; W745-F791 HydrophobicContact CZ2-CB 3.5Å; W745-F791 HydrophobicContact CZ2-CD2 4.25Å; W745-F791 HydrophobicContact CZ2-CG 4.38Å; W745-F791 AromaticContact NE1-CD2 3.64Å; W745-F792 HydrophobicContact CH2-CB 4.06Å; W745-F795 HydrophobicContact CD2-CD2 4.42Å; W745-F795 HydrophobicContact CD2-CE2 4.05Å; W745-F795 AromaticContact CE3-CD2 3.87Å; W745-F795 HydrophobicContact CE3-CD2 3.87Å; W745-F795 AromaticContact CE3-CE2 3.91Å; W745-F795 HydrophobicContact CE3-CE2 3.91Å; W745-F795 HydrophobicContact CH2-CD2 4.21Å; W745-F795 AromaticContact CZ3-CD2 3.75Å; W745-F795 HydrophobicContact CZ3-CD2 3.75Å; W745-F795 HydrophobicContact CZ3-CE2 4.2Å; W745-T847 HydrophobicContact CE3-CG2 3.73Å; W745-T847 HydrophobicContact CZ3-CG2 4.24Å; W745-F848 HydrophobicContact CH2-CD2 4.15Å; W745-I851 HydrophobicContact CD2-CD1 3.38Å; W745-I851 HydrophobicContact CE3-CD1 3.68Å; W745-I851 HydrophobicContact CG-CD1 3.9Å; W745-I851 HydrophobicContact CH2-CD1 3.84Å; W745-I851 HydrophobicContact CZ2-CD1 3.55Å; W745-I851 HydrophobicContact CZ3-CD1 3.9Å
746I91.7Very high88.6Confident2 Ų224.8 Ų24.81%0.0112%0.124CC..Hα-helixtrans-56.1-45.3176.6-66.3159.5000110.8F709 L712 M742 V744 Q750 L764 T847 T850 I851F709-I746 HydrophobicContact CE1-CG2 4.47Å; F709-I746 HydrophobicContact CZ-CG2 4.45Å; L712-I746 HydrophobicContact CD1-CD1 3.89Å; M742-I746 PolarHBondContact O-N 3.02Å; M742-I746 VanDerWaalsContact O-N 3.15Å; V744-I746 PolarHBondContact O-N 2.8Å; I746-Q750 PolarHBondContact O-N 3.07Å; I746-L764 HydrophobicContact CG2-CD1 3.97Å; I746-L764 HydrophobicContact CG2-CD2 4.23Å; I746-T847 HydrophobicContact CD1-CG2 3.82Å; I746-T847 HydrophobicContact CG1-CG2 3.69Å; I746-T850 HydrophobicContact CD1-CG2 3.8Å; I746-T850 HydrophobicContact CG1-CG2 4.01Å; I746-T850 HydrophobicContact CG2-CG2 3.92Å; I746-I851 HydrophobicContact CG1-CG1 4.18Å
747N88.8Confident87.2Confident20 Ų2027.7 Ų27.711%0.10715%0.154CC..Hα-helixtrans-73.8-33.2-175.2-78.1-83.5000113.3R594 F743 V744 W745 E751R594-N747 PolarHBondContact NH1-O 2.75Å; F743-N747 WeakPolarHBondContact CZ-ND2 3.5Å; F743-N747 PolarHBondContact O-N 3.21Å; F743-N747 PolarHBondContact O-ND2 2.71Å; V744-N747 PolarHBondContact O-N 2.77Å; V744-N747 VanDerWaalsContact O-N 3.17Å; W745-N747 VanDerWaalsContact C-N 3.27Å; W745-N747 PolarHBondContact O-N 2.89Å; N747-E751 PolarHBondContact O-N 2.88Å
748I89.6Confident85.7Confident0 Ų028.2 Ų28.20%016%0.157CC..Hα-helixtrans-78.9-31.8179.2-158.2165.6000111.7W581 P582 W598 V744 W745 Q750 E751 A752W581-I748 HydrophobicContact CH2-CG2 4.1Å; W581-I748 HydrophobicContact CZ3-CD1 4.48Å; W581-I748 HydrophobicContact CZ3-CG1 4.49Å; W581-I748 HydrophobicContact CZ3-CG2 3.66Å; P582-I748 HydrophobicContact CB-CD1 4.05Å; P582-I748 HydrophobicContact CG-CD1 3.54Å; W598-I748 HydrophobicContact CB-CD1 4.04Å; W598-I748 HydrophobicContact CE3-CG2 4.21Å; W598-I748 HydrophobicContact CG-CD1 4.26Å; V744-I748 WeakPolarHBondContact O-CG2 3.11Å; V744-I748 PolarHBondContact O-N 3.32Å; W745-I748 WeakPolarHBondContact O-CG2 3.33Å; W745-I748 PolarHBondContact O-N 3.25Å; I748-Q750 VanDerWaalsContact C-N 3.3Å; I748-Q750 PolarHBondContact O-N 3.34Å; I748-E751 PolarHBondContact O-N 3.31Å; I748-A752 PolarHBondContact O-N 2.93Å
749E89.4Confident83.6Confident1 Ų133.7 Ų33.71%0.00520%0.195CC..Hα-helixtrans-61.6-37.7172.6-75.5-64.4158.900112.4W745 A752 L753 R787 R788 I851W745-E749 PolarHBondContact NE1-OE1 3.15Å; W745-E749 VanDerWaalsContact NE1-OE1 3.14Å; W745-E749 WeakPolarHBondContact O-CB 3.4Å; W745-E749 VanDerWaalsContact O-CG 3.3Å; W745-E749 WeakPolarHBondContact O-CG 3.42Å; W745-E749 PolarHBondContact O-N 3.09Å; E749-A752 PolarHBondContact O-N 3.44Å; E749-L753 WeakPolarHBondContact O-CG 3.49Å; E749-L753 PolarHBondContact O-N 2.93Å; E749-R787 IonicContact OE1-CZ 3.19Å; E749-R787 IonicContact OE1-NH1 2.95Å; E749-R787 PolarHBondContact OE1-NH1 3.14Å; E749-R787 IonicContact OE1-NH2 2.76Å; E749-R787 PolarHBondContact OE1-NH2 3.47Å; E749-R787 IonicContact OE2-CZ 2.76Å; E749-R787 IonicContact OE2-NH2 3.34Å; E749-R787 PolarHBondContact OE2-NH2 3.09Å; E749-R788 IonicContact OE2-CZ 3.78Å; E749-R788 VanDerWaalsContact OE2-CZ 3.29Å; E749-R788 IonicContact OE2-NE 2.71Å; E749-R788 PolarHBondContact OE2-NE 3.22Å; E749-R788 IonicContact OE2-NH2 3.62Å; E749-R788 PolarHBondContact OE2-NH2 3.49Å; E749-I851 HydrophobicContact CG-CD1 4.28Å
750Q84.3Confident81.9Confident17 Ų1739.6 Ų39.68%0.07921%0.214CC..Hα-helixtrans-64.5-42.4173.6-73.2-63.1-48.600112.3I746 I748 A752 L753 L754 L764 A854I746-Q750 PolarHBondContact O-N 3.07Å; I748-Q750 VanDerWaalsContact C-N 3.3Å; I748-Q750 PolarHBondContact O-N 3.34Å; Q750-A752 VanDerWaalsContact C-N 3.29Å; Q750-A752 PolarHBondContact O-N 3.28Å; Q750-L753 PolarHBondContact O-N 3.2Å; Q750-L754 WeakPolarHBondContact O-CG 3.22Å; Q750-L754 PolarHBondContact O-N 2.98Å; Q750-L754 VanDerWaalsContact O-N 3.14Å; Q750-L764 HydrophobicContact CG-CD1 3.8Å; Q750-L764 HydrophobicContact CG-CD2 3.76Å; Q750-L764 HydrophobicContact CG-CG 3.89Å; Q750-A854 VanDerWaalsContact NE2-CB 3.28Å; Q750-A854 PolarHBondContact NE2-O 3.44Å
751E85Confident80.1Confident42 Ų4244.1 Ų44.120%0.19623%0.231CC..Hα-helixtrans-65-35.3175-61.8-58.1152.200111.7A591 R594 N747 I748 L754 A755A591-E751 HydrophobicContact CB-CB 4.22Å; A591-E751 HydrophobicContact CB-CG 3.92Å; R594-E751 IonicContact CZ-OE1 3.29Å; R594-E751 IonicContact NE-OE1 3.36Å; R594-E751 IonicContact NH1-OE1 3.98Å; R594-E751 PolarHBondContact NH1-OE1 2.85Å; R594-E751 IonicContact NH2-OE1 2.69Å; R594-E751 PolarHBondContact NH2-OE1 3.34Å; N747-E751 PolarHBondContact O-N 2.88Å; I748-E751 PolarHBondContact O-N 3.31Å; E751-L754 PolarHBondContact O-N 3.42Å; E751-A755 WeakPolarHBondContact O-CB 3.46Å; E751-A755 PolarHBondContact O-N 3.18Å
752A85.1Confident78.5Confident4 Ų448 Ų483%0.03325%0.25CC..Hα-helixtrans-64.1-40.9175.800000112.5W581 L587 I748 E749 Q750 A755 Q756W581-A752 HydrophobicContact CZ2-CB 4.44Å; L587-A752 HydrophobicContact CD1-CB 3.87Å; L587-A752 HydrophobicContact CD2-CB 4.24Å; I748-A752 PolarHBondContact O-N 2.93Å; E749-A752 PolarHBondContact O-N 3.44Å; Q750-A752 VanDerWaalsContact C-N 3.29Å; Q750-A752 PolarHBondContact O-N 3.28Å; A752-A755 PolarHBondContact O-N 3.31Å; A752-Q756 WeakPolarHBondContact O-CG 3.44Å; A752-Q756 PolarHBondContact O-N 2.66Å
753L81.2Confident77.3Confident16 Ų1653.1 Ų53.18%0.08427%0.273CS..Hα-helixtrans-62.6-44.3173.9-72.9174.7000112.2E749 Q750 A755 Q756 D758 T855E749-L753 WeakPolarHBondContact O-CG 3.49Å; E749-L753 PolarHBondContact O-N 2.93Å; Q750-L753 PolarHBondContact O-N 3.2Å; L753-A755 VanDerWaalsContact C-N 3.32Å; L753-A755 PolarHBondContact O-N 3.16Å; L753-Q756 PolarHBondContact O-N 2.87Å; L753-D758 PolarHBondContact O-N 3.2Å; L753-T855 HydrophobicContact CD1-CG2 3.57Å; L753-T855 HydrophobicContact CG-CG2 4.44Å
754L76.5Confident76.4Confident58 Ų5849.9 Ų49.930%0.30426%0.26SS..Hα-helixtrans-62.5-41.2177.2-68.1172.5000111.6Q750 E751 Q756 G757 R761Q750-L754 WeakPolarHBondContact O-CG 3.22Å; Q750-L754 PolarHBondContact O-N 2.98Å; Q750-L754 VanDerWaalsContact O-N 3.14Å; E751-L754 PolarHBondContact O-N 3.42Å; L754-Q756 PolarHBondContact O-N 3.06Å; L754-G757 PolarHBondContact O-N 2.87Å; L754-G757 VanDerWaalsContact O-N 3.13Å; L754-R761 HydrophobicContact CD2-CB 3.95Å; L754-R761 HydrophobicContact CD2-CG 4.13Å
755A73.9Confident75.3Confident33 Ų3350.9 Ų50.927%0.27327%0.267SS..Hα-helixtrans-62.9-22.2178.800000113.6L587 K590 E751 A752 L753L587-A755 HydrophobicContact CD2-CB 3.76Å; K590-A755 HydrophobicContact CD-CB 3.8Å; K590-A755 PolarHBondContact NZ-O 3.28Å; E751-A755 WeakPolarHBondContact O-CB 3.46Å; E751-A755 PolarHBondContact O-N 3.18Å; A752-A755 PolarHBondContact O-N 3.31Å; L753-A755 VanDerWaalsContact C-N 3.32Å; L753-A755 PolarHBondContact O-N 3.16Å
756Q71Confident74.2Confident102 Ų10255 Ų5548%0.47729%0.293SS..THydrogen-bonded Turntrans-93.36.4178.4-69.4179.5-000114A752 L753 L754 D784A752-Q756 WeakPolarHBondContact O-CG 3.44Å; A752-Q756 PolarHBondContact O-N 2.66Å; L753-Q756 PolarHBondContact O-N 2.87Å; L754-Q756 PolarHBondContact O-N 3.06Å; Q756-D784 PolarHBondContact NE2-OD2 3.33Å
757G64.1Low73.6Confident64 Ų6455.3 Ų55.366%0.6629%0.294SS*.THydrogen-bonded Turntrans8014.5175.700000115L754 S759L754-G757 PolarHBondContact O-N 2.87Å; L754-G757 VanDerWaalsContact O-N 3.13Å; G757-S759 PolarHBondContact O-N 3.23Å
758D63Low73.3Confident30 Ų3056.8 Ų56.816%0.1630%0.302CS..  trans-78.2101.7171.6-144.5-35.4000108.7L753 R760 K782L753-D758 PolarHBondContact O-N 3.2Å; D758-R760 PolarHBondContact O-N 3.1Å; D758-R760 VanDerWaalsContact O-N 3.14Å; D758-R760 IonicContact OD1-NE 3.93Å; D758-R760 PolarHBondContact OD1-NE 3.2Å; D758-K782 IonicContact OD2-NZ 3.79Å; D758-K782 PolarHBondContact OD2-NZ 3.48Å
759S52.6Low73Confident116 Ų11657.5 Ų57.581%0.81131%0.305SS*.  trans-73.22.9-175.437.40000114.2G757 R761G757-S759 PolarHBondContact O-N 3.23Å; S759-R761 PolarHBondContact O-N 3.35Å
760R58.5Low72.4Confident143 Ų14360.3 Ų60.354%0.5433%0.325SS..  trans-78.954.7176.9-72.8-176.3-96.6-162.8-20.1112.9D758 Q762D758-R760 PolarHBondContact O-N 3.1Å; D758-R760 VanDerWaalsContact O-N 3.14Å; D758-R760 IonicContact OD1-NE 3.93Å; D758-R760 PolarHBondContact OD1-NE 3.2Å; R760-Q762 PolarHBondContact O-N 3.31Å; R760-Q762 VanDerWaalsContact O-N 3.12Å
761R56.5Low71.9Confident186 Ų18662.4 Ų62.470%0.70235%0.345SS*.  trans-68.3108.8174.4-171.8177.4177.1-176.4-1.7109.8L754 S759L754-R761 HydrophobicContact CD2-CB 3.95Å; L754-R761 HydrophobicContact CD2-CG 4.13Å; S759-R761 PolarHBondContact O-N 3.35Å
762Q62.8Low70.8Confident82 Ų8268.2 Ų68.238%0.38338%0.378SS..  trans-98.9128.8166.2-144.2169.3-3.500108.2R760 L764 I767R760-Q762 PolarHBondContact O-N 3.31Å; R760-Q762 VanDerWaalsContact O-N 3.12Å; Q762-L764 PolarHBondContact O-N 3.35Å; Q762-L764 VanDerWaalsContact O-N 3.14Å; Q762-I767 HydrophobicContact CG-CG1 4.43Å
763E69.8Low69.7Low108 Ų10871.5 Ų71.551%0.50539%0.394SS..  trans-68.2114.7177.4-155.3-169.1152.300108.4S765 T766E763-S765 VanDerWaalsContact CG-OG 3.22Å; E763-S765 WeakPolarHBondContact CG-OG 3.33Å; E763-S765 PolarHBondContact O-N 2.89Å; E763-S765 PolarHBondContact OE1-OG 2.85Å; E763-T766 HydrophobicContact CB-CG2 4.02Å; E763-T766 WeakPolarHBondContact O-CB 3.49Å; E763-T766 PolarHBondContact O-N 3.29Å; E763-T766 PolarHBondContact O-OG1 2.95Å
764L74.6Confident68.6Low16 Ų1674.4 Ų74.48%0.08441%0.409CS..G310 helixtrans-52.3-30.5-175.7-72174.5000113.4L708 F709 I746 Q750 Q762 T766 I767 A854L708-L764 HydrophobicContact CD1-CD2 4.27Å; F709-L764 HydrophobicContact CE2-CB 3.62Å; F709-L764 HydrophobicContact CE2-CD1 4.19Å; F709-L764 HydrophobicContact CZ-CB 4.08Å; F709-L764 HydrophobicContact CZ-CD1 3.83Å; I746-L764 HydrophobicContact CG2-CD1 3.97Å; I746-L764 HydrophobicContact CG2-CD2 4.23Å; Q750-L764 HydrophobicContact CG-CD1 3.8Å; Q750-L764 HydrophobicContact CG-CD2 3.76Å; Q750-L764 HydrophobicContact CG-CG 3.89Å; Q762-L764 PolarHBondContact O-N 3.35Å; Q762-L764 VanDerWaalsContact O-N 3.14Å; L764-T766 PolarHBondContact O-N 2.92Å; L764-I767 HydrophobicContact CD2-CD1 3.94Å; L764-I767 PolarHBondContact O-N 3.24Å; L764-A854 HydrophobicContact CD2-CB 3.81Å
765S67.8Low67.8Low29 Ų2978.4 Ų78.420%0.20343%0.43CS..G310 helixtrans-65-21.9176.955.50000114E763E763-S765 VanDerWaalsContact CG-OG 3.22Å; E763-S765 WeakPolarHBondContact CG-OG 3.33Å; E763-S765 PolarHBondContact O-N 2.89Å; E763-S765 PolarHBondContact OE1-OG 2.85Å
766T71.8Confident67Low87 Ų8782.4 Ų82.453%0.53445%0.451SS..G310 helixtrans-95.6-8.6-178.7660000113.5E763 L764E763-T766 HydrophobicContact CB-CG2 4.02Å; E763-T766 WeakPolarHBondContact O-CB 3.49Å; E763-T766 PolarHBondContact O-N 3.29Å; E763-T766 PolarHBondContact O-OG1 2.95Å; L764-T766 PolarHBondContact O-N 2.92Å
767I80.6Confident66.6Low8 Ų882.9 Ų82.94%0.04145%0.451CS..  trans-76.2129.5-179-58.8179000109.8L708 Q762 L764 V853 A854L708-I767 HydrophobicContact CB-CB 4.35Å; L708-I767 HydrophobicContact CD1-CB 3.88Å; L708-I767 HydrophobicContact CD1-CD1 4.14Å; L708-I767 HydrophobicContact CD1-CG2 3.98Å; L708-I767 PolarHBondContact N-O 2.78Å; Q762-I767 HydrophobicContact CG-CG1 4.43Å; L764-I767 HydrophobicContact CD2-CD1 3.94Å; L764-I767 PolarHBondContact O-N 3.24Å; I767-V853 HydrophobicContact CG2-CG1 3.7Å; I767-A854 HydrophobicContact CD1-CB 4.1Å
768D81.9Confident67.1Low51 Ų5183 Ų8327%0.27344%0.436SS..BIsolated β-bridgetrans-115.4125175.1-166.5-37.4000109.3T706 S770 A771T706-D768 WeakPolarHBondContact CB-OD1 3.35Å; T706-D768 VanDerWaalsContact OG1-CG 3.31Å; T706-D768 PolarHBondContact OG1-OD1 3.38Å; T706-D768 PolarHBondContact OG1-OD2 3.14Å; D768-S770 VanDerWaalsContact CG-OG 3.27Å; D768-S770 PolarHBondContact O-N 3.18Å; D768-S770 WeakPolarHBondContact OD1-CB 3.42Å; D768-S770 PolarHBondContact OD1-N 2.79Å; D768-S770 PolarHBondContact OD1-OG 3.07Å; D768-A771 HydrophobicContact CB-CB 4.32Å; D768-A771 WeakPolarHBondContact O-CB 3.46Å; D768-A771 PolarHBondContact O-N 2.83Å
769F82.1Confident68Low15 Ų1582.8 Ų82.87%0.06643%0.433CS..THydrogen-bonded Turntrans-63.4-25.8178.4-77-70.3000113.2T706 L708 R711 L712 A771 E849 T850 V853 T918T706-F769 WeakPolarHBondContact O-CD2 3.39Å; T706-F769 PolarHBondContact O-N 3.27Å; L708-F769 HydrophobicContact CB-CE2 4.28Å; L708-F769 HydrophobicContact CG-CE2 4.26Å; L708-F769 HydrophobicContact CG-CZ 4.26Å; R711-F769 HydrophobicContact CB-CD2 4.08Å; R711-F769 HydrophobicContact CB-CE2 4.12Å; R711-F769 HydrophobicContact CG-CD2 3.93Å; R711-F769 HydrophobicContact CG-CE2 4.01Å; L712-F769 HydrophobicContact CD2-CZ 4.45Å; L712-F769 HydrophobicContact CG-CE2 4.47Å; F769-A771 VanDerWaalsContact C-N 3.31Å; F769-E849 HydrophobicContact CE1-CG 4.41Å; F769-T850 WeakPolarHBondContact CZ-OG1 3.31Å; F769-V853 HydrophobicContact CD1-CG2 4.42Å; F769-V853 HydrophobicContact CE1-CG2 4.5Å; F769-T918 VanDerWaalsContact CB-O 3.29Å; F769-T918 WeakPolarHBondContact CB-O 3.5Å; F769-T918 HydrophobicContact CE1-CG2 4.3Å; F769-T918 HydrophobicContact CE2-CG2 4.33Å; F769-T918 HydrophobicContact CZ-CG2 4.17Å
770S77.8Confident69.3Low60 Ų6081.9 Ų81.942%0.4242%0.416SS..THydrogen-bonded Turntrans-79.9-13.1179.669.20000113.3T706 D768 N772 S919T706-S770 PolarHBondContact OG1-OG 2.74Å; D768-S770 VanDerWaalsContact CG-OG 3.27Å; D768-S770 PolarHBondContact O-N 3.18Å; D768-S770 WeakPolarHBondContact OD1-CB 3.42Å; D768-S770 PolarHBondContact OD1-N 2.79Å; D768-S770 PolarHBondContact OD1-OG 3.07Å; S770-N772 PolarHBondContact O-N 3.09Å; S770-S919 WeakPolarHBondContact CB-O 3.48Å
771A74.4Confident70.4Confident60 Ų6076.4 Ų76.450%0.49640%0.397SS..SBendtrans-72.6122.9178.200000109.9D768 F769 I773D768-A771 HydrophobicContact CB-CB 4.32Å; D768-A771 WeakPolarHBondContact O-CB 3.46Å; D768-A771 PolarHBondContact O-N 2.83Å; F769-A771 VanDerWaalsContact C-N 3.31Å; A771-I773 PolarHBondContact O-N 3.09Å; A771-I773 VanDerWaalsContact O-N 3.12Å
772N60Low71.6Confident165 Ų16571.7 Ų71.788%0.88238%0.382SS*.PPolyproline II helixtrans-59.7119174.3-77.7-23.1000109.6S770 D774S770-N772 PolarHBondContact O-N 3.09Å; N772-D774 PolarHBondContact O-N 3.25Å; N772-D774 VanDerWaalsContact O-N 3.16Å
773I63Low72.5Confident72 Ų7270.5 Ų70.537%0.36938%0.378SS..PPolyproline II helixtrans-65.3117.1171.2-57.9174.7000107.2A771 I775 I778 V853A771-I773 PolarHBondContact O-N 3.09Å; A771-I773 VanDerWaalsContact O-N 3.12Å; I773-I775 PolarHBondContact O-N 3.16Å; I773-I778 HydrophobicContact CG2-CG1 4.34Å; I773-V853 HydrophobicContact CD1-CB 4.44Å; I773-V853 HydrophobicContact CD1-CG1 4.3Å; I773-V853 HydrophobicContact CD1-CG2 4.11Å
774D58.4Low73.1Confident77 Ų7766.2 Ų66.241%0.41236%0.358SS..PPolyproline II helixtrans-59122.8173.7-171.4-17.7000109.4N772 T776 K777N772-D774 PolarHBondContact O-N 3.25Å; N772-D774 VanDerWaalsContact O-N 3.16Å; D774-T776 PolarHBondContact O-N 3.12Å; D774-T776 VanDerWaalsContact O-N 3.09Å; D774-T776 WeakPolarHBondContact OD1-CB 3.46Å; D774-T776 PolarHBondContact OD1-N 3.02Å; D774-T776 VanDerWaalsContact OD1-N 3.09Å; D774-T776 PolarHBondContact OD1-OG1 3.22Å; D774-T776 PolarHBondContact OD2-OG1 2.6Å; D774-T776 VanDerWaalsContact OD2-OG1 3.07Å; D774-K777 HydrophobicContact CB-CB 4.48Å; D774-K777 HydrophobicContact CB-CD 3.99Å; D774-K777 HydrophobicContact CB-CG 4.03Å; D774-K777 WeakPolarHBondContact O-CB 3.49Å; D774-K777 PolarHBondContact O-N 2.98Å
775I60.1Low73.7Confident143 Ų14365.5 Ų65.573%0.73335%0.354SS*.G310 helixtrans-57.2-29-177.7-60.8173.3000110.4I773 K777 I778I773-I775 PolarHBondContact O-N 3.16Å; I775-K777 PolarHBondContact O-N 3.38Å; I775-I778 PolarHBondContact O-N 3.46Å
776T55.3Low74.7Confident116 Ų11666.5 Ų66.571%0.71236%0.357SS*.G310 helixtrans-69.9-17.8177.665.60000113.8D774D774-T776 PolarHBondContact O-N 3.12Å; D774-T776 VanDerWaalsContact O-N 3.09Å; D774-T776 WeakPolarHBondContact OD1-CB 3.46Å; D774-T776 PolarHBondContact OD1-N 3.02Å; D774-T776 VanDerWaalsContact OD1-N 3.09Å; D774-T776 PolarHBondContact OD1-OG1 3.22Å; D774-T776 PolarHBondContact OD2-OG1 2.6Å; D774-T776 VanDerWaalsContact OD2-OG1 3.07Å
777K64.3Low75.6Confident112 Ų11263.6 Ų63.649%0.48734%0.336SS..G310 helixtrans-92.3-7.8179.4-64.5-179-175.6175.10113.5D774 I775 R779 Q856D774-K777 HydrophobicContact CB-CB 4.48Å; D774-K777 HydrophobicContact CB-CD 3.99Å; D774-K777 HydrophobicContact CB-CG 4.03Å; D774-K777 WeakPolarHBondContact O-CB 3.49Å; D774-K777 PolarHBondContact O-N 2.98Å; I775-K777 PolarHBondContact O-N 3.38Å; K777-R779 PolarHBondContact O-N 2.9Å; K777-Q856 WeakPolarHBondContact O-CB 3.45Å; K777-Q856 PolarHBondContact O-OE1 3.38Å
778I74.4Confident76Confident67 Ų6763.2 Ų63.234%0.34433%0.334SS..PPolyproline II helixtrans-67.8124.2-179.8-61.5175.9000109.8I773 I775 Q856I773-I778 HydrophobicContact CG2-CG1 4.34Å; I775-I778 PolarHBondContact O-N 3.46Å; I778-Q856 WeakPolarHBondContact CA-O 3.41Å
779R81.4Confident76.5Confident25 Ų2560.8 Ų60.89%0.09432%0.321CS..PPolyproline II helixtrans-88.1158176.872.8167.7-178.288-3.8112.5K777 D785 R788 T855 Q856 L857K777-R779 PolarHBondContact O-N 2.9Å; R779-D785 IonicContact CZ-OD1 3.59Å; R779-D785 IonicContact CZ-OD2 3.62Å; R779-D785 IonicContact NH1-OD1 2.81Å; R779-D785 IonicContact NH1-OD2 3.62Å; R779-D785 PolarHBondContact NH1-OD2 3.38Å; R779-D785 IonicContact NH2-OD1 3.51Å; R779-D785 PolarHBondContact NH2-OD1 3.43Å; R779-D785 IonicContact NH2-OD2 2.72Å; R779-D785 PolarHBondContact NH2-OD2 3.49Å; R779-R788 VanDerWaalsContact NH2-NH1 3.2Å; R779-T855 WeakPolarHBondContact CD-O 3.3Å; R779-T855 PolarHBondContact NE-O 3.25Å; R779-Q856 PolarHBondContact N-O 2.65Å; R779-L857 HydrophobicContact CG-CD2 4.04Å; R779-L857 VanDerWaalsContact CZ-CD2 3.45Å
780Q79.3Confident77Confident97 Ų9761.4 Ų61.445%0.45332%0.324SS..PPolyproline II helixtrans-70.7159.3172.7-68-90-26.700112.1H469 A470 S471H469-Q780 PolarHBondContact O-OE1 3.3Å; A470-Q780 PolarHBondContact O-OE1 3.19Å; S471-Q780 VanDerWaalsContact N-OE1 3.17Å
781L82.1Confident77.8Confident28 Ų2858.9 Ų58.915%0.14731%0.305CS..PPolyproline II helixtrans-68.6142.3177.2-72.6173.7000112.1I465 H469 D785 L857 I865I465-L781 HydrophobicContact CG2-CD1 3.57Å; H469-L781 HydrophobicContact CB-CD1 3.55Å; H469-L781 HydrophobicContact CB-CG 3.92Å; H469-L781 WeakPolarHBondContact O-CB 3.44Å; H469-L781 PolarHBondContact O-N 3.11Å; L781-D785 WeakPolarHBondContact CA-OD2 3.35Å; L781-D785 HydrophobicContact CD2-CB 3.82Å; L781-L857 HydrophobicContact CD2-CD2 4.28Å; L781-I865 HydrophobicContact CD1-CD1 4.2Å; L781-I865 HydrophobicContact CD2-CD1 4.11Å
782K81.8Confident78.7Confident87 Ų8756.2 Ų56.238%0.37828%0.282SS..  trans-122.2163172.9-64.6178.1179.7175.20109.3D758 D784 D785D758-K782 IonicContact OD2-NZ 3.79Å; D758-K782 PolarHBondContact OD2-NZ 3.48Å; K782-D784 PolarHBondContact O-N 2.79Å; K782-D785 PolarHBondContact N-OD2 3.02Å; K782-D785 VanDerWaalsContact O-CB 3.28Å; K782-D785 WeakPolarHBondContact O-CB 3.37Å; K782-D785 PolarHBondContact O-N 3.44Å
783L80.8Confident80.3Confident57 Ų5748.4 Ų48.430%0.29824%0.24SC..Hα-helixtrans-56.3-33.3177.9-69.9174.4000113.1K546 Y550 D785 I786K546-L783 HydrophobicContact CB-CD1 4.48Å; Y550-L783 HydrophobicContact CD1-CB 4.26Å; Y550-L783 HydrophobicContact CD2-CB 4.47Å; Y550-L783 HydrophobicContact CD2-CD1 4.3Å; Y550-L783 HydrophobicContact CE1-CB 3.98Å; Y550-L783 WeakPolarHBondContact CE1-O 3.29Å; Y550-L783 HydrophobicContact CE2-CB 4.21Å; Y550-L783 HydrophobicContact CE2-CD1 4.33Å; Y550-L783 HydrophobicContact CG-CB 4.49Å; L783-D785 PolarHBondContact O-N 2.98Å; L783-I786 HydrophobicContact CD2-CD1 4.17Å; L783-I786 WeakPolarHBondContact O-CB 3.45Å; L783-I786 PolarHBondContact O-N 3.36Å; L783-I786 VanDerWaalsContact O-N 3.09Å
784D83.8Confident81.8Confident18 Ų1845 Ų4510%0.09622%0.223CC..Hα-helixtrans-62.9-21.4175.5-83.414.6000114.4Y550 Q756 K782 I786 R787 R788Y550-D784 PolarHBondContact OH-OD1 3.49Å; Q756-D784 PolarHBondContact NE2-OD2 3.33Å; K782-D784 PolarHBondContact O-N 2.79Å; D784-I786 VanDerWaalsContact C-N 3.26Å; D784-R787 WeakPolarHBondContact O-CB 3.37Å; D784-R787 PolarHBondContact O-N 3.33Å; D784-R788 WeakPolarHBondContact O-CG 3.34Å; D784-R788 PolarHBondContact O-N 2.94Å
785D87.2Confident83.6Confident1 Ų141.3 Ų41.31%0.00520%0.203CC..Hα-helixtrans-72.2-26.7177.2-58.3-35.6000111R779 L781 K782 L783 R788 S789 L857 L862R779-D785 IonicContact CZ-OD1 3.59Å; R779-D785 IonicContact CZ-OD2 3.62Å; R779-D785 IonicContact NH1-OD1 2.81Å; R779-D785 IonicContact NH1-OD2 3.62Å; R779-D785 PolarHBondContact NH1-OD2 3.38Å; R779-D785 IonicContact NH2-OD1 3.51Å; R779-D785 PolarHBondContact NH2-OD1 3.43Å; R779-D785 IonicContact NH2-OD2 2.72Å; R779-D785 PolarHBondContact NH2-OD2 3.49Å; L781-D785 WeakPolarHBondContact CA-OD2 3.35Å; L781-D785 HydrophobicContact CD2-CB 3.82Å; K782-D785 PolarHBondContact N-OD2 3.02Å; K782-D785 VanDerWaalsContact O-CB 3.28Å; K782-D785 WeakPolarHBondContact O-CB 3.37Å; K782-D785 PolarHBondContact O-N 3.44Å; L783-D785 PolarHBondContact O-N 2.98Å; D785-R788 PolarHBondContact O-N 3.28Å; D785-R788 IonicContact OD1-CZ 3.45Å; D785-R788 IonicContact OD1-NH1 2.79Å; D785-R788 PolarHBondContact OD1-NH1 2.69Å; D785-S789 PolarHBondContact O-N 2.86Å; D785-S789 PolarHBondContact O-OG 2.9Å; D785-L857 WeakPolarHBondContact OD1-CD1 3.34Å; D785-L862 HydrophobicContact CB-CD2 4.07Å
786I87.8Confident85.2Confident51 Ų5134.5 Ų34.526%0.26217%0.168SC..Hα-helixtrans-64.5-43.8169.8-55.4174.7000110V554 L783 D784 R788 S789 Y790V554-I786 HydrophobicContact CG2-CG2 3.6Å; L783-I786 HydrophobicContact CD2-CD1 4.17Å; L783-I786 WeakPolarHBondContact O-CB 3.45Å; L783-I786 PolarHBondContact O-N 3.36Å; L783-I786 VanDerWaalsContact O-N 3.09Å; D784-I786 VanDerWaalsContact C-N 3.26Å; I786-R788 PolarHBondContact O-N 3.14Å; I786-S789 PolarHBondContact O-N 2.92Å; I786-Y790 WeakPolarHBondContact O-CB 3.4Å; I786-Y790 PolarHBondContact O-N 2.8Å
787R90.3Very high86.9Confident25 Ų2529 Ų299%0.09414%0.135CC..Hα-helixtrans-61.4-43.3175-179.4-170.161.176.23.7111.5E749 D784 Y790 F791E749-R787 IonicContact OE1-CZ 3.19Å; E749-R787 IonicContact OE1-NH1 2.95Å; E749-R787 PolarHBondContact OE1-NH1 3.14Å; E749-R787 IonicContact OE1-NH2 2.76Å; E749-R787 PolarHBondContact OE1-NH2 3.47Å; E749-R787 IonicContact OE2-CZ 2.76Å; E749-R787 IonicContact OE2-NH2 3.34Å; E749-R787 PolarHBondContact OE2-NH2 3.09Å; D784-R787 WeakPolarHBondContact O-CB 3.37Å; D784-R787 PolarHBondContact O-N 3.33Å; R787-Y790 PolarHBondContact O-N 3.43Å; R787-F791 HydrophobicContact CG-CD1 3.97Å; R787-F791 HydrophobicContact CG-CE1 3.54Å; R787-F791 HydrophobicContact CG-CE2 4.5Å; R787-F791 HydrophobicContact CG-CZ 3.85Å; R787-F791 VanDerWaalsContact O-CD1 3.31Å; R787-F791 WeakPolarHBondContact O-CD1 3.34Å; R787-F791 PolarHBondContact O-N 2.91Å
788R90.6Very high88.3Confident0 Ų023.7 Ų23.70%011%0.112CC..Hα-helixtrans-61.8-44.3177.7-70.4172.2179.6116.28.6111.8E749 R779 D784 D785 I786 F791 F792E749-R788 IonicContact OE2-CZ 3.78Å; E749-R788 VanDerWaalsContact OE2-CZ 3.29Å; E749-R788 IonicContact OE2-NE 2.71Å; E749-R788 PolarHBondContact OE2-NE 3.22Å; E749-R788 IonicContact OE2-NH2 3.62Å; E749-R788 PolarHBondContact OE2-NH2 3.49Å; R779-R788 VanDerWaalsContact NH2-NH1 3.2Å; D784-R788 WeakPolarHBondContact O-CG 3.34Å; D784-R788 PolarHBondContact O-N 2.94Å; D785-R788 PolarHBondContact O-N 3.28Å; D785-R788 IonicContact OD1-CZ 3.45Å; D785-R788 IonicContact OD1-NH1 2.79Å; D785-R788 PolarHBondContact OD1-NH1 2.69Å; I786-R788 PolarHBondContact O-N 3.14Å; R788-F791 PolarHBondContact O-N 3.45Å; R788-F792 WeakPolarHBondContact O-CB 3.36Å; R788-F792 PolarHBondContact O-N 3.29Å
789S91.7Very high89.1Confident0 Ų020.5 Ų20.50%010%0.095CC..Hα-helixtrans-64.8-40174.8-67.50000112.2D785 I786 F792 V793 L862D785-S789 PolarHBondContact O-N 2.86Å; D785-S789 PolarHBondContact O-OG 2.9Å; I786-S789 PolarHBondContact O-N 2.92Å; S789-F792 WeakPolarHBondContact O-CB 3.5Å; S789-F792 PolarHBondContact O-N 2.96Å; S789-V793 WeakPolarHBondContact O-CG2 3.44Å; S789-V793 PolarHBondContact O-N 3.3Å; S789-L862 PolarHBondContact OG-O 2.87Å
790Y92.8Very high89.4Confident29 Ų2920.6 Ų20.611%0.11410%0.096CC..Hα-helixtrans-63.5-46.2174.5175.5-100.7000112.1G557 L561 I786 R787 F792 V793 F794G557-Y790 WeakPolarHBondContact CA-OH 3.47Å; G557-Y790 PolarHBondContact O-OH 3.04Å; L561-Y790 HydrophobicContact CD1-CD2 4.39Å; L561-Y790 HydrophobicContact CD1-CE2 3.77Å; L561-Y790 HydrophobicContact CG-CE2 4.26Å; I786-Y790 WeakPolarHBondContact O-CB 3.4Å; I786-Y790 PolarHBondContact O-N 2.8Å; R787-Y790 PolarHBondContact O-N 3.43Å; Y790-F792 PolarHBondContact O-N 3.17Å; Y790-V793 PolarHBondContact O-N 3.36Å; Y790-F794 HydrophobicContact CE1-CB 4.49Å; Y790-F794 VanDerWaalsContact O-CB 3.3Å; Y790-F794 WeakPolarHBondContact O-CB 3.26Å; Y790-F794 PolarHBondContact O-N 3.06Å
791F94.1Very high89.6Confident7 Ų716.1 Ų16.13%0.0318%0.075CC..Hα-helixtrans-58-40.7175.9-79.320.3000110.9L578 W581 W598 W745 R787 R788 F794 F795L578-F791 HydrophobicContact CD2-CD1 3.84Å; L578-F791 HydrophobicContact CD2-CE1 3.24Å; L578-F791 HydrophobicContact CD2-CZ 3.67Å; W581-F791 HydrophobicContact CD2-CE2 4.09Å; W581-F791 AromaticContact CD2-CZ 3.99Å; W581-F791 HydrophobicContact CD2-CZ 3.99Å; W581-F791 AromaticContact CE3-CE2 3.65Å; W581-F791 HydrophobicContact CE3-CE2 3.65Å; W581-F791 AromaticContact CE3-CZ 4Å; W581-F791 HydrophobicContact CE3-CZ 4Å; W581-F791 HydrophobicContact CG-CZ 4.2Å; W581-F791 AromaticContact CZ3-CE2 3.88Å; W581-F791 HydrophobicContact CZ3-CE2 3.88Å; W598-F791 HydrophobicContact CH2-CD2 4.03Å; W598-F791 AromaticContact CH2-CE2 3.87Å; W598-F791 HydrophobicContact CH2-CE2 3.87Å; W598-F791 HydrophobicContact CZ2-CD2 4.42Å; W598-F791 AromaticContact CZ2-CE2 3.85Å; W598-F791 HydrophobicContact CZ2-CE2 3.85Å; W745-F791 AromaticContact CE2-CD2 3.99Å; W745-F791 HydrophobicContact CH2-CB 4.01Å; W745-F791 HydrophobicContact CZ2-CB 3.5Å; W745-F791 HydrophobicContact CZ2-CD2 4.25Å; W745-F791 HydrophobicContact CZ2-CG 4.38Å; W745-F791 AromaticContact NE1-CD2 3.64Å; R787-F791 HydrophobicContact CG-CD1 3.97Å; R787-F791 HydrophobicContact CG-CE1 3.54Å; R787-F791 HydrophobicContact CG-CE2 4.5Å; R787-F791 HydrophobicContact CG-CZ 3.85Å; R787-F791 VanDerWaalsContact O-CD1 3.31Å; R787-F791 WeakPolarHBondContact O-CD1 3.34Å; R787-F791 PolarHBondContact O-N 2.91Å; R788-F791 PolarHBondContact O-N 3.45Å; F791-F794 PolarHBondContact O-N 3.48Å; F791-F795 HydrophobicContact CB-CD2 4.32Å; F791-F795 HydrophobicContact CB-CE2 4.14Å; F791-F795 HydrophobicContact CD2-CE2 4.47Å; F791-F795 WeakPolarHBondContact O-CB 3.18Å; F791-F795 WeakPolarHBondContact O-CD2 3.41Å; F791-F795 WeakPolarHBondContact O-CG 3.27Å; F791-F795 PolarHBondContact O-N 3.26Å
792F93.8Very high89.4Confident4 Ų415 Ų152%0.0187%0.071CC..Hα-helixtrans-60.4-52.5175.5169.5-105.6000112.4W745 R788 S789 Y790 F794 F795 I796 V844 M845 F848 V866 L907W745-F792 HydrophobicContact CH2-CB 4.06Å; R788-F792 WeakPolarHBondContact O-CB 3.36Å; R788-F792 PolarHBondContact O-N 3.29Å; S789-F792 WeakPolarHBondContact O-CB 3.5Å; S789-F792 PolarHBondContact O-N 2.96Å; Y790-F792 PolarHBondContact O-N 3.17Å; F792-F794 VanDerWaalsContact C-N 3.31Å; F792-F794 PolarHBondContact O-N 2.9Å; F792-F795 PolarHBondContact O-N 3.27Å; F792-I796 HydrophobicContact CD2-CG1 4.19Å; F792-I796 HydrophobicContact CE1-CG1 4.28Å; F792-I796 HydrophobicContact CE2-CD1 3.83Å; F792-I796 HydrophobicContact CE2-CG1 3.63Å; F792-I796 HydrophobicContact CZ-CD1 4.07Å; F792-I796 HydrophobicContact CZ-CG1 3.67Å; F792-I796 WeakPolarHBondContact O-CG1 3.34Å; F792-I796 PolarHBondContact O-N 3.1Å; F792-V844 HydrophobicContact CD2-CG1 3.84Å; F792-V844 HydrophobicContact CE2-CG1 3.98Å; F792-M845 HydrophobicContact CE1-SD 4.43Å; F792-M845 HydrophobicContact CE2-CG 4.29Å; F792-M845 HydrophobicContact CE2-SD 3.33Å; F792-M845 WeakPolarHBondContact CE2-SD 3.46Å; F792-M845 HydrophobicContact CZ-CG 4.5Å; F792-M845 HydrophobicContact CZ-SD 3.2Å; F792-M845 WeakPolarHBondContact CZ-SD 3.45Å; F792-F848 HydrophobicContact CB-CD2 3.57Å; F792-F848 HydrophobicContact CB-CE2 3.57Å; F792-F848 HydrophobicContact CB-CG 4.1Å; F792-F848 HydrophobicContact CB-CZ 4.1Å; F792-F848 HydrophobicContact CD1-CD1 4.3Å; F792-F848 HydrophobicContact CD1-CE1 4.15Å; F792-F848 HydrophobicContact CD1-CE2 4.49Å; F792-F848 HydrophobicContact CD1-CZ 4.23Å; F792-F848 HydrophobicContact CD2-CB 3.53Å; F792-F848 AromaticContact CD2-CD1 3.88Å; F792-F848 HydrophobicContact CD2-CD1 3.88Å; F792-F848 AromaticContact CD2-CD2 3.86Å; F792-F848 HydrophobicContact CD2-CD2 3.86Å; F792-F848 HydrophobicContact CD2-CE1 4.5Å; F792-F848 HydrophobicContact CD2-CE2 4.47Å; F792-F848 AromaticContact CD2-CG 3.49Å; F792-F848 HydrophobicContact CD2-CG 3.49Å; F792-F848 VanDerWaalsContact CD2-CG 3.49Å; F792-F848 HydrophobicContact CE1-CD1 4.5Å; F792-F848 HydrophobicContact CE2-CB 3.93Å; F792-F848 HydrophobicContact CE2-CD1 4.11Å; F792-F848 HydrophobicContact CE2-CG 4.07Å; F792-F848 HydrophobicContact CG-CB 4.3Å; F792-F848 AromaticContact CG-CD1 3.98Å; F792-F848 HydrophobicContact CG-CD1 3.98Å; F792-F848 AromaticContact CG-CD2 3.75Å; F792-F848 HydrophobicContact CG-CD2 3.75Å; F792-F848 HydrophobicContact CG-CE1 4.14Å; F792-F848 AromaticContact CG-CE2 3.92Å; F792-F848 HydrophobicContact CG-CE2 3.92Å; F792-F848 AromaticContact CG-CG 3.76Å; F792-F848 HydrophobicContact CG-CG 3.76Å; F792-F848 HydrophobicContact CG-CZ 4.09Å; F792-F848 HydrophobicContact CZ-CD1 4.42Å; F792-V866 HydrophobicContact CD1-CG1 4.27Å; F792-V866 HydrophobicContact CD1-CG2 3.56Å; F792-V866 HydrophobicContact CE1-CG1 3.98Å; F792-V866 HydrophobicContact CE1-CG2 3.94Å; F792-L907 HydrophobicContact CE1-CD1 3.96Å; F792-L907 HydrophobicContact CZ-CD1 4.05Å; F792-L907 HydrophobicContact CZ-CD2 4.04Å
793V93.3Very high88.9Confident0 Ų011.3 Ų11.30%06%0.055CC..Hα-helixtrans-58.8-44.8177175.50000110.7L561 S789 Y790 F795 I796 I797 V866 I869 M873 M903L561-V793 HydrophobicContact CD1-CG1 3.84Å; S789-V793 WeakPolarHBondContact O-CG2 3.44Å; S789-V793 PolarHBondContact O-N 3.3Å; Y790-V793 PolarHBondContact O-N 3.36Å; V793-F795 PolarHBondContact O-N 2.95Å; V793-I796 PolarHBondContact O-N 3.18Å; V793-I797 HydrophobicContact CG1-CD1 3.82Å; V793-I797 WeakPolarHBondContact O-CG1 3.24Å; V793-I797 PolarHBondContact O-N 2.96Å; V793-V866 HydrophobicContact CG2-CB 4.4Å; V793-V866 HydrophobicContact CG2-CG1 3.88Å; V793-V866 HydrophobicContact CG2-CG2 4.23Å; V793-I869 HydrophobicContact CB-CG2 4.41Å; V793-I869 HydrophobicContact CG1-CG2 4.08Å; V793-I869 HydrophobicContact CG2-CB 4.48Å; V793-I869 HydrophobicContact CG2-CG2 4.18Å; V793-M873 HydrophobicContact CG1-SD 4.39Å; V793-M903 HydrophobicContact CG1-CE 4.12Å
794F95.3Very high88.1Confident0 Ų010 Ų100%06%0.055CC..Hα-helixtrans-59.1-44.3177.6-177.5-82.9000112.4L560 L561 L571 L575 L578 Y790 F791 F792 I797 T798L560-F794 HydrophobicContact CD2-CD2 4.47Å; L560-F794 HydrophobicContact CD2-CE2 3.82Å; L561-F794 HydrophobicContact CD2-CB 4.29Å; L561-F794 HydrophobicContact CD2-CD2 3.56Å; L561-F794 HydrophobicContact CD2-CE2 4.24Å; L561-F794 HydrophobicContact CD2-CG 4.28Å; L571-F794 HydrophobicContact CD2-CE2 4.11Å; L571-F794 HydrophobicContact CD2-CZ 4.26Å; L575-F794 HydrophobicContact CD2-CE1 3.72Å; L575-F794 HydrophobicContact CD2-CZ 4.41Å; L575-F794 HydrophobicContact CG-CE1 3.76Å; L575-F794 HydrophobicContact CG-CZ 3.96Å; L578-F794 HydrophobicContact CD1-CD1 3.46Å; L578-F794 VanDerWaalsContact CD1-CD1 3.46Å; L578-F794 HydrophobicContact CD1-CD2 4.45Å; L578-F794 HydrophobicContact CD1-CE1 3.57Å; L578-F794 HydrophobicContact CD1-CG 3.96Å; L578-F794 HydrophobicContact CD1-CZ 4.14Å; Y790-F794 HydrophobicContact CE1-CB 4.49Å; Y790-F794 VanDerWaalsContact O-CB 3.3Å; Y790-F794 WeakPolarHBondContact O-CB 3.26Å; Y790-F794 PolarHBondContact O-N 3.06Å; F791-F794 PolarHBondContact O-N 3.48Å; F792-F794 VanDerWaalsContact C-N 3.31Å; F792-F794 PolarHBondContact O-N 2.9Å; F794-I797 PolarHBondContact O-N 3.47Å; F794-T798 VanDerWaalsContact CE1-OG1 3.28Å; F794-T798 WeakPolarHBondContact CE1-OG1 3.13Å; F794-T798 WeakPolarHBondContact O-CB 3.29Å; F794-T798 PolarHBondContact O-N 3.38Å; F794-T798 PolarHBondContact O-OG1 3.41Å
795F95.6Very high86.9Confident0 Ų010 Ų100%06%0.055CC..Hα-helixtrans-72.5-30.2178-71.6-50.5000113.1L575 W598 L741 M742 W745 F791 F792 V793 A799 V844L575-F795 HydrophobicContact CD2-CE1 4.11Å; W598-F795 HydrophobicContact CH2-CE2 4.09Å; W598-F795 AromaticContact CH2-CZ 3.78Å; W598-F795 HydrophobicContact CH2-CZ 3.78Å; W598-F795 HydrophobicContact CZ3-CZ 4.38Å; L741-F795 HydrophobicContact CD2-CD1 4.49Å; L741-F795 HydrophobicContact CD2-CE1 3.56Å; L741-F795 HydrophobicContact CD2-CZ 3.94Å; L741-F795 HydrophobicContact CG-CE1 4.41Å; L741-F795 HydrophobicContact CG-CZ 4.39Å; M742-F795 HydrophobicContact CE-CB 4.24Å; M742-F795 HydrophobicContact CE-CD1 3.77Å; M742-F795 HydrophobicContact CE-CD2 3.58Å; M742-F795 HydrophobicContact CE-CE1 3.95Å; M742-F795 HydrophobicContact CE-CE2 3.77Å; M742-F795 HydrophobicContact CE-CG 3.6Å; M742-F795 HydrophobicContact CE-CZ 3.95Å; M742-F795 HydrophobicContact SD-CD2 4.4Å; W745-F795 HydrophobicContact CD2-CD2 4.42Å; W745-F795 HydrophobicContact CD2-CE2 4.05Å; W745-F795 AromaticContact CE3-CD2 3.87Å; W745-F795 HydrophobicContact CE3-CD2 3.87Å; W745-F795 AromaticContact CE3-CE2 3.91Å; W745-F795 HydrophobicContact CE3-CE2 3.91Å; W745-F795 HydrophobicContact CH2-CD2 4.21Å; W745-F795 AromaticContact CZ3-CD2 3.75Å; W745-F795 HydrophobicContact CZ3-CD2 3.75Å; W745-F795 HydrophobicContact CZ3-CE2 4.2Å; F791-F795 HydrophobicContact CB-CD2 4.32Å; F791-F795 HydrophobicContact CB-CE2 4.14Å; F791-F795 HydrophobicContact CD2-CE2 4.47Å; F791-F795 WeakPolarHBondContact O-CB 3.18Å; F791-F795 WeakPolarHBondContact O-CD2 3.41Å; F791-F795 WeakPolarHBondContact O-CG 3.27Å; F791-F795 PolarHBondContact O-N 3.26Å; F792-F795 PolarHBondContact O-N 3.27Å; V793-F795 PolarHBondContact O-N 2.95Å; F795-A799 WeakPolarHBondContact O-CB 3.35Å; F795-A799 PolarHBondContact O-N 3.3Å; F795-V844 HydrophobicContact CB-CG1 3.83Å; F795-V844 HydrophobicContact CB-CG2 4.16Å
796I92.9Very high85.3Confident0 Ų012.8 Ų12.80%07%0.07CC..Hα-helixtrans-65.4-45.2170.8-66.5-66.6000110.5F792 V793 T798 A799 F800 F841 V844 M845 M903 L907F792-I796 HydrophobicContact CD2-CG1 4.19Å; F792-I796 HydrophobicContact CE1-CG1 4.28Å; F792-I796 HydrophobicContact CE2-CD1 3.83Å; F792-I796 HydrophobicContact CE2-CG1 3.63Å; F792-I796 HydrophobicContact CZ-CD1 4.07Å; F792-I796 HydrophobicContact CZ-CG1 3.67Å; F792-I796 WeakPolarHBondContact O-CG1 3.34Å; F792-I796 PolarHBondContact O-N 3.1Å; V793-I796 PolarHBondContact O-N 3.18Å; I796-T798 VanDerWaalsContact C-N 3.34Å; I796-T798 PolarHBondContact O-N 2.71Å; I796-A799 WeakPolarHBondContact O-CB 3.5Å; I796-A799 PolarHBondContact O-N 2.98Å; I796-A799 VanDerWaalsContact O-N 3.15Å; I796-F800 PolarHBondContact O-N 3.46Å; I796-F841 HydrophobicContact CD1-CB 4.31Å; I796-F841 HydrophobicContact CD1-CD2 4.47Å; I796-F841 HydrophobicContact CD1-CG 4.31Å; I796-F841 HydrophobicContact CG2-CD2 3.99Å; I796-F841 HydrophobicContact CG2-CE1 4.42Å; I796-F841 HydrophobicContact CG2-CE2 3.78Å; I796-F841 HydrophobicContact CG2-CG 4.45Å; I796-F841 HydrophobicContact CG2-CZ 4Å; I796-V844 HydrophobicContact CD1-CB 3.76Å; I796-V844 HydrophobicContact CD1-CG1 3.63Å; I796-V844 HydrophobicContact CG1-CG1 3.96Å; I796-M845 HydrophobicContact CD1-CG 4.44Å; I796-M903 HydrophobicContact CB-CE 3.67Å; I796-M903 HydrophobicContact CG2-CE 3.33Å; I796-M903 HydrophobicContact CG2-CG 4.36Å; I796-M903 HydrophobicContact CG2-SD 3.8Å; I796-L907 HydrophobicContact CD1-CD2 3.84Å; I796-L907 HydrophobicContact CG1-CD2 4.06Å; I796-L907 HydrophobicContact CG2-CD2 4.23Å
797I92.1Very high83.2Confident2 Ų212.8 Ų12.81%0.018%0.077CC..Hα-helixtrans-64.9-41.4177.3-69168.1000110.5L561 F565 L571 V793 F794 A799 F800 F801 M873 M903L561-I797 HydrophobicContact CB-CD1 4.1Å; L561-I797 HydrophobicContact CD1-CD1 3.91Å; L561-I797 HydrophobicContact CD2-CB 4.38Å; L561-I797 HydrophobicContact CD2-CD1 3.72Å; L561-I797 HydrophobicContact CD2-CG2 4.36Å; L561-I797 HydrophobicContact CG-CD1 4.12Å; F565-I797 HydrophobicContact CE2-CD1 4.34Å; F565-I797 HydrophobicContact CE2-CG2 4.3Å; L571-I797 HydrophobicContact CD1-CG2 4.42Å; L571-I797 HydrophobicContact CD2-CG2 3.95Å; V793-I797 HydrophobicContact CG1-CD1 3.82Å; V793-I797 WeakPolarHBondContact O-CG1 3.24Å; V793-I797 PolarHBondContact O-N 2.96Å; F794-I797 PolarHBondContact O-N 3.47Å; I797-A799 VanDerWaalsContact C-N 3.29Å; I797-A799 PolarHBondContact O-N 3.12Å; I797-F800 WeakPolarHBondContact O-CB 3.17Å; I797-F800 PolarHBondContact O-N 3.04Å; I797-F801 HydrophobicContact CG2-CD2 3.64Å; I797-F801 HydrophobicContact CG2-CE2 3.74Å; I797-F801 WeakPolarHBondContact O-CD2 3.4Å; I797-F801 PolarHBondContact O-N 2.73Å; I797-M873 HydrophobicContact CD1-CE 3.71Å; I797-M873 HydrophobicContact CD1-SD 4.17Å; I797-M903 HydrophobicContact CG1-CE 4.06Å; I797-M903 HydrophobicContact CG1-SD 4.24Å
798T92.9Very high81.2Confident0 Ų013.7 Ų13.70%09%0.088CC..Hα-helixtrans-61.4-39.5173-56.90000111.6L575 L605 F734 F794 I796 F800 G802L575-T798 HydrophobicContact CD1-CG2 4.13Å; L605-T798 HydrophobicContact CD2-CG2 3.84Å; L605-T798 HydrophobicContact CG-CG2 4.19Å; F734-T798 HydrophobicContact CE2-CG2 4.48Å; F734-T798 HydrophobicContact CZ-CG2 4.37Å; F734-T798 WeakPolarHBondContact CZ-O 3.26Å; F794-T798 VanDerWaalsContact CE1-OG1 3.28Å; F794-T798 WeakPolarHBondContact CE1-OG1 3.13Å; F794-T798 WeakPolarHBondContact O-CB 3.29Å; F794-T798 PolarHBondContact O-N 3.38Å; F794-T798 PolarHBondContact O-OG1 3.41Å; I796-T798 VanDerWaalsContact C-N 3.34Å; I796-T798 PolarHBondContact O-N 2.71Å; T798-F800 VanDerWaalsContact C-N 3.31Å; T798-F800 PolarHBondContact O-N 3.37Å; T798-G802 VanDerWaalsContact O-CA 3.31Å; T798-G802 WeakPolarHBondContact O-CA 3.43Å; T798-G802 PolarHBondContact O-N 3.1Å
799A91.3Very high79Confident0 Ų019.7 Ų19.70%012%0.118CC..Hα-helixtrans-64.7-36.5176.500000112.1F734 L738 F795 I796 I797 T803 P840 F841 V844F734-A799 HydrophobicContact CE1-CB 4.49Å; L738-A799 HydrophobicContact CD2-CB 4.35Å; F795-A799 WeakPolarHBondContact O-CB 3.35Å; F795-A799 PolarHBondContact O-N 3.3Å; I796-A799 WeakPolarHBondContact O-CB 3.5Å; I796-A799 PolarHBondContact O-N 2.98Å; I796-A799 VanDerWaalsContact O-N 3.15Å; I797-A799 VanDerWaalsContact C-N 3.29Å; I797-A799 PolarHBondContact O-N 3.12Å; A799-T803 PolarHBondContact O-OG1 2.95Å; A799-P840 HydrophobicContact CB-CB 3.72Å; A799-F841 HydrophobicContact CB-CD1 3.94Å; A799-F841 HydrophobicContact CB-CE1 4.13Å; A799-V844 HydrophobicContact CB-CG2 4.23Å
800F87.6Confident76.9Confident27 Ų2721.7 Ų21.712%0.11813%0.129CC..Hα-helixtrans-68-52.7175.8-174.8-108.4000112.3I796 I797 T798 T803 N805 V837 F841 I899I796-F800 PolarHBondContact O-N 3.46Å; I797-F800 WeakPolarHBondContact O-CB 3.17Å; I797-F800 PolarHBondContact O-N 3.04Å; T798-F800 VanDerWaalsContact C-N 3.31Å; T798-F800 PolarHBondContact O-N 3.37Å; F800-T803 PolarHBondContact O-OG1 3.41Å; F800-N805 WeakPolarHBondContact CE1-OD1 3.46Å; F800-N805 WeakPolarHBondContact CZ-OD1 3.5Å; F800-V837 HydrophobicContact CD2-CG1 3.93Å; F800-V837 HydrophobicContact CE2-CG1 4.21Å; F800-F841 HydrophobicContact CB-CE1 3.79Å; F800-F841 HydrophobicContact CB-CZ 3.73Å; F800-F841 HydrophobicContact CD2-CE1 4.25Å; F800-F841 AromaticContact CD2-CZ 3.78Å; F800-F841 HydrophobicContact CD2-CZ 3.78Å; F800-F841 HydrophobicContact CG-CZ 4.18Å; F800-I899 HydrophobicContact CE1-CD1 3.79Å; F800-I899 HydrophobicContact CE1-CG1 4.5Å; F800-I899 HydrophobicContact CE1-CG2 4.15Å; F800-I899 HydrophobicContact CZ-CD1 3.67Å; F800-I899 HydrophobicContact CZ-CG1 4.12Å; F800-I899 HydrophobicContact CZ-CG2 4.22Å
801F84.3Confident75.1Confident2 Ų222 Ų221%0.00914%0.135CC..Hα-helixtrans-77.2-27.9-177.1-74.1-70.3000113.5F565 R568 L571 I797 G804 N805F565-F801 HydrophobicContact CB-CZ 4.27Å; F565-F801 HydrophobicContact CD1-CE2 4.19Å; F565-F801 AromaticContact CD1-CZ 3.67Å; F565-F801 HydrophobicContact CD1-CZ 3.67Å; F565-F801 HydrophobicContact CD2-CE2 4.05Å; F565-F801 HydrophobicContact CD2-CZ 4.19Å; F565-F801 HydrophobicContact CE1-CE2 4.19Å; F565-F801 AromaticContact CE1-CZ 3.98Å; F565-F801 HydrophobicContact CE1-CZ 3.98Å; F565-F801 HydrophobicContact CE2-CE2 4.05Å; F565-F801 HydrophobicContact CE2-CZ 4.46Å; F565-F801 HydrophobicContact CG-CE2 4.13Å; F565-F801 AromaticContact CG-CZ 3.78Å; F565-F801 HydrophobicContact CG-CZ 3.78Å; F565-F801 HydrophobicContact CZ-CE2 4.12Å; F565-F801 HydrophobicContact CZ-CZ 4.36Å; R568-F801 HydrophobicContact CG-CD1 3.86Å; R568-F801 HydrophobicContact CG-CE1 4.39Å; R568-F801 HydrophobicContact CG-CG 4.44Å; L571-F801 HydrophobicContact CD1-CB 3.58Å; L571-F801 HydrophobicContact CD1-CD2 3.74Å; L571-F801 HydrophobicContact CD1-CG 3.95Å; I797-F801 HydrophobicContact CG2-CD2 3.64Å; I797-F801 HydrophobicContact CG2-CE2 3.74Å; I797-F801 WeakPolarHBondContact O-CD2 3.4Å; I797-F801 PolarHBondContact O-N 2.73Å; F801-G804 PolarHBondContact O-N 3.38Å; F801-N805 HydrophobicContact CD1-CB 4.14Å; F801-N805 VanDerWaalsContact CE1-ND2 3.32Å; F801-N805 WeakPolarHBondContact CE1-ND2 3.49Å
802G77.8Confident73.6Confident5 Ų523.8 Ų23.85%0.05214%0.143CC..Hα-helixtrans-74.8-20.9-175.500000115T798 G804T798-G802 VanDerWaalsContact O-CA 3.31Å; T798-G802 WeakPolarHBondContact O-CA 3.43Å; T798-G802 PolarHBondContact O-N 3.1Å; G802-G804 VanDerWaalsContact C-N 3.29Å
803T71.9Confident72.3Confident9 Ų924.9 Ų24.96%0.05515%0.149CC..THydrogen-bonded Turntrans-86.84.7174.751.50000114.8Y723 F734 A799 F800 P840Y723-T803 HydrophobicContact CE2-CG2 4.02Å; Y723-T803 VanDerWaalsContact OH-CB 3.26Å; Y723-T803 WeakPolarHBondContact OH-CB 3.45Å; Y723-T803 WeakPolarHBondContact OH-CG2 3.26Å; F734-T803 HydrophobicContact CD1-CG2 3.49Å; F734-T803 VanDerWaalsContact CD1-CG2 3.49Å; F734-T803 HydrophobicContact CE1-CG2 3.89Å; F734-T803 HydrophobicContact CG-CG2 4.28Å; A799-T803 PolarHBondContact O-OG1 2.95Å; F800-T803 PolarHBondContact O-OG1 3.41Å; T803-P840 HydrophobicContact CG2-CB 4.32Å; T803-P840 HydrophobicContact CG2-CG 3.3Å
804G63.2Low71.2Confident29 Ų2927.3 Ų27.330%0.29917%0.165SC..THydrogen-bonded Turntrans88.366.1177.700000113.7V613 F801 G802V613-G804 WeakPolarHBondContact CG1-O 3.41Å; F801-G804 PolarHBondContact O-N 3.38Å; G802-G804 VanDerWaalsContact C-N 3.29Å
805N59.5Low70.3Confident18 Ų1828.5 Ų28.510%0.09618%0.175CC..  trans-20.4137.5-177.1-158.618.3000119.2F800 F801 A807F800-N805 WeakPolarHBondContact CE1-OD1 3.46Å; F800-N805 WeakPolarHBondContact CZ-OD1 3.5Å; F801-N805 HydrophobicContact CD1-CB 4.14Å; F801-N805 VanDerWaalsContact CE1-ND2 3.32Å; F801-N805 WeakPolarHBondContact CE1-ND2 3.49Å; N805-A807 PolarHBondContact O-N 2.95Å
806I53.5Low69.7Low61 Ų6128.7 Ų28.731%0.31318%0.176SC..  trans-88.379.3159.9-56.4171.1000106.5S808 M833 V837I806-S808 WeakPolarHBondContact CG2-O 3.32Å; I806-M833 HydrophobicContact CD1-CB 4.49Å; I806-V837 HydrophobicContact CD1-CG2 3.86Å; I806-V837 HydrophobicContact CG1-CG2 4.5Å
807A43.7Very low69.4Low50 Ų5028.7 Ų28.741%0.41318%0.176SC..SBendtrans-70-25.9173.300000111.2N805 S811N805-A807 PolarHBondContact O-N 2.95Å; A807-S811 PolarHBondContact N-OG 3.43Å
808S47.2Very low69.2Low45 Ų4532.4 Ų32.432%0.31519%0.191SC..SBendtrans-145.4151168.7167.40000108I806 N810 S811I806-S808 WeakPolarHBondContact CG2-O 3.32Å; S808-N810 PolarHBondContact O-N 3.28Å; S808-N810 PolarHBondContact OG-N 3.28Å; S808-S811 PolarHBondContact N-OG 2.96Å; S808-S811 PolarHBondContact O-N 3.38Å; S808-S811 PolarHBondContact O-OG 2.91Å
809I45.1Very low69.1Low125 Ų12532.9 Ų32.964%0.64119%0.194SC*.G310 helixtrans-51.6-29.2172.2-66.4170.7000110.5F812I809-F812 VanDerWaalsContact O-CB 3.23Å; I809-F812 WeakPolarHBondContact O-CB 3.44Å
810N47.4Very low69.1Low42 Ų4232.9 Ų32.923%0.22519%0.194CC..G310 helixtrans-80.2-14.9-177.5-56.3-3.1000113.7E95 S272 H273 S808 F812E95-N810 PolarHBondContact OE1-ND2 2.96Å; S272-N810 PolarHBondContact OG-O 3.18Å; H273-N810 WeakPolarHBondContact O-CB 3.28Å; H273-N810 PolarHBondContact O-ND2 2.99Å; S808-N810 PolarHBondContact O-N 3.28Å; S808-N810 PolarHBondContact OG-N 3.28Å; N810-F812 PolarHBondContact O-N 3.25Å; N810-F812 VanDerWaalsContact O-N 3.11Å
811S54.5Low69Low35 Ų3532.6 Ų32.625%0.24519%0.194CC..G310 helixtrans-743.4174.862.80000113.8A807 S808A807-S811 PolarHBondContact N-OG 3.43Å; S808-S811 PolarHBondContact N-OG 2.96Å; S808-S811 PolarHBondContact O-N 3.38Å; S808-S811 PolarHBondContact O-OG 2.91Å
812F63Low68.8Low45 Ų4535.3 Ų35.320%0.19721%0.21CC..  trans-81137.6-175.7174.2-116.4000112.4I809 N810 P814 S816 I817 M833I809-F812 VanDerWaalsContact O-CB 3.23Å; I809-F812 WeakPolarHBondContact O-CB 3.44Å; N810-F812 PolarHBondContact O-N 3.25Å; N810-F812 VanDerWaalsContact O-N 3.11Å; F812-P814 VanDerWaalsContact CE1-CA 3.48Å; F812-P814 HydrophobicContact CE1-CB 4.4Å; F812-P814 WeakPolarHBondContact O-CD 3.42Å; F812-S816 WeakPolarHBondContact CE2-OG 3.4Å; F812-S816 VanDerWaalsContact CZ-OG 3.3Å; F812-S816 WeakPolarHBondContact CZ-OG 3.4Å; F812-I817 HydrophobicContact CE1-CD1 4Å; F812-I817 HydrophobicContact CE1-CG1 4.22Å; F812-I817 HydrophobicContact CZ-CD1 4.13Å; F812-I817 HydrophobicContact CZ-CG1 3.94Å; F812-I817 HydrophobicContact CZ-CG2 4.05Å; F812-M833 HydrophobicContact CD2-CG 3.59Å; F812-M833 HydrophobicContact CD2-SD 3.72Å; F812-M833 HydrophobicContact CE1-CG 4.28Å; F812-M833 HydrophobicContact CE2-CE 3.4Å; F812-M833 VanDerWaalsContact CE2-CE 3.4Å; F812-M833 HydrophobicContact CE2-CG 3.19Å; F812-M833 HydrophobicContact CE2-SD 3.11Å; F812-M833 WeakPolarHBondContact CE2-SD 3.3Å; F812-M833 HydrophobicContact CG-CG 4.33Å; F812-M833 HydrophobicContact CZ-CE 3.66Å; F812-M833 HydrophobicContact CZ-CG 3.58Å; F812-M833 HydrophobicContact CZ-SD 3.89Å
813D66.8Low68.4Low28 Ų2840.2 Ų40.215%0.1524%0.239CC..  trans-92109169.7175.27.6000110.5W270 A815 S816W270-D813 HydrophobicContact CZ2-CB 4.08Å; W270-D813 VanDerWaalsContact CZ2-CG 3.46Å; W270-D813 WeakPolarHBondContact CZ2-OD1 3.41Å; D813-A815 PolarHBondContact O-N 3.43Å; D813-A815 WeakPolarHBondContact OD1-CA 3.41Å; D813-A815 WeakPolarHBondContact OD1-CB 3.49Å; D813-A815 PolarHBondContact OD1-N 3.18Å; D813-S816 PolarHBondContact O-N 2.93Å; D813-S816 PolarHBondContact O-OG 2.95Å
814P69.6Low68Low50 Ų5046.4 Ų46.433%0.32527%0.265SS..G310 helixtrans-53-26.7175.8-25.135.5000113.7F812 S816 I817 Y818F812-P814 VanDerWaalsContact CE1-CA 3.48Å; F812-P814 HydrophobicContact CE1-CB 4.4Å; F812-P814 WeakPolarHBondContact O-CD 3.42Å; P814-S816 PolarHBondContact O-N 2.92Å; P814-S816 VanDerWaalsContact O-N 3.09Å; P814-I817 WeakPolarHBondContact O-CG1 3.35Å; P814-I817 PolarHBondContact O-N 3.33Å; P814-I817 VanDerWaalsContact O-N 3.15Å; P814-Y818 HydrophobicContact CB-CE1 3.91Å; P814-Y818 WeakPolarHBondContact O-CD1 3.48Å; P814-Y818 WeakPolarHBondContact O-CE1 3.26Å
815A77Confident68.4Low25 Ų2547.8 Ų47.821%0.20727%0.266CS..G310 helixtrans-61.3-23.9179.400000113.5T728 D813 I817 Y818T728-A815 HydrophobicContact CG2-CB 4.17Å; D813-A815 PolarHBondContact O-N 3.43Å; D813-A815 WeakPolarHBondContact OD1-CA 3.41Å; D813-A815 WeakPolarHBondContact OD1-CB 3.49Å; D813-A815 PolarHBondContact OD1-N 3.18Å; A815-I817 VanDerWaalsContact C-N 3.26Å; A815-I817 PolarHBondContact O-N 3.38Å; A815-Y818 HydrophobicContact CB-CD2 4Å; A815-Y818 HydrophobicContact CB-CE2 3.93Å; A815-Y818 PolarHBondContact O-N 3.47Å
816S81.8Confident68.7Low5 Ų550.2 Ų50.24%0.03528%0.283CS..G310 helixtrans-75.7-9.3-179.566.60000114.9L726 F812 D813 P814 M833L726-S816 CarbonylContact C-O 3.54Å; L726-S816 VanDerWaalsContact CA-O 3.26Å; L726-S816 WeakPolarHBondContact CA-O 3.28Å; F812-S816 WeakPolarHBondContact CE2-OG 3.4Å; F812-S816 VanDerWaalsContact CZ-OG 3.3Å; F812-S816 WeakPolarHBondContact CZ-OG 3.4Å; D813-S816 PolarHBondContact O-N 2.93Å; D813-S816 PolarHBondContact O-OG 2.95Å; P814-S816 PolarHBondContact O-N 2.92Å; P814-S816 VanDerWaalsContact O-N 3.09Å; S816-M833 VanDerWaalsContact OG-CE 3.24Å; S816-M833 WeakPolarHBondContact OG-CE 3.2Å
817I88.1Confident69.8Low0 Ų056 Ų560%031%0.306CS..G310 helixtrans-109.30.6170.250.7172.7000113.6L726 F812 P814 A815 C819 F820 L821 M829 L832 M833L726-I817 HydrophobicContact CD2-CG2 4.27Å; F812-I817 HydrophobicContact CE1-CD1 4Å; F812-I817 HydrophobicContact CE1-CG1 4.22Å; F812-I817 HydrophobicContact CZ-CD1 4.13Å; F812-I817 HydrophobicContact CZ-CG1 3.94Å; F812-I817 HydrophobicContact CZ-CG2 4.05Å; P814-I817 WeakPolarHBondContact O-CG1 3.35Å; P814-I817 PolarHBondContact O-N 3.33Å; P814-I817 VanDerWaalsContact O-N 3.15Å; A815-I817 VanDerWaalsContact C-N 3.26Å; A815-I817 PolarHBondContact O-N 3.38Å; I817-C819 PolarHBondContact O-N 3.34Å; I817-F820 WeakPolarHBondContact O-CA 3.46Å; I817-F820 WeakPolarHBondContact O-CB 3.27Å; I817-F820 PolarHBondContact O-N 3.29Å; I817-L821 PolarHBondContact O-N 3Å; I817-M829 HydrophobicContact CD1-CB 3.51Å; I817-M829 HydrophobicContact CD1-CE 3.4Å; I817-M829 VanDerWaalsContact CD1-CE 3.4Å; I817-M829 HydrophobicContact CD1-CG 3.18Å; I817-M829 HydrophobicContact CD1-SD 3.5Å; I817-M829 WeakPolarHBondContact CD1-SD 3.48Å; I817-M829 HydrophobicContact CG1-CE 4.42Å; I817-L832 HydrophobicContact CB-CD1 4.23Å; I817-L832 HydrophobicContact CG2-CB 3.81Å; I817-L832 HydrophobicContact CG2-CD1 3.82Å; I817-L832 HydrophobicContact CG2-CG 4.48Å; I817-M833 HydrophobicContact CB-CE 4.44Å; I817-M833 HydrophobicContact CG2-CE 3.23Å; I817-M833 HydrophobicContact CG2-CG 4.49Å
818Y86.8Confident71.7Confident80 Ų8057 Ų5731%0.31430%0.304SS..THydrogen-bonded Turntrans-61-18.6-176-74.4-4.8000114L676 L682 P814 A815 F820 T822L676-Y818 HydrophobicContact CD1-CD2 3.46Å; L676-Y818 VanDerWaalsContact CD1-CD2 3.46Å; L676-Y818 HydrophobicContact CD1-CE2 4.32Å; L676-Y818 HydrophobicContact CD1-CG 3.92Å; L682-Y818 WeakPolarHBondContact CD1-O 3.42Å; P814-Y818 HydrophobicContact CB-CE1 3.91Å; P814-Y818 WeakPolarHBondContact O-CD1 3.48Å; P814-Y818 WeakPolarHBondContact O-CE1 3.26Å; A815-Y818 HydrophobicContact CB-CD2 4Å; A815-Y818 HydrophobicContact CB-CE2 3.93Å; A815-Y818 PolarHBondContact O-N 3.47Å; Y818-F820 PolarHBondContact O-N 2.95Å; Y818-T822 HydrophobicContact CD1-CG2 4.25Å; Y818-T822 HydrophobicContact CG-CG2 4.36Å
819C90.1Very high73.4Confident9 Ų955.7 Ų55.76%0.06129%0.293CS..THydrogen-bonded Turntrans-63.1-18.9169.5-64.80000113.6S690 I817S690-C819 VanDerWaalsContact CB-O 3.25Å; S690-C819 WeakPolarHBondContact CB-O 3.11Å; S690-C819 WeakPolarHBondContact OG-CB 3.42Å; S690-C819 PolarHBondContact OG-O 3.38Å; S690-C819 VanDerWaalsContact OG-O 3.05Å; I817-C819 PolarHBondContact O-N 3.34Å
820F91.8Very high75Confident0 Ų051.3 Ų51.30%028%0.278CS..THydrogen-bonded Turntrans-109-49.9-175-65.6-94.4000113Q687 S690 W691 L694 L725 L726 I817 Y818 L832Q687-F820 WeakPolarHBondContact CG-O 3.35Å; Q687-F820 PolarHBondContact NE2-O 3.21Å; S690-F820 VanDerWaalsContact C-CE1 3.45Å; S690-F820 VanDerWaalsContact O-CE1 3.3Å; S690-F820 WeakPolarHBondContact O-CE1 3.46Å; W691-F820 AromaticContact CD2-CD1 3.81Å; W691-F820 HydrophobicContact CD2-CD1 3.81Å; W691-F820 HydrophobicContact CD2-CE1 4.5Å; W691-F820 AromaticContact CE2-CD1 3.84Å; W691-F820 HydrophobicContact CE3-CD1 4.07Å; W691-F820 HydrophobicContact CE3-CE1 4.49Å; W691-F820 HydrophobicContact CG-CD1 4.24Å; W691-F820 HydrophobicContact CH2-CD1 4.35Å; W691-F820 HydrophobicContact CZ2-CB 4Å; W691-F820 HydrophobicContact CZ2-CD1 4.13Å; W691-F820 HydrophobicContact CZ3-CD1 4.33Å; W691-F820 PolarHBondContact NE1-O 3.4Å; L694-F820 HydrophobicContact CB-CE1 3.91Å; L694-F820 HydrophobicContact CB-CZ 4.39Å; L694-F820 HydrophobicContact CD2-CE1 4.04Å; L725-F820 HydrophobicContact CB-CE2 4.16Å; L725-F820 HydrophobicContact CB-CZ 4.37Å; L726-F820 HydrophobicContact CD2-CD2 4.01Å; L726-F820 HydrophobicContact CD2-CE2 3.44Å; L726-F820 VanDerWaalsContact CD2-CE2 3.44Å; L726-F820 HydrophobicContact CD2-CZ 4.15Å; L726-F820 HydrophobicContact CG-CE2 3.98Å; L726-F820 HydrophobicContact CG-CZ 4.44Å; I817-F820 WeakPolarHBondContact O-CA 3.46Å; I817-F820 WeakPolarHBondContact O-CB 3.27Å; I817-F820 PolarHBondContact O-N 3.29Å; Y818-F820 PolarHBondContact O-N 2.95Å; F820-L832 HydrophobicContact CB-CD1 3.74Å; F820-L832 HydrophobicContact CD1-CD1 4.26Å; F820-L832 HydrophobicContact CD1-CD2 3.97Å; F820-L832 HydrophobicContact CD2-CD1 4.14Å; F820-L832 HydrophobicContact CE1-CD2 4.02Å; F820-L832 HydrophobicContact CG-CD1 3.8Å; F820-L832 HydrophobicContact CG-CD2 4.23Å; F820-L832 HydrophobicContact CZ-CD2 4.34Å
821L86.1Confident76.9Confident22 Ų2251.1 Ų51.112%0.11529%0.286CS..  trans-156.2150.1-179.765.4160.8000110.9W691 I817 V823 N825 I828 M829 L832W691-L821 HydrophobicContact CZ2-CD2 4.31Å; I817-L821 PolarHBondContact O-N 3Å; L821-V823 WeakPolarHBondContact CD1-O 3.27Å; L821-N825 HydrophobicContact CD1-CB 3.91Å; L821-I828 HydrophobicContact CD1-CG2 4.24Å; L821-I828 HydrophobicContact CD2-CG2 3.94Å; L821-M829 HydrophobicContact CD1-CE 4.3Å; L821-M829 HydrophobicContact CD1-CG 4.09Å; L821-M829 HydrophobicContact CG-CE 4.3Å; L821-M829 HydrophobicContact CG-CG 4.49Å; L821-L832 HydrophobicContact CD2-CD1 3.64Å
822T79.8Confident78.5Confident59 Ų5949.7 Ų49.736%0.36228%0.276SS..  trans-112.4-17.8174.352.50000112.8L676 L682 Y818L676-T822 HydrophobicContact CD1-CG2 4.39Å; L676-T822 HydrophobicContact CD2-CG2 4.02Å; L682-T822 HydrophobicContact CB-CG2 4.06Å; L682-T822 HydrophobicContact CD2-CG2 4.38Å; Y818-T822 HydrophobicContact CD1-CG2 4.25Å; Y818-T822 HydrophobicContact CG-CG2 4.36Å
823V70.8Confident79.5Confident107 Ų10748.1 Ų48.165%0.64827%0.269SS*.SBendtrans-80.1133176.3-179.70000109.2L821 N825 M829L821-V823 WeakPolarHBondContact CD1-O 3.27Å; V823-N825 PolarHBondContact O-N 3.22Å; V823-M829 WeakPolarHBondContact O-CE 3.43Å
824F62.5Low80.3Confident139 Ų13952.7 Ų52.761%0.6129%0.291SS*.  trans-60121.3-179.3-175.2-108.5000111.4P826 M829F824-P826 HydrophobicContact CE1-CB 4.1Å; F824-P826 HydrophobicContact CE1-CG 3.88Å; F824-P826 HydrophobicContact CZ-CB 3.83Å; F824-P826 HydrophobicContact CZ-CG 4.15Å; F824-M829 HydrophobicContact CD2-SD 3.84Å; F824-M829 HydrophobicContact CE2-SD 4.38Å
825N71.9Confident81.2Confident58 Ų5852.7 Ų52.731%0.3129%0.285SS..  trans-144.492.2172.6-173.8-47.6000109L821 V823 F827 I828 M829L821-N825 HydrophobicContact CD1-CB 3.91Å; V823-N825 PolarHBondContact O-N 3.22Å; N825-F827 PolarHBondContact O-N 3.11Å; N825-F827 VanDerWaalsContact O-N 3.09Å; N825-I828 HydrophobicContact CB-CB 4.26Å; N825-I828 HydrophobicContact CB-CD1 4.47Å; N825-I828 WeakPolarHBondContact ND2-CD1 3.4Å; N825-I828 PolarHBondContact O-N 3.06Å; N825-I828 VanDerWaalsContact O-N 3.13Å; N825-I828 WeakPolarHBondContact OD1-CG1 3.49Å; N825-I828 PolarHBondContact OD1-N 3.01Å; N825-M829 VanDerWaalsContact O-CB 3.3Å; N825-M829 WeakPolarHBondContact O-CB 3.37Å; N825-M829 WeakPolarHBondContact O-CG 3.5Å; N825-M829 PolarHBondContact O-N 3.2Å
826P66.1Low81.8Confident70 Ų7052.5 Ų52.546%0.45528%0.279SS..Hα-helixtrans-58.9-35.4-164.720.4-31.3000112.5F824 G830F824-P826 HydrophobicContact CE1-CB 4.1Å; F824-P826 HydrophobicContact CE1-CG 3.88Å; F824-P826 HydrophobicContact CZ-CB 3.83Å; F824-P826 HydrophobicContact CZ-CG 4.15Å; P826-G830 PolarHBondContact O-N 3.29Å
827F76.6Confident82.1Confident182 Ų18253.5 Ų53.580%0.79829%0.285SS*.Hα-helixtrans-70.9-45.3179.6-62.6-71.5000113N825 G831N825-F827 PolarHBondContact O-N 3.11Å; N825-F827 VanDerWaalsContact O-N 3.09Å; F827-G831 PolarHBondContact O-N 2.7Å
828I83.8Confident82.1Confident71 Ų7154.8 Ų54.836%0.36429%0.292SS..Hα-helixtrans-69-45.7178.5-64.2178.6000110.2W691 L821 N825 G831 L832W691-I828 HydrophobicContact CH2-CG2 3.72Å; W691-I828 HydrophobicContact CZ2-CG2 4.25Å; L821-I828 HydrophobicContact CD1-CG2 4.24Å; L821-I828 HydrophobicContact CD2-CG2 3.94Å; N825-I828 HydrophobicContact CB-CB 4.26Å; N825-I828 HydrophobicContact CB-CD1 4.47Å; N825-I828 WeakPolarHBondContact ND2-CD1 3.4Å; N825-I828 PolarHBondContact O-N 3.06Å; N825-I828 VanDerWaalsContact O-N 3.13Å; N825-I828 WeakPolarHBondContact OD1-CG1 3.49Å; N825-I828 PolarHBondContact OD1-N 3.01Å; I828-G831 PolarHBondContact O-N 3.04Å; I828-L832 HydrophobicContact CG2-CD1 4.28Å; I828-L832 WeakPolarHBondContact O-CG 3.45Å; I828-L832 PolarHBondContact O-N 3.03Å
829M81.1Confident82.4Confident17 Ų1751 Ų518%0.08428%0.277CS..Hα-helixtrans-59.5-48.9178.7-64.4-169.2148.500111.1I817 L821 V823 F824 N825 G831 L832 M833I817-M829 HydrophobicContact CD1-CB 3.51Å; I817-M829 HydrophobicContact CD1-CE 3.4Å; I817-M829 VanDerWaalsContact CD1-CE 3.4Å; I817-M829 HydrophobicContact CD1-CG 3.18Å; I817-M829 HydrophobicContact CD1-SD 3.5Å; I817-M829 WeakPolarHBondContact CD1-SD 3.48Å; I817-M829 HydrophobicContact CG1-CE 4.42Å; L821-M829 HydrophobicContact CD1-CE 4.3Å; L821-M829 HydrophobicContact CD1-CG 4.09Å; L821-M829 HydrophobicContact CG-CE 4.3Å; L821-M829 HydrophobicContact CG-CG 4.49Å; V823-M829 WeakPolarHBondContact O-CE 3.43Å; F824-M829 HydrophobicContact CD2-SD 3.84Å; F824-M829 HydrophobicContact CE2-SD 4.38Å; N825-M829 VanDerWaalsContact O-CB 3.3Å; N825-M829 WeakPolarHBondContact O-CB 3.37Å; N825-M829 WeakPolarHBondContact O-CG 3.5Å; N825-M829 PolarHBondContact O-N 3.2Å; M829-G831 VanDerWaalsContact C-N 3.35Å; M829-G831 PolarHBondContact O-N 3.34Å; M829-L832 PolarHBondContact O-N 2.97Å; M829-M833 PolarHBondContact O-N 3.39Å; M829-M833 VanDerWaalsContact O-N 3.13Å
830G79.9Confident82.6Confident33 Ų3350.6 Ų50.634%0.3427%0.274SS..Hα-helixtrans-60.1-41.8174.700000112.7P826 M833 M834P826-G830 PolarHBondContact O-N 3.29Å; G830-M833 PolarHBondContact O-N 3.03Å; G830-M834 WeakPolarHBondContact O-CG 3.43Å; G830-M834 PolarHBondContact O-N 3.43Å
831G85.9Confident82.6Confident38 Ų3851.1 Ų51.139%0.39228%0.276SS..Hα-helixtrans-61.7-43176.500000113.8F827 I828 M829 M833 M834 W835F827-G831 PolarHBondContact O-N 2.7Å; I828-G831 PolarHBondContact O-N 3.04Å; M829-G831 VanDerWaalsContact C-N 3.35Å; M829-G831 PolarHBondContact O-N 3.34Å; G831-M833 VanDerWaalsContact C-N 3.27Å; G831-M833 PolarHBondContact O-N 3.25Å; G831-M834 PolarHBondContact O-N 2.76Å; G831-W835 PolarHBondContact O-N 3.05Å
832L89Confident83Confident5 Ų550.1 Ų50.13%0.02627%0.271CS..Hα-helixtrans-62.2-37.1174.9-71.2171.8000111.7W691 L694 L726 I817 F820 L821 I828 M829 W835 K836W691-L832 HydrophobicContact CH2-CD1 4.36Å; W691-L832 HydrophobicContact CH2-CD2 4.36Å; W691-L832 HydrophobicContact CZ3-CD2 4.32Å; L694-L832 HydrophobicContact CD2-CD2 3.48Å; L694-L832 VanDerWaalsContact CD2-CD2 3.48Å; L726-L832 HydrophobicContact CD2-CB 4.17Å; I817-L832 HydrophobicContact CB-CD1 4.23Å; I817-L832 HydrophobicContact CG2-CB 3.81Å; I817-L832 HydrophobicContact CG2-CD1 3.82Å; I817-L832 HydrophobicContact CG2-CG 4.48Å; F820-L832 HydrophobicContact CB-CD1 3.74Å; F820-L832 HydrophobicContact CD1-CD1 4.26Å; F820-L832 HydrophobicContact CD1-CD2 3.97Å; F820-L832 HydrophobicContact CD2-CD1 4.14Å; F820-L832 HydrophobicContact CE1-CD2 4.02Å; F820-L832 HydrophobicContact CG-CD1 3.8Å; F820-L832 HydrophobicContact CG-CD2 4.23Å; F820-L832 HydrophobicContact CZ-CD2 4.34Å; L821-L832 HydrophobicContact CD2-CD1 3.64Å; I828-L832 HydrophobicContact CG2-CD1 4.28Å; I828-L832 WeakPolarHBondContact O-CG 3.45Å; I828-L832 PolarHBondContact O-N 3.03Å; M829-L832 PolarHBondContact O-N 2.97Å; L832-W835 WeakPolarHBondContact O-CB 3.33Å; L832-W835 PolarHBondContact O-N 2.85Å; L832-K836 PolarHBondContact O-N 3.27Å
833M83.3Confident83.7Confident13 Ų1347.9 Ų47.96%0.06426%0.257CS..Hα-helixtrans-73.9-40.3178.2-76.7-57131.700114L726 I806 F812 S816 I817 M829 G830 G831 W835 K836 V837L726-M833 HydrophobicContact CD2-CE 4.05Å; I806-M833 HydrophobicContact CD1-CB 4.49Å; F812-M833 HydrophobicContact CD2-CG 3.59Å; F812-M833 HydrophobicContact CD2-SD 3.72Å; F812-M833 HydrophobicContact CE1-CG 4.28Å; F812-M833 HydrophobicContact CE2-CE 3.4Å; F812-M833 VanDerWaalsContact CE2-CE 3.4Å; F812-M833 HydrophobicContact CE2-CG 3.19Å; F812-M833 HydrophobicContact CE2-SD 3.11Å; F812-M833 WeakPolarHBondContact CE2-SD 3.3Å; F812-M833 HydrophobicContact CG-CG 4.33Å; F812-M833 HydrophobicContact CZ-CE 3.66Å; F812-M833 HydrophobicContact CZ-CG 3.58Å; F812-M833 HydrophobicContact CZ-SD 3.89Å; S816-M833 VanDerWaalsContact OG-CE 3.24Å; S816-M833 WeakPolarHBondContact OG-CE 3.2Å; I817-M833 HydrophobicContact CB-CE 4.44Å; I817-M833 HydrophobicContact CG2-CE 3.23Å; I817-M833 HydrophobicContact CG2-CG 4.49Å; M829-M833 PolarHBondContact O-N 3.39Å; M829-M833 VanDerWaalsContact O-N 3.13Å; G830-M833 PolarHBondContact O-N 3.03Å; G831-M833 VanDerWaalsContact C-N 3.27Å; G831-M833 PolarHBondContact O-N 3.25Å; M833-W835 PolarHBondContact O-N 3.46Å; M833-K836 HydrophobicContact CE-CD 4.26Å; M833-K836 WeakPolarHBondContact O-CB 3.48Å; M833-K836 PolarHBondContact O-N 3.39Å; M833-K836 VanDerWaalsContact O-N 3.13Å; M833-K836 HydrophobicContact SD-CB 4.31Å; M833-K836 HydrophobicContact SD-CD 3.86Å; M833-V837 PolarHBondContact O-N 3.39Å; M833-V837 VanDerWaalsContact O-N 3.1Å
834M84.4Confident84.9Confident123 Ų12342.8 Ų42.861%0.60623%0.226SC*.Hα-helixtrans-55.3-43.7168.2-71.2-178.772.300110G830 G831 K836 V837 I838G830-M834 WeakPolarHBondContact O-CG 3.43Å; G830-M834 PolarHBondContact O-N 3.43Å; G831-M834 PolarHBondContact O-N 2.76Å; M834-K836 PolarHBondContact O-N 2.88Å; M834-V837 PolarHBondContact O-N 3.21Å; M834-I838 WeakPolarHBondContact O-CB 3.28Å; M834-I838 WeakPolarHBondContact O-CD1 3.39Å; M834-I838 WeakPolarHBondContact O-CG1 3.2Å; M834-I838 PolarHBondContact O-N 3.13Å
835W89.4Confident86.3Confident51 Ų5136.6 Ų36.619%0.19320%0.199CC..Hα-helixtrans-60.4-42.3176.7-169.2-108.3000113.2L694 I698 L719 G831 L832 M833 V837 I838 I839 I842L694-W835 HydrophobicContact CD1-CD2 4.49Å; L694-W835 HydrophobicContact CD1-CG 3.94Å; I698-W835 HydrophobicContact CD1-CH2 3.56Å; I698-W835 HydrophobicContact CD1-CZ2 4.05Å; I698-W835 HydrophobicContact CD1-CZ3 4.3Å; I698-W835 HydrophobicContact CG1-CH2 3.71Å; I698-W835 HydrophobicContact CG1-CZ2 3.85Å; L719-W835 HydrophobicContact CD2-CZ2 4.34Å; G831-W835 PolarHBondContact O-N 3.05Å; L832-W835 WeakPolarHBondContact O-CB 3.33Å; L832-W835 PolarHBondContact O-N 2.85Å; M833-W835 PolarHBondContact O-N 3.46Å; W835-V837 VanDerWaalsContact C-N 3.33Å; W835-V837 PolarHBondContact O-N 3.15Å; W835-I838 HydrophobicContact CZ3-CG2 4.48Å; W835-I838 PolarHBondContact O-N 3.31Å; W835-I839 WeakPolarHBondContact O-CG1 3.46Å; W835-I839 PolarHBondContact O-N 3.35Å; W835-I842 HydrophobicContact CH2-CD1 4.29Å
836K89.1Confident87.3Confident21 Ų2134 Ų349%0.09119%0.185CC..Hα-helixtrans-55.2-46.9174.5-172.5-177.1178.8171.30111.9Y723 L726 E731 L832 M833 M834 I838 P840Y723-K836 HydrophobicContact CD2-CG 4.12Å; Y723-K836 HydrophobicContact CE2-CG 3.71Å; Y723-K836 WeakPolarHBondContact CE2-O 3.33Å; L726-K836 HydrophobicContact CB-CB 4.32Å; L726-K836 HydrophobicContact CB-CD 4.08Å; L726-K836 HydrophobicContact CB-CG 4.13Å; L726-K836 HydrophobicContact CD1-CB 4.03Å; L726-K836 WeakPolarHBondContact O-CD 3.42Å; L726-K836 WeakPolarHBondContact O-CE 3.3Å; L726-K836 PolarHBondContact O-NZ 3.11Å; E731-K836 IonicContact OE1-NZ 3.21Å; L832-K836 PolarHBondContact O-N 3.27Å; M833-K836 HydrophobicContact CE-CD 4.26Å; M833-K836 WeakPolarHBondContact O-CB 3.48Å; M833-K836 PolarHBondContact O-N 3.39Å; M833-K836 VanDerWaalsContact O-N 3.13Å; M833-K836 HydrophobicContact SD-CB 4.31Å; M833-K836 HydrophobicContact SD-CD 3.86Å; M834-K836 PolarHBondContact O-N 2.88Å; K836-I838 VanDerWaalsContact C-N 3.35Å; K836-P840 VanDerWaalsContact O-CD 3.29Å; K836-P840 WeakPolarHBondContact O-CD 3.39Å
837V87.3Confident88.6Confident25 Ų2530.9 Ų30.915%0.15217%0.165CC..Hα-helixtrans-67.8-34.3179.61760000111.9F800 I806 M833 M834 W835 P840 F841F800-V837 HydrophobicContact CD2-CG1 3.93Å; F800-V837 HydrophobicContact CE2-CG1 4.21Å; I806-V837 HydrophobicContact CD1-CG2 3.86Å; I806-V837 HydrophobicContact CG1-CG2 4.5Å; M833-V837 PolarHBondContact O-N 3.39Å; M833-V837 VanDerWaalsContact O-N 3.1Å; M834-V837 PolarHBondContact O-N 3.21Å; W835-V837 VanDerWaalsContact C-N 3.33Å; W835-V837 PolarHBondContact O-N 3.15Å; V837-P840 WeakPolarHBondContact O-CD 3.1Å; V837-F841 HydrophobicContact CG1-CE1 4.31Å; V837-F841 HydrophobicContact CG1-CZ 4.47Å; V837-F841 WeakPolarHBondContact O-CD1 3.34Å
838I89.4Confident89.2Confident28 Ų2823 Ų2314%0.14413%0.13CC..Hα-helixtrans-71.2-30.9-178.2-68.8171.6000112.5M834 W835 K836 F841 I842 F906 L910M834-I838 WeakPolarHBondContact O-CB 3.28Å; M834-I838 WeakPolarHBondContact O-CD1 3.39Å; M834-I838 WeakPolarHBondContact O-CG1 3.2Å; M834-I838 PolarHBondContact O-N 3.13Å; W835-I838 HydrophobicContact CZ3-CG2 4.48Å; W835-I838 PolarHBondContact O-N 3.31Å; K836-I838 VanDerWaalsContact C-N 3.35Å; I838-F841 WeakPolarHBondContact O-CA 3.23Å; I838-F841 WeakPolarHBondContact O-CB 3.29Å; I838-F841 PolarHBondContact O-N 3.46Å; I838-I842 HydrophobicContact CG2-CD1 3.76Å; I838-I842 HydrophobicContact CG2-CG1 3.93Å; I838-I842 PolarHBondContact O-N 3.26Å; I838-F906 HydrophobicContact CB-CZ 4.47Å; I838-F906 HydrophobicContact CD1-CE2 4.07Å; I838-F906 HydrophobicContact CD1-CZ 3.82Å; I838-F906 HydrophobicContact CG1-CE1 4.33Å; I838-F906 HydrophobicContact CG1-CE2 4.31Å; I838-F906 HydrophobicContact CG1-CZ 3.59Å; I838-F906 HydrophobicContact CG2-CZ 4.22Å; I838-L910 HydrophobicContact CG2-CD1 4.19Å
839I92.6Very high89.4Confident0 Ų020.6 Ų20.60%012%0.118CC..Hα-helixtrans-53.4-54.6-177.1-75.7163.5000113L719 T722 Y723 W835 F841 I842 I843L719-I839 HydrophobicContact CB-CG1 4.34Å; L719-I839 HydrophobicContact CB-CG2 3.8Å; L719-I839 HydrophobicContact CD1-CG2 4.44Å; L719-I839 HydrophobicContact CD2-CG1 4.3Å; T722-I839 HydrophobicContact CG2-CD1 4.39Å; Y723-I839 HydrophobicContact CD2-CB 4.06Å; Y723-I839 HydrophobicContact CD2-CD1 4.01Å; Y723-I839 HydrophobicContact CD2-CG2 3.89Å; W835-I839 WeakPolarHBondContact O-CG1 3.46Å; W835-I839 PolarHBondContact O-N 3.35Å; I839-F841 VanDerWaalsContact C-N 3.26Å; I839-F841 PolarHBondContact O-N 3.05Å; I839-I842 PolarHBondContact O-N 2.88Å; I839-I843 HydrophobicContact CG2-CD1 4.34Å; I839-I843 PolarHBondContact O-N 3.19Å
840P93.4Very high89.8Confident0 Ų019.8 Ų19.80%011%0.114CC..Hα-helixtrans-55.6-36.6173.2-24.929.1000114.4Y723 F734 L738 A799 T803 K836 V837 I843 V844Y723-P840 HydrophobicContact CE2-CG 4.27Å; F734-P840 HydrophobicContact CD1-CG 4.49Å; F734-P840 HydrophobicContact CE1-CB 4.22Å; F734-P840 HydrophobicContact CE1-CG 4.43Å; L738-P840 HydrophobicContact CD2-CB 3.95Å; A799-P840 HydrophobicContact CB-CB 3.72Å; T803-P840 HydrophobicContact CG2-CB 4.32Å; T803-P840 HydrophobicContact CG2-CG 3.3Å; K836-P840 VanDerWaalsContact O-CD 3.29Å; K836-P840 WeakPolarHBondContact O-CD 3.39Å; V837-P840 WeakPolarHBondContact O-CD 3.1Å; P840-I843 WeakPolarHBondContact O-CB 3.49Å; P840-I843 PolarHBondContact O-N 3.12Å; P840-V844 WeakPolarHBondContact O-CG2 3.34Å; P840-V844 PolarHBondContact O-N 2.89Å
841F93Very high90.2Very high12 Ų1218.3 Ų18.35%0.05310%0.098CC..Hα-helixtrans-67.9-40.1-179.7-72.733.8000110.2I796 A799 F800 V837 I838 I839 I843 V844 M845 F906 L910I796-F841 HydrophobicContact CD1-CB 4.31Å; I796-F841 HydrophobicContact CD1-CD2 4.47Å; I796-F841 HydrophobicContact CD1-CG 4.31Å; I796-F841 HydrophobicContact CG2-CD2 3.99Å; I796-F841 HydrophobicContact CG2-CE1 4.42Å; I796-F841 HydrophobicContact CG2-CE2 3.78Å; I796-F841 HydrophobicContact CG2-CG 4.45Å; I796-F841 HydrophobicContact CG2-CZ 4Å; A799-F841 HydrophobicContact CB-CD1 3.94Å; A799-F841 HydrophobicContact CB-CE1 4.13Å; F800-F841 HydrophobicContact CB-CE1 3.79Å; F800-F841 HydrophobicContact CB-CZ 3.73Å; F800-F841 HydrophobicContact CD2-CE1 4.25Å; F800-F841 AromaticContact CD2-CZ 3.78Å; F800-F841 HydrophobicContact CD2-CZ 3.78Å; F800-F841 HydrophobicContact CG-CZ 4.18Å; V837-F841 HydrophobicContact CG1-CE1 4.31Å; V837-F841 HydrophobicContact CG1-CZ 4.47Å; V837-F841 WeakPolarHBondContact O-CD1 3.34Å; I838-F841 WeakPolarHBondContact O-CA 3.23Å; I838-F841 WeakPolarHBondContact O-CB 3.29Å; I838-F841 PolarHBondContact O-N 3.46Å; I839-F841 VanDerWaalsContact C-N 3.26Å; I839-F841 PolarHBondContact O-N 3.05Å; F841-I843 VanDerWaalsContact C-N 3.28Å; F841-I843 PolarHBondContact O-N 3.46Å; F841-V844 PolarHBondContact O-N 3.01Å; F841-M845 VanDerWaalsContact O-CB 3.28Å; F841-M845 WeakPolarHBondContact O-CB 3.33Å; F841-M845 VanDerWaalsContact O-CG 3.24Å; F841-M845 WeakPolarHBondContact O-CG 3.34Å; F841-M845 PolarHBondContact O-N 3.26Å; F841-F906 AromaticContact CD2-CD1 3.97Å; F841-F906 HydrophobicContact CD2-CD1 3.97Å; F841-F906 AromaticContact CD2-CE1 3.6Å; F841-F906 HydrophobicContact CD2-CE1 3.6Å; F841-F906 HydrophobicContact CE2-CD1 4.18Å; F841-F906 HydrophobicContact CE2-CE1 4.13Å; F841-F906 HydrophobicContact CG-CE1 4.49Å; F841-L910 HydrophobicContact CB-CD2 3.51Å; F841-L910 HydrophobicContact CD2-CD2 4.44Å
842I94.1Very high90.2Very high1 Ų117.9 Ų17.91%0.0059%0.086CC..Hα-helixtrans-58.5-42.9173.8-65.3168.8000110.1I715 L719 W835 I838 I839 M845 C846 L910 T914 L917I715-I842 HydrophobicContact CG2-CG2 4.33Å; L719-I842 HydrophobicContact CD1-CB 3.93Å; L719-I842 HydrophobicContact CD1-CD1 4.31Å; L719-I842 HydrophobicContact CD1-CG2 3.68Å; L719-I842 HydrophobicContact CD2-CD1 4.46Å; W835-I842 HydrophobicContact CH2-CD1 4.29Å; I838-I842 HydrophobicContact CG2-CD1 3.76Å; I838-I842 HydrophobicContact CG2-CG1 3.93Å; I838-I842 PolarHBondContact O-N 3.26Å; I839-I842 PolarHBondContact O-N 2.88Å; I842-M845 PolarHBondContact O-N 2.97Å; I842-C846 WeakPolarHBondContact O-CB 3.47Å; I842-C846 PolarHBondContact O-N 3.47Å; I842-C846 PolarHBondContact O-SG 3.34Å; I842-L910 HydrophobicContact CG1-CD1 3.71Å; I842-T914 HydrophobicContact CG2-CG2 4.21Å; I842-L917 HydrophobicContact CG2-CD1 4.14Å
843I94.6Very high89.9Confident11 Ų1118.8 Ų18.86%0.0569%0.091CC..Hα-helixtrans-60.9-48.7178.7-65.8166.5000111.2L719 P735 L738 M742 I839 P840 F841 T847L719-I843 HydrophobicContact CD1-CG1 4.46Å; P735-I843 HydrophobicContact CB-CD1 4.22Å; L738-I843 HydrophobicContact CD2-CG2 4.46Å; L738-I843 HydrophobicContact CG-CG2 4.47Å; M742-I843 HydrophobicContact CG-CG2 4.12Å; I839-I843 HydrophobicContact CG2-CD1 4.34Å; I839-I843 PolarHBondContact O-N 3.19Å; P840-I843 WeakPolarHBondContact O-CB 3.49Å; P840-I843 PolarHBondContact O-N 3.12Å; F841-I843 VanDerWaalsContact C-N 3.28Å; F841-I843 PolarHBondContact O-N 3.46Å; I843-T847 PolarHBondContact O-N 3.43Å; I843-T847 VanDerWaalsContact O-N 3.16Å; I843-T847 PolarHBondContact O-OG1 3.39Å
844V95.2Very high89.8Confident0 Ų018.6 Ų18.60%09%0.092CC..Hα-helixtrans-64.9-42.1178.2177.70000111.1L738 M742 F792 F795 I796 A799 P840 F841 T847 F848L738-V844 HydrophobicContact CD1-CG2 4.2Å; L738-V844 HydrophobicContact CD2-CG2 4.04Å; L738-V844 HydrophobicContact CG-CG2 4.47Å; M742-V844 HydrophobicContact SD-CG1 4.48Å; M742-V844 HydrophobicContact SD-CG2 4.16Å; F792-V844 HydrophobicContact CD2-CG1 3.84Å; F792-V844 HydrophobicContact CE2-CG1 3.98Å; F795-V844 HydrophobicContact CB-CG1 3.83Å; F795-V844 HydrophobicContact CB-CG2 4.16Å; I796-V844 HydrophobicContact CD1-CB 3.76Å; I796-V844 HydrophobicContact CD1-CG1 3.63Å; I796-V844 HydrophobicContact CG1-CG1 3.96Å; A799-V844 HydrophobicContact CB-CG2 4.23Å; P840-V844 WeakPolarHBondContact O-CG2 3.34Å; P840-V844 PolarHBondContact O-N 2.89Å; F841-V844 PolarHBondContact O-N 3.01Å; V844-T847 WeakPolarHBondContact O-CB 3.38Å; V844-T847 PolarHBondContact O-N 3.27Å; V844-F848 PolarHBondContact O-N 3.47Å
845M92.7Very high89.6Confident10 Ų1013 Ų135%0.0497%0.065CC..Hα-helixtrans-63.7-45.1178-78.1-63.2-71.600113F792 I796 F841 I842 T847 F848 E849 L907 L910 S911 T914F792-M845 HydrophobicContact CE1-SD 4.43Å; F792-M845 HydrophobicContact CE2-CG 4.29Å; F792-M845 HydrophobicContact CE2-SD 3.33Å; F792-M845 WeakPolarHBondContact CE2-SD 3.46Å; F792-M845 HydrophobicContact CZ-CG 4.5Å; F792-M845 HydrophobicContact CZ-SD 3.2Å; F792-M845 WeakPolarHBondContact CZ-SD 3.45Å; I796-M845 HydrophobicContact CD1-CG 4.44Å; F841-M845 VanDerWaalsContact O-CB 3.28Å; F841-M845 WeakPolarHBondContact O-CB 3.33Å; F841-M845 VanDerWaalsContact O-CG 3.24Å; F841-M845 WeakPolarHBondContact O-CG 3.34Å; F841-M845 PolarHBondContact O-N 3.26Å; I842-M845 PolarHBondContact O-N 2.97Å; M845-T847 PolarHBondContact O-N 2.85Å; M845-F848 PolarHBondContact O-N 2.92Å; M845-E849 WeakPolarHBondContact O-CB 3.49Å; M845-E849 PolarHBondContact O-N 2.79Å; M845-L907 HydrophobicContact CG-CD2 4.38Å; M845-L907 HydrophobicContact SD-CD2 3.99Å; M845-L910 HydrophobicContact CB-CD2 4.49Å; M845-L910 HydrophobicContact CG-CD2 3.62Å; M845-L910 HydrophobicContact CG-CG 4Å; M845-S911 VanDerWaalsContact CE-CA 3.41Å; M845-S911 VanDerWaalsContact CE-CB 3.5Å; M845-T914 HydrophobicContact CB-CG2 3.43Å; M845-T914 VanDerWaalsContact CB-CG2 3.43Å; M845-T914 HydrophobicContact CG-CG2 4.31Å
846C92.6Very high89.1Confident2 Ų212.1 Ų12.11%0.0146%0.063CC..Hα-helixtrans-60.5-36.2175.7-67.90000111L712 I842 T850 T918L712-C846 HydrophobicContact CD2-CB 3.64Å; I842-C846 WeakPolarHBondContact O-CB 3.47Å; I842-C846 PolarHBondContact O-N 3.47Å; I842-C846 PolarHBondContact O-SG 3.34Å; C846-T850 WeakPolarHBondContact O-CB 3.04Å; C846-T850 PolarHBondContact O-N 3.49Å; C846-T850 PolarHBondContact O-OG1 3.48Å; C846-T918 HydrophobicContact CB-CG2 4.31Å
847T92.4Very high88.6Confident6 Ų611.3 Ų11.34%0.0376%0.059CC..Hα-helixtrans-67.9-43.6176.2-55.10000111.4M742 W745 I746 I843 V844 M845 T850 I851M742-T847 HydrophobicContact CB-CG2 3.76Å; M742-T847 WeakPolarHBondContact CB-OG1 3.47Å; M742-T847 HydrophobicContact CG-CG2 4.17Å; M742-T847 WeakPolarHBondContact O-CG2 3.44Å; M742-T847 HydrophobicContact SD-CG2 3.81Å; W745-T847 HydrophobicContact CE3-CG2 3.73Å; W745-T847 HydrophobicContact CZ3-CG2 4.24Å; I746-T847 HydrophobicContact CD1-CG2 3.82Å; I746-T847 HydrophobicContact CG1-CG2 3.69Å; I843-T847 PolarHBondContact O-N 3.43Å; I843-T847 VanDerWaalsContact O-N 3.16Å; I843-T847 PolarHBondContact O-OG1 3.39Å; V844-T847 WeakPolarHBondContact O-CB 3.38Å; V844-T847 PolarHBondContact O-N 3.27Å; M845-T847 PolarHBondContact O-N 2.85Å; T847-T850 VanDerWaalsContact O-CB 3.26Å; T847-T850 WeakPolarHBondContact O-CB 3.39Å; T847-T850 PolarHBondContact O-N 2.93Å; T847-I851 HydrophobicContact CG2-CD1 4.33Å; T847-I851 WeakPolarHBondContact O-CG1 3.17Å; T847-I851 PolarHBondContact O-N 3.14Å
848F90.8Very high88.3Confident15 Ų1510.9 Ų10.97%0.0666%0.058CC..Hα-helixtrans-65.9-42.3177.5-169.6-119.8000112.5W745 F792 V844 M845 T850 I851 Q852 L862 V866W745-F848 HydrophobicContact CH2-CD2 4.15Å; F792-F848 HydrophobicContact CB-CD2 3.57Å; F792-F848 HydrophobicContact CB-CE2 3.57Å; F792-F848 HydrophobicContact CB-CG 4.1Å; F792-F848 HydrophobicContact CB-CZ 4.1Å; F792-F848 HydrophobicContact CD1-CD1 4.3Å; F792-F848 HydrophobicContact CD1-CE1 4.15Å; F792-F848 HydrophobicContact CD1-CE2 4.49Å; F792-F848 HydrophobicContact CD1-CZ 4.23Å; F792-F848 HydrophobicContact CD2-CB 3.53Å; F792-F848 AromaticContact CD2-CD1 3.88Å; F792-F848 HydrophobicContact CD2-CD1 3.88Å; F792-F848 AromaticContact CD2-CD2 3.86Å; F792-F848 HydrophobicContact CD2-CD2 3.86Å; F792-F848 HydrophobicContact CD2-CE1 4.5Å; F792-F848 HydrophobicContact CD2-CE2 4.47Å; F792-F848 AromaticContact CD2-CG 3.49Å; F792-F848 HydrophobicContact CD2-CG 3.49Å; F792-F848 VanDerWaalsContact CD2-CG 3.49Å; F792-F848 HydrophobicContact CE1-CD1 4.5Å; F792-F848 HydrophobicContact CE2-CB 3.93Å; F792-F848 HydrophobicContact CE2-CD1 4.11Å; F792-F848 HydrophobicContact CE2-CG 4.07Å; F792-F848 HydrophobicContact CG-CB 4.3Å; F792-F848 AromaticContact CG-CD1 3.98Å; F792-F848 HydrophobicContact CG-CD1 3.98Å; F792-F848 AromaticContact CG-CD2 3.75Å; F792-F848 HydrophobicContact CG-CD2 3.75Å; F792-F848 HydrophobicContact CG-CE1 4.14Å; F792-F848 AromaticContact CG-CE2 3.92Å; F792-F848 HydrophobicContact CG-CE2 3.92Å; F792-F848 AromaticContact CG-CG 3.76Å; F792-F848 HydrophobicContact CG-CG 3.76Å; F792-F848 HydrophobicContact CG-CZ 4.09Å; F792-F848 HydrophobicContact CZ-CD1 4.42Å; V844-F848 PolarHBondContact O-N 3.47Å; M845-F848 PolarHBondContact O-N 2.92Å; F848-T850 VanDerWaalsContact C-N 3.26Å; F848-T850 PolarHBondContact O-N 3Å; F848-I851 PolarHBondContact O-N 3.19Å; F848-Q852 WeakPolarHBondContact O-CB 3.42Å; F848-Q852 PolarHBondContact O-N 3.1Å; F848-L862 HydrophobicContact CE1-CB 4.13Å; F848-L862 HydrophobicContact CE1-CD1 4.29Å; F848-L862 HydrophobicContact CE2-CD1 4.23Å; F848-L862 HydrophobicContact CZ-CB 3.81Å; F848-L862 HydrophobicContact CZ-CD1 3.8Å; F848-L862 HydrophobicContact CZ-CD2 4.44Å; F848-L862 HydrophobicContact CZ-CG 4.25Å; F848-V866 HydrophobicContact CZ-CG2 4.49Å
849E88.3Confident87.6Confident21 Ų2112.1 Ų12.110%0.0987%0.069CC..Hα-helixtrans-59-40.9171.7-174.8173.2-167.100110.7F769 M845 Q852 V853 H915 T918F769-E849 HydrophobicContact CE1-CG 4.41Å; M845-E849 WeakPolarHBondContact O-CB 3.49Å; M845-E849 PolarHBondContact O-N 2.79Å; E849-Q852 WeakPolarHBondContact O-CB 3.3Å; E849-Q852 PolarHBondContact O-N 3.01Å; E849-V853 VanDerWaalsContact O-CG2 3.24Å; E849-V853 WeakPolarHBondContact O-CG2 3.29Å; E849-V853 PolarHBondContact O-N 3.16Å; E849-H915 WeakPolarHBondContact OE1-CA 3.38Å; E849-H915 IonicContact OE1-CE1 2.85Å; E849-H915 IonicContact OE1-CG 3.12Å; E849-H915 IonicContact OE1-ND1 3.67Å; E849-H915 PolarHBondContact OE1-ND1 3.37Å; E849-T918 PolarHBondContact OE1-OG1 3.2Å; E849-T918 PolarHBondContact OE2-OG1 3.45Å
850T88.5Confident86.9Confident0 Ų018.3 Ų18.30%09%0.092CC..Hα-helixtrans-60.4-47.7174.9-56.60000112.1L708 I746 F769 C846 T847 F848 Q852 V853 A854L708-T850 HydrophobicContact CD1-CG2 3.44Å; L708-T850 VanDerWaalsContact CD1-CG2 3.44Å; L708-T850 HydrophobicContact CD2-CG2 3.76Å; L708-T850 HydrophobicContact CG-CG2 3.63Å; I746-T850 HydrophobicContact CD1-CG2 3.8Å; I746-T850 HydrophobicContact CG1-CG2 4.01Å; I746-T850 HydrophobicContact CG2-CG2 3.92Å; F769-T850 WeakPolarHBondContact CZ-OG1 3.31Å; C846-T850 WeakPolarHBondContact O-CB 3.04Å; C846-T850 PolarHBondContact O-N 3.49Å; C846-T850 PolarHBondContact O-OG1 3.48Å; T847-T850 VanDerWaalsContact O-CB 3.26Å; T847-T850 WeakPolarHBondContact O-CB 3.39Å; T847-T850 PolarHBondContact O-N 2.93Å; F848-T850 VanDerWaalsContact C-N 3.26Å; F848-T850 PolarHBondContact O-N 3Å; T850-Q852 VanDerWaalsContact C-N 3.28Å; T850-Q852 PolarHBondContact O-N 3.26Å; T850-V853 PolarHBondContact O-N 3.06Å; T850-A854 WeakPolarHBondContact O-CB 3.18Å; T850-A854 PolarHBondContact O-N 3.15Å
851I87.9Confident86.3Confident3 Ų318.4 Ų18.42%0.0159%0.093CC..Hα-helixtrans-61.8-41.2177.9-70168000110W745 I746 E749 T847 F848 A854 T855W745-I851 HydrophobicContact CD2-CD1 3.38Å; W745-I851 HydrophobicContact CE3-CD1 3.68Å; W745-I851 HydrophobicContact CG-CD1 3.9Å; W745-I851 HydrophobicContact CH2-CD1 3.84Å; W745-I851 HydrophobicContact CZ2-CD1 3.55Å; W745-I851 HydrophobicContact CZ3-CD1 3.9Å; I746-I851 HydrophobicContact CG1-CG1 4.18Å; E749-I851 HydrophobicContact CG-CD1 4.28Å; T847-I851 HydrophobicContact CG2-CD1 4.33Å; T847-I851 WeakPolarHBondContact O-CG1 3.17Å; T847-I851 PolarHBondContact O-N 3.14Å; F848-I851 PolarHBondContact O-N 3.19Å; I851-A854 PolarHBondContact O-N 3.08Å; I851-T855 HydrophobicContact CG2-CG2 4.12Å; I851-T855 VanDerWaalsContact O-CB 3.27Å; I851-T855 WeakPolarHBondContact O-CB 3.39Å; I851-T855 WeakPolarHBondContact O-CG2 3.25Å; I851-T855 PolarHBondContact O-N 3.29Å; I851-T855 PolarHBondContact O-OG1 3.39Å
852Q85.9Confident85.7Confident28 Ų2817.9 Ų17.913%0.1319%0.091CC..Hα-helixtrans-60.5-49.8176.7-174.9-152.4-42.800111.7F848 E849 T850 T855 Q856 L857 S859 L862F848-Q852 WeakPolarHBondContact O-CB 3.42Å; F848-Q852 PolarHBondContact O-N 3.1Å; E849-Q852 WeakPolarHBondContact O-CB 3.3Å; E849-Q852 PolarHBondContact O-N 3.01Å; T850-Q852 VanDerWaalsContact C-N 3.28Å; T850-Q852 PolarHBondContact O-N 3.26Å; Q852-T855 PolarHBondContact O-N 3.07Å; Q852-T855 PolarHBondContact O-OG1 3.41Å; Q852-Q856 PolarHBondContact O-N 3.42Å; Q852-L857 HydrophobicContact CG-CB 4.01Å; Q852-L857 VanDerWaalsContact CG-O 3.28Å; Q852-L857 WeakPolarHBondContact CG-O 3.29Å; Q852-L857 PolarHBondContact NE2-O 3Å; Q852-L857 VanDerWaalsContact NE2-O 3.17Å; Q852-L857 PolarHBondContact O-N 3.35Å; Q852-S859 VanDerWaalsContact CD-CB 3.48Å; Q852-S859 VanDerWaalsContact NE2-CA 3.3Å; Q852-S859 VanDerWaalsContact NE2-CB 3.28Å; Q852-S859 VanDerWaalsContact OE1-CA 3.26Å; Q852-L862 HydrophobicContact CB-CD1 4.11Å; Q852-L862 HydrophobicContact CG-CD1 4.03Å
853V83.1Confident85.2Confident24 Ų2419.5 Ų19.515%0.14510%0.098CC..Hα-helixtrans-61.2-47.7177.5175.60000110.1I767 F769 I773 E849 T850 T855 Q856I767-V853 HydrophobicContact CG2-CG1 3.7Å; F769-V853 HydrophobicContact CD1-CG2 4.42Å; F769-V853 HydrophobicContact CE1-CG2 4.5Å; I773-V853 HydrophobicContact CD1-CB 4.44Å; I773-V853 HydrophobicContact CD1-CG1 4.3Å; I773-V853 HydrophobicContact CD1-CG2 4.11Å; E849-V853 VanDerWaalsContact O-CG2 3.24Å; E849-V853 WeakPolarHBondContact O-CG2 3.29Å; E849-V853 PolarHBondContact O-N 3.16Å; T850-V853 PolarHBondContact O-N 3.06Å; V853-T855 VanDerWaalsContact C-N 3.29Å; V853-T855 PolarHBondContact O-N 3.22Å; V853-Q856 PolarHBondContact O-N 3.22Å
854A81.3Confident84.9Confident9 Ų919.6 Ų19.67%0.07410%0.098CC..Hα-helixtrans-72-20.2-175.200000113.7Q750 L764 I767 T850 I851Q750-A854 VanDerWaalsContact NE2-CB 3.28Å; Q750-A854 PolarHBondContact NE2-O 3.44Å; L764-A854 HydrophobicContact CD2-CB 3.81Å; I767-A854 HydrophobicContact CD1-CB 4.1Å; T850-A854 WeakPolarHBondContact O-CB 3.18Å; T850-A854 PolarHBondContact O-N 3.15Å; I851-A854 PolarHBondContact O-N 3.08Å
855T78.9Confident84.6Confident7 Ų720.4 Ų20.44%0.04310%0.102CC..THydrogen-bonded Turntrans-103.24175.164.40000113.3L753 R779 I851 Q852 V853 L857L753-T855 HydrophobicContact CD1-CG2 3.57Å; L753-T855 HydrophobicContact CG-CG2 4.44Å; R779-T855 WeakPolarHBondContact CD-O 3.3Å; R779-T855 PolarHBondContact NE-O 3.25Å; I851-T855 HydrophobicContact CG2-CG2 4.12Å; I851-T855 VanDerWaalsContact O-CB 3.27Å; I851-T855 WeakPolarHBondContact O-CB 3.39Å; I851-T855 WeakPolarHBondContact O-CG2 3.25Å; I851-T855 PolarHBondContact O-N 3.29Å; I851-T855 PolarHBondContact O-OG1 3.39Å; Q852-T855 PolarHBondContact O-N 3.07Å; Q852-T855 PolarHBondContact O-OG1 3.41Å; V853-T855 VanDerWaalsContact C-N 3.29Å; V853-T855 PolarHBondContact O-N 3.22Å; T855-L857 VanDerWaalsContact C-N 3.3Å; T855-L857 PolarHBondContact O-N 2.84Å; T855-L857 VanDerWaalsContact OG1-CD1 3.27Å; T855-L857 WeakPolarHBondContact OG1-CD1 3.48Å; T855-L857 WeakPolarHBondContact OG1-CG 3.17Å
856Q79.6Confident84.4Confident32 Ų3220 Ų2015%0.1510%0.101CC..THydrogen-bonded Turntrans54.940.3-179.6-59.7178-12.400113.6K777 I778 R779 Q852 V853K777-Q856 WeakPolarHBondContact O-CB 3.45Å; K777-Q856 PolarHBondContact O-OE1 3.38Å; I778-Q856 WeakPolarHBondContact CA-O 3.41Å; R779-Q856 PolarHBondContact N-O 2.65Å; Q852-Q856 PolarHBondContact O-N 3.42Å; V853-Q856 PolarHBondContact O-N 3.22Å
857L79Confident84.3Confident3 Ų320.4 Ų20.42%0.01610%0.102CC..  trans-92.6153.9179.4-76.8173.1000112.5R779 L781 D785 Q852 T855 L862R779-L857 HydrophobicContact CG-CD2 4.04Å; R779-L857 VanDerWaalsContact CZ-CD2 3.45Å; L781-L857 HydrophobicContact CD2-CD2 4.28Å; D785-L857 WeakPolarHBondContact OD1-CD1 3.34Å; Q852-L857 HydrophobicContact CG-CB 4.01Å; Q852-L857 VanDerWaalsContact CG-O 3.28Å; Q852-L857 WeakPolarHBondContact CG-O 3.29Å; Q852-L857 PolarHBondContact NE2-O 3Å; Q852-L857 VanDerWaalsContact NE2-O 3.17Å; Q852-L857 PolarHBondContact O-N 3.35Å; T855-L857 VanDerWaalsContact C-N 3.3Å; T855-L857 PolarHBondContact O-N 2.84Å; T855-L857 VanDerWaalsContact OG1-CD1 3.27Å; T855-L857 WeakPolarHBondContact OG1-CD1 3.48Å; T855-L857 WeakPolarHBondContact OG1-CG 3.17Å; L857-L862 HydrophobicContact CB-CD1 4.12Å; L857-L862 HydrophobicContact CB-CG 4.47Å; L857-L862 HydrophobicContact CD1-CD1 3.76Å; L857-L862 HydrophobicContact CD1-CD2 3.97Å; L857-L862 HydrophobicContact CD1-CG 4.05Å
858S80.8Confident84.2Confident17 Ų1721.3 Ų21.312%0.11911%0.108CC..  trans-76.1126.2169.5-174.80000110.1R860 S861 L862S858-R860 PolarHBondContact O-N 3.32Å; S858-S861 PolarHBondContact O-N 3.05Å; S858-S861 VanDerWaalsContact O-N 3.08Å; S858-S861 PolarHBondContact O-OG 3.41Å; S858-L862 PolarHBondContact O-N 3.08Å
859S75.3Confident84.3Confident54 Ų5420.9 Ų20.938%0.37811%0.106SC..Hα-helixtrans-53.3-39.8175.357.20000111.4Q852 S861 L862 F863Q852-S859 VanDerWaalsContact CD-CB 3.48Å; Q852-S859 VanDerWaalsContact NE2-CA 3.3Å; Q852-S859 VanDerWaalsContact NE2-CB 3.28Å; Q852-S859 VanDerWaalsContact OE1-CA 3.26Å; S859-S861 PolarHBondContact O-N 3.06Å; S859-L862 PolarHBondContact O-N 3.12Å; S859-F863 WeakPolarHBondContact O-CB 3.44Å; S859-F863 PolarHBondContact O-N 2.97Å
860R77.9Confident84.5Confident129 Ų12920 Ų2049%0.48710%0.103SC..Hα-helixtrans-58.3-48.9179.2-55.4-179.8-163.1159.58.9111.1M3 S858 L862 F863 L864M3-R860 VanDerWaalsContact CE-NE 3.25Å; M3-R860 HydrophobicContact SD-CG 4.43Å; M3-R860 PolarHBondContact SD-NE 3.44Å; M3-R860 VanDerWaalsContact SD-NE 3.4Å; S858-R860 PolarHBondContact O-N 3.32Å; R860-L862 PolarHBondContact O-N 3.39Å; R860-F863 PolarHBondContact O-N 3.01Å; R860-L864 VanDerWaalsContact O-CG 3.26Å; R860-L864 WeakPolarHBondContact O-CG 3.31Å; R860-L864 PolarHBondContact O-N 3.41Å
861S80.2Confident84.6Confident2 Ų220.1 Ų20.11%0.01410%0.103CC..Hα-helixtrans-63.6-40.8-175.2680000113S858 S859 I865S858-S861 PolarHBondContact O-N 3.05Å; S858-S861 VanDerWaalsContact O-N 3.08Å; S858-S861 PolarHBondContact O-OG 3.41Å; S859-S861 PolarHBondContact O-N 3.06Å; S861-I865 WeakPolarHBondContact O-CG1 3.35Å; S861-I865 PolarHBondContact O-N 3.47Å
862L81.4Confident84.9Confident1 Ų122.3 Ų22.31%0.00512%0.117CC..Hα-helixtrans-71.5-41.4177.4-75.2178.8000112D785 S789 F848 Q852 L857 S858 S859 R860 L864 I865 V866D785-L862 HydrophobicContact CB-CD2 4.07Å; S789-L862 PolarHBondContact OG-O 2.87Å; F848-L862 HydrophobicContact CE1-CB 4.13Å; F848-L862 HydrophobicContact CE1-CD1 4.29Å; F848-L862 HydrophobicContact CE2-CD1 4.23Å; F848-L862 HydrophobicContact CZ-CB 3.81Å; F848-L862 HydrophobicContact CZ-CD1 3.8Å; F848-L862 HydrophobicContact CZ-CD2 4.44Å; F848-L862 HydrophobicContact CZ-CG 4.25Å; Q852-L862 HydrophobicContact CB-CD1 4.11Å; Q852-L862 HydrophobicContact CG-CD1 4.03Å; L857-L862 HydrophobicContact CB-CD1 4.12Å; L857-L862 HydrophobicContact CB-CG 4.47Å; L857-L862 HydrophobicContact CD1-CD1 3.76Å; L857-L862 HydrophobicContact CD1-CD2 3.97Å; L857-L862 HydrophobicContact CD1-CG 4.05Å; S858-L862 PolarHBondContact O-N 3.08Å; S859-L862 PolarHBondContact O-N 3.12Å; R860-L862 PolarHBondContact O-N 3.39Å; L862-L864 VanDerWaalsContact C-N 3.31Å; L862-L864 PolarHBondContact O-N 3.19Å; L862-I865 PolarHBondContact O-N 3.45Å; L862-I865 VanDerWaalsContact O-N 3.13Å; L862-V866 WeakPolarHBondContact O-CG2 3.4Å; L862-V866 PolarHBondContact O-N 3.27Å
863F82.8Confident85.3Confident36 Ų3621.1 Ų21.116%0.15811%0.111CC..Hα-helixtrans-62.7-37.2177.5-172.8-94.5000112F7 S859 R860 I865 V866 L867 M908F7-F863 HydrophobicContact CE1-CD1 4.18Å; F7-F863 HydrophobicContact CE1-CE1 4.02Å; S859-F863 WeakPolarHBondContact O-CB 3.44Å; S859-F863 PolarHBondContact O-N 2.97Å; R860-F863 PolarHBondContact O-N 3.01Å; F863-I865 VanDerWaalsContact C-N 3.32Å; F863-I865 PolarHBondContact O-N 3.15Å; F863-V866 WeakPolarHBondContact O-CB 3.4Å; F863-V866 PolarHBondContact O-N 3.09Å; F863-L867 WeakPolarHBondContact O-CB 3.41Å; F863-L867 PolarHBondContact O-N 3.17Å; F863-M908 HydrophobicContact CE2-CB 4.11Å; F863-M908 HydrophobicContact CZ-CB 3.74Å; F863-M908 HydrophobicContact CZ-CG 4.21Å
864L87.6Confident85.7Confident12 Ų1220 Ų206%0.06311%0.105CC..Hα-helixtrans-64.8-33.8174.3-66.5172000112.5F6 V461 V464 I465 R860 L862 L867 V868F6-L864 HydrophobicContact CE1-CD2 3.48Å; F6-L864 VanDerWaalsContact CE1-CD2 3.48Å; F6-L864 HydrophobicContact CZ-CD2 3.59Å; V461-L864 HydrophobicContact CG1-CB 4.14Å; V461-L864 HydrophobicContact CG1-CD2 4.05Å; V464-L864 HydrophobicContact CG1-CD1 4.19Å; I465-L864 HydrophobicContact CD1-CB 3.69Å; I465-L864 HydrophobicContact CG1-CB 3.58Å; I465-L864 HydrophobicContact CG1-CD1 3.94Å; I465-L864 HydrophobicContact CG1-CG 4.4Å; R860-L864 VanDerWaalsContact O-CG 3.26Å; R860-L864 WeakPolarHBondContact O-CG 3.31Å; R860-L864 PolarHBondContact O-N 3.41Å; L862-L864 VanDerWaalsContact C-N 3.31Å; L862-L864 PolarHBondContact O-N 3.19Å; L864-L867 HydrophobicContact CD2-CD2 4.42Å; L864-L867 WeakPolarHBondContact O-CB 3.34Å; L864-L867 PolarHBondContact O-N 3.16Å; L864-V868 WeakPolarHBondContact O-CG2 3.42Å; L864-V868 PolarHBondContact O-N 3.35Å; L864-V868 VanDerWaalsContact O-N 3.11Å
865I88.8Confident86.3Confident17 Ų1721.2 Ų21.29%0.08711%0.109CC..Hα-helixtrans-69.3-42.3174.1-62.4168.1000110.5I465 L781 S861 L862 F863 L867 V868 I869I465-I865 HydrophobicContact CD1-CG1 4.12Å; L781-I865 HydrophobicContact CD1-CD1 4.2Å; L781-I865 HydrophobicContact CD2-CD1 4.11Å; S861-I865 WeakPolarHBondContact O-CG1 3.35Å; S861-I865 PolarHBondContact O-N 3.47Å; L862-I865 PolarHBondContact O-N 3.45Å; L862-I865 VanDerWaalsContact O-N 3.13Å; F863-I865 VanDerWaalsContact C-N 3.32Å; F863-I865 PolarHBondContact O-N 3.15Å; I865-L867 VanDerWaalsContact C-N 3.3Å; I865-L867 PolarHBondContact O-N 2.95Å; I865-V868 PolarHBondContact O-N 3.16Å; I865-I869 HydrophobicContact CG2-CD1 4.22Å; I865-I869 WeakPolarHBondContact O-CG1 3.26Å; I865-I869 PolarHBondContact O-N 3.42Å; I865-I869 VanDerWaalsContact O-N 3.07Å
866V89.4Confident87.1Confident3 Ų323.8 Ų23.82%0.01812%0.121CC..Hα-helixtrans-58.6-45174.4169.60000110.5F792 V793 F848 L862 F863 V868 I869 S870 L907F792-V866 HydrophobicContact CD1-CG1 4.27Å; F792-V866 HydrophobicContact CD1-CG2 3.56Å; F792-V866 HydrophobicContact CE1-CG1 3.98Å; F792-V866 HydrophobicContact CE1-CG2 3.94Å; V793-V866 HydrophobicContact CG2-CB 4.4Å; V793-V866 HydrophobicContact CG2-CG1 3.88Å; V793-V866 HydrophobicContact CG2-CG2 4.23Å; F848-V866 HydrophobicContact CZ-CG2 4.49Å; L862-V866 WeakPolarHBondContact O-CG2 3.4Å; L862-V866 PolarHBondContact O-N 3.27Å; F863-V866 WeakPolarHBondContact O-CB 3.4Å; F863-V866 PolarHBondContact O-N 3.09Å; V866-V868 VanDerWaalsContact C-N 3.34Å; V866-V868 PolarHBondContact O-N 2.93Å; V866-I869 PolarHBondContact O-N 3.2Å; V866-S870 PolarHBondContact O-N 2.87Å; V866-S870 PolarHBondContact O-OG 2.99Å; V866-L907 HydrophobicContact CG1-CD1 4.45Å
867L89.8Confident87.7Confident9 Ų922.3 Ų22.35%0.04711%0.114CC..Hα-helixtrans-55.6-47.2175.6179.863.8000111.6H14 W457 V461 F863 L864 I865 I869 S870 D871 T904H14-L867 WeakPolarHBondContact NE2-CD1 3.08Å; W457-L867 HydrophobicContact CZ2-CD2 4.29Å; V461-L867 HydrophobicContact CG1-CD2 4.23Å; V461-L867 HydrophobicContact CG2-CD2 3.96Å; F863-L867 WeakPolarHBondContact O-CB 3.41Å; F863-L867 PolarHBondContact O-N 3.17Å; L864-L867 HydrophobicContact CD2-CD2 4.42Å; L864-L867 WeakPolarHBondContact O-CB 3.34Å; L864-L867 PolarHBondContact O-N 3.16Å; I865-L867 VanDerWaalsContact C-N 3.3Å; I865-L867 PolarHBondContact O-N 2.95Å; L867-I869 PolarHBondContact O-N 3.49Å; L867-S870 PolarHBondContact O-N 3.43Å; L867-D871 WeakPolarHBondContact O-CB 3.42Å; L867-D871 PolarHBondContact O-N 2.81Å; L867-T904 HydrophobicContact CD1-CG2 3.27Å
868V91.8Very high88.4Confident26 Ų2622.2 Ų22.216%0.15811%0.114CC..Hα-helixtrans-60.8-43.6177.21700000112.1T458 V461 I462 I465 L864 I865 V866 D871 V872T458-V868 HydrophobicContact CG2-CB 4.47Å; T458-V868 HydrophobicContact CG2-CG1 3.91Å; T458-V868 HydrophobicContact CG2-CG2 4.28Å; V461-V868 HydrophobicContact CB-CG2 4.21Å; V461-V868 HydrophobicContact CG1-CG2 3.64Å; I462-V868 HydrophobicContact CD1-CG1 4.29Å; I462-V868 HydrophobicContact CG1-CG1 4.32Å; I462-V868 HydrophobicContact CG1-CG2 3.92Å; I465-V868 HydrophobicContact CD1-CG2 4.29Å; L864-V868 WeakPolarHBondContact O-CG2 3.42Å; L864-V868 PolarHBondContact O-N 3.35Å; L864-V868 VanDerWaalsContact O-N 3.11Å; I865-V868 PolarHBondContact O-N 3.16Å; V866-V868 VanDerWaalsContact C-N 3.34Å; V866-V868 PolarHBondContact O-N 2.93Å; V868-D871 PolarHBondContact O-N 3.24Å; V868-V872 WeakPolarHBondContact O-CG2 3.35Å; V868-V872 PolarHBondContact O-N 2.98Å; V868-V872 VanDerWaalsContact O-N 3.14Å
869I91.9Very high89Confident5 Ų527.3 Ų27.33%0.02613%0.134CC..Hα-helixtrans-62.2-46.5177.8-66.6170000110.2I558 V793 I865 V866 L867 V872 M873I558-I869 HydrophobicContact CD1-CG2 4.31Å; I558-I869 HydrophobicContact CG1-CG2 4.04Å; V793-I869 HydrophobicContact CB-CG2 4.41Å; V793-I869 HydrophobicContact CG1-CG2 4.08Å; V793-I869 HydrophobicContact CG2-CB 4.48Å; V793-I869 HydrophobicContact CG2-CG2 4.18Å; I865-I869 HydrophobicContact CG2-CD1 4.22Å; I865-I869 WeakPolarHBondContact O-CG1 3.26Å; I865-I869 PolarHBondContact O-N 3.42Å; I865-I869 VanDerWaalsContact O-N 3.07Å; V866-I869 PolarHBondContact O-N 3.2Å; L867-I869 PolarHBondContact O-N 3.49Å; I869-V872 PolarHBondContact O-N 2.87Å; I869-M873 HydrophobicContact CG2-SD 4.4Å; I869-M873 WeakPolarHBondContact O-CG 3.43Å; I869-M873 PolarHBondContact O-N 2.64Å; I869-M873 VanDerWaalsContact O-N 3.11Å
870S91.4Very high89.8Confident3 Ų328.1 Ų28.12%0.02113%0.134CC..Hα-helixtrans-64-39.9177.9-630000112.8V866 L867 V872 M873 A874 T904V866-S870 PolarHBondContact O-N 2.87Å; V866-S870 PolarHBondContact O-OG 2.99Å; L867-S870 PolarHBondContact O-N 3.43Å; S870-V872 PolarHBondContact O-N 2.92Å; S870-M873 PolarHBondContact O-N 2.93Å; S870-A874 WeakPolarHBondContact O-CB 3.4Å; S870-A874 PolarHBondContact O-N 3.38Å; S870-T904 WeakPolarHBondContact CB-OG1 3.48Å; S870-T904 PolarHBondContact OG-OG1 3.44Å
871D92.3Very high90.3Very high2 Ų222.4 Ų22.41%0.01111%0.113CC..Hα-helixtrans-63.8-40.9178.8-72.2-7.1000111.5H14 W457 L867 V868 A874 L875H14-D871 IonicContact CD2-OD1 3.18Å; H14-D871 IonicContact CE1-OD1 3.99Å; H14-D871 IonicContact NE2-OD1 2.9Å; H14-D871 PolarHBondContact NE2-OD1 3.1Å; W457-D871 PolarHBondContact NE1-OD2 3.43Å; L867-D871 WeakPolarHBondContact O-CB 3.42Å; L867-D871 PolarHBondContact O-N 2.81Å; V868-D871 PolarHBondContact O-N 3.24Å; D871-A874 PolarHBondContact O-N 3.18Å; D871-L875 WeakPolarHBondContact O-CB 3.44Å; D871-L875 PolarHBondContact O-N 2.86Å
872V93.3Very high90.5Very high50 Ų5025.2 Ų25.230%0.30313%0.126SC..Hα-helixtrans-65.8-42.4176.2175.60000110.7I558 V868 I869 S870 L875 H876I558-V872 HydrophobicContact CD1-CB 4.31Å; I558-V872 HydrophobicContact CD1-CG1 4.15Å; I558-V872 HydrophobicContact CG2-CG1 4.07Å; V868-V872 WeakPolarHBondContact O-CG2 3.35Å; V868-V872 PolarHBondContact O-N 2.98Å; V868-V872 VanDerWaalsContact O-N 3.14Å; I869-V872 PolarHBondContact O-N 2.87Å; S870-V872 PolarHBondContact O-N 2.92Å; V872-L875 PolarHBondContact O-N 3.2Å; V872-H876 PolarHBondContact O-CD2 3.29Å; V872-H876 PolarHBondContact O-N 3.2Å
873M93.9Very high90.2Very high3 Ų327.1 Ų27.12%0.01514%0.136CC..Hα-helixtrans-62.3-43.9173.7-71.5-179.762.100111.9I558 L561 V562 F565 V793 I797 I869 S870 L875 H876 F877 V900I558-M873 HydrophobicContact CG2-CG 3.81Å; L561-M873 HydrophobicContact CB-CE 3.81Å; L561-M873 HydrophobicContact CB-SD 4.02Å; L561-M873 HydrophobicContact CD1-SD 3.93Å; V562-M873 HydrophobicContact CG2-CB 4.5Å; V562-M873 HydrophobicContact CG2-CG 4.23Å; F565-M873 HydrophobicContact CE2-CE 3.93Å; V793-M873 HydrophobicContact CG1-SD 4.39Å; I797-M873 HydrophobicContact CD1-CE 3.71Å; I797-M873 HydrophobicContact CD1-SD 4.17Å; I869-M873 HydrophobicContact CG2-SD 4.4Å; I869-M873 WeakPolarHBondContact O-CG 3.43Å; I869-M873 PolarHBondContact O-N 2.64Å; I869-M873 VanDerWaalsContact O-N 3.11Å; S870-M873 PolarHBondContact O-N 2.93Å; M873-L875 VanDerWaalsContact C-N 3.31Å; M873-L875 PolarHBondContact O-N 3.48Å; M873-H876 WeakPolarHBondContact O-CB 3.37Å; M873-H876 PolarHBondContact O-N 2.96Å; M873-F877 HydrophobicContact CE-CE2 4.26Å; M873-F877 WeakPolarHBondContact O-CD2 3.33Å; M873-F877 PolarHBondContact O-N 3.06Å; M873-V900 HydrophobicContact CB-CG1 3.82Å; M873-V900 HydrophobicContact CE-CG2 4.17Å
874A92.8Very high89.4Confident1 Ų133.2 Ų33.21%0.00816%0.159CC..Hα-helixtrans-61.3-41.6177.900000111.2F454 S870 D871 H876 F877 F878 Y897 V900 M901F454-A874 HydrophobicContact CE1-CB 3.98Å; F454-A874 HydrophobicContact CZ-CB 4.29Å; S870-A874 WeakPolarHBondContact O-CB 3.4Å; S870-A874 PolarHBondContact O-N 3.38Å; D871-A874 PolarHBondContact O-N 3.18Å; A874-H876 VanDerWaalsContact C-N 3.33Å; A874-H876 PolarHBondContact O-N 3.5Å; A874-F877 PolarHBondContact O-N 3.49Å; A874-F878 WeakPolarHBondContact O-CB 3.45Å; A874-F878 PolarHBondContact O-N 3.39Å; A874-Y897 HydrophobicContact CB-CE2 4.4Å; A874-Y897 WeakPolarHBondContact O-CD2 3.48Å; A874-Y897 VanDerWaalsContact O-CE2 3.3Å; A874-Y897 WeakPolarHBondContact O-CE2 3.45Å; A874-V900 HydrophobicContact CB-CG1 4.07Å; A874-M901 HydrophobicContact CB-CG 4.23Å; A874-M901 HydrophobicContact CB-SD 3.5Å; A874-M901 WeakPolarHBondContact CB-SD 3.25Å
875L94Very high88.3Confident33 Ų3335 Ų3517%0.17318%0.181CC..Hα-helixtrans-62.9-37.9174.9-176.860.8000112.2V451 F454 D871 V872 M873 F878 F879V451-L875 HydrophobicContact CG1-CD1 4.48Å; V451-L875 HydrophobicContact CG2-CD1 4.06Å; F454-L875 HydrophobicContact CB-CD1 4.07Å; F454-L875 HydrophobicContact CB-CD2 4.42Å; F454-L875 HydrophobicContact CD1-CB 4.4Å; F454-L875 HydrophobicContact CD2-CD1 4.01Å; F454-L875 HydrophobicContact CG-CB 4.48Å; F454-L875 HydrophobicContact CG-CD1 4.08Å; D871-L875 WeakPolarHBondContact O-CB 3.44Å; D871-L875 PolarHBondContact O-N 2.86Å; V872-L875 PolarHBondContact O-N 3.2Å; M873-L875 VanDerWaalsContact C-N 3.31Å; M873-L875 PolarHBondContact O-N 3.48Å; L875-F878 WeakPolarHBondContact O-CB 3.24Å; L875-F878 PolarHBondContact O-N 3.42Å; L875-F879 HydrophobicContact CD1-CD2 4.39Å; L875-F879 HydrophobicContact CD1-CE2 3.77Å; L875-F879 HydrophobicContact CD1-CZ 4.44Å; L875-F879 HydrophobicContact CG-CD2 4.48Å; L875-F879 HydrophobicContact CG-CE2 4.03Å; L875-F879 WeakPolarHBondContact O-CD2 3.26Å; L875-F879 PolarHBondContact O-N 3.45Å
876H94Very high86.6Confident61 Ų6136.3 Ų36.328%0.28219%0.191SC..Hα-helixtrans-59.7-51.9170.8-92.1-120000111.2E559 V562 V872 M873 A874 F878 F879 L880E559-H876 IonicContact OE1-CE1 3.74Å; E559-H876 PolarHBondContact OE1-CE1 3.4Å; E559-H876 IonicContact OE1-ND1 3.4Å; E559-H876 IonicContact OE1-NE2 3.39Å; E559-H876 IonicContact OE2-CE1 3.42Å; E559-H876 IonicContact OE2-ND1 3.45Å; V562-H876 HydrophobicContact CG1-CB 4.41Å; V562-H876 HydrophobicContact CG2-CB 4.02Å; V872-H876 PolarHBondContact O-CD2 3.29Å; V872-H876 PolarHBondContact O-N 3.2Å; M873-H876 WeakPolarHBondContact O-CB 3.37Å; M873-H876 PolarHBondContact O-N 2.96Å; A874-H876 VanDerWaalsContact C-N 3.33Å; A874-H876 PolarHBondContact O-N 3.5Å; H876-F878 VanDerWaalsContact C-N 3.25Å; H876-F878 PolarHBondContact O-N 3.08Å; H876-F879 PolarHBondContact O-N 3.21Å; H876-F879 VanDerWaalsContact O-N 3.11Å; H876-L880 WeakPolarHBondContact O-CG 3.49Å; H876-L880 PolarHBondContact O-N 2.65Å; H876-L880 VanDerWaalsContact O-N 3.14Å
877F93.1Very high85.1Confident2 Ų237.4 Ų37.41%0.00920%0.195CC..Hα-helixtrans-64.2-30.2179.8-73.7-61.9000112.9V562 F565 F566 M873 A874 F879 L880 V881 H896 Y897 V900V562-F877 HydrophobicContact CB-CZ 4.28Å; V562-F877 HydrophobicContact CG1-CE1 4.09Å; V562-F877 HydrophobicContact CG1-CE2 4.45Å; V562-F877 HydrophobicContact CG1-CZ 3.92Å; V562-F877 HydrophobicContact CG2-CE2 4.2Å; V562-F877 HydrophobicContact CG2-CZ 4.38Å; F565-F877 HydrophobicContact CB-CE1 4.03Å; F565-F877 HydrophobicContact CB-CZ 3.74Å; F565-F877 HydrophobicContact CD1-CZ 4.13Å; F565-F877 HydrophobicContact CD2-CE2 4.04Å; F565-F877 AromaticContact CD2-CZ 3.56Å; F565-F877 HydrophobicContact CD2-CZ 3.56Å; F565-F877 HydrophobicContact CE2-CE2 4.21Å; F565-F877 HydrophobicContact CE2-CZ 4.2Å; F565-F877 HydrophobicContact CG-CE1 4.21Å; F565-F877 HydrophobicContact CG-CE2 4.27Å; F565-F877 AromaticContact CG-CZ 3.53Å; F565-F877 HydrophobicContact CG-CZ 3.53Å; F566-F877 AromaticContact CE2-CE1 3.97Å; F566-F877 HydrophobicContact CE2-CE1 3.97Å; F566-F877 HydrophobicContact CZ-CE1 4.31Å; M873-F877 HydrophobicContact CE-CE2 4.26Å; M873-F877 WeakPolarHBondContact O-CD2 3.33Å; M873-F877 PolarHBondContact O-N 3.06Å; A874-F877 PolarHBondContact O-N 3.49Å; F877-F879 VanDerWaalsContact C-N 3.27Å; F877-F879 PolarHBondContact O-N 3.34Å; F877-L880 HydrophobicContact CD1-CD1 4.37Å; F877-L880 CarbonylContact O-C 3.59Å; F877-L880 PolarHBondContact O-N 3.38Å; F877-V881 VanDerWaalsContact O-CG2 3.28Å; F877-V881 WeakPolarHBondContact O-CG2 3.48Å; F877-V881 PolarHBondContact O-N 3.22Å; F877-H896 HydrophobicContact CD1-CB 3.65Å; F877-H896 HydrophobicContact CE1-CB 3.7Å; F877-H896 HydrophobicContact CG-CB 4.29Å; F877-H896 HydrophobicContact CZ-CB 4.37Å; F877-Y897 HydrophobicContact CB-CD2 3.87Å; F877-Y897 HydrophobicContact CB-CG 4.49Å; F877-V900 HydrophobicContact CD2-CB 4.25Å; F877-V900 HydrophobicContact CD2-CG2 3.67Å; F877-V900 HydrophobicContact CE2-CG2 3.59Å
878F93.8Very high83.6Confident1 Ų140.2 Ų40.20%0.00421%0.21CC..Hα-helixtrans-58-38.1172.9176.4-95.7000112.6I21 I24 Y25 V450 V451 A874 L875 H876 Y897I21-F878 HydrophobicContact CG2-CD2 3.64Å; I21-F878 HydrophobicContact CG2-CE2 3.99Å; I24-F878 HydrophobicContact CD1-CE2 4.04Å; I24-F878 HydrophobicContact CD1-CZ 3.85Å; Y25-F878 HydrophobicContact CE2-CE2 4.15Å; Y25-F878 HydrophobicContact CE2-CZ 4.27Å; Y25-F878 PolarHBondContact OH-O 3.39Å; V450-F878 HydrophobicContact CB-CE2 4.43Å; V450-F878 HydrophobicContact CB-CZ 4.17Å; V450-F878 HydrophobicContact CG1-CD2 4.36Å; V450-F878 HydrophobicContact CG1-CE2 3.86Å; V450-F878 HydrophobicContact CG1-CZ 4.01Å; V451-F878 HydrophobicContact CG2-CD1 4.34Å; V451-F878 HydrophobicContact CG2-CE1 4.05Å; A874-F878 WeakPolarHBondContact O-CB 3.45Å; A874-F878 PolarHBondContact O-N 3.39Å; L875-F878 WeakPolarHBondContact O-CB 3.24Å; L875-F878 PolarHBondContact O-N 3.42Å; H876-F878 VanDerWaalsContact C-N 3.25Å; H876-F878 PolarHBondContact O-N 3.08Å; F878-Y897 HydrophobicContact CB-CD2 4.32Å; F878-Y897 HydrophobicContact CB-CE2 3.81Å; F878-Y897 HydrophobicContact CD2-CE2 4.44Å
879F92.8Very high82.4Confident123 Ų12342.4 Ų42.454%0.53922%0.221SC..Hα-helixtrans-82.2-18.6175.1-69.3-65000113.5V451 L875 H876 F877V451-F879 HydrophobicContact CG1-CZ 4.38Å; V451-F879 HydrophobicContact CG2-CE1 3.99Å; V451-F879 HydrophobicContact CG2-CE2 4.17Å; V451-F879 HydrophobicContact CG2-CZ 3.4Å; V451-F879 VanDerWaalsContact CG2-CZ 3.4Å; L875-F879 HydrophobicContact CD1-CD2 4.39Å; L875-F879 HydrophobicContact CD1-CE2 3.77Å; L875-F879 HydrophobicContact CD1-CZ 4.44Å; L875-F879 HydrophobicContact CG-CD2 4.48Å; L875-F879 HydrophobicContact CG-CE2 4.03Å; L875-F879 WeakPolarHBondContact O-CD2 3.26Å; L875-F879 PolarHBondContact O-N 3.45Å; H876-F879 PolarHBondContact O-N 3.21Å; H876-F879 VanDerWaalsContact O-N 3.11Å; F877-F879 VanDerWaalsContact C-N 3.27Å; F877-F879 PolarHBondContact O-N 3.34Å
880L92.1Very high81.5Confident72 Ų7242.9 Ų42.938%0.37722%0.223SC..Hα-helixtrans-951.6178.8-62.9172.2000113V562 F566 H876 F877 Q882V562-L880 HydrophobicContact CG1-CD1 3.99Å; F566-L880 HydrophobicContact CE2-CD1 3.97Å; F566-L880 HydrophobicContact CZ-CB 4.47Å; F566-L880 HydrophobicContact CZ-CD1 3.97Å; H876-L880 WeakPolarHBondContact O-CG 3.49Å; H876-L880 PolarHBondContact O-N 2.65Å; H876-L880 VanDerWaalsContact O-N 3.14Å; F877-L880 HydrophobicContact CD1-CD1 4.37Å; F877-L880 CarbonylContact O-C 3.59Å; F877-L880 PolarHBondContact O-N 3.38Å; L880-Q882 PolarHBondContact O-N 2.67Å
881V89.6Confident80.6Confident8 Ų843.8 Ų43.85%0.04823%0.233CC..  trans-61126170.3179.30000108.4I21 Y25 F26 F877I21-V881 HydrophobicContact CG2-CG2 4.04Å; Y25-V881 HydrophobicContact CD1-CB 4.3Å; Y25-V881 HydrophobicContact CD1-CG1 4.1Å; Y25-V881 HydrophobicContact CD2-CB 4.07Å; Y25-V881 HydrophobicContact CD2-CG1 3.91Å; Y25-V881 HydrophobicContact CE1-CB 4.29Å; Y25-V881 HydrophobicContact CE2-CB 4.03Å; Y25-V881 HydrophobicContact CE2-CG1 4.39Å; Y25-V881 HydrophobicContact CE2-CG2 4.45Å; Y25-V881 HydrophobicContact CG-CB 4.2Å; Y25-V881 HydrophobicContact CG-CG1 3.74Å; F26-V881 HydrophobicContact CE2-CG1 3.73Å; F26-V881 HydrophobicContact CZ-CG1 3.82Å; F877-V881 VanDerWaalsContact O-CG2 3.28Å; F877-V881 WeakPolarHBondContact O-CG2 3.48Å; F877-V881 PolarHBondContact O-N 3.22Å
882Q82.9Confident79.8Confident61 Ų6145.6 Ų45.629%0.28524%0.244SC..  trans-103.6135176.2-60.5-169.65.300109.2L880 D889 I890 S893L880-Q882 PolarHBondContact O-N 2.67Å; Q882-D889 VanDerWaalsContact OE1-CB 3.25Å; Q882-I890 WeakPolarHBondContact O-CA 3.41Å; Q882-I890 WeakPolarHBondContact O-CG2 3.23Å; Q882-S893 PolarHBondContact N-OG 3.34Å; Q882-S893 PolarHBondContact O-OG 2.82Å
883D76.9Confident79.3Confident42 Ų4243.6 Ų43.623%0.22523%0.232CC..SBendtrans-117.26.4174.964.2-54.5000112.3Y25 F26 R443Y25-D883 HydrophobicContact CD1-CB 4.47Å; F26-D883 HydrophobicContact CE1-CB 4.31Å; R443-D883 IonicContact CZ-OD1 3.64Å; R443-D883 IonicContact CZ-OD2 3.5Å; R443-D883 IonicContact NH1-OD1 2.86Å; R443-D883 PolarHBondContact NH1-OD1 2.62Å; R443-D883 IonicContact NH1-OD2 3.87Å; R443-D883 PolarHBondContact NH1-OD2 3.3Å; R443-D883 VanDerWaalsContact NH2-CG 3.28Å; R443-D883 IonicContact NH2-OD1 2.61Å; R443-D883 IonicContact NH2-OD2 3.43Å; R443-D883 PolarHBondContact NH2-OD2 2.92Å
884Y65.4Low78.8Confident163 Ų16344 Ų4464%0.63924%0.235SC*.SBendtrans-136.6170178.966-88.2000109.6
885G63.7Low78.3Confident50 Ų5045.9 Ų45.952%0.51525%0.248SC..SBendtrans92.7-158.1-175.700000111.7
886S53.6Low77.9Confident45 Ų4545 Ų4532%0.31524%0.242SC..  trans-68.6146.1171.578.60000108L888 D889 I890S886-L888 PolarHBondContact O-N 3.19Å; S886-L888 PolarHBondContact OG-N 3.08Å; S886-D889 WeakPolarHBondContact CB-OD2 3.48Å; S886-D889 PolarHBondContact N-OD2 3.07Å; S886-D889 VanDerWaalsContact N-OD2 3.07Å; S886-D889 WeakPolarHBondContact O-CA 3.27Å; S886-D889 WeakPolarHBondContact O-CB 3.39Å; S886-D889 PolarHBondContact O-N 2.88Å; S886-D889 PolarHBondContact OG-N 2.9Å; S886-D889 PolarHBondContact OG-OD2 2.9Å; S886-I890 PolarHBondContact O-N 3.33Å; S886-I890 VanDerWaalsContact O-N 3.09Å
887W58.1Low77.7Confident25 Ų2542 Ų4210%0.09523%0.229CC..Hα-helixtrans-60.5-11.6172.7-93.4100.2000113.6V92 P93 E109 V111 V114 I890 G891V92-W887 VanDerWaalsContact C-CG 3.43Å; V92-W887 HydrophobicContact CB-CB 3.8Å; V92-W887 HydrophobicContact CG2-CB 3.06Å; V92-W887 HydrophobicContact CG2-CG 4.39Å; V92-W887 VanDerWaalsContact CG2-N 3.29Å; V92-W887 WeakPolarHBondContact O-CB 3.07Å; V92-W887 VanDerWaalsContact O-CD2 3.3Å; V92-W887 VanDerWaalsContact O-CE2 3.3Å; V92-W887 PolarHBondContact O-NE1 3.28Å; P93-W887 VanDerWaalsContact CD-CD2 3.42Å; P93-W887 VanDerWaalsContact CD-CZ3 3.41Å; P93-W887 HydrophobicContact CG-CE3 4.46Å; P93-W887 HydrophobicContact CG-CH2 4.18Å; P93-W887 HydrophobicContact CG-CZ3 4.13Å; E109-W887 WeakPolarHBondContact O-CZ2 3.29Å; V111-W887 VanDerWaalsContact CA-CH2 3.41Å; V111-W887 HydrophobicContact CB-CE3 4.39Å; V111-W887 HydrophobicContact CB-CH2 4.16Å; V111-W887 HydrophobicContact CB-CZ3 3.56Å; V111-W887 HydrophobicContact CG1-CZ3 4.05Å; V111-W887 HydrophobicContact CG2-CE3 3.42Å; V111-W887 VanDerWaalsContact CG2-CE3 3.42Å; V111-W887 HydrophobicContact CG2-CH2 3.9Å; V111-W887 HydrophobicContact CG2-CZ3 3.04Å; V114-W887 HydrophobicContact CG2-CH2 4.18Å; W887-I890 HydrophobicContact CE3-CG2 4.48Å; W887-I890 HydrophobicContact CG-CD1 4.37Å; W887-G891 WeakPolarHBondContact O-CA 3.31Å; W887-G891 PolarHBondContact O-N 2.97Å
888L58Low77.3Confident69 Ų6943.8 Ų43.836%0.36124%0.239SC..Hα-helixtrans-76.1-41.9177.2171.268.3000106.2V92 A275 S886 T892V92-L888 HydrophobicContact CG2-CB 3.79Å; A275-L888 HydrophobicContact CB-CD1 4.19Å; S886-L888 PolarHBondContact O-N 3.19Å; S886-L888 PolarHBondContact OG-N 3.08Å; L888-T892 WeakPolarHBondContact O-CA 3.38Å; L888-T892 WeakPolarHBondContact O-CB 3.31Å; L888-T892 PolarHBondContact O-N 3.21Å; L888-T892 PolarHBondContact O-OG1 2.83Å
889D67.3Low76.9Confident72 Ų7245.3 Ų45.339%0.38525%0.248SC..Hα-helixtrans-62.1-46.9172.5-50.6-49.8000110.2Q882 S886 S893Q882-D889 VanDerWaalsContact OE1-CB 3.25Å; S886-D889 WeakPolarHBondContact CB-OD2 3.48Å; S886-D889 PolarHBondContact N-OD2 3.07Å; S886-D889 VanDerWaalsContact N-OD2 3.07Å; S886-D889 WeakPolarHBondContact O-CA 3.27Å; S886-D889 WeakPolarHBondContact O-CB 3.39Å; S886-D889 PolarHBondContact O-N 2.88Å; S886-D889 PolarHBondContact OG-N 2.9Å; S886-D889 PolarHBondContact OG-OD2 2.9Å; D889-S893 VanDerWaalsContact O-CB 3.29Å; D889-S893 WeakPolarHBondContact O-CB 3.46Å; D889-S893 PolarHBondContact O-N 2.95Å; D889-S893 PolarHBondContact O-OG 2.94Å
890I73.4Confident76.7Confident14 Ų1439.6 Ų39.67%0.07222%0.223CC..Hα-helixtrans-58.5-58.4175.3-62.2176.3000111F26 V111 Q882 S886 W887 T892 S893 I894F26-I890 HydrophobicContact CE1-CG2 3.41Å; F26-I890 VanDerWaalsContact CE1-CG2 3.41Å; F26-I890 HydrophobicContact CZ-CG2 3.78Å; V111-I890 HydrophobicContact CG2-CG2 3.62Å; Q882-I890 WeakPolarHBondContact O-CA 3.41Å; Q882-I890 WeakPolarHBondContact O-CG2 3.23Å; S886-I890 PolarHBondContact O-N 3.33Å; S886-I890 VanDerWaalsContact O-N 3.09Å; W887-I890 HydrophobicContact CE3-CG2 4.48Å; W887-I890 HydrophobicContact CG-CD1 4.37Å; I890-T892 VanDerWaalsContact C-N 3.33Å; I890-T892 PolarHBondContact O-N 2.97Å; I890-S893 PolarHBondContact O-N 3.46Å; I890-S893 VanDerWaalsContact O-N 3.15Å; I890-S893 PolarHBondContact O-OG 3.44Å; I890-I894 HydrophobicContact CG2-CD1 3.94Å; I890-I894 WeakPolarHBondContact O-CG1 3.22Å; I890-I894 PolarHBondContact O-N 3.46Å
891G71.7Confident76.5Confident23 Ų2336.4 Ų36.424%0.23721%0.206CC..Hα-helixtrans-63.5-35.1-177.400000113.4W887 S895W887-G891 WeakPolarHBondContact O-CA 3.31Å; W887-G891 PolarHBondContact O-N 2.97Å; G891-S895 VanDerWaalsContact O-CB 3.28Å; G891-S895 WeakPolarHBondContact O-CB 3.36Å; G891-S895 PolarHBondContact O-N 2.67Å; G891-S895 PolarHBondContact O-OG 2.9Å
892T75Confident76.2Confident40 Ų4038.3 Ų38.325%0.24522%0.22CC..Hα-helixtrans-67.4-44173.6-62.60000110.6L888 I890 I894 S895 H896L888-T892 WeakPolarHBondContact O-CA 3.38Å; L888-T892 WeakPolarHBondContact O-CB 3.31Å; L888-T892 PolarHBondContact O-N 3.21Å; L888-T892 PolarHBondContact O-OG1 2.83Å; I890-T892 VanDerWaalsContact C-N 3.33Å; I890-T892 PolarHBondContact O-N 2.97Å; T892-I894 VanDerWaalsContact C-N 3.35Å; T892-I894 PolarHBondContact O-N 3.14Å; T892-S895 PolarHBondContact O-N 3.48Å; T892-H896 WeakPolarHBondContact CG2-CE1 3.24Å; T892-H896 VanDerWaalsContact CG2-NE2 3.34Å; T892-H896 WeakPolarHBondContact CG2-NE2 2.97Å; T892-H896 PolarHBondContact O-CD2 2.78Å; T892-H896 PolarHBondContact O-N 2.89Å
893S84.4Confident76.2Confident7 Ų736.1 Ų36.15%0.04921%0.209CC..Hα-helixtrans-62.7-40.4177.779.90000112.4Q882 D889 I890 H896 Y897Q882-S893 PolarHBondContact N-OG 3.34Å; Q882-S893 PolarHBondContact O-OG 2.82Å; D889-S893 VanDerWaalsContact O-CB 3.29Å; D889-S893 WeakPolarHBondContact O-CB 3.46Å; D889-S893 PolarHBondContact O-N 2.95Å; D889-S893 PolarHBondContact O-OG 2.94Å; I890-S893 PolarHBondContact O-N 3.46Å; I890-S893 VanDerWaalsContact O-N 3.15Å; I890-S893 PolarHBondContact O-OG 3.44Å; S893-H896 PolarHBondContact O-N 3.4Å; S893-Y897 PolarHBondContact O-N 3.4Å
894I82.8Confident76.2Confident13 Ų1334.6 Ų34.67%0.06720%0.202CC..Hα-helixtrans-63.5-49.8173-64.3166.4000109.8I21 F22 F26 V111 I890 T892 H896 Y897 V898I21-I894 HydrophobicContact CD1-CG2 4.21Å; F22-I894 HydrophobicContact CE1-CG2 4.46Å; F22-I894 HydrophobicContact CZ-CG2 4.4Å; F26-I894 HydrophobicContact CD2-CD1 4.27Å; F26-I894 HydrophobicContact CE1-CD1 3.89Å; F26-I894 HydrophobicContact CE2-CD1 3.53Å; F26-I894 HydrophobicContact CE2-CG1 3.53Å; F26-I894 HydrophobicContact CZ-CD1 3.33Å; F26-I894 HydrophobicContact CZ-CG1 3.51Å; V111-I894 HydrophobicContact CB-CD1 3.98Å; V111-I894 HydrophobicContact CG1-CD1 3.68Å; V111-I894 HydrophobicContact CG2-CD1 3.62Å; I890-I894 HydrophobicContact CG2-CD1 3.94Å; I890-I894 WeakPolarHBondContact O-CG1 3.22Å; I890-I894 PolarHBondContact O-N 3.46Å; T892-I894 VanDerWaalsContact C-N 3.35Å; T892-I894 PolarHBondContact O-N 3.14Å; I894-H896 VanDerWaalsContact C-N 3.29Å; I894-H896 PolarHBondContact O-N 2.92Å; I894-Y897 PolarHBondContact O-N 3.39Å; I894-Y897 VanDerWaalsContact O-N 3.14Å; I894-V898 HydrophobicContact CG2-CG2 3.87Å; I894-V898 WeakPolarHBondContact O-CB 3.46Å; I894-V898 VanDerWaalsContact O-CG2 3.24Å; I894-V898 WeakPolarHBondContact O-CG2 3.37Å; I894-V898 PolarHBondContact O-N 3.34Å
895S81.1Confident76.8Confident40 Ų4029.1 Ų29.128%0.2818%0.183SC..Hα-helixtrans-56.2-43.6179.3-67.30000111.5G891 T892 Y897 V898 I899G891-S895 VanDerWaalsContact O-CB 3.28Å; G891-S895 WeakPolarHBondContact O-CB 3.36Å; G891-S895 PolarHBondContact O-N 2.67Å; G891-S895 PolarHBondContact O-OG 2.9Å; T892-S895 PolarHBondContact O-N 3.48Å; S895-Y897 PolarHBondContact O-N 2.96Å; S895-V898 PolarHBondContact O-N 3.43Å; S895-I899 VanDerWaalsContact O-CB 3.31Å; S895-I899 WeakPolarHBondContact O-CB 3.34Å; S895-I899 VanDerWaalsContact O-CD1 3.29Å; S895-I899 WeakPolarHBondContact O-CD1 3.35Å; S895-I899 WeakPolarHBondContact O-CG1 3.22Å; S895-I899 PolarHBondContact O-N 3.22Å
896H87.1Confident77.7Confident13 Ų1329.7 Ų29.76%0.0617%0.172CC..Hα-helixtrans-57.9-48.8176-67.1172.6000112.1F565 F877 T892 S893 I894 V900F565-H896 HydrophobicContact CD1-CB 4.09Å; F565-H896 AromaticContact CD1-CD2 3.62Å; F565-H896 AromaticContact CD1-CG 3.9Å; F565-H896 PolarHBondContact O-CE1 3.11Å; F565-H896 PolarHBondContact O-NE2 2.82Å; F877-H896 HydrophobicContact CD1-CB 3.65Å; F877-H896 HydrophobicContact CE1-CB 3.7Å; F877-H896 HydrophobicContact CG-CB 4.29Å; F877-H896 HydrophobicContact CZ-CB 4.37Å; T892-H896 WeakPolarHBondContact CG2-CE1 3.24Å; T892-H896 VanDerWaalsContact CG2-NE2 3.34Å; T892-H896 WeakPolarHBondContact CG2-NE2 2.97Å; T892-H896 PolarHBondContact O-CD2 2.78Å; T892-H896 PolarHBondContact O-N 2.89Å; S893-H896 PolarHBondContact O-N 3.4Å; I894-H896 VanDerWaalsContact C-N 3.29Å; I894-H896 PolarHBondContact O-N 2.92Å; H896-V900 PolarHBondContact O-N 3.29Å
897Y88.9Confident79.1Confident0 Ų027.6 Ų27.60%016%0.157CC..Hα-helixtrans-63.2-47.2177.3-177.3-105.7000112.2F17 I21 F454 A874 F877 F878 S893 I894 S895 I899 V900 M901F17-Y897 VanDerWaalsContact C-OH 3.28Å; F17-Y897 PolarHBondContact O-OH 2.7Å; I21-Y897 HydrophobicContact CB-CD1 4.42Å; I21-Y897 HydrophobicContact CB-CE1 4.24Å; I21-Y897 HydrophobicContact CD1-CD1 3.49Å; I21-Y897 VanDerWaalsContact CD1-CD1 3.49Å; I21-Y897 HydrophobicContact CD1-CE1 4.01Å; I21-Y897 HydrophobicContact CD1-CG 4.36Å; I21-Y897 HydrophobicContact CG1-CD1 3.87Å; I21-Y897 HydrophobicContact CG1-CE1 3.83Å; I21-Y897 HydrophobicContact CG2-CD1 3.74Å; I21-Y897 HydrophobicContact CG2-CE1 3.38Å; I21-Y897 HydrophobicContact CG2-CE2 4.36Å; I21-Y897 HydrophobicContact CG2-CG 4.31Å; F454-Y897 HydrophobicContact CZ-CE2 4.47Å; A874-Y897 HydrophobicContact CB-CE2 4.4Å; A874-Y897 WeakPolarHBondContact O-CD2 3.48Å; A874-Y897 VanDerWaalsContact O-CE2 3.3Å; A874-Y897 WeakPolarHBondContact O-CE2 3.45Å; F877-Y897 HydrophobicContact CB-CD2 3.87Å; F877-Y897 HydrophobicContact CB-CG 4.49Å; F878-Y897 HydrophobicContact CB-CD2 4.32Å; F878-Y897 HydrophobicContact CB-CE2 3.81Å; F878-Y897 HydrophobicContact CD2-CE2 4.44Å; S893-Y897 PolarHBondContact O-N 3.4Å; I894-Y897 PolarHBondContact O-N 3.39Å; I894-Y897 VanDerWaalsContact O-N 3.14Å; S895-Y897 PolarHBondContact O-N 2.96Å; Y897-I899 PolarHBondContact O-N 3.43Å; Y897-V900 PolarHBondContact O-N 2.9Å; Y897-M901 HydrophobicContact CD1-CG 4.13Å; Y897-M901 HydrophobicContact CD2-CG 4.25Å; Y897-M901 HydrophobicContact CE1-CG 3.8Å; Y897-M901 HydrophobicContact CE2-CG 3.88Å; Y897-M901 HydrophobicContact CE2-SD 4.33Å; Y897-M901 HydrophobicContact CG-CG 4.38Å; Y897-M901 WeakPolarHBondContact O-CB 3.32Å; Y897-M901 WeakPolarHBondContact O-CG 3.26Å; Y897-M901 PolarHBondContact O-N 3.32Å
898V85.6Confident80.1Confident38 Ų3828.8 Ų28.823%0.2316%0.164CC..Hα-helixtrans-60.1-43.9179.2166.70000111.3F18 I894 S895 S902F18-V898 HydrophobicContact CE2-CB 4.18Å; F18-V898 HydrophobicContact CE2-CG1 3.98Å; F18-V898 HydrophobicContact CE2-CG2 3.7Å; F18-V898 HydrophobicContact CZ-CG2 4.2Å; I894-V898 HydrophobicContact CG2-CG2 3.87Å; I894-V898 WeakPolarHBondContact O-CB 3.46Å; I894-V898 VanDerWaalsContact O-CG2 3.24Å; I894-V898 WeakPolarHBondContact O-CG2 3.37Å; I894-V898 PolarHBondContact O-N 3.34Å; S895-V898 PolarHBondContact O-N 3.43Å; V898-S902 WeakPolarHBondContact O-CB 3.5Å; V898-S902 PolarHBondContact O-N 3.07Å; V898-S902 PolarHBondContact O-OG 3.04Å
899I85.2Confident81.4Confident34 Ų3430.2 Ų30.217%0.17417%0.172CC..Hα-helixtrans-60.8-50.1179.2-72160.2000109.9F565 F800 S895 Y897 S902 M903F565-I899 HydrophobicContact CE1-CB 4.17Å; F565-I899 HydrophobicContact CE1-CG2 3.8Å; F565-I899 HydrophobicContact CZ-CG2 4.19Å; F800-I899 HydrophobicContact CE1-CD1 3.79Å; F800-I899 HydrophobicContact CE1-CG1 4.5Å; F800-I899 HydrophobicContact CE1-CG2 4.15Å; F800-I899 HydrophobicContact CZ-CD1 3.67Å; F800-I899 HydrophobicContact CZ-CG1 4.12Å; F800-I899 HydrophobicContact CZ-CG2 4.22Å; S895-I899 VanDerWaalsContact O-CB 3.31Å; S895-I899 WeakPolarHBondContact O-CB 3.34Å; S895-I899 VanDerWaalsContact O-CD1 3.29Å; S895-I899 WeakPolarHBondContact O-CD1 3.35Å; S895-I899 WeakPolarHBondContact O-CG1 3.22Å; S895-I899 PolarHBondContact O-N 3.22Å; Y897-I899 PolarHBondContact O-N 3.43Å; I899-S902 PolarHBondContact O-N 3.05Å; I899-M903 WeakPolarHBondContact O-CB 3.2Å; I899-M903 PolarHBondContact O-N 2.92Å
900V88.9Confident82.2Confident3 Ų327.1 Ų27.12%0.01816%0.155CC..Hα-helixtrans-66.4-43.9-178.5175.90000111.8F565 M873 A874 F877 H896 Y897 S902 M903F565-V900 HydrophobicContact CE1-CG2 4.03Å; F565-V900 HydrophobicContact CE2-CG2 4.16Å; F565-V900 HydrophobicContact CZ-CG2 3.59Å; M873-V900 HydrophobicContact CB-CG1 3.82Å; M873-V900 HydrophobicContact CE-CG2 4.17Å; A874-V900 HydrophobicContact CB-CG1 4.07Å; F877-V900 HydrophobicContact CD2-CB 4.25Å; F877-V900 HydrophobicContact CD2-CG2 3.67Å; F877-V900 HydrophobicContact CE2-CG2 3.59Å; H896-V900 PolarHBondContact O-N 3.29Å; Y897-V900 PolarHBondContact O-N 2.9Å; V900-S902 PolarHBondContact O-N 3.35Å; V900-M903 PolarHBondContact O-N 3.48Å
901M87.2Confident82.7Confident4 Ų428.6 Ų28.62%0.0217%0.167CC..Hα-helixtrans-62.1-44176.9-76.4-60.8-62.900112.4H14 F17 F18 F454 A874 Y897H14-M901 HydrophobicContact CB-CE 3.88Å; H14-M901 WeakPolarHBondContact O-CE 3.25Å; F17-M901 HydrophobicContact CB-CE 3.62Å; F17-M901 HydrophobicContact CD2-CE 4.48Å; F18-M901 HydrophobicContact CB-CE 4.31Å; F18-M901 HydrophobicContact CD2-CB 4.22Å; F454-M901 HydrophobicContact CE1-SD 4.4Å; F454-M901 HydrophobicContact CZ-SD 4.22Å; A874-M901 HydrophobicContact CB-CG 4.23Å; A874-M901 HydrophobicContact CB-SD 3.5Å; A874-M901 WeakPolarHBondContact CB-SD 3.25Å; Y897-M901 HydrophobicContact CD1-CG 4.13Å; Y897-M901 HydrophobicContact CD2-CG 4.25Å; Y897-M901 HydrophobicContact CE1-CG 3.8Å; Y897-M901 HydrophobicContact CE2-CG 3.88Å; Y897-M901 HydrophobicContact CE2-SD 4.33Å; Y897-M901 HydrophobicContact CG-CG 4.38Å; Y897-M901 WeakPolarHBondContact O-CB 3.32Å; Y897-M901 WeakPolarHBondContact O-CG 3.26Å; Y897-M901 PolarHBondContact O-N 3.32Å
902S83Confident83.3Confident49 Ų4932 Ų3234%0.34318%0.183SC..Hα-helixtrans-73-32.2180-56.40000111.8V898 I899 V900 T904 I905 F906V898-S902 WeakPolarHBondContact O-CB 3.5Å; V898-S902 PolarHBondContact O-N 3.07Å; V898-S902 PolarHBondContact O-OG 3.04Å; I899-S902 PolarHBondContact O-N 3.05Å; V900-S902 PolarHBondContact O-N 3.35Å; S902-T904 VanDerWaalsContact C-N 3.27Å; S902-T904 PolarHBondContact O-N 3.4Å; S902-I905 PolarHBondContact O-N 2.95Å; S902-F906 WeakPolarHBondContact O-CB 3.37Å; S902-F906 PolarHBondContact O-N 2.94Å
903M82.5Confident83.9Confident14 Ų1433.4 Ų33.47%0.06919%0.191CC..Hα-helixtrans-56.7-41.1-180177.1169.4153.400111.2V793 I796 I797 I899 V900 I905 F906 L907V793-M903 HydrophobicContact CG1-CE 4.12Å; I796-M903 HydrophobicContact CB-CE 3.67Å; I796-M903 HydrophobicContact CG2-CE 3.33Å; I796-M903 HydrophobicContact CG2-CG 4.36Å; I796-M903 HydrophobicContact CG2-SD 3.8Å; I797-M903 HydrophobicContact CG1-CE 4.06Å; I797-M903 HydrophobicContact CG1-SD 4.24Å; I899-M903 WeakPolarHBondContact O-CB 3.2Å; I899-M903 PolarHBondContact O-N 2.92Å; V900-M903 PolarHBondContact O-N 3.48Å; M903-I905 PolarHBondContact O-N 2.94Å; M903-F906 PolarHBondContact O-N 3Å; M903-L907 HydrophobicContact CE-CD1 3.88Å; M903-L907 HydrophobicContact CG-CD1 3.75Å; M903-L907 HydrophobicContact CG-CG 4.04Å; M903-L907 VanDerWaalsContact O-CB 3.23Å; M903-L907 WeakPolarHBondContact O-CB 3.33Å; M903-L907 WeakPolarHBondContact O-CG 3.28Å; M903-L907 PolarHBondContact O-N 3.49Å
904T76.4Confident84Confident10 Ų1033.1 Ų33.16%0.06119%0.189CC..Hα-helixtrans-60.6-48.3177.5-60.40000112.8L867 S870 S902 M908L867-T904 HydrophobicContact CD1-CG2 3.27Å; S870-T904 WeakPolarHBondContact CB-OG1 3.48Å; S870-T904 PolarHBondContact OG-OG1 3.44Å; S902-T904 VanDerWaalsContact C-N 3.27Å; S902-T904 PolarHBondContact O-N 3.4Å; T904-M908 PolarHBondContact O-N 3.22Å
905I77.9Confident84.2Confident49 Ų4937 Ų3725%0.25121%0.206SC..Hα-helixtrans-67.3-44.3179-61.6168.3000109.9L11 S902 M903 M908 L909L11-I905 HydrophobicContact CD1-CD1 3.55Å; L11-I905 HydrophobicContact CD1-CG1 3.75Å; L11-I905 HydrophobicContact CD1-CG2 3.96Å; S902-I905 PolarHBondContact O-N 2.95Å; M903-I905 PolarHBondContact O-N 2.94Å; I905-M908 WeakPolarHBondContact O-CB 3.43Å; I905-M908 PolarHBondContact O-N 3.5Å; I905-L909 PolarHBondContact O-N 3.16Å; I905-L909 VanDerWaalsContact O-N 3.13Å
906F83.4Confident84.6Confident62 Ų6238 Ų3827%0.27221%0.211SC..Hα-helixtrans-62.2-45.1-179.5-177.9-105.8000111.8I838 F841 S902 M903 M908 L909 L910I838-F906 HydrophobicContact CB-CZ 4.47Å; I838-F906 HydrophobicContact CD1-CE2 4.07Å; I838-F906 HydrophobicContact CD1-CZ 3.82Å; I838-F906 HydrophobicContact CG1-CE1 4.33Å; I838-F906 HydrophobicContact CG1-CE2 4.31Å; I838-F906 HydrophobicContact CG1-CZ 3.59Å; I838-F906 HydrophobicContact CG2-CZ 4.22Å; F841-F906 AromaticContact CD2-CD1 3.97Å; F841-F906 HydrophobicContact CD2-CD1 3.97Å; F841-F906 AromaticContact CD2-CE1 3.6Å; F841-F906 HydrophobicContact CD2-CE1 3.6Å; F841-F906 HydrophobicContact CE2-CD1 4.18Å; F841-F906 HydrophobicContact CE2-CE1 4.13Å; F841-F906 HydrophobicContact CG-CE1 4.49Å; S902-F906 WeakPolarHBondContact O-CB 3.37Å; S902-F906 PolarHBondContact O-N 2.94Å; M903-F906 PolarHBondContact O-N 3Å; F906-M908 VanDerWaalsContact C-N 3.26Å; F906-M908 PolarHBondContact O-N 3.33Å; F906-L909 PolarHBondContact O-N 2.88Å; F906-L910 HydrophobicContact CE1-CB 4.41Å; F906-L910 HydrophobicContact CE1-CD2 3.85Å; F906-L910 HydrophobicContact CZ-CD1 4.34Å; F906-L910 HydrophobicContact CZ-CD2 4.3Å; F906-L910 VanDerWaalsContact O-CB 3.26Å; F906-L910 WeakPolarHBondContact O-CB 3.27Å; F906-L910 PolarHBondContact O-N 3.15Å
907L83.8Confident84.6Confident1 Ų137.8 Ų37.81%0.00521%0.21CC..Hα-helixtrans-62.7-32.3176.8-72.6178.2000112.5F792 I796 M845 V866 M903 S911F792-L907 HydrophobicContact CE1-CD1 3.96Å; F792-L907 HydrophobicContact CZ-CD1 4.05Å; F792-L907 HydrophobicContact CZ-CD2 4.04Å; I796-L907 HydrophobicContact CD1-CD2 3.84Å; I796-L907 HydrophobicContact CG1-CD2 4.06Å; I796-L907 HydrophobicContact CG2-CD2 4.23Å; M845-L907 HydrophobicContact CG-CD2 4.38Å; M845-L907 HydrophobicContact SD-CD2 3.99Å; V866-L907 HydrophobicContact CG1-CD1 4.45Å; M903-L907 HydrophobicContact CE-CD1 3.88Å; M903-L907 HydrophobicContact CG-CD1 3.75Å; M903-L907 HydrophobicContact CG-CG 4.04Å; M903-L907 VanDerWaalsContact O-CB 3.23Å; M903-L907 WeakPolarHBondContact O-CB 3.33Å; M903-L907 WeakPolarHBondContact O-CG 3.28Å; M903-L907 PolarHBondContact O-N 3.49Å; L907-S911 WeakPolarHBondContact O-CB 3.07Å; L907-S911 PolarHBondContact O-N 3.27Å
908M79.3Confident84.6Confident49 Ų4937.8 Ų37.824%0.24121%0.21CC..Hα-helixtrans-65.4-48.7173.3-172.6-177.362.900111.5F7 F863 T904 I905 F906 L910 S911 V912F7-M908 HydrophobicContact CD1-SD 3.39Å; F7-M908 WeakPolarHBondContact CD1-SD 3.16Å; F7-M908 HydrophobicContact CE1-CG 4.44Å; F7-M908 HydrophobicContact CE1-SD 3.77Å; F7-M908 HydrophobicContact CG-SD 4.14Å; F863-M908 HydrophobicContact CE2-CB 4.11Å; F863-M908 HydrophobicContact CZ-CB 3.74Å; F863-M908 HydrophobicContact CZ-CG 4.21Å; T904-M908 PolarHBondContact O-N 3.22Å; I905-M908 WeakPolarHBondContact O-CB 3.43Å; I905-M908 PolarHBondContact O-N 3.5Å; F906-M908 VanDerWaalsContact C-N 3.26Å; F906-M908 PolarHBondContact O-N 3.33Å; M908-L910 VanDerWaalsContact C-N 3.33Å; M908-S911 WeakPolarHBondContact O-CB 3.39Å; M908-S911 PolarHBondContact O-N 2.98Å; M908-V912 PolarHBondContact O-N 3.43Å
909L83.4Confident84.6Confident100 Ų10036.5 Ų36.552%0.52420%0.203SC..Hα-helixtrans-62.3-44.2176.6-67.1173.7000110.9I905 F906 S911 V912 V913I905-L909 PolarHBondContact O-N 3.16Å; I905-L909 VanDerWaalsContact O-N 3.13Å; F906-L909 PolarHBondContact O-N 2.88Å; L909-S911 VanDerWaalsContact C-N 3.26Å; L909-S911 PolarHBondContact O-N 2.88Å; L909-V912 WeakPolarHBondContact O-CB 3.3Å; L909-V912 PolarHBondContact O-N 3.07Å; L909-V913 PolarHBondContact O-N 3.25Å
910L85.8Confident84.8Confident7 Ų740.9 Ų40.94%0.03722%0.221CC..Hα-helixtrans-62.5-35.1177.9-166.861.6000111.6I838 F841 I842 M845 F906 M908 V912 V913 T914I838-L910 HydrophobicContact CG2-CD1 4.19Å; F841-L910 HydrophobicContact CB-CD2 3.51Å; F841-L910 HydrophobicContact CD2-CD2 4.44Å; I842-L910 HydrophobicContact CG1-CD1 3.71Å; M845-L910 HydrophobicContact CB-CD2 4.49Å; M845-L910 HydrophobicContact CG-CD2 3.62Å; M845-L910 HydrophobicContact CG-CG 4Å; F906-L910 HydrophobicContact CE1-CB 4.41Å; F906-L910 HydrophobicContact CE1-CD2 3.85Å; F906-L910 HydrophobicContact CZ-CD1 4.34Å; F906-L910 HydrophobicContact CZ-CD2 4.3Å; F906-L910 VanDerWaalsContact O-CB 3.26Å; F906-L910 WeakPolarHBondContact O-CB 3.27Å; F906-L910 PolarHBondContact O-N 3.15Å; M908-L910 VanDerWaalsContact C-N 3.33Å; L910-V912 VanDerWaalsContact C-N 3.27Å; L910-V912 PolarHBondContact O-N 3.43Å; L910-V913 HydrophobicContact CD1-CB 4.49Å; L910-V913 PolarHBondContact O-N 3.25Å; L910-V913 VanDerWaalsContact O-N 3.16Å; L910-T914 HydrophobicContact CG-CG2 4.19Å; L910-T914 VanDerWaalsContact O-CG2 3.26Å; L910-T914 WeakPolarHBondContact O-CG2 3.47Å; L910-T914 PolarHBondContact O-N 2.91Å; L910-T914 PolarHBondContact O-OG1 3.37Å
911S83.7Confident84.7Confident45 Ų4546.2 Ų46.232%0.31524%0.24SC..Hα-helixtrans-61-35.1174.3-175.10000112.5M845 L907 M908 L909 T914 H915M845-S911 VanDerWaalsContact CE-CA 3.41Å; M845-S911 VanDerWaalsContact CE-CB 3.5Å; L907-S911 WeakPolarHBondContact O-CB 3.07Å; L907-S911 PolarHBondContact O-N 3.27Å; M908-S911 WeakPolarHBondContact O-CB 3.39Å; M908-S911 PolarHBondContact O-N 2.98Å; L909-S911 VanDerWaalsContact C-N 3.26Å; L909-S911 PolarHBondContact O-N 2.88Å; S911-T914 WeakPolarHBondContact CA-OG1 3.44Å; S911-T914 PolarHBondContact O-OG1 3.35Å; S911-H915 VanDerWaalsContact O-CB 3.22Å; S911-H915 WeakPolarHBondContact O-CB 3.5Å; S911-H915 PolarHBondContact O-N 3Å
912V84.4Confident84.7Confident95 Ų9550.1 Ų50.158%0.57626%0.261SS*.Hα-helixtrans-68.7-45174.8178.70000109.9M908 L909 L910 H915 V916M908-V912 PolarHBondContact O-N 3.43Å; L909-V912 WeakPolarHBondContact O-CB 3.3Å; L909-V912 PolarHBondContact O-N 3.07Å; L910-V912 VanDerWaalsContact C-N 3.27Å; L910-V912 PolarHBondContact O-N 3.43Å; V912-H915 PolarHBondContact O-N 2.98Å; V912-V916 WeakPolarHBondContact O-CG2 3.48Å; V912-V916 PolarHBondContact O-N 3.09Å
913V86.6Confident84.4Confident68 Ų6853.8 Ų53.841%0.41228%0.275SS..Hα-helixtrans-62-47.5178.3175.90000111.2L909 L910 H915 V916 L917L909-V913 PolarHBondContact O-N 3.25Å; L910-V913 HydrophobicContact CD1-CB 4.49Å; L910-V913 PolarHBondContact O-N 3.25Å; L910-V913 VanDerWaalsContact O-N 3.16Å; V913-H915 VanDerWaalsContact C-N 3.33Å; V913-H915 PolarHBondContact O-N 3.34Å; V913-V916 PolarHBondContact O-N 3.5Å; V913-L917 HydrophobicContact CG1-CD1 3.97Å; V913-L917 HydrophobicContact CG1-CG 4.42Å; V913-L917 WeakPolarHBondContact O-CG 3.49Å; V913-L917 PolarHBondContact O-N 3.15Å
914T87.7Confident83.4Confident1 Ų159.7 Ų59.71%0.00631%0.306CS..Hα-helixtrans-64.6-40.3179.1620000111.1I842 M845 L910 S911 V916 L917 T918I842-T914 HydrophobicContact CG2-CG2 4.21Å; M845-T914 HydrophobicContact CB-CG2 3.43Å; M845-T914 VanDerWaalsContact CB-CG2 3.43Å; M845-T914 HydrophobicContact CG-CG2 4.31Å; L910-T914 HydrophobicContact CG-CG2 4.19Å; L910-T914 VanDerWaalsContact O-CG2 3.26Å; L910-T914 WeakPolarHBondContact O-CG2 3.47Å; L910-T914 PolarHBondContact O-N 2.91Å; L910-T914 PolarHBondContact O-OG1 3.37Å; S911-T914 WeakPolarHBondContact CA-OG1 3.44Å; S911-T914 PolarHBondContact O-OG1 3.35Å; T914-V916 VanDerWaalsContact C-N 3.3Å; T914-V916 PolarHBondContact O-N 3.45Å; T914-L917 PolarHBondContact O-N 3.36Å; T914-L917 VanDerWaalsContact O-N 3.14Å; T914-T918 WeakPolarHBondContact O-CB 3.46Å; T914-T918 VanDerWaalsContact O-CG2 3.32Å; T914-T918 WeakPolarHBondContact O-CG2 3.47Å; T914-T918 PolarHBondContact O-N 3.5Å; T914-T918 PolarHBondContact O-OG1 2.99Å
915H86.7Confident82.3Confident94 Ų9470 Ų7044%0.43535%0.345SS..Hα-helixtrans-60.1-41.2175.4-17562000112.1E849 S911 V912 V913 T918 S919E849-H915 WeakPolarHBondContact OE1-CA 3.38Å; E849-H915 IonicContact OE1-CE1 2.85Å; E849-H915 IonicContact OE1-CG 3.12Å; E849-H915 IonicContact OE1-ND1 3.67Å; E849-H915 PolarHBondContact OE1-ND1 3.37Å; S911-H915 VanDerWaalsContact O-CB 3.22Å; S911-H915 WeakPolarHBondContact O-CB 3.5Å; S911-H915 PolarHBondContact O-N 3Å; V912-H915 PolarHBondContact O-N 2.98Å; V913-H915 VanDerWaalsContact C-N 3.33Å; V913-H915 PolarHBondContact O-N 3.34Å; H915-T918 PolarHBondContact O-OG1 3.29Å; H915-S919 VanDerWaalsContact O-CB 3.26Å; H915-S919 WeakPolarHBondContact O-CB 3.46Å; H915-S919 PolarHBondContact O-N 3.22Å; H915-S919 PolarHBondContact O-OG 3.16Å
916V88.3Confident80.7Confident63 Ų6374.5 Ų74.538%0.38237%0.369SS..Hα-helixtrans-64.1-47.3173.8171.40000110.7V912 V913 T914 T918 K920V912-V916 WeakPolarHBondContact O-CG2 3.48Å; V912-V916 PolarHBondContact O-N 3.09Å; V913-V916 PolarHBondContact O-N 3.5Å; T914-V916 VanDerWaalsContact C-N 3.3Å; T914-V916 PolarHBondContact O-N 3.45Å; V916-T918 VanDerWaalsContact C-N 3.32Å; V916-T918 PolarHBondContact O-N 3.34Å; V916-K920 HydrophobicContact CG1-CG 4.2Å; V916-K920 VanDerWaalsContact O-CB 3.29Å; V916-K920 WeakPolarHBondContact O-CB 3.31Å; V916-K920 PolarHBondContact O-N 3.1Å; V916-K920 VanDerWaalsContact O-N 3.11Å
917L88.4Confident78.7Confident7 Ų782.4 Ų82.44%0.03740%0.397CS..Hα-helixtrans-61.2-37.7-179.7-75.7173000113I698 L702 R711 I715 I842 V913 T914I698-L917 HydrophobicContact CG2-CD2 4.13Å; L702-L917 HydrophobicContact CD2-CD2 4.29Å; L702-L917 HydrophobicContact CG-CD2 4.47Å; R711-L917 VanDerWaalsContact CD-O 3.24Å; R711-L917 WeakPolarHBondContact CD-O 3.36Å; R711-L917 PolarHBondContact NE-O 3.34Å; R711-L917 PolarHBondContact NH1-O 3.24Å; I715-L917 HydrophobicContact CD1-CB 4.27Å; I842-L917 HydrophobicContact CG2-CD1 4.14Å; V913-L917 HydrophobicContact CG1-CD1 3.97Å; V913-L917 HydrophobicContact CG1-CG 4.42Å; V913-L917 WeakPolarHBondContact O-CG 3.49Å; V913-L917 PolarHBondContact O-N 3.15Å; T914-L917 PolarHBondContact O-N 3.36Å; T914-L917 VanDerWaalsContact O-N 3.14Å
918T88.6Confident76.6Confident0 Ų087 Ų870%043%0.43CS..Hα-helixtrans-83.2-45.8-176.856.70000112.4R711 I715 F769 C846 E849 T914 H915 V916R711-T918 PolarHBondContact NE-O 3.24Å; I715-T918 HydrophobicContact CD1-CG2 4.22Å; F769-T918 VanDerWaalsContact CB-O 3.29Å; F769-T918 WeakPolarHBondContact CB-O 3.5Å; F769-T918 HydrophobicContact CE1-CG2 4.3Å; F769-T918 HydrophobicContact CE2-CG2 4.33Å; F769-T918 HydrophobicContact CZ-CG2 4.17Å; C846-T918 HydrophobicContact CB-CG2 4.31Å; E849-T918 PolarHBondContact OE1-OG1 3.2Å; E849-T918 PolarHBondContact OE2-OG1 3.45Å; T914-T918 WeakPolarHBondContact O-CB 3.46Å; T914-T918 VanDerWaalsContact O-CG2 3.32Å; T914-T918 WeakPolarHBondContact O-CG2 3.47Å; T914-T918 PolarHBondContact O-N 3.5Å; T914-T918 PolarHBondContact O-OG1 2.99Å; H915-T918 PolarHBondContact O-OG1 3.29Å; V916-T918 VanDerWaalsContact C-N 3.32Å; V916-T918 PolarHBondContact O-N 3.34Å
919S86.1Confident74.8Confident12 Ų1293.8 Ų93.88%0.08446%0.458CS..Hα-helixtrans-94.2-23.2-168.573.50000115.5S770 H915S770-S919 WeakPolarHBondContact CB-O 3.48Å; H915-S919 VanDerWaalsContact O-CB 3.26Å; H915-S919 WeakPolarHBondContact O-CB 3.46Å; H915-S919 PolarHBondContact O-N 3.22Å; H915-S919 PolarHBondContact O-OG 3.16Å
920K88.2Confident72.6Confident125 Ų12595.7 Ų95.754%0.54347%0.465SS..  trans-92.5146.4-178.5-59.1-62.5-177-176.50111.8L702 R711 V916L702-K920 HydrophobicContact CD2-CB 4.45Å; R711-K920 PolarHBondContact NH2-O 2.99Å; V916-K920 HydrophobicContact CG1-CG 4.2Å; V916-K920 VanDerWaalsContact O-CB 3.29Å; V916-K920 WeakPolarHBondContact O-CB 3.31Å; V916-K920 PolarHBondContact O-N 3.1Å; V916-K920 VanDerWaalsContact O-N 3.11Å
921R88.1Confident70.5Confident116 Ų116103.8 Ų103.844%0.43850%0.503SS..  trans-129128.1173.1-170177.6-174.4-176.54.4110.2D651 L702 S704 T706D651-R921 IonicContact OD1-NH2 3.77Å; L702-R921 CarbonylContact O-C 3.47Å; L702-R921 VanDerWaalsContact O-CA 3.29Å; L702-R921 WeakPolarHBondContact O-CA 3.44Å; S704-R921 WeakPolarHBondContact O-CD 3.47Å; S704-R921 PolarHBondContact O-NE 2.83Å; T706-R921 HydrophobicContact CG2-CB 4.05Å
922L85.4Confident68.5Low86 Ų86109.6 Ų109.645%0.4552%0.523SS..  trans-86.3126.1170.8-68174.5000109L702 L703L702-L922 HydrophobicContact CB-CB 4.44Å; L702-L922 HydrophobicContact CB-CD1 3.84Å; L702-L922 HydrophobicContact CB-CG 3.94Å; L702-L922 HydrophobicContact CD1-CD1 3.91Å; L702-L922 HydrophobicContact CD1-CG 4.35Å; L702-L922 PolarHBondContact O-N 3.33Å; L703-L922 HydrophobicContact CD2-CB 3.94Å
923I76.8Confident67Low125 Ų125114.3 Ų114.364%0.64156%0.555SS**  trans-104.6100.2178.3-57.9173.9000107.8W925I923-W925 PolarHBondContact O-N 3.17Å
924L63.4Low66Low138 Ų138116.6 Ų116.672%0.72356%0.562SS**  trans-80106171-69.2166.8000107.8L703L703-L924 HydrophobicContact CD1-CD1 4.13Å; L703-L924 HydrophobicContact CD2-CD1 3.47Å; L703-L924 VanDerWaalsContact CD2-CD1 3.47Å; L703-L924 HydrophobicContact CD2-CG 3.96Å; L703-L924 HydrophobicContact CG-CD1 4.47Å
925W51.3Low64.9Low228 Ų228122.7 Ų122.786%0.86459%0.591SS**  trans81.2100.5174.6-139.1-75.5000116.8I923 R927I923-W925 PolarHBondContact O-N 3.17Å; W925-R927 PolarHBondContact O-N 3.49Å
926N45Very low63.7Low143 Ų143124.3 Ų124.377%0.76560%0.6SS**  trans-68.7105.2159.9-105.5-9.4000108S928N926-S928 PolarHBondContact O-N 3.18Å
927R42.3Very low62.2Low227 Ų227127.9 Ų127.986%0.85761%0.613SS**  trans-66.4114.1157-84.3-171175.7-169.9-2.2106.5W925 K929W925-R927 PolarHBondContact O-N 3.49Å; R927-K929 PolarHBondContact O-N 3.22Å
928S39Very low60.6Low99 Ų99135.4 Ų135.469%0.69265%0.649SS**  trans-52.9127.8169.262.20000107.8N926 M930N926-S928 PolarHBondContact O-N 3.18Å; S928-M930 PolarHBondContact O-N 3.14Å
929K40.8Very low58.7Low191 Ų191144.5 Ų144.583%0.8369%0.692SS**  trans-66.1102167.3-77.4-179175.4-179.70106.1R927 H931R927-K929 PolarHBondContact O-N 3.22Å; K929-H931 PolarHBondContact O-N 2.98Å; K929-H931 VanDerWaalsContact O-N 3.14Å
930M37.7Very low56.8Low140 Ų140153.9 Ų153.969%0.6974%0.736SS**  trans-68.6106.6161.7-73.4-165.4-48.900107.1S928 F932S928-M930 PolarHBondContact O-N 3.14Å; M930-F932 HydrophobicContact CE-CD2 4.4Å; M930-F932 HydrophobicContact CE-CE2 3.51Å; M930-F932 HydrophobicContact CE-CZ 4.09Å; M930-F932 PolarHBondContact O-N 3.33Å; M930-F932 HydrophobicContact SD-CE2 4.42Å
931H41.9Very low54.3Low177 Ų177156.2 Ų156.282%0.81975%0.75SS**  trans-65.9112.5154.7-79-71000106.6K929K929-H931 PolarHBondContact O-N 2.98Å; K929-H931 VanDerWaalsContact O-N 3.14Å
932F41.6Very low51.5Low167 Ų167159.5 Ų159.573%0.73278%0.776SS**  trans-82.1140.2159.4-90.1-81.2000108.1M930M930-F932 HydrophobicContact CE-CD2 4.4Å; M930-F932 HydrophobicContact CE-CE2 3.51Å; M930-F932 HydrophobicContact CE-CZ 4.09Å; M930-F932 PolarHBondContact O-N 3.33Å; M930-F932 HydrophobicContact SD-CE2 4.42Å
933P53.1Low48.4Very low193 Ų193166.2 Ų166.2100%1.25381%0.806SS**  trans-66.40-171.128.1-34.4000114.2

Retrieved 933 of 933 residues in 497.7 ms (Link to these results)

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