A0A096M0V2_POEFO Loading...

Solute carrier family 22 member 16

AlphaFold DB , UniProt , Accession A0A096M0V2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 580 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
1A29.9Very low54.8Low147 Ų14787.5 Ų87.5100%1.21547%0.468SS*.  0123.6000000108.1M3A1-M3 PolarHBondContact O-N 3.48Å; A1-M3 VanDerWaalsContact O-N 3.16Å
2K29.2Very low55.7Low194 Ų19480.8 Ų80.884%0.84343%0.431SS*.  trans-62115-177.8-78.1176.5175176.70109.2T4K2-T4 PolarHBondContact O-N 3.04Å; K2-T4 VanDerWaalsContact O-N 3.14Å; K2-T4 PolarHBondContact O-OG1 3.27Å
3M37.9Very low56.5Low68 Ų6875.5 Ų75.534%0.33541%0.408SS..  trans-70.7104.6174.1-94.1174.571.800108.8A1 D323A1-M3 PolarHBondContact O-N 3.48Å; A1-M3 VanDerWaalsContact O-N 3.16Å; M3-D323 WeakPolarHBondContact CE-O 3.13Å
4T52.6Low57.3Low80 Ų8072.1 Ų72.149%0.49139%0.388SS..  trans-93.1138.3-178.3-36.20000109.9K2 E6 R7K2-T4 PolarHBondContact O-N 3.04Å; K2-T4 VanDerWaalsContact O-N 3.14Å; K2-T4 PolarHBondContact O-OG1 3.27Å; T4-E6 HydrophobicContact CG2-CG 4.34Å; T4-E6 PolarHBondContact O-N 3.15Å; T4-R7 PolarHBondContact O-N 2.97Å
5V55.8Low58.5Low78 Ų7871.2 Ų71.247%0.47338%0.379SS..THydrogen-bonded Turntrans-31.8-29.2165.71580000115.5R7 M8 F291V5-R7 VanDerWaalsContact C-N 3.3Å; V5-R7 PolarHBondContact O-N 2.84Å; V5-M8 WeakPolarHBondContact O-CB 3.33Å; V5-M8 PolarHBondContact O-N 3.43Å; V5-F291 HydrophobicContact CB-CE1 4.09Å; V5-F291 HydrophobicContact CG1-CD1 4.16Å; V5-F291 HydrophobicContact CG1-CE1 3.11Å; V5-F291 HydrophobicContact CG1-CE2 4.32Å; V5-F291 HydrophobicContact CG1-CZ 3.22Å; V5-F291 HydrophobicContact CG2-CE1 3.96Å
6E60.8Low59.9Low80 Ų8073.6 Ų73.637%0.37439%0.386SS..Hα-helixtrans-65-24.9178.5-63-171.2139.700114.7T4 M8 F9 D10 S234T4-E6 HydrophobicContact CG2-CG 4.34Å; T4-E6 PolarHBondContact O-N 3.15Å; E6-M8 PolarHBondContact O-N 2.6Å; E6-F9 PolarHBondContact O-N 2.64Å; E6-D10 PolarHBondContact O-N 3.37Å; E6-D10 VanDerWaalsContact O-N 3.16Å; E6-S234 WeakPolarHBondContact OE1-CB 3.32Å; E6-S234 PolarHBondContact OE1-OG 3.15Å
7R64.6Low61.3Low132 Ų13281.2 Ų81.250%0.49841%0.408SS..Hα-helixtrans-60.5-29.6176.1-76.5-173.790.4-178.36.2112.7T4 V5 F9 D10 E11T4-R7 PolarHBondContact O-N 2.97Å; V5-R7 VanDerWaalsContact C-N 3.3Å; V5-R7 PolarHBondContact O-N 2.84Å; R7-F9 VanDerWaalsContact C-N 3.29Å; R7-F9 PolarHBondContact O-N 2.86Å; R7-D10 PolarHBondContact O-N 3.45Å; R7-E11 PolarHBondContact O-N 3.11Å
8M68.3Low62.5Low9 Ų978.2 Ų78.24%0.04439%0.392CS..Hα-helixtrans-58.4-43.5174.1-173.8-171.177.200110.8V5 E6 E11 Y12 P290 F291 L306 L324V5-M8 WeakPolarHBondContact O-CB 3.33Å; V5-M8 PolarHBondContact O-N 3.43Å; E6-M8 PolarHBondContact O-N 2.6Å; M8-E11 PolarHBondContact O-N 3.27Å; M8-Y12 HydrophobicContact CG-CD2 3.72Å; M8-Y12 HydrophobicContact CG-CE2 4.15Å; M8-Y12 WeakPolarHBondContact O-CB 3.36Å; M8-Y12 WeakPolarHBondContact O-CD2 3.25Å; M8-Y12 PolarHBondContact O-N 3.42Å; M8-P290 HydrophobicContact CE-CG 4.07Å; M8-P290 HydrophobicContact SD-CB 4.37Å; M8-P290 HydrophobicContact SD-CG 4.29Å; M8-F291 HydrophobicContact CE-CE1 4.49Å; M8-F291 HydrophobicContact CE-CE2 4.04Å; M8-F291 HydrophobicContact CE-CZ 3.65Å; M8-F291 HydrophobicContact SD-CZ 4.43Å; M8-L306 HydrophobicContact CG-CD2 4.09Å; M8-L306 HydrophobicContact SD-CD2 3.68Å; M8-L324 HydrophobicContact CG-CD1 4.5Å
9F69.7Low63.6Low5 Ų574.4 Ų74.42%0.02237%0.373CS..Hα-helixtrans-77-26.3179.7-64.8-66.9000113.3E6 R7 E11 G13 H14 E230 F231 F291E6-F9 PolarHBondContact O-N 2.64Å; R7-F9 VanDerWaalsContact C-N 3.29Å; R7-F9 PolarHBondContact O-N 2.86Å; F9-E11 VanDerWaalsContact C-N 3.35Å; F9-G13 CarbonylContact O-C 3.54Å; F9-G13 WeakPolarHBondContact O-CA 3.36Å; F9-G13 PolarHBondContact O-N 2.87Å; F9-H14 PolarHBondContact O-CD2 3.11Å; F9-H14 VanDerWaalsContact O-CD2 3.32Å; F9-H14 PolarHBondContact O-N 3.33Å; F9-E230 WeakPolarHBondContact CZ-O 3.49Å; F9-F231 VanDerWaalsContact CE1-O 3.29Å; F9-F231 WeakPolarHBondContact CE1-O 3.48Å; F9-F291 AromaticContact CE2-CE2 3.97Å; F9-F291 HydrophobicContact CE2-CE2 3.97Å; F9-F291 AromaticContact CE2-CZ 3.86Å; F9-F291 HydrophobicContact CE2-CZ 3.86Å; F9-F291 AromaticContact CZ-CE2 3.9Å; F9-F291 HydrophobicContact CZ-CE2 3.9Å; F9-F291 HydrophobicContact CZ-CZ 4.15Å
10D67.3Low64.6Low90 Ų9071.6 Ų71.648%0.48136%0.362SS..Hα-helixtrans-69.2-32.1172.2-71.5-35.8000112.2E6 R7 H14 K235E6-D10 PolarHBondContact O-N 3.37Å; E6-D10 VanDerWaalsContact O-N 3.16Å; R7-D10 PolarHBondContact O-N 3.45Å; D10-H14 IonicContact OD1-CD2 3.16Å; D10-H14 IonicContact OD1-CE1 3.84Å; D10-H14 IonicContact OD1-NE2 2.71Å; D10-H14 PolarHBondContact OD1-NE2 2.91Å; D10-K235 IonicContact OD1-NZ 3.57Å; D10-K235 PolarHBondContact OD1-NZ 3.32Å; D10-K235 VanDerWaalsContact OD1-NZ 3.1Å
11E66.4Low65.6Low79 Ų7972.3 Ų72.337%0.36937%0.372SS..Hα-helixtrans-85.8-44.5175.2-70.7-161.5-169.500113.9R7 M8 F9 G13 L319R7-E11 PolarHBondContact O-N 3.11Å; M8-E11 PolarHBondContact O-N 3.27Å; F9-E11 VanDerWaalsContact C-N 3.35Å; E11-G13 VanDerWaalsContact C-N 3.34Å; E11-L319 HydrophobicContact CB-CD1 3.9Å; E11-L319 HydrophobicContact CG-CD1 3.83Å; E11-L319 WeakPolarHBondContact OE2-CD1 3.34Å; E11-L319 VanDerWaalsContact OE2-CG 3.28Å; E11-L319 WeakPolarHBondContact OE2-CG 3.4Å
12Y66.3Low68.1Low7 Ų766.3 Ų66.33%0.02732%0.319CS..Hα-helixtrans-86.4-5.5-177-67.7-70.8000114.1M8 L306 A310 N313 L315 L319M8-Y12 HydrophobicContact CG-CD2 3.72Å; M8-Y12 HydrophobicContact CG-CE2 4.15Å; M8-Y12 WeakPolarHBondContact O-CB 3.36Å; M8-Y12 WeakPolarHBondContact O-CD2 3.25Å; M8-Y12 PolarHBondContact O-N 3.42Å; Y12-L306 HydrophobicContact CD2-CD2 4.32Å; Y12-L306 HydrophobicContact CE2-CD2 4.04Å; Y12-A310 HydrophobicContact CD1-CB 4.06Å; Y12-A310 HydrophobicContact CE1-CB 3.61Å; Y12-N313 PolarHBondContact O-ND2 3.19Å; Y12-L315 VanDerWaalsContact O-CD1 3.32Å; Y12-L315 WeakPolarHBondContact O-CD1 3.31Å; Y12-L319 HydrophobicContact CE2-CB 4.11Å; Y12-L319 HydrophobicContact CE2-CD1 4.24Å
13G66Low70.8Confident13 Ų1357.3 Ų57.313%0.13428%0.28CS..  trans85.4140.5-174.900000112.7F9 E11 Q19F9-G13 CarbonylContact O-C 3.54Å; F9-G13 WeakPolarHBondContact O-CA 3.36Å; F9-G13 PolarHBondContact O-N 2.87Å; E11-G13 VanDerWaalsContact C-N 3.34Å; G13-Q19 PolarHBondContact O-NE2 3.16Å; G13-Q19 PolarHBondContact O-OE1 3.25Å
14H67.9Low73.1Confident27 Ų2760 Ų6013%0.12529%0.29CS..SBendtrans-71.5-29.1-177.1-73.1-96.8000113.3F9 D10 G233 V236F9-H14 PolarHBondContact O-CD2 3.11Å; F9-H14 VanDerWaalsContact O-CD2 3.32Å; F9-H14 PolarHBondContact O-N 3.33Å; D10-H14 IonicContact OD1-CD2 3.16Å; D10-H14 IonicContact OD1-CE1 3.84Å; D10-H14 IonicContact OD1-NE2 2.71Å; D10-H14 PolarHBondContact OD1-NE2 2.91Å; H14-G233 WeakPolarHBondContact ND1-CA 3.25Å; H14-V236 HydrophobicContact CB-CG1 4.32Å; H14-V236 HydrophobicContact CB-CG2 4.29Å; H14-V236 WeakPolarHBondContact O-CG2 3.39Å
15F74.1Confident74.7Confident59 Ų5957.6 Ų57.626%0.25928%0.279SS..SBendtrans-158.991.6177-162.1-101.4000111.4A20 Y23 T232 V236 W239 T240F15-A20 HydrophobicContact CD1-CB 4.39Å; F15-A20 HydrophobicContact CE1-CB 3.72Å; F15-A20 HydrophobicContact CZ-CB 3.87Å; F15-Y23 AromaticContact CE2-CD1 3.96Å; F15-Y23 HydrophobicContact CE2-CD1 3.96Å; F15-Y23 HydrophobicContact CE2-CD2 4.42Å; F15-Y23 HydrophobicContact CE2-CE1 4.41Å; F15-Y23 AromaticContact CE2-CG 3.9Å; F15-Y23 HydrophobicContact CE2-CG 3.9Å; F15-Y23 AromaticContact CZ-CD1 3.61Å; F15-Y23 HydrophobicContact CZ-CD1 3.61Å; F15-Y23 HydrophobicContact CZ-CE1 4.01Å; F15-Y23 HydrophobicContact CZ-CG 4.03Å; F15-T232 HydrophobicContact CD2-CG2 4.17Å; F15-T232 HydrophobicContact CE2-CG2 4.43Å; F15-V236 HydrophobicContact CB-CG1 4.25Å; F15-V236 HydrophobicContact CB-CG2 4.38Å; F15-W239 HydrophobicContact CE1-CH2 4.37Å; F15-W239 HydrophobicContact CE1-CZ3 4.18Å; F15-W239 HydrophobicContact CE2-CZ3 4.2Å; F15-W239 HydrophobicContact CZ-CH2 4.33Å; F15-W239 AromaticContact CZ-CZ3 3.89Å; F15-W239 HydrophobicContact CZ-CZ3 3.89Å; F15-T240 HydrophobicContact CE2-CG2 4.26Å
16K82.3Confident76.1Confident110 Ų11054 Ų5448%0.47826%0.257SS..  trans-115.5-176.7179.8-67.8-72.1-174.4173.20111F18 Q19 A20 N313K16-F18 VanDerWaalsContact C-N 3.34Å; K16-F18 PolarHBondContact O-N 3.32Å; K16-Q19 PolarHBondContact O-N 3.44Å; K16-A20 WeakPolarHBondContact O-CB 3.49Å; K16-A20 PolarHBondContact O-N 3.13Å; K16-N313 HydrophobicContact CB-CB 4.22Å; K16-N313 VanDerWaalsContact CB-CG 3.43Å; K16-N313 WeakPolarHBondContact CB-ND2 3.41Å; K16-N313 VanDerWaalsContact CB-OD1 3.31Å; K16-N313 WeakPolarHBondContact CB-OD1 3.36Å
17R83.1Confident77.2Confident203 Ų20350.8 Ų50.877%0.76624%0.243SC*.Hα-helixtrans-54.2-43.8-168.3-67.4-178.1177.6174.8-0.5113.7C21 N313R17-C21 PolarHBondContact O-N 3.11Å; R17-N313 PolarHBondContact N-OD1 3.23Å
18F82.4Confident78.3Confident26 Ų2649 Ų4911%0.11424%0.239CC..Hα-helixtrans-64.5-51179.5-174.7-96.2000112.4K16 A20 C21 L22 P287 I309 F312 N313K16-F18 VanDerWaalsContact C-N 3.34Å; K16-F18 PolarHBondContact O-N 3.32Å; F18-A20 VanDerWaalsContact C-N 3.31Å; F18-A20 PolarHBondContact O-N 3.08Å; F18-C21 PolarHBondContact O-N 3.08Å; F18-L22 HydrophobicContact CD1-CD1 3.81Å; F18-L22 HydrophobicContact CE1-CD1 3.26Å; F18-L22 HydrophobicContact CE1-CG 4.3Å; F18-L22 HydrophobicContact CZ-CD1 3.75Å; F18-L22 PolarHBondContact O-N 2.98Å; F18-L22 VanDerWaalsContact O-N 3.13Å; F18-P287 HydrophobicContact CE1-CG 4.3Å; F18-P287 HydrophobicContact CZ-CG 3.99Å; F18-I309 HydrophobicContact CD1-CG1 3.71Å; F18-I309 HydrophobicContact CE1-CD1 4.27Å; F18-I309 HydrophobicContact CE1-CG1 3.59Å; F18-I309 HydrophobicContact CG-CG1 4.43Å; F18-I309 HydrophobicContact CZ-CG1 4.25Å; F18-F312 HydrophobicContact CB-CB 4.14Å; F18-F312 HydrophobicContact CB-CD1 4.03Å; F18-F312 HydrophobicContact CB-CG 4.4Å; F18-F312 HydrophobicContact CD2-CB 3.97Å; F18-F312 AromaticContact CD2-CD1 3.92Å; F18-F312 HydrophobicContact CD2-CD1 3.92Å; F18-F312 HydrophobicContact CD2-CD2 4.43Å; F18-F312 AromaticContact CD2-CG 3.86Å; F18-F312 HydrophobicContact CD2-CG 3.86Å; F18-F312 HydrophobicContact CG-CB 4.43Å; F18-N313 PolarHBondContact N-OD1 2.87Å
19Q83.5Confident79.2Confident7 Ų748.7 Ų48.73%0.03324%0.237CC..Hα-helixtrans-61.4-41.6178.5-67.9152-35.500110.8G13 K16 L22 Y23 F231G13-Q19 PolarHBondContact O-NE2 3.16Å; G13-Q19 PolarHBondContact O-OE1 3.25Å; K16-Q19 PolarHBondContact O-N 3.44Å; Q19-L22 PolarHBondContact O-N 2.96Å; Q19-Y23 WeakPolarHBondContact O-CB 3.45Å; Q19-Y23 PolarHBondContact O-N 3.35Å; Q19-F231 PolarHBondContact NE2-O 2.77Å
20A83.4Confident80Confident18 Ų1848.5 Ų48.515%0.14924%0.236CC..Hα-helixtrans-61.5-44.2177.400000112.1F15 K16 F18 Y23 F24F15-A20 HydrophobicContact CD1-CB 4.39Å; F15-A20 HydrophobicContact CE1-CB 3.72Å; F15-A20 HydrophobicContact CZ-CB 3.87Å; K16-A20 WeakPolarHBondContact O-CB 3.49Å; K16-A20 PolarHBondContact O-N 3.13Å; F18-A20 VanDerWaalsContact C-N 3.31Å; F18-A20 PolarHBondContact O-N 3.08Å; A20-Y23 PolarHBondContact O-N 3.27Å; A20-F24 HydrophobicContact CB-CD2 4.49Å; A20-F24 HydrophobicContact CB-CE2 4.39Å; A20-F24 WeakPolarHBondContact O-CD2 3.35Å; A20-F24 PolarHBondContact O-N 3.38Å
21C85.2Confident81.1Confident87 Ų8745.1 Ų45.159%0.58822%0.219SC*.Hα-helixtrans-61.9-48.8178.2-172.60000112R17 F18 Y23 A25R17-C21 PolarHBondContact O-N 3.11Å; F18-C21 PolarHBondContact O-N 3.08Å; C21-Y23 VanDerWaalsContact C-N 3.32Å; C21-Y23 PolarHBondContact O-N 3.02Å; C21-A25 WeakPolarHBondContact O-CB 3.3Å; C21-A25 PolarHBondContact O-N 3.16Å
22L83.9Confident82.2Confident20 Ų2041.5 Ų41.511%0.10520%0.203CC..Hα-helixtrans-62.9-41.6176.9-72.1175.8000111.7F18 Q19 A25 A26 F231 F286 P287F18-L22 HydrophobicContact CD1-CD1 3.81Å; F18-L22 HydrophobicContact CE1-CD1 3.26Å; F18-L22 HydrophobicContact CE1-CG 4.3Å; F18-L22 HydrophobicContact CZ-CD1 3.75Å; F18-L22 PolarHBondContact O-N 2.98Å; F18-L22 VanDerWaalsContact O-N 3.13Å; Q19-L22 PolarHBondContact O-N 2.96Å; L22-A25 PolarHBondContact O-N 3.4Å; L22-A26 VanDerWaalsContact O-CB 3.29Å; L22-A26 WeakPolarHBondContact O-CB 3.43Å; L22-A26 PolarHBondContact O-N 2.94Å; L22-F231 HydrophobicContact CD1-CE1 4.37Å; L22-F286 HydrophobicContact CD2-CD1 4.07Å; L22-F286 HydrophobicContact CD2-CD2 4.48Å; L22-F286 HydrophobicContact CD2-CE1 4.18Å; L22-F286 HydrophobicContact CD2-CG 4.23Å; L22-F286 HydrophobicContact CD2-CZ 4.46Å; L22-P287 HydrophobicContact CD1-CG 3.84Å; L22-P287 HydrophobicContact CD2-CG 4.47Å
23Y85.5Confident83.2Confident6 Ų641.2 Ų41.22%0.02420%0.202CC..Hα-helixtrans-61.1-53.1179.2167.5-101.3000112.2F15 Q19 A20 C21 A25 A26 V27 V228 W239 T240 H243F15-Y23 AromaticContact CE2-CD1 3.96Å; F15-Y23 HydrophobicContact CE2-CD1 3.96Å; F15-Y23 HydrophobicContact CE2-CD2 4.42Å; F15-Y23 HydrophobicContact CE2-CE1 4.41Å; F15-Y23 AromaticContact CE2-CG 3.9Å; F15-Y23 HydrophobicContact CE2-CG 3.9Å; F15-Y23 AromaticContact CZ-CD1 3.61Å; F15-Y23 HydrophobicContact CZ-CD1 3.61Å; F15-Y23 HydrophobicContact CZ-CE1 4.01Å; F15-Y23 HydrophobicContact CZ-CG 4.03Å; Q19-Y23 WeakPolarHBondContact O-CB 3.45Å; Q19-Y23 PolarHBondContact O-N 3.35Å; A20-Y23 PolarHBondContact O-N 3.27Å; C21-Y23 VanDerWaalsContact C-N 3.32Å; C21-Y23 PolarHBondContact O-N 3.02Å; Y23-A25 VanDerWaalsContact C-N 3.27Å; Y23-A25 PolarHBondContact O-N 3.11Å; Y23-A26 PolarHBondContact O-N 3.41Å; Y23-V27 HydrophobicContact CD1-CG2 4.45Å; Y23-V27 HydrophobicContact CD2-CG2 3.73Å; Y23-V27 HydrophobicContact CE1-CG2 4.27Å; Y23-V27 HydrophobicContact CE2-CG2 3.5Å; Y23-V27 VanDerWaalsContact CE2-CG2 3.5Å; Y23-V27 HydrophobicContact CG-CG2 4.25Å; Y23-V27 WeakPolarHBondContact O-CB 3.33Å; Y23-V27 WeakPolarHBondContact O-CG2 2.96Å; Y23-V27 PolarHBondContact O-N 2.83Å; Y23-V228 HydrophobicContact CD2-CG1 3.61Å; Y23-V228 HydrophobicContact CD2-CG2 4.18Å; Y23-V228 HydrophobicContact CE2-CG1 3.86Å; Y23-W239 HydrophobicContact CE1-CH2 4.24Å; Y23-W239 HydrophobicContact CE1-CZ3 4.02Å; Y23-W239 AromaticContact CZ-CZ3 3.97Å; Y23-T240 HydrophobicContact CD2-CG2 4.2Å; Y23-T240 HydrophobicContact CE2-CG2 3.64Å; Y23-H243 WeakPolarHBondContact OH-CB 3.49Å
24F86.3Confident84.2Confident124 Ų12440.6 Ų40.654%0.54420%0.195SC..Hα-helixtrans-63-36.5-178.9-76.9-64.1000112A20 F28A20-F24 HydrophobicContact CB-CD2 4.49Å; A20-F24 HydrophobicContact CB-CE2 4.39Å; A20-F24 WeakPolarHBondContact O-CD2 3.35Å; A20-F24 PolarHBondContact O-N 3.38Å; F24-F28 WeakPolarHBondContact O-CB 3.41Å; F24-F28 PolarHBondContact O-N 3.12Å
25A85.6Confident85.3Confident30 Ų3039.5 Ų39.525%0.24819%0.19CC..Hα-helixtrans-67.1-42.5174.800000112.2C21 L22 Y23 F279 F286C21-A25 WeakPolarHBondContact O-CB 3.3Å; C21-A25 PolarHBondContact O-N 3.16Å; L22-A25 PolarHBondContact O-N 3.4Å; Y23-A25 VanDerWaalsContact C-N 3.27Å; Y23-A25 PolarHBondContact O-N 3.11Å; A25-F279 VanDerWaalsContact O-CD2 3.26Å; A25-F279 WeakPolarHBondContact O-CD2 3.36Å; A25-F279 WeakPolarHBondContact O-CE2 3.29Å; A25-F286 HydrophobicContact CB-CE2 4.11Å; A25-F286 HydrophobicContact CB-CZ 3.58Å
26A84.8Confident86.1Confident1 Ų136.8 Ų36.81%0.00818%0.178CC..Hα-helixtrans-64.4-42.517600000112.7L22 Y23 Q29 Y220 V224 V228 F286L22-A26 VanDerWaalsContact O-CB 3.29Å; L22-A26 WeakPolarHBondContact O-CB 3.43Å; L22-A26 PolarHBondContact O-N 2.94Å; Y23-A26 PolarHBondContact O-N 3.41Å; A26-Q29 PolarHBondContact O-N 3.45Å; A26-Y220 PolarHBondContact O-OH 2.94Å; A26-V224 HydrophobicContact CB-CG2 3.74Å; A26-V228 HydrophobicContact CB-CG2 4.1Å; A26-F286 HydrophobicContact CB-CE1 4.12Å
27V85.2Confident86.4Confident14 Ų1431.6 Ų31.69%0.08516%0.156CC..Hα-helixtrans-69.5-35.8-178.7171.10000111.5Y23 Q29 A30 I244 A247Y23-V27 HydrophobicContact CD1-CG2 4.45Å; Y23-V27 HydrophobicContact CD2-CG2 3.73Å; Y23-V27 HydrophobicContact CE1-CG2 4.27Å; Y23-V27 HydrophobicContact CE2-CG2 3.5Å; Y23-V27 VanDerWaalsContact CE2-CG2 3.5Å; Y23-V27 HydrophobicContact CG-CG2 4.25Å; Y23-V27 WeakPolarHBondContact O-CB 3.33Å; Y23-V27 WeakPolarHBondContact O-CG2 2.96Å; Y23-V27 PolarHBondContact O-N 2.83Å; V27-Q29 PolarHBondContact O-N 3.23Å; V27-A30 WeakPolarHBondContact O-CA 3.43Å; V27-A30 VanDerWaalsContact O-CB 3.24Å; V27-A30 WeakPolarHBondContact O-CB 3.38Å; V27-A30 PolarHBondContact O-N 3.38Å; V27-I244 HydrophobicContact CG2-CG1 4.05Å; V27-A247 HydrophobicContact CG1-CB 3.5Å; V27-A247 VanDerWaalsContact CG1-CB 3.5Å; V27-A247 WeakPolarHBondContact O-CB 3.02Å
28F87.7Confident86.6Confident95 Ų9522 Ų2242%0.41712%0.12SC..Hα-helixtrans-53.7-43.1175.6176-97.6000112F24 A30 T31 P278 F279F24-F28 WeakPolarHBondContact O-CB 3.41Å; F24-F28 PolarHBondContact O-N 3.12Å; F28-A30 VanDerWaalsContact C-N 3.27Å; F28-A30 PolarHBondContact O-N 3.1Å; F28-T31 WeakPolarHBondContact O-CB 3.45Å; F28-T31 PolarHBondContact O-N 3.22Å; F28-T31 VanDerWaalsContact O-N 3.14Å; F28-T31 PolarHBondContact O-OG1 3.04Å; F28-P278 HydrophobicContact CE1-CB 3.88Å; F28-P278 HydrophobicContact CE1-CG 4.04Å; F28-P278 HydrophobicContact CZ-CB 4.25Å; F28-P278 HydrophobicContact CZ-CG 4.06Å; F28-F279 HydrophobicContact CD1-CB 4.45Å
29Q87.3Confident86.9Confident1 Ų120.8 Ų20.81%0.00512%0.115CC..Hα-helixtrans-72.4-19178.6-177.966.711.900113.1A26 V27 T31 S32 Y220 T276 F279A26-Q29 PolarHBondContact O-N 3.45Å; V27-Q29 PolarHBondContact O-N 3.23Å; Q29-T31 PolarHBondContact O-N 3.48Å; Q29-S32 WeakPolarHBondContact O-CB 3.28Å; Q29-S32 PolarHBondContact O-N 2.98Å; Q29-Y220 HydrophobicContact CB-CE1 3.78Å; Q29-Y220 HydrophobicContact CB-CE2 4.24Å; Q29-Y220 VanDerWaalsContact CB-CZ 3.5Å; Q29-Y220 VanDerWaalsContact CB-OH 3.27Å; Q29-Y220 WeakPolarHBondContact CB-OH 3.39Å; Q29-Y220 HydrophobicContact CG-CD1 4.05Å; Q29-Y220 HydrophobicContact CG-CD2 4.14Å; Q29-Y220 HydrophobicContact CG-CE1 3.46Å; Q29-Y220 VanDerWaalsContact CG-CE1 3.46Å; Q29-Y220 HydrophobicContact CG-CE2 3.55Å; Q29-Y220 HydrophobicContact CG-CG 4.39Å; Q29-T276 PolarHBondContact OE1-O 2.62Å; Q29-F279 HydrophobicContact CB-CB 3.97Å; Q29-F279 HydrophobicContact CB-CD1 3.87Å; Q29-F279 HydrophobicContact CB-CD2 3.6Å; Q29-F279 HydrophobicContact CB-CE1 4.23Å; Q29-F279 HydrophobicContact CB-CE2 3.98Å; Q29-F279 HydrophobicContact CB-CG 3.53Å; Q29-F279 HydrophobicContact CB-CZ 4.28Å; Q29-F279 HydrophobicContact CG-CB 4.23Å; Q29-F279 HydrophobicContact CG-CD1 3.59Å; Q29-F279 HydrophobicContact CG-CD2 4.28Å; Q29-F279 HydrophobicContact CG-CE1 3.93Å; Q29-F279 HydrophobicContact CG-CG 3.77Å; Q29-F279 HydrophobicContact CG-CZ 4.41Å
30A86.5Confident86.9Confident1 Ų120.8 Ų20.81%0.00812%0.115CC..Hα-helixtrans-65.4-26.8170.500000112.3V27 F28 S32 C33 G34 I244 A247V27-A30 WeakPolarHBondContact O-CA 3.43Å; V27-A30 VanDerWaalsContact O-CB 3.24Å; V27-A30 WeakPolarHBondContact O-CB 3.38Å; V27-A30 PolarHBondContact O-N 3.38Å; F28-A30 VanDerWaalsContact C-N 3.27Å; F28-A30 PolarHBondContact O-N 3.1Å; A30-S32 PolarHBondContact O-N 3.2Å; A30-C33 WeakPolarHBondContact O-CB 3.32Å; A30-C33 PolarHBondContact O-N 3.3Å; A30-G34 PolarHBondContact O-N 3.29Å; A30-I244 HydrophobicContact CB-CG2 4.06Å; A30-A247 HydrophobicContact CB-CB 4.21Å
31T90.1Very high87Confident20 Ų2021 Ų2112%0.12311%0.114CC..Hα-helixtrans-59.2-38.4169.1-58.20000111.5F28 Q29 C33 G34 I35 A247 V250 G251F28-T31 WeakPolarHBondContact O-CB 3.45Å; F28-T31 PolarHBondContact O-N 3.22Å; F28-T31 VanDerWaalsContact O-N 3.14Å; F28-T31 PolarHBondContact O-OG1 3.04Å; Q29-T31 PolarHBondContact O-N 3.48Å; T31-C33 VanDerWaalsContact C-N 3.3Å; T31-C33 PolarHBondContact O-N 3Å; T31-G34 PolarHBondContact O-N 3.48Å; T31-G34 VanDerWaalsContact O-N 3.13Å; T31-I35 HydrophobicContact CG2-CD1 4.37Å; T31-I35 WeakPolarHBondContact O-CG1 3.45Å; T31-I35 PolarHBondContact O-N 3.36Å; T31-A247 WeakPolarHBondContact CA-O 3.46Å; T31-A247 WeakPolarHBondContact CB-O 3.2Å; T31-A247 PolarHBondContact OG1-O 3.38Å; T31-V250 HydrophobicContact CG2-CB 4.31Å; T31-V250 HydrophobicContact CG2-CG1 4.08Å; T31-G251 WeakPolarHBondContact O-CA 3.1Å
32S88.8Confident87Confident3 Ų317.6 Ų17.62%0.0219%0.09CC..Hα-helixtrans-62.4-35.8176.5-177.30000112.9Q29 A30 I35 H36 Q190 T276Q29-S32 WeakPolarHBondContact O-CB 3.28Å; Q29-S32 PolarHBondContact O-N 2.98Å; A30-S32 PolarHBondContact O-N 3.2Å; S32-I35 WeakPolarHBondContact O-CB 3.36Å; S32-I35 PolarHBondContact O-N 3Å; S32-H36 PolarHBondContact O-CD2 3.3Å; S32-H36 PolarHBondContact O-N 3.33Å; S32-H36 VanDerWaalsContact O-N 3.14Å; S32-Q190 PolarHBondContact OG-NE2 3.14Å; S32-T276 VanDerWaalsContact OG-CB 3.27Å; S32-T276 WeakPolarHBondContact OG-CB 3.47Å; S32-T276 WeakPolarHBondContact OG-CG2 3.28Å
33C88.3Confident87.1Confident0 Ų016.6 Ų16.60%09%0.085CC..Hα-helixtrans-63.5-44.9172.4-59.20000111.6A30 T31 I35 H36 Y37 S217 L221 F248A30-C33 WeakPolarHBondContact O-CB 3.32Å; A30-C33 PolarHBondContact O-N 3.3Å; T31-C33 VanDerWaalsContact C-N 3.3Å; T31-C33 PolarHBondContact O-N 3Å; C33-I35 PolarHBondContact O-N 3.36Å; C33-H36 PolarHBondContact O-N 3.27Å; C33-Y37 WeakPolarHBondContact O-CD2 3.18Å; C33-Y37 PolarHBondContact O-N 2.75Å; C33-Y37 VanDerWaalsContact O-N 3.07Å; C33-S217 WeakPolarHBondContact CA-OG 3.33Å; C33-S217 WeakPolarHBondContact CB-OG 3.16Å; C33-S217 PolarHBondContact SG-O 3.38Å; C33-S217 PolarHBondContact SG-OG 2.94Å; C33-S217 VanDerWaalsContact SG-OG 3.4Å; C33-L221 HydrophobicContact CB-CD1 4.06Å; C33-F248 HydrophobicContact CB-CD2 4.34Å; C33-F248 HydrophobicContact CB-CE2 4.46Å
34G86.9Confident87.1Confident0 Ų017.3 Ų17.30%09%0.09CC..Hα-helixtrans-57.2-39.6175.100000112.9A30 T31 L38 F248A30-G34 PolarHBondContact O-N 3.29Å; T31-G34 PolarHBondContact O-N 3.48Å; T31-G34 VanDerWaalsContact O-N 3.13Å; G34-L38 PolarHBondContact O-N 3.39Å; G34-F248 VanDerWaalsContact CA-CD2 3.43Å; G34-F248 VanDerWaalsContact CA-CE2 3.45Å
35I91.1Very high87Confident4 Ų413 Ų132%0.0217%0.071CC..Hα-helixtrans-57.9-59.2175.2-71.9168.9000110.5T31 S32 C33 Y37 L38 A39 G251 V254 V255 L272 C275T31-I35 HydrophobicContact CG2-CD1 4.37Å; T31-I35 WeakPolarHBondContact O-CG1 3.45Å; T31-I35 PolarHBondContact O-N 3.36Å; S32-I35 WeakPolarHBondContact O-CB 3.36Å; S32-I35 PolarHBondContact O-N 3Å; C33-I35 PolarHBondContact O-N 3.36Å; I35-Y37 VanDerWaalsContact C-N 3.31Å; I35-Y37 PolarHBondContact O-N 2.99Å; I35-L38 PolarHBondContact O-N 3.06Å; I35-A39 VanDerWaalsContact O-CB 3.27Å; I35-A39 WeakPolarHBondContact O-CB 3.09Å; I35-A39 PolarHBondContact O-N 3.47Å; I35-G251 WeakPolarHBondContact CG1-O 3.29Å; I35-V254 HydrophobicContact CD1-CB 4.22Å; I35-V254 HydrophobicContact CD1-CG1 3.84Å; I35-V254 HydrophobicContact CG1-CB 4.2Å; I35-V254 HydrophobicContact CG1-CG1 4.18Å; I35-V255 HydrophobicContact CB-CG2 4.18Å; I35-V255 HydrophobicContact CG1-CG2 4.36Å; I35-V255 HydrophobicContact CG2-CG2 3.98Å; I35-V255 VanDerWaalsContact O-CG2 3.26Å; I35-V255 WeakPolarHBondContact O-CG2 3.32Å; I35-L272 HydrophobicContact CG2-CB 3.68Å; I35-L272 HydrophobicContact CG2-CD1 3.68Å; I35-L272 HydrophobicContact CG2-CD2 3.6Å; I35-L272 HydrophobicContact CG2-CG 3.83Å; I35-C275 HydrophobicContact CD1-CB 4.15Å
36H89.9Confident86.9Confident2 Ų215.4 Ų15.41%0.0098%0.083CC..Hα-helixtrans-69.7-26.6-172.9-66.2-65.2000113.9S32 C33 F159 Q190S32-H36 PolarHBondContact O-CD2 3.3Å; S32-H36 PolarHBondContact O-N 3.33Å; S32-H36 VanDerWaalsContact O-N 3.14Å; C33-H36 PolarHBondContact O-N 3.27Å; H36-F159 HydrophobicContact CB-CZ 4.31Å; H36-F159 WeakPolarHBondContact O-CZ 3.49Å; H36-Q190 PolarHBondContact CD2-NE2 3.47Å; H36-Q190 VanDerWaalsContact CD2-NE2 3.35Å
37Y88.8Confident86.9Confident1 Ų116 Ų160%0.0049%0.087CC..Hα-helixtrans-66.7-38.4178.4-90.9-120.7000113.6C33 I35 Q156 F159 M160 V163 S218 F248 Y382C33-Y37 WeakPolarHBondContact O-CD2 3.18Å; C33-Y37 PolarHBondContact O-N 2.75Å; C33-Y37 VanDerWaalsContact O-N 3.07Å; I35-Y37 VanDerWaalsContact C-N 3.31Å; I35-Y37 PolarHBondContact O-N 2.99Å; Y37-Q156 PolarHBondContact O-NE2 2.91Å; Y37-Q156 VanDerWaalsContact O-NE2 3.13Å; Y37-F159 AromaticContact CD2-CE1 3.95Å; Y37-F159 HydrophobicContact CD2-CE1 3.95Å; Y37-F159 HydrophobicContact CD2-CZ 4.28Å; Y37-F159 HydrophobicContact CE2-CE1 4.37Å; Y37-F159 HydrophobicContact CG-CE1 4.08Å; Y37-M160 HydrophobicContact CD1-CE 4.26Å; Y37-V163 HydrophobicContact CE1-CB 4.47Å; Y37-V163 HydrophobicContact CE1-CG1 3.99Å; Y37-V163 HydrophobicContact CE1-CG2 3.68Å; Y37-V163 HydrophobicContact CE2-CG2 3.95Å; Y37-V163 WeakPolarHBondContact OH-CG1 3.36Å; Y37-V163 VanDerWaalsContact OH-CG2 3.28Å; Y37-V163 WeakPolarHBondContact OH-CG2 3.22Å; Y37-S218 WeakPolarHBondContact OH-CB 3.28Å; Y37-F248 HydrophobicContact CD1-CE2 4.16Å; Y37-F248 AromaticContact CD1-CZ 3.91Å; Y37-F248 HydrophobicContact CD1-CZ 3.91Å; Y37-F248 HydrophobicContact CD2-CE2 4.2Å; Y37-F248 AromaticContact CG-CE2 3.92Å; Y37-F248 HydrophobicContact CG-CE2 3.92Å; Y37-F248 AromaticContact CG-CZ 3.84Å; Y37-F248 HydrophobicContact CG-CZ 3.84Å; Y37-Y382 HydrophobicContact CD1-CE1 4.35Å
38L87.9Confident86.8Confident2 Ų217.5 Ų17.51%0.019%0.094CC..Hα-helixtrans-105.1-4.5179.9-70.4-168.3000114.1G34 I35 S40 V41 I252 V255 L386 L399G34-L38 PolarHBondContact O-N 3.39Å; I35-L38 PolarHBondContact O-N 3.06Å; L38-S40 PolarHBondContact O-N 3.46Å; L38-S40 VanDerWaalsContact O-N 3.16Å; L38-V41 HydrophobicContact CD2-CG2 4.2Å; L38-V41 WeakPolarHBondContact O-CB 3.5Å; L38-V41 WeakPolarHBondContact O-CG2 3.22Å; L38-V41 PolarHBondContact O-N 2.85Å; L38-V41 VanDerWaalsContact O-N 3.07Å; L38-I252 HydrophobicContact CD1-CB 4.11Å; L38-I252 HydrophobicContact CD1-CD1 3.62Å; L38-I252 HydrophobicContact CD1-CG1 3.59Å; L38-I252 HydrophobicContact CD1-CG2 3.59Å; L38-I252 HydrophobicContact CG-CG1 4.33Å; L38-V255 HydrophobicContact CB-CG1 4.48Å; L38-L386 HydrophobicContact CD2-CD2 3.72Å; L38-L399 HydrophobicContact CD1-CD1 4.09Å
39A87.8Confident86.8Confident1 Ų114 Ų141%0.0088%0.079CC..Hα-helixtrans-52.1-39.2173.400000111.8I35 V41 F42 L43 Y268 L272I35-A39 VanDerWaalsContact O-CB 3.27Å; I35-A39 WeakPolarHBondContact O-CB 3.09Å; I35-A39 PolarHBondContact O-N 3.47Å; A39-V41 PolarHBondContact O-N 3.18Å; A39-F42 PolarHBondContact O-N 3.4Å; A39-L43 HydrophobicContact CB-CD1 3.72Å; A39-L43 WeakPolarHBondContact O-CD1 3.28Å; A39-L43 WeakPolarHBondContact O-CG 3.48Å; A39-L43 PolarHBondContact O-N 2.9Å; A39-Y268 WeakPolarHBondContact CA-OH 3.48Å; A39-Y268 HydrophobicContact CB-CE1 4.2Å; A39-L272 HydrophobicContact CB-CD1 3.61Å
40S84.8Confident86.7Confident6 Ų614.2 Ų14.24%0.0428%0.08CC..Hα-helixtrans-54.4-24.5180-61.40000114.8L38 L43 V44 Q156L38-S40 PolarHBondContact O-N 3.46Å; L38-S40 VanDerWaalsContact O-N 3.16Å; S40-L43 PolarHBondContact O-N 2.89Å; S40-V44 WeakPolarHBondContact O-CG2 3Å; S40-V44 PolarHBondContact O-N 3.21Å; S40-V44 VanDerWaalsContact O-N 3.09Å; S40-Q156 PolarHBondContact OG-OE1 3.24Å
41V84.4Confident86.7Confident22 Ų2214.2 Ų14.213%0.1338%0.08CC..Hα-helixtrans-61.2-46.3-177.4179.20000111.5L38 A39 L386 V389L38-V41 HydrophobicContact CD2-CG2 4.2Å; L38-V41 WeakPolarHBondContact O-CB 3.5Å; L38-V41 WeakPolarHBondContact O-CG2 3.22Å; L38-V41 PolarHBondContact O-N 2.85Å; L38-V41 VanDerWaalsContact O-N 3.07Å; A39-V41 PolarHBondContact O-N 3.18Å; V41-L386 HydrophobicContact CG2-CD2 3.46Å; V41-L386 VanDerWaalsContact CG2-CD2 3.46Å; V41-V389 HydrophobicContact CG1-CB 4.1Å; V41-V389 HydrophobicContact CG1-CG1 3.48Å; V41-V389 VanDerWaalsContact CG1-CG1 3.48Å; V41-V389 HydrophobicContact CG1-CG2 3.59Å
42F85.8Confident86.4Confident16 Ų1615.8 Ų15.87%0.079%0.092CC..Hα-helixtrans-88-20.8178.4-60.4-58.1000113.1A39 V255 V389 Q395 Y396 L399A39-F42 PolarHBondContact O-N 3.4Å; F42-V255 HydrophobicContact CD2-CG1 3.92Å; F42-V255 HydrophobicContact CE2-CG1 3.8Å; F42-V389 HydrophobicContact CE1-CG1 4.37Å; F42-V389 HydrophobicContact CZ-CG1 4.48Å; F42-Q395 HydrophobicContact CE1-CG 4.31Å; F42-Y396 HydrophobicContact CD1-CD1 4.24Å; F42-Y396 AromaticContact CD1-CE1 3.71Å; F42-Y396 HydrophobicContact CD1-CE1 3.71Å; F42-Y396 AromaticContact CE1-CD1 3.52Å; F42-Y396 HydrophobicContact CE1-CD1 3.52Å; F42-Y396 AromaticContact CE1-CE1 3.44Å; F42-Y396 HydrophobicContact CE1-CE1 3.44Å; F42-Y396 VanDerWaalsContact CE1-CE1 3.44Å; F42-Y396 HydrophobicContact CE2-CD1 4.13Å; F42-Y396 HydrophobicContact CE2-CE1 4.38Å; F42-Y396 HydrophobicContact CG-CE1 4.32Å; F42-Y396 AromaticContact CZ-CD1 3.45Å; F42-Y396 HydrophobicContact CZ-CD1 3.45Å; F42-Y396 VanDerWaalsContact CZ-CD1 3.45Å; F42-Y396 AromaticContact CZ-CE1 3.81Å; F42-Y396 HydrophobicContact CZ-CE1 3.81Å; F42-Y396 HydrophobicContact CZ-CG 4.46Å; F42-L399 HydrophobicContact CE2-CD2 3.45Å; F42-L399 VanDerWaalsContact CE2-CD2 3.45Å; F42-L399 HydrophobicContact CZ-CD2 3.6Å
43L86.2Confident86.2Confident0 Ų016.3 Ų16.30%010%0.095CC..Hα-helixtrans-71.8-36.7179.8-75.6158000111.8A39 S40 I138 R210 W265 Y268A39-L43 HydrophobicContact CB-CD1 3.72Å; A39-L43 WeakPolarHBondContact O-CD1 3.28Å; A39-L43 WeakPolarHBondContact O-CG 3.48Å; A39-L43 PolarHBondContact O-N 2.9Å; S40-L43 PolarHBondContact O-N 2.89Å; L43-I138 HydrophobicContact CB-CD1 3.71Å; L43-I138 HydrophobicContact CD2-CD1 4.23Å; L43-I138 WeakPolarHBondContact O-CB 3.44Å; L43-I138 WeakPolarHBondContact O-CD1 3.47Å; L43-I138 PolarHBondContact O-N 3.26Å; L43-R210 VanDerWaalsContact CD1-NH1 3.33Å; L43-W265 HydrophobicContact CD2-CB 3.77Å; L43-W265 HydrophobicContact CD2-CE3 4.3Å; L43-Y268 HydrophobicContact CD1-CD1 4.24Å; L43-Y268 HydrophobicContact CD1-CE1 3.78Å; L43-Y268 HydrophobicContact CD2-CD1 3.77Å; L43-Y268 HydrophobicContact CD2-CE1 4.11Å; L43-Y268 HydrophobicContact CG-CD1 3.96Å; L43-Y268 HydrophobicContact CG-CE1 3.76Å
44V85.1Confident85.7Confident21 Ų2120 Ų2013%0.12712%0.119CC..THydrogen-bonded Turntrans-100.816.8-178.2-167.70000111.2S40 T46 V139 A152 C155S40-V44 WeakPolarHBondContact O-CG2 3Å; S40-V44 PolarHBondContact O-N 3.21Å; S40-V44 VanDerWaalsContact O-N 3.09Å; V44-T46 PolarHBondContact O-N 2.74Å; V44-V139 HydrophobicContact CG1-CG2 4.24Å; V44-A152 HydrophobicContact CG1-CB 3.8Å; V44-A152 WeakPolarHBondContact CG1-O 3.44Å; V44-C155 HydrophobicContact CG2-CB 3.93Å
45E83.7Confident85.3Confident34 Ų3421.9 Ų21.916%0.15914%0.139CC..  trans-66.1131.3179.3-166.4177.2163.100110.9P47 V134 S137 Q395E45-P47 VanDerWaalsContact O-CD 3.27Å; E45-P47 WeakPolarHBondContact O-CD 3.5Å; E45-V134 HydrophobicContact CG-CG2 4.26Å; E45-V134 WeakPolarHBondContact OE1-CG2 3.49Å; E45-S137 WeakPolarHBondContact O-CB 3.45Å; E45-S137 PolarHBondContact O-OG 2.86Å; E45-Q395 PolarHBondContact OE1-NE2 3.18Å; E45-Q395 PolarHBondContact OE1-OE1 3.07Å; E45-Q395 PolarHBondContact OE2-OE1 3.1Å
46T83.6Confident85Confident79 Ų7927.8 Ų27.849%0.48517%0.17SC..  trans-99.4100.6178.842.70000109.7V44 V139V44-T46 PolarHBondContact O-N 2.74Å; T46-V139 HydrophobicContact CG2-CB 4.15Å; T46-V139 HydrophobicContact CG2-CG1 3.68Å; T46-V139 HydrophobicContact CG2-CG2 3.87Å
47P85.3Confident84.7Confident14 Ų1429.8 Ų29.89%0.09118%0.18CC..  trans-65165.8172.926.3-31.5000110.8E45 F49 Y129 D130 V134 T140E45-P47 VanDerWaalsContact O-CD 3.27Å; E45-P47 WeakPolarHBondContact O-CD 3.5Å; P47-F49 WeakPolarHBondContact O-CD1 3.4Å; P47-Y129 HydrophobicContact CG-CD1 4.01Å; P47-D130 WeakPolarHBondContact CB-O 3.27Å; P47-V134 HydrophobicContact CB-CB 4.49Å; P47-T140 HydrophobicContact CG-CG2 3.5Å; P47-T140 VanDerWaalsContact CG-CG2 3.5Å
48N83.7Confident84.5Confident46 Ų4632.4 Ų32.425%0.24620%0.197CC..  trans-60.4141.1170.9-76.1-39000110R98 D130N48-R98 PolarHBondContact OD1-NH2 3.24Å; N48-D130 HydrophobicContact CB-CB 4.07Å; N48-D130 WeakPolarHBondContact O-CB 3.4Å; N48-D130 PolarHBondContact O-N 3.21Å
49F86.4Confident84.3Confident20 Ų2035.3 Ų35.39%0.08821%0.212CC..EExtended strand (participates in β ladder)trans-150.3156.3-176.670.4-81000111.8P47 R98 F127 V128 Y129 V145P47-F49 WeakPolarHBondContact O-CD1 3.4Å; F49-R98 HydrophobicContact CE1-CB 4.47Å; F49-R98 HydrophobicContact CE2-CB 4.17Å; F49-R98 WeakPolarHBondContact CE2-O 3.37Å; F49-R98 HydrophobicContact CZ-CB 3.98Å; F49-F127 AromaticContact CD2-CD1 3.9Å; F49-F127 HydrophobicContact CD2-CD1 3.9Å; F49-F127 HydrophobicContact CD2-CG 4.42Å; F49-F127 HydrophobicContact CE2-CD1 4.13Å; F49-F127 HydrophobicContact CE2-CE1 4.34Å; F49-V128 VanDerWaalsContact CA-O 3.25Å; F49-V128 WeakPolarHBondContact CA-O 3.34Å; F49-Y129 HydrophobicContact CB-CD1 3.38Å; F49-Y129 HydrophobicContact CB-CE1 3.6Å; F49-Y129 HydrophobicContact CB-CG 4.21Å; F49-Y129 HydrophobicContact CD1-CE1 4.39Å; F49-Y129 HydrophobicContact CD2-CE1 4.37Å; F49-Y129 HydrophobicContact CG-CD1 4.17Å; F49-Y129 AromaticContact CG-CE1 3.9Å; F49-Y129 HydrophobicContact CG-CE1 3.9Å; F49-V145 HydrophobicContact CD1-CG1 4.18Å; F49-V145 HydrophobicContact CD2-CB 4.34Å; F49-V145 HydrophobicContact CD2-CG1 4.3Å; F49-V145 HydrophobicContact CD2-CG2 4.16Å; F49-V145 HydrophobicContact CE1-CB 4.19Å; F49-V145 HydrophobicContact CE1-CG1 3.8Å; F49-V145 HydrophobicContact CE2-CB 3.58Å; F49-V145 HydrophobicContact CE2-CG1 3.9Å; F49-V145 HydrophobicContact CE2-CG2 3.66Å; F49-V145 HydrophobicContact CG-CG1 4.44Å; F49-V145 HydrophobicContact CZ-CB 3.53Å; F49-V145 HydrophobicContact CZ-CG1 3.67Å; F49-V145 HydrophobicContact CZ-CG2 4.16Å
50V86.8Confident84.2Confident6 Ų635.3 Ų35.34%0.03621%0.212CC..EExtended strand (participates in β ladder)trans-137.8165.5172.8-62.40000110.3L70 F74 I77 L84 L96 F127 V128V50-L70 HydrophobicContact CG2-CD1 4.42Å; V50-L70 HydrophobicContact CG2-CD2 3.53Å; V50-F74 HydrophobicContact CG1-CE1 4.23Å; V50-F74 HydrophobicContact CG2-CE1 3.94Å; V50-F74 HydrophobicContact CG2-CZ 3.86Å; V50-I77 HydrophobicContact CG1-CD1 4.42Å; V50-L84 HydrophobicContact CG1-CD2 4.2Å; V50-L84 HydrophobicContact CG2-CD2 4.43Å; V50-L96 HydrophobicContact CB-CB 4.28Å; V50-L96 HydrophobicContact CG2-CD1 4.3Å; V50-F127 WeakPolarHBondContact O-CA 3.39Å; V50-V128 HydrophobicContact CG2-CB 4.37Å; V50-V128 PolarHBondContact N-O 3.35Å; V50-V128 PolarHBondContact O-N 3.19Å
51C86.4Confident84.2Confident1 Ų135.9 Ų35.91%0.00722%0.215CC..EExtended strand (participates in β ladder)trans-67.4143.7174.8-54.80000112.3L96 S97 C123C51-L96 HydrophobicContact CB-CD2 4.33Å; C51-S97 PolarHBondContact SG-O 3.42Å; C51-C123 HydrophobicContact CB-CB 3.71Å; C51-C123 WeakPolarHBondContact CB-SG 3.11Å; C51-C123 WeakPolarHBondContact SG-CB 3.37Å; C51-C123 CovalentContact SG-SG 1.99Å; C51-C123 PolarHBondContact SG-SG 3.39Å
52S83.8Confident84.1Confident54 Ų5436 Ų3638%0.37821%0.213SC..  trans-71.6148169.3-173.70000111.1N126S52-N126 VanDerWaalsContact CB-O 3.27Å; S52-N126 WeakPolarHBondContact CB-O 3.14Å; S52-N126 PolarHBondContact N-O 3.13Å
53V83.3Confident83.9Confident14 Ų1436.5 Ų36.59%0.08522%0.223CC..  trans-110.7149.9175.5-71.70000111G55 I57 V86 T88 W94 L96V53-G55 PolarHBondContact O-N 3.14Å; V53-I57 HydrophobicContact CG2-CD1 3.77Å; V53-I57 HydrophobicContact CG2-CG1 3.6Å; V53-V86 HydrophobicContact CG1-CG2 3.93Å; V53-V86 HydrophobicContact CG2-CG2 4.41Å; V53-T88 HydrophobicContact CB-CG2 4.45Å; V53-T88 HydrophobicContact CG2-CG2 4.33Å; V53-W94 HydrophobicContact CG1-CB 3.9Å; V53-W94 HydrophobicContact CG1-CD2 4.19Å; V53-W94 HydrophobicContact CG1-CG 3.84Å; V53-L96 HydrophobicContact CG1-CD1 4Å; V53-L96 HydrophobicContact CG1-CD2 3.5Å; V53-L96 VanDerWaalsContact CG1-CD2 3.5Å; V53-L96 HydrophobicContact CG1-CG 4.22Å
54P78.5Confident83.7Confident77 Ų7744.6 Ų44.650%0.527%0.266SS..SBendtrans-69121.7170.428.8-31.7000109.8T88 W94P54-T88 WeakPolarHBondContact O-CG2 3.41Å; P54-W94 HydrophobicContact CG-CH2 4.49Å; P54-W94 HydrophobicContact CG-CZ2 3.79Å
55G78.5Confident83.5Confident40 Ų4046.9 Ų46.941%0.41228%0.277SS..SBendtrans97.7171.2176.800000114.9V53V53-G55 PolarHBondContact O-N 3.14Å
56N83.5Confident83.5Confident128 Ų12850.4 Ų50.468%0.68430%0.301SS*.  trans-78.5135-178.6-78.1-7.8000110.7T88 S89N56-T88 CarbonylContact O-C 3.24Å; N56-T88 WeakPolarHBondContact O-CA 3.47Å; N56-S89 PolarHBondContact O-N 2.82Å
57I84.9Confident83.4Confident43 Ų4347.3 Ų47.322%0.22129%0.285CS..EExtended strand (participates in β ladder)trans-78.7135.2176.2-63.1164.3000109V53 V60 L70 V86V53-I57 HydrophobicContact CG2-CD1 3.77Å; V53-I57 HydrophobicContact CG2-CG1 3.6Å; I57-V60 HydrophobicContact CG2-CG2 3.52Å; I57-L70 HydrophobicContact CD1-CD1 3.17Å; I57-L70 HydrophobicContact CD1-CG 3.9Å; I57-V86 HydrophobicContact CG2-CB 4.28Å
58T84Confident83.1Confident57 Ų5751 Ų5135%0.3531%0.311SS..EExtended strand (participates in β ladder)trans-110.4-45179.749.90000111.7R87T58-R87 PolarHBondContact N-O 3.33Å; T58-R87 PolarHBondContact OG1-O 3.1Å
59D83.4Confident82.9Confident62 Ų6250.9 Ų50.933%0.33231%0.314SS..EExtended strand (participates in β ladder)trans-132.3142.1179.1-57-63.4000110.6V86 R87 F110D59-V86 CarbonylContact O-C 3.56Å; D59-V86 WeakPolarHBondContact O-CA 3.43Å; D59-R87 HydrophobicContact CB-CB 4.19Å; D59-R87 PolarHBondContact O-N 3.34Å; D59-R87 IonicContact OD2-CZ 3.14Å; D59-R87 IonicContact OD2-NH1 2.9Å; D59-R87 PolarHBondContact OD2-NH1 2.97Å; D59-F110 HydrophobicContact CB-CE1 3.72Å; D59-F110 HydrophobicContact CB-CZ 3.92Å
60V86.1Confident82.5Confident1 Ų150.7 Ų50.71%0.00631%0.314CS..EExtended strand (participates in β ladder)trans-127.6137.5176.7-176.80000108.9I57 T66 G67 V73 L84 V85 V86I57-V60 HydrophobicContact CG2-CG2 3.52Å; V60-T66 WeakPolarHBondContact O-CA 3.46Å; V60-G67 PolarHBondContact N-O 3.25Å; V60-G67 PolarHBondContact O-N 2.82Å; V60-V73 HydrophobicContact CB-CG2 4.25Å; V60-V73 HydrophobicContact CG1-CB 4.2Å; V60-V73 HydrophobicContact CG1-CG1 4.47Å; V60-V73 HydrophobicContact CG1-CG2 3.75Å; V60-L84 HydrophobicContact CG1-CD1 3.55Å; V60-L84 HydrophobicContact CG1-CD2 4.31Å; V60-L84 HydrophobicContact CG1-CG 4.07Å; V60-V85 CarbonylContact C-O 3.58Å; V60-V85 WeakPolarHBondContact CA-O 3.31Å; V60-V86 HydrophobicContact CG1-CG1 4.16Å; V60-V86 HydrophobicContact CG2-CG1 4.07Å
61L84.1Confident82Confident19 Ų1957.4 Ų57.410%0.09935%0.345CS..EExtended strand (participates in β ladder)trans-136.4124.9-178.6-158.9148.3000110.8G63 I65 T66 V85 F110 Y112L61-G63 VanDerWaalsContact CD2-O 3.31Å; L61-G63 WeakPolarHBondContact CD2-O 3.41Å; L61-I65 WeakPolarHBondContact CA-O 3.29Å; L61-T66 HydrophobicContact CD1-CG2 3.92Å; L61-T66 HydrophobicContact CG-CG2 4.11Å; L61-V85 HydrophobicContact CB-CB 4.35Å; L61-V85 PolarHBondContact N-O 3.46Å; L61-V85 PolarHBondContact O-N 3.16Å; L61-F110 HydrophobicContact CB-CE1 3.83Å; L61-F110 HydrophobicContact CB-CZ 3.89Å; L61-F110 HydrophobicContact CD1-CD1 4.05Å; L61-F110 HydrophobicContact CD1-CE1 3.91Å; L61-Y112 VanDerWaalsContact CD2-CB 3.47Å; L61-Y112 HydrophobicContact CD2-CD2 3.59Å; L61-Y112 HydrophobicContact CD2-CG 3.96Å
62Y83.7Confident81.3Confident23 Ų2360.4 Ų60.49%0.0937%0.366CS..EExtended strand (participates in β ladder)trans-136.1102.4178.4-172.1-107.5000109.9N64 I65 V73 I77 K78 G81 G82 L84Y62-N64 PolarHBondContact O-N 3.5Å; Y62-N64 VanDerWaalsContact O-N 3.14Å; Y62-I65 PolarHBondContact N-O 3.43Å; Y62-I65 PolarHBondContact O-N 3.21Å; Y62-V73 HydrophobicContact CD1-CG1 4.38Å; Y62-V73 HydrophobicContact CG-CG1 4.06Å; Y62-I77 HydrophobicContact CE2-CG1 4.41Å; Y62-K78 PolarHBondContact OH-N 2.99Å; Y62-K78 VanDerWaalsContact OH-N 3.07Å; Y62-G81 WeakPolarHBondContact OH-CA 3.41Å; Y62-G82 WeakPolarHBondContact CE2-O 3.32Å; Y62-L84 HydrophobicContact CD2-CB 4.43Å; Y62-L84 HydrophobicContact CD2-CD1 3.9Å; Y62-L84 HydrophobicContact CG-CD1 4.18Å
63G81.8Confident81Confident28 Ų2857.9 Ų57.929%0.28935%0.348SS..THydrogen-bonded Turntrans59.7-114.3-169.700000110.7L61L61-G63 VanDerWaalsContact CD2-O 3.31Å; L61-G63 WeakPolarHBondContact CD2-O 3.41Å
64N80.7Confident80.7Confident169 Ų16957.3 Ų57.390%0.90434%0.344SS*.THydrogen-bonded Turntrans-97.5-0.6177.3-70.1-5.5000113.6Y62Y62-N64 PolarHBondContact O-N 3.5Å; Y62-N64 VanDerWaalsContact O-N 3.14Å
65I80.9Confident80.5Confident69 Ų6957.6 Ų57.635%0.35435%0.346SS..EExtended strand (participates in β ladder)trans-92.1129.7-176.8-59.2171000108.5L61 Y62 V76L61-I65 WeakPolarHBondContact CA-O 3.29Å; Y62-I65 PolarHBondContact N-O 3.43Å; Y62-I65 PolarHBondContact O-N 3.21Å; I65-V76 HydrophobicContact CD1-CB 4.16Å; I65-V76 HydrophobicContact CD1-CG1 3.52Å; I65-V76 HydrophobicContact CD1-CG2 4.24Å
66T83.7Confident80.2Confident108 Ų10858.9 Ų58.966%0.66335%0.346SS*.EExtended strand (participates in β ladder)trans-114.2140.9173.5500000109.3V60 L61V60-T66 WeakPolarHBondContact O-CA 3.46Å; L61-T66 HydrophobicContact CD1-CG2 3.92Å; L61-T66 HydrophobicContact CG-CG2 4.11Å
67G81.7Confident79.7Confident15 Ų1553.9 Ų53.916%0.15532%0.319CS..EExtended strand (participates in β ladder)trans-147.9158.3178.300000110.8V60V60-G67 PolarHBondContact N-O 3.25Å; V60-G67 PolarHBondContact O-N 2.82Å
68S78.9Confident78.8Confident90 Ų9059.1 Ų59.163%0.62934%0.34SS*.SBendtrans-89.4-15.9177.5520000113.2
69S79.1Confident77.6Confident45 Ų4561 Ų6132%0.31535%0.354SS..SBendtrans-140.7155179.472.70000111.9E71 S72S69-E71 PolarHBondContact O-N 2.94Å; S69-S72 PolarHBondContact O-N 3.26Å; S69-S72 PolarHBondContact O-OG 3.05Å
70L78.3Confident76.3Confident16 Ų1663 Ų638%0.08438%0.379CS..G310 helixtrans-56-38.4175.1-95.3157.6000112.7V50 I57 S72 V73 F74 L84 V128V50-L70 HydrophobicContact CG2-CD1 4.42Å; V50-L70 HydrophobicContact CG2-CD2 3.53Å; I57-L70 HydrophobicContact CD1-CD1 3.17Å; I57-L70 HydrophobicContact CD1-CG 3.9Å; L70-S72 PolarHBondContact O-N 2.5Å; L70-V73 PolarHBondContact O-N 2.9Å; L70-F74 HydrophobicContact CB-CD2 4.24Å; L70-F74 HydrophobicContact CB-CE2 3.71Å; L70-F74 HydrophobicContact CB-CZ 4.27Å; L70-F74 HydrophobicContact CD2-CE1 4.31Å; L70-F74 HydrophobicContact CD2-CE2 4.08Å; L70-F74 HydrophobicContact CD2-CZ 3.81Å; L70-F74 HydrophobicContact CG-CE2 4.45Å; L70-F74 WeakPolarHBondContact O-CD2 3.44Å; L70-F74 PolarHBondContact O-N 3.23Å; L70-L84 HydrophobicContact CD2-CD2 3.32Å; L70-V128 HydrophobicContact CD1-CB 4.41Å; L70-V128 HydrophobicContact CD1-CG1 4.24Å; L70-V128 HydrophobicContact CD1-CG2 4.36Å
71E76.1Confident75.1Confident147 Ų14764.7 Ų64.769%0.68740%0.396SS*.G310 helixtrans-57.3-35.9179.8-65.9178.917900113.1S69 V73S69-E71 PolarHBondContact O-N 2.94Å; E71-V73 PolarHBondContact O-N 3.47Å
72S72.2Confident74.5Confident63 Ų6365.6 Ų65.644%0.44141%0.41SS..G310 helixtrans-70.3-20.3-179.967.60000113.7S69 L70S69-S72 PolarHBondContact O-N 3.26Å; S69-S72 PolarHBondContact O-OG 3.05Å; L70-S72 PolarHBondContact O-N 2.5Å
73V77.2Confident74.3Confident1 Ų166.9 Ų66.91%0.00642%0.421CS..THydrogen-bonded Turntrans-108.9-26.2-172.7-1750000112.2V60 Y62 L70 E71 P75 V76 I77 L84V60-V73 HydrophobicContact CB-CG2 4.25Å; V60-V73 HydrophobicContact CG1-CB 4.2Å; V60-V73 HydrophobicContact CG1-CG1 4.47Å; V60-V73 HydrophobicContact CG1-CG2 3.75Å; Y62-V73 HydrophobicContact CD1-CG1 4.38Å; Y62-V73 HydrophobicContact CG-CG1 4.06Å; L70-V73 PolarHBondContact O-N 2.9Å; E71-V73 PolarHBondContact O-N 3.47Å; V73-P75 VanDerWaalsContact C-CD 3.42Å; V73-V76 PolarHBondContact O-N 3.15Å; V73-I77 HydrophobicContact CG1-CG1 4.28Å; V73-I77 PolarHBondContact O-N 3.31Å; V73-L84 HydrophobicContact CG1-CD1 3.78Å
74F77.9Confident74.5Confident3 Ų365.7 Ų65.71%0.01341%0.408CS..G310 helixtrans-47-44.9-179.5-87.2-55.7000115.5V50 L70 V76 I77 V128 D130V50-F74 HydrophobicContact CG1-CE1 4.23Å; V50-F74 HydrophobicContact CG2-CE1 3.94Å; V50-F74 HydrophobicContact CG2-CZ 3.86Å; L70-F74 HydrophobicContact CB-CD2 4.24Å; L70-F74 HydrophobicContact CB-CE2 3.71Å; L70-F74 HydrophobicContact CB-CZ 4.27Å; L70-F74 HydrophobicContact CD2-CE1 4.31Å; L70-F74 HydrophobicContact CD2-CE2 4.08Å; L70-F74 HydrophobicContact CD2-CZ 3.81Å; L70-F74 HydrophobicContact CG-CE2 4.45Å; L70-F74 WeakPolarHBondContact O-CD2 3.44Å; L70-F74 PolarHBondContact O-N 3.23Å; F74-V76 PolarHBondContact O-N 3.41Å; F74-I77 HydrophobicContact CD1-CD1 3.82Å; F74-I77 HydrophobicContact CE1-CD1 4.35Å; F74-I77 PolarHBondContact O-N 3.36Å; F74-I77 VanDerWaalsContact O-N 3.15Å; F74-V128 HydrophobicContact CE2-CG1 3.82Å; F74-V128 HydrophobicContact CZ-CB 4.15Å; F74-V128 HydrophobicContact CZ-CG1 3.78Å; F74-V128 WeakPolarHBondContact CZ-O 3.45Å; F74-D130 HydrophobicContact CB-CB 3.89Å; F74-D130 HydrophobicContact CD1-CB 3.99Å; F74-D130 HydrophobicContact CD2-CB 4.36Å; F74-D130 HydrophobicContact CG-CB 3.87Å
75P73.1Confident74.7Confident83 Ų8357.7 Ų57.754%0.53937%0.365SS..G310 helixtrans-62.4-19.8-179.4-24.935.6000114.3V73 T132V73-P75 VanDerWaalsContact C-CD 3.42Å; P75-T132 HydrophobicContact CG-CG2 4.21Å
76V73.4Confident75.1Confident67 Ų6754.4 Ų54.441%0.40635%0.348SS..G310 helixtrans-99.6-11.3-175.8-166.20000112I65 V73 F74 K78I65-V76 HydrophobicContact CD1-CB 4.16Å; I65-V76 HydrophobicContact CD1-CG1 3.52Å; I65-V76 HydrophobicContact CD1-CG2 4.24Å; V73-V76 PolarHBondContact O-N 3.15Å; F74-V76 PolarHBondContact O-N 3.41Å; V76-K78 PolarHBondContact O-N 3.36Å; V76-K78 VanDerWaalsContact O-N 3.15Å
77I72.4Confident75.3Confident22 Ų2252.9 Ų52.911%0.11333%0.331CS..  trans-68.9113.6-178.4-62.9178.9000109.6V50 Y62 V73 F74 L84V50-I77 HydrophobicContact CG1-CD1 4.42Å; Y62-I77 HydrophobicContact CE2-CG1 4.41Å; V73-I77 HydrophobicContact CG1-CG1 4.28Å; V73-I77 PolarHBondContact O-N 3.31Å; F74-I77 HydrophobicContact CD1-CD1 3.82Å; F74-I77 HydrophobicContact CE1-CD1 4.35Å; F74-I77 PolarHBondContact O-N 3.36Å; F74-I77 VanDerWaalsContact O-N 3.15Å; I77-L84 HydrophobicContact CD1-CD1 4.34Å; I77-L84 HydrophobicContact CD1-CD2 4.18Å
78K66.4Low75.6Confident153 Ų15352.2 Ų52.267%0.66532%0.323SS*.  trans-88.7142.4171.5-67.5-174.2-179-1800110.4Y62 V76 A80 G81Y62-K78 PolarHBondContact OH-N 2.99Å; Y62-K78 VanDerWaalsContact OH-N 3.07Å; V76-K78 PolarHBondContact O-N 3.36Å; V76-K78 VanDerWaalsContact O-N 3.15Å; K78-A80 PolarHBondContact O-N 3.34Å; K78-A80 VanDerWaalsContact O-N 3.11Å; K78-G81 PolarHBondContact O-N 3.46Å
79P58.2Low75.8Confident98 Ų9851.6 Ų51.664%0.63632%0.319SS*.THydrogen-bonded Turntrans-55.6-29.3177.9-20.926.4000115R98P79-R98 VanDerWaalsContact CA-NH2 3.27Å
80A56.1Low75.9Confident104 Ų10456.6 Ų56.686%0.8634%0.338SS*.THydrogen-bonded Turntrans-105.112.3178.600000113.3K78K78-A80 PolarHBondContact O-N 3.34Å; K78-A80 VanDerWaalsContact O-N 3.11Å
81G60.4Low76.1Confident36 Ų3658 Ų5837%0.37136%0.356SS..SBendtrans-77.9163.8174.200000111.9Y62 K78Y62-G81 WeakPolarHBondContact OH-CA 3.41Å; K78-G81 PolarHBondContact O-N 3.46Å
82G72.6Confident76.6Confident38 Ų3854.1 Ų54.139%0.39234%0.337SS..  trans-65.7-178.9177.200000113.6Y62 Y112Y62-G82 WeakPolarHBondContact CE2-O 3.32Å; G82-Y112 WeakPolarHBondContact CA-OH 3.5Å
83P80.1Confident77.3Confident49 Ų4951.5 Ų51.532%0.31832%0.318SS..PPolyproline II helixtrans-67.8144.1-175.128.7-34.1000111.9E95 Y112P83-E95 HydrophobicContact CB-CB 4.05Å; P83-E95 HydrophobicContact CB-CG 4.41Å; P83-Y112 WeakPolarHBondContact O-CE2 3.32Å
84L84.2Confident77.8Confident4 Ų452.7 Ų52.72%0.02132%0.323CS..EExtended strand (participates in β ladder)trans-80120.5172.2-179.373.8000109.2V50 V60 Y62 L70 V73 I77 V86 E95 L96V50-L84 HydrophobicContact CG1-CD2 4.2Å; V50-L84 HydrophobicContact CG2-CD2 4.43Å; V60-L84 HydrophobicContact CG1-CD1 3.55Å; V60-L84 HydrophobicContact CG1-CD2 4.31Å; V60-L84 HydrophobicContact CG1-CG 4.07Å; Y62-L84 HydrophobicContact CD2-CB 4.43Å; Y62-L84 HydrophobicContact CD2-CD1 3.9Å; Y62-L84 HydrophobicContact CG-CD1 4.18Å; L70-L84 HydrophobicContact CD2-CD2 3.32Å; V73-L84 HydrophobicContact CG1-CD1 3.78Å; I77-L84 HydrophobicContact CD1-CD1 4.34Å; I77-L84 HydrophobicContact CD1-CD2 4.18Å; L84-V86 HydrophobicContact CD2-CG1 4.24Å; L84-V86 HydrophobicContact CG-CG1 4.25Å; L84-E95 CarbonylContact O-C 3.11Å; L84-E95 WeakPolarHBondContact O-CA 3.36Å; L84-L96 HydrophobicContact CB-CB 4.29Å; L84-L96 HydrophobicContact CD2-CD1 4.45Å; L84-L96 PolarHBondContact N-O 3.01Å; L84-L96 PolarHBondContact O-N 2.71Å
85V86.4Confident78.3Confident0 Ų053.3 Ų53.30%033%0.326CS..EExtended strand (participates in β ladder)trans-95.8129.3-179-168.70000109.3V60 L61 W94 E95 F110 Y112V60-V85 CarbonylContact C-O 3.58Å; V60-V85 WeakPolarHBondContact CA-O 3.31Å; L61-V85 HydrophobicContact CB-CB 4.35Å; L61-V85 PolarHBondContact N-O 3.46Å; L61-V85 PolarHBondContact O-N 3.16Å; V85-W94 CarbonylContact C-O 3.53Å; V85-W94 WeakPolarHBondContact CA-O 3.41Å; V85-E95 HydrophobicContact CG2-CG 4.26Å; V85-F110 HydrophobicContact CG1-CD2 4.31Å; V85-F110 HydrophobicContact CG1-CE2 3.76Å; V85-F110 HydrophobicContact CG1-CZ 4.45Å; V85-Y112 HydrophobicContact CG2-CD2 3.96Å; V85-Y112 HydrophobicContact CG2-CE2 4.37Å
86V88.6Confident78.9Confident0 Ų049.5 Ų49.50%030%0.301CS..EExtended strand (participates in β ladder)trans-128.9147.8178.2-56.20000111.1V53 I57 D59 V60 L84 Q93 W94 L96V53-V86 HydrophobicContact CG1-CG2 3.93Å; V53-V86 HydrophobicContact CG2-CG2 4.41Å; I57-V86 HydrophobicContact CG2-CB 4.28Å; D59-V86 CarbonylContact O-C 3.56Å; D59-V86 WeakPolarHBondContact O-CA 3.43Å; V60-V86 HydrophobicContact CG1-CG1 4.16Å; V60-V86 HydrophobicContact CG2-CG1 4.07Å; L84-V86 HydrophobicContact CD2-CG1 4.24Å; L84-V86 HydrophobicContact CG-CG1 4.25Å; V86-Q93 CarbonylContact O-C 3.52Å; V86-Q93 WeakPolarHBondContact O-CA 3.38Å; V86-W94 HydrophobicContact CG2-CB 3.72Å; V86-W94 PolarHBondContact N-O 3.14Å; V86-W94 PolarHBondContact O-N 3.16Å; V86-L96 HydrophobicContact CB-CD1 4.48Å; V86-L96 HydrophobicContact CG1-CD1 3.82Å; V86-L96 HydrophobicContact CG2-CD1 3.76Å; V86-L96 HydrophobicContact CG2-CG 4.08Å
87R87.8Confident79.4Confident77 Ų7748.7 Ų48.729%0.29130%0.298SS..EExtended strand (participates in β ladder)trans-112.5129.4172.4-175.4-172.4-75.7157.9-20110.1T58 D59 E92 F110T58-R87 PolarHBondContact N-O 3.33Å; T58-R87 PolarHBondContact OG1-O 3.1Å; D59-R87 HydrophobicContact CB-CB 4.19Å; D59-R87 PolarHBondContact O-N 3.34Å; D59-R87 IonicContact OD2-CZ 3.14Å; D59-R87 IonicContact OD2-NH1 2.9Å; D59-R87 PolarHBondContact OD2-NH1 2.97Å; R87-E92 WeakPolarHBondContact CA-O 3.49Å; R87-F110 HydrophobicContact CB-CD2 4.23Å; R87-F110 HydrophobicContact CB-CE2 3.75Å; R87-F110 HydrophobicContact CB-CZ 4.11Å
88T87.5Confident79.8Confident1 Ų151.7 Ų51.71%0.00631%0.308CS..EExtended strand (participates in β ladder)trans-87.3162.1175.867.70000111.3V53 P54 N56 E90 G91 E92V53-T88 HydrophobicContact CB-CG2 4.45Å; V53-T88 HydrophobicContact CG2-CG2 4.33Å; P54-T88 WeakPolarHBondContact O-CG2 3.41Å; N56-T88 CarbonylContact O-C 3.24Å; N56-T88 WeakPolarHBondContact O-CA 3.47Å; T88-E90 PolarHBondContact O-N 3.44Å; T88-E90 VanDerWaalsContact O-N 3.15Å; T88-G91 PolarHBondContact O-N 3.14Å; T88-E92 PolarHBondContact N-O 2.96Å; T88-E92 WeakPolarHBondContact OG1-CB 3.36Å; T88-E92 PolarHBondContact OG1-N 3.04Å
89S83.6Confident80.7Confident77 Ų7746.5 Ų46.554%0.53829%0.291SS..THydrogen-bonded Turntrans-58.8-22.2174.753.10000113.9N56 G91N56-S89 PolarHBondContact O-N 2.82Å; S89-G91 VanDerWaalsContact C-N 3.26Å
90E81.8Confident82.1Confident150 Ų15048.3 Ų48.370%0.70129%0.285SS*.THydrogen-bonded Turntrans-83.1-2.6176.3-61.1-175.3-179.800112.6T88T88-E90 PolarHBondContact O-N 3.44Å; T88-E90 VanDerWaalsContact O-N 3.15Å
91G81.6Confident83.6Confident45 Ų4543.8 Ų43.846%0.46425%0.247SC..SBendtrans88.21.5179.100000114.5T88 S89T88-G91 PolarHBondContact O-N 3.14Å; S89-G91 VanDerWaalsContact C-N 3.26Å
92E86.8Confident84.9Confident65 Ų6542.2 Ų42.230%0.30423%0.231SC..  trans-72.2144.5176.2-57-171143.400111.4R87 T88 W94 L103R87-E92 WeakPolarHBondContact CA-O 3.49Å; T88-E92 PolarHBondContact N-O 2.96Å; T88-E92 WeakPolarHBondContact OG1-CB 3.36Å; T88-E92 PolarHBondContact OG1-N 3.04Å; E92-W94 PolarHBondContact OE2-NE1 2.99Å; E92-L103 HydrophobicContact CB-CD1 4.08Å
93Q88.1Confident85.7Confident8 Ų842.2 Ų42.24%0.03722%0.221CC..EExtended strand (participates in β ladder)trans-113.8124176.6-60.3-174.619.200110.7V86 R104 P107 D109 F110V86-Q93 CarbonylContact O-C 3.52Å; V86-Q93 WeakPolarHBondContact O-CA 3.38Å; Q93-R104 HydrophobicContact CB-CB 4.2Å; Q93-R104 HydrophobicContact CB-CG 4.34Å; Q93-R104 WeakPolarHBondContact O-CB 3.37Å; Q93-R104 PolarHBondContact O-N 2.77Å; Q93-R104 VanDerWaalsContact OE1-NH1 3.1Å; Q93-P107 HydrophobicContact CB-CB 4.49Å; Q93-P107 HydrophobicContact CB-CG 4.19Å; Q93-P107 VanDerWaalsContact CD-CB 3.47Å; Q93-P107 HydrophobicContact CG-CB 4.18Å; Q93-P107 HydrophobicContact CG-CG 3.85Å; Q93-D109 PolarHBondContact NE2-O 2.86Å; Q93-D109 PolarHBondContact OE1-O 2.87Å; Q93-F110 HydrophobicContact CG-CD2 4.06Å
94W87.3Confident86.1Confident26 Ų2640.2 Ų40.210%0.09821%0.207CC..EExtended strand (participates in β ladder)trans-117.6140.3-177.3-67.282000111V53 P54 V85 V86 E92 L96 A102 L103V53-W94 HydrophobicContact CG1-CB 3.9Å; V53-W94 HydrophobicContact CG1-CD2 4.19Å; V53-W94 HydrophobicContact CG1-CG 3.84Å; P54-W94 HydrophobicContact CG-CH2 4.49Å; P54-W94 HydrophobicContact CG-CZ2 3.79Å; V85-W94 CarbonylContact C-O 3.53Å; V85-W94 WeakPolarHBondContact CA-O 3.41Å; V86-W94 HydrophobicContact CG2-CB 3.72Å; V86-W94 PolarHBondContact N-O 3.14Å; V86-W94 PolarHBondContact O-N 3.16Å; E92-W94 PolarHBondContact OE2-NE1 2.99Å; W94-L96 HydrophobicContact CB-CD2 4.25Å; W94-A102 CarbonylContact C-O 3.6Å; W94-A102 WeakPolarHBondContact CA-O 3.32Å; W94-L103 HydrophobicContact CD2-CB 4.3Å; W94-L103 HydrophobicContact CD2-CD1 4.06Å; W94-L103 HydrophobicContact CE3-CB 3.99Å; W94-L103 HydrophobicContact CG-CD1 4.44Å; W94-L103 HydrophobicContact CH2-CB 3.92Å; W94-L103 HydrophobicContact CH2-CD1 4.45Å; W94-L103 HydrophobicContact CH2-CD2 4.3Å; W94-L103 HydrophobicContact CH2-CG 4.45Å; W94-L103 HydrophobicContact CZ2-CB 4.22Å; W94-L103 HydrophobicContact CZ2-CD1 3.88Å; W94-L103 HydrophobicContact CZ2-CD2 4.19Å; W94-L103 HydrophobicContact CZ2-CG 4.32Å; W94-L103 HydrophobicContact CZ3-CB 3.8Å
95E87.3Confident86.2Confident17 Ų1743.5 Ų43.58%0.07922%0.224CC..EExtended strand (participates in β ladder)trans-103.2115168.2-72.6178.5-163.900108.8P83 L84 V85 S101 A102 R104 K118P83-E95 HydrophobicContact CB-CB 4.05Å; P83-E95 HydrophobicContact CB-CG 4.41Å; L84-E95 CarbonylContact O-C 3.11Å; L84-E95 WeakPolarHBondContact O-CA 3.36Å; V85-E95 HydrophobicContact CG2-CG 4.26Å; E95-S101 CarbonylContact O-C 3.47Å; E95-S101 WeakPolarHBondContact O-CA 3.3Å; E95-A102 HydrophobicContact CB-CB 4.21Å; E95-A102 PolarHBondContact N-O 3.38Å; E95-A102 PolarHBondContact O-N 3.33Å; E95-R104 IonicContact OE1-CZ 3.2Å; E95-R104 VanDerWaalsContact OE1-CZ 3.27Å; E95-R104 IonicContact OE1-NE 2.96Å; E95-R104 PolarHBondContact OE1-NE 3.31Å; E95-R104 IonicContact OE1-NH2 3.51Å; E95-R104 PolarHBondContact OE1-NH2 3.39Å; E95-K118 WeakPolarHBondContact OE1-CE 3.49Å; E95-K118 IonicContact OE1-NZ 2.73Å; E95-K118 PolarHBondContact OE1-NZ 2.92Å; E95-K118 WeakPolarHBondContact OE2-CE 3.32Å; E95-K118 IonicContact OE2-NZ 2.99Å; E95-K118 PolarHBondContact OE2-NZ 3.42Å
96L86.2Confident85.9Confident3 Ų350.3 Ų50.32%0.01626%0.261CS..EExtended strand (participates in β ladder)trans-103.1136.4-176.3-53.9177.7000110.9V50 C51 V53 L84 V86 W94V50-L96 HydrophobicContact CB-CB 4.28Å; V50-L96 HydrophobicContact CG2-CD1 4.3Å; C51-L96 HydrophobicContact CB-CD2 4.33Å; V53-L96 HydrophobicContact CG1-CD1 4Å; V53-L96 HydrophobicContact CG1-CD2 3.5Å; V53-L96 VanDerWaalsContact CG1-CD2 3.5Å; V53-L96 HydrophobicContact CG1-CG 4.22Å; L84-L96 HydrophobicContact CB-CB 4.29Å; L84-L96 HydrophobicContact CD2-CD1 4.45Å; L84-L96 PolarHBondContact N-O 3.01Å; L84-L96 PolarHBondContact O-N 2.71Å; V86-L96 HydrophobicContact CB-CD1 4.48Å; V86-L96 HydrophobicContact CG1-CD1 3.82Å; V86-L96 HydrophobicContact CG2-CD1 3.76Å; V86-L96 HydrophobicContact CG2-CG 4.08Å; W94-L96 HydrophobicContact CB-CD2 4.25Å
97S84.1Confident85.6Confident50 Ų5052.2 Ų52.235%0.3527%0.273SS..  trans-133.3176.5170.270.20000109.3C51 C99 R100C51-S97 PolarHBondContact SG-O 3.42Å; S97-C99 PolarHBondContact O-N 3.31Å; S97-C99 VanDerWaalsContact O-N 3.16Å; S97-R100 PolarHBondContact N-O 3.21Å; S97-R100 WeakPolarHBondContact OG-CA 3.36Å; S97-R100 WeakPolarHBondContact OG-CB 3.47Å; S97-R100 PolarHBondContact OG-N 3.41Å; S97-R100 VanDerWaalsContact OG-N 3.15Å; S97-R100 PolarHBondContact OG-O 3.49Å
98R81.5Confident85Confident84 Ų8457.3 Ų57.332%0.31730%0.3SS..SBendtrans-59.3-29.3-174.4-68.7-179.2-172-143.9-15113.7N48 F49 P79 C146N48-R98 PolarHBondContact OD1-NH2 3.24Å; F49-R98 HydrophobicContact CE1-CB 4.47Å; F49-R98 HydrophobicContact CE2-CB 4.17Å; F49-R98 WeakPolarHBondContact CE2-O 3.37Å; F49-R98 HydrophobicContact CZ-CB 3.98Å; P79-R98 VanDerWaalsContact CA-NH2 3.27Å; R98-C146 PolarHBondContact O-SG 3.45Å
99C85.9Confident84.8Confident45 Ų4562.7 Ų62.730%0.30433%0.329SS..SBendtrans-137.40.1-177.7-61.40000114.5S97 C123 C146S97-C99 PolarHBondContact O-N 3.31Å; S97-C99 VanDerWaalsContact O-N 3.16Å; C99-C123 VanDerWaalsContact C-SG 3.58Å; C99-C123 PolarHBondContact O-N 3.4Å; C99-C146 WeakPolarHBondContact CA-SG 3.27Å; C99-C146 HydrophobicContact CB-CB 3.85Å; C99-C146 WeakPolarHBondContact CB-SG 3.36Å; C99-C146 VanDerWaalsContact SG-CA 3.55Å; C99-C146 WeakPolarHBondContact SG-CB 3.34Å; C99-C146 CovalentContact SG-SG 2.03Å; C99-C146 PolarHBondContact SG-SG 3.24Å
100R86.1Confident84.7Confident135 Ų13560.8 Ų60.851%0.50931%0.311SS..EExtended strand (participates in β ladder)trans-134.6144.6-179.4-61.4-176.9173.6162.32.2110.4S97 D122 C123S97-R100 PolarHBondContact N-O 3.21Å; S97-R100 WeakPolarHBondContact OG-CA 3.36Å; S97-R100 WeakPolarHBondContact OG-CB 3.47Å; S97-R100 PolarHBondContact OG-N 3.41Å; S97-R100 VanDerWaalsContact OG-N 3.15Å; S97-R100 PolarHBondContact OG-O 3.49Å; R100-D122 WeakPolarHBondContact CG-OD1 3.29Å; R100-D122 IonicContact NE-OD1 2.83Å; R100-C123 VanDerWaalsContact C-SG 3.54Å
101S87.6Confident84.8Confident9 Ų956.7 Ų56.76%0.06330%0.296CS..EExtended strand (participates in β ladder)trans-120142.9169.261.60000108.4E95 K121E95-S101 CarbonylContact O-C 3.47Å; E95-S101 WeakPolarHBondContact O-CA 3.3Å; S101-K121 PolarHBondContact N-O 2.73Å; S101-K121 PolarHBondContact O-N 2.98Å; S101-K121 VanDerWaalsContact O-O 3.12Å; S101-K121 PolarHBondContact OG-O 3.48Å
102A87.8Confident84.8Confident4 Ų457.1 Ų57.13%0.03328%0.284CS..EExtended strand (participates in β ladder)trans-128.4121.3175.200000110.3W94 E95 K118 T119 M120W94-A102 CarbonylContact C-O 3.6Å; W94-A102 WeakPolarHBondContact CA-O 3.32Å; E95-A102 HydrophobicContact CB-CB 4.21Å; E95-A102 PolarHBondContact N-O 3.38Å; E95-A102 PolarHBondContact O-N 3.33Å; A102-K118 HydrophobicContact CB-CB 4.35Å; A102-T119 CarbonylContact C-O 3.6Å; A102-T119 VanDerWaalsContact CA-O 3.31Å; A102-T119 WeakPolarHBondContact CA-O 3.33Å; A102-M120 HydrophobicContact CB-CG 4.02Å; A102-M120 HydrophobicContact CB-SD 3.95Å
103L88.8Confident84.5Confident38 Ų3858.9 Ų58.920%0.19930%0.296CS..EExtended strand (participates in β ladder)trans-83.1128.1174.9176.660.4000109.5E92 W94 K118 T119E92-L103 HydrophobicContact CB-CD1 4.08Å; W94-L103 HydrophobicContact CD2-CB 4.3Å; W94-L103 HydrophobicContact CD2-CD1 4.06Å; W94-L103 HydrophobicContact CE3-CB 3.99Å; W94-L103 HydrophobicContact CG-CD1 4.44Å; W94-L103 HydrophobicContact CH2-CB 3.92Å; W94-L103 HydrophobicContact CH2-CD1 4.45Å; W94-L103 HydrophobicContact CH2-CD2 4.3Å; W94-L103 HydrophobicContact CH2-CG 4.45Å; W94-L103 HydrophobicContact CZ2-CB 4.22Å; W94-L103 HydrophobicContact CZ2-CD1 3.88Å; W94-L103 HydrophobicContact CZ2-CD2 4.19Å; W94-L103 HydrophobicContact CZ2-CG 4.32Å; W94-L103 HydrophobicContact CZ3-CB 3.8Å; L103-K118 CarbonylContact O-C 3.27Å; L103-K118 VanDerWaalsContact O-CA 3.27Å; L103-K118 WeakPolarHBondContact O-CA 3.49Å; L103-T119 PolarHBondContact N-O 2.97Å; L103-T119 PolarHBondContact O-N 2.96Å
104R88.6Confident84.2Confident6 Ų660.5 Ų60.52%0.02330%0.302CS..EExtended strand (participates in β ladder)trans-79.7125.6173.6-63-177.9174178-6.2109.9Q93 E95 P107 T111 Y112 Y114Q93-R104 HydrophobicContact CB-CB 4.2Å; Q93-R104 HydrophobicContact CB-CG 4.34Å; Q93-R104 WeakPolarHBondContact O-CB 3.37Å; Q93-R104 PolarHBondContact O-N 2.77Å; Q93-R104 VanDerWaalsContact OE1-NH1 3.1Å; E95-R104 IonicContact OE1-CZ 3.2Å; E95-R104 VanDerWaalsContact OE1-CZ 3.27Å; E95-R104 IonicContact OE1-NE 2.96Å; E95-R104 PolarHBondContact OE1-NE 3.31Å; E95-R104 IonicContact OE1-NH2 3.51Å; E95-R104 PolarHBondContact OE1-NH2 3.39Å; R104-P107 HydrophobicContact CB-CB 4.31Å; R104-P107 HydrophobicContact CB-CG 4.47Å; R104-T111 PolarHBondContact NH1-O 2.91Å; R104-T111 PolarHBondContact NH2-O 2.88Å; R104-Y112 PolarHBondContact NH2-O 3.22Å; R104-Y114 HydrophobicContact CB-CD1 4.17Å; R104-Y114 HydrophobicContact CB-CE1 3.88Å; R104-Y114 HydrophobicContact CG-CD1 3.71Å; R104-Y114 HydrophobicContact CG-CE1 3.95Å; R104-Y114 HydrophobicContact CG-CG 4.23Å; R104-Y114 VanDerWaalsContact CZ-CB 3.44Å
105I86.1Confident83.9Confident73 Ų7369.4 Ų69.437%0.37434%0.337SS..SBendtrans-90.7121.9179.4-56.3172.5000108.9Y114 N117I105-Y114 PolarHBondContact O-OH 3.03Å; I105-N117 WeakPolarHBondContact CB-O 3.28Å; I105-N117 HydrophobicContact CD1-CB 4.22Å; I105-N117 PolarHBondContact N-O 3.34Å
106N81.7Confident83.6Confident143 Ų14370.1 Ų70.177%0.76535%0.349SS*.SBendtrans53.657.1-178.9-61.8-28.6000114.9Q108N106-Q108 PolarHBondContact O-N 3.01Å
107P81.5Confident83.7Confident40 Ų4076.1 Ų76.126%0.2638%0.381SS..  trans-70.7128.117731.2-33.7000110.9Q93 R104Q93-P107 HydrophobicContact CB-CB 4.49Å; Q93-P107 HydrophobicContact CB-CG 4.19Å; Q93-P107 VanDerWaalsContact CD-CB 3.47Å; Q93-P107 HydrophobicContact CG-CB 4.18Å; Q93-P107 HydrophobicContact CG-CG 3.85Å; R104-P107 HydrophobicContact CB-CB 4.31Å; R104-P107 HydrophobicContact CB-CG 4.47Å
108Q75.8Confident83.9Confident185 Ų18577.6 Ų77.686%0.86438%0.381SS*.SBendtrans-83.3-42.9174.2-68.8-161.6-500112.1N106N106-Q108 PolarHBondContact O-N 3.01Å
109D82Confident84.2Confident113 Ų11377.1 Ų77.160%0.60439%0.387SS*.SBendtrans-121.4163.6-179.7-63.5-47.3000111.3Q93 T111Q93-D109 PolarHBondContact NE2-O 2.86Å; Q93-D109 PolarHBondContact OE1-O 2.87Å; D109-T111 HydrophobicContact CB-CG2 4.03Å
110F82.8Confident84.2Confident38 Ų3881 Ų8117%0.16740%0.402CS..  trans-103.379.3171.3-177-113.8000109.9D59 L61 V85 R87 Q93D59-F110 HydrophobicContact CB-CE1 3.72Å; D59-F110 HydrophobicContact CB-CZ 3.92Å; L61-F110 HydrophobicContact CB-CE1 3.83Å; L61-F110 HydrophobicContact CB-CZ 3.89Å; L61-F110 HydrophobicContact CD1-CD1 4.05Å; L61-F110 HydrophobicContact CD1-CE1 3.91Å; V85-F110 HydrophobicContact CG1-CD2 4.31Å; V85-F110 HydrophobicContact CG1-CE2 3.76Å; V85-F110 HydrophobicContact CG1-CZ 4.45Å; R87-F110 HydrophobicContact CB-CD2 4.23Å; R87-F110 HydrophobicContact CB-CE2 3.75Å; R87-F110 HydrophobicContact CB-CZ 4.11Å; Q93-F110 HydrophobicContact CG-CD2 4.06Å
111T83.3Confident84.2Confident64 Ų6481 Ų8139%0.39341%0.406SS..  trans-109.1156.9178.352.90000110.7R104 D109 D113R104-T111 PolarHBondContact NH1-O 2.91Å; R104-T111 PolarHBondContact NH2-O 2.88Å; D109-T111 HydrophobicContact CB-CG2 4.03Å; T111-D113 PolarHBondContact OG1-O 2.93Å
112Y81.1Confident84.1Confident54 Ų5485 Ų8521%0.21243%0.427CS..SBendtrans-63.4-52.7174.8-170.1-111.8000111.1L61 G82 P83 V85 R104L61-Y112 VanDerWaalsContact CD2-CB 3.47Å; L61-Y112 HydrophobicContact CD2-CD2 3.59Å; L61-Y112 HydrophobicContact CD2-CG 3.96Å; G82-Y112 WeakPolarHBondContact CA-OH 3.5Å; P83-Y112 WeakPolarHBondContact O-CE2 3.32Å; V85-Y112 HydrophobicContact CG2-CD2 3.96Å; V85-Y112 HydrophobicContact CG2-CE2 4.37Å; R104-Y112 PolarHBondContact NH2-O 3.22Å
113D81.2Confident83.8Confident102 Ų10286 Ų8655%0.54543%0.433SS..  trans-82.8125.7178.2-61.1-47.9000110.6T111 Y115T111-D113 PolarHBondContact OG1-O 2.93Å; D113-Y115 HydrophobicContact CB-CE2 4.15Å
114Y81.4Confident82.9Confident41 Ų4189.1 Ų89.116%0.16146%0.459CS..  trans-132.4120.5176.6-178-108.9000110.7R104 I105 G116 K118R104-Y114 HydrophobicContact CB-CD1 4.17Å; R104-Y114 HydrophobicContact CB-CE1 3.88Å; R104-Y114 HydrophobicContact CG-CD1 3.71Å; R104-Y114 HydrophobicContact CG-CE1 3.95Å; R104-Y114 HydrophobicContact CG-CG 4.23Å; R104-Y114 VanDerWaalsContact CZ-CB 3.44Å; I105-Y114 PolarHBondContact O-OH 3.03Å; Y114-G116 VanDerWaalsContact CE1-C 3.4Å; Y114-G116 VanDerWaalsContact CE1-CA 3.44Å; Y114-G116 VanDerWaalsContact CZ-CA 3.44Å; Y114-K118 HydrophobicContact CD1-CD 4.43Å; Y114-K118 HydrophobicContact CD1-CG 4.04Å; Y114-K118 HydrophobicContact CE1-CG 4.15Å; Y114-K118 WeakPolarHBondContact O-CE 3.16Å; Y114-K118 PolarHBondContact O-NZ 3.39Å
115Y80.9Confident82.1Confident214 Ų21490.8 Ų90.884%0.83948%0.477SS*.  trans-102.67-177-62.1-79.4000113.8D113D113-Y115 HydrophobicContact CB-CE2 4.15Å
116G82.3Confident81.8Confident32 Ų3292.7 Ų92.733%0.3349%0.488SS..SBendtrans-87.8-175.9177.800000113.9Y114Y114-G116 VanDerWaalsContact CE1-C 3.4Å; Y114-G116 VanDerWaalsContact CE1-CA 3.44Å; Y114-G116 VanDerWaalsContact CZ-CA 3.44Å
117N86.9Confident82.1Confident128 Ų12887.3 Ų87.368%0.68446%0.458SS*.  trans-70136.9-179.7-74.9-17.3000111.9I105I105-N117 WeakPolarHBondContact CB-O 3.28Å; I105-N117 HydrophobicContact CD1-CB 4.22Å; I105-N117 PolarHBondContact N-O 3.34Å
118K88.9Confident82.3Confident81 Ų8187.6 Ų87.635%0.35246%0.459SS..EExtended strand (participates in β ladder)trans-125.9139.6-179.2-59.4174.9-175.71800110.1E95 A102 L103 Y114E95-K118 WeakPolarHBondContact OE1-CE 3.49Å; E95-K118 IonicContact OE1-NZ 2.73Å; E95-K118 PolarHBondContact OE1-NZ 2.92Å; E95-K118 WeakPolarHBondContact OE2-CE 3.32Å; E95-K118 IonicContact OE2-NZ 2.99Å; E95-K118 PolarHBondContact OE2-NZ 3.42Å; A102-K118 HydrophobicContact CB-CB 4.35Å; L103-K118 CarbonylContact O-C 3.27Å; L103-K118 VanDerWaalsContact O-CA 3.27Å; L103-K118 WeakPolarHBondContact O-CA 3.49Å; Y114-K118 HydrophobicContact CD1-CD 4.43Å; Y114-K118 HydrophobicContact CD1-CG 4.04Å; Y114-K118 HydrophobicContact CE1-CG 4.15Å; Y114-K118 WeakPolarHBondContact O-CE 3.16Å; Y114-K118 PolarHBondContact O-NZ 3.39Å
119T87.6Confident82.9Confident74 Ų7479.4 Ų79.445%0.45442%0.42SS..EExtended strand (participates in β ladder)trans-99.5110.6170.72.10000109A102 L103A102-T119 CarbonylContact C-O 3.6Å; A102-T119 VanDerWaalsContact CA-O 3.31Å; A102-T119 WeakPolarHBondContact CA-O 3.33Å; L103-T119 PolarHBondContact N-O 2.97Å; L103-T119 PolarHBondContact O-N 2.96Å
120M86.4Confident83Confident126 Ų12674.7 Ų74.762%0.62140%0.395SS*.EExtended strand (participates in β ladder)trans-87.6136.7-179.6-69.1-112.8-7500110.9A102A102-M120 HydrophobicContact CB-CG 4.02Å; A102-M120 HydrophobicContact CB-SD 3.95Å
121K86.3Confident83.1Confident136 Ų13677.4 Ų77.459%0.59141%0.408SS*.EExtended strand (participates in β ladder)trans-139.5133.8176.4-168.5-179.9177.6-177.40110.4S101S101-K121 PolarHBondContact N-O 2.73Å; S101-K121 PolarHBondContact O-N 2.98Å; S101-K121 VanDerWaalsContact O-O 3.12Å; S101-K121 PolarHBondContact OG-O 3.48Å
122D84.4Confident82.9Confident94 Ų9477.6 Ų77.650%0.50341%0.409SS..EExtended strand (participates in β ladder)trans-71.8143.7171.3-62.8-45.3000110.3R100 S124R100-D122 WeakPolarHBondContact CG-OD1 3.29Å; R100-D122 IonicContact NE-OD1 2.83Å; D122-S124 PolarHBondContact O-N 2.91Å
123C82Confident82.7Confident23 Ų2381 Ų8116%0.15543%0.427CS..  trans-83.1112-170.8-54.40000110.8C51 C99 R100 G125 F127C51-C123 HydrophobicContact CB-CB 3.71Å; C51-C123 WeakPolarHBondContact CB-SG 3.11Å; C51-C123 WeakPolarHBondContact SG-CB 3.37Å; C51-C123 CovalentContact SG-SG 1.99Å; C51-C123 PolarHBondContact SG-SG 3.39Å; C99-C123 VanDerWaalsContact C-SG 3.58Å; C99-C123 PolarHBondContact O-N 3.4Å; R100-C123 VanDerWaalsContact C-SG 3.54Å; C123-G125 PolarHBondContact O-N 3.04Å; C123-F127 HydrophobicContact CB-CE1 3.87Å; C123-F127 HydrophobicContact CB-CZ 4.34Å
124S69.9Low82.7Confident105 Ų10576.5 Ų76.573%0.73440%0.403SS*.  trans-96.184.1-176.2-46.20000111.2D122 N126D122-S124 PolarHBondContact O-N 2.91Å; S124-N126 PolarHBondContact O-N 3.17Å
125G70.9Confident82.7Confident40 Ų4080 Ų8041%0.41242%0.421SS..SBendtrans81.36.9159.900000118.3C123C123-G125 PolarHBondContact O-N 3.04Å
126N81.6Confident83Confident113 Ų11370.5 Ų70.560%0.60439%0.386SS*.  trans-125.1111.1172.6-67.3-30.3000109.8S52 S124S52-N126 VanDerWaalsContact CB-O 3.27Å; S52-N126 WeakPolarHBondContact CB-O 3.14Å; S52-N126 PolarHBondContact N-O 3.13Å; S124-N126 PolarHBondContact O-N 3.17Å
127F87.4Confident83.4Confident30 Ų3069 Ų6913%0.13237%0.37CS..EExtended strand (participates in β ladder)trans-121.6150.3-179.5-58.3-79.2000110.7F49 V50 C123 Y129 D143 V145F49-F127 AromaticContact CD2-CD1 3.9Å; F49-F127 HydrophobicContact CD2-CD1 3.9Å; F49-F127 HydrophobicContact CD2-CG 4.42Å; F49-F127 HydrophobicContact CE2-CD1 4.13Å; F49-F127 HydrophobicContact CE2-CE1 4.34Å; V50-F127 WeakPolarHBondContact O-CA 3.39Å; C123-F127 HydrophobicContact CB-CE1 3.87Å; C123-F127 HydrophobicContact CB-CZ 4.34Å; F127-Y129 HydrophobicContact CB-CD2 4.43Å; F127-Y129 HydrophobicContact CB-CE1 4.47Å; F127-Y129 HydrophobicContact CB-CE2 3.72Å; F127-D143 HydrophobicContact CD2-CB 4.06Å; F127-D143 HydrophobicContact CE2-CB 4.32Å; F127-V145 HydrophobicContact CD1-CG2 3.98Å; F127-V145 HydrophobicContact CD2-CG2 3.6Å; F127-V145 HydrophobicContact CE1-CG2 3.87Å; F127-V145 HydrophobicContact CE2-CG2 3.48Å; F127-V145 VanDerWaalsContact CE2-CG2 3.48Å; F127-V145 HydrophobicContact CG-CG2 3.85Å; F127-V145 HydrophobicContact CZ-CG2 3.63Å
128V86.3Confident83.5Confident47 Ų4762.9 Ų62.929%0.28534%0.338SS..EExtended strand (participates in β ladder)trans-112.3122.5171.7-172.60000107.4F49 V50 L70 F74F49-V128 VanDerWaalsContact CA-O 3.25Å; F49-V128 WeakPolarHBondContact CA-O 3.34Å; V50-V128 HydrophobicContact CG2-CB 4.37Å; V50-V128 PolarHBondContact N-O 3.35Å; V50-V128 PolarHBondContact O-N 3.19Å; L70-V128 HydrophobicContact CD1-CB 4.41Å; L70-V128 HydrophobicContact CD1-CG1 4.24Å; L70-V128 HydrophobicContact CD1-CG2 4.36Å; F74-V128 HydrophobicContact CE2-CG1 3.82Å; F74-V128 HydrophobicContact CZ-CB 4.15Å; F74-V128 HydrophobicContact CZ-CG1 3.78Å; F74-V128 WeakPolarHBondContact CZ-O 3.45Å
129Y87.3Confident83.5Confident13 Ų1359 Ų595%0.05132%0.321CS..EExtended strand (participates in β ladder)trans-103.3150.7-176.1-64.4-81.4000111.4P47 F49 F127 H131 T140 D143 V145P47-Y129 HydrophobicContact CG-CD1 4.01Å; F49-Y129 HydrophobicContact CB-CD1 3.38Å; F49-Y129 HydrophobicContact CB-CE1 3.6Å; F49-Y129 HydrophobicContact CB-CG 4.21Å; F49-Y129 HydrophobicContact CD1-CE1 4.39Å; F49-Y129 HydrophobicContact CD2-CE1 4.37Å; F49-Y129 HydrophobicContact CG-CD1 4.17Å; F49-Y129 AromaticContact CG-CE1 3.9Å; F49-Y129 HydrophobicContact CG-CE1 3.9Å; F127-Y129 HydrophobicContact CB-CD2 4.43Å; F127-Y129 HydrophobicContact CB-CE1 4.47Å; F127-Y129 HydrophobicContact CB-CE2 3.72Å; Y129-H131 PolarHBondContact O-CD2 3.02Å; Y129-H131 VanDerWaalsContact O-CD2 3.26Å; Y129-T140 HydrophobicContact CD1-CG2 3.77Å; Y129-T140 HydrophobicContact CD2-CG2 4.1Å; Y129-T140 HydrophobicContact CE1-CG2 4.23Å; Y129-T140 HydrophobicContact CG-CG2 3.71Å; Y129-D143 WeakPolarHBondContact CE2-OD1 3.48Å; Y129-D143 PolarHBondContact OH-OD1 3.34Å; Y129-V145 HydrophobicContact CE1-CG1 4.01Å; Y129-V145 WeakPolarHBondContact OH-CG2 3.4Å
130D84.4Confident83.4Confident13 Ų1356.1 Ų56.17%0.0730%0.303CS..  trans-79.2117.3170-176.4-0.5000110.4P47 N48 F74 T132P47-D130 WeakPolarHBondContact CB-O 3.27Å; N48-D130 HydrophobicContact CB-CB 4.07Å; N48-D130 WeakPolarHBondContact O-CB 3.4Å; N48-D130 PolarHBondContact O-N 3.21Å; F74-D130 HydrophobicContact CB-CB 3.89Å; F74-D130 HydrophobicContact CD1-CB 3.99Å; F74-D130 HydrophobicContact CD2-CB 4.36Å; F74-D130 HydrophobicContact CG-CB 3.87Å; D130-T132 VanDerWaalsContact CG-OG1 3.27Å; D130-T132 VanDerWaalsContact OD1-CB 3.32Å; D130-T132 WeakPolarHBondContact OD1-CB 3.14Å; D130-T132 VanDerWaalsContact OD1-CG2 3.24Å; D130-T132 WeakPolarHBondContact OD1-CG2 3.46Å; D130-T132 PolarHBondContact OD1-N 3.4Å; D130-T132 PolarHBondContact OD1-OG1 3.15Å; D130-T132 PolarHBondContact OD2-OG1 3.22Å
131H84Confident83.5Confident95 Ų9553.7 Ų53.744%0.4429%0.293SS..  trans-97.56.9-178.3-63.7-73.4000114.1Y129 V134 H135Y129-H131 PolarHBondContact O-CD2 3.02Å; Y129-H131 VanDerWaalsContact O-CD2 3.26Å; H131-V134 WeakPolarHBondContact CA-O 3.37Å; H131-H135 PolarHBondContact CE1-O 3.07Å; H131-H135 PolarHBondContact ND1-O 3.34Å
132T80.5Confident83.7Confident69 Ų6949.5 Ų49.542%0.42327%0.273SS..SBendtrans-69-45.4-174.455.10000113.5P75 D130 R263P75-T132 HydrophobicContact CG-CG2 4.21Å; D130-T132 VanDerWaalsContact CG-OG1 3.27Å; D130-T132 VanDerWaalsContact OD1-CB 3.32Å; D130-T132 WeakPolarHBondContact OD1-CB 3.14Å; D130-T132 VanDerWaalsContact OD1-CG2 3.24Å; D130-T132 WeakPolarHBondContact OD1-CG2 3.46Å; D130-T132 PolarHBondContact OD1-N 3.4Å; D130-T132 PolarHBondContact OD1-OG1 3.15Å; D130-T132 PolarHBondContact OD2-OG1 3.22Å; T132-R263 PolarHBondContact O-NH1 3.44Å
133E75.8Confident83.9Confident124 Ų12447.4 Ų47.458%0.57926%0.262SS*.SBendtrans-96.2-39177.8-64.3-161.9151.700112.7R263E133-R263 WeakPolarHBondContact O-CD 3.41Å
134V81Confident84.2Confident8 Ų846.5 Ų46.55%0.04826%0.256CS..  trans-124.1114.9-178.6-1800000109.3E45 P47 H131E45-V134 HydrophobicContact CG-CG2 4.26Å; E45-V134 WeakPolarHBondContact OE1-CG2 3.49Å; P47-V134 HydrophobicContact CB-CB 4.49Å; H131-V134 WeakPolarHBondContact CA-O 3.37Å
135H82.8Confident85.1Confident114 Ų11441.9 Ų41.953%0.52822%0.223SC..SBendtrans-77.2-42.1-177-172.7-79.1000111.9H131 R263 V264H131-H135 PolarHBondContact CE1-O 3.07Å; H131-H135 PolarHBondContact ND1-O 3.34Å; H135-R263 HydrophobicContact CB-CB 4.21Å; H135-R263 PolarHBondContact N-O 3.34Å; H135-R263 VanDerWaalsContact N-O 3.14Å; H135-V264 HydrophobicContact CB-CG2 4.18Å
136S86.1Confident85.8Confident15 Ų1541.3 Ų41.311%0.10521%0.212CC..BIsolated β-bridgetrans-154.4130.3174.3159.30000109.4D141 R263 W265S136-D141 PolarHBondContact OG-OD1 3.25Å; S136-D141 PolarHBondContact OG-OD2 3.16Å; S136-R263 PolarHBondContact N-O 3.17Å; S136-W265 PolarHBondContact O-N 3.38Å; S136-W265 VanDerWaalsContact O-N 3.15Å; S136-W265 PolarHBondContact OG-NE1 3.27Å
137S90.2Very high86Confident0 Ų044.1 Ų44.10%022%0.222CC..  trans-124.2170.4173.182.80000110.6E45 V139 T140 D141E45-S137 WeakPolarHBondContact O-CB 3.45Å; E45-S137 PolarHBondContact O-OG 2.86Å; S137-V139 PolarHBondContact O-N 2.88Å; S137-V139 PolarHBondContact OG-N 3.38Å; S137-T140 PolarHBondContact N-OG1 3.36Å; S137-T140 PolarHBondContact O-N 3.46Å; S137-T140 PolarHBondContact O-OG1 2.66Å; S137-T140 PolarHBondContact OG-N 2.96Å; S137-D141 PolarHBondContact O-N 2.97Å
138I89.3Confident86.1Confident0 Ų047.9 Ų47.90%024%0.238CC..Hα-helixtrans-62-29.7175.4-68.3159.2000111.5L43 W142 L144 F206 W265L43-I138 HydrophobicContact CB-CD1 3.71Å; L43-I138 HydrophobicContact CD2-CD1 4.23Å; L43-I138 WeakPolarHBondContact O-CB 3.44Å; L43-I138 WeakPolarHBondContact O-CD1 3.47Å; L43-I138 PolarHBondContact O-N 3.26Å; I138-W142 HydrophobicContact CB-CZ3 4.41Å; I138-W142 HydrophobicContact CG2-CE3 3.39Å; I138-W142 HydrophobicContact CG2-CH2 4.35Å; I138-W142 HydrophobicContact CG2-CZ3 3.3Å; I138-W142 PolarHBondContact O-N 3.45Å; I138-L144 HydrophobicContact CG2-CD1 3.91Å; I138-F206 HydrophobicContact CD1-CD2 4.45Å; I138-F206 HydrophobicContact CD1-CE1 3.72Å; I138-F206 HydrophobicContact CD1-CE2 3.48Å; I138-F206 VanDerWaalsContact CD1-CE2 3.48Å; I138-F206 HydrophobicContact CD1-CZ 3.05Å; I138-F206 HydrophobicContact CG1-CE2 4.22Å; I138-F206 HydrophobicContact CG1-CZ 4.12Å; I138-F206 HydrophobicContact CG2-CE1 4.49Å; I138-W265 HydrophobicContact CG1-CD2 4Å; I138-W265 HydrophobicContact CG1-CE3 4.02Å; I138-W265 HydrophobicContact CG1-CG 4.32Å
139V88.1Confident86.2Confident0 Ų049 Ų490%024%0.24CC..Hα-helixtrans-72.4-38.8179.5-175.40000110.5V44 T46 S137 D143 L144 V145 A152V44-V139 HydrophobicContact CG1-CG2 4.24Å; T46-V139 HydrophobicContact CG2-CB 4.15Å; T46-V139 HydrophobicContact CG2-CG1 3.68Å; T46-V139 HydrophobicContact CG2-CG2 3.87Å; S137-V139 PolarHBondContact O-N 2.88Å; S137-V139 PolarHBondContact OG-N 3.38Å; V139-D143 VanDerWaalsContact O-CA 3.3Å; V139-D143 WeakPolarHBondContact O-CA 3.22Å; V139-D143 PolarHBondContact O-N 3.01Å; V139-D143 VanDerWaalsContact O-N 3.07Å; V139-L144 HydrophobicContact CB-CB 4.44Å; V139-L144 HydrophobicContact CG1-CB 3.98Å; V139-L144 PolarHBondContact O-N 2.81Å; V139-V145 HydrophobicContact CG1-CG1 3.66Å; V139-A152 HydrophobicContact CG2-CB 4.05Å
140T87.4Confident86.2Confident14 Ų1455.8 Ų55.89%0.08627%0.266CS..Hα-helixtrans-72.7-35.6177.862.10000112.6P47 Y129 S137P47-T140 HydrophobicContact CG-CG2 3.5Å; P47-T140 VanDerWaalsContact CG-CG2 3.5Å; Y129-T140 HydrophobicContact CD1-CG2 3.77Å; Y129-T140 HydrophobicContact CD2-CG2 4.1Å; Y129-T140 HydrophobicContact CE1-CG2 4.23Å; Y129-T140 HydrophobicContact CG-CG2 3.71Å; S137-T140 PolarHBondContact N-OG1 3.36Å; S137-T140 PolarHBondContact O-N 3.46Å; S137-T140 PolarHBondContact O-OG1 2.66Å; S137-T140 PolarHBondContact OG-N 2.96Å
141D88.3Confident86.5Confident75 Ų7556 Ų5640%0.40127%0.267SS..Hα-helixtrans-76.7-26.6-175.3-76.923000113.4S136 S137 W265S136-D141 PolarHBondContact OG-OD1 3.25Å; S136-D141 PolarHBondContact OG-OD2 3.16Å; S137-D141 PolarHBondContact O-N 2.97Å; D141-W265 PolarHBondContact OD2-NE1 3Å
142W89.6Confident86.7Confident48 Ų4851.6 Ų51.618%0.18225%0.247CC..THydrogen-bonded Turntrans-118.513.8179.6-62.9-35.4000114I138 L144 L201 Y203 F206I138-W142 HydrophobicContact CB-CZ3 4.41Å; I138-W142 HydrophobicContact CG2-CE3 3.39Å; I138-W142 HydrophobicContact CG2-CH2 4.35Å; I138-W142 HydrophobicContact CG2-CZ3 3.3Å; I138-W142 PolarHBondContact O-N 3.45Å; W142-L144 VanDerWaalsContact C-N 3.33Å; W142-L144 HydrophobicContact CB-CD2 4.1Å; W142-L144 HydrophobicContact CB-CG 4.02Å; W142-L144 HydrophobicContact CE3-CD1 4.4Å; W142-L144 PolarHBondContact O-N 3.39Å; W142-L201 PolarHBondContact NE1-O 3.35Å; W142-Y203 AromaticContact CE3-CD2 3.86Å; W142-Y203 HydrophobicContact CE3-CD2 3.86Å; W142-Y203 HydrophobicContact CE3-CG 4.26Å; W142-Y203 HydrophobicContact CZ3-CD2 4.16Å; W142-F206 HydrophobicContact CH2-CB 3.38Å; W142-F206 HydrophobicContact CH2-CD1 4.28Å; W142-F206 HydrophobicContact CH2-CD2 4.01Å; W142-F206 AromaticContact CH2-CG 3.64Å; W142-F206 HydrophobicContact CH2-CG 3.64Å; W142-F206 HydrophobicContact CZ2-CB 4.43Å; W142-F206 HydrophobicContact CZ3-CB 3.74Å; W142-F206 AromaticContact CZ3-CD1 3.89Å; W142-F206 HydrophobicContact CZ3-CD1 3.89Å; W142-F206 HydrophobicContact CZ3-CD2 4.34Å; W142-F206 AromaticContact CZ3-CG 3.73Å; W142-F206 HydrophobicContact CZ3-CG 3.73Å
143D89Confident87.1Confident50 Ų5050.7 Ų50.727%0.26724%0.237SC..THydrogen-bonded Turntrans46.651.2-179.3-62.3-52.3000113F127 Y129 V139 V145F127-D143 HydrophobicContact CD2-CB 4.06Å; F127-D143 HydrophobicContact CE2-CB 4.32Å; Y129-D143 WeakPolarHBondContact CE2-OD1 3.48Å; Y129-D143 PolarHBondContact OH-OD1 3.34Å; V139-D143 VanDerWaalsContact O-CA 3.3Å; V139-D143 WeakPolarHBondContact O-CA 3.22Å; V139-D143 PolarHBondContact O-N 3.01Å; V139-D143 VanDerWaalsContact O-N 3.07Å; D143-V145 PolarHBondContact O-N 2.93Å
144L88Confident87.8Confident4 Ų447.7 Ų47.72%0.02123%0.225CC..  trans-81.849.7-176.9-56.1176.6000112.3I138 V139 W142 E149 L151 A152 Y203I138-L144 HydrophobicContact CG2-CD1 3.91Å; V139-L144 HydrophobicContact CB-CB 4.44Å; V139-L144 HydrophobicContact CG1-CB 3.98Å; V139-L144 PolarHBondContact O-N 2.81Å; W142-L144 VanDerWaalsContact C-N 3.33Å; W142-L144 HydrophobicContact CB-CD2 4.1Å; W142-L144 HydrophobicContact CB-CG 4.02Å; W142-L144 HydrophobicContact CE3-CD1 4.4Å; W142-L144 PolarHBondContact O-N 3.39Å; L144-E149 WeakPolarHBondContact O-CA 3.38Å; L144-L151 HydrophobicContact CD2-CB 4.08Å; L144-L151 HydrophobicContact CD2-CD1 4.12Å; L144-A152 HydrophobicContact CB-CB 4.06Å; L144-A152 HydrophobicContact CD1-CB 4.37Å; L144-Y203 HydrophobicContact CD1-CD2 3.7Å; L144-Y203 HydrophobicContact CD1-CE2 3.86Å; L144-Y203 HydrophobicContact CD2-CD2 4.11Å; L144-Y203 HydrophobicContact CD2-CE2 4.49Å
145V88.1Confident88.3Confident7 Ų747.7 Ų47.74%0.04223%0.225CC..  trans-119.3165.5-178.1-64.60000111.5F49 F127 Y129 V139 D143 E147 K148F49-V145 HydrophobicContact CD1-CG1 4.18Å; F49-V145 HydrophobicContact CD2-CB 4.34Å; F49-V145 HydrophobicContact CD2-CG1 4.3Å; F49-V145 HydrophobicContact CD2-CG2 4.16Å; F49-V145 HydrophobicContact CE1-CB 4.19Å; F49-V145 HydrophobicContact CE1-CG1 3.8Å; F49-V145 HydrophobicContact CE2-CB 3.58Å; F49-V145 HydrophobicContact CE2-CG1 3.9Å; F49-V145 HydrophobicContact CE2-CG2 3.66Å; F49-V145 HydrophobicContact CG-CG1 4.44Å; F49-V145 HydrophobicContact CZ-CB 3.53Å; F49-V145 HydrophobicContact CZ-CG1 3.67Å; F49-V145 HydrophobicContact CZ-CG2 4.16Å; F127-V145 HydrophobicContact CD1-CG2 3.98Å; F127-V145 HydrophobicContact CD2-CG2 3.6Å; F127-V145 HydrophobicContact CE1-CG2 3.87Å; F127-V145 HydrophobicContact CE2-CG2 3.48Å; F127-V145 VanDerWaalsContact CE2-CG2 3.48Å; F127-V145 HydrophobicContact CG-CG2 3.85Å; F127-V145 HydrophobicContact CZ-CG2 3.63Å; Y129-V145 HydrophobicContact CE1-CG1 4.01Å; Y129-V145 WeakPolarHBondContact OH-CG2 3.4Å; V139-V145 HydrophobicContact CG1-CG1 3.66Å; D143-V145 PolarHBondContact O-N 2.93Å; V145-E147 PolarHBondContact O-N 3.08Å; V145-E147 VanDerWaalsContact O-N 3.13Å; V145-K148 PolarHBondContact O-N 3.16Å
146C86Confident88.6Confident29 Ų2942.5 Ų42.520%0.19620%0.201CC..G310 helixtrans54.8-113.8177.6-54.50000112.4R98 C99 K148 E149R98-C146 PolarHBondContact O-SG 3.45Å; C99-C146 WeakPolarHBondContact CA-SG 3.27Å; C99-C146 HydrophobicContact CB-CB 3.85Å; C99-C146 WeakPolarHBondContact CB-SG 3.36Å; C99-C146 VanDerWaalsContact SG-CA 3.55Å; C99-C146 WeakPolarHBondContact SG-CB 3.34Å; C99-C146 CovalentContact SG-SG 2.03Å; C99-C146 PolarHBondContact SG-SG 3.24Å; C146-K148 PolarHBondContact O-N 3.49Å; C146-K148 VanDerWaalsContact O-N 3.14Å; C146-E149 VanDerWaalsContact O-CB 3.25Å; C146-E149 WeakPolarHBondContact O-CB 3.26Å; C146-E149 PolarHBondContact O-N 3.04Å; C146-E149 VanDerWaalsContact O-N 3.12Å
147E86.8Confident88.9Confident171 Ų17142 Ų4280%0.79920%0.198SC*.G310 helixtrans-59.9-25.9179.5-63.3-173.7171.200113.5V145 W150V145-E147 PolarHBondContact O-N 3.08Å; V145-E147 VanDerWaalsContact O-N 3.13Å; E147-W150 PolarHBondContact O-NE1 3.42Å
148K88.6Confident89.1Confident110 Ų11043.4 Ų43.448%0.47821%0.206SC..G310 helixtrans-99.62.5-179.2-68.7-178.9-175.8172.70113.6V145 C146 W150 L151V145-K148 PolarHBondContact O-N 3.16Å; C146-K148 PolarHBondContact O-N 3.49Å; C146-K148 VanDerWaalsContact O-N 3.14Å; K148-W150 PolarHBondContact O-N 3.27Å; K148-L151 HydrophobicContact CB-CD1 4.15Å; K148-L151 HydrophobicContact CG-CD1 4.28Å; K148-L151 VanDerWaalsContact O-CB 3.29Å; K148-L151 WeakPolarHBondContact O-CB 3.29Å; K148-L151 PolarHBondContact O-N 3.13Å
149E87.9Confident89.3Confident71 Ų7143.5 Ų43.533%0.33221%0.207SC..Hα-helixtrans-58.6-33.7-176.7-170.7-172.1149.800113L144 C146 L151 A152 K153L144-E149 WeakPolarHBondContact O-CA 3.38Å; C146-E149 VanDerWaalsContact O-CB 3.25Å; C146-E149 WeakPolarHBondContact O-CB 3.26Å; C146-E149 PolarHBondContact O-N 3.04Å; C146-E149 VanDerWaalsContact O-N 3.12Å; E149-L151 PolarHBondContact O-N 3.24Å; E149-A152 WeakPolarHBondContact O-CB 3.02Å; E149-A152 PolarHBondContact O-N 3.22Å; E149-A152 VanDerWaalsContact O-N 3.11Å; E149-K153 HydrophobicContact CG-CD 4.49Å; E149-K153 PolarHBondContact O-N 3.18Å; E149-K153 VanDerWaalsContact O-N 3.11Å; E149-K153 WeakPolarHBondContact OE1-CE 3.31Å; E149-K153 IonicContact OE1-NZ 3.1Å; E149-K153 PolarHBondContact OE1-NZ 3.33Å
150W88.6Confident89.4Confident155 Ų15543.5 Ų43.559%0.58721%0.207SC*.Hα-helixtrans-61-27.4177.369.6-88.3000113E147 K148 K153 L154E147-W150 PolarHBondContact O-NE1 3.42Å; K148-W150 PolarHBondContact O-N 3.27Å; W150-K153 PolarHBondContact O-N 2.89Å; W150-L154 HydrophobicContact CE3-CD2 4.43Å; W150-L154 HydrophobicContact CZ3-CD2 4.04Å; W150-L154 WeakPolarHBondContact O-CB 3.2Å; W150-L154 PolarHBondContact O-N 3.37Å
151L90.6Very high89.7Confident16 Ų1646.6 Ų46.68%0.08422%0.222CC..Hα-helixtrans-68.7-41.1175.6-67.5168.8000111.2L144 K148 E149 L154 C155 Y203L144-L151 HydrophobicContact CD2-CB 4.08Å; L144-L151 HydrophobicContact CD2-CD1 4.12Å; K148-L151 HydrophobicContact CB-CD1 4.15Å; K148-L151 HydrophobicContact CG-CD1 4.28Å; K148-L151 VanDerWaalsContact O-CB 3.29Å; K148-L151 WeakPolarHBondContact O-CB 3.29Å; K148-L151 PolarHBondContact O-N 3.13Å; E149-L151 PolarHBondContact O-N 3.24Å; L151-L154 PolarHBondContact O-N 2.87Å; L151-C155 PolarHBondContact O-SG 3.28Å; L151-C155 VanDerWaalsContact O-SG 3.36Å; L151-Y203 HydrophobicContact CB-CE1 4.18Å; L151-Y203 HydrophobicContact CB-CE2 4.01Å; L151-Y203 HydrophobicContact CD2-CD1 4.43Å; L151-Y203 HydrophobicContact CD2-CE1 3.66Å; L151-Y203 HydrophobicContact CG-CE1 4.39Å; L151-Y203 PolarHBondContact O-OH 3.2Å
152A88.6Confident90Very high3 Ų343 Ų433%0.02520%0.203CC..Hα-helixtrans-60.9-48.1172.600000110V44 V139 L144 E149 L154 C155V44-A152 HydrophobicContact CG1-CB 3.8Å; V44-A152 WeakPolarHBondContact CG1-O 3.44Å; V139-A152 HydrophobicContact CG2-CB 4.05Å; L144-A152 HydrophobicContact CB-CB 4.06Å; L144-A152 HydrophobicContact CD1-CB 4.37Å; E149-A152 WeakPolarHBondContact O-CB 3.02Å; E149-A152 PolarHBondContact O-N 3.22Å; E149-A152 VanDerWaalsContact O-N 3.11Å; A152-L154 PolarHBondContact O-N 3.35Å; A152-C155 WeakPolarHBondContact O-CB 3.43Å; A152-C155 PolarHBondContact O-N 3.46Å; A152-C155 VanDerWaalsContact O-N 3.15Å
153K88.3Confident90.1Very high50 Ų5040.7 Ų40.722%0.21719%0.194CC..Hα-helixtrans-61.6-28178.7-67.9178.2167.6168.50113.9E149 W150 C155 P157 Y506 D509E149-K153 HydrophobicContact CG-CD 4.49Å; E149-K153 PolarHBondContact O-N 3.18Å; E149-K153 VanDerWaalsContact O-N 3.11Å; E149-K153 WeakPolarHBondContact OE1-CE 3.31Å; E149-K153 IonicContact OE1-NZ 3.1Å; E149-K153 PolarHBondContact OE1-NZ 3.33Å; W150-K153 PolarHBondContact O-N 2.89Å; K153-C155 VanDerWaalsContact C-N 3.33Å; K153-C155 PolarHBondContact O-N 2.92Å; K153-P157 WeakPolarHBondContact O-CD 3.34Å; K153-Y506 HydrophobicContact CB-CD2 3.86Å; K153-Y506 HydrophobicContact CB-CE1 4.34Å; K153-Y506 HydrophobicContact CB-CE2 3.69Å; K153-Y506 HydrophobicContact CB-CG 4.3Å; K153-Y506 HydrophobicContact CD-CD1 4.17Å; K153-Y506 HydrophobicContact CD-CD2 4.32Å; K153-Y506 HydrophobicContact CD-CG 3.98Å; K153-Y506 HydrophobicContact CG-CD1 3.8Å; K153-Y506 HydrophobicContact CG-CD2 3.98Å; K153-Y506 HydrophobicContact CG-CE1 3.85Å; K153-Y506 HydrophobicContact CG-CE2 4.05Å; K153-Y506 HydrophobicContact CG-CG 3.89Å; K153-Y506 WeakPolarHBondContact O-CE2 3.2Å; K153-Y506 PolarHBondContact O-OH 3.47Å; K153-D509 WeakPolarHBondContact CE-OD2 3.44Å; K153-D509 IonicContact NZ-OD2 2.82Å; K153-D509 PolarHBondContact NZ-OD2 3Å
154L90.8Very high90.2Very high61 Ų6139.8 Ų39.832%0.31919%0.189SC..Hα-helixtrans-76.7-15.8179.7-170.560.5000113.9W150 L151 A152 P157 T158W150-L154 HydrophobicContact CE3-CD2 4.43Å; W150-L154 HydrophobicContact CZ3-CD2 4.04Å; W150-L154 WeakPolarHBondContact O-CB 3.2Å; W150-L154 PolarHBondContact O-N 3.37Å; L151-L154 PolarHBondContact O-N 2.87Å; A152-L154 PolarHBondContact O-N 3.35Å; L154-P157 WeakPolarHBondContact O-CD 3.46Å; L154-T158 WeakPolarHBondContact O-CB 3.44Å; L154-T158 PolarHBondContact O-N 3.48Å; L154-T158 VanDerWaalsContact O-N 3.1Å; L154-T158 PolarHBondContact O-OG1 2.84Å
155C90.6Very high90.5Very high8 Ų841.8 Ų41.85%0.05420%0.201CC..Hα-helixtrans-60.9-51-175-70.10000112.9V44 L151 A152 K153 T158 F159V44-C155 HydrophobicContact CG2-CB 3.93Å; L151-C155 PolarHBondContact O-SG 3.28Å; L151-C155 VanDerWaalsContact O-SG 3.36Å; A152-C155 WeakPolarHBondContact O-CB 3.43Å; A152-C155 PolarHBondContact O-N 3.46Å; A152-C155 VanDerWaalsContact O-N 3.15Å; K153-C155 VanDerWaalsContact C-N 3.33Å; K153-C155 PolarHBondContact O-N 2.92Å; C155-T158 PolarHBondContact O-N 3.44Å; C155-F159 PolarHBondContact O-N 3.04Å
156Q90.5Very high90.6Very high6 Ų641.5 Ų41.53%0.02820%0.199CC..Hα-helixtrans-71.2-42.5-176.4-173.367.9-11.300113.6Y37 S40 T158 F159 M160 L386 P502Y37-Q156 PolarHBondContact O-NE2 2.91Å; Y37-Q156 VanDerWaalsContact O-NE2 3.13Å; S40-Q156 PolarHBondContact OG-OE1 3.24Å; Q156-T158 VanDerWaalsContact C-N 3.31Å; Q156-T158 PolarHBondContact O-N 3.24Å; Q156-F159 WeakPolarHBondContact O-CB 3.34Å; Q156-F159 PolarHBondContact O-N 3.33Å; Q156-M160 WeakPolarHBondContact O-CG 3.27Å; Q156-M160 PolarHBondContact O-N 3.34Å; Q156-L386 HydrophobicContact CG-CD1 4.19Å; Q156-P502 HydrophobicContact CB-CB 4.03Å; Q156-P502 HydrophobicContact CB-CG 4.05Å; Q156-P502 HydrophobicContact CG-CB 3.93Å; Q156-P502 HydrophobicContact CG-CG 3.52Å
157P92Very high90.7Very high5 Ų541 Ų413%0.03220%0.198CC..Hα-helixtrans-57.3-41.3170.7-26.534.2000113.5K153 L154 F159 M160 L161 P502 F503K153-P157 WeakPolarHBondContact O-CD 3.34Å; L154-P157 WeakPolarHBondContact O-CD 3.46Å; P157-F159 VanDerWaalsContact C-N 3.33Å; P157-F159 PolarHBondContact O-N 2.88Å; P157-M160 PolarHBondContact O-N 3.46Å; P157-L161 PolarHBondContact O-N 2.67Å; P157-P502 HydrophobicContact CG-CB 3.95Å; P157-P502 HydrophobicContact CG-CG 4.22Å; P157-F503 HydrophobicContact CB-CD2 4.29Å; P157-F503 HydrophobicContact CB-CE1 4.43Å; P157-F503 HydrophobicContact CB-CE2 3.48Å; P157-F503 VanDerWaalsContact CB-CE2 3.48Å; P157-F503 HydrophobicContact CB-CZ 3.57Å; P157-F503 HydrophobicContact CG-CD1 4.31Å; P157-F503 HydrophobicContact CG-CD2 4.03Å; P157-F503 HydrophobicContact CG-CE1 3.87Å; P157-F503 HydrophobicContact CG-CE2 3.58Å; P157-F503 HydrophobicContact CG-CG 4.39Å; P157-F503 HydrophobicContact CG-CZ 3.49Å; P157-F503 VanDerWaalsContact CG-CZ 3.49Å
158T93.5Very high90.8Very high29 Ų2937.3 Ų37.318%0.17818%0.183CC..Hα-helixtrans-64.8-39.8177.9-55.20000111.2L154 C155 Q156 M160 L161 G162 V207 F211L154-T158 WeakPolarHBondContact O-CB 3.44Å; L154-T158 PolarHBondContact O-N 3.48Å; L154-T158 VanDerWaalsContact O-N 3.1Å; L154-T158 PolarHBondContact O-OG1 2.84Å; C155-T158 PolarHBondContact O-N 3.44Å; Q156-T158 VanDerWaalsContact C-N 3.31Å; Q156-T158 PolarHBondContact O-N 3.24Å; T158-M160 PolarHBondContact O-N 3.5Å; T158-L161 WeakPolarHBondContact O-CB 3.21Å; T158-L161 PolarHBondContact O-N 3Å; T158-G162 PolarHBondContact O-N 2.88Å; T158-V207 HydrophobicContact CG2-CG1 3.67Å; T158-F211 HydrophobicContact CG2-CB 4.39Å; T158-F211 HydrophobicContact CG2-CD2 4.07Å; T158-F211 WeakPolarHBondContact O-CD2 3.33Å
159F93.1Very high90.9Very high2 Ų236.1 Ų36.11%0.00918%0.181CC..Hα-helixtrans-58.5-46.9171.7-172.3-83000111.5H36 Y37 C155 Q156 P157 L161 G162 V163 R210 A214H36-F159 HydrophobicContact CB-CZ 4.31Å; H36-F159 WeakPolarHBondContact O-CZ 3.49Å; Y37-F159 AromaticContact CD2-CE1 3.95Å; Y37-F159 HydrophobicContact CD2-CE1 3.95Å; Y37-F159 HydrophobicContact CD2-CZ 4.28Å; Y37-F159 HydrophobicContact CE2-CE1 4.37Å; Y37-F159 HydrophobicContact CG-CE1 4.08Å; C155-F159 PolarHBondContact O-N 3.04Å; Q156-F159 WeakPolarHBondContact O-CB 3.34Å; Q156-F159 PolarHBondContact O-N 3.33Å; P157-F159 VanDerWaalsContact C-N 3.33Å; P157-F159 PolarHBondContact O-N 2.88Å; F159-L161 VanDerWaalsContact C-N 3.3Å; F159-L161 PolarHBondContact O-N 3.08Å; F159-G162 WeakPolarHBondContact O-CA 3.15Å; F159-G162 PolarHBondContact O-N 2.73Å; F159-G162 VanDerWaalsContact O-N 3.09Å; F159-V163 HydrophobicContact CD1-CG2 4.11Å; F159-V163 HydrophobicContact CE1-CG2 3.9Å; F159-V163 PolarHBondContact O-N 2.84Å; F159-R210 HydrophobicContact CD2-CB 4.48Å; F159-A214 HydrophobicContact CD1-CB 3.87Å; F159-A214 HydrophobicContact CD2-CB 3.61Å; F159-A214 HydrophobicContact CE1-CB 3.8Å; F159-A214 HydrophobicContact CE2-CB 3.55Å; F159-A214 HydrophobicContact CG-CB 3.76Å; F159-A214 HydrophobicContact CZ-CB 3.65Å; F159-A214 WeakPolarHBondContact O-CB 3.45Å
160M92.2Very high90.9Very high0 Ų034.5 Ų34.50%017%0.173CC..Hα-helixtrans-65.8-30.3178.4-67.2-65.5171.400113.2Y37 Q156 P157 T158 V163 L164 Y382 S498 I499Y37-M160 HydrophobicContact CD1-CE 4.26Å; Q156-M160 WeakPolarHBondContact O-CG 3.27Å; Q156-M160 PolarHBondContact O-N 3.34Å; P157-M160 PolarHBondContact O-N 3.46Å; T158-M160 PolarHBondContact O-N 3.5Å; M160-V163 WeakPolarHBondContact O-CB 3.16Å; M160-V163 PolarHBondContact O-N 3.43Å; M160-L164 PolarHBondContact O-N 2.85Å; M160-L164 VanDerWaalsContact O-N 3.13Å; M160-Y382 HydrophobicContact CE-CD1 3.85Å; M160-Y382 HydrophobicContact CE-CE1 3.6Å; M160-Y382 HydrophobicContact SD-CE1 4.41Å; M160-S498 WeakPolarHBondContact CG-O 3.49Å; M160-I499 HydrophobicContact CB-CB 4.39Å; M160-I499 HydrophobicContact CB-CG1 3.77Å
161L93.8Very high90.6Very high78 Ų7828 Ų2841%0.40815%0.154SC..Hα-helixtrans-65.4-42.4170.7-177.264.8000111.2P157 T158 F159 V163 L164 V165 F211 I499P157-L161 PolarHBondContact O-N 2.67Å; T158-L161 WeakPolarHBondContact O-CB 3.21Å; T158-L161 PolarHBondContact O-N 3Å; F159-L161 VanDerWaalsContact C-N 3.3Å; F159-L161 PolarHBondContact O-N 3.08Å; L161-V163 VanDerWaalsContact C-N 3.26Å; L161-V163 PolarHBondContact O-N 2.92Å; L161-L164 HydrophobicContact CD1-CD2 4.43Å; L161-L164 WeakPolarHBondContact O-CB 3.37Å; L161-L164 PolarHBondContact O-N 3.34Å; L161-L164 VanDerWaalsContact O-N 3.16Å; L161-V165 WeakPolarHBondContact O-CG2 3.42Å; L161-V165 PolarHBondContact O-N 3.47Å; L161-F211 HydrophobicContact CB-CE2 4.3Å; L161-F211 HydrophobicContact CD2-CE2 4.29Å; L161-F211 HydrophobicContact CG-CE2 4.07Å; L161-I499 HydrophobicContact CB-CD1 4.43Å; L161-I499 HydrophobicContact CD1-CD1 4.03Å
162G93.9Very high90.4Very high0 Ų030.8 Ų30.80%017%0.169CC..Hα-helixtrans-59.6-38.417300000112.1T158 F159 L164 V165 G166 F211 M215T158-G162 PolarHBondContact O-N 2.88Å; F159-G162 WeakPolarHBondContact O-CA 3.15Å; F159-G162 PolarHBondContact O-N 2.73Å; F159-G162 VanDerWaalsContact O-N 3.09Å; G162-L164 PolarHBondContact O-N 3.32Å; G162-V165 PolarHBondContact O-N 3.1Å; G162-G166 PolarHBondContact O-N 2.94Å; G162-F211 VanDerWaalsContact N-CE2 3.32Å; G162-M215 WeakPolarHBondContact O-CA 3.36Å; G162-M215 WeakPolarHBondContact O-CG 3.41Å
163V91.8Very high90.4Very high0 Ų033.3 Ų33.30%018%0.181CC..Hα-helixtrans-58.6-45.1173.3164.90000112.2Y37 F159 M160 L161 A167 A214 S218 R495Y37-V163 HydrophobicContact CE1-CB 4.47Å; Y37-V163 HydrophobicContact CE1-CG1 3.99Å; Y37-V163 HydrophobicContact CE1-CG2 3.68Å; Y37-V163 HydrophobicContact CE2-CG2 3.95Å; Y37-V163 WeakPolarHBondContact OH-CG1 3.36Å; Y37-V163 VanDerWaalsContact OH-CG2 3.28Å; Y37-V163 WeakPolarHBondContact OH-CG2 3.22Å; F159-V163 HydrophobicContact CD1-CG2 4.11Å; F159-V163 HydrophobicContact CE1-CG2 3.9Å; F159-V163 PolarHBondContact O-N 2.84Å; M160-V163 WeakPolarHBondContact O-CB 3.16Å; M160-V163 PolarHBondContact O-N 3.43Å; L161-V163 VanDerWaalsContact C-N 3.26Å; L161-V163 PolarHBondContact O-N 2.92Å; V163-A167 WeakPolarHBondContact O-CB 3.35Å; V163-A167 PolarHBondContact O-N 3.36Å; V163-A167 VanDerWaalsContact O-N 3.07Å; V163-A214 HydrophobicContact CG2-CB 4.07Å; V163-S218 VanDerWaalsContact O-CB 3.25Å; V163-S218 WeakPolarHBondContact O-CB 3.49Å; V163-S218 PolarHBondContact O-OG 3.46Å; V163-R495 VanDerWaalsContact CG1-NH1 3.31Å
164L91.4Very high90.3Very high30 Ų3031 Ų3116%0.15717%0.172CC..Hα-helixtrans-61.7-50.7177.4170.663.3000111.1M160 L161 G162 G166 A167 L168 R495 I499M160-L164 PolarHBondContact O-N 2.85Å; M160-L164 VanDerWaalsContact O-N 3.13Å; L161-L164 HydrophobicContact CD1-CD2 4.43Å; L161-L164 WeakPolarHBondContact O-CB 3.37Å; L161-L164 PolarHBondContact O-N 3.34Å; L161-L164 VanDerWaalsContact O-N 3.16Å; G162-L164 PolarHBondContact O-N 3.32Å; L164-G166 VanDerWaalsContact C-N 3.34Å; L164-G166 PolarHBondContact O-N 3.43Å; L164-A167 PolarHBondContact O-N 2.83Å; L164-L168 HydrophobicContact CD1-CD1 4.12Å; L164-L168 HydrophobicContact CD1-CG 4.46Å; L164-L168 HydrophobicContact CG-CD1 4.44Å; L164-L168 PolarHBondContact O-N 3.36Å; L164-R495 HydrophobicContact CB-CB 4.14Å; L164-R495 HydrophobicContact CD1-CB 3.66Å; L164-R495 HydrophobicContact CD1-CG 4.06Å; L164-R495 HydrophobicContact CG-CB 4.41Å; L164-I499 HydrophobicContact CB-CD1 4.29Å; L164-I499 HydrophobicContact CD2-CD1 3.93Å
165V93.2Very high90.1Very high47 Ų4732.2 Ų32.229%0.28518%0.179SC..Hα-helixtrans-62-43.2-179.2175.30000111L161 G162 A167 L168 L169 F211 M215L161-V165 WeakPolarHBondContact O-CG2 3.42Å; L161-V165 PolarHBondContact O-N 3.47Å; G162-V165 PolarHBondContact O-N 3.1Å; V165-A167 PolarHBondContact O-N 3.26Å; V165-L168 PolarHBondContact O-N 2.91Å; V165-L169 HydrophobicContact CG1-CD1 3.57Å; V165-L169 HydrophobicContact CG1-CG 4.19Å; V165-L169 WeakPolarHBondContact O-CB 3.35Å; V165-L169 WeakPolarHBondContact O-CG 3.47Å; V165-L169 PolarHBondContact O-N 3.41Å; V165-F211 HydrophobicContact CB-CZ 4.48Å; V165-F211 HydrophobicContact CG2-CZ 4.29Å; V165-M215 HydrophobicContact CB-CG 4.36Å; V165-M215 HydrophobicContact CG1-CE 3.99Å; V165-M215 HydrophobicContact CG1-CG 4.41Å; V165-M215 HydrophobicContact CG1-SD 4.15Å
166G91Very high89.8Confident0 Ų039.3 Ų39.30%020%0.204CC..Hα-helixtrans-61.4-42.3177.700000113.3G162 L164 L168 F170 M215G162-G166 PolarHBondContact O-N 2.94Å; L164-G166 VanDerWaalsContact C-N 3.34Å; L164-G166 PolarHBondContact O-N 3.43Å; G166-L168 VanDerWaalsContact C-N 3.34Å; G166-L168 PolarHBondContact O-N 3.38Å; G166-F170 WeakPolarHBondContact O-CB 3.27Å; G166-F170 WeakPolarHBondContact O-CD2 3.49Å; G166-F170 PolarHBondContact O-N 3.31Å; G166-M215 WeakPolarHBondContact CA-O 3.42Å
167A87.8Confident89.7Confident19 Ų1942.8 Ų42.816%0.15722%0.222CC..Hα-helixtrans-62.4-40.7178.400000112.3V163 L164 V165 G171 V222V163-A167 WeakPolarHBondContact O-CB 3.35Å; V163-A167 PolarHBondContact O-N 3.36Å; V163-A167 VanDerWaalsContact O-N 3.07Å; L164-A167 PolarHBondContact O-N 2.83Å; V165-A167 PolarHBondContact O-N 3.26Å; A167-G171 PolarHBondContact O-N 2.92Å; A167-V222 HydrophobicContact CB-CG2 3.91Å
168L87.7Confident89.4Confident93 Ų9342.6 Ų42.649%0.48722%0.221SC..Hα-helixtrans-72.1-46.4-179.6-66.7174.1000112.1L164 V165 G166 M492L164-L168 HydrophobicContact CD1-CD1 4.12Å; L164-L168 HydrophobicContact CD1-CG 4.46Å; L164-L168 HydrophobicContact CG-CD1 4.44Å; L164-L168 PolarHBondContact O-N 3.36Å; V165-L168 PolarHBondContact O-N 2.91Å; G166-L168 VanDerWaalsContact C-N 3.34Å; G166-L168 PolarHBondContact O-N 3.38Å; L168-M492 HydrophobicContact CD2-CG 4.24Å; L168-M492 HydrophobicContact CD2-SD 4.05Å
169L90.8Very high89.1Confident85 Ų8542.4 Ų42.445%0.44522%0.217SC..Hα-helixtrans-70.9-53.6-176.6-68.2176.9000111.9V165 G171 D172 I173 M215V165-L169 HydrophobicContact CG1-CD1 3.57Å; V165-L169 HydrophobicContact CG1-CG 4.19Å; V165-L169 WeakPolarHBondContact O-CB 3.35Å; V165-L169 WeakPolarHBondContact O-CG 3.47Å; V165-L169 PolarHBondContact O-N 3.41Å; L169-G171 VanDerWaalsContact C-N 3.29Å; L169-G171 PolarHBondContact O-N 2.85Å; L169-D172 PolarHBondContact O-N 3.3Å; L169-I173 HydrophobicContact CB-CD1 4.45Å; L169-I173 WeakPolarHBondContact O-CB 3.11Å; L169-I173 WeakPolarHBondContact O-CD1 3.44Å; L169-I173 WeakPolarHBondContact O-CG1 3.35Å; L169-I173 PolarHBondContact O-N 3.05Å; L169-M215 HydrophobicContact CD1-CE 3.95Å
170F88.8Confident89Confident38 Ų3842.8 Ų42.817%0.16722%0.22CC..Hα-helixtrans-74-21.9-173.9-70.4-68.4000113G166 A174 I182 T186 M215G166-F170 WeakPolarHBondContact O-CB 3.27Å; G166-F170 WeakPolarHBondContact O-CD2 3.49Å; G166-F170 PolarHBondContact O-N 3.31Å; F170-A174 WeakPolarHBondContact O-CB 3.4Å; F170-A174 PolarHBondContact O-N 3.45Å; F170-I182 HydrophobicContact CB-CG2 4.22Å; F170-I182 HydrophobicContact CD1-CG2 3.8Å; F170-I182 HydrophobicContact CG-CG2 4.4Å; F170-T186 HydrophobicContact CD1-CG2 3.79Å; F170-T186 HydrophobicContact CD2-CG2 4.29Å; F170-T186 HydrophobicContact CE1-CG2 3.85Å; F170-T186 HydrophobicContact CE2-CG2 4.35Å; F170-T186 HydrophobicContact CG-CG2 4.02Å; F170-T186 HydrophobicContact CZ-CG2 4.14Å; F170-M215 HydrophobicContact CE2-CB 4.45Å
171G83.3Confident88.9Confident17 Ų1747.9 Ų47.918%0.17524%0.242CC..Hα-helixtrans-60.6-58.1169.300000112A167 L169 I173 A174 D175A167-G171 PolarHBondContact O-N 2.92Å; L169-G171 VanDerWaalsContact C-N 3.29Å; L169-G171 PolarHBondContact O-N 2.85Å; G171-I173 PolarHBondContact O-N 3.44Å; G171-A174 PolarHBondContact O-N 3.38Å; G171-D175 PolarHBondContact O-N 3.03Å
172D84.9Confident88.8Confident76 Ų7644.4 Ų44.441%0.40622%0.224SC..Hα-helixtrans-63.8-40.1179.4175.265.9000112.1L169 A174 D175 R176L169-D172 PolarHBondContact O-N 3.3Å; D172-A174 PolarHBondContact O-N 2.86Å; D172-D175 PolarHBondContact O-N 3.2Å; D172-R176 WeakPolarHBondContact O-CG 3.45Å; D172-R176 PolarHBondContact O-N 3.43Å; D172-R176 IonicContact OD1-CZ 3.18Å; D172-R176 IonicContact OD1-NE 3.38Å; D172-R176 PolarHBondContact OD1-NE 2.85Å; D172-R176 VanDerWaalsContact OD1-NE 3.14Å; D172-R176 IonicContact OD1-NH2 3.52Å; D172-R176 PolarHBondContact OD1-NH2 3.49Å; D172-R176 IonicContact OD2-CZ 2.74Å; D172-R176 IonicContact OD2-NE 2.86Å; D172-R176 PolarHBondContact OD2-NE 3.29Å; D172-R176 VanDerWaalsContact OD2-NE 3.1Å; D172-R176 IonicContact OD2-NH2 3.54Å; D172-R176 PolarHBondContact OD2-NH2 3.01Å
173I89.1Confident88.6Confident55 Ų5544.7 Ų44.728%0.28223%0.225SC..Hα-helixtrans-65.8-39179.8-65.2168.6000111.2L169 G171 D175 R176 I177 I182L169-I173 HydrophobicContact CB-CD1 4.45Å; L169-I173 WeakPolarHBondContact O-CB 3.11Å; L169-I173 WeakPolarHBondContact O-CD1 3.44Å; L169-I173 WeakPolarHBondContact O-CG1 3.35Å; L169-I173 PolarHBondContact O-N 3.05Å; G171-I173 PolarHBondContact O-N 3.44Å; I173-D175 VanDerWaalsContact C-N 3.3Å; I173-D175 PolarHBondContact O-N 2.64Å; I173-R176 PolarHBondContact O-N 3.23Å; I173-R176 VanDerWaalsContact O-N 3.15Å; I173-I177 HydrophobicContact CG2-CD1 3.49Å; I173-I177 VanDerWaalsContact CG2-CD1 3.49Å; I173-I177 HydrophobicContact CG2-CG1 4.01Å; I173-I177 WeakPolarHBondContact O-CB 3.44Å; I173-I177 PolarHBondContact O-N 3.39Å; I173-I182 HydrophobicContact CG2-CD1 3.52Å; I173-I182 HydrophobicContact CG2-CG1 4.1Å
174A87.1Confident88.5Confident3 Ų347.6 Ų47.63%0.02524%0.239CC..Hα-helixtrans-64.4-34.417900000112.7F170 G171 D172 R176 G178 I182 V223F170-A174 WeakPolarHBondContact O-CB 3.4Å; F170-A174 PolarHBondContact O-N 3.45Å; G171-A174 PolarHBondContact O-N 3.38Å; D172-A174 PolarHBondContact O-N 2.86Å; A174-R176 VanDerWaalsContact C-N 3.3Å; A174-R176 PolarHBondContact O-N 2.99Å; A174-G178 CarbonylContact O-C 3.56Å; A174-G178 VanDerWaalsContact O-C 3.24Å; A174-G178 WeakPolarHBondContact O-CA 3.34Å; A174-G178 PolarHBondContact O-N 2.98Å; A174-I182 HydrophobicContact CB-CB 4.16Å; A174-I182 HydrophobicContact CB-CG1 4.09Å; A174-I182 HydrophobicContact CB-CG2 4.32Å; A174-V223 HydrophobicContact CB-CB 4.42Å; A174-V223 HydrophobicContact CB-CG1 3.98Å; A174-V223 HydrophobicContact CB-CG2 3.5Å; A174-V223 VanDerWaalsContact CB-CG2 3.5Å
175D84.6Confident88.6Confident85 Ų8550.4 Ų50.446%0.45525%0.253SS..Hα-helixtrans-69.8-28.6175.5-69.6-21.4000112.5G171 D172 I173 R179G171-D175 PolarHBondContact O-N 3.03Å; D172-D175 PolarHBondContact O-N 3.2Å; I173-D175 VanDerWaalsContact C-N 3.3Å; I173-D175 PolarHBondContact O-N 2.64Å; D175-R179 IonicContact OD1-CZ 2.6Å; D175-R179 IonicContact OD1-NE 3.08Å; D175-R179 IonicContact OD1-NH2 2.92Å; D175-R179 PolarHBondContact OD1-NH2 3.45Å
176R85.5Confident88.5Confident157 Ų15748.2 Ų48.259%0.59224%0.24SC*.Hα-helixtrans-83.7-51.7178.5-64.4178.2-166.8-153.27.1112.7D172 I173 A174 Y292 K296D172-R176 WeakPolarHBondContact O-CG 3.45Å; D172-R176 PolarHBondContact O-N 3.43Å; D172-R176 IonicContact OD1-CZ 3.18Å; D172-R176 IonicContact OD1-NE 3.38Å; D172-R176 PolarHBondContact OD1-NE 2.85Å; D172-R176 VanDerWaalsContact OD1-NE 3.14Å; D172-R176 IonicContact OD1-NH2 3.52Å; D172-R176 PolarHBondContact OD1-NH2 3.49Å; D172-R176 IonicContact OD2-CZ 2.74Å; D172-R176 IonicContact OD2-NE 2.86Å; D172-R176 PolarHBondContact OD2-NE 3.29Å; D172-R176 VanDerWaalsContact OD2-NE 3.1Å; D172-R176 IonicContact OD2-NH2 3.54Å; D172-R176 PolarHBondContact OD2-NH2 3.01Å; I173-R176 PolarHBondContact O-N 3.23Å; I173-R176 VanDerWaalsContact O-N 3.15Å; A174-R176 VanDerWaalsContact C-N 3.3Å; A174-R176 PolarHBondContact O-N 2.99Å; R176-Y292 PolarHBondContact O-OH 3.49Å; R176-K296 PolarHBondContact O-NZ 3.38Å
177I88.2Confident88.5Confident80 Ų8048.2 Ų48.241%0.4124%0.24SC..Hα-helixtrans-88.9-25.4-168.2-60.1-173.8000112.6I173 K181 I182 Y292I173-I177 HydrophobicContact CG2-CD1 3.49Å; I173-I177 VanDerWaalsContact CG2-CD1 3.49Å; I173-I177 HydrophobicContact CG2-CG1 4.01Å; I173-I177 WeakPolarHBondContact O-CB 3.44Å; I173-I177 PolarHBondContact O-N 3.39Å; I177-K181 HydrophobicContact CG2-CB 4.22Å; I177-K181 HydrophobicContact CG2-CD 3.89Å; I177-I182 HydrophobicContact CB-CD1 4.46Å; I177-I182 HydrophobicContact CD1-CD1 4.48Å; I177-I182 HydrophobicContact CG2-CD1 4.48Å; I177-Y292 VanDerWaalsContact C-OH 3.22Å; I177-Y292 PolarHBondContact O-OH 3.36Å
178G85.5Confident88.7Confident0 Ų052.1 Ų52.10%026%0.258CS..  trans114.8150-172.300000111.5A174 I182 E288 Y292A174-G178 CarbonylContact O-C 3.56Å; A174-G178 VanDerWaalsContact O-C 3.24Å; A174-G178 WeakPolarHBondContact O-CA 3.34Å; A174-G178 PolarHBondContact O-N 2.98Å; G178-I182 WeakPolarHBondContact O-CG1 3.33Å; G178-E288 WeakPolarHBondContact CA-OE2 3.5Å; G178-Y292 VanDerWaalsContact CA-CZ 3.48Å; G178-Y292 PolarHBondContact N-OH 3.49Å
179R88.2Confident89Confident25 Ų2550.2 Ų50.29%0.09425%0.252CS..Hα-helixtrans-77.3-43.6-170.4-71.280.7-161.9-1422.1110.4D175 K181 I182 L183 V223 Y227 E230 E288 Y292D175-R179 IonicContact OD1-CZ 2.6Å; D175-R179 IonicContact OD1-NE 3.08Å; D175-R179 IonicContact OD1-NH2 2.92Å; D175-R179 PolarHBondContact OD1-NH2 3.45Å; R179-K181 PolarHBondContact O-N 3.07Å; R179-I182 PolarHBondContact O-N 2.85Å; R179-L183 WeakPolarHBondContact O-CG 3.21Å; R179-L183 PolarHBondContact O-N 3.48Å; R179-V223 HydrophobicContact CB-CG1 3.96Å; R179-V223 HydrophobicContact CG-CG1 4.25Å; R179-V223 WeakPolarHBondContact O-CG1 3.47Å; R179-Y227 HydrophobicContact CB-CD2 4.17Å; R179-E230 IonicContact CZ-OE1 3.61Å; R179-E230 IonicContact NH1-OE1 2.64Å; R179-E230 PolarHBondContact NH1-OE1 3.42Å; R179-E230 VanDerWaalsContact NH1-OE1 3.16Å; R179-E230 IonicContact NH1-OE2 2.61Å; R179-E230 PolarHBondContact NH1-OE2 3.21Å; R179-E230 IonicContact NH2-OE1 3.27Å; R179-E288 WeakPolarHBondContact CA-OE1 3.5Å; R179-E288 WeakPolarHBondContact CB-OE1 3.47Å; R179-E288 PolarHBondContact N-OE1 3.04Å; R179-E288 PolarHBondContact N-OE2 3.08Å; R179-Y292 VanDerWaalsContact NH1-CB 3.3Å
180V89.5Confident89.1Confident11 Ų1146.1 Ų46.17%0.06723%0.23CC..Hα-helixtrans-64.1-43.7-178175.40000112.1I182 L183 M184 Y227 F286 P287 E288V180-I182 VanDerWaalsContact C-N 3.29Å; V180-I182 PolarHBondContact O-N 3.47Å; V180-L183 WeakPolarHBondContact O-CB 3.49Å; V180-L183 PolarHBondContact O-N 3.32Å; V180-M184 HydrophobicContact CG1-CE 4.38Å; V180-M184 HydrophobicContact CG1-CG 4.31Å; V180-M184 HydrophobicContact CG1-SD 4.33Å; V180-M184 WeakPolarHBondContact O-CG 3.44Å; V180-M184 PolarHBondContact O-N 3.47Å; V180-Y227 HydrophobicContact CG2-CD2 4.3Å; V180-Y227 HydrophobicContact CG2-CE2 3.56Å; V180-F286 HydrophobicContact CG1-CB 3.9Å; V180-F286 HydrophobicContact CG2-CB 4.15Å; V180-P287 WeakPolarHBondContact CG2-O 3.22Å; V180-E288 PolarHBondContact N-OE1 3.34Å; V180-E288 PolarHBondContact N-OE2 3.26Å
181K90.2Very high89.3Confident107 Ų10747.2 Ų47.247%0.46524%0.235SC..Hα-helixtrans-58.5-43.6179.3-68.5179.3-175.6170.80111.6I177 R179 M184 I185I177-K181 HydrophobicContact CG2-CB 4.22Å; I177-K181 HydrophobicContact CG2-CD 3.89Å; R179-K181 PolarHBondContact O-N 3.07Å; K181-M184 PolarHBondContact O-N 2.96Å; K181-I185 VanDerWaalsContact O-CG1 3.29Å; K181-I185 WeakPolarHBondContact O-CG1 3.31Å; K181-I185 PolarHBondContact O-N 3.45Å
182I91.8Very high89.7Confident5 Ų548.9 Ų48.93%0.02625%0.247CC..Hα-helixtrans-70.3-38.7177.9-60.6-52000111.6F170 I173 A174 I177 G178 R179 V180 M184 I185 T186 V223F170-I182 HydrophobicContact CB-CG2 4.22Å; F170-I182 HydrophobicContact CD1-CG2 3.8Å; F170-I182 HydrophobicContact CG-CG2 4.4Å; I173-I182 HydrophobicContact CG2-CD1 3.52Å; I173-I182 HydrophobicContact CG2-CG1 4.1Å; A174-I182 HydrophobicContact CB-CB 4.16Å; A174-I182 HydrophobicContact CB-CG1 4.09Å; A174-I182 HydrophobicContact CB-CG2 4.32Å; I177-I182 HydrophobicContact CB-CD1 4.46Å; I177-I182 HydrophobicContact CD1-CD1 4.48Å; I177-I182 HydrophobicContact CG2-CD1 4.48Å; G178-I182 WeakPolarHBondContact O-CG1 3.33Å; R179-I182 PolarHBondContact O-N 2.85Å; V180-I182 VanDerWaalsContact C-N 3.29Å; V180-I182 PolarHBondContact O-N 3.47Å; I182-M184 VanDerWaalsContact C-N 3.31Å; I182-M184 PolarHBondContact O-N 2.95Å; I182-I185 HydrophobicContact CD1-CD1 4.42Å; I182-I185 PolarHBondContact O-N 2.93Å; I182-T186 HydrophobicContact CG2-CG2 3.91Å; I182-T186 VanDerWaalsContact O-CB 3.32Å; I182-T186 WeakPolarHBondContact O-CB 3.18Å; I182-T186 VanDerWaalsContact O-CG2 3.28Å; I182-T186 WeakPolarHBondContact O-CG2 3.49Å; I182-T186 PolarHBondContact O-N 3.27Å; I182-T186 PolarHBondContact O-OG1 2.79Å; I182-V223 HydrophobicContact CG2-CG2 3.96Å
183L89.9Confident90.2Very high5 Ų546.8 Ų46.83%0.02624%0.236CC..Hα-helixtrans-57.9-42.2172-70.9170.1000112.4R179 V180 T186 S187 Y220 V223 V224 Y227R179-L183 WeakPolarHBondContact O-CG 3.21Å; R179-L183 PolarHBondContact O-N 3.48Å; V180-L183 WeakPolarHBondContact O-CB 3.49Å; V180-L183 PolarHBondContact O-N 3.32Å; L183-T186 WeakPolarHBondContact CA-OG1 3.4Å; L183-T186 PolarHBondContact O-OG1 3.21Å; L183-S187 VanDerWaalsContact O-CB 3.3Å; L183-S187 WeakPolarHBondContact O-CB 3.38Å; L183-S187 PolarHBondContact O-N 3.01Å; L183-S187 PolarHBondContact O-OG 3.11Å; L183-Y220 HydrophobicContact CB-CE2 4.29Å; L183-Y220 HydrophobicContact CD2-CD2 3.6Å; L183-Y220 HydrophobicContact CD2-CE2 3.44Å; L183-Y220 VanDerWaalsContact CD2-CE2 3.44Å; L183-Y220 HydrophobicContact CD2-CG 4.34Å; L183-Y220 HydrophobicContact CG-CE2 4.44Å; L183-V223 HydrophobicContact CD1-CG1 4.26Å; L183-V223 HydrophobicContact CD2-CB 3.89Å; L183-V223 HydrophobicContact CD2-CG1 3.81Å; L183-V223 HydrophobicContact CG-CB 4.28Å; L183-V223 HydrophobicContact CG-CG1 3.65Å; L183-V224 HydrophobicContact CD2-CB 3.86Å; L183-V224 HydrophobicContact CD2-CG2 4.49Å; L183-Y227 HydrophobicContact CD1-CD1 4.41Å; L183-Y227 HydrophobicContact CD1-CD2 4Å; L183-Y227 HydrophobicContact CD1-CG 3.88Å
184M90.4Very high90.4Very high61 Ų6144.1 Ų44.130%0.322%0.222SC..Hα-helixtrans-67.7-47.4177.3-67.4-170.6-54.300112.2V180 K181 I182 S187 L188 C283V180-M184 HydrophobicContact CG1-CE 4.38Å; V180-M184 HydrophobicContact CG1-CG 4.31Å; V180-M184 HydrophobicContact CG1-SD 4.33Å; V180-M184 WeakPolarHBondContact O-CG 3.44Å; V180-M184 PolarHBondContact O-N 3.47Å; K181-M184 PolarHBondContact O-N 2.96Å; I182-M184 VanDerWaalsContact C-N 3.31Å; I182-M184 PolarHBondContact O-N 2.95Å; M184-S187 WeakPolarHBondContact CA-OG 3.45Å; M184-S187 PolarHBondContact O-N 3.25Å; M184-S187 PolarHBondContact O-OG 3.15Å; M184-L188 WeakPolarHBondContact O-CB 3.08Å; M184-L188 PolarHBondContact O-N 3.31Å; M184-C283 HydrophobicContact CG-CB 4.15Å
185I92.2Very high90.7Very high89 Ų8945.9 Ų45.946%0.45623%0.232SC..Hα-helixtrans-63.1-47.4-180-69.4165.9000110.5K181 I182 L188 C189K181-I185 VanDerWaalsContact O-CG1 3.29Å; K181-I185 WeakPolarHBondContact O-CG1 3.31Å; K181-I185 PolarHBondContact O-N 3.45Å; I182-I185 HydrophobicContact CD1-CD1 4.42Å; I182-I185 PolarHBondContact O-N 2.93Å; I185-L188 PolarHBondContact O-N 3.26Å; I185-C189 WeakPolarHBondContact O-CB 3.36Å; I185-C189 PolarHBondContact O-N 3.08Å; I185-C189 PolarHBondContact O-SG 2.85Å
186T92.1Very high91.1Very high1 Ų143.4 Ų43.41%0.00622%0.224CC..Hα-helixtrans-64.2-41.9-179.651.50000112F170 I182 L183 C189 Q190F170-T186 HydrophobicContact CD1-CG2 3.79Å; F170-T186 HydrophobicContact CD2-CG2 4.29Å; F170-T186 HydrophobicContact CE1-CG2 3.85Å; F170-T186 HydrophobicContact CE2-CG2 4.35Å; F170-T186 HydrophobicContact CG-CG2 4.02Å; F170-T186 HydrophobicContact CZ-CG2 4.14Å; I182-T186 HydrophobicContact CG2-CG2 3.91Å; I182-T186 VanDerWaalsContact O-CB 3.32Å; I182-T186 WeakPolarHBondContact O-CB 3.18Å; I182-T186 VanDerWaalsContact O-CG2 3.28Å; I182-T186 WeakPolarHBondContact O-CG2 3.49Å; I182-T186 PolarHBondContact O-N 3.27Å; I182-T186 PolarHBondContact O-OG1 2.79Å; L183-T186 WeakPolarHBondContact CA-OG1 3.4Å; L183-T186 PolarHBondContact O-OG1 3.21Å; T186-C189 PolarHBondContact O-N 2.69Å; T186-Q190 VanDerWaalsContact O-CB 3.22Å; T186-Q190 WeakPolarHBondContact O-CB 3.44Å; T186-Q190 PolarHBondContact O-N 3.16Å
187S91.3Very high91.5Very high0 Ų036 Ų360%020%0.196CC..Hα-helixtrans-65.6-41.6176550000112.9L183 M184 Q190 F191L183-S187 VanDerWaalsContact O-CB 3.3Å; L183-S187 WeakPolarHBondContact O-CB 3.38Å; L183-S187 PolarHBondContact O-N 3.01Å; L183-S187 PolarHBondContact O-OG 3.11Å; M184-S187 WeakPolarHBondContact CA-OG 3.45Å; M184-S187 PolarHBondContact O-N 3.25Å; M184-S187 PolarHBondContact O-OG 3.15Å; S187-Q190 PolarHBondContact O-N 2.79Å; S187-F191 PolarHBondContact O-N 3.1Å
188L92.7Very high91.6Very high102 Ų10232.5 Ų32.553%0.53418%0.18SC..Hα-helixtrans-63-47.4175179.163.6000111.4M184 I185 Q190 F191 A192 L280M184-L188 WeakPolarHBondContact O-CB 3.08Å; M184-L188 PolarHBondContact O-N 3.31Å; I185-L188 PolarHBondContact O-N 3.26Å; L188-Q190 VanDerWaalsContact C-N 3.29Å; L188-Q190 PolarHBondContact O-N 2.92Å; L188-F191 PolarHBondContact O-N 3.47Å; L188-A192 WeakPolarHBondContact O-CB 3.27Å; L188-A192 PolarHBondContact O-N 3.29Å; L188-L280 HydrophobicContact CB-CD2 4.43Å
189C93.1Very high91.9Very high52 Ų5239 Ų3935%0.35121%0.208SC..Hα-helixtrans-59.4-42175.6-74.50000111.2I185 T186 A192 L193 A216I185-C189 WeakPolarHBondContact O-CB 3.36Å; I185-C189 PolarHBondContact O-N 3.08Å; I185-C189 PolarHBondContact O-SG 2.85Å; T186-C189 PolarHBondContact O-N 2.69Å; C189-A192 PolarHBondContact O-N 3.04Å; C189-L193 HydrophobicContact CB-CD1 4.34Å; C189-L193 WeakPolarHBondContact O-CB 3.45Å; C189-L193 WeakPolarHBondContact O-CD1 3.34Å; C189-L193 WeakPolarHBondContact O-CG 3.2Å; C189-L193 PolarHBondContact O-N 3.14Å; C189-A216 HydrophobicContact CB-CB 4.06Å
190Q92.4Very high92.1Very high0 Ų038.1 Ų38.10%021%0.205CC..Hα-helixtrans-62.5-44.1179.2-175175.5-37.100112S32 H36 T186 S187 L188 G194 L213 A216 S217S32-Q190 PolarHBondContact OG-NE2 3.14Å; H36-Q190 PolarHBondContact CD2-NE2 3.47Å; H36-Q190 VanDerWaalsContact CD2-NE2 3.35Å; T186-Q190 VanDerWaalsContact O-CB 3.22Å; T186-Q190 WeakPolarHBondContact O-CB 3.44Å; T186-Q190 PolarHBondContact O-N 3.16Å; S187-Q190 PolarHBondContact O-N 2.79Å; L188-Q190 VanDerWaalsContact C-N 3.29Å; L188-Q190 PolarHBondContact O-N 2.92Å; Q190-G194 WeakPolarHBondContact O-CA 3.32Å; Q190-G194 PolarHBondContact O-N 2.65Å; Q190-L213 HydrophobicContact CB-CD1 4.27Å; Q190-L213 HydrophobicContact CG-CD1 3.73Å; Q190-L213 WeakPolarHBondContact O-CD1 3.34Å; Q190-A216 HydrophobicContact CB-CB 4.36Å; Q190-S217 VanDerWaalsContact OE1-CA 3.31Å
191F92.4Very high92Very high60 Ų6044.8 Ų44.826%0.26324%0.24SC..Hα-helixtrans-65-50.4175176.8-102.8000112S187 L188 L193 G194 V195 S273 L280S187-F191 PolarHBondContact O-N 3.1Å; L188-F191 PolarHBondContact O-N 3.47Å; F191-L193 PolarHBondContact O-N 3.43Å; F191-G194 PolarHBondContact O-N 2.95Å; F191-V195 HydrophobicContact CE1-CG2 4.48Å; F191-V195 HydrophobicContact CE2-CG2 4.19Å; F191-V195 HydrophobicContact CZ-CG2 4.15Å; F191-V195 WeakPolarHBondContact O-CG2 3.46Å; F191-V195 PolarHBondContact O-N 2.98Å; F191-S273 WeakPolarHBondContact CD2-O 3.36Å; F191-L280 HydrophobicContact CB-CD1 3.67Å; F191-L280 HydrophobicContact CD1-CD1 3.88Å; F191-L280 HydrophobicContact CD2-CD1 4.31Å; F191-L280 HydrophobicContact CG-CD1 3.69Å
192A93.6Very high92Very high52 Ų5244.8 Ų44.843%0.4325%0.245SC..Hα-helixtrans-62.5-46.3-177.500000112.1L188 C189 V195 A196L188-A192 WeakPolarHBondContact O-CB 3.27Å; L188-A192 PolarHBondContact O-N 3.29Å; C189-A192 PolarHBondContact O-N 3.04Å; A192-V195 PolarHBondContact O-N 3.36Å; A192-A196 VanDerWaalsContact O-CB 3.31Å; A192-A196 WeakPolarHBondContact O-CB 3.16Å; A192-A196 PolarHBondContact O-N 2.85Å
193L94.7Very high92Very high32 Ų3245.4 Ų45.417%0.16825%0.247CC..Hα-helixtrans-68-37.6176.3-65.8167.7000111C189 F191 V195 A196 V197 L209 L212 L213C189-L193 HydrophobicContact CB-CD1 4.34Å; C189-L193 WeakPolarHBondContact O-CB 3.45Å; C189-L193 WeakPolarHBondContact O-CD1 3.34Å; C189-L193 WeakPolarHBondContact O-CG 3.2Å; C189-L193 PolarHBondContact O-N 3.14Å; F191-L193 PolarHBondContact O-N 3.43Å; L193-V195 VanDerWaalsContact C-N 3.34Å; L193-V195 PolarHBondContact O-N 3.45Å; L193-A196 PolarHBondContact O-N 3.34Å; L193-V197 VanDerWaalsContact O-CG2 3.23Å; L193-V197 WeakPolarHBondContact O-CG2 3.35Å; L193-V197 PolarHBondContact O-N 3.11Å; L193-L209 HydrophobicContact CD2-CD2 3.78Å; L193-L212 HydrophobicContact CD1-CB 3.73Å; L193-L212 HydrophobicContact CD2-CB 4.29Å; L193-L212 HydrophobicContact CD2-CD1 4.49Å; L193-L213 HydrophobicContact CB-CB 4.15Å; L193-L213 HydrophobicContact CB-CD1 4.16Å
194G92.2Very high92.1Very high0 Ų052.9 Ų52.90%028%0.276CS..Hα-helixtrans-56.6-46.7175.600000112.3Q190 F191 Q269 S273Q190-G194 WeakPolarHBondContact O-CA 3.32Å; Q190-G194 PolarHBondContact O-N 2.65Å; F191-G194 PolarHBondContact O-N 2.95Å; G194-Q269 VanDerWaalsContact O-CG 3.25Å; G194-Q269 WeakPolarHBondContact O-CG 3.28Å; G194-Q269 PolarHBondContact O-NE2 3.35Å; G194-Q269 VanDerWaalsContact O-NE2 3.11Å; G194-S273 WeakPolarHBondContact CA-OG 3.29Å; G194-S273 PolarHBondContact O-OG 3.27Å
195V93.3Very high92.3Very high39 Ų3955.3 Ų55.324%0.23629%0.285CS..Hα-helixtrans-69.5-43175176.20000111.2F191 A192 L193 V197 A198 F199F191-V195 HydrophobicContact CE1-CG2 4.48Å; F191-V195 HydrophobicContact CE2-CG2 4.19Å; F191-V195 HydrophobicContact CZ-CG2 4.15Å; F191-V195 WeakPolarHBondContact O-CG2 3.46Å; F191-V195 PolarHBondContact O-N 2.98Å; A192-V195 PolarHBondContact O-N 3.36Å; L193-V195 VanDerWaalsContact C-N 3.34Å; L193-V195 PolarHBondContact O-N 3.45Å; V195-V197 VanDerWaalsContact C-N 3.26Å; V195-V197 PolarHBondContact O-N 3.01Å; V195-A198 WeakPolarHBondContact O-CB 3.49Å; V195-A198 PolarHBondContact O-N 3.03Å; V195-F199 HydrophobicContact CG1-CD2 4.24Å; V195-F199 HydrophobicContact CG1-CE2 3.74Å; V195-F199 VanDerWaalsContact O-CD2 3.28Å; V195-F199 WeakPolarHBondContact O-CD2 3.41Å
196A94.2Very high92.3Very high34 Ų3451.1 Ų51.128%0.28126%0.264SS..Hα-helixtrans-60.1-35.217900000112.9A192 L193 A198 F199 S200 L209A192-A196 VanDerWaalsContact O-CB 3.31Å; A192-A196 WeakPolarHBondContact O-CB 3.16Å; A192-A196 PolarHBondContact O-N 2.85Å; L193-A196 PolarHBondContact O-N 3.34Å; A196-A198 PolarHBondContact O-N 3.32Å; A196-F199 PolarHBondContact O-N 3.29Å; A196-F199 VanDerWaalsContact O-N 3.11Å; A196-S200 PolarHBondContact O-N 3.11Å; A196-L209 HydrophobicContact CB-CD1 4.02Å; A196-L209 HydrophobicContact CB-CD2 4.36Å
197V93.3Very high92.4Very high0 Ų052.1 Ų52.10%027%0.27CS..Hα-helixtrans-59.1-34.4175167.40000111.6L193 V195 F199 S200 F206 L209 R210 L213 Q269L193-V197 VanDerWaalsContact O-CG2 3.23Å; L193-V197 WeakPolarHBondContact O-CG2 3.35Å; L193-V197 PolarHBondContact O-N 3.11Å; V195-V197 VanDerWaalsContact C-N 3.26Å; V195-V197 PolarHBondContact O-N 3.01Å; V197-F199 PolarHBondContact O-N 3.44Å; V197-S200 WeakPolarHBondContact O-CB 2.79Å; V197-S200 PolarHBondContact O-N 3.31Å; V197-S200 PolarHBondContact O-OG 2.76Å; V197-F206 HydrophobicContact CG1-CD2 3.76Å; V197-F206 HydrophobicContact CG1-CE2 3.5Å; V197-L209 HydrophobicContact CG2-CB 3.6Å; V197-L209 HydrophobicContact CG2-CD1 4.42Å; V197-R210 HydrophobicContact CG1-CG 4.35Å; V197-R210 HydrophobicContact CG2-CG 4.28Å; V197-L213 HydrophobicContact CG2-CD2 4.42Å; V197-Q269 HydrophobicContact CB-CG 4.11Å; V197-Q269 HydrophobicContact CG1-CG 3.86Å
198A91.5Very high92.6Very high8 Ų856 Ų567%0.06629%0.294CS..Hα-helixtrans-68.4-2417900000113.1V195 A196 W266 Q269 I270V195-A198 WeakPolarHBondContact O-CB 3.49Å; V195-A198 PolarHBondContact O-N 3.03Å; A196-A198 PolarHBondContact O-N 3.32Å; A198-W266 HydrophobicContact CB-CB 4.35Å; A198-W266 WeakPolarHBondContact CB-O 3.25Å; A198-W266 WeakPolarHBondContact O-CB 3.33Å; A198-Q269 HydrophobicContact CB-CB 4.1Å; A198-Q269 HydrophobicContact CB-CG 4.06Å; A198-I270 HydrophobicContact CB-CD1 4.02Å; A198-I270 HydrophobicContact CB-CG1 3.52Å
199F91.8Very high92.7Very high136 Ų13651.9 Ų51.960%0.59627%0.272SS*.THydrogen-bonded Turntrans-98.713.4179-62.4-75000112.8V195 A196 V197 L201 I270V195-F199 HydrophobicContact CG1-CD2 4.24Å; V195-F199 HydrophobicContact CG1-CE2 3.74Å; V195-F199 VanDerWaalsContact O-CD2 3.28Å; V195-F199 WeakPolarHBondContact O-CD2 3.41Å; A196-F199 PolarHBondContact O-N 3.29Å; A196-F199 VanDerWaalsContact O-N 3.11Å; V197-F199 PolarHBondContact O-N 3.44Å; F199-L201 PolarHBondContact O-N 2.66Å; F199-I270 HydrophobicContact CZ-CD1 4.42Å
200S91.3Very high92.7Very high6 Ų650 Ų504%0.04226%0.257CS..  trans-69.5122.7179.264.10000110.8A196 V197 F206A196-S200 PolarHBondContact O-N 3.11Å; V197-S200 WeakPolarHBondContact O-CB 2.79Å; V197-S200 PolarHBondContact O-N 3.31Å; V197-S200 PolarHBondContact O-OG 2.76Å; S200-F206 WeakPolarHBondContact OG-CD2 3.17Å
201L87.8Confident92.9Very high151 Ų15152.4 Ų52.479%0.79127%0.268SS*.  trans-93.8-13.7178.8-58.8176.2000113.3W142 F199W142-L201 PolarHBondContact NE1-O 3.35Å; F199-L201 PolarHBondContact O-N 2.66Å
202N90.5Very high93Very high107 Ų10752.9 Ų52.957%0.57227%0.273SS*.SBendtrans-132.6141.8-174.9-100.1-57.9000110.7Y204 F205 F206N202-Y204 PolarHBondContact O-N 3.38Å; N202-F205 HydrophobicContact CB-CB 4.23Å; N202-F205 PolarHBondContact O-N 3.35Å; N202-F206 WeakPolarHBondContact O-CB 3.24Å; N202-F206 PolarHBondContact O-N 3.08Å
203Y90.3Very high93.1Very high18 Ų1850.4 Ų50.47%0.07125%0.253CS..Hα-helixtrans-54.2-48.8177.4171.4-93.4000113W142 L144 L151 F205 F206 V207W142-Y203 AromaticContact CE3-CD2 3.86Å; W142-Y203 HydrophobicContact CE3-CD2 3.86Å; W142-Y203 HydrophobicContact CE3-CG 4.26Å; W142-Y203 HydrophobicContact CZ3-CD2 4.16Å; L144-Y203 HydrophobicContact CD1-CD2 3.7Å; L144-Y203 HydrophobicContact CD1-CE2 3.86Å; L144-Y203 HydrophobicContact CD2-CD2 4.11Å; L144-Y203 HydrophobicContact CD2-CE2 4.49Å; L151-Y203 HydrophobicContact CB-CE1 4.18Å; L151-Y203 HydrophobicContact CB-CE2 4.01Å; L151-Y203 HydrophobicContact CD2-CD1 4.43Å; L151-Y203 HydrophobicContact CD2-CE1 3.66Å; L151-Y203 HydrophobicContact CG-CE1 4.39Å; L151-Y203 PolarHBondContact O-OH 3.2Å; Y203-F205 VanDerWaalsContact C-N 3.33Å; Y203-F205 PolarHBondContact O-N 2.93Å; Y203-F206 WeakPolarHBondContact O-CB 3.46Å; Y203-F206 PolarHBondContact O-N 3.3Å; Y203-V207 HydrophobicContact CD1-CG2 4.33Å; Y203-V207 HydrophobicContact CD2-CG2 4.27Å; Y203-V207 HydrophobicContact CE1-CG2 3.77Å; Y203-V207 HydrophobicContact CE2-CG2 3.75Å; Y203-V207 VanDerWaalsContact CZ-CG2 3.46Å; Y203-V207 WeakPolarHBondContact O-CG2 3.49Å; Y203-V207 PolarHBondContact O-N 3.42Å
204Y92.9Very high93.1Very high162 Ų16248.9 Ų48.964%0.63525%0.245SC*.Hα-helixtrans-63.8-40.7-177.8-62.6-72000112.3N202 F206 V207 V208N202-Y204 PolarHBondContact O-N 3.38Å; Y204-F206 VanDerWaalsContact C-N 3.33Å; Y204-V207 PolarHBondContact O-N 3.14Å; Y204-V208 WeakPolarHBondContact O-CG2 3.23Å; Y204-V208 PolarHBondContact O-N 3.04Å
205F93.8Very high93.2Very high112 Ų11250.2 Ų50.249%0.49125%0.251SS..Hα-helixtrans-64.9-41.4177.2-174.8-118.3000111.1N202 Y203 V208 L209N202-F205 HydrophobicContact CB-CB 4.23Å; N202-F205 PolarHBondContact O-N 3.35Å; Y203-F205 VanDerWaalsContact C-N 3.33Å; Y203-F205 PolarHBondContact O-N 2.93Å; F205-V208 PolarHBondContact O-N 2.81Å; F205-L209 HydrophobicContact CD1-CD1 3.84Å; F205-L209 HydrophobicContact CD1-CG 4.49Å; F205-L209 HydrophobicContact CE1-CD1 3.42Å; F205-L209 VanDerWaalsContact CE1-CD1 3.42Å; F205-L209 HydrophobicContact CE1-CG 4.21Å; F205-L209 HydrophobicContact CE2-CD1 4.3Å; F205-L209 HydrophobicContact CE2-CD2 4.37Å; F205-L209 HydrophobicContact CE2-CG 4.22Å; F205-L209 HydrophobicContact CG-CD1 4.45Å; F205-L209 HydrophobicContact CZ-CD1 3.69Å; F205-L209 HydrophobicContact CZ-CD2 4.2Å; F205-L209 HydrophobicContact CZ-CG 4.07Å; F205-L209 WeakPolarHBondContact O-CG 3.5Å; F205-L209 PolarHBondContact O-N 3.26Å
206F92.9Very high93.2Very high1 Ų148.5 Ų48.50%0.00424%0.241CC..Hα-helixtrans-58.3-48.6173.8169.1-92.8000113I138 W142 V197 S200 N202 Y203 Y204 V208 L209 R210 W265I138-F206 HydrophobicContact CD1-CD2 4.45Å; I138-F206 HydrophobicContact CD1-CE1 3.72Å; I138-F206 HydrophobicContact CD1-CE2 3.48Å; I138-F206 VanDerWaalsContact CD1-CE2 3.48Å; I138-F206 HydrophobicContact CD1-CZ 3.05Å; I138-F206 HydrophobicContact CG1-CE2 4.22Å; I138-F206 HydrophobicContact CG1-CZ 4.12Å; I138-F206 HydrophobicContact CG2-CE1 4.49Å; W142-F206 HydrophobicContact CH2-CB 3.38Å; W142-F206 HydrophobicContact CH2-CD1 4.28Å; W142-F206 HydrophobicContact CH2-CD2 4.01Å; W142-F206 AromaticContact CH2-CG 3.64Å; W142-F206 HydrophobicContact CH2-CG 3.64Å; W142-F206 HydrophobicContact CZ2-CB 4.43Å; W142-F206 HydrophobicContact CZ3-CB 3.74Å; W142-F206 AromaticContact CZ3-CD1 3.89Å; W142-F206 HydrophobicContact CZ3-CD1 3.89Å; W142-F206 HydrophobicContact CZ3-CD2 4.34Å; W142-F206 AromaticContact CZ3-CG 3.73Å; W142-F206 HydrophobicContact CZ3-CG 3.73Å; V197-F206 HydrophobicContact CG1-CD2 3.76Å; V197-F206 HydrophobicContact CG1-CE2 3.5Å; S200-F206 WeakPolarHBondContact OG-CD2 3.17Å; N202-F206 WeakPolarHBondContact O-CB 3.24Å; N202-F206 PolarHBondContact O-N 3.08Å; Y203-F206 WeakPolarHBondContact O-CB 3.46Å; Y203-F206 PolarHBondContact O-N 3.3Å; Y204-F206 VanDerWaalsContact C-N 3.33Å; F206-V208 VanDerWaalsContact C-N 3.35Å; F206-V208 PolarHBondContact O-N 2.93Å; F206-L209 PolarHBondContact O-N 3.46Å; F206-R210 HydrophobicContact CD1-CG 4.44Å; F206-R210 HydrophobicContact CD2-CG 4.46Å; F206-R210 HydrophobicContact CE1-CG 3.95Å; F206-R210 HydrophobicContact CE2-CG 4Å; F206-R210 HydrophobicContact CZ-CG 3.7Å; F206-R210 WeakPolarHBondContact O-CB 3.34Å; F206-R210 WeakPolarHBondContact O-CG 3.43Å; F206-R210 PolarHBondContact O-N 2.9Å; F206-W265 HydrophobicContact CE2-CZ3 4.48Å
207V93.9Very high93.1Very high23 Ų2346.9 Ų46.914%0.13923%0.228CC..Hα-helixtrans-63.3-41.2179.8173.30000111.3T158 Y203 Y204 R210 F211T158-V207 HydrophobicContact CG2-CG1 3.67Å; Y203-V207 HydrophobicContact CD1-CG2 4.33Å; Y203-V207 HydrophobicContact CD2-CG2 4.27Å; Y203-V207 HydrophobicContact CE1-CG2 3.77Å; Y203-V207 HydrophobicContact CE2-CG2 3.75Å; Y203-V207 VanDerWaalsContact CZ-CG2 3.46Å; Y203-V207 WeakPolarHBondContact O-CG2 3.49Å; Y203-V207 PolarHBondContact O-N 3.42Å; Y204-V207 PolarHBondContact O-N 3.14Å; V207-R210 PolarHBondContact O-N 3.4Å; V207-F211 WeakPolarHBondContact O-CB 3.41Å; V207-F211 PolarHBondContact O-N 3.15Å
208V95.6Very high93Very high82 Ų8246.9 Ų46.950%0.49723%0.228SC..Hα-helixtrans-63.7-46.6176.7171.20000111.2Y204 F205 F206 R210 F211 L212Y204-V208 WeakPolarHBondContact O-CG2 3.23Å; Y204-V208 PolarHBondContact O-N 3.04Å; F205-V208 PolarHBondContact O-N 2.81Å; F206-V208 VanDerWaalsContact C-N 3.35Å; F206-V208 PolarHBondContact O-N 2.93Å; V208-R210 VanDerWaalsContact C-N 3.32Å; V208-R210 PolarHBondContact O-N 3.3Å; V208-F211 WeakPolarHBondContact O-CB 3.39Å; V208-F211 PolarHBondContact O-N 2.97Å; V208-L212 HydrophobicContact CG1-CD1 4.26Å; V208-L212 WeakPolarHBondContact O-CG 3.45Å; V208-L212 PolarHBondContact O-N 3.3Å
209L95.1Very high92.9Very high14 Ų1446.5 Ų46.57%0.07322%0.224CC..Hα-helixtrans-62.3-40.5177-71.9178000111.9L193 A196 V197 F205 F206 L212 L213L193-L209 HydrophobicContact CD2-CD2 3.78Å; A196-L209 HydrophobicContact CB-CD1 4.02Å; A196-L209 HydrophobicContact CB-CD2 4.36Å; V197-L209 HydrophobicContact CG2-CB 3.6Å; V197-L209 HydrophobicContact CG2-CD1 4.42Å; F205-L209 HydrophobicContact CD1-CD1 3.84Å; F205-L209 HydrophobicContact CD1-CG 4.49Å; F205-L209 HydrophobicContact CE1-CD1 3.42Å; F205-L209 VanDerWaalsContact CE1-CD1 3.42Å; F205-L209 HydrophobicContact CE1-CG 4.21Å; F205-L209 HydrophobicContact CE2-CD1 4.3Å; F205-L209 HydrophobicContact CE2-CD2 4.37Å; F205-L209 HydrophobicContact CE2-CG 4.22Å; F205-L209 HydrophobicContact CG-CD1 4.45Å; F205-L209 HydrophobicContact CZ-CD1 3.69Å; F205-L209 HydrophobicContact CZ-CD2 4.2Å; F205-L209 HydrophobicContact CZ-CG 4.07Å; F205-L209 WeakPolarHBondContact O-CG 3.5Å; F205-L209 PolarHBondContact O-N 3.26Å; F206-L209 PolarHBondContact O-N 3.46Å; L209-L212 PolarHBondContact O-N 2.96Å; L209-L213 VanDerWaalsContact O-CB 3.24Å; L209-L213 WeakPolarHBondContact O-CB 3.5Å; L209-L213 PolarHBondContact O-N 3.32Å
210R93.5Very high92.9Very high13 Ų1340.1 Ų40.15%0.04920%0.196CC..Hα-helixtrans-61.7-42.1174.1-83.8-82.6165.890.614.2112.3L43 F159 V197 F206 V207 V208 L213 A214L43-R210 VanDerWaalsContact CD1-NH1 3.33Å; F159-R210 HydrophobicContact CD2-CB 4.48Å; V197-R210 HydrophobicContact CG1-CG 4.35Å; V197-R210 HydrophobicContact CG2-CG 4.28Å; F206-R210 HydrophobicContact CD1-CG 4.44Å; F206-R210 HydrophobicContact CD2-CG 4.46Å; F206-R210 HydrophobicContact CE1-CG 3.95Å; F206-R210 HydrophobicContact CE2-CG 4Å; F206-R210 HydrophobicContact CZ-CG 3.7Å; F206-R210 WeakPolarHBondContact O-CB 3.34Å; F206-R210 WeakPolarHBondContact O-CG 3.43Å; F206-R210 PolarHBondContact O-N 2.9Å; V207-R210 PolarHBondContact O-N 3.4Å; V208-R210 VanDerWaalsContact C-N 3.32Å; V208-R210 PolarHBondContact O-N 3.3Å; R210-L213 WeakPolarHBondContact O-CB 3.48Å; R210-L213 PolarHBondContact O-N 2.96Å; R210-A214 WeakPolarHBondContact O-CB 3.24Å; R210-A214 PolarHBondContact O-N 3.26Å
211F95.6Very high92.8Very high51 Ų5141.4 Ų41.422%0.22420%0.203CC..Hα-helixtrans-61.4-47.4176176.6-93.6000111.5T158 L161 G162 V165 V207 V208 L213 A214 M215T158-F211 HydrophobicContact CG2-CB 4.39Å; T158-F211 HydrophobicContact CG2-CD2 4.07Å; T158-F211 WeakPolarHBondContact O-CD2 3.33Å; L161-F211 HydrophobicContact CB-CE2 4.3Å; L161-F211 HydrophobicContact CD2-CE2 4.29Å; L161-F211 HydrophobicContact CG-CE2 4.07Å; G162-F211 VanDerWaalsContact N-CE2 3.32Å; V165-F211 HydrophobicContact CB-CZ 4.48Å; V165-F211 HydrophobicContact CG2-CZ 4.29Å; V207-F211 WeakPolarHBondContact O-CB 3.41Å; V207-F211 PolarHBondContact O-N 3.15Å; V208-F211 WeakPolarHBondContact O-CB 3.39Å; V208-F211 PolarHBondContact O-N 2.97Å; F211-L213 VanDerWaalsContact C-N 3.35Å; F211-L213 PolarHBondContact O-N 3.22Å; F211-A214 WeakPolarHBondContact O-CB 3.34Å; F211-A214 PolarHBondContact O-N 3.46Å; F211-M215 HydrophobicContact CD1-CG 4.43Å; F211-M215 HydrophobicContact CD1-SD 3.75Å; F211-M215 HydrophobicContact CE1-CG 4.12Å; F211-M215 HydrophobicContact CE1-SD 3.22Å; F211-M215 WeakPolarHBondContact CE1-SD 3.41Å; F211-M215 HydrophobicContact CZ-CG 4.4Å; F211-M215 HydrophobicContact CZ-SD 3.89Å; F211-M215 WeakPolarHBondContact O-CG 3.45Å; F211-M215 PolarHBondContact O-N 3.15Å
212L96Very high92.7Very high70 Ų7036.1 Ų36.137%0.36618%0.176SC..Hα-helixtrans-65.1-38.8176.8-65.7175.4000112.1L193 V208 L209 A214 M215 A216L193-L212 HydrophobicContact CD1-CB 3.73Å; L193-L212 HydrophobicContact CD2-CB 4.29Å; L193-L212 HydrophobicContact CD2-CD1 4.49Å; V208-L212 HydrophobicContact CG1-CD1 4.26Å; V208-L212 WeakPolarHBondContact O-CG 3.45Å; V208-L212 PolarHBondContact O-N 3.3Å; L209-L212 PolarHBondContact O-N 2.96Å; L212-A214 VanDerWaalsContact C-N 3.32Å; L212-A214 PolarHBondContact O-N 3.48Å; L212-M215 HydrophobicContact CD2-SD 4.04Å; L212-M215 WeakPolarHBondContact O-CB 3.47Å; L212-M215 PolarHBondContact O-N 3.13Å; L212-A216 PolarHBondContact O-N 3.11Å
213L94.8Very high92.6Very high0 Ų031.1 Ų31.10%015%0.15CC..Hα-helixtrans-60.8-43.2174.517762.6000111Q190 L193 V197 L209 R210 F211 A216 S217Q190-L213 HydrophobicContact CB-CD1 4.27Å; Q190-L213 HydrophobicContact CG-CD1 3.73Å; Q190-L213 WeakPolarHBondContact O-CD1 3.34Å; L193-L213 HydrophobicContact CB-CB 4.15Å; L193-L213 HydrophobicContact CB-CD1 4.16Å; V197-L213 HydrophobicContact CG2-CD2 4.42Å; L209-L213 VanDerWaalsContact O-CB 3.24Å; L209-L213 WeakPolarHBondContact O-CB 3.5Å; L209-L213 PolarHBondContact O-N 3.32Å; R210-L213 WeakPolarHBondContact O-CB 3.48Å; R210-L213 PolarHBondContact O-N 2.96Å; F211-L213 VanDerWaalsContact C-N 3.35Å; F211-L213 PolarHBondContact O-N 3.22Å; L213-A216 PolarHBondContact O-N 3.25Å; L213-S217 WeakPolarHBondContact O-CB 3.39Å; L213-S217 PolarHBondContact O-N 3.38Å
214A94.5Very high92.5Very high0 Ų030.3 Ų30.30%015%0.147CC..Hα-helixtrans-63.5-41.2176.400000112.2F159 V163 R210 F211 L212 S217 S218F159-A214 HydrophobicContact CD1-CB 3.87Å; F159-A214 HydrophobicContact CD2-CB 3.61Å; F159-A214 HydrophobicContact CE1-CB 3.8Å; F159-A214 HydrophobicContact CE2-CB 3.55Å; F159-A214 HydrophobicContact CG-CB 3.76Å; F159-A214 HydrophobicContact CZ-CB 3.65Å; F159-A214 WeakPolarHBondContact O-CB 3.45Å; V163-A214 HydrophobicContact CG2-CB 4.07Å; R210-A214 WeakPolarHBondContact O-CB 3.24Å; R210-A214 PolarHBondContact O-N 3.26Å; F211-A214 WeakPolarHBondContact O-CB 3.34Å; F211-A214 PolarHBondContact O-N 3.46Å; L212-A214 VanDerWaalsContact C-N 3.32Å; L212-A214 PolarHBondContact O-N 3.48Å; A214-S217 PolarHBondContact O-N 2.89Å; A214-S218 WeakPolarHBondContact O-CB 3.4Å; A214-S218 PolarHBondContact O-N 3.4Å
215M94.5Very high92.1Very high28 Ų2826 Ų2614%0.13813%0.132CC..Hα-helixtrans-59.5-48.2174.5-72.2174.754.700111.7G162 V165 G166 L169 F170 F211 L212 G219G162-M215 WeakPolarHBondContact O-CA 3.36Å; G162-M215 WeakPolarHBondContact O-CG 3.41Å; V165-M215 HydrophobicContact CB-CG 4.36Å; V165-M215 HydrophobicContact CG1-CE 3.99Å; V165-M215 HydrophobicContact CG1-CG 4.41Å; V165-M215 HydrophobicContact CG1-SD 4.15Å; G166-M215 WeakPolarHBondContact CA-O 3.42Å; L169-M215 HydrophobicContact CD1-CE 3.95Å; F170-M215 HydrophobicContact CE2-CB 4.45Å; F211-M215 HydrophobicContact CD1-CG 4.43Å; F211-M215 HydrophobicContact CD1-SD 3.75Å; F211-M215 HydrophobicContact CE1-CG 4.12Å; F211-M215 HydrophobicContact CE1-SD 3.22Å; F211-M215 WeakPolarHBondContact CE1-SD 3.41Å; F211-M215 HydrophobicContact CZ-CG 4.4Å; F211-M215 HydrophobicContact CZ-SD 3.89Å; F211-M215 WeakPolarHBondContact O-CG 3.45Å; F211-M215 PolarHBondContact O-N 3.15Å; L212-M215 HydrophobicContact CD2-SD 4.04Å; L212-M215 WeakPolarHBondContact O-CB 3.47Å; L212-M215 PolarHBondContact O-N 3.13Å; M215-G219 PolarHBondContact O-N 2.96Å
216A93.9Very high91.6Very high3 Ų322.8 Ų22.83%0.02512%0.121CC..Hα-helixtrans-63.1-44.8178.600000111.7C189 Q190 L212 L213 G219 Y220C189-A216 HydrophobicContact CB-CB 4.06Å; Q190-A216 HydrophobicContact CB-CB 4.36Å; L212-A216 PolarHBondContact O-N 3.11Å; L213-A216 PolarHBondContact O-N 3.25Å; A216-G219 PolarHBondContact O-N 3.39Å; A216-Y220 PolarHBondContact O-N 2.99Å
217S92.3Very high91.3Very high0 Ų022.9 Ų22.90%012%0.121CC..Hα-helixtrans-65.8-41.6-178.7-1740000113.3C33 Q190 L213 A214 L221C33-S217 WeakPolarHBondContact CA-OG 3.33Å; C33-S217 WeakPolarHBondContact CB-OG 3.16Å; C33-S217 PolarHBondContact SG-O 3.38Å; C33-S217 PolarHBondContact SG-OG 2.94Å; C33-S217 VanDerWaalsContact SG-OG 3.4Å; Q190-S217 VanDerWaalsContact OE1-CA 3.31Å; L213-S217 WeakPolarHBondContact O-CB 3.39Å; L213-S217 PolarHBondContact O-N 3.38Å; A214-S217 PolarHBondContact O-N 2.89Å; S217-L221 PolarHBondContact O-N 3.34Å; S217-L221 VanDerWaalsContact O-N 3.15Å
218S90.6Very high90.9Very high0 Ų022 Ų220%012%0.116CC..Hα-helixtrans-67.7-42.3174.7-176.30000111.9Y37 V163 A214 Y220 L221 V222Y37-S218 WeakPolarHBondContact OH-CB 3.28Å; V163-S218 VanDerWaalsContact O-CB 3.25Å; V163-S218 WeakPolarHBondContact O-CB 3.49Å; V163-S218 PolarHBondContact O-OG 3.46Å; A214-S218 WeakPolarHBondContact O-CB 3.4Å; A214-S218 PolarHBondContact O-N 3.4Å; S218-Y220 VanDerWaalsContact C-N 3.33Å; S218-Y220 PolarHBondContact O-N 3.26Å; S218-L221 PolarHBondContact O-N 2.69Å; S218-L221 VanDerWaalsContact O-N 3.15Å; S218-V222 WeakPolarHBondContact O-CG2 3.25Å; S218-V222 PolarHBondContact O-N 3.38Å
219G89.9Confident90Very high0 Ų019.1 Ų19.10%010%0.099CC..Hα-helixtrans-57.8-45.3175.500000112.2M215 A216 L221 V222 V223M215-G219 PolarHBondContact O-N 2.96Å; A216-G219 PolarHBondContact O-N 3.39Å; G219-L221 PolarHBondContact O-N 3.06Å; G219-V222 PolarHBondContact O-N 3.27Å; G219-V223 VanDerWaalsContact O-CG2 3.27Å; G219-V223 WeakPolarHBondContact O-CG2 3.48Å; G219-V223 PolarHBondContact O-N 3.49Å; G219-V223 VanDerWaalsContact O-N 3.08Å
220Y91.1Very high89.4Confident1 Ų119.9 Ų19.90%0.00410%0.102CC..Hα-helixtrans-57-48.9173.3-178.8-89.2000111.8A26 Q29 L183 A216 S218 V222 V223 V224 F279A26-Y220 PolarHBondContact O-OH 2.94Å; Q29-Y220 HydrophobicContact CB-CE1 3.78Å; Q29-Y220 HydrophobicContact CB-CE2 4.24Å; Q29-Y220 VanDerWaalsContact CB-CZ 3.5Å; Q29-Y220 VanDerWaalsContact CB-OH 3.27Å; Q29-Y220 WeakPolarHBondContact CB-OH 3.39Å; Q29-Y220 HydrophobicContact CG-CD1 4.05Å; Q29-Y220 HydrophobicContact CG-CD2 4.14Å; Q29-Y220 HydrophobicContact CG-CE1 3.46Å; Q29-Y220 VanDerWaalsContact CG-CE1 3.46Å; Q29-Y220 HydrophobicContact CG-CE2 3.55Å; Q29-Y220 HydrophobicContact CG-CG 4.39Å; L183-Y220 HydrophobicContact CB-CE2 4.29Å; L183-Y220 HydrophobicContact CD2-CD2 3.6Å; L183-Y220 HydrophobicContact CD2-CE2 3.44Å; L183-Y220 VanDerWaalsContact CD2-CE2 3.44Å; L183-Y220 HydrophobicContact CD2-CG 4.34Å; L183-Y220 HydrophobicContact CG-CE2 4.44Å; A216-Y220 PolarHBondContact O-N 2.99Å; S218-Y220 VanDerWaalsContact C-N 3.33Å; S218-Y220 PolarHBondContact O-N 3.26Å; Y220-V222 VanDerWaalsContact C-N 3.33Å; Y220-V222 PolarHBondContact O-N 2.87Å; Y220-V223 PolarHBondContact O-N 2.9Å; Y220-V224 HydrophobicContact CD1-CB 4.37Å; Y220-V224 HydrophobicContact CD1-CG1 4.21Å; Y220-V224 HydrophobicContact CE1-CB 3.82Å; Y220-V224 HydrophobicContact CE1-CG1 3.83Å; Y220-V224 HydrophobicContact CE1-CG2 4.06Å; Y220-V224 WeakPolarHBondContact O-CB 3.46Å; Y220-V224 WeakPolarHBondContact O-CG1 3.04Å; Y220-V224 PolarHBondContact O-N 3.06Å; Y220-V224 WeakPolarHBondContact OH-CG2 3.49Å; Y220-F279 AromaticContact CE2-CE1 3.77Å; Y220-F279 HydrophobicContact CE2-CE1 3.77Å; Y220-F279 AromaticContact CE2-CZ 3.91Å; Y220-F279 HydrophobicContact CE2-CZ 3.91Å; Y220-F279 WeakPolarHBondContact OH-CZ 3.05Å
221L88.3Confident88.8Confident33 Ų3319.6 Ų19.617%0.17310%0.101CC..Hα-helixtrans-61.8-38.1-176.7-169.6147.8000112.7C33 S217 S218 G219 V224 F225 F248C33-L221 HydrophobicContact CB-CD1 4.06Å; S217-L221 PolarHBondContact O-N 3.34Å; S217-L221 VanDerWaalsContact O-N 3.15Å; S218-L221 PolarHBondContact O-N 2.69Å; S218-L221 VanDerWaalsContact O-N 3.15Å; G219-L221 PolarHBondContact O-N 3.06Å; L221-V224 WeakPolarHBondContact O-CG1 3.46Å; L221-F225 WeakPolarHBondContact O-CB 3.42Å; L221-F225 PolarHBondContact O-N 3.39Å; L221-F248 HydrophobicContact CD1-CD2 4.01Å; L221-F248 HydrophobicContact CD1-CE2 4.29Å
222V86.6Confident87.9Confident40 Ų4017.3 Ų17.324%0.2429%0.091CC..Hα-helixtrans-69.1-47.1176.3174.50000110.9A167 S218 G219 Y220 F225 V226A167-V222 HydrophobicContact CB-CG2 3.91Å; S218-V222 WeakPolarHBondContact O-CG2 3.25Å; S218-V222 PolarHBondContact O-N 3.38Å; G219-V222 PolarHBondContact O-N 3.27Å; Y220-V222 VanDerWaalsContact C-N 3.33Å; Y220-V222 PolarHBondContact O-N 2.87Å; V222-F225 PolarHBondContact O-N 3.31Å; V222-V226 PolarHBondContact O-N 3.09Å
223V88.6Confident86.6Confident3 Ų314 Ų142%0.0187%0.073CC..Hα-helixtrans-70.6-36.8-176.1-178.40000111.6A174 R179 I182 L183 G219 Y220 F225 V226 Y227A174-V223 HydrophobicContact CB-CB 4.42Å; A174-V223 HydrophobicContact CB-CG1 3.98Å; A174-V223 HydrophobicContact CB-CG2 3.5Å; A174-V223 VanDerWaalsContact CB-CG2 3.5Å; R179-V223 HydrophobicContact CB-CG1 3.96Å; R179-V223 HydrophobicContact CG-CG1 4.25Å; R179-V223 WeakPolarHBondContact O-CG1 3.47Å; I182-V223 HydrophobicContact CG2-CG2 3.96Å; L183-V223 HydrophobicContact CD1-CG1 4.26Å; L183-V223 HydrophobicContact CD2-CB 3.89Å; L183-V223 HydrophobicContact CD2-CG1 3.81Å; L183-V223 HydrophobicContact CG-CB 4.28Å; L183-V223 HydrophobicContact CG-CG1 3.65Å; G219-V223 VanDerWaalsContact O-CG2 3.27Å; G219-V223 WeakPolarHBondContact O-CG2 3.48Å; G219-V223 PolarHBondContact O-N 3.49Å; G219-V223 VanDerWaalsContact O-N 3.08Å; Y220-V223 PolarHBondContact O-N 2.9Å; V223-F225 VanDerWaalsContact C-N 3.3Å; V223-F225 PolarHBondContact O-N 3Å; V223-V226 PolarHBondContact O-N 3.06Å; V223-Y227 WeakPolarHBondContact O-CB 3.5Å; V223-Y227 PolarHBondContact O-N 3.16Å
224V88.8Confident85.3Confident0 Ų016 Ų160%09%0.087CC..Hα-helixtrans-67.8-34.9-179.875.40000111.2A26 L183 Y220 L221 Y227 V228A26-V224 HydrophobicContact CB-CG2 3.74Å; L183-V224 HydrophobicContact CD2-CB 3.86Å; L183-V224 HydrophobicContact CD2-CG2 4.49Å; Y220-V224 HydrophobicContact CD1-CB 4.37Å; Y220-V224 HydrophobicContact CD1-CG1 4.21Å; Y220-V224 HydrophobicContact CE1-CB 3.82Å; Y220-V224 HydrophobicContact CE1-CG1 3.83Å; Y220-V224 HydrophobicContact CE1-CG2 4.06Å; Y220-V224 WeakPolarHBondContact O-CB 3.46Å; Y220-V224 WeakPolarHBondContact O-CG1 3.04Å; Y220-V224 PolarHBondContact O-N 3.06Å; Y220-V224 WeakPolarHBondContact OH-CG2 3.49Å; L221-V224 WeakPolarHBondContact O-CG1 3.46Å; V224-Y227 PolarHBondContact O-N 3.13Å; V224-V228 HydrophobicContact CG2-CG2 4.39Å; V224-V228 WeakPolarHBondContact O-CB 3.42Å; V224-V228 WeakPolarHBondContact O-CG2 3.03Å; V224-V228 PolarHBondContact O-N 3.25Å
225F84.3Confident84.2Confident73 Ų7323.1 Ų23.132%0.3212%0.118SC..Hα-helixtrans-61.6-48.6174.6177.5-94.4000111L221 V222 V223 T229 I244L221-F225 WeakPolarHBondContact O-CB 3.42Å; L221-F225 PolarHBondContact O-N 3.39Å; V222-F225 PolarHBondContact O-N 3.31Å; V223-F225 VanDerWaalsContact C-N 3.3Å; V223-F225 PolarHBondContact O-N 3Å; F225-T229 HydrophobicContact CE1-CG2 4.31Å; F225-T229 HydrophobicContact CE2-CG2 4.32Å; F225-T229 HydrophobicContact CZ-CG2 4.15Å; F225-T229 WeakPolarHBondContact O-CB 3.35Å; F225-T229 VanDerWaalsContact O-CG2 3.27Å; F225-T229 WeakPolarHBondContact O-CG2 3.43Å; F225-T229 PolarHBondContact O-N 3.38Å; F225-T229 PolarHBondContact O-OG1 3.46Å; F225-I244 HydrophobicContact CD2-CD1 4.17Å
226V83.2Confident83.2Confident44 Ų4423.2 Ų23.227%0.26712%0.121SC..Hα-helixtrans-63.1-46.2176.2178.50000110.6V222 V223 V228 T229 E230V222-V226 PolarHBondContact O-N 3.09Å; V223-V226 PolarHBondContact O-N 3.06Å; V226-V228 PolarHBondContact O-N 3.03Å; V226-T229 WeakPolarHBondContact CA-OG1 3.39Å; V226-T229 PolarHBondContact O-N 3.03Å; V226-T229 PolarHBondContact O-OG1 3.1Å; V226-E230 HydrophobicContact CG1-CG 4.13Å; V226-E230 WeakPolarHBondContact CG1-OE1 3.49Å; V226-E230 WeakPolarHBondContact O-CB 3.44Å; V226-E230 WeakPolarHBondContact O-CG 3.18Å; V226-E230 PolarHBondContact O-N 3.02Å
227Y87.1Confident82.1Confident3 Ų327.2 Ų27.21%0.01214%0.135CC..Hα-helixtrans-55.3-50.2178.6-175.8-94.3000112.4R179 V180 L183 V223 V224 T229 E230 F231 F286 P287 T289R179-Y227 HydrophobicContact CB-CD2 4.17Å; V180-Y227 HydrophobicContact CG2-CD2 4.3Å; V180-Y227 HydrophobicContact CG2-CE2 3.56Å; L183-Y227 HydrophobicContact CD1-CD1 4.41Å; L183-Y227 HydrophobicContact CD1-CD2 4Å; L183-Y227 HydrophobicContact CD1-CG 3.88Å; V223-Y227 WeakPolarHBondContact O-CB 3.5Å; V223-Y227 PolarHBondContact O-N 3.16Å; V224-Y227 PolarHBondContact O-N 3.13Å; Y227-T229 PolarHBondContact O-N 3.24Å; Y227-E230 PolarHBondContact O-N 3.43Å; Y227-F231 HydrophobicContact CD1-CD2 4.15Å; Y227-F231 HydrophobicContact CD2-CD2 4.31Å; Y227-F231 HydrophobicContact CD2-CE2 4.07Å; Y227-F231 AromaticContact CE1-CD2 3.79Å; Y227-F231 HydrophobicContact CE1-CD2 3.79Å; Y227-F231 AromaticContact CE1-CE2 3.91Å; Y227-F231 HydrophobicContact CE1-CE2 3.91Å; Y227-F231 AromaticContact CE2-CD2 3.99Å; Y227-F231 HydrophobicContact CE2-CD2 3.99Å; Y227-F231 AromaticContact CE2-CE2 3.41Å; Y227-F231 HydrophobicContact CE2-CE2 3.41Å; Y227-F231 VanDerWaalsContact CE2-CE2 3.41Å; Y227-F231 HydrophobicContact CE2-CZ 4.45Å; Y227-F231 HydrophobicContact CG-CD2 4.39Å; Y227-F231 AromaticContact CZ-CD2 3.7Å; Y227-F231 AromaticContact CZ-CE2 3.29Å; Y227-F231 WeakPolarHBondContact O-CD2 3.25Å; Y227-F231 PolarHBondContact O-N 3.5Å; Y227-F231 VanDerWaalsContact O-N 3.15Å; Y227-F231 WeakPolarHBondContact OH-CE2 3.32Å; Y227-F286 AromaticContact CE1-CD1 3.75Å; Y227-F286 HydrophobicContact CE1-CD1 3.75Å; Y227-F286 HydrophobicContact CE1-CE1 4.05Å; Y227-F286 AromaticContact CZ-CD1 3.72Å; Y227-F286 WeakPolarHBondContact OH-CD1 3.3Å; Y227-P287 WeakPolarHBondContact CE2-O 3.33Å; Y227-P287 PolarHBondContact OH-O 2.99Å; Y227-T289 HydrophobicContact CD2-CG2 3.49Å; Y227-T289 VanDerWaalsContact CD2-CG2 3.49Å; Y227-T289 HydrophobicContact CE2-CG2 3.82Å; Y227-T289 HydrophobicContact CG-CG2 4.33Å
228V84.5Confident81.1Confident4 Ų430 Ų302%0.02415%0.152CC..Hα-helixtrans-64.8-40.9179.3168.10000111.4Y23 A26 V224 V226 E230 F231 T232 T240 I244Y23-V228 HydrophobicContact CD2-CG1 3.61Å; Y23-V228 HydrophobicContact CD2-CG2 4.18Å; Y23-V228 HydrophobicContact CE2-CG1 3.86Å; A26-V228 HydrophobicContact CB-CG2 4.1Å; V224-V228 HydrophobicContact CG2-CG2 4.39Å; V224-V228 WeakPolarHBondContact O-CB 3.42Å; V224-V228 WeakPolarHBondContact O-CG2 3.03Å; V224-V228 PolarHBondContact O-N 3.25Å; V226-V228 PolarHBondContact O-N 3.03Å; V228-E230 VanDerWaalsContact C-N 3.3Å; V228-E230 PolarHBondContact O-N 3.31Å; V228-F231 PolarHBondContact O-N 2.87Å; V228-T232 HydrophobicContact CG1-CG2 4.29Å; V228-T232 WeakPolarHBondContact O-CB 3.45Å; V228-T232 WeakPolarHBondContact O-CG2 3.46Å; V228-T232 PolarHBondContact O-N 2.89Å; V228-T232 VanDerWaalsContact O-N 3.08Å; V228-T232 PolarHBondContact O-OG1 3.49Å; V228-T240 HydrophobicContact CG1-CG2 4.44Å; V228-I244 HydrophobicContact CB-CD1 4.29Å; V228-I244 HydrophobicContact CG1-CD1 4.4Å; V228-I244 HydrophobicContact CG2-CD1 4.4Å
229T77.1Confident80.4Confident22 Ų2234.9 Ų34.914%0.13517%0.171CC..Hα-helixtrans-74.2-21.8-179.557.70000113.4F225 V226 Y227 R237F225-T229 HydrophobicContact CE1-CG2 4.31Å; F225-T229 HydrophobicContact CE2-CG2 4.32Å; F225-T229 HydrophobicContact CZ-CG2 4.15Å; F225-T229 WeakPolarHBondContact O-CB 3.35Å; F225-T229 VanDerWaalsContact O-CG2 3.27Å; F225-T229 WeakPolarHBondContact O-CG2 3.43Å; F225-T229 PolarHBondContact O-N 3.38Å; F225-T229 PolarHBondContact O-OG1 3.46Å; V226-T229 WeakPolarHBondContact CA-OG1 3.39Å; V226-T229 PolarHBondContact O-N 3.03Å; V226-T229 PolarHBondContact O-OG1 3.1Å; Y227-T229 PolarHBondContact O-N 3.24Å; T229-R237 HydrophobicContact CG2-CG 3.78Å
230E82.8Confident79.7Confident29 Ų2934.9 Ų34.914%0.13617%0.171CC..Hα-helixtrans-79.6-20.1170.4-78.7-171.5-175.900112.7F9 R179 V226 Y227 V228 T289 F291F9-E230 WeakPolarHBondContact CZ-O 3.49Å; R179-E230 IonicContact CZ-OE1 3.61Å; R179-E230 IonicContact NH1-OE1 2.64Å; R179-E230 PolarHBondContact NH1-OE1 3.42Å; R179-E230 VanDerWaalsContact NH1-OE1 3.16Å; R179-E230 IonicContact NH1-OE2 2.61Å; R179-E230 PolarHBondContact NH1-OE2 3.21Å; R179-E230 IonicContact NH2-OE1 3.27Å; V226-E230 HydrophobicContact CG1-CG 4.13Å; V226-E230 WeakPolarHBondContact CG1-OE1 3.49Å; V226-E230 WeakPolarHBondContact O-CB 3.44Å; V226-E230 WeakPolarHBondContact O-CG 3.18Å; V226-E230 PolarHBondContact O-N 3.02Å; Y227-E230 PolarHBondContact O-N 3.43Å; V228-E230 VanDerWaalsContact C-N 3.3Å; V228-E230 PolarHBondContact O-N 3.31Å; E230-T289 HydrophobicContact CB-CG2 3.95Å; E230-T289 WeakPolarHBondContact OE2-CB 3.33Å; E230-T289 WeakPolarHBondContact OE2-CG2 3.4Å; E230-T289 PolarHBondContact OE2-OG1 3.11Å; E230-F291 HydrophobicContact CB-CD2 3.83Å; E230-F291 HydrophobicContact CB-CE2 4.5Å; E230-F291 HydrophobicContact CG-CD2 3.94Å; E230-F291 WeakPolarHBondContact O-CD2 3.4Å; E230-F291 WeakPolarHBondContact O-CE2 3.21Å
231F79.8Confident78.9Confident8 Ų835.7 Ų35.74%0.03518%0.177CC..Hα-helixtrans-96.4-8.7173.1-86.7-75.5000114F9 Q19 L22 Y227 V228 P287 T289 I309F9-F231 VanDerWaalsContact CE1-O 3.29Å; F9-F231 WeakPolarHBondContact CE1-O 3.48Å; Q19-F231 PolarHBondContact NE2-O 2.77Å; L22-F231 HydrophobicContact CD1-CE1 4.37Å; Y227-F231 HydrophobicContact CD1-CD2 4.15Å; Y227-F231 HydrophobicContact CD2-CD2 4.31Å; Y227-F231 HydrophobicContact CD2-CE2 4.07Å; Y227-F231 AromaticContact CE1-CD2 3.79Å; Y227-F231 HydrophobicContact CE1-CD2 3.79Å; Y227-F231 AromaticContact CE1-CE2 3.91Å; Y227-F231 HydrophobicContact CE1-CE2 3.91Å; Y227-F231 AromaticContact CE2-CD2 3.99Å; Y227-F231 HydrophobicContact CE2-CD2 3.99Å; Y227-F231 AromaticContact CE2-CE2 3.41Å; Y227-F231 HydrophobicContact CE2-CE2 3.41Å; Y227-F231 VanDerWaalsContact CE2-CE2 3.41Å; Y227-F231 HydrophobicContact CE2-CZ 4.45Å; Y227-F231 HydrophobicContact CG-CD2 4.39Å; Y227-F231 AromaticContact CZ-CD2 3.7Å; Y227-F231 AromaticContact CZ-CE2 3.29Å; Y227-F231 WeakPolarHBondContact O-CD2 3.25Å; Y227-F231 PolarHBondContact O-N 3.5Å; Y227-F231 VanDerWaalsContact O-N 3.15Å; Y227-F231 WeakPolarHBondContact OH-CE2 3.32Å; V228-F231 PolarHBondContact O-N 2.87Å; F231-P287 HydrophobicContact CZ-CG 4.13Å; F231-T289 HydrophobicContact CD2-CG2 4.01Å; F231-T289 HydrophobicContact CE2-CG2 3.58Å; F231-T289 HydrophobicContact CZ-CG2 4.49Å; F231-I309 HydrophobicContact CE1-CD1 4.35Å
232T77Confident78.4Confident2 Ų235.1 Ų35.11%0.01217%0.173CC..SBendtrans-122.9132.7-173.5610000110.9F15 V228 T240F15-T232 HydrophobicContact CD2-CG2 4.17Å; F15-T232 HydrophobicContact CE2-CG2 4.43Å; V228-T232 HydrophobicContact CG1-CG2 4.29Å; V228-T232 WeakPolarHBondContact O-CB 3.45Å; V228-T232 WeakPolarHBondContact O-CG2 3.46Å; V228-T232 PolarHBondContact O-N 2.89Å; V228-T232 VanDerWaalsContact O-N 3.08Å; V228-T232 PolarHBondContact O-OG1 3.49Å; T232-T240 HydrophobicContact CG2-CG2 4.01Å
233G68.3Low78.2Confident0 Ų036.1 Ų36.10%018%0.175CC..  trans-68.5163.3-178.600000112.7H14 K235 V236 R237H14-G233 WeakPolarHBondContact ND1-CA 3.25Å; G233-K235 PolarHBondContact O-N 3.49Å; G233-K235 VanDerWaalsContact O-N 3.11Å; G233-V236 WeakPolarHBondContact O-CG2 3.42Å; G233-V236 PolarHBondContact O-N 2.98Å; G233-V236 VanDerWaalsContact O-N 3.14Å; G233-R237 PolarHBondContact O-N 3.46Å; G233-R237 VanDerWaalsContact O-N 3.13Å
234S68.3Low77.9Confident42 Ų4236.3 Ų36.329%0.29418%0.176SC..Hα-helixtrans-56.1-30.4-177.550.10000113.8E6 V236E6-S234 WeakPolarHBondContact OE1-CB 3.32Å; E6-S234 PolarHBondContact OE1-OG 3.15Å; S234-V236 PolarHBondContact O-N 2.65Å
235K70.3Confident77.5Confident150 Ų15039.2 Ų39.265%0.65219%0.19SC*.Hα-helixtrans-63.8-34.5179.3-64179.8-174.8158.40113.8D10 G233D10-K235 IonicContact OD1-NZ 3.57Å; D10-K235 PolarHBondContact OD1-NZ 3.32Å; D10-K235 VanDerWaalsContact OD1-NZ 3.1Å; G233-K235 PolarHBondContact O-N 3.49Å; G233-K235 VanDerWaalsContact O-N 3.11Å
236V73.6Confident77.6Confident31 Ų3136.8 Ų36.819%0.18818%0.183CC..Hα-helixtrans-106.6-7.2-177.2-65.40000113H14 F15 G233 S234 T238 W239 T240H14-V236 HydrophobicContact CB-CG1 4.32Å; H14-V236 HydrophobicContact CB-CG2 4.29Å; H14-V236 WeakPolarHBondContact O-CG2 3.39Å; F15-V236 HydrophobicContact CB-CG1 4.25Å; F15-V236 HydrophobicContact CB-CG2 4.38Å; G233-V236 WeakPolarHBondContact O-CG2 3.42Å; G233-V236 PolarHBondContact O-N 2.98Å; G233-V236 VanDerWaalsContact O-N 3.14Å; S234-V236 PolarHBondContact O-N 2.65Å; V236-T238 PolarHBondContact O-N 3.17Å; V236-W239 WeakPolarHBondContact O-CB 3.4Å; V236-W239 PolarHBondContact O-N 3.3Å; V236-W239 VanDerWaalsContact O-N 3.08Å; V236-T240 PolarHBondContact O-N 3.5Å; V236-T240 PolarHBondContact O-OG1 3.03Å
237R72.7Confident77.9Confident86 Ų8635.1 Ų35.133%0.32517%0.173SC..Hα-helixtrans-55-46.2-173.8-169.5177-65.8156.71113.3T229 G233 W239 T240 S241T229-R237 HydrophobicContact CG2-CG 3.78Å; G233-R237 PolarHBondContact O-N 3.46Å; G233-R237 VanDerWaalsContact O-N 3.13Å; R237-W239 PolarHBondContact O-N 3.13Å; R237-T240 WeakPolarHBondContact CA-OG1 3.39Å; R237-T240 PolarHBondContact O-N 3.38Å; R237-T240 PolarHBondContact O-OG1 3.27Å; R237-S241 WeakPolarHBondContact O-CB 3.44Å; R237-S241 PolarHBondContact O-N 3.08Å
238T71.3Confident78Confident58 Ų5835.7 Ų35.736%0.35618%0.176SC..Hα-helixtrans-61.3-45.3178.1-550000111.1V236 T240 S241 M242V236-T238 PolarHBondContact O-N 3.17Å; T238-T240 PolarHBondContact O-N 2.86Å; T238-S241 PolarHBondContact O-N 3.29Å; T238-M242 VanDerWaalsContact O-CG 3.31Å; T238-M242 WeakPolarHBondContact O-CG 3.32Å; T238-M242 PolarHBondContact O-N 2.56Å
239W74.6Confident78.2Confident103 Ų10335.5 Ų35.539%0.3918%0.175SC..Hα-helixtrans-61.3-45.1177.2179.489.5000111.6F15 Y23 V236 R237 S241 M242 H243F15-W239 HydrophobicContact CE1-CH2 4.37Å; F15-W239 HydrophobicContact CE1-CZ3 4.18Å; F15-W239 HydrophobicContact CE2-CZ3 4.2Å; F15-W239 HydrophobicContact CZ-CH2 4.33Å; F15-W239 AromaticContact CZ-CZ3 3.89Å; F15-W239 HydrophobicContact CZ-CZ3 3.89Å; Y23-W239 HydrophobicContact CE1-CH2 4.24Å; Y23-W239 HydrophobicContact CE1-CZ3 4.02Å; Y23-W239 AromaticContact CZ-CZ3 3.97Å; V236-W239 WeakPolarHBondContact O-CB 3.4Å; V236-W239 PolarHBondContact O-N 3.3Å; V236-W239 VanDerWaalsContact O-N 3.08Å; R237-W239 PolarHBondContact O-N 3.13Å; W239-S241 PolarHBondContact O-N 3.42Å; W239-M242 PolarHBondContact O-N 3.47Å; W239-H243 AromaticContact CD1-CE1 3.76Å; W239-H243 AromaticContact CD2-CE1 3.61Å; W239-H243 AromaticContact CD2-ND1 3.79Å; W239-H243 AromaticContact CE2-CE1 3.05Å; W239-H243 AromaticContact CE2-ND1 3.71Å; W239-H243 AromaticContact CE2-NE2 3.65Å; W239-H243 AromaticContact CH2-CE1 4Å; W239-H243 AromaticContact CH2-NE2 3.96Å; W239-H243 AromaticContact CZ2-CE1 3.28Å; W239-H243 WeakPolarHBondContact CZ2-CE1 3.09Å; W239-H243 AromaticContact CZ2-NE2 3.35Å; W239-H243 WeakPolarHBondContact CZ2-NE2 3.24Å; W239-H243 AromaticContact NE1-CE1 3.2Å; W239-H243 PolarHBondContact NE1-CE1 2.95Å; W239-H243 AromaticContact NE1-NE2 3.99Å; W239-H243 PolarHBondContact O-N 3.35Å; W239-H243 PolarHBondContact O-ND1 3.04Å
240T75.9Confident78.9Confident0 Ų037.3 Ų37.30%019%0.186CC..Hα-helixtrans-66.3-36.4178.951.30000113.7F15 Y23 V228 T232 V236 R237 T238 H243 I244F15-T240 HydrophobicContact CE2-CG2 4.26Å; Y23-T240 HydrophobicContact CD2-CG2 4.2Å; Y23-T240 HydrophobicContact CE2-CG2 3.64Å; V228-T240 HydrophobicContact CG1-CG2 4.44Å; T232-T240 HydrophobicContact CG2-CG2 4.01Å; V236-T240 PolarHBondContact O-N 3.5Å; V236-T240 PolarHBondContact O-OG1 3.03Å; R237-T240 WeakPolarHBondContact CA-OG1 3.39Å; R237-T240 PolarHBondContact O-N 3.38Å; R237-T240 PolarHBondContact O-OG1 3.27Å; T238-T240 PolarHBondContact O-N 2.86Å; T240-H243 PolarHBondContact O-N 3.19Å; T240-I244 PolarHBondContact O-N 3Å
241S74.1Confident79.3Confident19 Ų1936 Ų3613%0.13318%0.18CC..Hα-helixtrans-61.2-44.2174.2174.30000111.5R237 T238 W239 H243 I244 H245R237-S241 WeakPolarHBondContact O-CB 3.44Å; R237-S241 PolarHBondContact O-N 3.08Å; T238-S241 PolarHBondContact O-N 3.29Å; W239-S241 PolarHBondContact O-N 3.42Å; S241-H243 VanDerWaalsContact C-N 3.27Å; S241-H243 PolarHBondContact O-N 3.42Å; S241-I244 WeakPolarHBondContact O-CB 3.35Å; S241-I244 PolarHBondContact O-N 3.32Å; S241-H245 PolarHBondContact O-CD2 3Å; S241-H245 PolarHBondContact O-N 3.34Å
242M76.9Confident79.8Confident21 Ų2135.6 Ų35.610%0.10318%0.178CC..Hα-helixtrans-63.4-33.2-179.4-66.9-61.9133.400113T238 W239 H245 A246 N410 Y413T238-M242 VanDerWaalsContact O-CG 3.31Å; T238-M242 WeakPolarHBondContact O-CG 3.32Å; T238-M242 PolarHBondContact O-N 2.56Å; W239-M242 PolarHBondContact O-N 3.47Å; M242-H245 PolarHBondContact O-N 3.18Å; M242-A246 PolarHBondContact O-N 3.22Å; M242-N410 PolarHBondContact O-ND2 2.82Å; M242-Y413 HydrophobicContact CE-CD1 3.66Å; M242-Y413 HydrophobicContact CE-CE1 3.26Å; M242-Y413 HydrophobicContact CG-CD1 4.36Å; M242-Y413 HydrophobicContact SD-CD1 3.5Å; M242-Y413 WeakPolarHBondContact SD-CD1 3.2Å; M242-Y413 HydrophobicContact SD-CE1 3.81Å; M242-Y413 HydrophobicContact SD-CG 4.33Å
243H82.5Confident80.5Confident61 Ų6137.1 Ų37.128%0.28219%0.185SC..Hα-helixtrans-71.3-33.5177.2-76.868000113Y23 W239 T240 S241 H245 A246 A247Y23-H243 WeakPolarHBondContact OH-CB 3.49Å; W239-H243 AromaticContact CD1-CE1 3.76Å; W239-H243 AromaticContact CD2-CE1 3.61Å; W239-H243 AromaticContact CD2-ND1 3.79Å; W239-H243 AromaticContact CE2-CE1 3.05Å; W239-H243 AromaticContact CE2-ND1 3.71Å; W239-H243 AromaticContact CE2-NE2 3.65Å; W239-H243 AromaticContact CH2-CE1 4Å; W239-H243 AromaticContact CH2-NE2 3.96Å; W239-H243 AromaticContact CZ2-CE1 3.28Å; W239-H243 WeakPolarHBondContact CZ2-CE1 3.09Å; W239-H243 AromaticContact CZ2-NE2 3.35Å; W239-H243 WeakPolarHBondContact CZ2-NE2 3.24Å; W239-H243 AromaticContact NE1-CE1 3.2Å; W239-H243 PolarHBondContact NE1-CE1 2.95Å; W239-H243 AromaticContact NE1-NE2 3.99Å; W239-H243 PolarHBondContact O-N 3.35Å; W239-H243 PolarHBondContact O-ND1 3.04Å; T240-H243 PolarHBondContact O-N 3.19Å; S241-H243 VanDerWaalsContact C-N 3.27Å; S241-H243 PolarHBondContact O-N 3.42Å; H243-H245 VanDerWaalsContact C-N 3.27Å; H243-H245 PolarHBondContact O-N 2.94Å; H243-A246 PolarHBondContact O-N 3.31Å; H243-A246 VanDerWaalsContact O-N 3.16Å; H243-A247 WeakPolarHBondContact O-CB 3.28Å; H243-A247 PolarHBondContact O-N 3.05Å
244I82.6Confident81.7Confident6 Ų638.9 Ų38.93%0.03120%0.196CC..Hα-helixtrans-60.4-43.7172.8-65.6169.2000109.4V27 A30 F225 V228 T240 S241 A247 F248V27-I244 HydrophobicContact CG2-CG1 4.05Å; A30-I244 HydrophobicContact CB-CG2 4.06Å; F225-I244 HydrophobicContact CD2-CD1 4.17Å; V228-I244 HydrophobicContact CB-CD1 4.29Å; V228-I244 HydrophobicContact CG1-CD1 4.4Å; V228-I244 HydrophobicContact CG2-CD1 4.4Å; T240-I244 PolarHBondContact O-N 3Å; S241-I244 WeakPolarHBondContact O-CB 3.35Å; S241-I244 PolarHBondContact O-N 3.32Å; I244-A247 PolarHBondContact O-N 3.41Å; I244-F248 PolarHBondContact O-N 3.18Å
245H81Confident82.9Confident62 Ų6236.9 Ų36.929%0.28718%0.182SC..Hα-helixtrans-67.2-33.4174.1-71.9-67.5000113.3S241 M242 H243 F248 A249S241-H245 PolarHBondContact O-CD2 3Å; S241-H245 PolarHBondContact O-N 3.34Å; M242-H245 PolarHBondContact O-N 3.18Å; H243-H245 VanDerWaalsContact C-N 3.27Å; H243-H245 PolarHBondContact O-N 2.94Å; H245-F248 WeakPolarHBondContact O-CB 3.43Å; H245-A249 PolarHBondContact O-N 3.32Å; H245-A249 VanDerWaalsContact O-N 3.15Å
246A86.6Confident83.9Confident21 Ų2129.8 Ų29.817%0.17415%0.152CC..Hα-helixtrans-67.7-41.5173.700000111.4M242 H243 F248 A249 V250 N410M242-A246 PolarHBondContact O-N 3.22Å; H243-A246 PolarHBondContact O-N 3.31Å; H243-A246 VanDerWaalsContact O-N 3.16Å; A246-F248 VanDerWaalsContact C-N 3.31Å; A246-F248 PolarHBondContact O-N 3.32Å; A246-A249 WeakPolarHBondContact O-CA 3.32Å; A246-A249 WeakPolarHBondContact O-CB 3.43Å; A246-A249 PolarHBondContact O-N 3.41Å; A246-V250 WeakPolarHBondContact O-CG2 3.42Å; A246-V250 PolarHBondContact O-N 3.28Å; A246-N410 PolarHBondContact N-ND2 3.2Å
247A89.3Confident84.8Confident9 Ų932.9 Ų32.97%0.07417%0.167CC..Hα-helixtrans-61.9-39.7175.500000111.7V27 A30 T31 H243 I244 A249 V250 G251V27-A247 HydrophobicContact CG1-CB 3.5Å; V27-A247 VanDerWaalsContact CG1-CB 3.5Å; V27-A247 WeakPolarHBondContact O-CB 3.02Å; A30-A247 HydrophobicContact CB-CB 4.21Å; T31-A247 WeakPolarHBondContact CA-O 3.46Å; T31-A247 WeakPolarHBondContact CB-O 3.2Å; T31-A247 PolarHBondContact OG1-O 3.38Å; H243-A247 WeakPolarHBondContact O-CB 3.28Å; H243-A247 PolarHBondContact O-N 3.05Å; I244-A247 PolarHBondContact O-N 3.41Å; A247-A249 VanDerWaalsContact C-N 3.32Å; A247-A249 PolarHBondContact O-N 3.35Å; A247-V250 WeakPolarHBondContact O-CB 3.4Å; A247-V250 PolarHBondContact O-N 2.96Å; A247-G251 PolarHBondContact O-N 3.14Å; A247-G251 VanDerWaalsContact O-N 3.09Å
248F88.1Confident85.7Confident15 Ų1529.4 Ų29.47%0.06616%0.155CC..Hα-helixtrans-57.4-44.9170.6-173.3-82.9000111.5C33 G34 Y37 L221 I244 H245 A246 V250 G251 I252C33-F248 HydrophobicContact CB-CD2 4.34Å; C33-F248 HydrophobicContact CB-CE2 4.46Å; G34-F248 VanDerWaalsContact CA-CD2 3.43Å; G34-F248 VanDerWaalsContact CA-CE2 3.45Å; Y37-F248 HydrophobicContact CD1-CE2 4.16Å; Y37-F248 AromaticContact CD1-CZ 3.91Å; Y37-F248 HydrophobicContact CD1-CZ 3.91Å; Y37-F248 HydrophobicContact CD2-CE2 4.2Å; Y37-F248 AromaticContact CG-CE2 3.92Å; Y37-F248 HydrophobicContact CG-CE2 3.92Å; Y37-F248 AromaticContact CG-CZ 3.84Å; Y37-F248 HydrophobicContact CG-CZ 3.84Å; L221-F248 HydrophobicContact CD1-CD2 4.01Å; L221-F248 HydrophobicContact CD1-CE2 4.29Å; I244-F248 PolarHBondContact O-N 3.18Å; H245-F248 WeakPolarHBondContact O-CB 3.43Å; A246-F248 VanDerWaalsContact C-N 3.31Å; A246-F248 PolarHBondContact O-N 3.32Å; F248-V250 PolarHBondContact O-N 2.97Å; F248-G251 WeakPolarHBondContact O-CA 3.46Å; F248-G251 PolarHBondContact O-N 3.04Å; F248-I252 HydrophobicContact CD1-CD1 4.11Å; F248-I252 HydrophobicContact CD1-CG1 4.38Å; F248-I252 HydrophobicContact CE1-CD1 3.99Å; F248-I252 HydrophobicContact CE1-CG1 4.3Å; F248-I252 PolarHBondContact O-N 3.09Å
249A89.1Confident86.6Confident0 Ų026.7 Ų26.70%014%0.138CC..Hα-helixtrans-65.1-36.417700000113.1H245 A246 A247 G251 I252 M253 Q406 I407H245-A249 PolarHBondContact O-N 3.32Å; H245-A249 VanDerWaalsContact O-N 3.15Å; A246-A249 WeakPolarHBondContact O-CA 3.32Å; A246-A249 WeakPolarHBondContact O-CB 3.43Å; A246-A249 PolarHBondContact O-N 3.41Å; A247-A249 VanDerWaalsContact C-N 3.32Å; A247-A249 PolarHBondContact O-N 3.35Å; A249-G251 PolarHBondContact O-N 3.26Å; A249-I252 WeakPolarHBondContact O-CB 3.22Å; A249-I252 PolarHBondContact O-N 3.36Å; A249-I252 VanDerWaalsContact O-N 3.12Å; A249-M253 WeakPolarHBondContact O-CG 3.41Å; A249-M253 PolarHBondContact O-N 3.13Å; A249-M253 VanDerWaalsContact O-N 3.15Å; A249-Q406 HydrophobicContact CB-CB 3.96Å; A249-Q406 HydrophobicContact CB-CG 3.88Å; A249-I407 HydrophobicContact CB-CG1 3.82Å
250V91.9Very high87.3Confident61 Ų6127.8 Ų27.837%0.3714%0.143SC..Hα-helixtrans-59-37.2170.1176.10000110.3T31 A246 A247 F248 I252 M253 V254 I407T31-V250 HydrophobicContact CG2-CB 4.31Å; T31-V250 HydrophobicContact CG2-CG1 4.08Å; A246-V250 WeakPolarHBondContact O-CG2 3.42Å; A246-V250 PolarHBondContact O-N 3.28Å; A247-V250 WeakPolarHBondContact O-CB 3.4Å; A247-V250 PolarHBondContact O-N 2.96Å; F248-V250 PolarHBondContact O-N 2.97Å; V250-I252 VanDerWaalsContact C-N 3.31Å; V250-I252 PolarHBondContact O-N 2.79Å; V250-M253 WeakPolarHBondContact O-CB 3.46Å; V250-M253 PolarHBondContact O-N 3.43Å; V250-M253 VanDerWaalsContact O-N 3.13Å; V250-V254 WeakPolarHBondContact O-CG2 3.41Å; V250-V254 PolarHBondContact O-N 3.16Å; V250-I407 HydrophobicContact CG2-CD1 3.98Å
251G91.7Very high88Confident0 Ų033.4 Ų33.40%017%0.173CC..Hα-helixtrans-62.1-37.8175.800000113.1T31 I35 A247 F248 A249 M253 V254 V255T31-G251 WeakPolarHBondContact O-CA 3.1Å; I35-G251 WeakPolarHBondContact CG1-O 3.29Å; A247-G251 PolarHBondContact O-N 3.14Å; A247-G251 VanDerWaalsContact O-N 3.09Å; F248-G251 WeakPolarHBondContact O-CA 3.46Å; F248-G251 PolarHBondContact O-N 3.04Å; A249-G251 PolarHBondContact O-N 3.26Å; G251-M253 VanDerWaalsContact C-N 3.33Å; G251-M253 PolarHBondContact O-N 3.46Å; G251-V254 PolarHBondContact O-N 3.46Å; G251-V255 PolarHBondContact O-N 3.36Å
252I90.2Very high88.7Confident0 Ų033.9 Ų33.90%018%0.175CC..Hα-helixtrans-62.2-42.4173.5-56.6177.8000110.8L38 F248 A249 V250 V254 V255 A256 L399L38-I252 HydrophobicContact CD1-CB 4.11Å; L38-I252 HydrophobicContact CD1-CD1 3.62Å; L38-I252 HydrophobicContact CD1-CG1 3.59Å; L38-I252 HydrophobicContact CD1-CG2 3.59Å; L38-I252 HydrophobicContact CG-CG1 4.33Å; F248-I252 HydrophobicContact CD1-CD1 4.11Å; F248-I252 HydrophobicContact CD1-CG1 4.38Å; F248-I252 HydrophobicContact CE1-CD1 3.99Å; F248-I252 HydrophobicContact CE1-CG1 4.3Å; F248-I252 PolarHBondContact O-N 3.09Å; A249-I252 WeakPolarHBondContact O-CB 3.22Å; A249-I252 PolarHBondContact O-N 3.36Å; A249-I252 VanDerWaalsContact O-N 3.12Å; V250-I252 VanDerWaalsContact C-N 3.31Å; V250-I252 PolarHBondContact O-N 2.79Å; I252-V254 VanDerWaalsContact C-N 3.35Å; I252-V255 WeakPolarHBondContact O-CB 2.87Å; I252-V255 PolarHBondContact O-N 2.79Å; I252-A256 PolarHBondContact O-N 3.38Å; I252-L399 HydrophobicContact CG2-CD1 3.83Å; I252-L399 HydrophobicContact CG2-CG 3.91Å
253M92.6Very high89.2Confident34 Ų3438.3 Ų38.317%0.16719%0.191CC..Hα-helixtrans-66.1-38.3178-62.6170.168.700111.6A249 V250 G251 V255 A256 L257 F400 I407A249-M253 WeakPolarHBondContact O-CG 3.41Å; A249-M253 PolarHBondContact O-N 3.13Å; A249-M253 VanDerWaalsContact O-N 3.15Å; V250-M253 WeakPolarHBondContact O-CB 3.46Å; V250-M253 PolarHBondContact O-N 3.43Å; V250-M253 VanDerWaalsContact O-N 3.13Å; G251-M253 VanDerWaalsContact C-N 3.33Å; G251-M253 PolarHBondContact O-N 3.46Å; M253-V255 VanDerWaalsContact C-N 3.32Å; M253-V255 PolarHBondContact O-N 3.18Å; M253-A256 PolarHBondContact O-N 3.36Å; M253-L257 WeakPolarHBondContact O-CB 3.27Å; M253-L257 PolarHBondContact O-N 3.32Å; M253-F400 HydrophobicContact CB-CD2 3.91Å; M253-F400 HydrophobicContact CB-CE2 3.98Å; M253-F400 HydrophobicContact CE-CD1 4.34Å; M253-F400 HydrophobicContact CE-CD2 4.05Å; M253-F400 HydrophobicContact CE-CE1 3.71Å; M253-F400 HydrophobicContact CE-CE2 3.38Å; M253-F400 HydrophobicContact CE-CG 4.5Å; M253-F400 HydrophobicContact CE-CZ 3.19Å; M253-F400 HydrophobicContact CG-CD2 4.2Å; M253-F400 HydrophobicContact CG-CE2 4.34Å; M253-I407 HydrophobicContact SD-CD1 3.64Å
254V93.1Very high89.5Confident37 Ų3736.8 Ų36.822%0.22419%0.185CC..Hα-helixtrans-62.4-40.5173.5172.90000111I35 V250 G251 I252 L257 T258 L272I35-V254 HydrophobicContact CD1-CB 4.22Å; I35-V254 HydrophobicContact CD1-CG1 3.84Å; I35-V254 HydrophobicContact CG1-CB 4.2Å; I35-V254 HydrophobicContact CG1-CG1 4.18Å; V250-V254 WeakPolarHBondContact O-CG2 3.41Å; V250-V254 PolarHBondContact O-N 3.16Å; G251-V254 PolarHBondContact O-N 3.46Å; I252-V254 VanDerWaalsContact C-N 3.35Å; V254-L257 PolarHBondContact O-N 2.9Å; V254-T258 WeakPolarHBondContact O-CB 3.09Å; V254-T258 PolarHBondContact O-N 3.46Å; V254-T258 PolarHBondContact O-OG1 3.48Å; V254-L272 HydrophobicContact CG1-CD2 4.46Å
255V92.4Very high89.9Confident0 Ų037.2 Ų37.20%019%0.187CC..Hα-helixtrans-60.5-46.3174.1155.60000111.8I35 L38 F42 G251 I252 M253 T258 G259 Y268 L272 L399I35-V255 HydrophobicContact CB-CG2 4.18Å; I35-V255 HydrophobicContact CG1-CG2 4.36Å; I35-V255 HydrophobicContact CG2-CG2 3.98Å; I35-V255 VanDerWaalsContact O-CG2 3.26Å; I35-V255 WeakPolarHBondContact O-CG2 3.32Å; L38-V255 HydrophobicContact CB-CG1 4.48Å; F42-V255 HydrophobicContact CD2-CG1 3.92Å; F42-V255 HydrophobicContact CE2-CG1 3.8Å; G251-V255 PolarHBondContact O-N 3.36Å; I252-V255 WeakPolarHBondContact O-CB 2.87Å; I252-V255 PolarHBondContact O-N 2.79Å; M253-V255 VanDerWaalsContact C-N 3.32Å; M253-V255 PolarHBondContact O-N 3.18Å; V255-T258 PolarHBondContact O-N 3.3Å; V255-G259 PolarHBondContact O-N 3.33Å; V255-Y268 WeakPolarHBondContact CG1-OH 3.41Å; V255-L272 HydrophobicContact CG2-CD1 4.24Å; V255-L272 HydrophobicContact CG2-CD2 4.24Å; V255-L399 HydrophobicContact CG1-CD2 3.87Å
256A91.9Very high90.3Very high2 Ų239.8 Ų39.82%0.01719%0.194CC..Hα-helixtrans-61.3-45.6177.300000112.1I252 M253 G259 Y260 L399 F400I252-A256 PolarHBondContact O-N 3.38Å; M253-A256 PolarHBondContact O-N 3.36Å; A256-G259 PolarHBondContact O-N 3.3Å; A256-Y260 PolarHBondContact O-N 3.31Å; A256-Y260 VanDerWaalsContact O-N 3.11Å; A256-L399 HydrophobicContact CB-CB 4.04Å; A256-L399 HydrophobicContact CB-CD2 4.1Å; A256-L399 HydrophobicContact CB-CG 4.13Å; A256-F400 HydrophobicContact CB-CB 4.02Å
257L92.7Very high90.6Very high96 Ų9641.7 Ų41.750%0.50320%0.2SC..Hα-helixtrans-65.1-44.7178.1-178.962.6000111.9M253 V254 G259 Y260 L261M253-L257 WeakPolarHBondContact O-CB 3.27Å; M253-L257 PolarHBondContact O-N 3.32Å; V254-L257 PolarHBondContact O-N 2.9Å; L257-G259 VanDerWaalsContact C-N 3.34Å; L257-G259 PolarHBondContact O-N 3.48Å; L257-Y260 PolarHBondContact O-N 3.07Å; L257-L261 HydrophobicContact CD1-CD1 4.22Å; L257-L261 HydrophobicContact CD1-CG 4.46Å; L257-L261 HydrophobicContact CG-CD1 4.15Å; L257-L261 WeakPolarHBondContact O-CG 3.31Å; L257-L261 PolarHBondContact O-N 2.91Å; L257-L261 VanDerWaalsContact O-N 3.12Å
258T91.8Very high90.7Very high12 Ų1241.4 Ų41.47%0.07420%0.198CC..Hα-helixtrans-66.6-38.9-179.6-50.40000110.9V254 V255 Y260 L261 V262 Y268 I271 L272V254-T258 WeakPolarHBondContact O-CB 3.09Å; V254-T258 PolarHBondContact O-N 3.46Å; V254-T258 PolarHBondContact O-OG1 3.48Å; V255-T258 PolarHBondContact O-N 3.3Å; T258-Y260 VanDerWaalsContact C-N 3.31Å; T258-Y260 PolarHBondContact O-N 3.29Å; T258-L261 PolarHBondContact O-N 3.43Å; T258-V262 WeakPolarHBondContact O-CB 3.34Å; T258-V262 PolarHBondContact O-N 3.37Å; T258-Y268 HydrophobicContact CG2-CD2 3.69Å; T258-Y268 HydrophobicContact CG2-CE2 4.01Å; T258-I271 HydrophobicContact CG2-CB 4.19Å; T258-I271 HydrophobicContact CG2-CG2 3.76Å; T258-L272 HydrophobicContact CG2-CD2 4.05Å
259G89.1Confident90.9Very high1 Ų140.7 Ų40.71%0.0119%0.194CC..Hα-helixtrans-64.3-35.9175.800000112.7V255 A256 L257 Y396V255-G259 PolarHBondContact O-N 3.33Å; A256-G259 PolarHBondContact O-N 3.3Å; L257-G259 VanDerWaalsContact C-N 3.34Å; L257-G259 PolarHBondContact O-N 3.48Å; G259-Y396 VanDerWaalsContact O-CE1 3.3Å; G259-Y396 WeakPolarHBondContact O-CE1 3.49Å
260Y89.9Confident91Very high126 Ų12642.6 Ų42.649%0.49420%0.204SC..Hα-helixtrans-66.9-40.2175.3179.3-104.4000112.5A256 L257 T258 Y396A256-Y260 PolarHBondContact O-N 3.31Å; A256-Y260 VanDerWaalsContact O-N 3.11Å; L257-Y260 PolarHBondContact O-N 3.07Å; T258-Y260 VanDerWaalsContact C-N 3.31Å; T258-Y260 PolarHBondContact O-N 3.29Å; Y260-Y396 AromaticContact CD2-CD2 3.9Å; Y260-Y396 HydrophobicContact CD2-CD2 3.9Å; Y260-Y396 HydrophobicContact CD2-CE2 4.5Å; Y260-Y396 HydrophobicContact CD2-CG 4.28Å
261L90.3Very high91.1Very high119 Ų11942.4 Ų42.462%0.62320%0.201SC*.Hα-helixtrans-80.2-32-177.8-65.5174.4000113.2L257 T258L257-L261 HydrophobicContact CD1-CD1 4.22Å; L257-L261 HydrophobicContact CD1-CG 4.46Å; L257-L261 HydrophobicContact CG-CD1 4.15Å; L257-L261 WeakPolarHBondContact O-CG 3.31Å; L257-L261 PolarHBondContact O-N 2.91Å; L257-L261 VanDerWaalsContact O-N 3.12Å; T258-L261 PolarHBondContact O-N 3.43Å
262V89.9Confident91Very high29 Ų2942.4 Ų42.418%0.17620%0.201CC..  trans-130111.2-170.2-176.70000110.3T258 I267 I271T258-V262 WeakPolarHBondContact O-CB 3.34Å; T258-V262 PolarHBondContact O-N 3.37Å; V262-I267 HydrophobicContact CG1-CB 3.85Å; V262-I267 HydrophobicContact CG1-CG2 3.75Å; V262-I271 HydrophobicContact CB-CD1 4.49Å; V262-I271 HydrophobicContact CG1-CD1 4.45Å; V262-I271 HydrophobicContact CG2-CD1 3.65Å
263R85.9Confident91Very high114 Ų11442.4 Ų42.443%0.4320%0.201SC..  trans-99.512.5-175.1-60.4173179.5-168.20.8113.9T132 E133 H135 S136T132-R263 PolarHBondContact O-NH1 3.44Å; E133-R263 WeakPolarHBondContact O-CD 3.41Å; H135-R263 HydrophobicContact CB-CB 4.21Å; H135-R263 PolarHBondContact N-O 3.34Å; H135-R263 VanDerWaalsContact N-O 3.14Å; S136-R263 PolarHBondContact N-O 3.17Å
264V90.1Very high90.9Very high29 Ų2945.2 Ų45.218%0.17622%0.215CC..BIsolated β-bridgetrans-117.1117.3179.6179.80000108.4H135 W266 I267 Y268H135-V264 HydrophobicContact CB-CG2 4.18Å; V264-W266 VanDerWaalsContact CG1-CD1 3.43Å; V264-W266 HydrophobicContact CG1-CD2 4.33Å; V264-W266 HydrophobicContact CG1-CG 4.15Å; V264-W266 HydrophobicContact CG1-CZ2 4.37Å; V264-W266 PolarHBondContact O-N 2.64Å; V264-I267 HydrophobicContact CB-CB 4.45Å; V264-I267 HydrophobicContact CB-CD1 4.11Å; V264-I267 HydrophobicContact CB-CG1 4.31Å; V264-I267 HydrophobicContact CG1-CD1 4.11Å; V264-I267 HydrophobicContact CG1-CG1 4.08Å; V264-I267 PolarHBondContact O-N 3.25Å; V264-Y268 VanDerWaalsContact O-CB 3.29Å; V264-Y268 WeakPolarHBondContact O-CB 3.36Å; V264-Y268 PolarHBondContact O-N 3.44Å
265W90.4Very high90.5Very high15 Ų1545.9 Ų45.96%0.05722%0.221CC..Hα-helixtrans-61.4-36.7-166.572.7-92.7000114.9L43 S136 I138 D141 F206 Y268 Q269L43-W265 HydrophobicContact CD2-CB 3.77Å; L43-W265 HydrophobicContact CD2-CE3 4.3Å; S136-W265 PolarHBondContact O-N 3.38Å; S136-W265 VanDerWaalsContact O-N 3.15Å; S136-W265 PolarHBondContact OG-NE1 3.27Å; I138-W265 HydrophobicContact CG1-CD2 4Å; I138-W265 HydrophobicContact CG1-CE3 4.02Å; I138-W265 HydrophobicContact CG1-CG 4.32Å; D141-W265 PolarHBondContact OD2-NE1 3Å; F206-W265 HydrophobicContact CE2-CZ3 4.48Å; W265-Y268 WeakPolarHBondContact O-CB 3.43Å; W265-Q269 WeakPolarHBondContact O-CB 3.49Å; W265-Q269 PolarHBondContact O-N 3.1Å
266W90.3Very high89.9Confident116 Ų11645.9 Ų45.944%0.43922%0.221SC..Hα-helixtrans-75.1-39.2-178.461.4-93.5000112.1A198 V264 Y268 Q269 I270A198-W266 HydrophobicContact CB-CB 4.35Å; A198-W266 WeakPolarHBondContact CB-O 3.25Å; A198-W266 WeakPolarHBondContact O-CB 3.33Å; V264-W266 VanDerWaalsContact CG1-CD1 3.43Å; V264-W266 HydrophobicContact CG1-CD2 4.33Å; V264-W266 HydrophobicContact CG1-CG 4.15Å; V264-W266 HydrophobicContact CG1-CZ2 4.37Å; V264-W266 PolarHBondContact O-N 2.64Å; W266-Y268 VanDerWaalsContact C-N 3.34Å; W266-Q269 PolarHBondContact O-N 3Å; W266-I270 HydrophobicContact CE3-CD1 3.99Å; W266-I270 HydrophobicContact CZ3-CD1 4.34Å; W266-I270 WeakPolarHBondContact O-CG1 3.49Å; W266-I270 PolarHBondContact O-N 2.75Å
267I91.9Very high89.4Confident60 Ų6047.6 Ų47.631%0.30823%0.233SC..Hα-helixtrans-64.1-44.1172.4-57.9178000109.7V262 V264 Q269 I270 I271V262-I267 HydrophobicContact CG1-CB 3.85Å; V262-I267 HydrophobicContact CG1-CG2 3.75Å; V264-I267 HydrophobicContact CB-CB 4.45Å; V264-I267 HydrophobicContact CB-CD1 4.11Å; V264-I267 HydrophobicContact CB-CG1 4.31Å; V264-I267 HydrophobicContact CG1-CD1 4.11Å; V264-I267 HydrophobicContact CG1-CG1 4.08Å; V264-I267 PolarHBondContact O-N 3.25Å; I267-Q269 VanDerWaalsContact C-N 3.33Å; I267-Q269 PolarHBondContact O-N 3.05Å; I267-I270 PolarHBondContact O-N 3.48Å; I267-I271 HydrophobicContact CG2-CD1 3.77Å; I267-I271 HydrophobicContact CG2-CG1 4.38Å; I267-I271 WeakPolarHBondContact O-CG1 3.44Å; I267-I271 PolarHBondContact O-N 3.41Å
268Y91.9Very high89Confident4 Ų445.4 Ų45.42%0.01622%0.224CC..Hα-helixtrans-54.5-49.3175.1169.2-92.1000111.1A39 L43 V255 T258 V264 W265 W266 I270 I271 L272A39-Y268 WeakPolarHBondContact CA-OH 3.48Å; A39-Y268 HydrophobicContact CB-CE1 4.2Å; L43-Y268 HydrophobicContact CD1-CD1 4.24Å; L43-Y268 HydrophobicContact CD1-CE1 3.78Å; L43-Y268 HydrophobicContact CD2-CD1 3.77Å; L43-Y268 HydrophobicContact CD2-CE1 4.11Å; L43-Y268 HydrophobicContact CG-CD1 3.96Å; L43-Y268 HydrophobicContact CG-CE1 3.76Å; V255-Y268 WeakPolarHBondContact CG1-OH 3.41Å; T258-Y268 HydrophobicContact CG2-CD2 3.69Å; T258-Y268 HydrophobicContact CG2-CE2 4.01Å; V264-Y268 VanDerWaalsContact O-CB 3.29Å; V264-Y268 WeakPolarHBondContact O-CB 3.36Å; V264-Y268 PolarHBondContact O-N 3.44Å; W265-Y268 WeakPolarHBondContact O-CB 3.43Å; W266-Y268 VanDerWaalsContact C-N 3.34Å; Y268-I270 PolarHBondContact O-N 3.38Å; Y268-I271 PolarHBondContact O-N 2.64Å; Y268-L272 HydrophobicContact CD1-CD1 3.99Å; Y268-L272 HydrophobicContact CD1-CG 4.49Å; Y268-L272 HydrophobicContact CE1-CD1 3.32Å; Y268-L272 HydrophobicContact CE1-CG 4.18Å; Y268-L272 HydrophobicContact CE2-CD1 4.1Å; Y268-L272 HydrophobicContact CE2-CD2 4.48Å; Y268-L272 HydrophobicContact CE2-CG 4.33Å; Y268-L272 VanDerWaalsContact O-CG 3.32Å; Y268-L272 WeakPolarHBondContact O-CG 3.49Å; Y268-L272 PolarHBondContact O-N 3.39Å
269Q91.5Very high88.6Confident0 Ų045 Ų450%022%0.222CC..Hα-helixtrans-62.3-39178-177.171.423.900112.9G194 V197 A198 W265 W266 I267 S273G194-Q269 VanDerWaalsContact O-CG 3.25Å; G194-Q269 WeakPolarHBondContact O-CG 3.28Å; G194-Q269 PolarHBondContact O-NE2 3.35Å; G194-Q269 VanDerWaalsContact O-NE2 3.11Å; V197-Q269 HydrophobicContact CB-CG 4.11Å; V197-Q269 HydrophobicContact CG1-CG 3.86Å; A198-Q269 HydrophobicContact CB-CB 4.1Å; A198-Q269 HydrophobicContact CB-CG 4.06Å; W265-Q269 WeakPolarHBondContact O-CB 3.49Å; W265-Q269 PolarHBondContact O-N 3.1Å; W266-Q269 PolarHBondContact O-N 3Å; I267-Q269 VanDerWaalsContact C-N 3.33Å; I267-Q269 PolarHBondContact O-N 3.05Å; Q269-S273 WeakPolarHBondContact O-CB 3.43Å; Q269-S273 PolarHBondContact O-N 3.35Å; Q269-S273 PolarHBondContact O-OG 2.89Å
270I92.3Very high88.3Confident40 Ų4046.9 Ų46.921%0.20523%0.231CC..Hα-helixtrans-64.2-48.8176.5-70.1168.9000110.5A198 F199 W266 I267 Y268 L272 S273 I274A198-I270 HydrophobicContact CB-CD1 4.02Å; A198-I270 HydrophobicContact CB-CG1 3.52Å; F199-I270 HydrophobicContact CZ-CD1 4.42Å; W266-I270 HydrophobicContact CE3-CD1 3.99Å; W266-I270 HydrophobicContact CZ3-CD1 4.34Å; W266-I270 WeakPolarHBondContact O-CG1 3.49Å; W266-I270 PolarHBondContact O-N 2.75Å; I267-I270 PolarHBondContact O-N 3.48Å; Y268-I270 PolarHBondContact O-N 3.38Å; I270-L272 VanDerWaalsContact C-N 3.34Å; I270-L272 PolarHBondContact O-N 2.89Å; I270-S273 CarbonylContact O-C 3.56Å; I270-S273 PolarHBondContact O-N 3.19Å; I270-S273 VanDerWaalsContact O-N 3.1Å; I270-I274 HydrophobicContact CG2-CD1 3.62Å; I270-I274 HydrophobicContact CG2-CG1 4.27Å; I270-I274 WeakPolarHBondContact O-CG1 3.45Å; I270-I274 PolarHBondContact O-N 3.25Å
271I92.8Very high87.9Confident57 Ų5746.7 Ų46.729%0.29224%0.238SC..Hα-helixtrans-59.9-46.6179.9-69.1166.6000110.5T258 V262 I267 Y268 S273 I274 C275T258-I271 HydrophobicContact CG2-CB 4.19Å; T258-I271 HydrophobicContact CG2-CG2 3.76Å; V262-I271 HydrophobicContact CB-CD1 4.49Å; V262-I271 HydrophobicContact CG1-CD1 4.45Å; V262-I271 HydrophobicContact CG2-CD1 3.65Å; I267-I271 HydrophobicContact CG2-CD1 3.77Å; I267-I271 HydrophobicContact CG2-CG1 4.38Å; I267-I271 WeakPolarHBondContact O-CG1 3.44Å; I267-I271 PolarHBondContact O-N 3.41Å; Y268-I271 PolarHBondContact O-N 2.64Å; I271-S273 VanDerWaalsContact C-N 3.25Å; I271-S273 PolarHBondContact O-N 2.71Å; I271-I274 PolarHBondContact O-N 3.15Å; I271-I274 VanDerWaalsContact O-N 3.16Å; I271-C275 PolarHBondContact O-N 3.21Å; I271-C275 PolarHBondContact O-SG 3.37Å
272L90.6Very high87.4Confident0 Ų046.9 Ų46.90%023%0.234CC..Hα-helixtrans-58.2-39.1176.1-72.2-169.5000112.5I35 A39 V254 V255 T258 Y268 I270 C275 T276I35-L272 HydrophobicContact CG2-CB 3.68Å; I35-L272 HydrophobicContact CG2-CD1 3.68Å; I35-L272 HydrophobicContact CG2-CD2 3.6Å; I35-L272 HydrophobicContact CG2-CG 3.83Å; A39-L272 HydrophobicContact CB-CD1 3.61Å; V254-L272 HydrophobicContact CG1-CD2 4.46Å; V255-L272 HydrophobicContact CG2-CD1 4.24Å; V255-L272 HydrophobicContact CG2-CD2 4.24Å; T258-L272 HydrophobicContact CG2-CD2 4.05Å; Y268-L272 HydrophobicContact CD1-CD1 3.99Å; Y268-L272 HydrophobicContact CD1-CG 4.49Å; Y268-L272 HydrophobicContact CE1-CD1 3.32Å; Y268-L272 HydrophobicContact CE1-CG 4.18Å; Y268-L272 HydrophobicContact CE2-CD1 4.1Å; Y268-L272 HydrophobicContact CE2-CD2 4.48Å; Y268-L272 HydrophobicContact CE2-CG 4.33Å; Y268-L272 VanDerWaalsContact O-CG 3.32Å; Y268-L272 WeakPolarHBondContact O-CG 3.49Å; Y268-L272 PolarHBondContact O-N 3.39Å; I270-L272 VanDerWaalsContact C-N 3.34Å; I270-L272 PolarHBondContact O-N 2.89Å; L272-C275 WeakPolarHBondContact O-CB 3.47Å; L272-T276 VanDerWaalsContact O-CG2 3.24Å; L272-T276 WeakPolarHBondContact O-CG2 3.47Å
273S90.4Very high87Confident0 Ų046 Ų460%023%0.229CC..Hα-helixtrans-72.1-35.9178.1-55.10000111.8F191 G194 Q269 I270 I271 C275 T276F191-S273 WeakPolarHBondContact CD2-O 3.36Å; G194-S273 WeakPolarHBondContact CA-OG 3.29Å; G194-S273 PolarHBondContact O-OG 3.27Å; Q269-S273 WeakPolarHBondContact O-CB 3.43Å; Q269-S273 PolarHBondContact O-N 3.35Å; Q269-S273 PolarHBondContact O-OG 2.89Å; I270-S273 CarbonylContact O-C 3.56Å; I270-S273 PolarHBondContact O-N 3.19Å; I270-S273 VanDerWaalsContact O-N 3.1Å; I271-S273 VanDerWaalsContact C-N 3.25Å; I271-S273 PolarHBondContact O-N 2.71Å; S273-C275 VanDerWaalsContact C-N 3.33Å; S273-C275 PolarHBondContact O-N 2.85Å; S273-T276 WeakPolarHBondContact O-CB 3.31Å; S273-T276 WeakPolarHBondContact O-CG2 3.23Å; S273-T276 PolarHBondContact O-N 3.4Å; S273-T276 VanDerWaalsContact O-N 3.14Å; S273-T276 PolarHBondContact O-OG1 3.39Å
274I89.5Confident86.7Confident92 Ų9249.4 Ų49.447%0.47224%0.242SC..Hα-helixtrans-65.1-36.6175.4-70168.2000111.4I270 I271 T276 S277I270-I274 HydrophobicContact CG2-CD1 3.62Å; I270-I274 HydrophobicContact CG2-CG1 4.27Å; I270-I274 WeakPolarHBondContact O-CG1 3.45Å; I270-I274 PolarHBondContact O-N 3.25Å; I271-I274 PolarHBondContact O-N 3.15Å; I271-I274 VanDerWaalsContact O-N 3.16Å; I274-T276 PolarHBondContact O-N 3.12Å; I274-S277 VanDerWaalsContact O-CB 3.27Å; I274-S277 WeakPolarHBondContact O-CB 3.48Å; I274-S277 PolarHBondContact O-N 3.22Å; I274-S277 PolarHBondContact O-OG 3.42Å
275C85.8Confident86.5Confident51 Ų5155.6 Ų55.635%0.34527%0.267SS..THydrogen-bonded Turntrans-56.4-20.1174.9-69.20000113.3I35 I271 L272 S273 P278I35-C275 HydrophobicContact CD1-CB 4.15Å; I271-C275 PolarHBondContact O-N 3.21Å; I271-C275 PolarHBondContact O-SG 3.37Å; L272-C275 WeakPolarHBondContact O-CB 3.47Å; S273-C275 VanDerWaalsContact C-N 3.33Å; S273-C275 PolarHBondContact O-N 2.85Å; C275-P278 WeakPolarHBondContact O-CD 3.33Å
276T79.3Confident86.2Confident0 Ų055.9 Ų55.90%027%0.268CS..THydrogen-bonded Turntrans-89.7-17.1-179.883.90000113Q29 S32 L272 S273 I274Q29-T276 PolarHBondContact OE1-O 2.62Å; S32-T276 VanDerWaalsContact OG-CB 3.27Å; S32-T276 WeakPolarHBondContact OG-CB 3.47Å; S32-T276 WeakPolarHBondContact OG-CG2 3.28Å; L272-T276 VanDerWaalsContact O-CG2 3.24Å; L272-T276 WeakPolarHBondContact O-CG2 3.47Å; S273-T276 WeakPolarHBondContact O-CB 3.31Å; S273-T276 WeakPolarHBondContact O-CG2 3.23Å; S273-T276 PolarHBondContact O-N 3.4Å; S273-T276 VanDerWaalsContact O-N 3.14Å; S273-T276 PolarHBondContact O-OG1 3.39Å; I274-T276 PolarHBondContact O-N 3.12Å
277S82.1Confident86.2Confident38 Ų3851.7 Ų51.727%0.26626%0.256SS..Hα-helixtrans-62-33.2-174.768.80000115.9I274 F279 L280I274-S277 VanDerWaalsContact O-CB 3.27Å; I274-S277 WeakPolarHBondContact O-CB 3.48Å; I274-S277 PolarHBondContact O-N 3.22Å; I274-S277 PolarHBondContact O-OG 3.42Å; S277-F279 PolarHBondContact O-N 2.61Å; S277-F279 VanDerWaalsContact O-N 3.16Å; S277-L280 WeakPolarHBondContact O-CB 3.33Å; S277-L280 PolarHBondContact O-N 3.37Å; S277-L280 VanDerWaalsContact O-N 3.08Å
278P84.3Confident86Confident50 Ų5050.3 Ų50.333%0.32525%0.248SC..Hα-helixtrans-59.9-32.9-176.8-25.135.5000113F28 C275 L280 L281 F282F28-P278 HydrophobicContact CE1-CB 3.88Å; F28-P278 HydrophobicContact CE1-CG 4.04Å; F28-P278 HydrophobicContact CZ-CB 4.25Å; F28-P278 HydrophobicContact CZ-CG 4.06Å; C275-P278 WeakPolarHBondContact O-CD 3.33Å; P278-L280 VanDerWaalsContact C-N 3.34Å; P278-L280 PolarHBondContact O-N 3.3Å; P278-L281 PolarHBondContact O-N 3.05Å; P278-F282 WeakPolarHBondContact O-CD2 3.32Å
279F81.4Confident85.8Confident5 Ų550.1 Ų50.12%0.02225%0.247CC..Hα-helixtrans-65.9-36178.9-177.5-104.2000112.8A25 F28 Q29 Y220 S277 L281 F282 C283 F286A25-F279 VanDerWaalsContact O-CD2 3.26Å; A25-F279 WeakPolarHBondContact O-CD2 3.36Å; A25-F279 WeakPolarHBondContact O-CE2 3.29Å; F28-F279 HydrophobicContact CD1-CB 4.45Å; Q29-F279 HydrophobicContact CB-CB 3.97Å; Q29-F279 HydrophobicContact CB-CD1 3.87Å; Q29-F279 HydrophobicContact CB-CD2 3.6Å; Q29-F279 HydrophobicContact CB-CE1 4.23Å; Q29-F279 HydrophobicContact CB-CE2 3.98Å; Q29-F279 HydrophobicContact CB-CG 3.53Å; Q29-F279 HydrophobicContact CB-CZ 4.28Å; Q29-F279 HydrophobicContact CG-CB 4.23Å; Q29-F279 HydrophobicContact CG-CD1 3.59Å; Q29-F279 HydrophobicContact CG-CD2 4.28Å; Q29-F279 HydrophobicContact CG-CE1 3.93Å; Q29-F279 HydrophobicContact CG-CG 3.77Å; Q29-F279 HydrophobicContact CG-CZ 4.41Å; Y220-F279 AromaticContact CE2-CE1 3.77Å; Y220-F279 HydrophobicContact CE2-CE1 3.77Å; Y220-F279 AromaticContact CE2-CZ 3.91Å; Y220-F279 HydrophobicContact CE2-CZ 3.91Å; Y220-F279 WeakPolarHBondContact OH-CZ 3.05Å; S277-F279 PolarHBondContact O-N 2.61Å; S277-F279 VanDerWaalsContact O-N 3.16Å; F279-L281 PolarHBondContact O-N 3.11Å; F279-F282 PolarHBondContact O-N 3.15Å; F279-C283 HydrophobicContact CD1-CB 4.02Å; F279-C283 HydrophobicContact CE1-CB 3.64Å; F279-C283 HydrophobicContact CZ-CB 3.96Å; F279-C283 WeakPolarHBondContact O-CB 3.49Å; F279-C283 PolarHBondContact O-N 3.1Å; F279-F286 HydrophobicContact CE2-CE2 4.32Å; F279-F286 AromaticContact CE2-CZ 3.93Å; F279-F286 HydrophobicContact CE2-CZ 3.93Å
280L83.3Confident85.3Confident40 Ų4050.1 Ų50.121%0.20925%0.248CC..Hα-helixtrans-62-29.5179-64.5178.6000112.3L188 F191 S277 P278 F282 C283L188-L280 HydrophobicContact CB-CD2 4.43Å; F191-L280 HydrophobicContact CB-CD1 3.67Å; F191-L280 HydrophobicContact CD1-CD1 3.88Å; F191-L280 HydrophobicContact CD2-CD1 4.31Å; F191-L280 HydrophobicContact CG-CD1 3.69Å; S277-L280 WeakPolarHBondContact O-CB 3.33Å; S277-L280 PolarHBondContact O-N 3.37Å; S277-L280 VanDerWaalsContact O-N 3.08Å; P278-L280 VanDerWaalsContact C-N 3.34Å; P278-L280 PolarHBondContact O-N 3.3Å; L280-F282 VanDerWaalsContact C-N 3.26Å; L280-F282 PolarHBondContact O-N 3.45Å; L280-C283 PolarHBondContact O-SG 3.04Å; L280-C283 VanDerWaalsContact O-SG 3.39Å
281L81.6Confident84.7Confident122 Ų12250 Ų5064%0.63925%0.246SC*.Hα-helixtrans-72.5-19.5177.1-59.8177.1000113P278 F279 W284P278-L281 PolarHBondContact O-N 3.05Å; F279-L281 PolarHBondContact O-N 3.11Å; L281-W284 PolarHBondContact O-NE1 3.11Å
282F80.1Confident84.3Confident122 Ų12248.2 Ų48.254%0.53524%0.236SC..Hα-helixtrans-114.8-18.6-175.8-65.6-70.8000113.9P278 F279 L280 W284 K285 F286P278-F282 WeakPolarHBondContact O-CD2 3.32Å; F279-F282 PolarHBondContact O-N 3.15Å; L280-F282 VanDerWaalsContact C-N 3.26Å; L280-F282 PolarHBondContact O-N 3.45Å; F282-W284 PolarHBondContact O-N 3.01Å; F282-K285 PolarHBondContact O-N 3.4Å; F282-K285 VanDerWaalsContact O-N 3.14Å; F282-F286 WeakPolarHBondContact O-CD2 3.39Å
283C80.8Confident83.9Confident12 Ų1248.5 Ų48.58%0.08124%0.237CC..Hα-helixtrans-63-34.7-171.867.50000114.5M184 F279 L280 K285 F286M184-C283 HydrophobicContact CG-CB 4.15Å; F279-C283 HydrophobicContact CD1-CB 4.02Å; F279-C283 HydrophobicContact CE1-CB 3.64Å; F279-C283 HydrophobicContact CZ-CB 3.96Å; F279-C283 WeakPolarHBondContact O-CB 3.49Å; F279-C283 PolarHBondContact O-N 3.1Å; L280-C283 PolarHBondContact O-SG 3.04Å; L280-C283 VanDerWaalsContact O-SG 3.39Å; C283-K285 PolarHBondContact O-N 3.28Å; C283-K285 VanDerWaalsContact O-N 3.13Å; C283-F286 WeakPolarHBondContact O-CB 3.33Å; C283-F286 WeakPolarHBondContact O-CD2 3.41Å; C283-F286 PolarHBondContact O-N 2.93Å; C283-F286 VanDerWaalsContact O-N 3.1Å
284W81.3Confident83.3Confident184 Ų18449.5 Ų49.570%0.69724%0.242SC*.THydrogen-bonded Turntrans-59.5-18.8174.964.6-42.8000115.4L281 F282L281-W284 PolarHBondContact O-NE1 3.11Å; F282-W284 PolarHBondContact O-N 3.01Å
285K84.3Confident82.8Confident159 Ų15949.3 Ų49.369%0.69125%0.254SS*.THydrogen-bonded Turntrans-89.4-0.9177.5-66.9-170.1176.9-1750113.6F282 C283F282-K285 PolarHBondContact O-N 3.4Å; F282-K285 VanDerWaalsContact O-N 3.14Å; C283-K285 PolarHBondContact O-N 3.28Å; C283-K285 VanDerWaalsContact O-N 3.13Å
286F85.8Confident82.6Confident22 Ų2252.1 Ų52.110%0.09626%0.26CS..PPolyproline II helixtrans-74.2127.7-176.1-83.1-122.1000110.8L22 A25 A26 V180 Y227 F279 F282 C283L22-F286 HydrophobicContact CD2-CD1 4.07Å; L22-F286 HydrophobicContact CD2-CD2 4.48Å; L22-F286 HydrophobicContact CD2-CE1 4.18Å; L22-F286 HydrophobicContact CD2-CG 4.23Å; L22-F286 HydrophobicContact CD2-CZ 4.46Å; A25-F286 HydrophobicContact CB-CE2 4.11Å; A25-F286 HydrophobicContact CB-CZ 3.58Å; A26-F286 HydrophobicContact CB-CE1 4.12Å; V180-F286 HydrophobicContact CG1-CB 3.9Å; V180-F286 HydrophobicContact CG2-CB 4.15Å; Y227-F286 AromaticContact CE1-CD1 3.75Å; Y227-F286 HydrophobicContact CE1-CD1 3.75Å; Y227-F286 HydrophobicContact CE1-CE1 4.05Å; Y227-F286 AromaticContact CZ-CD1 3.72Å; Y227-F286 WeakPolarHBondContact OH-CD1 3.3Å; F279-F286 HydrophobicContact CE2-CE2 4.32Å; F279-F286 AromaticContact CE2-CZ 3.93Å; F279-F286 HydrophobicContact CE2-CZ 3.93Å; F282-F286 WeakPolarHBondContact O-CD2 3.39Å; C283-F286 WeakPolarHBondContact O-CB 3.33Å; C283-F286 WeakPolarHBondContact O-CD2 3.41Å; C283-F286 PolarHBondContact O-N 2.93Å; C283-F286 VanDerWaalsContact O-N 3.1Å
287P88.4Confident82.6Confident28 Ų2853.9 Ų53.918%0.18228%0.279CS..PPolyproline II helixtrans-76148.5171.833.2-35.7000110.6F18 L22 V180 Y227 F231 L305F18-P287 HydrophobicContact CE1-CG 4.3Å; F18-P287 HydrophobicContact CZ-CG 3.99Å; L22-P287 HydrophobicContact CD1-CG 3.84Å; L22-P287 HydrophobicContact CD2-CG 4.47Å; V180-P287 WeakPolarHBondContact CG2-O 3.22Å; Y227-P287 WeakPolarHBondContact CE2-O 3.33Å; Y227-P287 PolarHBondContact OH-O 2.99Å; F231-P287 HydrophobicContact CZ-CG 4.13Å; P287-L305 HydrophobicContact CB-CD1 3.51Å; P287-L305 HydrophobicContact CB-CD2 4.5Å; P287-L305 HydrophobicContact CG-CD1 4.03Å
288E89.2Confident82.7Confident30 Ų3057.1 Ų57.114%0.1429%0.285CS..PPolyproline II helixtrans-64.2156.6170-162.761.1-99.600110.7G178 R179 V180 Y292 L293 L305G178-E288 WeakPolarHBondContact CA-OE2 3.5Å; R179-E288 WeakPolarHBondContact CA-OE1 3.5Å; R179-E288 WeakPolarHBondContact CB-OE1 3.47Å; R179-E288 PolarHBondContact N-OE1 3.04Å; R179-E288 PolarHBondContact N-OE2 3.08Å; V180-E288 PolarHBondContact N-OE1 3.34Å; V180-E288 PolarHBondContact N-OE2 3.26Å; E288-Y292 HydrophobicContact CG-CD1 3.43Å; E288-Y292 VanDerWaalsContact CG-CD1 3.43Å; E288-Y292 HydrophobicContact CG-CE1 4.13Å; E288-Y292 HydrophobicContact CG-CG 4.08Å; E288-L293 HydrophobicContact CB-CD2 4.41Å; E288-L293 HydrophobicContact CB-CG 4.4Å; E288-L293 HydrophobicContact CG-CD2 4.39Å; E288-L293 HydrophobicContact CG-CG 4.44Å; E288-L305 WeakPolarHBondContact O-CD2 3.48Å
289T86.3Confident82.6Confident0 Ų058.8 Ų58.80%029%0.285CS..PPolyproline II helixtrans-72.1143.4-176.666.70000111.4Y227 E230 F231 F291 Y292 L293Y227-T289 HydrophobicContact CD2-CG2 3.49Å; Y227-T289 VanDerWaalsContact CD2-CG2 3.49Å; Y227-T289 HydrophobicContact CE2-CG2 3.82Å; Y227-T289 HydrophobicContact CG-CG2 4.33Å; E230-T289 HydrophobicContact CB-CG2 3.95Å; E230-T289 WeakPolarHBondContact OE2-CB 3.33Å; E230-T289 WeakPolarHBondContact OE2-CG2 3.4Å; E230-T289 PolarHBondContact OE2-OG1 3.11Å; F231-T289 HydrophobicContact CD2-CG2 4.01Å; F231-T289 HydrophobicContact CE2-CG2 3.58Å; F231-T289 HydrophobicContact CZ-CG2 4.49Å; T289-F291 PolarHBondContact O-N 3.19Å; T289-Y292 PolarHBondContact O-N 3.04Å; T289-Y292 VanDerWaalsContact OG1-CB 3.22Å; T289-Y292 WeakPolarHBondContact OG1-CB 3.44Å; T289-Y292 PolarHBondContact OG1-N 3.45Å; T289-L293 WeakPolarHBondContact O-CG 3.48Å; T289-L293 PolarHBondContact O-N 3.44Å
290P81.9Confident82.7Confident1 Ų167 Ų671%0.00632%0.324CS..Hα-helixtrans-60.5-34.3178.823.9-33000111.5M8 L293 M294 L305M8-P290 HydrophobicContact CE-CG 4.07Å; M8-P290 HydrophobicContact SD-CB 4.37Å; M8-P290 HydrophobicContact SD-CG 4.29Å; P290-L293 PolarHBondContact O-N 2.85Å; P290-M294 HydrophobicContact CB-CE 4.43Å; P290-M294 WeakPolarHBondContact O-CE 3.46Å; P290-M294 WeakPolarHBondContact O-CG 3.34Å; P290-M294 PolarHBondContact O-N 3.44Å; P290-L305 HydrophobicContact CB-CD2 4.32Å
291F80.1Confident82.8Confident38 Ų3869.3 Ų69.317%0.16733%0.334CS..Hα-helixtrans-66-42.5177.5-64.6-59.8000113.4V5 M8 F9 E230 T289 L293 M294 A295V5-F291 HydrophobicContact CB-CE1 4.09Å; V5-F291 HydrophobicContact CG1-CD1 4.16Å; V5-F291 HydrophobicContact CG1-CE1 3.11Å; V5-F291 HydrophobicContact CG1-CE2 4.32Å; V5-F291 HydrophobicContact CG1-CZ 3.22Å; V5-F291 HydrophobicContact CG2-CE1 3.96Å; M8-F291 HydrophobicContact CE-CE1 4.49Å; M8-F291 HydrophobicContact CE-CE2 4.04Å; M8-F291 HydrophobicContact CE-CZ 3.65Å; M8-F291 HydrophobicContact SD-CZ 4.43Å; F9-F291 AromaticContact CE2-CE2 3.97Å; F9-F291 HydrophobicContact CE2-CE2 3.97Å; F9-F291 AromaticContact CE2-CZ 3.86Å; F9-F291 HydrophobicContact CE2-CZ 3.86Å; F9-F291 AromaticContact CZ-CE2 3.9Å; F9-F291 HydrophobicContact CZ-CE2 3.9Å; F9-F291 HydrophobicContact CZ-CZ 4.15Å; E230-F291 HydrophobicContact CB-CD2 3.83Å; E230-F291 HydrophobicContact CB-CE2 4.5Å; E230-F291 HydrophobicContact CG-CD2 3.94Å; E230-F291 WeakPolarHBondContact O-CD2 3.4Å; E230-F291 WeakPolarHBondContact O-CE2 3.21Å; T289-F291 PolarHBondContact O-N 3.19Å; F291-L293 VanDerWaalsContact C-N 3.32Å; F291-L293 PolarHBondContact O-N 2.71Å; F291-M294 HydrophobicContact CD1-CE 3.52Å; F291-M294 HydrophobicContact CE1-CE 3.73Å; F291-M294 HydrophobicContact CG-CE 4.37Å; F291-M294 PolarHBondContact O-N 2.88Å; F291-A295 VanDerWaalsContact O-CB 3.28Å; F291-A295 WeakPolarHBondContact O-CB 3.46Å; F291-A295 PolarHBondContact O-N 3.1Å
292Y82.9Confident82.9Confident19 Ų1963.5 Ų63.58%0.07530%0.303CS..Hα-helixtrans-59.4-46.5174.5-178.8-100.6000111.3R176 I177 G178 R179 E288 T289 A295 K296R176-Y292 PolarHBondContact O-OH 3.49Å; I177-Y292 VanDerWaalsContact C-OH 3.22Å; I177-Y292 PolarHBondContact O-OH 3.36Å; G178-Y292 VanDerWaalsContact CA-CZ 3.48Å; G178-Y292 PolarHBondContact N-OH 3.49Å; R179-Y292 VanDerWaalsContact NH1-CB 3.3Å; E288-Y292 HydrophobicContact CG-CD1 3.43Å; E288-Y292 VanDerWaalsContact CG-CD1 3.43Å; E288-Y292 HydrophobicContact CG-CE1 4.13Å; E288-Y292 HydrophobicContact CG-CG 4.08Å; T289-Y292 PolarHBondContact O-N 3.04Å; T289-Y292 VanDerWaalsContact OG1-CB 3.22Å; T289-Y292 WeakPolarHBondContact OG1-CB 3.44Å; T289-Y292 PolarHBondContact OG1-N 3.45Å; Y292-A295 PolarHBondContact O-N 3.14Å; Y292-K296 HydrophobicContact CD1-CG 4.4Å; Y292-K296 HydrophobicContact CE1-CG 3.96Å; Y292-K296 HydrophobicContact CE2-CG 4.08Å; Y292-K296 WeakPolarHBondContact O-CG 3.29Å; Y292-K296 PolarHBondContact O-N 3.34Å; Y292-K296 WeakPolarHBondContact OH-CE 3.26Å
293L82.6Confident83Confident6 Ų659.7 Ų59.73%0.03129%0.287CS..Hα-helixtrans-63.9-43.8-177.9-66.5173000111.7E288 T289 P290 F291 K296 G297 R298 E301 A302 L305E288-L293 HydrophobicContact CB-CD2 4.41Å; E288-L293 HydrophobicContact CB-CG 4.4Å; E288-L293 HydrophobicContact CG-CD2 4.39Å; E288-L293 HydrophobicContact CG-CG 4.44Å; T289-L293 WeakPolarHBondContact O-CG 3.48Å; T289-L293 PolarHBondContact O-N 3.44Å; P290-L293 PolarHBondContact O-N 2.85Å; F291-L293 VanDerWaalsContact C-N 3.32Å; F291-L293 PolarHBondContact O-N 2.71Å; L293-K296 PolarHBondContact O-N 3.43Å; L293-G297 PolarHBondContact O-N 3.29Å; L293-R298 HydrophobicContact CD2-CB 4.3Å; L293-R298 PolarHBondContact O-N 3.43Å; L293-E301 HydrophobicContact CD1-CB 4.3Å; L293-E301 HydrophobicContact CD2-CB 4.37Å; L293-A302 HydrophobicContact CB-CB 3.89Å; L293-L305 HydrophobicContact CD1-CD2 4.09Å
294M79.3Confident83.3Confident21 Ų2161.6 Ų61.610%0.10330%0.304CS..Hα-helixtrans-64-43.5175.1-71.4-174.9-68.700112.1P290 F291 K296 G297 A302 L324P290-M294 HydrophobicContact CB-CE 4.43Å; P290-M294 WeakPolarHBondContact O-CE 3.46Å; P290-M294 WeakPolarHBondContact O-CG 3.34Å; P290-M294 PolarHBondContact O-N 3.44Å; F291-M294 HydrophobicContact CD1-CE 3.52Å; F291-M294 HydrophobicContact CE1-CE 3.73Å; F291-M294 HydrophobicContact CG-CE 4.37Å; F291-M294 PolarHBondContact O-N 2.88Å; M294-K296 VanDerWaalsContact C-N 3.28Å; M294-K296 PolarHBondContact O-N 3.34Å; M294-G297 PolarHBondContact O-N 2.86Å; M294-G297 VanDerWaalsContact O-N 3.08Å; M294-A302 HydrophobicContact CG-CB 4.03Å; M294-L324 HydrophobicContact SD-CB 4.4Å; M294-L324 HydrophobicContact SD-CD1 4.11Å
295A78.7Confident83.5Confident88 Ų8853.8 Ų53.873%0.72728%0.275SS*.Hα-helixtrans-64.8-30.2178.600000113F291 Y292 G297F291-A295 VanDerWaalsContact O-CB 3.28Å; F291-A295 WeakPolarHBondContact O-CB 3.46Å; F291-A295 PolarHBondContact O-N 3.1Å; Y292-A295 PolarHBondContact O-N 3.14Å; A295-G297 VanDerWaalsContact C-N 3.32Å
296K80.8Confident83.4Confident109 Ų10946.3 Ų46.347%0.47424%0.243SC..THydrogen-bonded Turntrans-84.90.4174.6-70.7-66.4-170.41790114R176 Y292 L293 M294 R298R176-K296 PolarHBondContact O-NZ 3.38Å; Y292-K296 HydrophobicContact CD1-CG 4.4Å; Y292-K296 HydrophobicContact CE1-CG 3.96Å; Y292-K296 HydrophobicContact CE2-CG 4.08Å; Y292-K296 WeakPolarHBondContact O-CG 3.29Å; Y292-K296 PolarHBondContact O-N 3.34Å; Y292-K296 WeakPolarHBondContact OH-CE 3.26Å; L293-K296 PolarHBondContact O-N 3.43Å; M294-K296 VanDerWaalsContact C-N 3.28Å; M294-K296 PolarHBondContact O-N 3.34Å; K296-R298 VanDerWaalsContact C-N 3.29Å; K296-R298 HydrophobicContact CB-CG 4.4Å; K296-R298 PolarHBondContact O-N 2.73Å
297G79.2Confident83.3Confident37 Ų3747.5 Ų47.538%0.38125%0.25SS..THydrogen-bonded Turntrans73.614.7-17800000114.7L293 M294 A295 Y299L293-G297 PolarHBondContact O-N 3.29Å; M294-G297 PolarHBondContact O-N 2.86Å; M294-G297 VanDerWaalsContact O-N 3.08Å; A295-G297 VanDerWaalsContact C-N 3.32Å; G297-Y299 VanDerWaalsContact C-N 3.28Å; G297-Y299 WeakPolarHBondContact O-CD2 3.39Å; G297-Y299 PolarHBondContact O-N 3.5Å; G297-Y299 VanDerWaalsContact O-N 3.11Å
298R84.6Confident83.1Confident106 Ų10648.5 Ų48.540%0.426%0.256SS..  trans-87.762.5179.4-65.7173.175.4-168.89.6110.6L293 K296 Q300 E301 A302L293-R298 HydrophobicContact CD2-CB 4.3Å; L293-R298 PolarHBondContact O-N 3.43Å; K296-R298 VanDerWaalsContact C-N 3.29Å; K296-R298 HydrophobicContact CB-CG 4.4Å; K296-R298 PolarHBondContact O-N 2.73Å; R298-Q300 PolarHBondContact O-N 3.3Å; R298-E301 IonicContact CZ-OE1 3.09Å; R298-E301 IonicContact CZ-OE2 3.57Å; R298-E301 VanDerWaalsContact NE-CD 3.31Å; R298-E301 IonicContact NE-OE1 3.63Å; R298-E301 PolarHBondContact NE-OE1 2.92Å; R298-E301 IonicContact NE-OE2 3.81Å; R298-E301 PolarHBondContact NE-OE2 3.02Å; R298-E301 IonicContact NH1-OE2 2.73Å; R298-E301 IonicContact NH2-OE1 3.1Å; R298-E301 PolarHBondContact NH2-OE1 2.99Å; R298-E301 IonicContact NH2-OE2 3.26Å; R298-E301 PolarHBondContact NH2-OE2 3.16Å; R298-E301 PolarHBondContact O-N 2.65Å; R298-A302 PolarHBondContact O-N 2.85Å; R298-A302 VanDerWaalsContact O-N 3.11Å
299Y82.1Confident82.8Confident86 Ų8647.5 Ų47.534%0.33725%0.251SS..Hα-helixtrans-64.9-36.4-171.2-57.3-62000114.2G297 E301 A302 Q303 L325G297-Y299 VanDerWaalsContact C-N 3.28Å; G297-Y299 WeakPolarHBondContact O-CD2 3.39Å; G297-Y299 PolarHBondContact O-N 3.5Å; G297-Y299 VanDerWaalsContact O-N 3.11Å; Y299-E301 VanDerWaalsContact C-N 3.35Å; Y299-E301 PolarHBondContact O-N 3.45Å; Y299-A302 PolarHBondContact O-N 3.49Å; Y299-Q303 WeakPolarHBondContact O-CB 3.4Å; Y299-Q303 PolarHBondContact O-N 3.38Å; Y299-L325 HydrophobicContact CD1-CD1 4.36Å; Y299-L325 HydrophobicContact CE1-CD1 3.44Å; Y299-L325 VanDerWaalsContact CE1-CD1 3.44Å
300Q83.9Confident82.6Confident178 Ų17847.5 Ų47.583%0.83225%0.251SS*.Hα-helixtrans-63.3-41.2178.8-67.6-178.6-9.700112.2R298 Q303 A304R298-Q300 PolarHBondContact O-N 3.3Å; Q300-Q303 PolarHBondContact O-N 3.17Å; Q300-A304 WeakPolarHBondContact O-CB 3.49Å; Q300-A304 PolarHBondContact O-N 3.41Å
301E84.6Confident82.7Confident88 Ų8856 Ų5641%0.41128%0.284SS..Hα-helixtrans-72-38177.5-66.8-179.6-139.900111.9L293 R298 Y299 Q303 A304 L305L293-E301 HydrophobicContact CD1-CB 4.3Å; L293-E301 HydrophobicContact CD2-CB 4.37Å; R298-E301 IonicContact CZ-OE1 3.09Å; R298-E301 IonicContact CZ-OE2 3.57Å; R298-E301 VanDerWaalsContact NE-CD 3.31Å; R298-E301 IonicContact NE-OE1 3.63Å; R298-E301 PolarHBondContact NE-OE1 2.92Å; R298-E301 IonicContact NE-OE2 3.81Å; R298-E301 PolarHBondContact NE-OE2 3.02Å; R298-E301 IonicContact NH1-OE2 2.73Å; R298-E301 IonicContact NH2-OE1 3.1Å; R298-E301 PolarHBondContact NH2-OE1 2.99Å; R298-E301 IonicContact NH2-OE2 3.26Å; R298-E301 PolarHBondContact NH2-OE2 3.16Å; R298-E301 PolarHBondContact O-N 2.65Å; Y299-E301 VanDerWaalsContact C-N 3.35Å; Y299-E301 PolarHBondContact O-N 3.45Å; E301-Q303 VanDerWaalsContact C-N 3.32Å; E301-A304 PolarHBondContact O-N 2.96Å; E301-L305 WeakPolarHBondContact O-CB 3.38Å; E301-L305 PolarHBondContact O-N 2.71Å
302A83.4Confident82.8Confident0 Ų060.4 Ų60.40%030%0.303CS..Hα-helixtrans-59.7-44.8172.400000110.8L293 M294 R298 Y299 L305 L306 A321L293-A302 HydrophobicContact CB-CB 3.89Å; M294-A302 HydrophobicContact CG-CB 4.03Å; R298-A302 PolarHBondContact O-N 2.85Å; R298-A302 VanDerWaalsContact O-N 3.11Å; Y299-A302 PolarHBondContact O-N 3.49Å; A302-L305 PolarHBondContact O-N 2.86Å; A302-L306 VanDerWaalsContact O-CG 3.3Å; A302-L306 WeakPolarHBondContact O-CG 3.33Å; A302-L306 PolarHBondContact O-N 3.31Å; A302-A321 HydrophobicContact CB-CB 4.39Å
303Q82.7Confident82.8Confident42 Ų4260.7 Ų60.720%0.19631%0.305CS..Hα-helixtrans-62.6-48.1176.4-170.66534.600111.8Y299 Q300 E301 L305 L306 D307 L319 A321Y299-Q303 WeakPolarHBondContact O-CB 3.4Å; Y299-Q303 PolarHBondContact O-N 3.38Å; Q300-Q303 PolarHBondContact O-N 3.17Å; E301-Q303 VanDerWaalsContact C-N 3.32Å; Q303-L305 PolarHBondContact O-N 3.43Å; Q303-L306 PolarHBondContact O-N 2.95Å; Q303-L306 VanDerWaalsContact O-N 3.11Å; Q303-D307 PolarHBondContact NE2-OD1 3.42Å; Q303-D307 VanDerWaalsContact NE2-OD1 3.1Å; Q303-D307 PolarHBondContact O-N 3.3Å; Q303-L319 PolarHBondContact NE2-O 3.31Å; Q303-L319 VanDerWaalsContact NE2-O 3.12Å; Q303-A321 HydrophobicContact CB-CB 4.4Å
304A86.6Confident82.5Confident52 Ų5263.7 Ų63.743%0.4334%0.338SS..Hα-helixtrans-60.1-35.3178.800000112.5Q300 E301 T308Q300-A304 WeakPolarHBondContact O-CB 3.49Å; Q300-A304 PolarHBondContact O-N 3.41Å; E301-A304 PolarHBondContact O-N 2.96Å; A304-T308 WeakPolarHBondContact O-CB 3.37Å; A304-T308 PolarHBondContact O-N 2.73Å; A304-T308 VanDerWaalsContact O-N 3.08Å; A304-T308 PolarHBondContact O-OG1 3.4Å
305L85.4Confident82.3Confident19 Ų1965.8 Ų65.810%0.09935%0.349CS..Hα-helixtrans-67.2-48.6173177.662000111.5P287 E288 P290 L293 E301 A302 Q303 D307 T308 I309P287-L305 HydrophobicContact CB-CD1 3.51Å; P287-L305 HydrophobicContact CB-CD2 4.5Å; P287-L305 HydrophobicContact CG-CD1 4.03Å; E288-L305 WeakPolarHBondContact O-CD2 3.48Å; P290-L305 HydrophobicContact CB-CD2 4.32Å; L293-L305 HydrophobicContact CD1-CD2 4.09Å; E301-L305 WeakPolarHBondContact O-CB 3.38Å; E301-L305 PolarHBondContact O-N 2.71Å; A302-L305 PolarHBondContact O-N 2.86Å; Q303-L305 PolarHBondContact O-N 3.43Å; L305-D307 VanDerWaalsContact C-N 3.29Å; L305-D307 PolarHBondContact O-N 3.15Å; L305-T308 WeakPolarHBondContact O-CB 3.33Å; L305-T308 PolarHBondContact O-N 3.25Å; L305-T308 VanDerWaalsContact O-N 3.11Å; L305-I309 HydrophobicContact CD1-CD1 4.28Å; L305-I309 HydrophobicContact CD1-CG1 4.44Å; L305-I309 HydrophobicContact CG-CD1 4.01Å; L305-I309 WeakPolarHBondContact O-CG1 3.33Å; L305-I309 PolarHBondContact O-N 3.12Å
306L83.4Confident81.7Confident2 Ų268.2 Ų68.21%0.0135%0.346CS..Hα-helixtrans-58.4-42.1176.7-69.8173.9000111.5M8 Y12 A302 Q303 T308 I309 A310 A321 L324M8-L306 HydrophobicContact CG-CD2 4.09Å; M8-L306 HydrophobicContact SD-CD2 3.68Å; Y12-L306 HydrophobicContact CD2-CD2 4.32Å; Y12-L306 HydrophobicContact CE2-CD2 4.04Å; A302-L306 VanDerWaalsContact O-CG 3.3Å; A302-L306 WeakPolarHBondContact O-CG 3.33Å; A302-L306 PolarHBondContact O-N 3.31Å; Q303-L306 PolarHBondContact O-N 2.95Å; Q303-L306 VanDerWaalsContact O-N 3.11Å; L306-T308 VanDerWaalsContact C-N 3.28Å; L306-T308 PolarHBondContact O-N 3Å; L306-I309 WeakPolarHBondContact O-CB 3.12Å; L306-I309 PolarHBondContact O-N 3.22Å; L306-A310 PolarHBondContact O-N 3.5Å; L306-A321 HydrophobicContact CD1-CB 4.37Å; L306-L324 HydrophobicContact CD1-CD1 4.34Å
307D83.3Confident80.7Confident47 Ų4766 Ų6625%0.25134%0.343SS..Hα-helixtrans-64.5-35.2176.7-65.2-21.1000112.1Q303 L305 R311 C317Q303-D307 PolarHBondContact NE2-OD1 3.42Å; Q303-D307 VanDerWaalsContact NE2-OD1 3.1Å; Q303-D307 PolarHBondContact O-N 3.3Å; L305-D307 VanDerWaalsContact C-N 3.29Å; L305-D307 PolarHBondContact O-N 3.15Å; D307-R311 WeakPolarHBondContact O-CB 3.38Å; D307-R311 VanDerWaalsContact O-CG 3.25Å; D307-R311 WeakPolarHBondContact O-CG 3.5Å; D307-R311 PolarHBondContact O-N 3.4Å; D307-R311 PolarHBondContact O-NE 2.91Å; D307-C317 VanDerWaalsContact CA-SG 3.56Å; D307-C317 PolarHBondContact OD1-SG 3.16Å
308T84.3Confident79.8Confident49 Ų4973 Ų7330%0.30136%0.358SS..Hα-helixtrans-68.8-42.1174.5-58.40000111.1A304 L305 L306 R311 F312A304-T308 WeakPolarHBondContact O-CB 3.37Å; A304-T308 PolarHBondContact O-N 2.73Å; A304-T308 VanDerWaalsContact O-N 3.08Å; A304-T308 PolarHBondContact O-OG1 3.4Å; L305-T308 WeakPolarHBondContact O-CB 3.33Å; L305-T308 PolarHBondContact O-N 3.25Å; L305-T308 VanDerWaalsContact O-N 3.11Å; L306-T308 VanDerWaalsContact C-N 3.28Å; L306-T308 PolarHBondContact O-N 3Å; T308-R311 PolarHBondContact O-N 3.13Å; T308-R311 PolarHBondContact OG1-NH2 3.06Å; T308-R311 VanDerWaalsContact OG1-NH2 3.16Å; T308-F312 WeakPolarHBondContact O-CB 3.38Å; T308-F312 PolarHBondContact O-N 3.15Å
309I83.4Confident78.8Confident9 Ų968.7 Ų68.75%0.04634%0.343CS..Hα-helixtrans-60.8-45.6174.6-66.1165.7000110.4F18 F231 L305 L306 F312 N313F18-I309 HydrophobicContact CD1-CG1 3.71Å; F18-I309 HydrophobicContact CE1-CD1 4.27Å; F18-I309 HydrophobicContact CE1-CG1 3.59Å; F18-I309 HydrophobicContact CG-CG1 4.43Å; F18-I309 HydrophobicContact CZ-CG1 4.25Å; F231-I309 HydrophobicContact CE1-CD1 4.35Å; L305-I309 HydrophobicContact CD1-CD1 4.28Å; L305-I309 HydrophobicContact CD1-CG1 4.44Å; L305-I309 HydrophobicContact CG-CD1 4.01Å; L305-I309 WeakPolarHBondContact O-CG1 3.33Å; L305-I309 PolarHBondContact O-N 3.12Å; L306-I309 WeakPolarHBondContact O-CB 3.12Å; L306-I309 PolarHBondContact O-N 3.22Å; I309-F312 PolarHBondContact O-N 3.24Å; I309-N313 VanDerWaalsContact O-CB 3.29Å; I309-N313 WeakPolarHBondContact O-CB 3.5Å; I309-N313 PolarHBondContact O-N 3.03Å; I309-N313 PolarHBondContact O-ND2 3.19Å
310A81.7Confident78Confident0 Ų070.4 Ų70.40%035%0.352CS..Hα-helixtrans-60-50.5178.900000111.5Y12 L306 F312 N313 G314 L315 C317Y12-A310 HydrophobicContact CD1-CB 4.06Å; Y12-A310 HydrophobicContact CE1-CB 3.61Å; L306-A310 PolarHBondContact O-N 3.5Å; A310-F312 VanDerWaalsContact C-N 3.34Å; A310-F312 PolarHBondContact O-N 2.72Å; A310-N313 CarbonylContact O-C 3.52Å; A310-N313 PolarHBondContact O-N 3.34Å; A310-G314 PolarHBondContact O-N 3.41Å; A310-L315 PolarHBondContact O-N 3.03Å; A310-C317 WeakPolarHBondContact CB-SG 3.29Å
311R83.7Confident76.9Confident181 Ų18162 Ų6268%0.68331%0.313SS*.Hα-helixtrans-58.8-44.4178.2-75-177.9-66.8178.81.9112D307 T308 N313 G314D307-R311 WeakPolarHBondContact O-CB 3.38Å; D307-R311 VanDerWaalsContact O-CG 3.25Å; D307-R311 WeakPolarHBondContact O-CG 3.5Å; D307-R311 PolarHBondContact O-N 3.4Å; D307-R311 PolarHBondContact O-NE 2.91Å; T308-R311 PolarHBondContact O-N 3.13Å; T308-R311 PolarHBondContact OG1-NH2 3.06Å; T308-R311 VanDerWaalsContact OG1-NH2 3.16Å; R311-N313 VanDerWaalsContact C-N 3.32Å; R311-N313 PolarHBondContact O-N 3.15Å; R311-G314 PolarHBondContact O-N 3.49Å
312F82.1Confident75.6Confident129 Ų12963.9 Ų63.957%0.56632%0.322SS*.Hα-helixtrans-70.9-28.9-179-138.7-93.3000113F18 T308 I309 A310F18-F312 HydrophobicContact CB-CB 4.14Å; F18-F312 HydrophobicContact CB-CD1 4.03Å; F18-F312 HydrophobicContact CB-CG 4.4Å; F18-F312 HydrophobicContact CD2-CB 3.97Å; F18-F312 AromaticContact CD2-CD1 3.92Å; F18-F312 HydrophobicContact CD2-CD1 3.92Å; F18-F312 HydrophobicContact CD2-CD2 4.43Å; F18-F312 AromaticContact CD2-CG 3.86Å; F18-F312 HydrophobicContact CD2-CG 3.86Å; F18-F312 HydrophobicContact CG-CB 4.43Å; T308-F312 WeakPolarHBondContact O-CB 3.38Å; T308-F312 PolarHBondContact O-N 3.15Å; I309-F312 PolarHBondContact O-N 3.24Å; A310-F312 VanDerWaalsContact C-N 3.34Å; A310-F312 PolarHBondContact O-N 2.72Å
313N82.4Confident74.7Confident25 Ų2567 Ų6713%0.13434%0.338CS..Hα-helixtrans-88.5-5.3175.7-70.2-19.1000113.4Y12 K16 R17 F18 I309 A310 R311 L315Y12-N313 PolarHBondContact O-ND2 3.19Å; K16-N313 HydrophobicContact CB-CB 4.22Å; K16-N313 VanDerWaalsContact CB-CG 3.43Å; K16-N313 WeakPolarHBondContact CB-ND2 3.41Å; K16-N313 VanDerWaalsContact CB-OD1 3.31Å; K16-N313 WeakPolarHBondContact CB-OD1 3.36Å; R17-N313 PolarHBondContact N-OD1 3.23Å; F18-N313 PolarHBondContact N-OD1 2.87Å; I309-N313 VanDerWaalsContact O-CB 3.29Å; I309-N313 WeakPolarHBondContact O-CB 3.5Å; I309-N313 PolarHBondContact O-N 3.03Å; I309-N313 PolarHBondContact O-ND2 3.19Å; A310-N313 CarbonylContact O-C 3.52Å; A310-N313 PolarHBondContact O-N 3.34Å; R311-N313 VanDerWaalsContact C-N 3.32Å; R311-N313 PolarHBondContact O-N 3.15Å; N313-L315 HydrophobicContact CB-CD1 3.92Å; N313-L315 HydrophobicContact CB-CG 4.19Å
314G76.4Confident73.6Confident70 Ų7066.5 Ų66.572%0.72234%0.337SS*.THydrogen-bonded Turntrans70.131.3-17800000113.9A310 R311A310-G314 PolarHBondContact O-N 3.41Å; R311-G314 PolarHBondContact O-N 3.49Å
315L75.8Confident72.1Confident64 Ų6467.9 Ų67.934%0.33534%0.337SS..  trans-107.3148.1-178.6-63.9167.5000110.7Y12 A310 N313Y12-L315 VanDerWaalsContact O-CD1 3.32Å; Y12-L315 WeakPolarHBondContact O-CD1 3.31Å; A310-L315 PolarHBondContact O-N 3.03Å; N313-L315 HydrophobicContact CB-CD1 3.92Å; N313-L315 HydrophobicContact CB-CG 4.19Å
316E66.7Low70.3Confident139 Ų13971.7 Ų71.765%0.6535%0.354SS*.  trans-72.8130.1172.4-70.1-177.6168.800110.6R318E316-R318 HydrophobicContact CB-CG 4.4Å; E316-R318 PolarHBondContact O-N 3.35Å; E316-R318 VanDerWaalsContact O-N 3.07Å; E316-R318 IonicContact OE2-CZ 3.12Å; E316-R318 IonicContact OE2-NE 2.95Å; E316-R318 PolarHBondContact OE2-NE 3Å; E316-R318 IonicContact OE2-NH2 3.22Å; E316-R318 PolarHBondContact OE2-NH2 3.07Å
317C59.7Low68.2Low62 Ų6276 Ų7642%0.41938%0.382SS..  trans-68.4101.8172.7-71.70000110.6D307 A310D307-C317 VanDerWaalsContact CA-SG 3.56Å; D307-C317 PolarHBondContact OD1-SG 3.16Å; A310-C317 WeakPolarHBondContact CB-SG 3.29Å
318R59.5Low66.1Low185 Ų18582.5 Ų82.570%0.69841%0.413SS*.  trans-109.2-21.1176.5-66.9-175.6-179.3-174.6-0.4114.1E316E316-R318 HydrophobicContact CB-CG 4.4Å; E316-R318 PolarHBondContact O-N 3.35Å; E316-R318 VanDerWaalsContact O-N 3.07Å; E316-R318 IonicContact OE2-CZ 3.12Å; E316-R318 IonicContact OE2-NE 2.95Å; E316-R318 PolarHBondContact OE2-NE 3Å; E316-R318 IonicContact OE2-NH2 3.22Å; E316-R318 PolarHBondContact OE2-NH2 3.07Å
319L64.6Low63.9Low15 Ų1589.1 Ų89.18%0.07944%0.438CS..  trans-97.7124.5-176.3-103.5162.5000112E11 Y12 Q303 L324E11-L319 HydrophobicContact CB-CD1 3.9Å; E11-L319 HydrophobicContact CG-CD1 3.83Å; E11-L319 WeakPolarHBondContact OE2-CD1 3.34Å; E11-L319 VanDerWaalsContact OE2-CG 3.28Å; E11-L319 WeakPolarHBondContact OE2-CG 3.4Å; Y12-L319 HydrophobicContact CE2-CB 4.11Å; Y12-L319 HydrophobicContact CE2-CD1 4.24Å; Q303-L319 PolarHBondContact NE2-O 3.31Å; Q303-L319 VanDerWaalsContact NE2-O 3.12Å; L319-L324 HydrophobicContact CD1-CD2 4.41Å; L319-L324 HydrophobicContact CD2-CD2 3.61Å; L319-L324 HydrophobicContact CD2-CG 3.94Å
320K65.1Low61.6Low122 Ų12293.3 Ų93.353%0.5347%0.468SS..  trans-86.6142.1163.9-61179.1178.1178.10109.9E322 D323K320-E322 PolarHBondContact O-N 2.99Å; K320-D323 WeakPolarHBondContact CB-OD2 3.34Å; K320-D323 PolarHBondContact N-OD2 3.49Å; K320-D323 WeakPolarHBondContact O-CB 3.14Å; K320-D323 PolarHBondContact O-N 3.37Å
321A60.3Low59.1Low1 Ų1102 Ų1021%0.00851%0.509CS..THydrogen-bonded Turntrans-61.3-26.3176.500000111.8A302 Q303 L306A302-A321 HydrophobicContact CB-CB 4.39Å; Q303-A321 HydrophobicContact CB-CB 4.4Å; L306-A321 HydrophobicContact CD1-CB 4.37Å
322E58.2Low56.4Low128 Ų128100.8 Ų100.860%0.59852%0.515SS*.THydrogen-bonded Turntrans-67.2-39.5173.7-66.1163.9-173.600111.7K320 L324 L325K320-E322 PolarHBondContact O-N 2.99Å; E322-L324 PolarHBondContact O-N 2.94Å; E322-L325 PolarHBondContact O-N 3.34Å; E322-L325 VanDerWaalsContact O-N 3.13Å
323D62.9Low54.2Low65 Ų6598.5 Ų98.535%0.34853%0.529SS..G310 helixtrans-67.4-27.1179.3-56.5-28.5000111.5M3 K320 L325M3-D323 WeakPolarHBondContact CE-O 3.13Å; K320-D323 WeakPolarHBondContact CB-OD2 3.34Å; K320-D323 PolarHBondContact N-OD2 3.49Å; K320-D323 WeakPolarHBondContact O-CB 3.14Å; K320-D323 PolarHBondContact O-N 3.37Å; D323-L325 PolarHBondContact O-N 3.33Å
324L61.3Low51.5Low32 Ų32106.5 Ų106.517%0.16856%0.562CS.*G310 helixtrans-70.5-13.4176.5-65.8174.2000113.4M8 M294 L306 L319 E322M8-L324 HydrophobicContact CG-CD1 4.5Å; M294-L324 HydrophobicContact SD-CB 4.4Å; M294-L324 HydrophobicContact SD-CD1 4.11Å; L306-L324 HydrophobicContact CD1-CD1 4.34Å; L319-L324 HydrophobicContact CD1-CD2 4.41Å; L319-L324 HydrophobicContact CD2-CD2 3.61Å; L319-L324 HydrophobicContact CD2-CG 3.94Å; E322-L324 PolarHBondContact O-N 2.94Å
325L54.4Low49.3Very low82 Ų82109.7 Ų109.743%0.42957%0.568SS.*G310 helixtrans-102.1-8.9179.9-117.9110.6000114.3Y299 E322 D323 P327Y299-L325 HydrophobicContact CD1-CD1 4.36Å; Y299-L325 HydrophobicContact CE1-CD1 3.44Å; Y299-L325 VanDerWaalsContact CE1-CD1 3.44Å; E322-L325 PolarHBondContact O-N 3.34Å; E322-L325 VanDerWaalsContact O-N 3.13Å; D323-L325 PolarHBondContact O-N 3.33Å; L325-P327 VanDerWaalsContact C-CD 3.46Å; L325-P327 WeakPolarHBondContact O-CD 3.25Å
326E46.8Very low46.9Very low98 Ų98114.7 Ų114.746%0.45859%0.594SS.*THydrogen-bonded Turntrans-84.592.3-178.9-70.4-160157.100112.1
327P40.8Very low45.2Very low94 Ų94115.9 Ų115.961%0.6160%0.604SS**THydrogen-bonded Turntrans-123.55.4131.64.116000113.7L325L325-P327 VanDerWaalsContact C-CD 3.46Å; L325-P327 WeakPolarHBondContact O-CD 3.25Å
328M38.8Very low44Very low182 Ų182121.5 Ų121.590%0.89762%0.624SS**SBendtrans-109.3-6.5-170.8-138.4178.6-78.700115.7
329K37.3Very low42.4Very low189 Ų189122.1 Ų122.182%0.82263%0.632SS**SBendtrans-120.9-4-177.1-77.2-171.3177.9-179.90116.3
330S34.5Very low40.5Very low96 Ų96130.5 Ų130.567%0.67167%0.671SS**  trans-126.474.9-176.6-159.50000111.6
331E30.4Very low38.9Very low184 Ų184134.5 Ų134.586%0.8669%0.691SS**SBendtrans-146.5115.4139.8-130.4174.5-171.900107.1
332N26.9Very low37.1Very low154 Ų154137.4 Ų137.482%0.82472%0.721SS**  trans82.773.3-177.6-58.8-13.1000117.4K334N332-K334 PolarHBondContact O-N 3.2Å
333G34.8Very low35.6Very low82 Ų82140.7 Ų140.785%0.84574%0.737SS**  trans-61.110015000000111.2
334K26.6Very low33.7Very low192 Ų192148.9 Ų148.984%0.83576%0.763SS**  trans-139.9115.6147.2-77.4-169.6178.6174.80109.1N332 L336N332-K334 PolarHBondContact O-N 3.2Å; K334-L336 PolarHBondContact O-N 3.28Å
335T30.6Very low32.1Very low138 Ų138152.6 Ų152.685%0.84779%0.789SS**  trans-48.3113161.642.50000111.4
336L25.3Very low30.9Very low168 Ų168153.2 Ų153.288%0.8881%0.806SS**  trans-137.895.8149.5-77.5178.2000107.4K334K334-L336 PolarHBondContact O-N 3.28Å
337L31.4Very low29.9Very low164 Ų164157.2 Ų157.286%0.85982%0.824SS**  trans-61.3143.3155.9-75.1162.8000108.1
338E33.6Very low29.5Very low181 Ų181158.1 Ų158.185%0.84683%0.83SS**  trans71.589.9166.1-61.6179.415300118
339K26.5Very low29.4Very low197 Ų197158.1 Ų158.186%0.85783%0.828SS**  152.1108123.7-88.3175.8173.7175.50109.8
340E24.8Very low29.4Very low191 Ų191158 Ų15889%0.89383%0.827SS**  174.6121.5113.6-93.4177.9178.600108.8G342E340-G342 PolarHBondContact O-N 3.07Å
341E30.2Very low29.8Very low206 Ų206163.1 Ų163.196%0.96384%0.838SS**  trans-54129.6166.1-71.9167.2132.900109.8
342G23.2Very low31.1Very low62 Ų62157.6 Ų157.664%0.63981%0.814SS**  trans173.386.4177.200000109.5E340 R344E340-G342 PolarHBondContact O-N 3.07Å; G342-R344 VanDerWaalsContact C-N 3.34Å; G342-R344 PolarHBondContact O-N 3.37Å
343E27.4Very low33.1Very low198 Ų198153 Ų15393%0.92579%0.793SS**  trans-47.699.8161.9-74.2177.7137.800109.1P345E343-P345 WeakPolarHBondContact O-CD 3.42Å
344R22.5Very low34.7Very low236 Ų236152.6 Ų152.689%0.89177%0.771SS**  trans-83.9108.9155.9-84.9-174.9-99.9-170.8-7.3105.5G342 A346G342-R344 VanDerWaalsContact C-N 3.34Å; G342-R344 PolarHBondContact O-N 3.37Å; R344-A346 PolarHBondContact O-N 3.09Å; R344-A346 VanDerWaalsContact O-N 3.15Å
345P27.3Very low36.6Very low111 Ų111149.8 Ų149.872%0.72177%0.765SS**PPolyproline II helixtrans-59.1127.1173.324.2-29.9000107E343 Q347E343-P345 WeakPolarHBondContact O-CD 3.42Å; P345-Q347 PolarHBondContact O-N 2.8Å
346A30.2Very low38.3Very low94 Ų94146.5 Ų146.578%0.77774%0.742SS**PPolyproline II helixtrans-46.7116.1161.100000106.2R344 P348R344-A346 PolarHBondContact O-N 3.09Å; R344-A346 VanDerWaalsContact O-N 3.15Å; A346-P348 WeakPolarHBondContact O-CD 3.34Å
347Q25.5Very low40.3Very low182 Ų182138.5 Ų138.585%0.8570%0.7SS**PPolyproline II helixtrans-55.2122.2177.9-74.4-152.43.800106.8P345 E349P345-Q347 PolarHBondContact O-N 2.8Å; Q347-E349 PolarHBondContact O-N 3.13Å
348P32.3Very low42.2Very low113 Ų113135 Ų13573%0.73468%0.678SS**PPolyproline II helixtrans-60.6121174.623.8-29.1000105.7A346 K350A346-P348 WeakPolarHBondContact O-CD 3.34Å; P348-K350 PolarHBondContact O-N 3.1Å
349E35.8Very low43.8Very low183 Ų183131 Ų13186%0.85567%0.669SS**  trans-45.1112.8164.6-74.6-175.3157.900106.2Q347 K351Q347-E349 PolarHBondContact O-N 3.13Å; E349-K351 PolarHBondContact O-N 2.83Å
350K37.4Very low46.2Very low185 Ų185122.9 Ų122.980%0.80464%0.637SS**  trans-52.7112.4175.2-103.1-176.4174-177.50105.3P348 L352P348-K350 PolarHBondContact O-N 3.1Å; K350-L352 HydrophobicContact CB-CD1 4.14Å; K350-L352 WeakPolarHBondContact O-CD1 3.47Å; K350-L352 PolarHBondContact O-N 3.01Å
351K43.3Very low48.6Very low204 Ų204125.3 Ų125.389%0.88764%0.638SS**  trans-64.990.2170.2-70.4-174.7179.2-177.50106E349 S353E349-K351 PolarHBondContact O-N 2.83Å; K351-S353 PolarHBondContact O-N 3.3Å
352L58.2Low50.8Low69 Ų69122.1 Ų122.136%0.36162%0.617SS.*  trans-59.6129.3176.6-98.682.8000108.1K350 D356 V480 I481 L485K350-L352 HydrophobicContact CB-CD1 4.14Å; K350-L352 WeakPolarHBondContact O-CD1 3.47Å; K350-L352 PolarHBondContact O-N 3.01Å; L352-D356 WeakPolarHBondContact CA-OD2 3.34Å; L352-V480 HydrophobicContact CD1-CG1 4.48Å; L352-V480 HydrophobicContact CD2-CG1 4.04Å; L352-I481 HydrophobicContact CD2-CG2 3.31Å; L352-L485 HydrophobicContact CB-CD1 3.77Å; L352-L485 HydrophobicContact CD2-CD1 4.17Å
353S68.9Low53.3Low56 Ų56119.4 Ų119.439%0.39259%0.588SS.*  trans-96.3156.6-175.3-176.80000110.3K351 L355 D356K351-S353 PolarHBondContact O-N 3.3Å; S353-L355 PolarHBondContact O-N 3.11Å; S353-L355 VanDerWaalsContact O-N 3.11Å; S353-D356 PolarHBondContact N-OD2 3.11Å; S353-D356 VanDerWaalsContact O-CB 3.31Å; S353-D356 WeakPolarHBondContact O-CB 3.24Å; S353-D356 PolarHBondContact O-N 3.15Å
354I66.8Low55.8Low75 Ų75110.8 Ų110.839%0.38555%0.55SS.*G310 helixtrans-57-27.2172.4-63.5171.5000111.1D356 L357 L485 M492I354-D356 PolarHBondContact O-N 3.48Å; I354-L357 WeakPolarHBondContact O-CB 3.2Å; I354-L357 PolarHBondContact O-N 3.22Å; I354-L357 VanDerWaalsContact O-N 3.15Å; I354-L485 HydrophobicContact CB-CD2 4.29Å; I354-L485 HydrophobicContact CG1-CD2 3.7Å; I354-M492 HydrophobicContact CD1-CE 4.18Å
355L67.3Low58.7Low133 Ų133101.3 Ų101.370%0.69653%0.526SS*.G310 helixtrans-63.5-23.4175.8-61.4177000113.1S353 L357 F358S353-L355 PolarHBondContact O-N 3.11Å; S353-L355 VanDerWaalsContact O-N 3.11Å; L355-L357 PolarHBondContact O-N 3.34Å; L355-F358 PolarHBondContact O-N 3.36Å; L355-F358 VanDerWaalsContact O-N 3.08Å
356D66.5Low61.3Low68 Ų6897.3 Ų97.336%0.36450%0.497SS..G310 helixtrans-70.6-17.1177.5-60.7-30.9000112.1L352 S353 I354 F358 C359L352-D356 WeakPolarHBondContact CA-OD2 3.34Å; S353-D356 PolarHBondContact N-OD2 3.11Å; S353-D356 VanDerWaalsContact O-CB 3.31Å; S353-D356 WeakPolarHBondContact O-CB 3.24Å; S353-D356 PolarHBondContact O-N 3.15Å; I354-D356 PolarHBondContact O-N 3.48Å; D356-F358 VanDerWaalsContact C-N 3.27Å; D356-F358 PolarHBondContact O-N 3.41Å; D356-C359 WeakPolarHBondContact O-CB 3.29Å
357L66.8Low63.9Low1 Ų192.8 Ų92.81%0.00546%0.46CS..G310 helixtrans-69.3-25169.8-83.894.7000113.1I354 L355 T367 Y477 L485 A486I354-L357 WeakPolarHBondContact O-CB 3.2Å; I354-L357 PolarHBondContact O-N 3.22Å; I354-L357 VanDerWaalsContact O-N 3.15Å; L355-L357 PolarHBondContact O-N 3.34Å; L357-T367 HydrophobicContact CB-CG2 4.27Å; L357-T367 HydrophobicContact CD2-CG2 3.46Å; L357-T367 VanDerWaalsContact CD2-CG2 3.46Å; L357-Y477 HydrophobicContact CD2-CE1 3.88Å; L357-L485 HydrophobicContact CD1-CB 3.76Å; L357-L485 HydrophobicContact CD1-CD1 4.42Å; L357-L485 HydrophobicContact CD1-CD2 3.97Å; L357-L485 HydrophobicContact CD1-CG 4.28Å; L357-A486 HydrophobicContact CD2-CB 4.48Å
358F71.8Confident66.8Low90 Ų9087.9 Ų87.940%0.39544%0.444SS..G310 helixtrans-9812-177.4-66.4-85.2000112.3L355 D356 S360 A364 T367 W371L355-F358 PolarHBondContact O-N 3.36Å; L355-F358 VanDerWaalsContact O-N 3.08Å; D356-F358 VanDerWaalsContact C-N 3.27Å; D356-F358 PolarHBondContact O-N 3.41Å; F358-S360 VanDerWaalsContact C-N 3.27Å; F358-S360 PolarHBondContact O-N 3.42Å; F358-A364 HydrophobicContact CD1-CB 3.79Å; F358-T367 HydrophobicContact CZ-CG2 4.22Å; F358-W371 AromaticContact CE2-CH2 3.74Å; F358-W371 HydrophobicContact CE2-CH2 3.74Å; F358-W371 HydrophobicContact CE2-CZ2 4.13Å; F358-W371 HydrophobicContact CE2-CZ3 4.41Å; F358-W371 AromaticContact CZ-CH2 3.65Å; F358-W371 HydrophobicContact CZ-CH2 3.65Å; F358-W371 HydrophobicContact CZ-CZ2 4.14Å; F358-W371 AromaticContact CZ-CZ3 3.88Å; F358-W371 HydrophobicContact CZ-CZ3 3.88Å
359C67.9Low69.4Low97 Ų9783 Ų8366%0.65541%0.413SS*.SBendtrans-67.2-24.7-172.8-153.70000113.4D356D356-C359 WeakPolarHBondContact O-CB 3.29Å
360S75.6Confident71.8Confident26 Ų2674.3 Ų74.318%0.18237%0.372CS..SBendtrans-129.1146173.277.30000111.9F358 R362 M363 A364 E549F358-S360 VanDerWaalsContact C-N 3.27Å; F358-S360 PolarHBondContact O-N 3.42Å; S360-R362 PolarHBondContact O-N 2.97Å; S360-M363 PolarHBondContact O-N 3.24Å; S360-M363 WeakPolarHBondContact OG-CB 3.44Å; S360-M363 VanDerWaalsContact OG-CG 3.25Å; S360-M363 WeakPolarHBondContact OG-CG 3.3Å; S360-M363 PolarHBondContact OG-N 3.03Å; S360-A364 WeakPolarHBondContact O-CB 3.41Å; S360-A364 PolarHBondContact O-N 3.41Å; S360-E549 WeakPolarHBondContact CB-OE1 3.36Å; S360-E549 PolarHBondContact OG-OE1 3.47Å
361W75.3Confident74.3Confident242 Ų24268.2 Ų68.292%0.91734%0.344SS*.Hα-helixtrans-58.9-34.1-178.3-174.3-102.8000112.8G365W361-G365 PolarHBondContact O-N 3.3Å
362R76Confident76.5Confident140 Ų14060 Ų6053%0.52831%0.314SS..Hα-helixtrans-72.9-40179.1-165.3-179.6-83.2-174.3-4.5111.6S360 R366 E549S360-R362 PolarHBondContact O-N 2.97Å; R362-R366 WeakPolarHBondContact O-CG 3.49Å; R362-R366 PolarHBondContact O-N 3.31Å; R362-E549 PolarHBondContact NH1-O 2.75Å
363M75.8Confident77.9Confident4 Ų456.9 Ų56.92%0.0230%0.297CS..Hα-helixtrans-72.5-35.5174.2-69.1-61.4-72.200112.3S360 R366 T367 Y477 L545 A548 E549S360-M363 PolarHBondContact O-N 3.24Å; S360-M363 WeakPolarHBondContact OG-CB 3.44Å; S360-M363 VanDerWaalsContact OG-CG 3.25Å; S360-M363 WeakPolarHBondContact OG-CG 3.3Å; S360-M363 PolarHBondContact OG-N 3.03Å; M363-R366 PolarHBondContact O-N 3.34Å; M363-T367 VanDerWaalsContact O-CB 3.3Å; M363-T367 WeakPolarHBondContact O-CB 3.4Å; M363-T367 PolarHBondContact O-N 3.21Å; M363-T367 PolarHBondContact O-OG1 3.33Å; M363-Y477 HydrophobicContact CE-CD1 3.84Å; M363-Y477 HydrophobicContact CE-CE1 3.83Å; M363-L545 HydrophobicContact CE-CD1 4.06Å; M363-L545 HydrophobicContact CG-CD1 4.37Å; M363-A548 HydrophobicContact CE-CB 4.38Å; M363-E549 HydrophobicContact CG-CG 3.56Å; M363-E549 HydrophobicContact SD-CG 3.92Å
364A80.9Confident78.8Confident17 Ų1754.2 Ų54.214%0.1428%0.279CS..Hα-helixtrans-61.2-46.517300000111.4F358 S360 R366 T367 C368F358-A364 HydrophobicContact CD1-CB 3.79Å; S360-A364 WeakPolarHBondContact O-CB 3.41Å; S360-A364 PolarHBondContact O-N 3.41Å; A364-R366 PolarHBondContact O-N 3.21Å; A364-T367 PolarHBondContact O-N 3.26Å; A364-C368 WeakPolarHBondContact O-CB 3.49Å; A364-C368 PolarHBondContact O-N 3.12Å
365G82.6Confident80Confident37 Ų3753.3 Ų53.338%0.38127%0.272SS..Hα-helixtrans-59.6-45.6175.100000112.8W361 T367 C368 T369W361-G365 PolarHBondContact O-N 3.3Å; G365-T367 PolarHBondContact O-N 3.18Å; G365-C368 PolarHBondContact O-N 3.47Å; G365-T369 PolarHBondContact O-N 3.1Å; G365-T369 PolarHBondContact O-OG1 3.34Å
366R82.7Confident81Confident27 Ų2747.8 Ų47.810%0.10224%0.243CC..Hα-helixtrans-62.4-42.6175.5-74.5176.6178.7178.61.7112.7R362 M363 A364 T369 V370 L476 A548 L551R362-R366 WeakPolarHBondContact O-CG 3.49Å; R362-R366 PolarHBondContact O-N 3.31Å; M363-R366 PolarHBondContact O-N 3.34Å; A364-R366 PolarHBondContact O-N 3.21Å; R366-T369 PolarHBondContact O-N 3.2Å; R366-V370 WeakPolarHBondContact O-CB 3.33Å; R366-V370 WeakPolarHBondContact O-CG2 3.25Å; R366-V370 PolarHBondContact O-N 3Å; R366-L476 HydrophobicContact CB-CD2 4.26Å; R366-A548 PolarHBondContact NH1-O 3.3Å; R366-L551 PolarHBondContact NH2-O 3.28Å
367T84.6Confident82Confident0 Ų044.6 Ų44.60%023%0.227CC..Hα-helixtrans-64.9-44.1178.2-56.20000111.8L357 F358 M363 A364 G365 T369 V370 W371 Y477L357-T367 HydrophobicContact CB-CG2 4.27Å; L357-T367 HydrophobicContact CD2-CG2 3.46Å; L357-T367 VanDerWaalsContact CD2-CG2 3.46Å; F358-T367 HydrophobicContact CZ-CG2 4.22Å; M363-T367 VanDerWaalsContact O-CB 3.3Å; M363-T367 WeakPolarHBondContact O-CB 3.4Å; M363-T367 PolarHBondContact O-N 3.21Å; M363-T367 PolarHBondContact O-OG1 3.33Å; A364-T367 PolarHBondContact O-N 3.26Å; G365-T367 PolarHBondContact O-N 3.18Å; T367-T369 VanDerWaalsContact C-N 3.33Å; T367-T369 PolarHBondContact O-N 2.95Å; T367-V370 PolarHBondContact O-N 3.01Å; T367-W371 HydrophobicContact CG2-CD2 4.26Å; T367-W371 HydrophobicContact CG2-CG 4.41Å; T367-W371 HydrophobicContact CG2-CZ2 4.13Å; T367-W371 WeakPolarHBondContact O-CB 3.16Å; T367-W371 VanDerWaalsContact O-CG 3.3Å; T367-W371 PolarHBondContact O-N 2.88Å; T367-Y477 WeakPolarHBondContact CA-OH 3.27Å; T367-Y477 VanDerWaalsContact CB-OH 3.29Å; T367-Y477 WeakPolarHBondContact CB-OH 3.45Å; T367-Y477 PolarHBondContact N-OH 3.06Å; T367-Y477 PolarHBondContact OG1-OH 3.04Å
368C87Confident83Confident78 Ų7844.7 Ų44.753%0.52723%0.227SC..Hα-helixtrans-61-42.8175.4-167.80000111.4A364 G365 W371 A372A364-C368 WeakPolarHBondContact O-CB 3.49Å; A364-C368 PolarHBondContact O-N 3.12Å; G365-C368 PolarHBondContact O-N 3.47Å; C368-W371 PolarHBondContact O-N 3.39Å; C368-A372 WeakPolarHBondContact O-CB 3.37Å; C368-A372 PolarHBondContact O-N 3.42Å
369T86.1Confident83.9Confident11 Ų1140.6 Ų40.67%0.06721%0.209CC..Hα-helixtrans-63.5-47.2175.3-58.70000111.9G365 R366 T367 W371 A372 I373 L529 L533G365-T369 PolarHBondContact O-N 3.1Å; G365-T369 PolarHBondContact O-OG1 3.34Å; R366-T369 PolarHBondContact O-N 3.2Å; T367-T369 VanDerWaalsContact C-N 3.33Å; T367-T369 PolarHBondContact O-N 2.95Å; T369-W371 VanDerWaalsContact C-N 3.34Å; T369-W371 PolarHBondContact O-N 2.91Å; T369-A372 PolarHBondContact O-N 2.93Å; T369-I373 HydrophobicContact CG2-CD1 3.93Å; T369-I373 HydrophobicContact CG2-CG1 4.34Å; T369-I373 WeakPolarHBondContact O-CG1 3.3Å; T369-I373 PolarHBondContact O-N 3.35Å; T369-L529 HydrophobicContact CG2-CB 4.16Å; T369-L529 HydrophobicContact CG2-CD2 3.6Å; T369-L529 HydrophobicContact CG2-CG 3.53Å; T369-L529 WeakPolarHBondContact OG1-CD2 3.39Å; T369-L529 WeakPolarHBondContact OG1-CG 3.29Å; T369-L533 HydrophobicContact CG2-CD1 3.27Å; T369-L533 HydrophobicContact CG2-CD2 4.42Å; T369-L533 HydrophobicContact CG2-CG 4.47Å
370V86.4Confident84.9Confident1 Ų136 Ų361%0.00618%0.178CC..Hα-helixtrans-59.7-46.8178.61680000110.3R366 T367 A372 I373 W374 I469 T473 L476 Y477 L533R366-V370 WeakPolarHBondContact O-CB 3.33Å; R366-V370 WeakPolarHBondContact O-CG2 3.25Å; R366-V370 PolarHBondContact O-N 3Å; T367-V370 PolarHBondContact O-N 3.01Å; V370-A372 VanDerWaalsContact C-N 3.31Å; V370-A372 PolarHBondContact O-N 3.48Å; V370-I373 WeakPolarHBondContact O-CB 3.36Å; V370-I373 PolarHBondContact O-N 2.93Å; V370-I373 VanDerWaalsContact O-N 3.12Å; V370-W374 VanDerWaalsContact CG1-CD1 3.46Å; V370-W374 PolarHBondContact O-N 3.48Å; V370-I469 HydrophobicContact CG1-CD1 4.36Å; V370-T473 HydrophobicContact CG1-CG2 4.16Å; V370-L476 HydrophobicContact CG2-CD2 3.75Å; V370-Y477 HydrophobicContact CG2-CE2 4.43Å; V370-L533 HydrophobicContact CG2-CD2 4.04Å
371W90Very high85.3Confident57 Ų5735.7 Ų35.722%0.21617%0.173CC..Hα-helixtrans-57.6-42175.3-76.412.8000112.7F358 T367 C368 T369 W374 F375 S489 M493F358-W371 AromaticContact CE2-CH2 3.74Å; F358-W371 HydrophobicContact CE2-CH2 3.74Å; F358-W371 HydrophobicContact CE2-CZ2 4.13Å; F358-W371 HydrophobicContact CE2-CZ3 4.41Å; F358-W371 AromaticContact CZ-CH2 3.65Å; F358-W371 HydrophobicContact CZ-CH2 3.65Å; F358-W371 HydrophobicContact CZ-CZ2 4.14Å; F358-W371 AromaticContact CZ-CZ3 3.88Å; F358-W371 HydrophobicContact CZ-CZ3 3.88Å; T367-W371 HydrophobicContact CG2-CD2 4.26Å; T367-W371 HydrophobicContact CG2-CG 4.41Å; T367-W371 HydrophobicContact CG2-CZ2 4.13Å; T367-W371 WeakPolarHBondContact O-CB 3.16Å; T367-W371 VanDerWaalsContact O-CG 3.3Å; T367-W371 PolarHBondContact O-N 2.88Å; C368-W371 PolarHBondContact O-N 3.39Å; T369-W371 VanDerWaalsContact C-N 3.34Å; T369-W371 PolarHBondContact O-N 2.91Å; W371-W374 PolarHBondContact O-N 3.12Å; W371-F375 WeakPolarHBondContact O-CB 3.44Å; W371-F375 PolarHBondContact O-N 2.9Å; W371-S489 PolarHBondContact NE1-OG 3.33Å; W371-M493 HydrophobicContact CB-CB 4.47Å; W371-M493 HydrophobicContact CB-CG 3.96Å; W371-M493 HydrophobicContact CD2-CG 3.86Å; W371-M493 HydrophobicContact CE3-CG 4.06Å; W371-M493 HydrophobicContact CE3-SD 4.27Å; W371-M493 HydrophobicContact CG-CG 3.83Å
372A89.4Confident85.9Confident30 Ų3025 Ų2525%0.24813%0.133CC..Hα-helixtrans-66-3817600000112.2C368 T369 V370 F375 I376 I526C368-A372 WeakPolarHBondContact O-CB 3.37Å; C368-A372 PolarHBondContact O-N 3.42Å; T369-A372 PolarHBondContact O-N 2.93Å; V370-A372 VanDerWaalsContact C-N 3.31Å; V370-A372 PolarHBondContact O-N 3.48Å; A372-F375 PolarHBondContact O-N 3.37Å; A372-I376 WeakPolarHBondContact O-CB 3.39Å; A372-I376 VanDerWaalsContact O-CG1 3.29Å; A372-I376 WeakPolarHBondContact O-CG1 3.39Å; A372-I376 PolarHBondContact O-N 3.18Å; A372-I526 HydrophobicContact CB-CD1 3.43Å; A372-I526 VanDerWaalsContact CB-CD1 3.43Å
373I86.9Confident86.5Confident4 Ų418.5 Ų18.52%0.02111%0.109CC..Hα-helixtrans-62.1-46173-62.7162.8000110.7T369 V370 F375 G377 Y430 I469 I526T369-I373 HydrophobicContact CG2-CD1 3.93Å; T369-I373 HydrophobicContact CG2-CG1 4.34Å; T369-I373 WeakPolarHBondContact O-CG1 3.3Å; T369-I373 PolarHBondContact O-N 3.35Å; V370-I373 WeakPolarHBondContact O-CB 3.36Å; V370-I373 PolarHBondContact O-N 2.93Å; V370-I373 VanDerWaalsContact O-N 3.12Å; I373-F375 PolarHBondContact O-N 2.96Å; I373-G377 PolarHBondContact O-N 2.87Å; I373-Y430 HydrophobicContact CG2-CE2 4.31Å; I373-Y430 WeakPolarHBondContact CG2-OH 3.48Å; I373-I469 HydrophobicContact CB-CD1 4.02Å; I373-I469 HydrophobicContact CB-CG1 4.24Å; I373-I469 HydrophobicContact CD1-CD1 4.03Å; I373-I469 HydrophobicContact CG2-CB 4.01Å; I373-I469 HydrophobicContact CG2-CD1 3.69Å; I373-I469 HydrophobicContact CG2-CG1 3.69Å; I373-I526 HydrophobicContact CB-CG1 4.16Å; I373-I526 HydrophobicContact CG1-CD1 3.81Å; I373-I526 HydrophobicContact CG1-CG1 3.34Å
374W89.1Confident86.9Confident0 Ų018.6 Ų18.60%011%0.109CC..Hα-helixtrans-60.4-44177.3-81.4107.8000112.8V370 W371 S378 F466 I469 Y470 T473 G490 C494V370-W374 VanDerWaalsContact CG1-CD1 3.46Å; V370-W374 PolarHBondContact O-N 3.48Å; W371-W374 PolarHBondContact O-N 3.12Å; W374-S378 WeakPolarHBondContact O-CB 3.39Å; W374-S378 PolarHBondContact O-N 2.63Å; W374-F466 AromaticContact CE3-CE2 3.97Å; W374-F466 HydrophobicContact CE3-CE2 3.97Å; W374-F466 HydrophobicContact CZ3-CE2 4.24Å; W374-F466 HydrophobicContact CZ3-CZ 4.43Å; W374-I469 HydrophobicContact CD2-CG1 4.12Å; W374-I469 HydrophobicContact CD2-CG2 4.03Å; W374-I469 HydrophobicContact CE3-CG2 4.1Å; W374-I469 HydrophobicContact CG-CG1 4.18Å; W374-I469 HydrophobicContact CH2-CG2 4.48Å; W374-I469 HydrophobicContact CZ2-CG1 4.44Å; W374-I469 HydrophobicContact CZ2-CG2 4.3Å; W374-I469 HydrophobicContact CZ3-CG2 4.37Å; W374-Y470 HydrophobicContact CE3-CE2 4.34Å; W374-Y470 AromaticContact CH2-CD1 3.36Å; W374-Y470 HydrophobicContact CH2-CD1 3.36Å; W374-Y470 AromaticContact CH2-CD2 3.48Å; W374-Y470 HydrophobicContact CH2-CD2 3.48Å; W374-Y470 VanDerWaalsContact CH2-CD2 3.48Å; W374-Y470 AromaticContact CH2-CE1 3.32Å; W374-Y470 HydrophobicContact CH2-CE1 3.32Å; W374-Y470 AromaticContact CH2-CE2 3.45Å; W374-Y470 HydrophobicContact CH2-CE2 3.45Å; W374-Y470 VanDerWaalsContact CH2-CE2 3.45Å; W374-Y470 AromaticContact CH2-CG 3.42Å; W374-Y470 HydrophobicContact CH2-CG 3.42Å; W374-Y470 VanDerWaalsContact CH2-CG 3.42Å; W374-Y470 AromaticContact CH2-CZ 3.35Å; W374-Y470 HydrophobicContact CZ2-CD1 4.25Å; W374-Y470 HydrophobicContact CZ2-CD2 4.34Å; W374-Y470 HydrophobicContact CZ2-CG 4.13Å; W374-Y470 HydrophobicContact CZ3-CD1 4.15Å; W374-Y470 AromaticContact CZ3-CD2 3.74Å; W374-Y470 HydrophobicContact CZ3-CD2 3.74Å; W374-Y470 AromaticContact CZ3-CE1 3.71Å; W374-Y470 HydrophobicContact CZ3-CE1 3.71Å; W374-Y470 AromaticContact CZ3-CE2 3.25Å; W374-Y470 HydrophobicContact CZ3-CE2 3.25Å; W374-Y470 HydrophobicContact CZ3-CG 4.15Å; W374-Y470 AromaticContact CZ3-CZ 3.21Å; W374-Y470 WeakPolarHBondContact CZ3-OH 3.31Å; W374-T473 PolarHBondContact NE1-OG1 3.27Å; W374-T473 VanDerWaalsContact NE1-OG1 3.1Å; W374-G490 WeakPolarHBondContact CB-O 3.38Å; W374-C494 HydrophobicContact CB-CB 4.39Å; W374-C494 HydrophobicContact CE3-CB 3.78Å; W374-C494 HydrophobicContact CZ3-CB 4.37Å
375F91.1Very high87.1Confident57 Ų5717.8 Ų17.825%0.2510%0.102CC..Hα-helixtrans-64.5-53.9177.9177.8-93.5000111.7W371 A372 I373 S378 L379 V496 G497 V500W371-F375 WeakPolarHBondContact O-CB 3.44Å; W371-F375 PolarHBondContact O-N 2.9Å; A372-F375 PolarHBondContact O-N 3.37Å; I373-F375 PolarHBondContact O-N 2.96Å; F375-S378 PolarHBondContact O-N 3.18Å; F375-L379 HydrophobicContact CE1-CD2 4.15Å; F375-L379 VanDerWaalsContact O-CB 3.3Å; F375-L379 WeakPolarHBondContact O-CB 3.4Å; F375-L379 PolarHBondContact O-N 3.02Å; F375-V496 HydrophobicContact CD2-CB 4.44Å; F375-V496 HydrophobicContact CD2-CG1 4.42Å; F375-V496 HydrophobicContact CE2-CB 4.5Å; F375-V496 HydrophobicContact CE2-CG1 4.07Å; F375-G497 VanDerWaalsContact CD2-CA 3.48Å; F375-G497 VanDerWaalsContact CE2-CA 3.45Å; F375-V500 HydrophobicContact CE2-CG2 4.22Å; F375-V500 HydrophobicContact CZ-CB 4.34Å; F375-V500 HydrophobicContact CZ-CG1 4.43Å; F375-V500 HydrophobicContact CZ-CG2 4.25Å
376I89.3Confident87.2Confident17 Ų1716.7 Ų16.79%0.0879%0.088CC..Hα-helixtrans-68.4-38.5-176.1-65.3168.9000111.2A372 S378 L379 G380 L522 I526A372-I376 WeakPolarHBondContact O-CB 3.39Å; A372-I376 VanDerWaalsContact O-CG1 3.29Å; A372-I376 WeakPolarHBondContact O-CG1 3.39Å; A372-I376 PolarHBondContact O-N 3.18Å; I376-S378 VanDerWaalsContact C-N 3.34Å; I376-S378 PolarHBondContact O-N 3.14Å; I376-L379 PolarHBondContact O-N 2.87Å; I376-G380 PolarHBondContact O-N 2.85Å; I376-L522 HydrophobicContact CD1-CB 4.02Å; I376-L522 HydrophobicContact CG1-CB 4.19Å; I376-L522 HydrophobicContact CG2-CB 3.99Å; I376-I526 HydrophobicContact CD1-CB 3.86Å; I376-I526 HydrophobicContact CD1-CD1 4.01Å; I376-I526 HydrophobicContact CD1-CG1 4.19Å; I376-I526 HydrophobicContact CD1-CG2 4.44Å; I376-I526 HydrophobicContact CG2-CG2 4.36Å
377G86.3Confident87.1Confident1 Ų116 Ų161%0.019%0.089CC..Hα-helixtrans-61.1-42.8175.800000112.1I373 Y381I373-G377 PolarHBondContact O-N 2.87Å; G377-Y381 WeakPolarHBondContact O-CB 3.3Å; G377-Y381 PolarHBondContact O-N 3.12Å
378S88.6Confident86.8Confident2 Ų216 Ų161%0.0149%0.089CC..Hα-helixtrans-68.8-46.2175.1-163.30000112.6W374 F375 I376 G380 Y381 Y382 C494W374-S378 WeakPolarHBondContact O-CB 3.39Å; W374-S378 PolarHBondContact O-N 2.63Å; F375-S378 PolarHBondContact O-N 3.18Å; I376-S378 VanDerWaalsContact C-N 3.34Å; I376-S378 PolarHBondContact O-N 3.14Å; S378-G380 VanDerWaalsContact C-N 3.32Å; S378-G380 PolarHBondContact O-N 3.03Å; S378-Y381 PolarHBondContact O-N 2.69Å; S378-Y382 WeakPolarHBondContact O-CD2 3.35Å; S378-Y382 PolarHBondContact O-N 2.84Å; S378-C494 WeakPolarHBondContact CB-O 3.47Å; S378-C494 WeakPolarHBondContact CB-SG 3.49Å; S378-C494 PolarHBondContact OG-O 2.89Å; S378-C494 PolarHBondContact OG-SG 2.97Å; S378-C494 VanDerWaalsContact OG-SG 3.37Å
379L90.3Very high86.3Confident4 Ų413.3 Ų13.32%0.0217%0.07CC..Hα-helixtrans-54.7-51.1177.3-177.873.7000110.2F375 I376 Y382 V383 V500 A501 L522F375-L379 HydrophobicContact CE1-CD2 4.15Å; F375-L379 VanDerWaalsContact O-CB 3.3Å; F375-L379 WeakPolarHBondContact O-CB 3.4Å; F375-L379 PolarHBondContact O-N 3.02Å; I376-L379 PolarHBondContact O-N 2.87Å; L379-Y382 PolarHBondContact O-N 3.47Å; L379-V383 HydrophobicContact CD1-CG2 4.31Å; L379-V383 HydrophobicContact CG-CG2 4.32Å; L379-V383 VanDerWaalsContact O-CB 3.31Å; L379-V383 WeakPolarHBondContact O-CB 3.34Å; L379-V383 WeakPolarHBondContact O-CG2 3.47Å; L379-V383 PolarHBondContact O-N 3.49Å; L379-V500 HydrophobicContact CD1-CB 4.07Å; L379-V500 HydrophobicContact CD1-CG1 3.93Å; L379-A501 HydrophobicContact CD1-CB 3.94Å; L379-L522 HydrophobicContact CD2-CD1 3.7Å
380G88.1Confident85.8Confident0 Ų017 Ų170%09%0.09CC..Hα-helixtrans-61-47.1177.900000112.3I376 S378 Y382 V383 F384I376-G380 PolarHBondContact O-N 2.85Å; S378-G380 VanDerWaalsContact C-N 3.32Å; S378-G380 PolarHBondContact O-N 3.03Å; G380-Y382 VanDerWaalsContact C-N 3.34Å; G380-Y382 PolarHBondContact O-N 3.28Å; G380-V383 PolarHBondContact O-N 2.93Å; G380-F384 WeakPolarHBondContact O-CB 3.34Å; G380-F384 WeakPolarHBondContact O-CD2 2.9Å; G380-F384 PolarHBondContact O-N 3.31Å
381Y86Confident85Confident21 Ų2117.4 Ų17.48%0.0829%0.092CC..Hα-helixtrans-55.5-47.6178.9174.6-96.7000112.4G377 S378 S385 Q406G377-Y381 WeakPolarHBondContact O-CB 3.3Å; G377-Y381 PolarHBondContact O-N 3.12Å; S378-Y381 PolarHBondContact O-N 2.69Å; Y381-S385 VanDerWaalsContact O-CB 3.27Å; Y381-S385 WeakPolarHBondContact O-CB 3.47Å; Y381-S385 PolarHBondContact O-N 3.5Å; Y381-S385 PolarHBondContact O-OG 2.96Å; Y381-Q406 VanDerWaalsContact OH-CD 3.23Å; Y381-Q406 PolarHBondContact OH-NE2 3.31Å; Y381-Q406 PolarHBondContact OH-OE1 2.89Å
382Y87.2Confident83.9Confident17 Ų1716.3 Ų16.37%0.06710%0.098CC..Hα-helixtrans-76.8-35.8-179.7-75.8-71000112.9Y37 M160 S378 L379 G380 F384 S385 L386 S498 A501Y37-Y382 HydrophobicContact CD1-CE1 4.35Å; M160-Y382 HydrophobicContact CE-CD1 3.85Å; M160-Y382 HydrophobicContact CE-CE1 3.6Å; M160-Y382 HydrophobicContact SD-CE1 4.41Å; S378-Y382 WeakPolarHBondContact O-CD2 3.35Å; S378-Y382 PolarHBondContact O-N 2.84Å; L379-Y382 PolarHBondContact O-N 3.47Å; G380-Y382 VanDerWaalsContact C-N 3.34Å; G380-Y382 PolarHBondContact O-N 3.28Å; Y382-F384 PolarHBondContact O-N 3.11Å; Y382-S385 PolarHBondContact O-N 3.45Å; Y382-L386 VanDerWaalsContact O-CB 3.24Å; Y382-L386 WeakPolarHBondContact O-CB 3.3Å; Y382-L386 VanDerWaalsContact O-CG 3.29Å; Y382-L386 WeakPolarHBondContact O-CG 3.41Å; Y382-L386 PolarHBondContact O-N 3.31Å; Y382-S498 VanDerWaalsContact CD2-CB 3.47Å; Y382-A501 VanDerWaalsContact CB-CB 3.43Å
383V88.6Confident83.4Confident4 Ų417.8 Ų17.82%0.02412%0.116CC..Hα-helixtrans-62.6-42.3174169.30000111L379 G380 G387 A501 C504 V505 P515 V519L379-V383 HydrophobicContact CD1-CG2 4.31Å; L379-V383 HydrophobicContact CG-CG2 4.32Å; L379-V383 VanDerWaalsContact O-CB 3.31Å; L379-V383 WeakPolarHBondContact O-CB 3.34Å; L379-V383 WeakPolarHBondContact O-CG2 3.47Å; L379-V383 PolarHBondContact O-N 3.49Å; G380-V383 PolarHBondContact O-N 2.93Å; V383-G387 VanDerWaalsContact O-CA 3.28Å; V383-G387 WeakPolarHBondContact O-CA 3.29Å; V383-G387 PolarHBondContact O-N 3.5Å; V383-A501 HydrophobicContact CG2-CB 4Å; V383-C504 HydrophobicContact CG2-CB 3.84Å; V383-V505 HydrophobicContact CB-CG2 4.26Å; V383-V505 HydrophobicContact CG1-CG2 4.15Å; V383-V505 HydrophobicContact CG2-CG2 4.18Å; V383-P515 HydrophobicContact CG1-CB 3.98Å; V383-V519 HydrophobicContact CB-CG2 3.85Å; V383-V519 HydrophobicContact CG1-CG2 3.74Å; V383-V519 HydrophobicContact CG2-CG2 3.97Å
384F84.4Confident83.3Confident5 Ų521 Ų212%0.02213%0.133CC..Hα-helixtrans-69.6-36.8175.1-80.1-68000112.7G380 Y382 S388 K459 V462 V519G380-F384 WeakPolarHBondContact O-CB 3.34Å; G380-F384 WeakPolarHBondContact O-CD2 2.9Å; G380-F384 PolarHBondContact O-N 3.31Å; Y382-F384 PolarHBondContact O-N 3.11Å; F384-S388 WeakPolarHBondContact O-CB 3.24Å; F384-S388 PolarHBondContact O-N 3.46Å; F384-K459 HydrophobicContact CB-CB 4Å; F384-K459 HydrophobicContact CB-CD 4.39Å; F384-K459 HydrophobicContact CB-CG 4.06Å; F384-K459 HydrophobicContact CG-CB 4.2Å; F384-V462 HydrophobicContact CD2-CG2 4.34Å; F384-V462 HydrophobicContact CE2-CG2 3.98Å; F384-V519 HydrophobicContact CD2-CG1 4.46Å; F384-V519 HydrophobicContact CE2-CG1 3.8Å
385S84.8Confident83.1Confident0 Ų022.1 Ų22.10%014%0.138CC..Hα-helixtrans-76-37.2-178.8-58.80000113.3Y381 Y382 S388 K459Y381-S385 VanDerWaalsContact O-CB 3.27Å; Y381-S385 WeakPolarHBondContact O-CB 3.47Å; Y381-S385 PolarHBondContact O-N 3.5Å; Y381-S385 PolarHBondContact O-OG 2.96Å; Y382-S385 PolarHBondContact O-N 3.45Å; S385-S388 PolarHBondContact O-OG 3.14Å; S385-K459 VanDerWaalsContact OG-CE 3.27Å; S385-K459 WeakPolarHBondContact OG-CE 3.38Å; S385-K459 PolarHBondContact OG-NZ 3.35Å
386L84.1Confident82.9Confident15 Ų1520.4 Ų20.48%0.07913%0.13CC..Hα-helixtrans-80.5-32.4174.1-64.8173.2000111.1L38 V41 Q156 Y382 S388 V389 P502 V505L38-L386 HydrophobicContact CD2-CD2 3.72Å; V41-L386 HydrophobicContact CG2-CD2 3.46Å; V41-L386 VanDerWaalsContact CG2-CD2 3.46Å; Q156-L386 HydrophobicContact CG-CD1 4.19Å; Y382-L386 VanDerWaalsContact O-CB 3.24Å; Y382-L386 WeakPolarHBondContact O-CB 3.3Å; Y382-L386 VanDerWaalsContact O-CG 3.29Å; Y382-L386 WeakPolarHBondContact O-CG 3.41Å; Y382-L386 PolarHBondContact O-N 3.31Å; L386-S388 VanDerWaalsContact C-N 3.29Å; L386-S388 PolarHBondContact O-N 2.84Å; L386-V389 VanDerWaalsContact O-CG2 3.31Å; L386-V389 WeakPolarHBondContact O-CG2 3.25Å; L386-P502 HydrophobicContact CD1-CB 4.2Å; L386-P502 HydrophobicContact CD1-CG 3.92Å; L386-V505 HydrophobicContact CB-CG2 4.03Å
387G80.8Confident82.9Confident13 Ų1323.1 Ų23.113%0.13415%0.148CC..Hα-helixtrans-75.7-13.6175.800000114V383 V389 N390V383-G387 VanDerWaalsContact O-CA 3.28Å; V383-G387 WeakPolarHBondContact O-CA 3.29Å; V383-G387 PolarHBondContact O-N 3.5Å; G387-V389 PolarHBondContact O-N 3.01Å; G387-N390 PolarHBondContact O-N 3.06Å
388S78.3Confident83Confident0 Ų023.3 Ų23.30%015%0.148CC..G310 helixtrans-65.8-26.7-178.1610000113.4F384 S385 L386 N390 L391 N398F384-S388 WeakPolarHBondContact O-CB 3.24Å; F384-S388 PolarHBondContact O-N 3.46Å; S385-S388 PolarHBondContact O-OG 3.14Å; L386-S388 VanDerWaalsContact C-N 3.29Å; L386-S388 PolarHBondContact O-N 2.84Å; S388-N390 VanDerWaalsContact C-N 3.27Å; S388-N390 PolarHBondContact O-N 3.2Å; S388-L391 WeakPolarHBondContact O-CB 3.27Å; S388-N398 VanDerWaalsContact O-CB 3.25Å; S388-N398 WeakPolarHBondContact O-CB 3.27Å
389V77.2Confident82.9Confident20 Ų2023.2 Ų23.212%0.12115%0.147CC..G310 helixtrans-71.5-24.5174.6-63.60000112.5V41 F42 L386 G387 L391 Q395 L399V41-V389 HydrophobicContact CG1-CB 4.1Å; V41-V389 HydrophobicContact CG1-CG1 3.48Å; V41-V389 VanDerWaalsContact CG1-CG1 3.48Å; V41-V389 HydrophobicContact CG1-CG2 3.59Å; F42-V389 HydrophobicContact CE1-CG1 4.37Å; F42-V389 HydrophobicContact CZ-CG1 4.48Å; L386-V389 VanDerWaalsContact O-CG2 3.31Å; L386-V389 WeakPolarHBondContact O-CG2 3.25Å; G387-V389 PolarHBondContact O-N 3.01Å; V389-L391 VanDerWaalsContact C-N 3.3Å; V389-L391 PolarHBondContact O-N 3.05Å; V389-Q395 HydrophobicContact CB-CB 4.08Å; V389-Q395 HydrophobicContact CG1-CB 4.4Å; V389-L399 HydrophobicContact CG1-CB 4.3Å
390N75.2Confident83Confident90 Ų9026.9 Ų26.948%0.48116%0.163SC..G310 helixtrans-8911.2-179.7-62.8-24000113.2G387 S388 G392G387-N390 PolarHBondContact O-N 3.06Å; S388-N390 VanDerWaalsContact C-N 3.27Å; S388-N390 PolarHBondContact O-N 3.2Å; N390-G392 PolarHBondContact O-N 3.43Å
391L70Confident83Confident9 Ų930 Ų305%0.04718%0.18CC..SBendtrans-80.28.8-173.9-70.7174.9000115.1S388 V389 I452 M456S388-L391 WeakPolarHBondContact O-CB 3.27Å; V389-L391 VanDerWaalsContact C-N 3.3Å; V389-L391 PolarHBondContact O-N 3.05Å; L391-I452 HydrophobicContact CB-CG1 4.05Å; L391-M456 HydrophobicContact CD1-CE 3.98Å
392G67.3Low82.9Confident33 Ų3329 Ų2934%0.3418%0.176SC..SBendtrans74.6163.9-172.200000112.1N390 N398N390-G392 PolarHBondContact O-N 3.43Å; G392-N398 PolarHBondContact O-ND2 3.37Å
393G77.8Confident82.9Confident61 Ų6128.1 Ų28.163%0.62917%0.172SC*.SBendtrans68.1-150.4-171.700000113.4Q395G393-Q395 PolarHBondContact O-N 3.28Å
394N84Confident82.9Confident72 Ų7230.9 Ų30.939%0.38519%0.185SC..  trans-83.1110.2-176.3-172.3-46.2000111.5Y396 V397 N398N394-Y396 VanDerWaalsContact C-N 3.28Å; N394-Y396 PolarHBondContact O-N 3.36Å; N394-Y396 WeakPolarHBondContact OD1-CB 3.49Å; N394-Y396 WeakPolarHBondContact OD1-CD2 3.45Å; N394-Y396 PolarHBondContact OD1-N 2.94Å; N394-V397 HydrophobicContact CB-CB 4.24Å; N394-V397 HydrophobicContact CB-CG2 4.03Å; N394-V397 PolarHBondContact O-N 3.19Å; N394-V397 PolarHBondContact OD1-N 3.07Å; N394-N398 VanDerWaalsContact O-CG 3.31Å; N394-N398 PolarHBondContact O-N 3.34Å
395Q85.6Confident82.9Confident23 Ų2331.7 Ų31.711%0.10719%0.191CC..Hα-helixtrans-55.4-35.7179.855.2176.1-39.600114.7F42 E45 V389 G393 N398 L399F42-Q395 HydrophobicContact CE1-CG 4.31Å; E45-Q395 PolarHBondContact OE1-NE2 3.18Å; E45-Q395 PolarHBondContact OE1-OE1 3.07Å; E45-Q395 PolarHBondContact OE2-OE1 3.1Å; V389-Q395 HydrophobicContact CB-CB 4.08Å; V389-Q395 HydrophobicContact CG1-CB 4.4Å; G393-Q395 PolarHBondContact O-N 3.28Å; Q395-N398 PolarHBondContact O-N 3.23Å; Q395-L399 PolarHBondContact O-N 3.16Å
396Y87.8Confident82.8Confident22 Ų2232.3 Ų32.39%0.08619%0.194CC..Hα-helixtrans-69.9-43.3-179.8-53.2-73.4000110.9F42 G259 Y260 N394 N398 L399 F400F42-Y396 HydrophobicContact CD1-CD1 4.24Å; F42-Y396 AromaticContact CD1-CE1 3.71Å; F42-Y396 HydrophobicContact CD1-CE1 3.71Å; F42-Y396 AromaticContact CE1-CD1 3.52Å; F42-Y396 HydrophobicContact CE1-CD1 3.52Å; F42-Y396 AromaticContact CE1-CE1 3.44Å; F42-Y396 HydrophobicContact CE1-CE1 3.44Å; F42-Y396 VanDerWaalsContact CE1-CE1 3.44Å; F42-Y396 HydrophobicContact CE2-CD1 4.13Å; F42-Y396 HydrophobicContact CE2-CE1 4.38Å; F42-Y396 HydrophobicContact CG-CE1 4.32Å; F42-Y396 AromaticContact CZ-CD1 3.45Å; F42-Y396 HydrophobicContact CZ-CD1 3.45Å; F42-Y396 VanDerWaalsContact CZ-CD1 3.45Å; F42-Y396 AromaticContact CZ-CE1 3.81Å; F42-Y396 HydrophobicContact CZ-CE1 3.81Å; F42-Y396 HydrophobicContact CZ-CG 4.46Å; G259-Y396 VanDerWaalsContact O-CE1 3.3Å; G259-Y396 WeakPolarHBondContact O-CE1 3.49Å; Y260-Y396 AromaticContact CD2-CD2 3.9Å; Y260-Y396 HydrophobicContact CD2-CD2 3.9Å; Y260-Y396 HydrophobicContact CD2-CE2 4.5Å; Y260-Y396 HydrophobicContact CD2-CG 4.28Å; N394-Y396 VanDerWaalsContact C-N 3.28Å; N394-Y396 PolarHBondContact O-N 3.36Å; N394-Y396 WeakPolarHBondContact OD1-CB 3.49Å; N394-Y396 WeakPolarHBondContact OD1-CD2 3.45Å; N394-Y396 PolarHBondContact OD1-N 2.94Å; Y396-N398 VanDerWaalsContact C-N 3.34Å; Y396-L399 PolarHBondContact O-N 3.41Å; Y396-F400 WeakPolarHBondContact O-CB 3.41Å; Y396-F400 PolarHBondContact O-N 3.09Å
397V88.1Confident82.9Confident74 Ų7434.4 Ų34.445%0.44821%0.205SC..Hα-helixtrans-64.4-42.5176.3178.10000110.3N394 L399 F400 L401N394-V397 HydrophobicContact CB-CB 4.24Å; N394-V397 HydrophobicContact CB-CG2 4.03Å; N394-V397 PolarHBondContact O-N 3.19Å; N394-V397 PolarHBondContact OD1-N 3.07Å; V397-L399 VanDerWaalsContact C-N 3.34Å; V397-L399 PolarHBondContact O-N 3.45Å; V397-F400 PolarHBondContact O-N 3.42Å; V397-L401 HydrophobicContact CG1-CD1 3.93Å; V397-L401 HydrophobicContact CG1-CG 4.25Å; V397-L401 WeakPolarHBondContact O-CB 3.38Å; V397-L401 WeakPolarHBondContact O-CG 3.41Å; V397-L401 PolarHBondContact O-N 2.8Å
398N88.4Confident83Confident4 Ų439.1 Ų39.12%0.02122%0.221CC..Hα-helixtrans-60.3-43.3178.2-68.1-16.8000112S388 G392 N394 Q395 Y396 A402 I452S388-N398 VanDerWaalsContact O-CB 3.25Å; S388-N398 WeakPolarHBondContact O-CB 3.27Å; G392-N398 PolarHBondContact O-ND2 3.37Å; N394-N398 VanDerWaalsContact O-CG 3.31Å; N394-N398 PolarHBondContact O-N 3.34Å; Q395-N398 PolarHBondContact O-N 3.23Å; Y396-N398 VanDerWaalsContact C-N 3.34Å; N398-A402 VanDerWaalsContact O-CB 3.31Å; N398-A402 WeakPolarHBondContact O-CB 3.34Å; N398-A402 PolarHBondContact O-N 3.11Å; N398-I452 VanDerWaalsContact OD1-CD1 3.3Å; N398-I452 WeakPolarHBondContact OD1-CD1 3.31Å
399L88.1Confident83Confident0 Ų039.3 Ų39.30%022%0.222CC..Hα-helixtrans-68.2-37.6177.2-171.664.7000112.2L38 F42 I252 V255 A256 V389 Q395 Y396 V397 A402 G403L38-L399 HydrophobicContact CD1-CD1 4.09Å; F42-L399 HydrophobicContact CE2-CD2 3.45Å; F42-L399 VanDerWaalsContact CE2-CD2 3.45Å; F42-L399 HydrophobicContact CZ-CD2 3.6Å; I252-L399 HydrophobicContact CG2-CD1 3.83Å; I252-L399 HydrophobicContact CG2-CG 3.91Å; V255-L399 HydrophobicContact CG1-CD2 3.87Å; A256-L399 HydrophobicContact CB-CB 4.04Å; A256-L399 HydrophobicContact CB-CD2 4.1Å; A256-L399 HydrophobicContact CB-CG 4.13Å; V389-L399 HydrophobicContact CG1-CB 4.3Å; Q395-L399 PolarHBondContact O-N 3.16Å; Y396-L399 PolarHBondContact O-N 3.41Å; V397-L399 VanDerWaalsContact C-N 3.34Å; V397-L399 PolarHBondContact O-N 3.45Å; L399-A402 WeakPolarHBondContact O-CB 3.18Å; L399-A402 PolarHBondContact O-N 3.3Å; L399-G403 PolarHBondContact O-N 3.27Å
400F90.8Very high82.9Confident81 Ų8139.2 Ų39.236%0.35522%0.221SC..Hα-helixtrans-62.6-48.5174.9-174.1-87.7000111.7M253 A256 Y396 V397 A402 G403 E404M253-F400 HydrophobicContact CB-CD2 3.91Å; M253-F400 HydrophobicContact CB-CE2 3.98Å; M253-F400 HydrophobicContact CE-CD1 4.34Å; M253-F400 HydrophobicContact CE-CD2 4.05Å; M253-F400 HydrophobicContact CE-CE1 3.71Å; M253-F400 HydrophobicContact CE-CE2 3.38Å; M253-F400 HydrophobicContact CE-CG 4.5Å; M253-F400 HydrophobicContact CE-CZ 3.19Å; M253-F400 HydrophobicContact CG-CD2 4.2Å; M253-F400 HydrophobicContact CG-CE2 4.34Å; A256-F400 HydrophobicContact CB-CB 4.02Å; Y396-F400 WeakPolarHBondContact O-CB 3.41Å; Y396-F400 PolarHBondContact O-N 3.09Å; V397-F400 PolarHBondContact O-N 3.42Å; F400-A402 VanDerWaalsContact C-N 3.25Å; F400-A402 PolarHBondContact O-N 3.34Å; F400-G403 PolarHBondContact O-N 3.24Å; F400-E404 PolarHBondContact O-N 2.8Å
401L87.9Confident82.8Confident65 Ų6542.5 Ų42.534%0.3423%0.231SC..Hα-helixtrans-60.4-36.5174.6-70.2173000111.6V397 G403 E404 C405V397-L401 HydrophobicContact CG1-CD1 3.93Å; V397-L401 HydrophobicContact CG1-CG 4.25Å; V397-L401 WeakPolarHBondContact O-CB 3.38Å; V397-L401 WeakPolarHBondContact O-CG 3.41Å; V397-L401 PolarHBondContact O-N 2.8Å; L401-G403 VanDerWaalsContact C-N 3.29Å; L401-G403 PolarHBondContact O-N 3.45Å; L401-E404 PolarHBondContact O-N 2.89Å; L401-C405 VanDerWaalsContact O-CB 3.26Å; L401-C405 WeakPolarHBondContact O-CB 3.15Å; L401-C405 PolarHBondContact O-N 3.35Å
402A85.3Confident82.9Confident0 Ų045 Ų450%025%0.245CC..Hα-helixtrans-64.8-33175.700000112.5N398 L399 F400 M456 K459N398-A402 VanDerWaalsContact O-CB 3.31Å; N398-A402 WeakPolarHBondContact O-CB 3.34Å; N398-A402 PolarHBondContact O-N 3.11Å; L399-A402 WeakPolarHBondContact O-CB 3.18Å; L399-A402 PolarHBondContact O-N 3.3Å; F400-A402 VanDerWaalsContact C-N 3.25Å; F400-A402 PolarHBondContact O-N 3.34Å; A402-M456 HydrophobicContact CB-CE 3.93Å; A402-M456 HydrophobicContact CB-SD 4.06Å; A402-K459 HydrophobicContact CB-CD 4.42Å; A402-K459 PolarHBondContact O-NZ 2.95Å
403G86.2Confident83Confident0 Ų043.7 Ų43.70%023%0.23CC..Hα-helixtrans-73-45.5172.300000112.4L399 F400 L401 C405 Q406 I407L399-G403 PolarHBondContact O-N 3.27Å; F400-G403 PolarHBondContact O-N 3.24Å; L401-G403 VanDerWaalsContact C-N 3.29Å; L401-G403 PolarHBondContact O-N 3.45Å; G403-C405 VanDerWaalsContact C-N 3.34Å; G403-C405 PolarHBondContact O-N 2.9Å; G403-Q406 WeakPolarHBondContact O-CB 3.35Å; G403-Q406 PolarHBondContact O-N 3.4Å; G403-Q406 VanDerWaalsContact O-N 3.09Å; G403-I407 PolarHBondContact O-N 3.22Å
404E88.4Confident82.5Confident62 Ų6243 Ų4329%0.2921%0.213SC..Hα-helixtrans-60-43.2177.2-168.8-166.4160.300112F400 L401 Q406 I407 K408F400-E404 PolarHBondContact O-N 2.8Å; L401-E404 PolarHBondContact O-N 2.89Å; E404-Q406 PolarHBondContact O-N 3.2Å; E404-I407 PolarHBondContact O-N 3.12Å; E404-I407 VanDerWaalsContact O-N 3.16Å; E404-K408 PolarHBondContact O-N 3.29Å; E404-K408 WeakPolarHBondContact OE1-CE 3.26Å; E404-K408 IonicContact OE1-NZ 3.27Å; E404-K408 PolarHBondContact OE1-NZ 2.7Å
405C84.9Confident81.7Confident21 Ų2143.9 Ų43.914%0.14222%0.218CC..Hα-helixtrans-57.1-38.2175.6-174.60000111.7L401 G403 K408 N409L401-C405 VanDerWaalsContact O-CB 3.26Å; L401-C405 WeakPolarHBondContact O-CB 3.15Å; L401-C405 PolarHBondContact O-N 3.35Å; G403-C405 VanDerWaalsContact C-N 3.34Å; G403-C405 PolarHBondContact O-N 2.9Å; C405-K408 PolarHBondContact O-N 2.87Å; C405-N409 WeakPolarHBondContact O-CB 3.25Å; C405-N409 PolarHBondContact O-N 3.02Å
406Q82.8Confident80.7Confident13 Ų1344.4 Ų44.46%0.06122%0.224CC..Hα-helixtrans-69.7-36.3178.3-175.9170.8-11.200112.7A249 Y381 G403 E404 N409 N410A249-Q406 HydrophobicContact CB-CB 3.96Å; A249-Q406 HydrophobicContact CB-CG 3.88Å; Y381-Q406 VanDerWaalsContact OH-CD 3.23Å; Y381-Q406 PolarHBondContact OH-NE2 3.31Å; Y381-Q406 PolarHBondContact OH-OE1 2.89Å; G403-Q406 WeakPolarHBondContact O-CB 3.35Å; G403-Q406 PolarHBondContact O-N 3.4Å; G403-Q406 VanDerWaalsContact O-N 3.09Å; E404-Q406 PolarHBondContact O-N 3.2Å; Q406-N409 WeakPolarHBondContact O-CB 3.36Å; Q406-N409 PolarHBondContact O-N 3.3Å; Q406-N410 VanDerWaalsContact O-CG 3.29Å; Q406-N410 PolarHBondContact O-N 3.5Å; Q406-N410 VanDerWaalsContact O-N 3.12Å; Q406-N410 PolarHBondContact O-OD1 3.41Å
407I85.8Confident79.6Confident60 Ų6044.9 Ų44.931%0.30823%0.227SC..Hα-helixtrans-64.4-47.3174.5-63172.1000110A249 V250 M253 G403 E404 N409 N410 F411A249-I407 HydrophobicContact CB-CG1 3.82Å; V250-I407 HydrophobicContact CG2-CD1 3.98Å; M253-I407 HydrophobicContact SD-CD1 3.64Å; G403-I407 PolarHBondContact O-N 3.22Å; E404-I407 PolarHBondContact O-N 3.12Å; E404-I407 VanDerWaalsContact O-N 3.16Å; I407-N409 PolarHBondContact O-N 2.84Å; I407-N410 PolarHBondContact O-N 3.26Å; I407-F411 PolarHBondContact O-N 3.02Å
408K83.2Confident78.3Confident112 Ų11245.6 Ų45.649%0.48724%0.236SC..Hα-helixtrans-59.3-38.4175.3-68.4176.2-176.3169.90111.3E404 C405 F411 N412E404-K408 PolarHBondContact O-N 3.29Å; E404-K408 WeakPolarHBondContact OE1-CE 3.26Å; E404-K408 IonicContact OE1-NZ 3.27Å; E404-K408 PolarHBondContact OE1-NZ 2.7Å; C405-K408 PolarHBondContact O-N 2.87Å; K408-F411 PolarHBondContact O-N 2.8Å; K408-N412 PolarHBondContact O-N 3.39Å; K408-N412 VanDerWaalsContact O-N 3.11Å; K408-N412 PolarHBondContact O-ND2 3.12Å
409N78.7Confident76.8Confident4 Ų451 Ų512%0.02126%0.263CS..Hα-helixtrans-59.5-46.7176.7-172.765.3000112.8C405 Q406 I407 F411 N412 Y413 F460 A463 I464C405-N409 WeakPolarHBondContact O-CB 3.25Å; C405-N409 PolarHBondContact O-N 3.02Å; Q406-N409 WeakPolarHBondContact O-CB 3.36Å; Q406-N409 PolarHBondContact O-N 3.3Å; I407-N409 PolarHBondContact O-N 2.84Å; N409-F411 VanDerWaalsContact C-N 3.29Å; N409-F411 PolarHBondContact O-N 2.72Å; N409-N412 PolarHBondContact O-N 3.32Å; N409-Y413 WeakPolarHBondContact O-CB 3.39Å; N409-Y413 PolarHBondContact O-N 3.21Å; N409-F460 VanDerWaalsContact CA-CE2 3.48Å; N409-F460 HydrophobicContact CB-CD2 3.77Å; N409-F460 HydrophobicContact CB-CE2 3.79Å; N409-F460 WeakPolarHBondContact OD1-CD2 3Å; N409-F460 WeakPolarHBondContact OD1-CE2 3.41Å; N409-F460 PolarHBondContact OD1-O 3.34Å; N409-A463 VanDerWaalsContact ND2-CB 3.3Å; N409-A463 WeakPolarHBondContact ND2-CB 3.1Å; N409-I464 PolarHBondContact ND2-N 2.75Å; N409-I464 WeakPolarHBondContact OD1-CG1 3.43Å
410N73.9Confident75.4Confident18 Ų1854.6 Ų54.610%0.09628%0.282CS..Hα-helixtrans-63.6-35-178.1-64.4-13.2000112.4M242 A246 Q406 I407 T414M242-N410 PolarHBondContact O-ND2 2.82Å; A246-N410 PolarHBondContact N-ND2 3.2Å; Q406-N410 VanDerWaalsContact O-CG 3.29Å; Q406-N410 PolarHBondContact O-N 3.5Å; Q406-N410 VanDerWaalsContact O-N 3.12Å; Q406-N410 PolarHBondContact O-OD1 3.41Å; I407-N410 PolarHBondContact O-N 3.26Å; N410-T414 PolarHBondContact O-N 3.2Å; N410-T414 PolarHBondContact O-OG1 3.02Å
411F74.9Confident74Confident158 Ų15856.2 Ų56.269%0.69329%0.289SS*.Hα-helixtrans-68-48.5174.5-173.3-98.9000111.8I407 K408 N409 Y413 T414 L415I407-F411 PolarHBondContact O-N 3.02Å; K408-F411 PolarHBondContact O-N 2.8Å; N409-F411 VanDerWaalsContact C-N 3.29Å; N409-F411 PolarHBondContact O-N 2.72Å; F411-Y413 PolarHBondContact O-N 3.01Å; F411-T414 PolarHBondContact O-N 3.3Å; F411-L415 PolarHBondContact O-N 3Å
412N71.2Confident73Confident61 Ų6154 Ų5433%0.32628%0.276SS..Hα-helixtrans-62-41.9178.2-75.9-64.3000112.2K408 N409 T414 L415 S416 F460K408-N412 PolarHBondContact O-N 3.39Å; K408-N412 VanDerWaalsContact O-N 3.11Å; K408-N412 PolarHBondContact O-ND2 3.12Å; N409-N412 PolarHBondContact O-N 3.32Å; N412-T414 VanDerWaalsContact C-N 3.29Å; N412-T414 PolarHBondContact O-N 3.29Å; N412-L415 WeakPolarHBondContact O-CB 3.25Å; N412-L415 PolarHBondContact O-N 3.05Å; N412-L415 VanDerWaalsContact O-N 3.12Å; N412-S416 PolarHBondContact O-N 3.41Å; N412-S416 PolarHBondContact O-OG 3.05Å; N412-F460 HydrophobicContact CB-CZ 4.03Å
413Y69.1Low71.8Confident7 Ų755.2 Ų55.23%0.02728%0.283CS..Hα-helixtrans-53.5-46.3175.1173.2-89000112.1M242 N409 F411 L415 S416 I417 G467 L468M242-Y413 HydrophobicContact CE-CD1 3.66Å; M242-Y413 HydrophobicContact CE-CE1 3.26Å; M242-Y413 HydrophobicContact CG-CD1 4.36Å; M242-Y413 HydrophobicContact SD-CD1 3.5Å; M242-Y413 WeakPolarHBondContact SD-CD1 3.2Å; M242-Y413 HydrophobicContact SD-CE1 3.81Å; M242-Y413 HydrophobicContact SD-CG 4.33Å; N409-Y413 WeakPolarHBondContact O-CB 3.39Å; N409-Y413 PolarHBondContact O-N 3.21Å; F411-Y413 PolarHBondContact O-N 3.01Å; Y413-L415 VanDerWaalsContact C-N 3.29Å; Y413-L415 PolarHBondContact O-N 3.42Å; Y413-S416 PolarHBondContact O-N 3.39Å; Y413-I417 HydrophobicContact CE1-CD1 3.69Å; Y413-I417 HydrophobicContact CE2-CD1 4.32Å; Y413-I417 PolarHBondContact O-N 2.89Å; Y413-I417 VanDerWaalsContact OH-CD1 3.31Å; Y413-I417 WeakPolarHBondContact OH-CD1 3.35Å; Y413-G467 PolarHBondContact OH-O 3.22Å; Y413-L468 HydrophobicContact CD2-CD2 4.19Å; Y413-L468 HydrophobicContact CD2-CG 4.19Å; Y413-L468 HydrophobicContact CE2-CB 4.25Å; Y413-L468 HydrophobicContact CE2-CD2 3.44Å; Y413-L468 VanDerWaalsContact CE2-CD2 3.44Å; Y413-L468 HydrophobicContact CE2-CG 3.57Å
414T66.9Low70.5Confident46 Ų4660.4 Ų60.428%0.28231%0.31SS..Hα-helixtrans-63-37.7-179.7-55.10000111.5N410 F411 N412 I417N410-T414 PolarHBondContact O-N 3.2Å; N410-T414 PolarHBondContact O-OG1 3.02Å; F411-T414 PolarHBondContact O-N 3.3Å; N412-T414 VanDerWaalsContact C-N 3.29Å; N412-T414 PolarHBondContact O-N 3.29Å; T414-I417 WeakPolarHBondContact O-CG2 3.41Å
415L67.7Low69.3Low91 Ų9158.1 Ų58.148%0.47630%0.299SS..Hα-helixtrans-69.7-48175.6-173.365.8000111.1F411 N412 Y413 I417 S418 I419F411-L415 PolarHBondContact O-N 3Å; N412-L415 WeakPolarHBondContact O-CB 3.25Å; N412-L415 PolarHBondContact O-N 3.05Å; N412-L415 VanDerWaalsContact O-N 3.12Å; Y413-L415 VanDerWaalsContact C-N 3.29Å; Y413-L415 PolarHBondContact O-N 3.42Å; L415-I417 VanDerWaalsContact C-N 3.32Å; L415-I417 PolarHBondContact O-N 2.98Å; L415-S418 PolarHBondContact O-N 3.13Å; L415-S418 PolarHBondContact O-OG 2.85Å; L415-I419 HydrophobicContact CD1-CD1 3.8Å; L415-I419 HydrophobicContact CG-CD1 4.04Å
416S64.8Low68.2Low34 Ų3457.6 Ų57.624%0.23830%0.296CS..Hα-helixtrans-61.6-37.6-176.8-57.70000112.9N412 Y413 S418 I419 L420N412-S416 PolarHBondContact O-N 3.41Å; N412-S416 PolarHBondContact O-OG 3.05Å; Y413-S416 PolarHBondContact O-N 3.39Å; S416-S418 PolarHBondContact O-N 2.94Å; S416-I419 PolarHBondContact O-N 3.34Å; S416-L420 PolarHBondContact O-N 3.49Å
417I65.3Low67.3Low32 Ų3257.7 Ų57.716%0.16430%0.297CS..Hα-helixtrans-66.6-24.8-179-139.3166000113.4Y413 T414 L415 L468 L471Y413-I417 HydrophobicContact CE1-CD1 3.69Å; Y413-I417 HydrophobicContact CE2-CD1 4.32Å; Y413-I417 PolarHBondContact O-N 2.89Å; Y413-I417 VanDerWaalsContact OH-CD1 3.31Å; Y413-I417 WeakPolarHBondContact OH-CD1 3.35Å; T414-I417 WeakPolarHBondContact O-CG2 3.41Å; L415-I417 VanDerWaalsContact C-N 3.32Å; L415-I417 PolarHBondContact O-N 2.98Å; I417-L468 HydrophobicContact CD1-CD2 4.06Å; I417-L468 HydrophobicContact CG1-CD2 4.1Å; I417-L471 HydrophobicContact CD1-CD2 3.23Å; I417-L471 HydrophobicContact CG1-CD2 4.07Å
418S60.8Low66.4Low89 Ų8958.3 Ų58.362%0.62231%0.305SS*.Hα-helixtrans-87-14.1-178.166.10000113.5L415 S416L415-S418 PolarHBondContact O-N 3.13Å; L415-S418 PolarHBondContact O-OG 2.85Å; S416-S418 PolarHBondContact O-N 2.94Å
419I56.5Low65.7Low116 Ų11654.3 Ų54.360%0.59529%0.29SS*.Hα-helixtrans-123-36.4-169.2-54.2173.9000112.3L415 S416L415-I419 HydrophobicContact CD1-CD1 3.8Å; L415-I419 HydrophobicContact CG-CD1 4.04Å; S416-I419 PolarHBondContact O-N 3.34Å
420L59.4Low65.2Low76 Ų7654.3 Ų54.340%0.39829%0.29SS..SBendtrans-110.3148.1-171.6-102.370.3000113.3S416 I425S416-L420 PolarHBondContact O-N 3.49Å; L420-I425 HydrophobicContact CB-CD1 3.59Å; L420-I425 HydrophobicContact CB-CG1 3.74Å; L420-I425 HydrophobicContact CD2-CD1 4.47Å; L420-I425 HydrophobicContact CD2-CG1 3.78Å; L420-I425 HydrophobicContact CG-CG1 4.41Å
421K61.5Low65.2Low116 Ų11656.5 Ų56.550%0.50430%0.301SS..  trans-59.8141.9166.7-70.6-179-179.1-170.70110.9L424 I425 L537K421-L424 HydrophobicContact CB-CB 3.99Å; K421-L424 HydrophobicContact CB-CD1 4.47Å; K421-L424 VanDerWaalsContact O-CB 3.26Å; K421-L424 WeakPolarHBondContact O-CB 3.37Å; K421-L424 PolarHBondContact O-N 3.44Å; K421-I425 PolarHBondContact O-N 3.35Å; K421-L537 HydrophobicContact CB-CD2 4.29Å; K421-L537 HydrophobicContact CG-CB 4.35Å; K421-L537 HydrophobicContact CG-CD2 3.61Å
422R65.3Low65.1Low19 Ų1950.8 Ų50.87%0.07228%0.282CS..Hα-helixtrans-72.8-42.2-164.5-73.6155.3175.6-100.17.1112.5L424 I425 C426 L471 E475 E535 L537R422-L424 PolarHBondContact O-N 2.9Å; R422-I425 PolarHBondContact O-N 2.87Å; R422-C426 PolarHBondContact O-N 3.18Å; R422-C426 PolarHBondContact O-SG 3Å; R422-C426 VanDerWaalsContact O-SG 3.34Å; R422-L471 VanDerWaalsContact CZ-CD2 3.45Å; R422-L471 VanDerWaalsContact NH1-CD2 3.27Å; R422-L471 VanDerWaalsContact NH2-CG 3.31Å; R422-E475 VanDerWaalsContact CD-OE2 3.23Å; R422-E475 WeakPolarHBondContact CD-OE2 3.39Å; R422-E475 IonicContact CZ-OE1 2.63Å; R422-E475 IonicContact CZ-OE2 3.37Å; R422-E475 IonicContact NE-OE1 3.76Å; R422-E475 PolarHBondContact NE-OE1 3.41Å; R422-E475 IonicContact NE-OE2 2.63Å; R422-E475 PolarHBondContact NE-OE2 3.49Å; R422-E475 VanDerWaalsContact NE-OE2 3.12Å; R422-E475 IonicContact NH1-OE1 2.75Å; R422-E475 IonicContact NH1-OE2 2.66Å; R422-E475 PolarHBondContact NH1-OE2 2.83Å; R422-E475 IonicContact NH2-OE1 3.55Å; R422-E475 PolarHBondContact NH2-OE1 2.86Å; R422-E475 IonicContact NH2-OE2 3.56Å; R422-E535 PolarHBondContact N-OE1 3.02Å; R422-E535 VanDerWaalsContact N-OE1 3.08Å; R422-L537 HydrophobicContact CG-CD1 4.49Å
423L59.9Low65.1Low25 Ų2547.9 Ų47.913%0.13127%0.267CS..Hα-helixtrans-69.6-28.7175.1-64.4169.7000111.5I425 C426 V427 Y472 T530 L533 E535L423-I425 PolarHBondContact O-N 3.34Å; L423-C426 PolarHBondContact O-N 3.34Å; L423-V427 WeakPolarHBondContact O-CB 3.36Å; L423-V427 WeakPolarHBondContact O-CG2 3.46Å; L423-V427 PolarHBondContact O-N 3.44Å; L423-Y472 HydrophobicContact CD2-CE2 4.36Å; L423-T530 HydrophobicContact CD2-CG2 3.79Å; L423-L533 WeakPolarHBondContact CD1-O 3.19Å; L423-E535 VanDerWaalsContact CB-OE2 3.25Å; L423-E535 WeakPolarHBondContact CB-OE2 3.1Å; L423-E535 VanDerWaalsContact CD1-CA 3.5Å; L423-E535 HydrophobicContact CD1-CB 3.89Å
424L58.8Low65.1Low109 Ų10948 Ų4857%0.57127%0.269SS*.Hα-helixtrans-65.3-20175.1-129.9106.3000112.9K421 R422 P428K421-L424 HydrophobicContact CB-CB 3.99Å; K421-L424 HydrophobicContact CB-CD1 4.47Å; K421-L424 VanDerWaalsContact O-CB 3.26Å; K421-L424 WeakPolarHBondContact O-CB 3.37Å; K421-L424 PolarHBondContact O-N 3.44Å; R422-L424 PolarHBondContact O-N 2.9Å; L424-P428 VanDerWaalsContact O-CD 3.31Å; L424-P428 WeakPolarHBondContact O-CD 3.48Å; L424-P428 VanDerWaalsContact O-CG 3.27Å; L424-P428 WeakPolarHBondContact O-CG 3.07Å
425I63.5Low65.5Low13 Ų1351.7 Ų51.77%0.06728%0.281CS..Hα-helixtrans-96.5-46.9172.5-56.8160000110.7L420 K421 R422 L423 V429 I464 L468L420-I425 HydrophobicContact CB-CD1 3.59Å; L420-I425 HydrophobicContact CB-CG1 3.74Å; L420-I425 HydrophobicContact CD2-CD1 4.47Å; L420-I425 HydrophobicContact CD2-CG1 3.78Å; L420-I425 HydrophobicContact CG-CG1 4.41Å; K421-I425 PolarHBondContact O-N 3.35Å; R422-I425 PolarHBondContact O-N 2.87Å; L423-I425 PolarHBondContact O-N 3.34Å; I425-V429 HydrophobicContact CG2-CG2 4.33Å; I425-V429 VanDerWaalsContact O-CB 3.24Å; I425-V429 WeakPolarHBondContact O-CB 3.33Å; I425-V429 WeakPolarHBondContact O-CG2 3.26Å; I425-V429 PolarHBondContact O-N 3.25Å; I425-I464 HydrophobicContact CG2-CG2 3.73Å; I425-L468 HydrophobicContact CB-CD1 3.79Å; I425-L468 HydrophobicContact CD1-CD1 4.39Å; I425-L468 HydrophobicContact CG2-CD1 3.59Å
426C63Low65.7Low11 Ų1149.9 Ų49.97%0.07427%0.27CS..Hα-helixtrans-64.9-45.1-173.5-67.10000112.9R422 L423 Y430 L468 T530R422-C426 PolarHBondContact O-N 3.18Å; R422-C426 PolarHBondContact O-SG 3Å; R422-C426 VanDerWaalsContact O-SG 3.34Å; L423-C426 PolarHBondContact O-N 3.34Å; C426-Y430 HydrophobicContact CB-CD2 4.5Å; C426-Y430 WeakPolarHBondContact O-CD2 3.27Å; C426-Y430 PolarHBondContact O-N 3.12Å; C426-L468 VanDerWaalsContact SG-CB 3.6Å; C426-L468 WeakPolarHBondContact SG-CD1 3.03Å; C426-T530 HydrophobicContact CB-CG2 4.49Å
427V63.2Low66Low15 Ų1548.7 Ų48.79%0.09126%0.261CS..Hα-helixtrans-68.1-51.5-172.1173.40000111.9L423 V429 Y430 I431 T530 L531L423-V427 WeakPolarHBondContact O-CB 3.36Å; L423-V427 WeakPolarHBondContact O-CG2 3.46Å; L423-V427 PolarHBondContact O-N 3.44Å; V427-V429 PolarHBondContact O-N 3.35Å; V427-Y430 PolarHBondContact O-N 3.4Å; V427-I431 HydrophobicContact CG1-CD1 3.54Å; V427-I431 HydrophobicContact CG1-CG1 4.38Å; V427-I431 WeakPolarHBondContact O-CB 3.33Å; V427-I431 VanDerWaalsContact O-CG1 3.27Å; V427-I431 WeakPolarHBondContact O-CG1 3.37Å; V427-I431 PolarHBondContact O-N 3.24Å; V427-T530 HydrophobicContact CG2-CG2 4.18Å; V427-L531 HydrophobicContact CB-CD2 4.44Å; V427-L531 HydrophobicContact CG1-CD1 4.11Å; V427-L531 HydrophobicContact CG1-CD2 3.85Å; V427-L531 HydrophobicContact CG1-CG 3.84Å; V427-L531 HydrophobicContact CG2-CD2 3.94Å; V427-L531 HydrophobicContact CG2-CG 4.03Å
428P66.1Low66.2Low73 Ų7352.1 Ų52.147%0.47428%0.278SS..Hα-helixtrans-63.5-34.1-179.4-21.534.4000112.1L424 I431 A432L424-P428 VanDerWaalsContact O-CD 3.31Å; L424-P428 WeakPolarHBondContact O-CD 3.48Å; L424-P428 VanDerWaalsContact O-CG 3.27Å; L424-P428 WeakPolarHBondContact O-CG 3.07Å; P428-I431 PolarHBondContact O-N 3.47Å; P428-A432 WeakPolarHBondContact O-CB 3.45Å; P428-A432 PolarHBondContact O-N 3.08Å
429V69.3Low66.8Low28 Ų2850.7 Ų50.717%0.1726%0.263CS..Hα-helixtrans-68.7-44.8-179170.80000111.7I425 V427 I431 S433 A461 A465I425-V429 HydrophobicContact CG2-CG2 4.33Å; I425-V429 VanDerWaalsContact O-CB 3.24Å; I425-V429 WeakPolarHBondContact O-CB 3.33Å; I425-V429 WeakPolarHBondContact O-CG2 3.26Å; I425-V429 PolarHBondContact O-N 3.25Å; V427-V429 PolarHBondContact O-N 3.35Å; V429-I431 VanDerWaalsContact C-N 3.35Å; V429-S433 PolarHBondContact O-N 3.14Å; V429-S433 VanDerWaalsContact O-N 3.15Å; V429-A461 VanDerWaalsContact CG1-CA 3.42Å; V429-A461 HydrophobicContact CG1-CB 3.57Å; V429-A461 WeakPolarHBondContact CG1-O 3.44Å; V429-A465 HydrophobicContact CG1-CB 4.14Å
430Y69.4Low67.4Low4 Ų446.1 Ų46.12%0.01624%0.238CC..Hα-helixtrans-67.5-34.3174.7-81.8-57.3000112.8I373 C426 V427 P434 A465 A523 I526I373-Y430 HydrophobicContact CG2-CE2 4.31Å; I373-Y430 WeakPolarHBondContact CG2-OH 3.48Å; C426-Y430 HydrophobicContact CB-CD2 4.5Å; C426-Y430 WeakPolarHBondContact O-CD2 3.27Å; C426-Y430 PolarHBondContact O-N 3.12Å; V427-Y430 PolarHBondContact O-N 3.4Å; Y430-P434 WeakPolarHBondContact O-CD 3.4Å; Y430-A465 HydrophobicContact CD1-CB 4.26Å; Y430-A465 HydrophobicContact CD2-CB 3.99Å; Y430-A465 HydrophobicContact CE1-CB 3.69Å; Y430-A465 HydrophobicContact CE2-CB 3.41Å; Y430-A465 VanDerWaalsContact CE2-CB 3.41Å; Y430-A465 HydrophobicContact CG-CB 4.37Å; Y430-A465 WeakPolarHBondContact OH-CB 3.01Å; Y430-A523 HydrophobicContact CD1-CB 4.34Å; Y430-I526 HydrophobicContact CD1-CG2 3.83Å; Y430-I526 HydrophobicContact CD2-CG2 4.43Å; Y430-I526 HydrophobicContact CE1-CG2 4.02Å; Y430-I526 HydrophobicContact CG-CG2 4.07Å
431I72.7Confident67.8Low64 Ų6443.9 Ų43.933%0.32823%0.229SC..Hα-helixtrans-76.3-33178.1-66.1174.7000111.9V427 P428 V429 P434 F524V427-I431 HydrophobicContact CG1-CD1 3.54Å; V427-I431 HydrophobicContact CG1-CG1 4.38Å; V427-I431 WeakPolarHBondContact O-CB 3.33Å; V427-I431 VanDerWaalsContact O-CG1 3.27Å; V427-I431 WeakPolarHBondContact O-CG1 3.37Å; V427-I431 PolarHBondContact O-N 3.24Å; P428-I431 PolarHBondContact O-N 3.47Å; V429-I431 VanDerWaalsContact C-N 3.35Å; I431-P434 WeakPolarHBondContact O-CD 3.31Å; I431-P434 WeakPolarHBondContact O-CG 3.49Å; I431-F524 HydrophobicContact CG2-CE2 4.41Å
432A72Confident68.1Low37 Ų3742.3 Ų42.331%0.30624%0.238SC..Hα-helixtrans-77.1-32.8179.700000113.4P428 F435 F436P428-A432 WeakPolarHBondContact O-CB 3.45Å; P428-A432 PolarHBondContact O-N 3.08Å; A432-F435 WeakPolarHBondContact O-CB 3.25Å; A432-F435 PolarHBondContact O-N 3.49Å; A432-F436 HydrophobicContact CB-CE2 4.04Å; A432-F436 WeakPolarHBondContact O-CD2 3.27Å; A432-F436 PolarHBondContact O-N 3.05Å
433S71.7Confident68.1Low1 Ų147 Ų471%0.00726%0.256CS..Hα-helixtrans-51.2-47.5177.3178.80000114.6V429 F435 F436 C437V429-S433 PolarHBondContact O-N 3.14Å; V429-S433 VanDerWaalsContact O-N 3.15Å; S433-F435 VanDerWaalsContact C-N 3.3Å; S433-F435 PolarHBondContact O-N 3.07Å; S433-F436 PolarHBondContact O-N 3.39Å; S433-C437 PolarHBondContact O-N 3.09Å; S433-C437 PolarHBondContact O-SG 3.15Å
434P69.9Low67.9Low9 Ų953.1 Ų53.16%0.05828%0.278CS..Hα-helixtrans-60.3-34.9175.2-5.21.7000113.7Y430 I431 C437 M438 G520 F524Y430-P434 WeakPolarHBondContact O-CD 3.4Å; I431-P434 WeakPolarHBondContact O-CD 3.31Å; I431-P434 WeakPolarHBondContact O-CG 3.49Å; P434-C437 PolarHBondContact O-N 3.18Å; P434-M438 WeakPolarHBondContact O-CG 3.49Å; P434-M438 PolarHBondContact O-N 2.82Å; P434-G520 WeakPolarHBondContact CB-O 3.41Å; P434-G520 VanDerWaalsContact CG-O 3.28Å; P434-G520 WeakPolarHBondContact CG-O 3.48Å; P434-F524 HydrophobicContact CB-CB 4.33Å; P434-F524 HydrophobicContact CG-CB 3.66Å; P434-F524 HydrophobicContact CG-CD2 4.31Å; P434-F524 HydrophobicContact CG-CG 4.47Å
435F75.1Confident67.6Low124 Ų12456.1 Ų56.154%0.54429%0.289SS..Hα-helixtrans-63.3-44179.6-172.8-104.5000111.1A432 S433 C437 M438 I439A432-F435 WeakPolarHBondContact O-CB 3.25Å; A432-F435 PolarHBondContact O-N 3.49Å; S433-F435 VanDerWaalsContact C-N 3.3Å; S433-F435 PolarHBondContact O-N 3.07Å; F435-C437 VanDerWaalsContact C-N 3.34Å; F435-C437 PolarHBondContact O-N 3.39Å; F435-M438 PolarHBondContact O-N 3.14Å; F435-I439 HydrophobicContact CD1-CD1 3.55Å; F435-I439 HydrophobicContact CD1-CG1 4.47Å; F435-I439 HydrophobicContact CE1-CD1 3.27Å; F435-I439 HydrophobicContact CE1-CG1 4.3Å; F435-I439 HydrophobicContact CG-CD1 4.34Å; F435-I439 HydrophobicContact CZ-CD1 3.84Å; F435-I439 VanDerWaalsContact O-CG1 3.32Å; F435-I439 WeakPolarHBondContact O-CG1 3.4Å; F435-I439 PolarHBondContact O-N 2.79Å
436F72.2Confident67.1Low53 Ų5363.6 Ų63.623%0.23232%0.323CS..Hα-helixtrans-65-36.3175.1-62.4-63.9000112.7A432 S433 K440 L454 I457A432-F436 HydrophobicContact CB-CE2 4.04Å; A432-F436 WeakPolarHBondContact O-CD2 3.27Å; A432-F436 PolarHBondContact O-N 3.05Å; S433-F436 PolarHBondContact O-N 3.39Å; F436-K440 PolarHBondContact O-N 3.36Å; F436-L454 HydrophobicContact CB-CD2 4.29Å; F436-L454 HydrophobicContact CD1-CD2 3.62Å; F436-L454 HydrophobicContact CE1-CD2 4.48Å; F436-L454 HydrophobicContact CG-CD2 4.42Å; F436-I457 HydrophobicContact CD1-CG2 4.21Å; F436-I457 HydrophobicContact CD2-CG2 3.76Å; F436-I457 HydrophobicContact CE1-CG2 3.97Å; F436-I457 HydrophobicContact CE2-CG2 3.5Å; F436-I457 VanDerWaalsContact CE2-CG2 3.5Å; F436-I457 HydrophobicContact CG-CG2 4.12Å; F436-I457 HydrophobicContact CZ-CG2 3.61Å
437C70.3Confident67Low9 Ų966.5 Ų66.56%0.06134%0.337CS..Hα-helixtrans-67.5-41.1176-62.30000112.2S433 P434 F435 K440 S441S433-C437 PolarHBondContact O-N 3.09Å; S433-C437 PolarHBondContact O-SG 3.15Å; P434-C437 PolarHBondContact O-N 3.18Å; F435-C437 VanDerWaalsContact C-N 3.34Å; F435-C437 PolarHBondContact O-N 3.39Å; C437-K440 PolarHBondContact O-N 3.23Å; C437-S441 PolarHBondContact O-N 3.47Å; C437-S441 VanDerWaalsContact O-N 3.12Å
438M70.8Confident67.4Low103 Ų10370.4 Ų70.451%0.50736%0.358SS..Hα-helixtrans-67.8-41.1177-73.9-171.7-6900112.2P434 F435 K440 S441 A442P434-M438 WeakPolarHBondContact O-CG 3.49Å; P434-M438 PolarHBondContact O-N 2.82Å; F435-M438 PolarHBondContact O-N 3.14Å; M438-K440 VanDerWaalsContact C-N 3.3Å; M438-K440 PolarHBondContact O-N 3.47Å; M438-S441 PolarHBondContact O-N 3.44Å; M438-S441 VanDerWaalsContact O-N 3.14Å; M438-A442 PolarHBondContact O-N 2.68Å
439I72.7Confident68Low60 Ų6070.9 Ų70.931%0.30836%0.363SS..Hα-helixtrans-58.3-44.7174.6-70.8168.4000110.5F435 S441 A442 Y443 L454F435-I439 HydrophobicContact CD1-CD1 3.55Å; F435-I439 HydrophobicContact CD1-CG1 4.47Å; F435-I439 HydrophobicContact CE1-CD1 3.27Å; F435-I439 HydrophobicContact CE1-CG1 4.3Å; F435-I439 HydrophobicContact CG-CD1 4.34Å; F435-I439 HydrophobicContact CZ-CD1 3.84Å; F435-I439 VanDerWaalsContact O-CG1 3.32Å; F435-I439 WeakPolarHBondContact O-CG1 3.4Å; F435-I439 PolarHBondContact O-N 2.79Å; I439-S441 VanDerWaalsContact C-N 3.32Å; I439-S441 PolarHBondContact O-N 3.23Å; I439-A442 PolarHBondContact O-N 3.39Å; I439-Y443 PolarHBondContact O-N 3.42Å; I439-L454 HydrophobicContact CB-CD1 4.36Å; I439-L454 HydrophobicContact CG2-CD1 3.67Å; I439-L454 HydrophobicContact CG2-CD2 4.27Å
440K68.7Low68.4Low20 Ų2072.7 Ų72.79%0.08737%0.371CS..Hα-helixtrans-61.2-40.8176.6-179.7177.5160.9-166.20112.1F436 C437 M438 A442 A451 L454 Y513 Q516F436-K440 PolarHBondContact O-N 3.36Å; C437-K440 PolarHBondContact O-N 3.23Å; M438-K440 VanDerWaalsContact C-N 3.3Å; M438-K440 PolarHBondContact O-N 3.47Å; K440-A442 VanDerWaalsContact C-N 3.28Å; K440-A442 PolarHBondContact O-N 3.07Å; K440-A451 HydrophobicContact CD-CB 4.32Å; K440-A451 HydrophobicContact CG-CB 4.44Å; K440-L454 HydrophobicContact CB-CD1 4.31Å; K440-Y513 HydrophobicContact CG-CD1 4.28Å; K440-Y513 HydrophobicContact CG-CE1 4.18Å; K440-Q516 VanDerWaalsContact NZ-CD 3.27Å
441S67.6Low68.7Low28 Ų2873.4 Ų73.420%0.19638%0.378CS..Hα-helixtrans-66.7-29.1177.3-174.30000113.1C437 M438 I439C437-S441 PolarHBondContact O-N 3.47Å; C437-S441 VanDerWaalsContact O-N 3.12Å; M438-S441 PolarHBondContact O-N 3.44Å; M438-S441 VanDerWaalsContact O-N 3.14Å; I439-S441 VanDerWaalsContact C-N 3.32Å; I439-S441 PolarHBondContact O-N 3.23Å
442A67.7Low69Low84 Ų8471.6 Ų71.669%0.69437%0.369SS*.Hα-helixtrans-80.9-34179.200000112.5M438 I439 K440 R444M438-A442 PolarHBondContact O-N 2.68Å; I439-A442 PolarHBondContact O-N 3.39Å; K440-A442 VanDerWaalsContact C-N 3.28Å; K440-A442 PolarHBondContact O-N 3.07Å; A442-R444 VanDerWaalsContact C-N 3.3Å; A442-R444 PolarHBondContact O-N 3.23Å
443Y65.8Low69.4Low116 Ų11672.1 Ų72.146%0.45537%0.373SS..  trans-85.272.3-179-147.9-98.2000111.2I439 Q445 I447 L450I439-Y443 PolarHBondContact O-N 3.42Å; Y443-Q445 PolarHBondContact O-N 3.19Å; Y443-I447 HydrophobicContact CE1-CB 4.37Å; Y443-I447 HydrophobicContact CE1-CD1 4.05Å; Y443-I447 HydrophobicContact CE1-CG1 4.05Å; Y443-L450 HydrophobicContact CD1-CD2 4.03Å; Y443-L450 HydrophobicContact CE1-CD2 4.12Å; Y443-L450 HydrophobicContact CG-CD2 4.33Å
444R55.2Low69.8Low155 Ų15572.9 Ų72.959%0.58538%0.377SS*.  trans-86.391.9-179.8-162.6157.4-162.3177.40.8109.1A442 Y513A442-R444 VanDerWaalsContact C-N 3.3Å; A442-R444 PolarHBondContact O-N 3.23Å; R444-Y513 HydrophobicContact CG-CE2 4.48Å
445Q52.5Low70.2Confident171 Ų17172.7 Ų72.780%0.79938%0.376SS*.SBendtrans140-13.5140.4-78.2178.8-41.200120.3Y443Y443-Q445 PolarHBondContact O-N 3.19Å
446E54.1Low70.6Confident170 Ų17067.9 Ų67.979%0.79436%0.355SS*.SBendtrans-117.2-10-164-66.2-168.1172.400118.4
447I60.9Low71.1Confident72 Ų7269 Ų6937%0.36936%0.363SS..  trans-142.192.2-176-48.5175.8000112.1Y443 S449 L450 A451Y443-I447 HydrophobicContact CE1-CB 4.37Å; Y443-I447 HydrophobicContact CE1-CD1 4.05Å; Y443-I447 HydrophobicContact CE1-CG1 4.05Å; I447-S449 WeakPolarHBondContact CG2-OG 3.45Å; I447-S449 PolarHBondContact O-N 2.97Å; I447-L450 HydrophobicContact CB-CB 3.97Å; I447-L450 HydrophobicContact CG2-CB 3.77Å; I447-L450 PolarHBondContact O-N 3.48Å; I447-L450 VanDerWaalsContact O-N 3.15Å; I447-A451 PolarHBondContact O-N 2.8Å
448D71.4Confident71.5Confident98 Ų9868.7 Ų68.752%0.52436%0.361SS..Hα-helixtrans-55-37.1175-72.6-18.7000112.2L450 A451 I452D448-L450 PolarHBondContact O-N 2.63Å; D448-A451 PolarHBondContact O-N 3.26Å; D448-I452 WeakPolarHBondContact O-CD1 3.28Å; D448-I452 VanDerWaalsContact O-CG1 3.26Å; D448-I452 WeakPolarHBondContact O-CG1 3.31Å; D448-I452 PolarHBondContact O-N 3.21Å
449S77.8Confident72Confident83 Ų8364 Ų6458%0.5834%0.338SS*.Hα-helixtrans-65.4-34.8179.658.70000113.4I447 A453I447-S449 WeakPolarHBondContact CG2-OG 3.45Å; I447-S449 PolarHBondContact O-N 2.97Å; S449-A453 WeakPolarHBondContact O-CB 3.25Å; S449-A453 PolarHBondContact O-N 3.04Å
450L78.2Confident72.4Confident65 Ų6563.9 Ų63.934%0.3434%0.335SS..Hα-helixtrans-70.5-40.9176.2-177.367.1000110.5Y443 I447 D448 I452 A453 L454Y443-L450 HydrophobicContact CD1-CD2 4.03Å; Y443-L450 HydrophobicContact CE1-CD2 4.12Å; Y443-L450 HydrophobicContact CG-CD2 4.33Å; I447-L450 HydrophobicContact CB-CB 3.97Å; I447-L450 HydrophobicContact CG2-CB 3.77Å; I447-L450 PolarHBondContact O-N 3.48Å; I447-L450 VanDerWaalsContact O-N 3.15Å; D448-L450 PolarHBondContact O-N 2.63Å; L450-I452 VanDerWaalsContact C-N 3.35Å; L450-A453 PolarHBondContact O-N 3.25Å; L450-L454 HydrophobicContact CD1-CD1 4.41Å; L450-L454 HydrophobicContact CD1-CG 4.47Å; L450-L454 HydrophobicContact CG-CD1 4Å; L450-L454 HydrophobicContact CG-CG 4.48Å; L450-L454 WeakPolarHBondContact O-CB 3.42Å; L450-L454 VanDerWaalsContact O-CG 3.28Å; L450-L454 WeakPolarHBondContact O-CG 3.35Å; L450-L454 PolarHBondContact O-N 3.22Å
451A74.7Confident73Confident20 Ų2063.3 Ų63.317%0.16533%0.334CS..Hα-helixtrans-63.5-40.8176.300000111.9K440 I447 D448 S455K440-A451 HydrophobicContact CD-CB 4.32Å; K440-A451 HydrophobicContact CG-CB 4.44Å; I447-A451 PolarHBondContact O-N 2.8Å; D448-A451 PolarHBondContact O-N 3.26Å; A451-S455 WeakPolarHBondContact O-CB 3.49Å; A451-S455 PolarHBondContact O-N 3.41Å
452I79.1Confident73.5Confident26 Ų2662.2 Ų62.213%0.13333%0.326CS..Hα-helixtrans-62.9-50.2173.3-65.8160.5000110L391 N398 D448 L450 L454 S455 M456L391-I452 HydrophobicContact CB-CG1 4.05Å; N398-I452 VanDerWaalsContact OD1-CD1 3.3Å; N398-I452 WeakPolarHBondContact OD1-CD1 3.31Å; D448-I452 WeakPolarHBondContact O-CD1 3.28Å; D448-I452 VanDerWaalsContact O-CG1 3.26Å; D448-I452 WeakPolarHBondContact O-CG1 3.31Å; D448-I452 PolarHBondContact O-N 3.21Å; L450-I452 VanDerWaalsContact C-N 3.35Å; I452-L454 PolarHBondContact O-N 3.31Å; I452-S455 PolarHBondContact O-N 3.38Å; I452-M456 HydrophobicContact CG2-CE 4.33Å; I452-M456 HydrophobicContact CG2-CG 4.26Å; I452-M456 VanDerWaalsContact O-CG 3.29Å; I452-M456 WeakPolarHBondContact O-CG 2.98Å; I452-M456 PolarHBondContact O-N 2.99Å
453A81.6Confident73.9Confident47 Ų4758.8 Ų58.839%0.38830%0.298SS..Hα-helixtrans-58-47.8-18000000112.4S449 L450 S455 M456 I457S449-A453 WeakPolarHBondContact O-CB 3.25Å; S449-A453 PolarHBondContact O-N 3.04Å; L450-A453 PolarHBondContact O-N 3.25Å; A453-S455 VanDerWaalsContact C-N 3.34Å; A453-S455 PolarHBondContact O-N 2.96Å; A453-M456 PolarHBondContact O-N 2.89Å; A453-I457 VanDerWaalsContact O-CG1 3.28Å; A453-I457 WeakPolarHBondContact O-CG1 3.44Å; A453-I457 PolarHBondContact O-N 3.36Å
454L80.2Confident74.5Confident17 Ų1753.9 Ų53.99%0.08928%0.279CS..Hα-helixtrans-60.8-42.1176.9-72.9167.3000112F436 I439 K440 L450 I452 M456 I457 G458F436-L454 HydrophobicContact CB-CD2 4.29Å; F436-L454 HydrophobicContact CD1-CD2 3.62Å; F436-L454 HydrophobicContact CE1-CD2 4.48Å; F436-L454 HydrophobicContact CG-CD2 4.42Å; I439-L454 HydrophobicContact CB-CD1 4.36Å; I439-L454 HydrophobicContact CG2-CD1 3.67Å; I439-L454 HydrophobicContact CG2-CD2 4.27Å; K440-L454 HydrophobicContact CB-CD1 4.31Å; L450-L454 HydrophobicContact CD1-CD1 4.41Å; L450-L454 HydrophobicContact CD1-CG 4.47Å; L450-L454 HydrophobicContact CG-CD1 4Å; L450-L454 HydrophobicContact CG-CG 4.48Å; L450-L454 WeakPolarHBondContact O-CB 3.42Å; L450-L454 VanDerWaalsContact O-CG 3.28Å; L450-L454 WeakPolarHBondContact O-CG 3.35Å; L450-L454 PolarHBondContact O-N 3.22Å; I452-L454 PolarHBondContact O-N 3.31Å; L454-M456 VanDerWaalsContact C-N 3.35Å; L454-I457 PolarHBondContact O-N 3.45Å; L454-G458 PolarHBondContact O-N 3.38Å
455S78.3Confident75.5Confident5 Ų546.6 Ų46.64%0.03525%0.252CS..Hα-helixtrans-66.9-36.3177.3-167.20000112.3A451 I452 A453 G458 K459 Q516A451-S455 WeakPolarHBondContact O-CB 3.49Å; A451-S455 PolarHBondContact O-N 3.41Å; I452-S455 PolarHBondContact O-N 3.38Å; A453-S455 VanDerWaalsContact C-N 3.34Å; A453-S455 PolarHBondContact O-N 2.96Å; S455-G458 PolarHBondContact O-N 2.7Å; S455-K459 WeakPolarHBondContact O-CB 3.41Å; S455-K459 PolarHBondContact O-N 3.06Å; S455-Q516 PolarHBondContact OG-NE2 2.89Å
456M83.1Confident76.7Confident23 Ų2339.8 Ų39.811%0.11322%0.22CC..Hα-helixtrans-70.2-38.6176.5-67.2-56148.300111.8L391 A402 I452 A453 L454 K459 F460L391-M456 HydrophobicContact CD1-CE 3.98Å; A402-M456 HydrophobicContact CB-CE 3.93Å; A402-M456 HydrophobicContact CB-SD 4.06Å; I452-M456 HydrophobicContact CG2-CE 4.33Å; I452-M456 HydrophobicContact CG2-CG 4.26Å; I452-M456 VanDerWaalsContact O-CG 3.29Å; I452-M456 WeakPolarHBondContact O-CG 2.98Å; I452-M456 PolarHBondContact O-N 2.99Å; A453-M456 PolarHBondContact O-N 2.89Å; L454-M456 VanDerWaalsContact C-N 3.35Å; M456-K459 PolarHBondContact O-N 3.49Å; M456-F460 WeakPolarHBondContact O-CB 2.9Å; M456-F460 PolarHBondContact O-N 2.81Å
457I83.1Confident77.5Confident78 Ų7832.4 Ų32.440%0.419%0.19SC..Hα-helixtrans-63.1-44.7173.4-66.3163.8000110.6F436 A453 L454 K459 F460 A461F436-I457 HydrophobicContact CD1-CG2 4.21Å; F436-I457 HydrophobicContact CD2-CG2 3.76Å; F436-I457 HydrophobicContact CE1-CG2 3.97Å; F436-I457 HydrophobicContact CE2-CG2 3.5Å; F436-I457 VanDerWaalsContact CE2-CG2 3.5Å; F436-I457 HydrophobicContact CG-CG2 4.12Å; F436-I457 HydrophobicContact CZ-CG2 3.61Å; A453-I457 VanDerWaalsContact O-CG1 3.28Å; A453-I457 WeakPolarHBondContact O-CG1 3.44Å; A453-I457 PolarHBondContact O-N 3.36Å; L454-I457 PolarHBondContact O-N 3.45Å; I457-K459 PolarHBondContact O-N 2.94Å; I457-F460 WeakPolarHBondContact O-CB 2.93Å; I457-F460 PolarHBondContact O-N 2.86Å; I457-A461 WeakPolarHBondContact O-CB 3Å; I457-A461 PolarHBondContact O-N 3.06Å
458G77.9Confident78.1Confident1 Ų129.1 Ų29.11%0.0117%0.173CC..Hα-helixtrans-60.3-43.9174.900000112.6L454 S455 A461 V462L454-G458 PolarHBondContact O-N 3.38Å; S455-G458 PolarHBondContact O-N 2.7Å; G458-A461 WeakPolarHBondContact O-CB 3.23Å; G458-A461 PolarHBondContact O-N 3.31Å; G458-V462 WeakPolarHBondContact O-CG2 3.44Å; G458-V462 PolarHBondContact O-N 3.05Å
459K81.2Confident78.4Confident5 Ų524.7 Ų24.72%0.02215%0.149CC..Hα-helixtrans-60.8-46174.7-175.7178.2-179.5-178.10111.8F384 S385 A402 S455 M456 I457 A461 V462 A463F384-K459 HydrophobicContact CB-CB 4Å; F384-K459 HydrophobicContact CB-CD 4.39Å; F384-K459 HydrophobicContact CB-CG 4.06Å; F384-K459 HydrophobicContact CG-CB 4.2Å; S385-K459 VanDerWaalsContact OG-CE 3.27Å; S385-K459 WeakPolarHBondContact OG-CE 3.38Å; S385-K459 PolarHBondContact OG-NZ 3.35Å; A402-K459 HydrophobicContact CB-CD 4.42Å; A402-K459 PolarHBondContact O-NZ 2.95Å; S455-K459 WeakPolarHBondContact O-CB 3.41Å; S455-K459 PolarHBondContact O-N 3.06Å; M456-K459 PolarHBondContact O-N 3.49Å; I457-K459 PolarHBondContact O-N 2.94Å; K459-A461 VanDerWaalsContact C-N 3.34Å; K459-A461 PolarHBondContact O-N 3.47Å; K459-V462 PolarHBondContact O-N 2.92Å; K459-A463 VanDerWaalsContact O-CB 3.25Å; K459-A463 WeakPolarHBondContact O-CB 2.91Å; K459-A463 PolarHBondContact O-N 3.36Å
460F82.4Confident78.1Confident57 Ų5724.3 Ų24.325%0.2514%0.136CC..Hα-helixtrans-58.5-47.6177.9-175.6-95.2000110.9N409 N412 M456 I457 V462 A463 I464N409-F460 VanDerWaalsContact CA-CE2 3.48Å; N409-F460 HydrophobicContact CB-CD2 3.77Å; N409-F460 HydrophobicContact CB-CE2 3.79Å; N409-F460 WeakPolarHBondContact OD1-CD2 3Å; N409-F460 WeakPolarHBondContact OD1-CE2 3.41Å; N409-F460 PolarHBondContact OD1-O 3.34Å; N412-F460 HydrophobicContact CB-CZ 4.03Å; M456-F460 WeakPolarHBondContact O-CB 2.9Å; M456-F460 PolarHBondContact O-N 2.81Å; I457-F460 WeakPolarHBondContact O-CB 2.93Å; I457-F460 PolarHBondContact O-N 2.86Å; F460-V462 PolarHBondContact O-N 2.97Å; F460-A463 PolarHBondContact O-N 2.94Å; F460-I464 HydrophobicContact CD1-CD1 3.89Å; F460-I464 HydrophobicContact CD1-CG1 4.42Å; F460-I464 HydrophobicContact CE1-CD1 3.35Å; F460-I464 HydrophobicContact CE1-CG1 4.2Å; F460-I464 HydrophobicContact CZ-CD1 3.86Å; F460-I464 WeakPolarHBondContact O-CG1 3.49Å; F460-I464 PolarHBondContact O-N 2.87Å
461A79.4Confident77.7Confident9 Ų923.5 Ų23.57%0.07413%0.131CC..Hα-helixtrans-55.6-54.8176.100000111.9V429 I457 G458 K459 A463 I464 A465V429-A461 VanDerWaalsContact CG1-CA 3.42Å; V429-A461 HydrophobicContact CG1-CB 3.57Å; V429-A461 WeakPolarHBondContact CG1-O 3.44Å; I457-A461 WeakPolarHBondContact O-CB 3Å; I457-A461 PolarHBondContact O-N 3.06Å; G458-A461 WeakPolarHBondContact O-CB 3.23Å; G458-A461 PolarHBondContact O-N 3.31Å; K459-A461 VanDerWaalsContact C-N 3.34Å; K459-A461 PolarHBondContact O-N 3.47Å; A461-A463 VanDerWaalsContact C-N 3.26Å; A461-A463 PolarHBondContact O-N 3.49Å; A461-I464 PolarHBondContact O-N 3.49Å; A461-A465 PolarHBondContact O-N 3.49Å
462V78.3Confident77.6Confident4 Ų423 Ų232%0.02413%0.125CC..Hα-helixtrans-60.3-38.1179.1174.70000111.6F384 G458 K459 F460 A465 F466F384-V462 HydrophobicContact CD2-CG2 4.34Å; F384-V462 HydrophobicContact CE2-CG2 3.98Å; G458-V462 WeakPolarHBondContact O-CG2 3.44Å; G458-V462 PolarHBondContact O-N 3.05Å; K459-V462 PolarHBondContact O-N 2.92Å; F460-V462 PolarHBondContact O-N 2.97Å; V462-A465 PolarHBondContact O-N 2.81Å; V462-F466 VanDerWaalsContact O-CB 3.29Å; V462-F466 WeakPolarHBondContact O-CB 3.24Å; V462-F466 PolarHBondContact O-N 3.3Å
463A77.9Confident77.4Confident12 Ų1221.7 Ų21.710%0.09912%0.119CC..Hα-helixtrans-67-41-179.700000113.2N409 K459 F460 A461 A465 G467N409-A463 VanDerWaalsContact ND2-CB 3.3Å; N409-A463 WeakPolarHBondContact ND2-CB 3.1Å; K459-A463 VanDerWaalsContact O-CB 3.25Å; K459-A463 WeakPolarHBondContact O-CB 2.91Å; K459-A463 PolarHBondContact O-N 3.36Å; F460-A463 PolarHBondContact O-N 2.94Å; A461-A463 VanDerWaalsContact C-N 3.26Å; A461-A463 PolarHBondContact O-N 3.49Å; A463-A465 VanDerWaalsContact C-N 3.32Å; A463-G467 PolarHBondContact O-N 3.39Å
464I77.3Confident76.8Confident14 Ų1420.2 Ų20.27%0.07211%0.105CC..Hα-helixtrans-58.1-49.8171.9-65.9-174.8000109.9N409 I425 F460 A461 F466 G467 L468N409-I464 PolarHBondContact ND2-N 2.75Å; N409-I464 WeakPolarHBondContact OD1-CG1 3.43Å; I425-I464 HydrophobicContact CG2-CG2 3.73Å; F460-I464 HydrophobicContact CD1-CD1 3.89Å; F460-I464 HydrophobicContact CD1-CG1 4.42Å; F460-I464 HydrophobicContact CE1-CD1 3.35Å; F460-I464 HydrophobicContact CE1-CG1 4.2Å; F460-I464 HydrophobicContact CZ-CD1 3.86Å; F460-I464 WeakPolarHBondContact O-CG1 3.49Å; F460-I464 PolarHBondContact O-N 2.87Å; A461-I464 PolarHBondContact O-N 3.49Å; I464-F466 VanDerWaalsContact C-N 3.31Å; I464-F466 PolarHBondContact O-N 2.94Å; I464-G467 PolarHBondContact O-N 1.99Å; I464-G467 VanDerWaalsContact O-N 3.1Å; I464-L468 HydrophobicContact CG2-CD1 4.04Å; I464-L468 HydrophobicContact CG2-CG 4.48Å; I464-L468 PolarHBondContact O-N 3.38Å
465A76.8Confident76.4Confident1 Ų121.2 Ų21.21%0.00811%0.109CC..Hα-helixtrans-67.1-35.9-173.400000111.9V429 Y430 A461 V462 A463 L468 I469V429-A465 HydrophobicContact CG1-CB 4.14Å; Y430-A465 HydrophobicContact CD1-CB 4.26Å; Y430-A465 HydrophobicContact CD2-CB 3.99Å; Y430-A465 HydrophobicContact CE1-CB 3.69Å; Y430-A465 HydrophobicContact CE2-CB 3.41Å; Y430-A465 VanDerWaalsContact CE2-CB 3.41Å; Y430-A465 HydrophobicContact CG-CB 4.37Å; Y430-A465 WeakPolarHBondContact OH-CB 3.01Å; A461-A465 PolarHBondContact O-N 3.49Å; V462-A465 PolarHBondContact O-N 2.81Å; A463-A465 VanDerWaalsContact C-N 3.32Å; A465-L468 PolarHBondContact O-N 2.03Å; A465-I469 PolarHBondContact O-N 3.11Å
466F76.2Confident76.2Confident28 Ų2821 Ų2112%0.12311%0.108CC..Hα-helixtrans-68.9-30.1171.9-174.7-109.8000113.3W374 V462 I464 I469 Y470 C494W374-F466 AromaticContact CE3-CE2 3.97Å; W374-F466 HydrophobicContact CE3-CE2 3.97Å; W374-F466 HydrophobicContact CZ3-CE2 4.24Å; W374-F466 HydrophobicContact CZ3-CZ 4.43Å; V462-F466 VanDerWaalsContact O-CB 3.29Å; V462-F466 WeakPolarHBondContact O-CB 3.24Å; V462-F466 PolarHBondContact O-N 3.3Å; I464-F466 VanDerWaalsContact C-N 3.31Å; I464-F466 PolarHBondContact O-N 2.94Å; F466-I469 HydrophobicContact CD2-CG2 4.34Å; F466-I469 VanDerWaalsContact O-CG2 3.24Å; F466-I469 WeakPolarHBondContact O-CG2 3.31Å; F466-Y470 AromaticContact CE1-CE2 3.97Å; F466-Y470 HydrophobicContact CE1-CE2 3.97Å; F466-Y470 HydrophobicContact CE2-CE2 4.36Å; F466-Y470 AromaticContact CZ-CE2 3.86Å; F466-Y470 HydrophobicContact CZ-CE2 3.86Å; F466-Y470 WeakPolarHBondContact O-CD2 3.3Å; F466-C494 WeakPolarHBondContact CZ-SG 3.33Å
467G72.4Confident75.8Confident16 Ų1620 Ų2017%0.16510%0.103CC..Hα-helixtrans-68.5-38.1170.200000112.4Y413 A463 I464Y413-G467 PolarHBondContact OH-O 3.22Å; A463-G467 PolarHBondContact O-N 3.39Å; I464-G467 PolarHBondContact O-N 1.99Å; I464-G467 VanDerWaalsContact O-N 3.1Å
468L72Confident75.3Confident2 Ų216.4 Ų16.41%0.018%0.084CC..Hα-helixtrans-73-30.4-173.4-74.6174.9000112.2Y413 I417 I425 C426 I464 A465 Y470 L471 Y472Y413-L468 HydrophobicContact CD2-CD2 4.19Å; Y413-L468 HydrophobicContact CD2-CG 4.19Å; Y413-L468 HydrophobicContact CE2-CB 4.25Å; Y413-L468 HydrophobicContact CE2-CD2 3.44Å; Y413-L468 VanDerWaalsContact CE2-CD2 3.44Å; Y413-L468 HydrophobicContact CE2-CG 3.57Å; I417-L468 HydrophobicContact CD1-CD2 4.06Å; I417-L468 HydrophobicContact CG1-CD2 4.1Å; I425-L468 HydrophobicContact CB-CD1 3.79Å; I425-L468 HydrophobicContact CD1-CD1 4.39Å; I425-L468 HydrophobicContact CG2-CD1 3.59Å; C426-L468 VanDerWaalsContact SG-CB 3.6Å; C426-L468 WeakPolarHBondContact SG-CD1 3.03Å; I464-L468 HydrophobicContact CG2-CD1 4.04Å; I464-L468 HydrophobicContact CG2-CG 4.48Å; I464-L468 PolarHBondContact O-N 3.38Å; A465-L468 PolarHBondContact O-N 2.03Å; L468-Y470 VanDerWaalsContact C-N 3.33Å; L468-Y470 PolarHBondContact O-N 3.45Å; L468-L471 PolarHBondContact O-N 3.33Å; L468-Y472 WeakPolarHBondContact O-CB 3.27Å; L468-Y472 PolarHBondContact O-N 2.63Å
469I77.7Confident74.8Confident6 Ų619.6 Ų19.63%0.03110%0.104CC..Hα-helixtrans-64.1-33.7-176.7-170.260.2000113.4V370 I373 W374 A465 F466 L471 Y472 T473V370-I469 HydrophobicContact CG1-CD1 4.36Å; I373-I469 HydrophobicContact CB-CD1 4.02Å; I373-I469 HydrophobicContact CB-CG1 4.24Å; I373-I469 HydrophobicContact CD1-CD1 4.03Å; I373-I469 HydrophobicContact CG2-CB 4.01Å; I373-I469 HydrophobicContact CG2-CD1 3.69Å; I373-I469 HydrophobicContact CG2-CG1 3.69Å; W374-I469 HydrophobicContact CD2-CG1 4.12Å; W374-I469 HydrophobicContact CD2-CG2 4.03Å; W374-I469 HydrophobicContact CE3-CG2 4.1Å; W374-I469 HydrophobicContact CG-CG1 4.18Å; W374-I469 HydrophobicContact CH2-CG2 4.48Å; W374-I469 HydrophobicContact CZ2-CG1 4.44Å; W374-I469 HydrophobicContact CZ2-CG2 4.3Å; W374-I469 HydrophobicContact CZ3-CG2 4.37Å; A465-I469 PolarHBondContact O-N 3.11Å; F466-I469 HydrophobicContact CD2-CG2 4.34Å; F466-I469 VanDerWaalsContact O-CG2 3.24Å; F466-I469 WeakPolarHBondContact O-CG2 3.31Å; I469-L471 VanDerWaalsContact C-N 3.29Å; I469-L471 PolarHBondContact O-N 3.11Å; I469-Y472 HydrophobicContact CD1-CD1 4.26Å; I469-Y472 PolarHBondContact O-N 3.03Å; I469-T473 VanDerWaalsContact O-CB 3.31Å; I469-T473 WeakPolarHBondContact O-CB 3.32Å; I469-T473 PolarHBondContact O-N 3.15Å; I469-T473 PolarHBondContact O-OG1 3.29Å
470Y72.2Confident74Confident75 Ų7524.1 Ų24.129%0.29413%0.132SC..Hα-helixtrans-56.8-47.3175.6-80.8-100000110.9W374 F466 L468 C474W374-Y470 HydrophobicContact CE3-CE2 4.34Å; W374-Y470 AromaticContact CH2-CD1 3.36Å; W374-Y470 HydrophobicContact CH2-CD1 3.36Å; W374-Y470 AromaticContact CH2-CD2 3.48Å; W374-Y470 HydrophobicContact CH2-CD2 3.48Å; W374-Y470 VanDerWaalsContact CH2-CD2 3.48Å; W374-Y470 AromaticContact CH2-CE1 3.32Å; W374-Y470 HydrophobicContact CH2-CE1 3.32Å; W374-Y470 AromaticContact CH2-CE2 3.45Å; W374-Y470 HydrophobicContact CH2-CE2 3.45Å; W374-Y470 VanDerWaalsContact CH2-CE2 3.45Å; W374-Y470 AromaticContact CH2-CG 3.42Å; W374-Y470 HydrophobicContact CH2-CG 3.42Å; W374-Y470 VanDerWaalsContact CH2-CG 3.42Å; W374-Y470 AromaticContact CH2-CZ 3.35Å; W374-Y470 HydrophobicContact CZ2-CD1 4.25Å; W374-Y470 HydrophobicContact CZ2-CD2 4.34Å; W374-Y470 HydrophobicContact CZ2-CG 4.13Å; W374-Y470 HydrophobicContact CZ3-CD1 4.15Å; W374-Y470 AromaticContact CZ3-CD2 3.74Å; W374-Y470 HydrophobicContact CZ3-CD2 3.74Å; W374-Y470 AromaticContact CZ3-CE1 3.71Å; W374-Y470 HydrophobicContact CZ3-CE1 3.71Å; W374-Y470 AromaticContact CZ3-CE2 3.25Å; W374-Y470 HydrophobicContact CZ3-CE2 3.25Å; W374-Y470 HydrophobicContact CZ3-CG 4.15Å; W374-Y470 AromaticContact CZ3-CZ 3.21Å; W374-Y470 WeakPolarHBondContact CZ3-OH 3.31Å; F466-Y470 AromaticContact CE1-CE2 3.97Å; F466-Y470 HydrophobicContact CE1-CE2 3.97Å; F466-Y470 HydrophobicContact CE2-CE2 4.36Å; F466-Y470 AromaticContact CZ-CE2 3.86Å; F466-Y470 HydrophobicContact CZ-CE2 3.86Å; F466-Y470 WeakPolarHBondContact O-CD2 3.3Å; L468-Y470 VanDerWaalsContact C-N 3.33Å; L468-Y470 PolarHBondContact O-N 3.45Å; Y470-C474 PolarHBondContact O-N 3.25Å; Y470-C474 PolarHBondContact O-SG 3.48Å
471L70.2Confident73.5Confident48 Ų4822 Ų2225%0.25112%0.123SC..Hα-helixtrans-78.1-36.8-177.2-163.461.7000111.7I417 R422 L468 I469 C474 E475I417-L471 HydrophobicContact CD1-CD2 3.23Å; I417-L471 HydrophobicContact CG1-CD2 4.07Å; R422-L471 VanDerWaalsContact CZ-CD2 3.45Å; R422-L471 VanDerWaalsContact NH1-CD2 3.27Å; R422-L471 VanDerWaalsContact NH2-CG 3.31Å; L468-L471 PolarHBondContact O-N 3.33Å; I469-L471 VanDerWaalsContact C-N 3.29Å; I469-L471 PolarHBondContact O-N 3.11Å; L471-C474 WeakPolarHBondContact O-CB 3.18Å; L471-C474 PolarHBondContact O-N 3.28Å; L471-C474 VanDerWaalsContact O-N 3.15Å; L471-E475 PolarHBondContact O-N 2.66Å
472Y72Confident73.1Confident8 Ų822.8 Ų22.83%0.03112%0.124CC..Hα-helixtrans-64.3-39.6176.1-169.3-103.1000112.3L423 L468 I469 C474 E475 L476 L533 P534 T536L423-Y472 HydrophobicContact CD2-CE2 4.36Å; L468-Y472 WeakPolarHBondContact O-CB 3.27Å; L468-Y472 PolarHBondContact O-N 2.63Å; I469-Y472 HydrophobicContact CD1-CD1 4.26Å; I469-Y472 PolarHBondContact O-N 3.03Å; Y472-C474 PolarHBondContact O-N 3.38Å; Y472-E475 PolarHBondContact O-N 3.5Å; Y472-E475 VanDerWaalsContact O-N 3.14Å; Y472-L476 HydrophobicContact CE1-CD2 4.45Å; Y472-L476 PolarHBondContact O-N 3.39Å; Y472-L533 HydrophobicContact CE1-CB 4.23Å; Y472-L533 HydrophobicContact CE1-CD2 3.62Å; Y472-L533 WeakPolarHBondContact OH-CB 3.41Å; Y472-P534 PolarHBondContact OH-O 3.2Å; Y472-T536 HydrophobicContact CD2-CG2 4.23Å; Y472-T536 HydrophobicContact CE2-CG2 3.64Å
473T75.4Confident72.5Confident0 Ų029.7 Ų29.70%015%0.15CC..Hα-helixtrans-61.4-35172.8-540000111.1V370 W374 I469 E475 Y477 A486 V487V370-T473 HydrophobicContact CG1-CG2 4.16Å; W374-T473 PolarHBondContact NE1-OG1 3.27Å; W374-T473 VanDerWaalsContact NE1-OG1 3.1Å; I469-T473 VanDerWaalsContact O-CB 3.31Å; I469-T473 WeakPolarHBondContact O-CB 3.32Å; I469-T473 PolarHBondContact O-N 3.15Å; I469-T473 PolarHBondContact O-OG1 3.29Å; T473-E475 VanDerWaalsContact C-N 3.31Å; T473-E475 PolarHBondContact O-N 3.22Å; T473-Y477 HydrophobicContact CG2-CD2 4.08Å; T473-Y477 HydrophobicContact CG2-CE2 4.16Å; T473-Y477 WeakPolarHBondContact O-CD2 3.41Å; T473-A486 HydrophobicContact CG2-CB 3.92Å; T473-V487 HydrophobicContact CG2-CG2 3.8Å
474C68.7Low72Confident15 Ų1535.3 Ų35.310%0.10118%0.183CC..Hα-helixtrans-68.5-30.2176.8-67.50000113.1Y470 L471 Y472 R482Y470-C474 PolarHBondContact O-N 3.25Å; Y470-C474 PolarHBondContact O-SG 3.48Å; L471-C474 WeakPolarHBondContact O-CB 3.18Å; L471-C474 PolarHBondContact O-N 3.28Å; L471-C474 VanDerWaalsContact O-N 3.15Å; Y472-C474 PolarHBondContact O-N 3.38Å; C474-R482 HydrophobicContact CB-CG 4.23Å; C474-R482 WeakPolarHBondContact O-CD 3.47Å; C474-R482 WeakPolarHBondContact O-CG 3.43Å; C474-R482 PolarHBondContact O-NE 3.12Å
475E72.5Confident71.8Confident38 Ų3835.4 Ų35.418%0.17818%0.183CC..Hα-helixtrans-87-29.5-177.4-69176167.600113R422 L471 Y472 T473 T536 L541 P542R422-E475 VanDerWaalsContact CD-OE2 3.23Å; R422-E475 WeakPolarHBondContact CD-OE2 3.39Å; R422-E475 IonicContact CZ-OE1 2.63Å; R422-E475 IonicContact CZ-OE2 3.37Å; R422-E475 IonicContact NE-OE1 3.76Å; R422-E475 PolarHBondContact NE-OE1 3.41Å; R422-E475 IonicContact NE-OE2 2.63Å; R422-E475 PolarHBondContact NE-OE2 3.49Å; R422-E475 VanDerWaalsContact NE-OE2 3.12Å; R422-E475 IonicContact NH1-OE1 2.75Å; R422-E475 IonicContact NH1-OE2 2.66Å; R422-E475 PolarHBondContact NH1-OE2 2.83Å; R422-E475 IonicContact NH2-OE1 3.55Å; R422-E475 PolarHBondContact NH2-OE1 2.86Å; R422-E475 IonicContact NH2-OE2 3.56Å; L471-E475 PolarHBondContact O-N 2.66Å; Y472-E475 PolarHBondContact O-N 3.5Å; Y472-E475 VanDerWaalsContact O-N 3.14Å; T473-E475 VanDerWaalsContact C-N 3.31Å; T473-E475 PolarHBondContact O-N 3.22Å; E475-T536 HydrophobicContact CB-CG2 3.94Å; E475-T536 VanDerWaalsContact OE2-CB 3.29Å; E475-T536 WeakPolarHBondContact OE2-CB 2.97Å; E475-T536 PolarHBondContact OE2-OG1 2.94Å; E475-L541 HydrophobicContact CG-CD2 4.23Å; E475-P542 WeakPolarHBondContact O-CD 3.16Å
476L73.6Confident71.7Confident1 Ų135.4 Ų35.41%0.00518%0.183CC..Hα-helixtrans-74.4-29-178.3-167.569.1000113.1R366 V370 Y472 L533 P534R366-L476 HydrophobicContact CB-CD2 4.26Å; V370-L476 HydrophobicContact CG2-CD2 3.75Å; Y472-L476 HydrophobicContact CE1-CD2 4.45Å; Y472-L476 PolarHBondContact O-N 3.39Å; L476-L533 HydrophobicContact CD2-CD2 3.85Å; L476-P534 HydrophobicContact CD1-CG 3.79Å
477Y74.9Confident71.7Confident1 Ų135 Ų350%0.00418%0.183CC..SBendtrans-107.2142.9-173-70.7-90.6000112.9L357 M363 T367 V370 T473 I481 R482 A486L357-Y477 HydrophobicContact CD2-CE1 3.88Å; M363-Y477 HydrophobicContact CE-CD1 3.84Å; M363-Y477 HydrophobicContact CE-CE1 3.83Å; T367-Y477 WeakPolarHBondContact CA-OH 3.27Å; T367-Y477 VanDerWaalsContact CB-OH 3.29Å; T367-Y477 WeakPolarHBondContact CB-OH 3.45Å; T367-Y477 PolarHBondContact N-OH 3.06Å; T367-Y477 PolarHBondContact OG1-OH 3.04Å; V370-Y477 HydrophobicContact CG2-CE2 4.43Å; T473-Y477 HydrophobicContact CG2-CD2 4.08Å; T473-Y477 HydrophobicContact CG2-CE2 4.16Å; T473-Y477 WeakPolarHBondContact O-CD2 3.41Å; Y477-I481 HydrophobicContact CD1-CD1 3.94Å; Y477-I481 HydrophobicContact CD1-CG1 4.08Å; Y477-R482 PolarHBondContact O-NE 3.05Å; Y477-R482 VanDerWaalsContact O-NE 3.15Å; Y477-A486 HydrophobicContact CD1-CB 3.76Å; Y477-A486 HydrophobicContact CD2-CB 3.43Å; Y477-A486 VanDerWaalsContact CD2-CB 3.43Å; Y477-A486 HydrophobicContact CE1-CB 4.08Å; Y477-A486 HydrophobicContact CE2-CB 3.78Å; Y477-A486 HydrophobicContact CG-CB 3.4Å; Y477-A486 VanDerWaalsContact CG-CB 3.4Å
478P71.6Confident71.9Confident3 Ų335.5 Ų35.52%0.01919%0.189CC..  trans-69153.1-178.327-30.3000111.7V480 I481 R482 P542 T544 L545 A548P478-V480 PolarHBondContact O-N 3.06Å; P478-I481 HydrophobicContact CG-CD1 3.74Å; P478-I481 HydrophobicContact CG-CG1 3.73Å; P478-I481 PolarHBondContact O-N 3.01Å; P478-R482 WeakPolarHBondContact O-CB 3.4Å; P478-R482 PolarHBondContact O-N 3.37Å; P478-P542 WeakPolarHBondContact CA-O 3.34Å; P478-P542 HydrophobicContact CB-CB 4.39Å; P478-T544 WeakPolarHBondContact CB-O 3.44Å; P478-L545 HydrophobicContact CG-CD1 4.36Å; P478-A548 HydrophobicContact CB-CB 4.41Å; P478-A548 HydrophobicContact CG-CB 4.07Å
479T67.7Low72.4Confident68 Ų6835.5 Ų35.542%0.41719%0.189SC..THydrogen-bonded Turntrans-44.9-38.5-174.953.20000114I481 R482 P542T479-I481 PolarHBondContact O-N 3.3Å; T479-R482 VanDerWaalsContact N-NH2 3.18Å; T479-P542 PolarHBondContact N-O 3.36Å
480V65.4Low72.7Confident101 Ų10135.2 Ų35.261%0.61219%0.188SC*.THydrogen-bonded Turntrans-68.2-31-176-163.90000113.3L352 P478L352-V480 HydrophobicContact CD1-CG1 4.48Å; L352-V480 HydrophobicContact CD2-CG1 4.04Å; P478-V480 PolarHBondContact O-N 3.06Å
481I71.3Confident73.2Confident12 Ų1233.3 Ų33.36%0.06219%0.185CC..THydrogen-bonded Turntrans-117.41.7-17769.8-171.7000113.7L352 Y477 P478 T479 L485 A486 L545L352-I481 HydrophobicContact CD2-CG2 3.31Å; Y477-I481 HydrophobicContact CD1-CD1 3.94Å; Y477-I481 HydrophobicContact CD1-CG1 4.08Å; P478-I481 HydrophobicContact CG-CD1 3.74Å; P478-I481 HydrophobicContact CG-CG1 3.73Å; P478-I481 PolarHBondContact O-N 3.01Å; T479-I481 PolarHBondContact O-N 3.3Å; I481-L485 HydrophobicContact CB-CB 4.14Å; I481-L485 HydrophobicContact CB-CD1 3.96Å; I481-L485 HydrophobicContact CG2-CD1 3.83Å; I481-L485 WeakPolarHBondContact O-CB 3.24Å; I481-A486 PolarHBondContact O-N 2.98Å; I481-L545 HydrophobicContact CD1-CD1 4.07Å
482R71.6Confident73.9Confident25 Ų2533.9 Ų33.99%0.09419%0.187CC..Iπ-helixtrans-65.3-58.5-170.1-173.1-173.2-59.4145.90.7113.8C474 Y477 P478 T479 A486 V487 P542C474-R482 HydrophobicContact CB-CG 4.23Å; C474-R482 WeakPolarHBondContact O-CD 3.47Å; C474-R482 WeakPolarHBondContact O-CG 3.43Å; C474-R482 PolarHBondContact O-NE 3.12Å; Y477-R482 PolarHBondContact O-NE 3.05Å; Y477-R482 VanDerWaalsContact O-NE 3.15Å; P478-R482 WeakPolarHBondContact O-CB 3.4Å; P478-R482 PolarHBondContact O-N 3.37Å; T479-R482 VanDerWaalsContact N-NH2 3.18Å; R482-A486 WeakPolarHBondContact O-CB 3.27Å; R482-A486 PolarHBondContact O-N 2.98Å; R482-V487 WeakPolarHBondContact O-CG2 3.32Å; R482-V487 PolarHBondContact O-N 3Å; R482-P542 PolarHBondContact NH2-O 2.92Å
483W66Low74.7Confident149 Ų14936.1 Ų36.156%0.56420%0.199SC*.Iπ-helixtrans-80.3-60.9-167.3-72.1105.6000112.4L485 V487 G488W483-L485 PolarHBondContact O-N 3.48Å; W483-V487 WeakPolarHBondContact O-CB 3.4Å; W483-G488 PolarHBondContact O-N 3.12Å
484T66.6Low75.3Confident131 Ų13136.4 Ų36.480%0.80420%0.201SC*.Iπ-helixtrans-69.5-37.6-174.1-39.40000112
485L73.1Confident76.3Confident15 Ų1537 Ų378%0.07920%0.2CC..Iπ-helixtrans-96.7-57.2-167.6-85.8176.7000112.3L352 I354 L357 I481 W483 S489L352-L485 HydrophobicContact CB-CD1 3.77Å; L352-L485 HydrophobicContact CD2-CD1 4.17Å; I354-L485 HydrophobicContact CB-CD2 4.29Å; I354-L485 HydrophobicContact CG1-CD2 3.7Å; L357-L485 HydrophobicContact CD1-CB 3.76Å; L357-L485 HydrophobicContact CD1-CD1 4.42Å; L357-L485 HydrophobicContact CD1-CD2 3.97Å; L357-L485 HydrophobicContact CD1-CG 4.28Å; I481-L485 HydrophobicContact CB-CB 4.14Å; I481-L485 HydrophobicContact CB-CD1 3.96Å; I481-L485 HydrophobicContact CG2-CD1 3.83Å; I481-L485 WeakPolarHBondContact O-CB 3.24Å; W483-L485 PolarHBondContact O-N 3.48Å; L485-S489 WeakPolarHBondContact O-CB 3.33Å; L485-S489 PolarHBondContact O-N 3.47Å; L485-S489 VanDerWaalsContact O-N 3.1Å; L485-S489 PolarHBondContact O-OG 2.68Å
486A73.8Confident77.1Confident1 Ų137.7 Ų37.71%0.00821%0.207CC..Iπ-helixtrans-75.1-53.7-178.400000113.1L357 T473 Y477 I481 R482 S489 G490L357-A486 HydrophobicContact CD2-CB 4.48Å; T473-A486 HydrophobicContact CG2-CB 3.92Å; Y477-A486 HydrophobicContact CD1-CB 3.76Å; Y477-A486 HydrophobicContact CD2-CB 3.43Å; Y477-A486 VanDerWaalsContact CD2-CB 3.43Å; Y477-A486 HydrophobicContact CE1-CB 4.08Å; Y477-A486 HydrophobicContact CE2-CB 3.78Å; Y477-A486 HydrophobicContact CG-CB 3.4Å; Y477-A486 VanDerWaalsContact CG-CB 3.4Å; I481-A486 PolarHBondContact O-N 2.98Å; R482-A486 WeakPolarHBondContact O-CB 3.27Å; R482-A486 PolarHBondContact O-N 2.98Å; A486-S489 PolarHBondContact O-OG 3.3Å; A486-G490 PolarHBondContact O-N 3.25Å
487V76.8Confident77.9Confident20 Ų2037.7 Ų37.712%0.12121%0.207CC..Iπ-helixtrans-68.2-40.1179.2177.20000111.1T473 R482 W483 S491T473-V487 HydrophobicContact CG2-CG2 3.8Å; R482-V487 WeakPolarHBondContact O-CG2 3.32Å; R482-V487 PolarHBondContact O-N 3Å; W483-V487 WeakPolarHBondContact O-CB 3.4Å; V487-S491 VanDerWaalsContact O-CB 3.32Å; V487-S491 WeakPolarHBondContact O-CB 3.46Å; V487-S491 PolarHBondContact O-N 3.37Å
488G77.8Confident78.7Confident27 Ų2737.6 Ų37.628%0.27821%0.207SC..Hα-helixtrans-60-49.5175.500000113.4W483 S491 M492W483-G488 PolarHBondContact O-N 3.12Å; G488-S491 PolarHBondContact O-N 2.83Å; G488-M492 WeakPolarHBondContact O-CG 3.26Å; G488-M492 PolarHBondContact O-N 2.83Å
489S82.3Confident79.7Confident2 Ų239 Ų391%0.01421%0.214CC..Hα-helixtrans-67.2-39.217862.80000113.5W371 L485 A486 S491 M492 M493W371-S489 PolarHBondContact NE1-OG 3.33Å; L485-S489 WeakPolarHBondContact O-CB 3.33Å; L485-S489 PolarHBondContact O-N 3.47Å; L485-S489 VanDerWaalsContact O-N 3.1Å; L485-S489 PolarHBondContact O-OG 2.68Å; A486-S489 PolarHBondContact O-OG 3.3Å; S489-S491 VanDerWaalsContact C-N 3.34Å; S489-S491 PolarHBondContact O-N 3.4Å; S489-M492 WeakPolarHBondContact O-CB 3.2Å; S489-M492 PolarHBondContact O-N 3.26Å; S489-M493 PolarHBondContact O-N 3.23Å; S489-M493 VanDerWaalsContact O-N 3.11Å
490G83.5Confident80.9Confident0 Ų038.2 Ų38.20%021%0.209CC..Hα-helixtrans-60.1-43.1171.700000112.4W374 A486 M492 M493 C494W374-G490 WeakPolarHBondContact CB-O 3.38Å; A486-G490 PolarHBondContact O-N 3.25Å; G490-M492 VanDerWaalsContact C-N 3.33Å; G490-M492 PolarHBondContact O-N 2.94Å; G490-M493 PolarHBondContact O-N 3.44Å; G490-C494 PolarHBondContact O-N 2.88Å
491S82Confident82.1Confident34 Ų3433.4 Ų33.424%0.23818%0.18CC..Hα-helixtrans-62.2-38.7175.7-166.60000112.3V487 G488 S489 C494 R495V487-S491 VanDerWaalsContact O-CB 3.32Å; V487-S491 WeakPolarHBondContact O-CB 3.46Å; V487-S491 PolarHBondContact O-N 3.37Å; G488-S491 PolarHBondContact O-N 2.83Å; S489-S491 VanDerWaalsContact C-N 3.34Å; S489-S491 PolarHBondContact O-N 3.4Å; S491-C494 VanDerWaalsContact O-CB 3.28Å; S491-C494 WeakPolarHBondContact O-CB 3.29Å; S491-C494 PolarHBondContact O-N 3.2Å; S491-R495 WeakPolarHBondContact O-CG 3.12Å; S491-R495 PolarHBondContact O-N 3.42Å
492M85.8Confident82.9Confident60 Ų6032.9 Ų32.930%0.29618%0.177SC..Hα-helixtrans-60.9-45.6173.2-69.9-170.7-72.100111.7L168 I354 G488 S489 G490 C494 R495 V496L168-M492 HydrophobicContact CD2-CG 4.24Å; L168-M492 HydrophobicContact CD2-SD 4.05Å; I354-M492 HydrophobicContact CD1-CE 4.18Å; G488-M492 WeakPolarHBondContact O-CG 3.26Å; G488-M492 PolarHBondContact O-N 2.83Å; S489-M492 WeakPolarHBondContact O-CB 3.2Å; S489-M492 PolarHBondContact O-N 3.26Å; G490-M492 VanDerWaalsContact C-N 3.33Å; G490-M492 PolarHBondContact O-N 2.94Å; M492-C494 VanDerWaalsContact C-N 3.3Å; M492-C494 PolarHBondContact O-N 2.86Å; M492-R495 WeakPolarHBondContact O-CB 3.45Å; M492-R495 PolarHBondContact O-N 3.04Å; M492-R495 VanDerWaalsContact O-N 3.1Å; M492-V496 WeakPolarHBondContact O-CG2 3.3Å; M492-V496 PolarHBondContact O-N 3.25Å
493M88.9Confident83.8Confident56 Ų5636.5 Ų36.528%0.27619%0.194SC..Hα-helixtrans-64.5-34.4177.2-67.2-57.5103.600112.7W371 S489 G490 V496 G497W371-M493 HydrophobicContact CB-CB 4.47Å; W371-M493 HydrophobicContact CB-CG 3.96Å; W371-M493 HydrophobicContact CD2-CG 3.86Å; W371-M493 HydrophobicContact CE3-CG 4.06Å; W371-M493 HydrophobicContact CE3-SD 4.27Å; W371-M493 HydrophobicContact CG-CG 3.83Å; S489-M493 PolarHBondContact O-N 3.23Å; S489-M493 VanDerWaalsContact O-N 3.11Å; G490-M493 PolarHBondContact O-N 3.44Å; M493-V496 HydrophobicContact CE-CG2 4.21Å; M493-V496 PolarHBondContact O-N 3.16Å; M493-G497 PolarHBondContact O-N 3.42Å
494C88.4Confident84.9Confident6 Ų630.1 Ų30.14%0.04117%0.172CC..Hα-helixtrans-57.9-46.9169.6171.10000111.8W374 S378 F466 G490 S491 M492 V496 G497 S498W374-C494 HydrophobicContact CB-CB 4.39Å; W374-C494 HydrophobicContact CE3-CB 3.78Å; W374-C494 HydrophobicContact CZ3-CB 4.37Å; S378-C494 WeakPolarHBondContact CB-O 3.47Å; S378-C494 WeakPolarHBondContact CB-SG 3.49Å; S378-C494 PolarHBondContact OG-O 2.89Å; S378-C494 PolarHBondContact OG-SG 2.97Å; S378-C494 VanDerWaalsContact OG-SG 3.37Å; F466-C494 WeakPolarHBondContact CZ-SG 3.33Å; G490-C494 PolarHBondContact O-N 2.88Å; S491-C494 VanDerWaalsContact O-CB 3.28Å; S491-C494 WeakPolarHBondContact O-CB 3.29Å; S491-C494 PolarHBondContact O-N 3.2Å; M492-C494 VanDerWaalsContact C-N 3.3Å; M492-C494 PolarHBondContact O-N 2.86Å; C494-V496 VanDerWaalsContact C-N 3.33Å; C494-V496 PolarHBondContact O-N 3.27Å; C494-G497 WeakPolarHBondContact O-CA 3.28Å; C494-G497 PolarHBondContact O-N 3.44Å; C494-G497 VanDerWaalsContact O-N 3.11Å; C494-S498 PolarHBondContact O-N 3.5Å
495R88.1Confident85.9Confident26 Ų2624.4 Ų24.410%0.09814%0.137CC..Hα-helixtrans-62.9-38.3176.9-61.6-52.4-175.2174.41.2112.3V163 L164 S491 M492 G497 S498 I499V163-R495 VanDerWaalsContact CG1-NH1 3.31Å; L164-R495 HydrophobicContact CB-CB 4.14Å; L164-R495 HydrophobicContact CD1-CB 3.66Å; L164-R495 HydrophobicContact CD1-CG 4.06Å; L164-R495 HydrophobicContact CG-CB 4.41Å; S491-R495 WeakPolarHBondContact O-CG 3.12Å; S491-R495 PolarHBondContact O-N 3.42Å; M492-R495 WeakPolarHBondContact O-CB 3.45Å; M492-R495 PolarHBondContact O-N 3.04Å; M492-R495 VanDerWaalsContact O-N 3.1Å; R495-G497 VanDerWaalsContact C-N 3.32Å; R495-G497 PolarHBondContact O-N 3.02Å; R495-S498 WeakPolarHBondContact CA-OG 3.11Å; R495-S498 PolarHBondContact O-N 2.89Å; R495-S498 VanDerWaalsContact O-N 3.15Å; R495-S498 PolarHBondContact O-OG 3.35Å; R495-I499 WeakPolarHBondContact O-CG1 3.49Å; R495-I499 PolarHBondContact O-N 2.68Å; R495-I499 VanDerWaalsContact O-N 3.11Å
496V90.8Very high86.5Confident54 Ų5426.6 Ų26.633%0.32714%0.144SC..Hα-helixtrans-60.5-43.1172.7-177.30000110.6F375 M492 M493 C494 S498 I499 V500F375-V496 HydrophobicContact CD2-CB 4.44Å; F375-V496 HydrophobicContact CD2-CG1 4.42Å; F375-V496 HydrophobicContact CE2-CB 4.5Å; F375-V496 HydrophobicContact CE2-CG1 4.07Å; M492-V496 WeakPolarHBondContact O-CG2 3.3Å; M492-V496 PolarHBondContact O-N 3.25Å; M493-V496 HydrophobicContact CE-CG2 4.21Å; M493-V496 PolarHBondContact O-N 3.16Å; C494-V496 VanDerWaalsContact C-N 3.33Å; C494-V496 PolarHBondContact O-N 3.27Å; V496-S498 VanDerWaalsContact C-N 3.29Å; V496-S498 PolarHBondContact O-N 3.32Å; V496-I499 PolarHBondContact O-N 3.21Å; V496-I499 VanDerWaalsContact O-N 3.1Å; V496-V500 WeakPolarHBondContact O-CG2 3.32Å; V496-V500 PolarHBondContact O-N 3.07Å; V496-V500 VanDerWaalsContact O-N 3.12Å
497G89.9Confident87Confident0 Ų029.4 Ų29.40%016%0.159CC..Hα-helixtrans-57-39.9173.400000113.2F375 M493 C494 R495 I499 V500 A501F375-G497 VanDerWaalsContact CD2-CA 3.48Å; F375-G497 VanDerWaalsContact CE2-CA 3.45Å; M493-G497 PolarHBondContact O-N 3.42Å; C494-G497 WeakPolarHBondContact O-CA 3.28Å; C494-G497 PolarHBondContact O-N 3.44Å; C494-G497 VanDerWaalsContact O-N 3.11Å; R495-G497 VanDerWaalsContact C-N 3.32Å; R495-G497 PolarHBondContact O-N 3.02Å; G497-I499 PolarHBondContact O-N 3.33Å; G497-V500 PolarHBondContact O-N 2.82Å; G497-A501 PolarHBondContact O-N 3.44Å
498S90.4Very high87.2Confident0 Ų030.1 Ų30.10%016%0.163CC..Hα-helixtrans-67.7-29.7175.872.40000114.3M160 Y382 C494 R495 V496 P502M160-S498 WeakPolarHBondContact CG-O 3.49Å; Y382-S498 VanDerWaalsContact CD2-CB 3.47Å; C494-S498 PolarHBondContact O-N 3.5Å; R495-S498 WeakPolarHBondContact CA-OG 3.11Å; R495-S498 PolarHBondContact O-N 2.89Å; R495-S498 VanDerWaalsContact O-N 3.15Å; R495-S498 PolarHBondContact O-OG 3.35Å; V496-S498 VanDerWaalsContact C-N 3.29Å; V496-S498 PolarHBondContact O-N 3.32Å; S498-P502 VanDerWaalsContact O-CD 3.25Å; S498-P502 WeakPolarHBondContact O-CD 3.38Å
499I92.9Very high87.2Confident31 Ų3133.7 Ų33.716%0.15918%0.176CC..Hα-helixtrans-72.7-36.3175-64.8165.4000110.8M160 L161 L164 R495 V496 G497 P502 F503M160-I499 HydrophobicContact CB-CB 4.39Å; M160-I499 HydrophobicContact CB-CG1 3.77Å; L161-I499 HydrophobicContact CB-CD1 4.43Å; L161-I499 HydrophobicContact CD1-CD1 4.03Å; L164-I499 HydrophobicContact CB-CD1 4.29Å; L164-I499 HydrophobicContact CD2-CD1 3.93Å; R495-I499 WeakPolarHBondContact O-CG1 3.49Å; R495-I499 PolarHBondContact O-N 2.68Å; R495-I499 VanDerWaalsContact O-N 3.11Å; V496-I499 PolarHBondContact O-N 3.21Å; V496-I499 VanDerWaalsContact O-N 3.1Å; G497-I499 PolarHBondContact O-N 3.33Å; I499-P502 WeakPolarHBondContact O-CD 3.45Å; I499-F503 WeakPolarHBondContact O-CD2 3.34Å
500V92.8Very high87.2Confident52 Ų5239.2 Ų39.232%0.31521%0.209SC..Hα-helixtrans-75.9-29.1179.2178.60000111.8F375 L379 V496 G497 F503 C504F375-V500 HydrophobicContact CE2-CG2 4.22Å; F375-V500 HydrophobicContact CZ-CB 4.34Å; F375-V500 HydrophobicContact CZ-CG1 4.43Å; F375-V500 HydrophobicContact CZ-CG2 4.25Å; L379-V500 HydrophobicContact CD1-CB 4.07Å; L379-V500 HydrophobicContact CD1-CG1 3.93Å; V496-V500 WeakPolarHBondContact O-CG2 3.32Å; V496-V500 PolarHBondContact O-N 3.07Å; V496-V500 VanDerWaalsContact O-N 3.12Å; G497-V500 PolarHBondContact O-N 2.82Å; V500-F503 WeakPolarHBondContact O-CB 3.18Å; V500-F503 PolarHBondContact O-N 3.15Å; V500-F503 VanDerWaalsContact O-N 3.15Å; V500-C504 PolarHBondContact O-N 3.33Å
501A90.9Very high86.9Confident0 Ų043.4 Ų43.40%023%0.225CC..Hα-helixtrans-54.8-47.2-174.200000115.6L379 Y382 V383 G497 F503 C504 V505L379-A501 HydrophobicContact CD1-CB 3.94Å; Y382-A501 VanDerWaalsContact CB-CB 3.43Å; V383-A501 HydrophobicContact CG2-CB 4Å; G497-A501 PolarHBondContact O-N 3.44Å; A501-F503 VanDerWaalsContact C-N 3.31Å; A501-F503 PolarHBondContact O-N 3.34Å; A501-C504 WeakPolarHBondContact O-CB 3.28Å; A501-C504 PolarHBondContact O-N 3.18Å; A501-C504 VanDerWaalsContact O-N 3.14Å; A501-V505 PolarHBondContact O-N 3.27Å; A501-V505 VanDerWaalsContact O-N 3.09Å
502P89.4Confident86.6Confident1 Ų145.5 Ų45.51%0.00624%0.237CC..Hα-helixtrans-62.8-37.6178.9-18.730.6000112.1Q156 P157 L386 S498 I499 C504 V505 Y506Q156-P502 HydrophobicContact CB-CB 4.03Å; Q156-P502 HydrophobicContact CB-CG 4.05Å; Q156-P502 HydrophobicContact CG-CB 3.93Å; Q156-P502 HydrophobicContact CG-CG 3.52Å; P157-P502 HydrophobicContact CG-CB 3.95Å; P157-P502 HydrophobicContact CG-CG 4.22Å; L386-P502 HydrophobicContact CD1-CB 4.2Å; L386-P502 HydrophobicContact CD1-CG 3.92Å; S498-P502 VanDerWaalsContact O-CD 3.25Å; S498-P502 WeakPolarHBondContact O-CD 3.38Å; I499-P502 WeakPolarHBondContact O-CD 3.45Å; P502-C504 VanDerWaalsContact C-N 3.29Å; P502-C504 PolarHBondContact O-N 3.17Å; P502-V505 PolarHBondContact O-N 2.9Å; P502-V505 VanDerWaalsContact O-N 3.07Å; P502-Y506 HydrophobicContact CB-CE2 4.04Å; P502-Y506 WeakPolarHBondContact O-CD2 3.45Å; P502-Y506 WeakPolarHBondContact O-CE2 3.35Å; P502-Y506 PolarHBondContact O-N 2.82Å
503F90Very high86.2Confident101 Ų10144.2 Ų44.244%0.44323%0.229SC..Hα-helixtrans-60.3-39.7174.4-65.6-67.3000112.1P157 I499 V500 A501 V505 Y506P157-F503 HydrophobicContact CB-CD2 4.29Å; P157-F503 HydrophobicContact CB-CE1 4.43Å; P157-F503 HydrophobicContact CB-CE2 3.48Å; P157-F503 VanDerWaalsContact CB-CE2 3.48Å; P157-F503 HydrophobicContact CB-CZ 3.57Å; P157-F503 HydrophobicContact CG-CD1 4.31Å; P157-F503 HydrophobicContact CG-CD2 4.03Å; P157-F503 HydrophobicContact CG-CE1 3.87Å; P157-F503 HydrophobicContact CG-CE2 3.58Å; P157-F503 HydrophobicContact CG-CG 4.39Å; P157-F503 HydrophobicContact CG-CZ 3.49Å; P157-F503 VanDerWaalsContact CG-CZ 3.49Å; I499-F503 WeakPolarHBondContact O-CD2 3.34Å; V500-F503 WeakPolarHBondContact O-CB 3.18Å; V500-F503 PolarHBondContact O-N 3.15Å; V500-F503 VanDerWaalsContact O-N 3.15Å; A501-F503 VanDerWaalsContact C-N 3.31Å; A501-F503 PolarHBondContact O-N 3.34Å; F503-V505 VanDerWaalsContact C-N 3.34Å; F503-V505 PolarHBondContact O-N 3.31Å; F503-Y506 PolarHBondContact O-N 3.13Å
504C89.6Confident85.9Confident15 Ų1543.6 Ų43.610%0.10123%0.226CC..Hα-helixtrans-64-37.5173.7-690000112.3V383 V500 A501 P502 L507 P515V383-C504 HydrophobicContact CG2-CB 3.84Å; V500-C504 PolarHBondContact O-N 3.33Å; A501-C504 WeakPolarHBondContact O-CB 3.28Å; A501-C504 PolarHBondContact O-N 3.18Å; A501-C504 VanDerWaalsContact O-N 3.14Å; P502-C504 VanDerWaalsContact C-N 3.29Å; P502-C504 PolarHBondContact O-N 3.17Å; C504-L507 VanDerWaalsContact O-CB 3.31Å; C504-L507 WeakPolarHBondContact O-CB 3.45Å; C504-L507 PolarHBondContact O-N 3.06Å; C504-P515 VanDerWaalsContact O-CB 3.3Å; C504-P515 WeakPolarHBondContact O-CB 3.35Å; C504-P515 WeakPolarHBondContact O-CG 3.38Å
505V87.1Confident85.7Confident11 Ų1143.5 Ų43.57%0.06723%0.226CC..Hα-helixtrans-67.4-36.1178.3175.60000111.6V383 L386 A501 P502 F503 L507 V508V383-V505 HydrophobicContact CB-CG2 4.26Å; V383-V505 HydrophobicContact CG1-CG2 4.15Å; V383-V505 HydrophobicContact CG2-CG2 4.18Å; L386-V505 HydrophobicContact CB-CG2 4.03Å; A501-V505 PolarHBondContact O-N 3.27Å; A501-V505 VanDerWaalsContact O-N 3.09Å; P502-V505 PolarHBondContact O-N 2.9Å; P502-V505 VanDerWaalsContact O-N 3.07Å; F503-V505 VanDerWaalsContact C-N 3.34Å; F503-V505 PolarHBondContact O-N 3.31Å; V505-L507 PolarHBondContact O-N 2.93Å; V505-L507 VanDerWaalsContact O-N 3.11Å; V505-V508 WeakPolarHBondContact O-CB 3.37Å; V505-V508 VanDerWaalsContact O-CG2 3.23Å; V505-V508 WeakPolarHBondContact O-CG2 3.33Å; V505-V508 PolarHBondContact O-N 3.01Å; V505-V508 VanDerWaalsContact O-N 3.11Å
506Y84.9Confident85.3Confident62 Ų6243 Ų4324%0.24322%0.224CC..G310 helixtrans-66.9-10.2176.6-61.1-51000114.1K153 P502 F503 V508 D509K153-Y506 HydrophobicContact CB-CD2 3.86Å; K153-Y506 HydrophobicContact CB-CE1 4.34Å; K153-Y506 HydrophobicContact CB-CE2 3.69Å; K153-Y506 HydrophobicContact CB-CG 4.3Å; K153-Y506 HydrophobicContact CD-CD1 4.17Å; K153-Y506 HydrophobicContact CD-CD2 4.32Å; K153-Y506 HydrophobicContact CD-CG 3.98Å; K153-Y506 HydrophobicContact CG-CD1 3.8Å; K153-Y506 HydrophobicContact CG-CD2 3.98Å; K153-Y506 HydrophobicContact CG-CE1 3.85Å; K153-Y506 HydrophobicContact CG-CE2 4.05Å; K153-Y506 HydrophobicContact CG-CG 3.89Å; K153-Y506 WeakPolarHBondContact O-CE2 3.2Å; K153-Y506 PolarHBondContact O-OH 3.47Å; P502-Y506 HydrophobicContact CB-CE2 4.04Å; P502-Y506 WeakPolarHBondContact O-CD2 3.45Å; P502-Y506 WeakPolarHBondContact O-CE2 3.35Å; P502-Y506 PolarHBondContact O-N 2.82Å; F503-Y506 PolarHBondContact O-N 3.13Å; Y506-V508 PolarHBondContact O-N 3.31Å; Y506-D509 PolarHBondContact O-N 3.28Å
507L85.6Confident85Confident60 Ų6042.8 Ų42.831%0.31422%0.221SC..G310 helixtrans-69-7.4171.1-63.9172.9000113.3C504 V505 D509 V510 W511 L514 I518C504-L507 VanDerWaalsContact O-CB 3.31Å; C504-L507 WeakPolarHBondContact O-CB 3.45Å; C504-L507 PolarHBondContact O-N 3.06Å; V505-L507 PolarHBondContact O-N 2.93Å; V505-L507 VanDerWaalsContact O-N 3.11Å; L507-D509 PolarHBondContact O-N 3.37Å; L507-V510 PolarHBondContact O-N 3.48Å; L507-W511 PolarHBondContact O-N 3.31Å; L507-W511 VanDerWaalsContact O-N 3.13Å; L507-L514 HydrophobicContact CB-CD2 3.9Å; L507-L514 HydrophobicContact CB-CG 4.2Å; L507-L514 HydrophobicContact CD1-CD2 4.44Å; L507-I518 HydrophobicContact CD1-CD1 3.53Å
508V80.4Confident84.8Confident34 Ų3445.1 Ų45.121%0.20623%0.233CC..G310 helixtrans-53.8-34.4169.8165.40000112V505 Y506 V510 W511 V512 P515V505-V508 WeakPolarHBondContact O-CB 3.37Å; V505-V508 VanDerWaalsContact O-CG2 3.23Å; V505-V508 WeakPolarHBondContact O-CG2 3.33Å; V505-V508 PolarHBondContact O-N 3.01Å; V505-V508 VanDerWaalsContact O-N 3.11Å; Y506-V508 PolarHBondContact O-N 3.31Å; V508-V510 PolarHBondContact O-N 2.91Å; V508-W511 CarbonylContact O-C 3.58Å; V508-W511 VanDerWaalsContact O-C 3.27Å; V508-W511 PolarHBondContact O-N 2.89Å; V508-V512 PolarHBondContact O-N 2.7Å; V508-P515 HydrophobicContact CG2-CG 3.56Å
509D76.9Confident84.6Confident103 Ų10345.2 Ų45.255%0.55123%0.233SC*.G310 helixtrans-65.7-29.6-177.7-59-31.9000112.5K153 Y506 L507K153-D509 WeakPolarHBondContact CE-OD2 3.44Å; K153-D509 IonicContact NZ-OD2 2.82Å; K153-D509 PolarHBondContact NZ-OD2 3Å; Y506-D509 PolarHBondContact O-N 3.28Å; L507-D509 PolarHBondContact O-N 3.37Å
510V82.4Confident84.2Confident118 Ų11843.8 Ų43.872%0.71523%0.227SC*.THydrogen-bonded Turntrans-81.3-50174.4-176.70000109.4L507 V508L507-V510 PolarHBondContact O-N 3.48Å; V508-V510 PolarHBondContact O-N 2.91Å
511W78.1Confident83.9Confident87 Ų8746.3 Ų46.333%0.3324%0.237SC..  trans-154.2123.7176.4-174.146000111.7L507 V508 Y513 L514 L517L507-W511 PolarHBondContact O-N 3.31Å; L507-W511 VanDerWaalsContact O-N 3.13Å; V508-W511 CarbonylContact O-C 3.58Å; V508-W511 VanDerWaalsContact O-C 3.27Å; V508-W511 PolarHBondContact O-N 2.89Å; W511-Y513 AromaticContact CE2-CD2 3.93Å; W511-Y513 HydrophobicContact CZ2-CD2 4.04Å; W511-Y513 AromaticContact NE1-CD2 3.78Å; W511-Y513 PolarHBondContact O-N 3.25Å; W511-L514 HydrophobicContact CB-CB 4.09Å; W511-L514 HydrophobicContact CE3-CB 3.98Å; W511-L514 HydrophobicContact CE3-CD1 4.27Å; W511-L514 WeakPolarHBondContact O-CB 3.37Å; W511-L514 PolarHBondContact O-N 3.26Å; W511-L517 HydrophobicContact CH2-CD2 4.45Å; W511-L517 HydrophobicContact CZ3-CD2 3.82Å
512V75.8Confident83.8Confident79 Ų7949 Ų4948%0.47925%0.251SS..THydrogen-bonded Turntrans-53-32.5-171.9179.90000114V508V508-V512 PolarHBondContact O-N 2.7Å
513Y77.2Confident83.6Confident33 Ų3349 Ų4913%0.12925%0.251CS..THydrogen-bonded Turntrans-94.7-6.1-177.5-53.4-71.7000114.1K440 R444 W511 Q516 L517K440-Y513 HydrophobicContact CG-CD1 4.28Å; K440-Y513 HydrophobicContact CG-CE1 4.18Å; R444-Y513 HydrophobicContact CG-CE2 4.48Å; W511-Y513 AromaticContact CE2-CD2 3.93Å; W511-Y513 HydrophobicContact CZ2-CD2 4.04Å; W511-Y513 AromaticContact NE1-CD2 3.78Å; W511-Y513 PolarHBondContact O-N 3.25Å; Y513-Q516 PolarHBondContact O-N 3.06Å; Y513-L517 PolarHBondContact O-N 2.94Å
514L82.7Confident83.4Confident42 Ų4249 Ų4922%0.2225%0.252CS..Hα-helixtrans-61-45.1-172.9-174.157.3000114.5L507 W511 Q516 L517 I518L507-L514 HydrophobicContact CB-CD2 3.9Å; L507-L514 HydrophobicContact CB-CG 4.2Å; L507-L514 HydrophobicContact CD1-CD2 4.44Å; W511-L514 HydrophobicContact CB-CB 4.09Å; W511-L514 HydrophobicContact CE3-CB 3.98Å; W511-L514 HydrophobicContact CE3-CD1 4.27Å; W511-L514 WeakPolarHBondContact O-CB 3.37Å; W511-L514 PolarHBondContact O-N 3.26Å; L514-Q516 VanDerWaalsContact C-N 3.29Å; L514-Q516 PolarHBondContact O-N 3.15Å; L514-L517 PolarHBondContact O-N 2.99Å; L514-I518 HydrophobicContact CD1-CD1 4.07Å; L514-I518 HydrophobicContact CD1-CG1 4.23Å; L514-I518 HydrophobicContact CG-CD1 3.97Å; L514-I518 WeakPolarHBondContact O-CG1 3.45Å; L514-I518 PolarHBondContact O-N 3.33Å
515P84.3Confident83.3Confident5 Ų551 Ų513%0.03227%0.268CS..Hα-helixtrans-60.2-40.3-179.8-16.123.5000112.7V383 C504 V508 V519V383-P515 HydrophobicContact CG1-CB 3.98Å; C504-P515 VanDerWaalsContact O-CB 3.3Å; C504-P515 WeakPolarHBondContact O-CB 3.35Å; C504-P515 WeakPolarHBondContact O-CG 3.38Å; V508-P515 HydrophobicContact CG2-CG 3.56Å; P515-V519 WeakPolarHBondContact O-CG2 3.28Å; P515-V519 PolarHBondContact O-N 3.04Å; P515-V519 VanDerWaalsContact O-N 3.12Å
516Q79.7Confident83.1Confident16 Ų1650.6 Ų50.68%0.07527%0.266CS..Hα-helixtrans-74.1-35.5-178.3-64.9-177.5-32.300111.6K440 S455 Y513 L514 V519 G520K440-Q516 VanDerWaalsContact NZ-CD 3.27Å; S455-Q516 PolarHBondContact OG-NE2 2.89Å; Y513-Q516 PolarHBondContact O-N 3.06Å; L514-Q516 VanDerWaalsContact C-N 3.29Å; L514-Q516 PolarHBondContact O-N 3.15Å; Q516-V519 PolarHBondContact O-N 3.45Å; Q516-G520 PolarHBondContact O-N 2.97Å
517L83.3Confident83Confident48 Ų4847.7 Ų47.725%0.25126%0.255SS..Hα-helixtrans-63.1-44.8173.3-17468.6000111.4W511 Y513 L514 V519 G520 I521W511-L517 HydrophobicContact CH2-CD2 4.45Å; W511-L517 HydrophobicContact CZ3-CD2 3.82Å; Y513-L517 PolarHBondContact O-N 2.94Å; L514-L517 PolarHBondContact O-N 2.99Å; L517-V519 PolarHBondContact O-N 2.97Å; L517-G520 PolarHBondContact O-N 2.94Å; L517-I521 HydrophobicContact CD1-CD1 4.32Å; L517-I521 HydrophobicContact CG-CD1 3.94Å; L517-I521 WeakPolarHBondContact O-CG1 3.43Å; L517-I521 PolarHBondContact O-N 3.29Å
518I87.1Confident83Confident49 Ų4948.1 Ų48.125%0.25126%0.26SS..Hα-helixtrans-59-49.8177-69.4166.4000110.4L507 L514 G520 I521 L522L507-I518 HydrophobicContact CD1-CD1 3.53Å; L514-I518 HydrophobicContact CD1-CD1 4.07Å; L514-I518 HydrophobicContact CD1-CG1 4.23Å; L514-I518 HydrophobicContact CG-CD1 3.97Å; L514-I518 WeakPolarHBondContact O-CG1 3.45Å; L514-I518 PolarHBondContact O-N 3.33Å; I518-G520 VanDerWaalsContact C-N 3.3Å; I518-G520 PolarHBondContact O-N 3.25Å; I518-I521 PolarHBondContact O-N 2.9Å; I518-L522 HydrophobicContact CG2-CD1 3.84Å; I518-L522 HydrophobicContact CG2-CG 4.46Å; I518-L522 WeakPolarHBondContact O-CB 3.37Å; I518-L522 VanDerWaalsContact O-CG 3.27Å; I518-L522 WeakPolarHBondContact O-CG 3.32Å; I518-L522 PolarHBondContact O-N 2.93Å
519V85.3Confident83.1Confident2 Ų249.4 Ų49.41%0.01227%0.265CS..Hα-helixtrans-62.2-39.4177.7172.80000111.4V383 F384 P515 Q516 L517 L522 A523V383-V519 HydrophobicContact CB-CG2 3.85Å; V383-V519 HydrophobicContact CG1-CG2 3.74Å; V383-V519 HydrophobicContact CG2-CG2 3.97Å; F384-V519 HydrophobicContact CD2-CG1 4.46Å; F384-V519 HydrophobicContact CE2-CG1 3.8Å; P515-V519 WeakPolarHBondContact O-CG2 3.28Å; P515-V519 PolarHBondContact O-N 3.04Å; P515-V519 VanDerWaalsContact O-N 3.12Å; Q516-V519 PolarHBondContact O-N 3.45Å; L517-V519 PolarHBondContact O-N 2.97Å; V519-L522 PolarHBondContact O-N 3.15Å; V519-A523 WeakPolarHBondContact O-CB 3.46Å; V519-A523 PolarHBondContact O-N 3.07Å
520G84.1Confident83.3Confident2 Ų244.8 Ų44.82%0.02124%0.241CC..Hα-helixtrans-61.1-48.8175.900000112.8P434 Q516 L517 I518 L522 A523 F524P434-G520 WeakPolarHBondContact CB-O 3.41Å; P434-G520 VanDerWaalsContact CG-O 3.28Å; P434-G520 WeakPolarHBondContact CG-O 3.48Å; Q516-G520 PolarHBondContact O-N 2.97Å; L517-G520 PolarHBondContact O-N 2.94Å; I518-G520 VanDerWaalsContact C-N 3.3Å; I518-G520 PolarHBondContact O-N 3.25Å; G520-L522 PolarHBondContact O-N 3.42Å; G520-A523 PolarHBondContact O-N 3.28Å; G520-F524 PolarHBondContact O-N 3.32Å
521I87.6Confident83.1Confident105 Ų10544.2 Ų44.254%0.53823%0.233SC..Hα-helixtrans-63.2-43.9178.9-66.5166.4000110.8L517 I518 F524 A525L517-I521 HydrophobicContact CD1-CD1 4.32Å; L517-I521 HydrophobicContact CG-CD1 3.94Å; L517-I521 WeakPolarHBondContact O-CG1 3.43Å; L517-I521 PolarHBondContact O-N 3.29Å; I518-I521 PolarHBondContact O-N 2.9Å; I521-F524 PolarHBondContact O-N 2.82Å; I521-A525 PolarHBondContact O-N 3.07Å
522L88.7Confident83.1Confident56 Ų5646.5 Ų46.529%0.29325%0.251SS..Hα-helixtrans-64.2-41.7177-69.3175000111.7I376 L379 I518 V519 G520 F524 A525 I526I376-L522 HydrophobicContact CD1-CB 4.02Å; I376-L522 HydrophobicContact CG1-CB 4.19Å; I376-L522 HydrophobicContact CG2-CB 3.99Å; L379-L522 HydrophobicContact CD2-CD1 3.7Å; I518-L522 HydrophobicContact CG2-CD1 3.84Å; I518-L522 HydrophobicContact CG2-CG 4.46Å; I518-L522 WeakPolarHBondContact O-CB 3.37Å; I518-L522 VanDerWaalsContact O-CG 3.27Å; I518-L522 WeakPolarHBondContact O-CG 3.32Å; I518-L522 PolarHBondContact O-N 2.93Å; V519-L522 PolarHBondContact O-N 3.15Å; G520-L522 PolarHBondContact O-N 3.42Å; L522-F524 VanDerWaalsContact C-N 3.33Å; L522-F524 PolarHBondContact O-N 2.73Å; L522-A525 PolarHBondContact O-N 2.9Å; L522-I526 PolarHBondContact O-N 2.93Å
523A85.1Confident83.2Confident1 Ų143.2 Ų43.21%0.00823%0.231CC..Hα-helixtrans-63.5-37.4175.300000112.1Y430 V519 G520 I526 G527Y430-A523 HydrophobicContact CD1-CB 4.34Å; V519-A523 WeakPolarHBondContact O-CB 3.46Å; V519-A523 PolarHBondContact O-N 3.07Å; G520-A523 PolarHBondContact O-N 3.28Å; A523-I526 WeakPolarHBondContact O-CG2 3.27Å; A523-G527 PolarHBondContact O-N 2.86Å
524F86.1Confident82.9Confident102 Ų10242.3 Ų42.345%0.44723%0.229SC..Hα-helixtrans-64.6-50.5174.1-177.1-103.4000111.4I431 P434 G520 I521 L522 I526 G527 V528I431-F524 HydrophobicContact CG2-CE2 4.41Å; P434-F524 HydrophobicContact CB-CB 4.33Å; P434-F524 HydrophobicContact CG-CB 3.66Å; P434-F524 HydrophobicContact CG-CD2 4.31Å; P434-F524 HydrophobicContact CG-CG 4.47Å; G520-F524 PolarHBondContact O-N 3.32Å; I521-F524 PolarHBondContact O-N 2.82Å; L522-F524 VanDerWaalsContact C-N 3.33Å; L522-F524 PolarHBondContact O-N 2.73Å; F524-I526 VanDerWaalsContact C-N 3.26Å; F524-I526 PolarHBondContact O-N 2.78Å; F524-G527 PolarHBondContact O-N 2.96Å; F524-G527 VanDerWaalsContact O-N 3.12Å; F524-V528 HydrophobicContact CD1-CG2 4.47Å; F524-V528 HydrophobicContact CE1-CG2 4.05Å; F524-V528 HydrophobicContact CZ-CG2 4.07Å; F524-V528 PolarHBondContact O-N 3.11Å
525A86.9Confident82.4Confident55 Ų5543.3 Ų43.346%0.45523%0.233SC..Hα-helixtrans-57.2-41.7179.900000111.5I521 L522 V528 L529I521-A525 PolarHBondContact O-N 3.07Å; L522-A525 PolarHBondContact O-N 2.9Å; A525-V528 PolarHBondContact O-N 3.42Å; A525-L529 WeakPolarHBondContact O-CB 3.31Å; A525-L529 PolarHBondContact O-N 3.14Å
526I84.1Confident81.5Confident4 Ų443.4 Ų43.42%0.02123%0.233CC..Hα-helixtrans-74.2-32.5178.1-150.574000113A372 I373 I376 Y430 L522 A523 F524 V528 L529 T530A372-I526 HydrophobicContact CB-CD1 3.43Å; A372-I526 VanDerWaalsContact CB-CD1 3.43Å; I373-I526 HydrophobicContact CB-CG1 4.16Å; I373-I526 HydrophobicContact CG1-CD1 3.81Å; I373-I526 HydrophobicContact CG1-CG1 3.34Å; I376-I526 HydrophobicContact CD1-CB 3.86Å; I376-I526 HydrophobicContact CD1-CD1 4.01Å; I376-I526 HydrophobicContact CD1-CG1 4.19Å; I376-I526 HydrophobicContact CD1-CG2 4.44Å; I376-I526 HydrophobicContact CG2-CG2 4.36Å; Y430-I526 HydrophobicContact CD1-CG2 3.83Å; Y430-I526 HydrophobicContact CD2-CG2 4.43Å; Y430-I526 HydrophobicContact CE1-CG2 4.02Å; Y430-I526 HydrophobicContact CG-CG2 4.07Å; L522-I526 PolarHBondContact O-N 2.93Å; A523-I526 WeakPolarHBondContact O-CG2 3.27Å; F524-I526 VanDerWaalsContact C-N 3.26Å; F524-I526 PolarHBondContact O-N 2.78Å; I526-V528 VanDerWaalsContact C-N 3.31Å; I526-V528 PolarHBondContact O-N 2.81Å; I526-L529 HydrophobicContact CD1-CB 4.39Å; I526-L529 HydrophobicContact CD1-CD2 3.95Å; I526-L529 PolarHBondContact O-N 2.92Å; I526-T530 WeakPolarHBondContact O-CB 3.47Å; I526-T530 PolarHBondContact O-N 3.43Å; I526-T530 PolarHBondContact O-OG1 2.98Å
527G82.4Confident80.3Confident0 Ų046 Ų460%025%0.247CC..Hα-helixtrans-59.3-43.3172.200000111.7A523 F524 T530 L531A523-G527 PolarHBondContact O-N 2.86Å; F524-G527 PolarHBondContact O-N 2.96Å; F524-G527 VanDerWaalsContact O-N 3.12Å; G527-T530 PolarHBondContact O-N 3.18Å; G527-L531 PolarHBondContact O-N 3.25Å
528V84.9Confident78.9Confident70 Ų7047.6 Ų47.642%0.42427%0.274SS..Hα-helixtrans-65.3-43.9173.4177.20000111.3F524 A525 I526 T530 L531F524-V528 HydrophobicContact CD1-CG2 4.47Å; F524-V528 HydrophobicContact CE1-CG2 4.05Å; F524-V528 HydrophobicContact CZ-CG2 4.07Å; F524-V528 PolarHBondContact O-N 3.11Å; A525-V528 PolarHBondContact O-N 3.42Å; I526-V528 VanDerWaalsContact C-N 3.31Å; I526-V528 PolarHBondContact O-N 2.81Å; V528-T530 VanDerWaalsContact C-N 3.25Å; V528-T530 PolarHBondContact O-N 3.41Å; V528-L531 WeakPolarHBondContact O-CB 3.4Å; V528-L531 PolarHBondContact O-N 3.46Å
529L82.6Confident77.6Confident61 Ų6151.2 Ų51.232%0.31929%0.29SS..Hα-helixtrans-65.7-30.9179-161.365.4000112.1T369 A525 I526 L531 L532 L533T369-L529 HydrophobicContact CG2-CB 4.16Å; T369-L529 HydrophobicContact CG2-CD2 3.6Å; T369-L529 HydrophobicContact CG2-CG 3.53Å; T369-L529 WeakPolarHBondContact OG1-CD2 3.39Å; T369-L529 WeakPolarHBondContact OG1-CG 3.29Å; A525-L529 WeakPolarHBondContact O-CB 3.31Å; A525-L529 PolarHBondContact O-N 3.14Å; I526-L529 HydrophobicContact CD1-CB 4.39Å; I526-L529 HydrophobicContact CD1-CD2 3.95Å; I526-L529 PolarHBondContact O-N 2.92Å; L529-L531 VanDerWaalsContact C-N 3.3Å; L529-L531 PolarHBondContact O-N 3.35Å; L529-L532 HydrophobicContact CD1-CD1 3.83Å; L529-L532 WeakPolarHBondContact O-CB 3.38Å; L529-L532 PolarHBondContact O-N 3.12Å; L529-L533 VanDerWaalsContact O-CD1 3.25Å; L529-L533 WeakPolarHBondContact O-CD1 3.35Å
530T80.9Confident76.3Confident5 Ų556 Ų563%0.03132%0.322CS..Hα-helixtrans-68.3-27.9177.7-56.40000112.2L423 C426 V427 I526 G527 V528 L532 L533L423-T530 HydrophobicContact CD2-CG2 3.79Å; C426-T530 HydrophobicContact CB-CG2 4.49Å; V427-T530 HydrophobicContact CG2-CG2 4.18Å; I526-T530 WeakPolarHBondContact O-CB 3.47Å; I526-T530 PolarHBondContact O-N 3.43Å; I526-T530 PolarHBondContact O-OG1 2.98Å; G527-T530 PolarHBondContact O-N 3.18Å; V528-T530 VanDerWaalsContact C-N 3.25Å; V528-T530 PolarHBondContact O-N 3.41Å; T530-L532 PolarHBondContact O-N 3.43Å; T530-L533 PolarHBondContact O-N 2.87Å
531L79.2Confident75.4Confident107 Ų10760.3 Ų60.356%0.5634%0.344SS*.THydrogen-bonded Turntrans-64.1-20.6173.5-76.7164.2000113.5V427 G527 V528 L529 L533V427-L531 HydrophobicContact CB-CD2 4.44Å; V427-L531 HydrophobicContact CG1-CD1 4.11Å; V427-L531 HydrophobicContact CG1-CD2 3.85Å; V427-L531 HydrophobicContact CG1-CG 3.84Å; V427-L531 HydrophobicContact CG2-CD2 3.94Å; V427-L531 HydrophobicContact CG2-CG 4.03Å; G527-L531 PolarHBondContact O-N 3.25Å; V528-L531 WeakPolarHBondContact O-CB 3.4Å; V528-L531 PolarHBondContact O-N 3.46Å; L529-L531 VanDerWaalsContact C-N 3.3Å; L529-L531 PolarHBondContact O-N 3.35Å; L531-L533 PolarHBondContact O-N 2.88Å
532L77.4Confident74.2Confident135 Ų13555.5 Ų55.571%0.70732%0.319SS*.THydrogen-bonded Turntrans-80.3-5.5176.6-62.1168.7000112.6L529 T530L529-L532 HydrophobicContact CD1-CD1 3.83Å; L529-L532 WeakPolarHBondContact O-CB 3.38Å; L529-L532 PolarHBondContact O-N 3.12Å; T530-L532 PolarHBondContact O-N 3.43Å
533L77.9Confident73Confident9 Ų956.4 Ų56.45%0.04733%0.327CS..SBendtrans-95.1145.9179.3-74.585.1000111.5T369 V370 L423 Y472 L476 L529 T530 L531T369-L533 HydrophobicContact CG2-CD1 3.27Å; T369-L533 HydrophobicContact CG2-CD2 4.42Å; T369-L533 HydrophobicContact CG2-CG 4.47Å; V370-L533 HydrophobicContact CG2-CD2 4.04Å; L423-L533 WeakPolarHBondContact CD1-O 3.19Å; Y472-L533 HydrophobicContact CE1-CB 4.23Å; Y472-L533 HydrophobicContact CE1-CD2 3.62Å; Y472-L533 WeakPolarHBondContact OH-CB 3.41Å; L476-L533 HydrophobicContact CD2-CD2 3.85Å; L529-L533 VanDerWaalsContact O-CD1 3.25Å; L529-L533 WeakPolarHBondContact O-CD1 3.35Å; T530-L533 PolarHBondContact O-N 2.87Å; L531-L533 PolarHBondContact O-N 2.88Å
534P71.2Confident72.3Confident14 Ų1459.3 Ų59.39%0.09135%0.345CS..PPolyproline II helixtrans-71.3146.7-176.630-36000112.4Y472 L476 T536 L551Y472-P534 PolarHBondContact OH-O 3.2Å; L476-P534 HydrophobicContact CD1-CG 3.79Å; P534-T536 PolarHBondContact O-N 2.99Å; P534-L551 HydrophobicContact CG-CB 4.5Å; P534-L551 HydrophobicContact CG-CD2 4.13Å
535E71.9Confident71.3Confident64 Ų6457.7 Ų57.730%0.29934%0.341SS..PPolyproline II helixtrans-67132.2170.5-175.170.3-12800109.4R422 L423R422-E535 PolarHBondContact N-OE1 3.02Å; R422-E535 VanDerWaalsContact N-OE1 3.08Å; L423-E535 VanDerWaalsContact CB-OE2 3.25Å; L423-E535 WeakPolarHBondContact CB-OE2 3.1Å; L423-E535 VanDerWaalsContact CD1-CA 3.5Å; L423-E535 HydrophobicContact CD1-CB 3.89Å
536T65.6Low70.2Confident7 Ų762.6 Ų62.64%0.04335%0.354CS..  trans-106.7-11.2-176.756.10000113.3Y472 E475 P534 G538 L551Y472-T536 HydrophobicContact CD2-CG2 4.23Å; Y472-T536 HydrophobicContact CE2-CG2 3.64Å; E475-T536 HydrophobicContact CB-CG2 3.94Å; E475-T536 VanDerWaalsContact OE2-CB 3.29Å; E475-T536 WeakPolarHBondContact OE2-CB 2.97Å; E475-T536 PolarHBondContact OE2-OG1 2.94Å; P534-T536 PolarHBondContact O-N 2.99Å; T536-G538 PolarHBondContact O-N 2.89Å; T536-L551 HydrophobicContact CG2-CD2 4.24Å
537L54.1Low69.4Low71 Ų7166.4 Ų66.437%0.37237%0.372SS..THydrogen-bonded Turntrans-70.8116.2-175.7-165.585000111.6K421 R422K421-L537 HydrophobicContact CB-CD2 4.29Å; K421-L537 HydrophobicContact CG-CB 4.35Å; K421-L537 HydrophobicContact CG-CD2 3.61Å; R422-L537 HydrophobicContact CG-CD1 4.49Å
538G54Low68.5Low80 Ų8066.4 Ų66.483%0.82537%0.372SS*.THydrogen-bonded Turntrans94-3.4173.900000114.9T536T536-G538 PolarHBondContact O-N 2.89Å
539E60.2Low67.8Low125 Ų12565.7 Ų65.758%0.58436%0.364SS*.SBendtrans-86.5145.9174.9-68-66157.300111
540P57.1Low66.9Low103 Ų10366 Ų6667%0.66937%0.371SS*.PPolyproline II helixtrans-63.9139.4174.427.4-32.8000110.6
541L64.4Low66.2Low93 Ų9366.9 Ų66.949%0.48738%0.375SS..PPolyproline II helixtrans-58.9127.3178.3-77.1153.6000110.4E475 T543E475-L541 HydrophobicContact CG-CD2 4.23Å; L541-T543 PolarHBondContact O-N 2.76Å
542P63.8Low65.1Low4 Ų465 Ų653%0.02638%0.382CS..PPolyproline II helixtrans-62.9132.1-179.423.6-31.2000110E475 P478 T479 R482 E547 A548E475-P542 WeakPolarHBondContact O-CD 3.16Å; P478-P542 WeakPolarHBondContact CA-O 3.34Å; P478-P542 HydrophobicContact CB-CB 4.39Å; T479-P542 PolarHBondContact N-O 3.36Å; R482-P542 PolarHBondContact NH2-O 2.92Å; P542-E547 HydrophobicContact CB-CB 4Å; P542-A548 HydrophobicContact CB-CB 3.96Å; P542-A548 HydrophobicContact CG-CB 4.17Å
543T63.6Low64.1Low74 Ų7461.9 Ų61.945%0.45437%0.371SS..  trans-97.6-31177.962.40000111L541 E547L541-T543 PolarHBondContact O-N 2.76Å; T543-E547 PolarHBondContact N-OE2 2.75Å; T543-E547 PolarHBondContact OG1-OE2 2.85Å
544T70.1Confident62.2Low62 Ų6268.4 Ų68.438%0.3841%0.406SS..SBendtrans-115.7161.8-179.767.70000112.6P478 E546 E547 A548P478-T544 WeakPolarHBondContact CB-O 3.44Å; T544-E546 VanDerWaalsContact C-N 3.32Å; T544-E546 PolarHBondContact O-N 3.15Å; T544-E547 PolarHBondContact N-OE2 2.78Å; T544-E547 PolarHBondContact O-N 3.15Å; T544-E547 WeakPolarHBondContact OG1-CB 3.13Å; T544-E547 VanDerWaalsContact OG1-CG 3.25Å; T544-E547 WeakPolarHBondContact OG1-CG 3.2Å; T544-E547 PolarHBondContact OG1-N 3.3Å; T544-A548 PolarHBondContact O-N 2.83Å; T544-A548 VanDerWaalsContact O-N 3.17Å
545L64.6Low60.7Low69 Ų6973.4 Ų73.436%0.36144%0.439SS..Hα-helixtrans-64.8-36.3177.4-171.562.8000112M363 P478 I481 A548 E549M363-L545 HydrophobicContact CE-CD1 4.06Å; M363-L545 HydrophobicContact CG-CD1 4.37Å; P478-L545 HydrophobicContact CG-CD1 4.36Å; I481-L545 HydrophobicContact CD1-CD1 4.07Å; L545-A548 PolarHBondContact O-N 2.9Å; L545-E549 WeakPolarHBondContact O-CG 3.48Å; L545-E549 PolarHBondContact O-N 2.99Å
546E65.2Low58.8Low157 Ų15781.9 Ų81.973%0.73447%0.468SS*.Hα-helixtrans-68.7-36.8178.7-62.9176.6-176.500112.3T544 E549 S550T544-E546 VanDerWaalsContact C-N 3.32Å; T544-E546 PolarHBondContact O-N 3.15Å; E546-E549 PolarHBondContact O-N 3.17Å; E546-S550 WeakPolarHBondContact O-CB 3.43Å; E546-S550 PolarHBondContact O-N 3.02Å; E546-S550 PolarHBondContact O-OG 2.92Å
547E65.8Low57.2Low84 Ų8490.5 Ų90.539%0.39351%0.505SS..Hα-helixtrans-64.2-42.6171.3-77.2169.7-175.200111.5P542 T543 T544 E549 S550 L551P542-E547 HydrophobicContact CB-CB 4Å; T543-E547 PolarHBondContact N-OE2 2.75Å; T543-E547 PolarHBondContact OG1-OE2 2.85Å; T544-E547 PolarHBondContact N-OE2 2.78Å; T544-E547 PolarHBondContact O-N 3.15Å; T544-E547 WeakPolarHBondContact OG1-CB 3.13Å; T544-E547 VanDerWaalsContact OG1-CG 3.25Å; T544-E547 WeakPolarHBondContact OG1-CG 3.2Å; T544-E547 PolarHBondContact OG1-N 3.3Å; E547-E549 VanDerWaalsContact C-N 3.34Å; E547-E549 PolarHBondContact O-N 3.28Å; E547-S550 WeakPolarHBondContact CA-OG 3.48Å; E547-S550 PolarHBondContact O-N 2.82Å; E547-S550 PolarHBondContact O-OG 3.25Å; E547-S550 VanDerWaalsContact O-OG 3.08Å; E547-L551 PolarHBondContact O-N 2.87Å; E547-L551 VanDerWaalsContact O-N 3.13Å
548A64.9Low56Low0 Ų097.1 Ų97.10%053%0.531CS..Hα-helixtrans-63.7-39.6175.700000111.6M363 R366 P478 P542 T544 L545 L551M363-A548 HydrophobicContact CE-CB 4.38Å; R366-A548 PolarHBondContact NH1-O 3.3Å; P478-A548 HydrophobicContact CB-CB 4.41Å; P478-A548 HydrophobicContact CG-CB 4.07Å; P542-A548 HydrophobicContact CB-CB 3.96Å; P542-A548 HydrophobicContact CG-CB 4.17Å; T544-A548 PolarHBondContact O-N 2.83Å; T544-A548 VanDerWaalsContact O-N 3.17Å; L545-A548 PolarHBondContact O-N 2.9Å; A548-L551 WeakPolarHBondContact O-CB 3.38Å; A548-L551 PolarHBondContact O-N 3.01Å
549E69.3Low54.8Low56 Ų5699.6 Ų99.626%0.26253%0.525SS..Hα-helixtrans-69.9-31.4178.7-77.8-175.3-179.900114.6S360 R362 M363 L545 E546 E547S360-E549 WeakPolarHBondContact CB-OE1 3.36Å; S360-E549 PolarHBondContact OG-OE1 3.47Å; R362-E549 PolarHBondContact NH1-O 2.75Å; M363-E549 HydrophobicContact CG-CG 3.56Å; M363-E549 HydrophobicContact SD-CG 3.92Å; L545-E549 WeakPolarHBondContact O-CG 3.48Å; L545-E549 PolarHBondContact O-N 2.99Å; E546-E549 PolarHBondContact O-N 3.17Å; E547-E549 VanDerWaalsContact C-N 3.34Å; E547-E549 PolarHBondContact O-N 3.28Å
550S64.7Low53.3Low66 Ų6698.9 Ų98.946%0.46253%0.534SS..Hα-helixtrans-83-15.5178.154.60000113.4E546 E547 G552 S553E546-S550 WeakPolarHBondContact O-CB 3.43Å; E546-S550 PolarHBondContact O-N 3.02Å; E546-S550 PolarHBondContact O-OG 2.92Å; E547-S550 WeakPolarHBondContact CA-OG 3.48Å; E547-S550 PolarHBondContact O-N 2.82Å; E547-S550 PolarHBondContact O-OG 3.25Å; E547-S550 VanDerWaalsContact O-OG 3.08Å; S550-G552 PolarHBondContact O-N 2.73Å; S550-S553 WeakPolarHBondContact O-CB 3.36Å; S550-S553 PolarHBondContact O-N 3.04Å
551L64.9Low51.8Low24 Ų2499.5 Ų99.513%0.12654%0.541CS..THydrogen-bonded Turntrans-52.4119.7174.6-136.394.2000110.8R366 P534 T536 E547 A548R366-L551 PolarHBondContact NH2-O 3.28Å; P534-L551 HydrophobicContact CG-CB 4.5Å; P534-L551 HydrophobicContact CG-CD2 4.13Å; T536-L551 HydrophobicContact CG2-CD2 4.24Å; E547-L551 PolarHBondContact O-N 2.87Å; E547-L551 VanDerWaalsContact O-N 3.13Å; A548-L551 WeakPolarHBondContact O-CB 3.38Å; A548-L551 PolarHBondContact O-N 3.01Å
552G56.8Low50.3Low69 Ų69101.2 Ų101.271%0.71156%0.558SS**THydrogen-bonded Turntrans81.72.2-177.500000116.5S550S550-G552 PolarHBondContact O-N 2.73Å
553S56.2Low48.6Very low68 Ų68104.3 Ų104.348%0.47659%0.59SS.*  trans-82.6117.7165.6-171.80000108.7S550S550-S553 WeakPolarHBondContact O-CB 3.36Å; S550-S553 PolarHBondContact O-N 3.04Å
554N38.6Very low46.8Very low146 Ų146108.6 Ų108.678%0.78161%0.61SS**  trans-50.9135.6170.1-106.4-19.5000109.3R556N554-R556 PolarHBondContact O-N 2.93Å
555P38.7Very low44.8Very low120 Ų120115 Ų11578%0.77963%0.633SS**  trans-61.9105.2174.823.7-29.8000107.6K557P555-K557 PolarHBondContact O-N 2.99Å
556R31.8Very low43.2Very low241 Ų241119.6 Ų119.691%0.90966%0.658SS**  trans-56.8116166.2-120.6178.4-179.8-177.3-0.4105.2N554 K558N554-R556 PolarHBondContact O-N 2.93Å; R556-K558 PolarHBondContact O-N 3.44Å
557K31.9Very low41.5Very low188 Ų188117.1 Ų117.182%0.81766%0.664SS**  trans-32107.9170.4-83177.2173.6177.80108.7P555 N559P555-K557 PolarHBondContact O-N 2.99Å; K557-N559 PolarHBondContact O-N 3.14Å
558K29.5Very low39.6Very low210 Ų210116.7 Ų116.791%0.91368%0.683SS**  trans-68.293.3165.5-142.5177.4-172.4179.20103.6R556 S560R556-K558 PolarHBondContact O-N 3.44Å; K558-S560 PolarHBondContact O-N 2.88Å
559N27.8Very low37.8Very low133 Ų133125 Ų12571%0.71173%0.727SS**  trans-53.7116.6170.7-82.4-11.8000106.4K557 S561K557-N559 PolarHBondContact O-N 3.14Å; N559-S561 PolarHBondContact O-N 2.77Å; N559-S561 VanDerWaalsContact O-N 3.16Å
560S29.2Very low35.7Very low109 Ų109125.3 Ų125.376%0.76275%0.745SS**  trans-39.6116.2165.447.30000110.1K558 P562K558-S560 PolarHBondContact O-N 2.88Å; S560-P562 WeakPolarHBondContact O-CD 3.31Å
561S27.2Very low33.9Very low117 Ų117130.2 Ų130.282%0.81876%0.762SS**  trans-85.2117.5158.1-32.60000106.5N559N559-S561 PolarHBondContact O-N 2.77Å; N559-S561 VanDerWaalsContact O-N 3.16Å
562P32.2Very low32.2Very low129 Ų129136.2 Ų136.284%0.83879%0.79SS**  trans-84.8126.8172.331.5-26.5000108.7S560S560-P562 WeakPolarHBondContact O-CD 3.31Å
563G27.1Very low30.8Very low69 Ų69139.5 Ų139.571%0.71179%0.79SS**  trans172.666.5176.700000114.9
564N25.5Very low29.4Very low163 Ų163142.8 Ų142.887%0.87280%0.803SS**  -170.7104.2125.2-111.52.3000109.6
565K29.7Very low29Very low196 Ų196145.1 Ų145.185%0.85281%0.809SS**  trans-80.1123.8149.7-77.6179.8173.2179.50105.5
566D30.3Very low28.5Very low167 Ų167147 Ų14789%0.89381%0.807SS**  trans-156.4151.3134.1-97.6-26.4000110.5
567A29Very low28.4Very low105 Ų105143.7 Ų143.787%0.86880%0.802SS**  trans-74.7160.2-155.700000115.1
568G26Very low28.2Very low75 Ų75138.8 Ų138.877%0.77380%0.797SS**  trans164.861.3167.300000116.2
569D27.6Very low28.2Very low175 Ų175138.6 Ų138.694%0.93680%0.796SS**  trans62.1134.7135.4-135.44.4000122.7
570G25.7Very low28.5Very low61 Ų61140.9 Ų140.963%0.62983%0.833SS**  trans98.694.2133.700000121.3
571M26.5Very low28.5Very low169 Ų169142.5 Ų142.583%0.83384%0.837SS**  trans81.5118.7130.9-87.1-177.5137.400123.6
572E28.4Very low28.6Very low150 Ų150143.8 Ų143.870%0.70184%0.838SS**  10292.7129.9-71.6-169.5143.800121.8
573L28.9Very low28.4Very low139 Ų139144.7 Ų144.773%0.72884%0.838SS**  56.5119.1111.6-97.497.4000121.7
574N26.8Very low28.5Very low137 Ų137149.1 Ų149.173%0.73385%0.845SS**  60.2116.7129-70.3-5.7000120.3
575Q28.7Very low28.6Very low195 Ų195148.3 Ų148.391%0.91184%0.843SS**  -168.7120.995.3-106.9173-12.400112
576H29.7Very low28.6Very low160 Ų160145.1 Ų145.174%0.74184%0.843SS**  trans-80.2150.2160.1-111.9-108.2000109.6
577E29.1Very low28.5Very low170 Ų170143.5 Ų143.579%0.79484%0.839SS**  trans68.4120.9145.7-70.5167.2-165.200119.8
578A28.7Very low28.4Very low86 Ų86146.5 Ų146.571%0.71184%0.837SS**  170.8137.581.400000113
579K29.3Very low28.6Very low206 Ų206152.4 Ų152.490%0.89684%0.842SS**  trans53114.4142.4-66.7177.7176.1177.40120.5
580A34.1Very low28.7Very low181 Ų181150.4 Ų150.4100%1.49683%0.834SS**  -165.10104.200000110

Retrieved 580 of 580 residues in 1012.4 ms (Link to these results)

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