A0A087WR36_MOUSE Loading...

Vomeronasal type-1 receptor

AlphaFold DB , UniProt , Accession A0A087WR36, Species MOUSE (Mus musculus, Mouse), Gene Vmn1r90, Length 309 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
1M54Low69.4Low187 Ų187101.5 Ų101.592%0.92156%0.561SS**  0-50.70-88.6174.4125.600113.1Q4 N5M1-Q4 PolarHBondContact O-N 3.24Å; M1-N5 PolarHBondContact O-N 3.4Å; M1-N5 VanDerWaalsContact O-N 3.12Å
2S68.7Low70.8Confident96 Ų9699.2 Ų99.267%0.67154%0.543SS*.Hα-helixtrans-61.8-45.8179.755.30000113.7Q4 N5 E6S2-Q4 VanDerWaalsContact C-N 3.34Å; S2-Q4 PolarHBondContact O-N 2.91Å; S2-N5 PolarHBondContact O-N 3.42Å; S2-E6 WeakPolarHBondContact O-CG 3.49Å; S2-E6 PolarHBondContact O-N 3.36Å
3S66.2Low71.8Confident88 Ų8894.9 Ų94.962%0.61552%0.517SS*.Hα-helixtrans-62.5-37.8179.157.10000113.5A7S3-A7 WeakPolarHBondContact O-CB 3.41Å; S3-A7 PolarHBondContact O-N 2.9Å
4Q63.6Low72.9Confident140 Ų14093.6 Ų93.665%0.65451%0.513SS*.Hα-helixtrans-68.3-41.9176.4-76.6176.5-37.300111.9M1 S2 A7 M8M1-Q4 PolarHBondContact O-N 3.24Å; S2-Q4 VanDerWaalsContact C-N 3.34Å; S2-Q4 PolarHBondContact O-N 2.91Å; Q4-A7 PolarHBondContact O-N 2.8Å; Q4-M8 WeakPolarHBondContact O-CB 3.02Å; Q4-M8 PolarHBondContact O-N 3.01Å
5N64.8Low74.1Confident88 Ų8890.7 Ų90.747%0.47151%0.507SS..Hα-helixtrans-64.5-41176.8-81.21.4000112.2M1 S2 M8 K9M1-N5 PolarHBondContact O-N 3.4Å; M1-N5 VanDerWaalsContact O-N 3.12Å; S2-N5 PolarHBondContact O-N 3.42Å; N5-M8 PolarHBondContact O-N 3.43Å; N5-K9 WeakPolarHBondContact O-CG 2.84Å; N5-K9 PolarHBondContact O-N 3.35Å; N5-K9 VanDerWaalsContact O-N 3.07Å
6E67.5Low75Confident111 Ų11187.2 Ų87.252%0.51949%0.486SS..Hα-helixtrans-68.6-41.6177.1-67.1-59122.800111.7S2 M8 K9 T10S2-E6 WeakPolarHBondContact O-CG 3.49Å; S2-E6 PolarHBondContact O-N 3.36Å; E6-M8 VanDerWaalsContact C-N 3.35Å; E6-M8 PolarHBondContact O-N 3.01Å; E6-K9 PolarHBondContact O-N 3.4Å; E6-K9 IonicContact OE1-NZ 3.41Å; E6-K9 PolarHBondContact OE1-NZ 3.25Å; E6-T10 WeakPolarHBondContact O-CG2 3.25Å; E6-T10 PolarHBondContact O-N 2.93Å; E6-T10 VanDerWaalsContact O-N 3.12Å; E6-T10 PolarHBondContact O-OG1 2.82Å
7A71.1Confident75.8Confident53 Ų5387.8 Ų87.844%0.43848%0.484SS..Hα-helixtrans-63.5-38.5174.500000112.6S3 Q4 T10 T11S3-A7 WeakPolarHBondContact O-CB 3.41Å; S3-A7 PolarHBondContact O-N 2.9Å; Q4-A7 PolarHBondContact O-N 2.8Å; A7-T10 PolarHBondContact O-N 3.4Å; A7-T10 PolarHBondContact O-OG1 3.36Å; A7-T11 WeakPolarHBondContact O-CG2 3.33Å; A7-T11 PolarHBondContact O-N 3.26Å; A7-T11 VanDerWaalsContact O-N 3.09Å; A7-T11 PolarHBondContact O-OG1 3.43Å
8M71.8Confident76.7Confident101 Ų10188.4 Ų88.450%0.49849%0.486SS..Hα-helixtrans-65.9-47.3177.6-169.417277.700111.4Q4 N5 E6 T10 T11 E12Q4-M8 WeakPolarHBondContact O-CB 3.02Å; Q4-M8 PolarHBondContact O-N 3.01Å; N5-M8 PolarHBondContact O-N 3.43Å; E6-M8 VanDerWaalsContact C-N 3.35Å; E6-M8 PolarHBondContact O-N 3.01Å; M8-T10 VanDerWaalsContact C-N 3.3Å; M8-T10 PolarHBondContact O-N 3.45Å; M8-T11 WeakPolarHBondContact CA-OG1 3.36Å; M8-T11 PolarHBondContact O-N 3.27Å; M8-T11 VanDerWaalsContact O-N 3.14Å; M8-T11 PolarHBondContact O-OG1 2.96Å; M8-E12 PolarHBondContact O-N 3.34Å
9K71.8Confident77.6Confident91 Ų9187.2 Ų87.240%0.39648%0.481SS..Hα-helixtrans-56.3-43.5176-74.1174.8-175.4171.80112.2N5 E6 E12 E13N5-K9 WeakPolarHBondContact O-CG 2.84Å; N5-K9 PolarHBondContact O-N 3.35Å; N5-K9 VanDerWaalsContact O-N 3.07Å; E6-K9 PolarHBondContact O-N 3.4Å; E6-K9 IonicContact OE1-NZ 3.41Å; E6-K9 PolarHBondContact OE1-NZ 3.25Å; K9-E12 PolarHBondContact O-N 2.99Å; K9-E13 VanDerWaalsContact O-CG 3.29Å; K9-E13 WeakPolarHBondContact O-CG 3.32Å; K9-E13 PolarHBondContact O-N 2.94Å
10T78.9Confident78.3Confident72 Ų7283.5 Ų83.544%0.44246%0.46SS..Hα-helixtrans-66.7-37.8178.457.50000112.2E6 A7 M8 E13 V14E6-T10 WeakPolarHBondContact O-CG2 3.25Å; E6-T10 PolarHBondContact O-N 2.93Å; E6-T10 VanDerWaalsContact O-N 3.12Å; E6-T10 PolarHBondContact O-OG1 2.82Å; A7-T10 PolarHBondContact O-N 3.4Å; A7-T10 PolarHBondContact O-OG1 3.36Å; M8-T10 VanDerWaalsContact C-N 3.3Å; M8-T10 PolarHBondContact O-N 3.45Å; T10-E13 PolarHBondContact O-N 2.94Å; T10-V14 VanDerWaalsContact O-CG2 3.26Å; T10-V14 WeakPolarHBondContact O-CG2 3.42Å; T10-V14 PolarHBondContact O-N 2.81Å
11T84.9Confident79Confident89 Ų8984.4 Ų84.455%0.54646%0.464SS..Hα-helixtrans-64.4-39.717556.10000113A7 M8 V14 A15A7-T11 WeakPolarHBondContact O-CG2 3.33Å; A7-T11 PolarHBondContact O-N 3.26Å; A7-T11 VanDerWaalsContact O-N 3.09Å; A7-T11 PolarHBondContact O-OG1 3.43Å; M8-T11 WeakPolarHBondContact CA-OG1 3.36Å; M8-T11 PolarHBondContact O-N 3.27Å; M8-T11 VanDerWaalsContact O-N 3.14Å; M8-T11 PolarHBondContact O-OG1 2.96Å; T11-V14 PolarHBondContact O-N 2.66Å; T11-A15 WeakPolarHBondContact O-CB 3.3Å; T11-A15 PolarHBondContact O-N 3.43Å
12E86.2Confident80.9Confident74 Ų7478.8 Ų78.835%0.34644%0.442SS..Hα-helixtrans-66.3-42.8176.2-68.8179.4-17700111.9M8 K9 V14 A15 L16 W269M8-E12 PolarHBondContact O-N 3.34Å; K9-E12 PolarHBondContact O-N 2.99Å; E12-V14 PolarHBondContact O-N 3.07Å; E12-A15 PolarHBondContact O-N 3.03Å; E12-L16 WeakPolarHBondContact O-CG 3.49Å; E12-L16 PolarHBondContact O-N 3.11Å; E12-W269 PolarHBondContact OE2-NE1 3.45Å
13E84.4Confident82.2Confident44 Ų4475.7 Ų75.721%0.20642%0.417CS..Hα-helixtrans-60.4-44.6175.5-72.5175.2172.700111.5K9 T10 L16 Q17 L268K9-E13 VanDerWaalsContact O-CG 3.29Å; K9-E13 WeakPolarHBondContact O-CG 3.32Å; K9-E13 PolarHBondContact O-N 2.94Å; T10-E13 PolarHBondContact O-N 2.94Å; E13-L16 PolarHBondContact O-N 2.81Å; E13-Q17 WeakPolarHBondContact O-CG 3.43Å; E13-Q17 PolarHBondContact O-N 3.18Å; E13-L268 WeakPolarHBondContact OE1-CB 3.42Å
14V86.6Confident83.6Confident76 Ų7673 Ų7346%0.46139%0.394SS..Hα-helixtrans-63.6-42.6175.8171.40000111.1T10 T11 E12 L16 Q17 I18T10-V14 VanDerWaalsContact O-CG2 3.26Å; T10-V14 WeakPolarHBondContact O-CG2 3.42Å; T10-V14 PolarHBondContact O-N 2.81Å; T11-V14 PolarHBondContact O-N 2.66Å; E12-V14 PolarHBondContact O-N 3.07Å; V14-L16 PolarHBondContact O-N 3.24Å; V14-Q17 PolarHBondContact O-N 3.39Å; V14-I18 HydrophobicContact CG1-CD1 3.93Å; V14-I18 HydrophobicContact CG1-CG1 4.5Å; V14-I18 WeakPolarHBondContact O-CG1 3.49Å; V14-I18 PolarHBondContact O-N 3.02Å
15A90.8Very high85.1Confident51 Ų5168.2 Ų68.242%0.42138%0.383SS..Hα-helixtrans-61.2-44.5177.200000111.9T11 E12 Q17 I18 V19T11-A15 WeakPolarHBondContact O-CB 3.3Å; T11-A15 PolarHBondContact O-N 3.43Å; E12-A15 PolarHBondContact O-N 3.03Å; A15-Q17 VanDerWaalsContact C-N 3.33Å; A15-Q17 PolarHBondContact O-N 3.14Å; A15-I18 PolarHBondContact O-N 3.3Å; A15-V19 WeakPolarHBondContact O-CG2 3.38Å; A15-V19 PolarHBondContact O-N 3.48Å
16L89.4Confident86.6Confident34 Ų3468.6 Ų68.618%0.17838%0.384CS..Hα-helixtrans-62.4-39.4176.2-71.6170.6000112E12 E13 V14 V19 L20 W269 H272 V273 V276E12-L16 WeakPolarHBondContact O-CG 3.49Å; E12-L16 PolarHBondContact O-N 3.11Å; E13-L16 PolarHBondContact O-N 2.81Å; V14-L16 PolarHBondContact O-N 3.24Å; L16-V19 PolarHBondContact O-N 3.24Å; L16-L20 WeakPolarHBondContact O-CB 3.43Å; L16-L20 PolarHBondContact O-N 3.12Å; L16-W269 HydrophobicContact CD1-CG 4.39Å; L16-H272 HydrophobicContact CB-CB 3.99Å; L16-H272 HydrophobicContact CD1-CB 3.82Å; L16-V273 HydrophobicContact CD1-CG2 3.75Å; L16-V273 HydrophobicContact CD2-CG2 4.21Å; L16-V276 HydrophobicContact CD2-CG2 4.32Å
17Q88.7Confident88Confident97 Ų9763.3 Ų63.345%0.45336%0.36SS..Hα-helixtrans-64.8-40.4175.2-73.2178.73.400112.5E13 V14 A15 L20 L21 H272E13-Q17 WeakPolarHBondContact O-CG 3.43Å; E13-Q17 PolarHBondContact O-N 3.18Å; V14-Q17 PolarHBondContact O-N 3.39Å; A15-Q17 VanDerWaalsContact C-N 3.33Å; A15-Q17 PolarHBondContact O-N 3.14Å; Q17-L20 PolarHBondContact O-N 3.1Å; Q17-L21 PolarHBondContact O-N 3Å; Q17-H272 PolarHBondContact NE2-NE2 3.26Å
18I91.2Very high89.2Confident100 Ų10061.6 Ų61.651%0.51334%0.344SS..Hα-helixtrans-62.3-46.7174.5-67.4165.5000110.1V14 A15 L20 L21 C22V14-I18 HydrophobicContact CG1-CD1 3.93Å; V14-I18 HydrophobicContact CG1-CG1 4.5Å; V14-I18 WeakPolarHBondContact O-CG1 3.49Å; V14-I18 PolarHBondContact O-N 3.02Å; A15-I18 PolarHBondContact O-N 3.3Å; I18-L20 VanDerWaalsContact C-N 3.31Å; I18-L20 PolarHBondContact O-N 3.37Å; I18-L21 PolarHBondContact O-N 2.71Å; I18-C22 PolarHBondContact O-N 3.37Å; I18-C22 PolarHBondContact O-SG 2.96Å; I18-C22 VanDerWaalsContact O-SG 3.34Å
19V93.7Very high90.3Very high65 Ų6562.4 Ų62.439%0.39435%0.348SS..Hα-helixtrans-57.9-45.4176.4170.70000110.8A15 L16 L21 C22 Q23 V276A15-V19 WeakPolarHBondContact O-CG2 3.38Å; A15-V19 PolarHBondContact O-N 3.48Å; L16-V19 PolarHBondContact O-N 3.24Å; V19-L21 PolarHBondContact O-N 2.93Å; V19-C22 PolarHBondContact O-N 3.25Å; V19-Q23 HydrophobicContact CG1-CG 4.45Å; V19-Q23 WeakPolarHBondContact O-CB 3.41Å; V19-Q23 WeakPolarHBondContact O-CG 3.22Å; V19-Q23 PolarHBondContact O-N 2.87Å; V19-V276 HydrophobicContact CG1-CG1 3.98Å; V19-V276 HydrophobicContact CG1-CG2 4.36Å
20L91.7Very high91.5Very high13 Ų1358.3 Ų58.37%0.06833%0.331CS..Hα-helixtrans-60.4-43.6177.6-178.562.5000111.9L16 Q17 I18 Q23 F24 T69 V70 E275 V276 S279L16-L20 WeakPolarHBondContact O-CB 3.43Å; L16-L20 PolarHBondContact O-N 3.12Å; Q17-L20 PolarHBondContact O-N 3.1Å; I18-L20 VanDerWaalsContact C-N 3.31Å; I18-L20 PolarHBondContact O-N 3.37Å; L20-Q23 PolarHBondContact O-N 3.22Å; L20-F24 PolarHBondContact O-N 3.3Å; L20-T69 HydrophobicContact CD1-CG2 3.99Å; L20-V70 HydrophobicContact CD1-CG2 4.09Å; L20-V70 HydrophobicContact CD2-CG2 4.31Å; L20-V70 HydrophobicContact CG-CG2 3.86Å; L20-E275 HydrophobicContact CD2-CB 4.22Å; L20-V276 HydrophobicContact CB-CG2 4.12Å; L20-S279 VanDerWaalsContact CD1-OG 3.24Å; L20-S279 WeakPolarHBondContact CD1-OG 3.4Å
21L92.8Very high92.3Very high102 Ų10254.9 Ų54.953%0.53431%0.31SS..Hα-helixtrans-66.6-40177.8-173.463.8000112.1Q17 I18 V19 F24 G25 V70Q17-L21 PolarHBondContact O-N 3Å; I18-L21 PolarHBondContact O-N 2.71Å; V19-L21 PolarHBondContact O-N 2.93Å; L21-F24 HydrophobicContact CD1-CD1 4.46Å; L21-F24 WeakPolarHBondContact O-CB 3.33Å; L21-F24 PolarHBondContact O-N 3.44Å; L21-G25 PolarHBondContact O-N 2.9Å; L21-V70 HydrophobicContact CD1-CG1 4.47Å
22C95Very high92.8Very high69 Ų6954 Ų5447%0.46630%0.301SS..Hα-helixtrans-61.4-45172.5-70.40000111.3I18 V19 F24 G25 I26I18-C22 PolarHBondContact O-N 3.37Å; I18-C22 PolarHBondContact O-SG 2.96Å; I18-C22 VanDerWaalsContact O-SG 3.34Å; V19-C22 PolarHBondContact O-N 3.25Å; C22-F24 VanDerWaalsContact C-N 3.3Å; C22-F24 PolarHBondContact O-N 3.43Å; C22-G25 PolarHBondContact O-N 3.44Å; C22-I26 WeakPolarHBondContact O-CB 3.46Å; C22-I26 VanDerWaalsContact O-CG1 3.3Å; C22-I26 WeakPolarHBondContact O-CG1 3.47Å; C22-I26 PolarHBondContact O-N 3.48Å
23Q95.7Very high93.2Very high31 Ų3154.9 Ų54.915%0.14531%0.308CS..Hα-helixtrans-61.7-38.4176.1-75.8-174.6-6.600112.1V19 L20 G27 V276 S279 S280 T283V19-Q23 HydrophobicContact CG1-CG 4.45Å; V19-Q23 WeakPolarHBondContact O-CB 3.41Å; V19-Q23 WeakPolarHBondContact O-CG 3.22Å; V19-Q23 PolarHBondContact O-N 2.87Å; L20-Q23 PolarHBondContact O-N 3.22Å; Q23-G27 VanDerWaalsContact O-CA 3.32Å; Q23-G27 WeakPolarHBondContact O-CA 3.41Å; Q23-G27 PolarHBondContact O-N 3.38Å; Q23-V276 PolarHBondContact OE1-O 3.32Å; Q23-V276 VanDerWaalsContact OE1-O 3.13Å; Q23-S279 PolarHBondContact OE1-OG 2.9Å; Q23-S280 PolarHBondContact NE2-OG 3.03Å; Q23-T283 HydrophobicContact CB-CG2 4.46Å; Q23-T283 PolarHBondContact O-OG1 3.35Å
24F94.9Very high93.6Very high31 Ų3152.9 Ų52.914%0.13630%0.298CS..Hα-helixtrans-62.4-49.6173.9171.4-94.6000112L20 L21 C22 T28 L66 F67 V70 F71L20-F24 PolarHBondContact O-N 3.3Å; L21-F24 HydrophobicContact CD1-CD1 4.46Å; L21-F24 WeakPolarHBondContact O-CB 3.33Å; L21-F24 PolarHBondContact O-N 3.44Å; C22-F24 VanDerWaalsContact C-N 3.3Å; C22-F24 PolarHBondContact O-N 3.43Å; F24-T28 WeakPolarHBondContact O-CB 3.2Å; F24-T28 PolarHBondContact O-N 2.96Å; F24-T28 PolarHBondContact O-OG1 3.32Å; F24-L66 HydrophobicContact CD2-CB 4.04Å; F24-F67 HydrophobicContact CE2-CD1 4.2Å; F24-F67 HydrophobicContact CE2-CD2 4Å; F24-F67 HydrophobicContact CE2-CE1 4.27Å; F24-F67 HydrophobicContact CE2-CE2 4.08Å; F24-F67 HydrophobicContact CE2-CG 4.08Å; F24-F67 HydrophobicContact CE2-CZ 4.21Å; F24-F67 HydrophobicContact CZ-CD1 4.39Å; F24-F67 HydrophobicContact CZ-CE1 4.03Å; F24-F67 HydrophobicContact CZ-CE2 4.15Å; F24-F67 AromaticContact CZ-CZ 3.9Å; F24-F67 HydrophobicContact CZ-CZ 3.9Å; F24-V70 HydrophobicContact CB-CB 4.49Å; F24-V70 HydrophobicContact CB-CG2 3.58Å; F24-V70 HydrophobicContact CD2-CB 4.1Å; F24-V70 HydrophobicContact CD2-CG2 3.84Å; F24-V70 HydrophobicContact CG-CB 4.36Å; F24-V70 HydrophobicContact CG-CG1 4.41Å; F24-V70 HydrophobicContact CG-CG2 3.92Å; F24-F71 HydrophobicContact CD2-CE2 4.49Å; F24-F71 AromaticContact CE1-CE2 3.96Å; F24-F71 HydrophobicContact CE1-CE2 3.96Å; F24-F71 HydrophobicContact CE1-CZ 4.49Å; F24-F71 HydrophobicContact CE2-CD2 4.38Å; F24-F71 AromaticContact CE2-CE2 3.94Å; F24-F71 HydrophobicContact CE2-CE2 3.94Å; F24-F71 HydrophobicContact CZ-CD2 4.47Å; F24-F71 AromaticContact CZ-CE2 3.66Å; F24-F71 HydrophobicContact CZ-CE2 3.66Å
25G95.3Very high94Very high41 Ų4152.4 Ų52.442%0.42329%0.29SS..Hα-helixtrans-61-52.1179.500000112.1L21 C22 M29L21-G25 PolarHBondContact O-N 2.9Å; C22-G25 PolarHBondContact O-N 3.44Å; G25-M29 WeakPolarHBondContact O-CB 3.23Å; G25-M29 PolarHBondContact O-N 2.96Å; G25-M29 VanDerWaalsContact O-N 3.09Å
26I96.4Very high94.1Very high96 Ų9654.8 Ų54.849%0.49230%0.295SS..Hα-helixtrans-64.1-47.3-179.8-63.5166.8000110.5C22 M29 A30 T283 L287C22-I26 WeakPolarHBondContact O-CB 3.46Å; C22-I26 VanDerWaalsContact O-CG1 3.3Å; C22-I26 WeakPolarHBondContact O-CG1 3.47Å; C22-I26 PolarHBondContact O-N 3.48Å; I26-M29 PolarHBondContact O-N 3.26Å; I26-A30 VanDerWaalsContact O-CB 3.27Å; I26-A30 WeakPolarHBondContact O-CB 3.46Å; I26-A30 PolarHBondContact O-N 3.05Å; I26-T283 HydrophobicContact CB-CG2 4.27Å; I26-T283 HydrophobicContact CG2-CG2 4.06Å; I26-L287 HydrophobicContact CG2-CD1 4.17Å
27G96.4Very high94.1Very high0 Ų055.4 Ų55.40%030%0.297CS..Hα-helixtrans-66.6-43.5-176.700000112.3Q23 A30 N31Q23-G27 VanDerWaalsContact O-CA 3.32Å; Q23-G27 WeakPolarHBondContact O-CA 3.41Å; Q23-G27 PolarHBondContact O-N 3.38Å; G27-A30 PolarHBondContact O-N 2.9Å; G27-N31 WeakPolarHBondContact O-CB 3.33Å; G27-N31 PolarHBondContact O-N 2.83Å; G27-N31 PolarHBondContact O-ND2 3.23Å
28T95.8Very high94.1Very high17 Ų1751.1 Ų51.110%0.10428%0.277CS..Hα-helixtrans-64-46.8177.7-58.30000110.3F24 A30 N31 I32 F67F24-T28 WeakPolarHBondContact O-CB 3.2Å; F24-T28 PolarHBondContact O-N 2.96Å; F24-T28 PolarHBondContact O-OG1 3.32Å; T28-A30 PolarHBondContact O-N 3.41Å; T28-N31 PolarHBondContact O-N 3.04Å; T28-I32 HydrophobicContact CG2-CD1 3.79Å; T28-I32 HydrophobicContact CG2-CG1 4.44Å; T28-I32 WeakPolarHBondContact O-CB 3.4Å; T28-I32 VanDerWaalsContact O-CG1 3.24Å; T28-I32 WeakPolarHBondContact O-CG1 3.49Å; T28-I32 PolarHBondContact O-N 2.84Å; T28-F67 HydrophobicContact CG2-CE2 4.26Å
29M96.4Very high93.9Very high117 Ų11749.6 Ų49.658%0.57627%0.267SS*.Hα-helixtrans-58.6-48.8176.3-173.863.773.200111.6G25 I26 N31 I32 L33G25-M29 WeakPolarHBondContact O-CB 3.23Å; G25-M29 PolarHBondContact O-N 2.96Å; G25-M29 VanDerWaalsContact O-N 3.09Å; I26-M29 PolarHBondContact O-N 3.26Å; M29-N31 PolarHBondContact O-N 3.17Å; M29-I32 PolarHBondContact O-N 3.43Å; M29-L33 HydrophobicContact CG-CD1 4.33Å; M29-L33 WeakPolarHBondContact O-CG 3.49Å; M29-L33 PolarHBondContact O-N 2.95Å
30A95.9Very high93.5Very high5 Ų548.9 Ų48.94%0.04126%0.264CS..Hα-helixtrans-63-41.5-179.800000112.5I26 G27 T28 L33 L34 P286 L287 I290I26-A30 VanDerWaalsContact O-CB 3.27Å; I26-A30 WeakPolarHBondContact O-CB 3.46Å; I26-A30 PolarHBondContact O-N 3.05Å; G27-A30 PolarHBondContact O-N 2.9Å; T28-A30 PolarHBondContact O-N 3.41Å; A30-L33 PolarHBondContact O-N 3Å; A30-L34 WeakPolarHBondContact O-CB 3.33Å; A30-L34 PolarHBondContact O-N 2.98Å; A30-P286 HydrophobicContact CB-CB 3.91Å; A30-P286 HydrophobicContact CB-CG 3.54Å; A30-L287 HydrophobicContact CB-CD2 3.61Å; A30-L287 HydrophobicContact CB-CG 4.13Å; A30-I290 WeakPolarHBondContact O-CD1 3.25Å
31N96.7Very high93.1Very high0 Ų049.5 Ų49.50%027%0.269CS..Hα-helixtrans-69.7-34.8177.1-76.6-71.6000112.5G27 T28 M29 L34 F35 A59 S62 I63 P282G27-N31 WeakPolarHBondContact O-CB 3.33Å; G27-N31 PolarHBondContact O-N 2.83Å; G27-N31 PolarHBondContact O-ND2 3.23Å; T28-N31 PolarHBondContact O-N 3.04Å; M29-N31 PolarHBondContact O-N 3.17Å; N31-L34 PolarHBondContact O-N 3.25Å; N31-F35 WeakPolarHBondContact O-CB 3.31Å; N31-F35 PolarHBondContact O-N 3.42Å; N31-A59 HydrophobicContact CB-CB 4.3Å; N31-S62 VanDerWaalsContact OD1-CB 3.26Å; N31-S62 WeakPolarHBondContact OD1-CB 3.48Å; N31-I63 HydrophobicContact CB-CD1 3.89Å; N31-I63 HydrophobicContact CB-CG1 3.59Å; N31-P282 PolarHBondContact ND2-O 3.34Å
32I95.9Very high92.5Very high72 Ų7248.4 Ų48.437%0.36926%0.264SS..Hα-helixtrans-63.3-45.9172.8-70.7167.7000110.3T28 M29 L34 F35 I36 I63T28-I32 HydrophobicContact CG2-CD1 3.79Å; T28-I32 HydrophobicContact CG2-CG1 4.44Å; T28-I32 WeakPolarHBondContact O-CB 3.4Å; T28-I32 VanDerWaalsContact O-CG1 3.24Å; T28-I32 WeakPolarHBondContact O-CG1 3.49Å; T28-I32 PolarHBondContact O-N 2.84Å; M29-I32 PolarHBondContact O-N 3.43Å; I32-L34 VanDerWaalsContact C-N 3.32Å; I32-L34 PolarHBondContact O-N 2.75Å; I32-F35 PolarHBondContact O-N 3.1Å; I32-I36 HydrophobicContact CG2-CD1 3.74Å; I32-I36 HydrophobicContact CG2-CG1 4.39Å; I32-I36 WeakPolarHBondContact O-CG1 3.37Å; I32-I36 PolarHBondContact O-N 3.28Å; I32-I63 HydrophobicContact CG1-CD1 4.09Å
33L94.1Very high91.8Very high91 Ų9151.7 Ų51.748%0.47628%0.276SS..Hα-helixtrans-61.9-40.5175.5-69.2173.6000112M29 A30 H37 I290M29-L33 HydrophobicContact CG-CD1 4.33Å; M29-L33 WeakPolarHBondContact O-CG 3.49Å; M29-L33 PolarHBondContact O-N 2.95Å; A30-L33 PolarHBondContact O-N 3Å; L33-H37 VanDerWaalsContact O-CB 3.32Å; L33-H37 WeakPolarHBondContact O-CB 3.19Å; L33-H37 PolarHBondContact O-N 3.44Å; L33-H37 VanDerWaalsContact O-N 3.1Å; L33-I290 HydrophobicContact CB-CD1 4.22Å
34L93.3Very high91.1Very high3 Ų355.7 Ų55.72%0.01630%0.303CS..Hα-helixtrans-60.7-46.3174-173.570000110.9A30 N31 I32 N38 A59 P286 L289 I290 Y296A30-L34 WeakPolarHBondContact O-CB 3.33Å; A30-L34 PolarHBondContact O-N 2.98Å; N31-L34 PolarHBondContact O-N 3.25Å; I32-L34 VanDerWaalsContact C-N 3.32Å; I32-L34 PolarHBondContact O-N 2.75Å; L34-N38 WeakPolarHBondContact CD1-ND2 3.29Å; L34-N38 WeakPolarHBondContact O-CB 3.28Å; L34-N38 PolarHBondContact O-N 2.78Å; L34-N38 VanDerWaalsContact O-N 3.14Å; L34-N38 PolarHBondContact O-ND2 3Å; L34-A59 HydrophobicContact CD2-CB 4.18Å; L34-P286 HydrophobicContact CB-CB 4.16Å; L34-P286 HydrophobicContact CD2-CB 3.94Å; L34-L289 HydrophobicContact CD1-CB 4.01Å; L34-L289 HydrophobicContact CD1-CD1 4.4Å; L34-L289 HydrophobicContact CD2-CD1 3.96Å; L34-I290 HydrophobicContact CB-CD1 4.25Å; L34-I290 HydrophobicContact CD1-CG1 4.11Å; L34-Y296 WeakPolarHBondContact CA-OH 3.35Å
35F94.1Very high90.3Very high66 Ų6657.6 Ų57.629%0.28933%0.33SS..Hα-helixtrans-61.7-53.8179.6-176.5-90.7000111.6N31 I32 H37 N38 F39 T56 A59 V60N31-F35 WeakPolarHBondContact O-CB 3.31Å; N31-F35 PolarHBondContact O-N 3.42Å; I32-F35 PolarHBondContact O-N 3.1Å; F35-H37 PolarHBondContact O-N 3.49Å; F35-N38 PolarHBondContact O-N 3.3Å; F35-F39 HydrophobicContact CD1-CB 4.43Å; F35-F39 HydrophobicContact CE1-CB 4.19Å; F35-F39 HydrophobicContact CE1-CD1 4.48Å; F35-F39 HydrophobicContact CE1-CG 4.17Å; F35-F39 HydrophobicContact CZ-CB 4.49Å; F35-F39 HydrophobicContact CZ-CD2 4.16Å; F35-F39 HydrophobicContact CZ-CG 4.25Å; F35-F39 WeakPolarHBondContact O-CB 3.36Å; F35-F39 PolarHBondContact O-N 3.02Å; F35-T56 HydrophobicContact CD2-CG2 4.12Å; F35-T56 HydrophobicContact CE2-CG2 4.35Å; F35-A59 HydrophobicContact CB-CB 4.13Å; F35-V60 HydrophobicContact CD2-CG2 4.01Å; F35-V60 HydrophobicContact CE2-CG2 3.84Å
36I92Very high89.4Confident100 Ų10058.9 Ų58.951%0.51333%0.332SS..Hα-helixtrans-59.1-47-177.5-67.8170.4000110.8I32 N38 F39 S40I32-I36 HydrophobicContact CG2-CD1 3.74Å; I32-I36 HydrophobicContact CG2-CG1 4.39Å; I32-I36 WeakPolarHBondContact O-CG1 3.37Å; I32-I36 PolarHBondContact O-N 3.28Å; I36-N38 PolarHBondContact O-N 3.45Å; I36-F39 PolarHBondContact O-N 3.46Å; I36-S40 VanDerWaalsContact O-CB 3.32Å; I36-S40 WeakPolarHBondContact O-CB 3.45Å; I36-S40 PolarHBondContact O-N 3.31Å
37H89.6Confident88.5Confident48 Ų4861.8 Ų61.822%0.22234%0.344CS..Hα-helixtrans-62.8-41.1-179.2176.282.5000112.8L33 F35 S40 Y296L33-H37 VanDerWaalsContact O-CB 3.32Å; L33-H37 WeakPolarHBondContact O-CB 3.19Å; L33-H37 PolarHBondContact O-N 3.44Å; L33-H37 VanDerWaalsContact O-N 3.1Å; F35-H37 PolarHBondContact O-N 3.49Å; H37-S40 PolarHBondContact O-OG 3.04Å; H37-Y296 HydrophobicContact CB-CE1 3.67Å; H37-Y296 HydrophobicContact CB-CE2 4.49Å; H37-Y296 WeakPolarHBondContact CB-OH 3.37Å; H37-Y296 AromaticContact CD2-CE1 3.96Å; H37-Y296 AromaticContact CD2-CE2 3.29Å; H37-Y296 WeakPolarHBondContact CD2-CE2 3.42Å; H37-Y296 AromaticContact CD2-CZ 3.21Å; H37-Y296 PolarHBondContact CD2-OH 3.33Å; H37-Y296 VanDerWaalsContact CD2-OH 3.24Å; H37-Y296 AromaticContact CG-CE1 3.55Å; H37-Y296 AromaticContact CG-CE2 3.8Å; H37-Y296 AromaticContact CG-CZ 3.27Å; H37-Y296 VanDerWaalsContact CG-OH 3.32Å; H37-Y296 AromaticContact ND1-CE1 3.88Å; H37-Y296 AromaticContact ND1-CZ 3.93Å; H37-Y296 AromaticContact NE2-CD2 3.87Å; H37-Y296 AromaticContact NE2-CE2 3.53Å; H37-Y296 AromaticContact NE2-CZ 3.87Å
38N88.5Confident87.7Confident6 Ų663 Ų633%0.03235%0.35CS..Hα-helixtrans-78.6-28.2-179.5-74.2-83.5000112.1L34 F35 I36 P41 L48 Q52 C55 T56L34-N38 WeakPolarHBondContact CD1-ND2 3.29Å; L34-N38 WeakPolarHBondContact O-CB 3.28Å; L34-N38 PolarHBondContact O-N 2.78Å; L34-N38 VanDerWaalsContact O-N 3.14Å; L34-N38 PolarHBondContact O-ND2 3Å; F35-N38 PolarHBondContact O-N 3.3Å; I36-N38 PolarHBondContact O-N 3.45Å; N38-P41 WeakPolarHBondContact O-CD 3.35Å; N38-L48 WeakPolarHBondContact O-CD2 3.23Å; N38-Q52 HydrophobicContact CB-CB 4.03Å; N38-Q52 HydrophobicContact CB-CG 4.33Å; N38-Q52 WeakPolarHBondContact OD1-CG 3.34Å; N38-C55 HydrophobicContact CB-CB 4.37Å; N38-T56 HydrophobicContact CB-CG2 3.65Å
39F88Confident87Confident69 Ų6971 Ų7130%0.30338%0.378SS..Hα-helixtrans-85-25.1-179.8-166.7-99.1000113.6F35 I36 L42 L43 T56F35-F39 HydrophobicContact CD1-CB 4.43Å; F35-F39 HydrophobicContact CE1-CB 4.19Å; F35-F39 HydrophobicContact CE1-CD1 4.48Å; F35-F39 HydrophobicContact CE1-CG 4.17Å; F35-F39 HydrophobicContact CZ-CB 4.49Å; F35-F39 HydrophobicContact CZ-CD2 4.16Å; F35-F39 HydrophobicContact CZ-CG 4.25Å; F35-F39 WeakPolarHBondContact O-CB 3.36Å; F35-F39 PolarHBondContact O-N 3.02Å; I36-F39 PolarHBondContact O-N 3.46Å; F39-L42 HydrophobicContact CD2-CD2 4.38Å; F39-L42 HydrophobicContact CE1-CD2 4.3Å; F39-L42 HydrophobicContact CE2-CD2 3.62Å; F39-L42 HydrophobicContact CZ-CD2 3.58Å; F39-L42 VanDerWaalsContact O-CB 3.32Å; F39-L42 WeakPolarHBondContact O-CB 3.45Å; F39-L42 PolarHBondContact O-N 2.68Å; F39-L43 HydrophobicContact CD1-CG 4.45Å; F39-L43 HydrophobicContact CE1-CD2 4.18Å; F39-L43 HydrophobicContact CE1-CG 4.48Å; F39-T56 HydrophobicContact CB-CG2 4.2Å
40S86.1Confident86.4Confident49 Ų4966.1 Ų66.134%0.34336%0.356SS..Hα-helixtrans-53.6-34.9-175.7690000116I36 H37 L42 L43 T44I36-S40 VanDerWaalsContact O-CB 3.32Å; I36-S40 WeakPolarHBondContact O-CB 3.45Å; I36-S40 PolarHBondContact O-N 3.31Å; H37-S40 PolarHBondContact O-OG 3.04Å; S40-L42 PolarHBondContact O-N 2.88Å; S40-L43 WeakPolarHBondContact O-CB 3.39Å; S40-L43 PolarHBondContact O-N 3.45Å; S40-T44 PolarHBondContact O-N 3.09Å
41P81.9Confident85.8Confident27 Ų2768.6 Ų68.618%0.17537%0.365CS..Hα-helixtrans-62-29.8178.5-22.435.2000112.9N38 L43 T44 G45 C46N38-P41 WeakPolarHBondContact O-CD 3.35Å; P41-L43 VanDerWaalsContact C-N 3.27Å; P41-L43 PolarHBondContact O-N 2.87Å; P41-T44 PolarHBondContact O-N 2.71Å; P41-G45 PolarHBondContact O-N 2.89Å; P41-C46 CarbonylContact C-O 3.6Å; P41-C46 HydrophobicContact CB-CB 3.99Å; P41-C46 WeakPolarHBondContact O-CA 3.22Å; P41-C46 VanDerWaalsContact O-CB 3.3Å; P41-C46 WeakPolarHBondContact O-CB 3.31Å; P41-C46 PolarHBondContact O-N 2.85Å
42L81.5Confident85.5Confident79 Ų7970 Ų7041%0.41437%0.372SS..Hα-helixtrans-64.5-35.2177-171.167000111.5F39 S40 T44 G45 C46 L48F39-L42 HydrophobicContact CD2-CD2 4.38Å; F39-L42 HydrophobicContact CE1-CD2 4.3Å; F39-L42 HydrophobicContact CE2-CD2 3.62Å; F39-L42 HydrophobicContact CZ-CD2 3.58Å; F39-L42 VanDerWaalsContact O-CB 3.32Å; F39-L42 WeakPolarHBondContact O-CB 3.45Å; F39-L42 PolarHBondContact O-N 2.68Å; S40-L42 PolarHBondContact O-N 2.88Å; L42-T44 VanDerWaalsContact C-N 3.26Å; L42-T44 PolarHBondContact O-N 3.4Å; L42-G45 PolarHBondContact O-N 3.44Å; L42-G45 VanDerWaalsContact O-N 3.1Å; L42-C46 WeakPolarHBondContact CA-O 3.43Å; L42-L48 HydrophobicContact CB-CD1 4.1Å; L42-L48 HydrophobicContact CB-CG 4.25Å; L42-L48 HydrophobicContact CD1-CD1 4.24Å; L42-L48 HydrophobicContact CD2-CD1 4.01Å; L42-L48 HydrophobicContact CG-CD1 4.35Å
43L78.7Confident85.2Confident138 Ų13867.5 Ų67.572%0.72336%0.36SS*.Hα-helixtrans-67.8-27.9176.9-59.1175.8000112.1F39 S40 P41 G45F39-L43 HydrophobicContact CD1-CG 4.45Å; F39-L43 HydrophobicContact CE1-CD2 4.18Å; F39-L43 HydrophobicContact CE1-CG 4.48Å; S40-L43 WeakPolarHBondContact O-CB 3.39Å; S40-L43 PolarHBondContact O-N 3.45Å; P41-L43 VanDerWaalsContact C-N 3.27Å; P41-L43 PolarHBondContact O-N 2.87Å; L43-G45 VanDerWaalsContact C-N 3.26Å
44T82.4Confident85Confident115 Ų11563.2 Ų63.271%0.70634%0.338SS*.THydrogen-bonded Turntrans-84.73.2174.5-41.80000112.6S40 P41 L42 C46S40-T44 PolarHBondContact O-N 3.09Å; P41-T44 PolarHBondContact O-N 2.71Å; L42-T44 VanDerWaalsContact C-N 3.26Å; L42-T44 PolarHBondContact O-N 3.4Å; T44-C46 VanDerWaalsContact C-N 3.29Å; T44-C46 PolarHBondContact O-N 3.22Å
45G76.5Confident85Confident70 Ų7063.1 Ų63.172%0.72234%0.337SS*.THydrogen-bonded Turntrans798.3-176.500000114.4P41 L42 L43P41-G45 PolarHBondContact O-N 2.89Å; L42-G45 PolarHBondContact O-N 3.44Å; L42-G45 VanDerWaalsContact O-N 3.1Å; L43-G45 VanDerWaalsContact C-N 3.26Å
46C76.8Confident84.9Confident69 Ų6960.8 Ų60.847%0.46633%0.329SS..PPolyproline II helixtrans-82.9145.7174.3-67.60000110.8P41 L42 T44P41-C46 CarbonylContact C-O 3.6Å; P41-C46 HydrophobicContact CB-CB 3.99Å; P41-C46 WeakPolarHBondContact O-CA 3.22Å; P41-C46 VanDerWaalsContact O-CB 3.3Å; P41-C46 WeakPolarHBondContact O-CB 3.31Å; P41-C46 PolarHBondContact O-N 2.85Å; L42-C46 WeakPolarHBondContact CA-O 3.43Å; T44-C46 VanDerWaalsContact C-N 3.29Å; T44-C46 PolarHBondContact O-N 3.22Å
47Q77Confident85Confident156 Ų15656.8 Ų56.873%0.72931%0.308SS*.PPolyproline II helixtrans-71.8135.9172.3-66.7-17014.300111R49Q47-R49 PolarHBondContact O-N 3.5Å
48L80Confident85.2Confident26 Ų2654.5 Ų54.514%0.13630%0.297CS..PPolyproline II helixtrans-61.7129.6173.5-76.2150.4000110.3N38 L42 Q52 V53 S132N38-L48 WeakPolarHBondContact O-CD2 3.23Å; L42-L48 HydrophobicContact CB-CD1 4.1Å; L42-L48 HydrophobicContact CB-CG 4.25Å; L42-L48 HydrophobicContact CD1-CD1 4.24Å; L42-L48 HydrophobicContact CD2-CD1 4.01Å; L42-L48 HydrophobicContact CG-CD1 4.35Å; L48-Q52 HydrophobicContact CD2-CB 3.85Å; L48-V53 HydrophobicContact CB-CG2 3.66Å; L48-V53 HydrophobicContact CD1-CG2 4.45Å; L48-S132 PolarHBondContact O-OG 3.46Å
49R82.1Confident85.6Confident184 Ų18454.2 Ų54.269%0.69430%0.296SS*.PPolyproline II helixtrans-66.2150.4168.1-66.5-176.3178.9177.20.8109Q47 K51 Q52 V53Q47-R49 PolarHBondContact O-N 3.5Å; R49-K51 VanDerWaalsContact C-N 3.33Å; R49-K51 PolarHBondContact O-N 2.87Å; R49-Q52 HydrophobicContact CB-CG 4.12Å; R49-Q52 WeakPolarHBondContact O-CA 3.21Å; R49-Q52 VanDerWaalsContact O-CB 3.29Å; R49-Q52 WeakPolarHBondContact O-CB 3.44Å; R49-Q52 PolarHBondContact O-N 2.71Å; R49-V53 PolarHBondContact O-N 3Å
50P82.4Confident85.9Confident15 Ų1553.2 Ų53.210%0.09730%0.296CS..Hα-helixtrans-59.7-39.7-176.5-22.129.9000115Q52 V53 I54 Y112 I135P50-Q52 PolarHBondContact O-N 3.2Å; P50-V53 PolarHBondContact O-N 3.48Å; P50-I54 WeakPolarHBondContact O-CG1 3.47Å; P50-I54 PolarHBondContact O-N 3.4Å; P50-I54 VanDerWaalsContact O-N 3.12Å; P50-Y112 HydrophobicContact CB-CE2 3.8Å; P50-Y112 HydrophobicContact CG-CE2 4.2Å; P50-I135 HydrophobicContact CB-CB 3.74Å; P50-I135 HydrophobicContact CB-CD1 3.11Å; P50-I135 HydrophobicContact CB-CG1 3.95Å; P50-I135 HydrophobicContact CB-CG2 3.69Å; P50-I135 HydrophobicContact CG-CD1 3.73Å
51K85.2Confident86.4Confident57 Ų5750.9 Ų50.925%0.24828%0.279CS..Hα-helixtrans-54.4-40.8171.7-174.6-169174.8-162.80111.7R49 I54 C55 L109 Y112 D293R49-K51 VanDerWaalsContact C-N 3.33Å; R49-K51 PolarHBondContact O-N 2.87Å; K51-I54 PolarHBondContact O-N 3.4Å; K51-C55 WeakPolarHBondContact O-CB 3.45Å; K51-C55 PolarHBondContact O-N 3.24Å; K51-C55 PolarHBondContact O-SG 3.13Å; K51-L109 HydrophobicContact CG-CD1 4.27Å; K51-Y112 HydrophobicContact CB-CE1 4.17Å; K51-D293 IonicContact NZ-OD2 3.89Å; K51-D293 PolarHBondContact NZ-OD2 3.36Å
52Q88.6Confident87.1Confident30 Ų3049.6 Ų49.614%0.1427%0.271CS..Hα-helixtrans-66.2-42.1-179.2-65.1172.7-43.300111.3N38 L48 R49 P50 I54 C55 T56N38-Q52 HydrophobicContact CB-CB 4.03Å; N38-Q52 HydrophobicContact CB-CG 4.33Å; N38-Q52 WeakPolarHBondContact OD1-CG 3.34Å; L48-Q52 HydrophobicContact CD2-CB 3.85Å; R49-Q52 HydrophobicContact CB-CG 4.12Å; R49-Q52 WeakPolarHBondContact O-CA 3.21Å; R49-Q52 VanDerWaalsContact O-CB 3.29Å; R49-Q52 WeakPolarHBondContact O-CB 3.44Å; R49-Q52 PolarHBondContact O-N 2.71Å; P50-Q52 PolarHBondContact O-N 3.2Å; Q52-I54 VanDerWaalsContact C-N 3.31Å; Q52-I54 PolarHBondContact O-N 3.14Å; Q52-C55 PolarHBondContact O-N 3.29Å; Q52-T56 WeakPolarHBondContact O-CG2 2.94Å; Q52-T56 PolarHBondContact O-N 3.48Å; Q52-T56 PolarHBondContact O-OG1 2.79Å
53V89.9Confident87.8Confident20 Ų2047.5 Ų47.512%0.12126%0.26CS..Hα-helixtrans-61.7-39.4175.7-176.70000111.6L48 R49 P50 T56 N57 C139L48-V53 HydrophobicContact CB-CG2 3.66Å; L48-V53 HydrophobicContact CD1-CG2 4.45Å; R49-V53 PolarHBondContact O-N 3Å; P50-V53 PolarHBondContact O-N 3.48Å; V53-T56 PolarHBondContact O-OG1 3.04Å; V53-N57 WeakPolarHBondContact O-CB 3.5Å; V53-N57 PolarHBondContact O-N 3Å; V53-N57 VanDerWaalsContact O-N 3.15Å; V53-C139 HydrophobicContact CG1-CB 4.33Å
54I91.3Very high88.5Confident0 Ų043.7 Ų43.70%024%0.24CC..Hα-helixtrans-69.2-43.5177.3-60.1160.1000110.5P50 K51 Q52 N57 M58 S105 V108 L109 Y112 I135P50-I54 WeakPolarHBondContact O-CG1 3.47Å; P50-I54 PolarHBondContact O-N 3.4Å; P50-I54 VanDerWaalsContact O-N 3.12Å; K51-I54 PolarHBondContact O-N 3.4Å; Q52-I54 VanDerWaalsContact C-N 3.31Å; Q52-I54 PolarHBondContact O-N 3.14Å; I54-N57 WeakPolarHBondContact O-CB 3.32Å; I54-N57 PolarHBondContact O-N 3.15Å; I54-M58 WeakPolarHBondContact O-CB 3.4Å; I54-M58 PolarHBondContact O-N 3.34Å; I54-S105 WeakPolarHBondContact CG2-O 3.28Å; I54-V108 HydrophobicContact CD1-CG1 3.78Å; I54-V108 HydrophobicContact CG1-CG1 4.04Å; I54-L109 HydrophobicContact CB-CD1 4.45Å; I54-L109 HydrophobicContact CG2-CB 3.8Å; I54-L109 HydrophobicContact CG2-CD1 4.11Å; I54-L109 HydrophobicContact CG2-CG 4.44Å; I54-Y112 HydrophobicContact CD1-CG 4.28Å; I54-I135 HydrophobicContact CD1-CG2 3.75Å; I54-I135 HydrophobicContact CG1-CG2 3.7Å
55C91.9Very high89.1Confident2 Ų238.4 Ų38.41%0.01421%0.207CC..Hα-helixtrans-63.1-41.6178.1-72.10000112.8N38 K51 Q52 M58 A59N38-C55 HydrophobicContact CB-CB 4.37Å; K51-C55 WeakPolarHBondContact O-CB 3.45Å; K51-C55 PolarHBondContact O-N 3.24Å; K51-C55 PolarHBondContact O-SG 3.13Å; Q52-C55 PolarHBondContact O-N 3.29Å; C55-M58 PolarHBondContact O-N 3.44Å; C55-A59 WeakPolarHBondContact O-CB 3.37Å; C55-A59 PolarHBondContact O-N 2.86Å
56T92.4Very high89.9Confident17 Ų1735.1 Ų35.110%0.10417%0.173CC..Hα-helixtrans-65.6-40.9175.9540000111.1F35 N38 F39 Q52 V53 A59 V60F35-T56 HydrophobicContact CD2-CG2 4.12Å; F35-T56 HydrophobicContact CE2-CG2 4.35Å; N38-T56 HydrophobicContact CB-CG2 3.65Å; F39-T56 HydrophobicContact CB-CG2 4.2Å; Q52-T56 WeakPolarHBondContact O-CG2 2.94Å; Q52-T56 PolarHBondContact O-N 3.48Å; Q52-T56 PolarHBondContact O-OG1 2.79Å; V53-T56 PolarHBondContact O-OG1 3.04Å; T56-A59 PolarHBondContact O-N 3.4Å; T56-V60 WeakPolarHBondContact O-CG2 3.45Å; T56-V60 PolarHBondContact O-N 3.03Å
57N93.7Very high90.7Very high15 Ų1535.8 Ų35.88%0.0817%0.168CC..Hα-helixtrans-61.5-45.3175.7-163.158.9000112.3V53 I54 V60 S61 S105 C139 W143V53-N57 WeakPolarHBondContact O-CB 3.5Å; V53-N57 PolarHBondContact O-N 3Å; V53-N57 VanDerWaalsContact O-N 3.15Å; I54-N57 WeakPolarHBondContact O-CB 3.32Å; I54-N57 PolarHBondContact O-N 3.15Å; N57-V60 PolarHBondContact O-N 2.99Å; N57-S61 PolarHBondContact O-N 2.69Å; N57-S61 PolarHBondContact O-OG 2.83Å; N57-S105 PolarHBondContact ND2-OG 2.81Å; N57-C139 HydrophobicContact CB-CB 4.4Å; N57-W143 PolarHBondContact OD1-NE1 3.1Å
58M94.5Very high91.2Very high0 Ų028.7 Ų28.70%014%0.135CC..Hα-helixtrans-60-46.3175.3-170.4179.7-174.700110.9I54 C55 V60 S61 S62 L242 F281 L289I54-M58 WeakPolarHBondContact O-CB 3.4Å; I54-M58 PolarHBondContact O-N 3.34Å; C55-M58 PolarHBondContact O-N 3.44Å; M58-V60 PolarHBondContact O-N 3.02Å; M58-S61 PolarHBondContact O-N 3.44Å; M58-S61 PolarHBondContact O-OG 2.97Å; M58-S62 WeakPolarHBondContact O-CB 3.44Å; M58-S62 PolarHBondContact O-N 3.04Å; M58-S62 PolarHBondContact O-OG 3.43Å; M58-S62 VanDerWaalsContact O-OG 3.09Å; M58-L242 HydrophobicContact CE-CD1 4.19Å; M58-L242 HydrophobicContact CE-CD2 4.25Å; M58-F281 HydrophobicContact CE-CE1 3.4Å; M58-F281 HydrophobicContact CE-CE2 4.44Å; M58-F281 HydrophobicContact CE-CZ 3.26Å; M58-L289 HydrophobicContact SD-CD1 4.09Å
59A95.8Very high91.7Very high0 Ų027.6 Ų27.60%013%0.129CC..Hα-helixtrans-58.4-45.6177.500000112.5N31 L34 F35 C55 T56 S62 I63N31-A59 HydrophobicContact CB-CB 4.3Å; L34-A59 HydrophobicContact CD2-CB 4.18Å; F35-A59 HydrophobicContact CB-CB 4.13Å; C55-A59 WeakPolarHBondContact O-CB 3.37Å; C55-A59 PolarHBondContact O-N 2.86Å; T56-A59 PolarHBondContact O-N 3.4Å; A59-S62 PolarHBondContact O-N 3.21Å; A59-I63 VanDerWaalsContact O-CG1 3.29Å; A59-I63 WeakPolarHBondContact O-CG1 3.42Å; A59-I63 PolarHBondContact O-N 3.22Å
60V95.6Very high92Very high49 Ų4920.2 Ų20.230%0.29711%0.105SC..Hα-helixtrans-60.5-48.8176.9172.50000110.5F35 T56 N57 M58 S62 I63 L64 W143F35-V60 HydrophobicContact CD2-CG2 4.01Å; F35-V60 HydrophobicContact CE2-CG2 3.84Å; T56-V60 WeakPolarHBondContact O-CG2 3.45Å; T56-V60 PolarHBondContact O-N 3.03Å; N57-V60 PolarHBondContact O-N 2.99Å; M58-V60 PolarHBondContact O-N 3.02Å; V60-S62 VanDerWaalsContact C-N 3.35Å; V60-S62 PolarHBondContact O-N 3.12Å; V60-I63 PolarHBondContact O-N 3.01Å; V60-L64 HydrophobicContact CG1-CD1 4.25Å; V60-L64 WeakPolarHBondContact O-CG 3.29Å; V60-L64 PolarHBondContact O-N 2.84Å; V60-W143 HydrophobicContact CG1-CH2 4.42Å; V60-W143 HydrophobicContact CG1-CZ2 4.04Å
61S95.8Very high91.9Very high0 Ų022.8 Ų22.80%012%0.115CC..Hα-helixtrans-62.8-39.5178.569.90000112.8N57 M58 L64 I65 N102N57-S61 PolarHBondContact O-N 2.69Å; N57-S61 PolarHBondContact O-OG 2.83Å; M58-S61 PolarHBondContact O-N 3.44Å; M58-S61 PolarHBondContact O-OG 2.97Å; S61-L64 PolarHBondContact O-N 3.38Å; S61-I65 VanDerWaalsContact O-CG1 3.3Å; S61-I65 WeakPolarHBondContact O-CG1 3.44Å; S61-I65 PolarHBondContact O-N 3.22Å; S61-N102 WeakPolarHBondContact OG-CA 3.38Å; S61-N102 WeakPolarHBondContact OG-CB 3.48Å; S61-N102 PolarHBondContact OG-ND2 2.93Å
62S96.3Very high91.1Very high0 Ų021.5 Ų21.50%011%0.112CC..Hα-helixtrans-64.1-43.8177-70.40000111.8N31 M58 A59 V60 I65 L66 N102N31-S62 VanDerWaalsContact OD1-CB 3.26Å; N31-S62 WeakPolarHBondContact OD1-CB 3.48Å; M58-S62 WeakPolarHBondContact O-CB 3.44Å; M58-S62 PolarHBondContact O-N 3.04Å; M58-S62 PolarHBondContact O-OG 3.43Å; M58-S62 VanDerWaalsContact O-OG 3.09Å; A59-S62 PolarHBondContact O-N 3.21Å; V60-S62 VanDerWaalsContact C-N 3.35Å; V60-S62 PolarHBondContact O-N 3.12Å; S62-I65 PolarHBondContact O-N 3.36Å; S62-L66 VanDerWaalsContact O-CG 3.3Å; S62-L66 WeakPolarHBondContact O-CG 3.37Å; S62-L66 PolarHBondContact O-N 3.3Å; S62-N102 PolarHBondContact OG-ND2 3.27Å; S62-N102 VanDerWaalsContact OG-ND2 3.07Å
63I95.9Very high89.7Confident35 Ų3523.5 Ų23.518%0.17912%0.124CC..Hα-helixtrans-61.2-45.9175.2-69.8167.3000110N31 I32 A59 V60 I65 L66 F67N31-I63 HydrophobicContact CB-CD1 3.89Å; N31-I63 HydrophobicContact CB-CG1 3.59Å; I32-I63 HydrophobicContact CG1-CD1 4.09Å; A59-I63 VanDerWaalsContact O-CG1 3.29Å; A59-I63 WeakPolarHBondContact O-CG1 3.42Å; A59-I63 PolarHBondContact O-N 3.22Å; V60-I63 PolarHBondContact O-N 3.01Å; I63-I65 VanDerWaalsContact C-N 3.35Å; I63-I65 PolarHBondContact O-N 2.9Å; I63-L66 PolarHBondContact O-N 3.21Å; I63-F67 HydrophobicContact CG2-CD2 3.57Å; I63-F67 HydrophobicContact CG2-CE2 3.72Å; I63-F67 WeakPolarHBondContact O-CD2 3.41Å; I63-F67 PolarHBondContact O-N 3.25Å
64L94Very high88Confident57 Ų5725.4 Ų25.430%0.29813%0.133SC..Hα-helixtrans-58.7-45.1176.8-70.2173.9000111.7V60 S61 L66 F67 M68 A98 W143V60-L64 HydrophobicContact CG1-CD1 4.25Å; V60-L64 WeakPolarHBondContact O-CG 3.29Å; V60-L64 PolarHBondContact O-N 2.84Å; S61-L64 PolarHBondContact O-N 3.38Å; L64-L66 VanDerWaalsContact C-N 3.35Å; L64-L66 PolarHBondContact O-N 3.42Å; L64-F67 PolarHBondContact O-N 3.25Å; L64-M68 WeakPolarHBondContact O-CB 3.47Å; L64-M68 WeakPolarHBondContact O-CG 3.34Å; L64-M68 PolarHBondContact O-N 2.88Å; L64-A98 HydrophobicContact CB-CB 3.72Å; L64-A98 HydrophobicContact CD1-CB 4.43Å; L64-W143 HydrophobicContact CD1-CH2 4.12Å
65I94.4Very high86.1Confident5 Ų528.1 Ų28.13%0.02615%0.15CC..Hα-helixtrans-59.6-46.5176.2-66.8163000110.8S61 S62 I63 M68 T69 A98 N102 T278 P282S61-I65 VanDerWaalsContact O-CG1 3.3Å; S61-I65 WeakPolarHBondContact O-CG1 3.44Å; S61-I65 PolarHBondContact O-N 3.22Å; S62-I65 PolarHBondContact O-N 3.36Å; I63-I65 VanDerWaalsContact C-N 3.35Å; I63-I65 PolarHBondContact O-N 2.9Å; I65-M68 PolarHBondContact O-N 3.48Å; I65-T69 VanDerWaalsContact O-CB 3.26Å; I65-T69 WeakPolarHBondContact O-CB 3.45Å; I65-T69 PolarHBondContact O-N 3.41Å; I65-T69 PolarHBondContact O-OG1 3.41Å; I65-A98 HydrophobicContact CG1-CB 3.78Å; I65-N102 HydrophobicContact CD1-CB 3.72Å; I65-T278 HydrophobicContact CG2-CG2 3.92Å; I65-P282 HydrophobicContact CB-CG 4.1Å; I65-P282 HydrophobicContact CD1-CG 4.15Å; I65-P282 HydrophobicContact CG2-CG 3.78Å
66L94.9Very high83.9Confident0 Ų032.7 Ų32.70%017%0.17CC..Hα-helixtrans-62-47.2-179.5-71.6172.2000111.9F24 S62 I63 L64 T69 V70 P282F24-L66 HydrophobicContact CD2-CB 4.04Å; S62-L66 VanDerWaalsContact O-CG 3.3Å; S62-L66 WeakPolarHBondContact O-CG 3.37Å; S62-L66 PolarHBondContact O-N 3.3Å; I63-L66 PolarHBondContact O-N 3.21Å; L64-L66 VanDerWaalsContact C-N 3.35Å; L64-L66 PolarHBondContact O-N 3.42Å; L66-T69 PolarHBondContact O-N 2.87Å; L66-V70 WeakPolarHBondContact O-CG2 3.24Å; L66-V70 PolarHBondContact O-N 3.48Å; L66-P282 HydrophobicContact CD1-CB 4.23Å; L66-P282 HydrophobicContact CD2-CB 4.07Å; L66-P282 HydrophobicContact CG-CB 3.87Å
67F92.3Very high81.5Confident83 Ų8336.4 Ų36.436%0.36419%0.192SC..Hα-helixtrans-61.7-48.2177.1-92.5-85.8000112.1F24 T28 I63 L64 T69 F71F24-F67 HydrophobicContact CE2-CD1 4.2Å; F24-F67 HydrophobicContact CE2-CD2 4Å; F24-F67 HydrophobicContact CE2-CE1 4.27Å; F24-F67 HydrophobicContact CE2-CE2 4.08Å; F24-F67 HydrophobicContact CE2-CG 4.08Å; F24-F67 HydrophobicContact CE2-CZ 4.21Å; F24-F67 HydrophobicContact CZ-CD1 4.39Å; F24-F67 HydrophobicContact CZ-CE1 4.03Å; F24-F67 HydrophobicContact CZ-CE2 4.15Å; F24-F67 AromaticContact CZ-CZ 3.9Å; F24-F67 HydrophobicContact CZ-CZ 3.9Å; T28-F67 HydrophobicContact CG2-CE2 4.26Å; I63-F67 HydrophobicContact CG2-CD2 3.57Å; I63-F67 HydrophobicContact CG2-CE2 3.72Å; I63-F67 WeakPolarHBondContact O-CD2 3.41Å; I63-F67 PolarHBondContact O-N 3.25Å; L64-F67 PolarHBondContact O-N 3.25Å; F67-T69 VanDerWaalsContact C-N 3.26Å; F67-T69 PolarHBondContact O-N 2.8Å; F67-F71 HydrophobicContact CD1-CD2 4.17Å; F67-F71 WeakPolarHBondContact O-CA 3.29Å; F67-F71 PolarHBondContact O-N 3.4Å
68M89.1Confident79.3Confident7 Ų742.2 Ų42.23%0.03423%0.228CC..Hα-helixtrans-67-29.1-179.2-63-66.1165.300112.2L64 I65 V75 E91 L94 R95L64-M68 WeakPolarHBondContact O-CB 3.47Å; L64-M68 WeakPolarHBondContact O-CG 3.34Å; L64-M68 PolarHBondContact O-N 2.88Å; I65-M68 PolarHBondContact O-N 3.48Å; M68-V75 HydrophobicContact CE-CG1 3.8Å; M68-V75 HydrophobicContact CE-CG2 4.2Å; M68-V75 HydrophobicContact SD-CG1 4.48Å; M68-V75 HydrophobicContact SD-CG2 3.79Å; M68-E91 HydrophobicContact SD-CG 4.02Å; M68-L94 HydrophobicContact CE-CB 3.8Å; M68-L94 HydrophobicContact CE-CD1 3.65Å; M68-L94 HydrophobicContact CE-CG 4.34Å; M68-L94 HydrophobicContact SD-CB 4.19Å; M68-R95 HydrophobicContact CB-CB 4.12Å; M68-R95 HydrophobicContact CB-CG 4.27Å; M68-R95 PolarHBondContact O-NH2 2.84Å
69T89.4Confident76.9Confident3 Ų348.2 Ų48.22%0.01826%0.256CS..Hα-helixtrans-76.1-47.4178.9-56.40000111.6L20 I65 L66 F67 E275L20-T69 HydrophobicContact CD1-CG2 3.99Å; I65-T69 VanDerWaalsContact O-CB 3.26Å; I65-T69 WeakPolarHBondContact O-CB 3.45Å; I65-T69 PolarHBondContact O-N 3.41Å; I65-T69 PolarHBondContact O-OG1 3.41Å; L66-T69 PolarHBondContact O-N 2.87Å; F67-T69 VanDerWaalsContact C-N 3.26Å; F67-T69 PolarHBondContact O-N 2.8Å; T69-E275 HydrophobicContact CG2-CB 3.8Å; T69-E275 HydrophobicContact CG2-CG 4.09Å
70V87.6Confident74.6Confident30 Ų3058.5 Ų58.518%0.18230%0.295CS..Hα-helixtrans-78.1-33.8-177.3176.40000112.1L20 L21 F24 L66 P72L20-V70 HydrophobicContact CD1-CG2 4.09Å; L20-V70 HydrophobicContact CD2-CG2 4.31Å; L20-V70 HydrophobicContact CG-CG2 3.86Å; L21-V70 HydrophobicContact CD1-CG1 4.47Å; F24-V70 HydrophobicContact CB-CB 4.49Å; F24-V70 HydrophobicContact CB-CG2 3.58Å; F24-V70 HydrophobicContact CD2-CB 4.1Å; F24-V70 HydrophobicContact CD2-CG2 3.84Å; F24-V70 HydrophobicContact CG-CB 4.36Å; F24-V70 HydrophobicContact CG-CG1 4.41Å; F24-V70 HydrophobicContact CG-CG2 3.92Å; L66-V70 WeakPolarHBondContact O-CG2 3.24Å; L66-V70 PolarHBondContact O-N 3.48Å; V70-P72 VanDerWaalsContact C-CD 3.48Å; V70-P72 WeakPolarHBondContact O-CD 3.23Å
71F82Confident72.5Confident68 Ų6863 Ų6330%0.29832%0.317SS..  trans-12968.8-175.3-51.9-78000113.1F24 F67 N73 N74F24-F71 HydrophobicContact CD2-CE2 4.49Å; F24-F71 AromaticContact CE1-CE2 3.96Å; F24-F71 HydrophobicContact CE1-CE2 3.96Å; F24-F71 HydrophobicContact CE1-CZ 4.49Å; F24-F71 HydrophobicContact CE2-CD2 4.38Å; F24-F71 AromaticContact CE2-CE2 3.94Å; F24-F71 HydrophobicContact CE2-CE2 3.94Å; F24-F71 HydrophobicContact CZ-CD2 4.47Å; F24-F71 AromaticContact CZ-CE2 3.66Å; F24-F71 HydrophobicContact CZ-CE2 3.66Å; F67-F71 HydrophobicContact CD1-CD2 4.17Å; F67-F71 WeakPolarHBondContact O-CA 3.29Å; F67-F71 PolarHBondContact O-N 3.4Å; F71-N73 PolarHBondContact O-N 3.3Å; F71-N73 VanDerWaalsContact O-N 3.16Å; F71-N74 HydrophobicContact CB-CB 4.03Å; F71-N74 WeakPolarHBondContact CB-ND2 3.26Å; F71-N74 WeakPolarHBondContact CB-OD1 3.4Å; F71-N74 VanDerWaalsContact CD1-ND2 3.27Å; F71-N74 WeakPolarHBondContact CD1-ND2 3.28Å; F71-N74 WeakPolarHBondContact CG-ND2 3.37Å; F71-N74 PolarHBondContact O-N 3.36Å; F71-N74 PolarHBondContact O-OD1 3.41Å
72P68.2Low70.4Confident30 Ų3066.1 Ų66.120%0.19533%0.333CS..THydrogen-bonded Turntrans-53.6-40.6177.621.7-33.6000112.2V70 E91V70-P72 VanDerWaalsContact C-CD 3.48Å; V70-P72 WeakPolarHBondContact O-CD 3.23Å; P72-E91 VanDerWaalsContact C-OE2 3.22Å; P72-E91 WeakPolarHBondContact CA-OE1 3.48Å; P72-E91 WeakPolarHBondContact CA-OE2 3.31Å; P72-E91 WeakPolarHBondContact CB-OE1 3.19Å; P72-E91 VanDerWaalsContact CB-OE2 3.32Å; P72-E91 WeakPolarHBondContact CB-OE2 3.45Å; P72-E91 VanDerWaalsContact O-CG 3.23Å; P72-E91 WeakPolarHBondContact O-CG 3.24Å
73N59.5Low68.5Low73 Ų7367.1 Ų67.139%0.3934%0.338SS..THydrogen-bonded Turntrans-97.4-5-168.7-603.3000115F71 M83 Q87F71-N73 PolarHBondContact O-N 3.3Å; F71-N73 VanDerWaalsContact O-N 3.16Å; N73-M83 HydrophobicContact CB-CE 3.79Å; N73-M83 WeakPolarHBondContact OD1-CE 3.17Å; N73-Q87 PolarHBondContact O-NE2 2.92Å
74N54.2Low67.1Low60 Ų6069.5 Ų69.532%0.32135%0.351SS..THydrogen-bonded Turntrans-96.2-7.1-172.483.2-11.3000114.4F71 F76 V77F71-N74 HydrophobicContact CB-CB 4.03Å; F71-N74 WeakPolarHBondContact CB-ND2 3.26Å; F71-N74 WeakPolarHBondContact CB-OD1 3.4Å; F71-N74 VanDerWaalsContact CD1-ND2 3.27Å; F71-N74 WeakPolarHBondContact CD1-ND2 3.28Å; F71-N74 WeakPolarHBondContact CG-ND2 3.37Å; F71-N74 PolarHBondContact O-N 3.36Å; F71-N74 PolarHBondContact O-OD1 3.41Å; N74-F76 PolarHBondContact O-N 3.34Å; N74-V77 HydrophobicContact CB-CG2 4.23Å; N74-V77 WeakPolarHBondContact O-CG2 3.47Å; N74-V77 PolarHBondContact O-N 2.94Å
75V51.1Low66.1Low57 Ų5770 Ų7035%0.34535%0.354SS..THydrogen-bonded Turntrans-61.8-23.1-175.2-140.20000111.5M68 E91M68-V75 HydrophobicContact CE-CG1 3.8Å; M68-V75 HydrophobicContact CE-CG2 4.2Å; M68-V75 HydrophobicContact SD-CG1 4.48Å; M68-V75 HydrophobicContact SD-CG2 3.79Å; V75-E91 HydrophobicContact CG2-CG 4.32Å
76F44.9Very low65.2Low98 Ų9875.1 Ų75.143%0.4338%0.381SS..THydrogen-bonded Turntrans-132.273.9174.1-57.3-79.6000110.4N74 V78 Q87 L90N74-F76 PolarHBondContact O-N 3.34Å; F76-V78 PolarHBondContact O-N 3.03Å; F76-Q87 HydrophobicContact CD2-CG 4.16Å; F76-L90 HydrophobicContact CE2-CB 4.45Å; F76-L90 HydrophobicContact CE2-CD1 4.28Å; F76-L90 HydrophobicContact CZ-CD1 4.36Å
77V42.5Very low64.3Low94 Ų9476.2 Ų76.257%0.5739%0.386SS*.THydrogen-bonded Turntrans-59.4-4.2176.2-176.20000113.7N74 Q79N74-V77 HydrophobicContact CB-CG2 4.23Å; N74-V77 WeakPolarHBondContact O-CG2 3.47Å; N74-V77 PolarHBondContact O-N 2.94Å; V77-Q79 VanDerWaalsContact C-N 3.29Å; V77-Q79 PolarHBondContact O-N 3.36Å
78V47Very low63.6Low137 Ų13772.2 Ų72.283%0.8337%0.369SS*.THydrogen-bonded Turntrans-70.7-17.4-170.9176.70000113.8F76F76-V78 PolarHBondContact O-N 3.03Å
79Q44Very low63.3Low126 Ų12674.2 Ų74.259%0.58938%0.377SS*.  trans-138.9100.9175.7-162.871.9-45.900113.3V77 N81V77-Q79 VanDerWaalsContact C-N 3.29Å; V77-Q79 PolarHBondContact O-N 3.36Å; Q79-N81 VanDerWaalsContact C-N 3.29Å; Q79-N81 PolarHBondContact O-N 3.45Å
80R48.4Very low63Low217 Ų21777 Ų7782%0.81939%0.392SS*.THydrogen-bonded Turntrans-73.8-3.4-176.6-75.5-175175.1-175.1-1.5115.8
81N50.1Low62.8Low142 Ų14276 Ų7676%0.75939%0.385SS*.THydrogen-bonded Turntrans-108-5.7-161.9-74.8-6.8000117.7Q79Q79-N81 VanDerWaalsContact C-N 3.29Å; Q79-N81 PolarHBondContact O-N 3.45Å
82L52.4Low62.9Low66 Ų6674.5 Ų74.535%0.34638%0.378SS..  trans-166.9134.7166.1-171.260.8000106.3N84 K172L82-N84 PolarHBondContact O-N 3.45Å; L82-K172 HydrophobicContact CD1-CG 4.25Å
83M57.5Low63.8Low21 Ų2174.9 Ų74.910%0.10338%0.376CS..  trans-60.3104.8164.3178.265.476.600106.8N73 Q87 C88 P160N73-M83 HydrophobicContact CB-CE 3.79Å; N73-M83 WeakPolarHBondContact OD1-CE 3.17Å; M83-Q87 HydrophobicContact SD-CB 3.66Å; M83-Q87 HydrophobicContact SD-CG 3.47Å; M83-Q87 WeakPolarHBondContact SD-CG 3.37Å; M83-C88 HydrophobicContact CG-CB 4.11Å; M83-C88 HydrophobicContact SD-CB 4.38Å; M83-P160 HydrophobicContact CB-CG 4.28Å
84N66.1Low65.3Low85 Ų8574.3 Ų74.346%0.45537%0.373SS..  trans-65.9138.8175.8-76.8-5.8000108L82 L86 Q87 C88L82-N84 PolarHBondContact O-N 3.45Å; N84-L86 PolarHBondContact O-N 3.36Å; N84-Q87 WeakPolarHBondContact O-CB 3.31Å; N84-Q87 PolarHBondContact O-N 3.45Å; N84-C88 PolarHBondContact O-N 3.02Å
85D72.6Confident67Low68 Ų6873.6 Ų73.636%0.36437%0.366SS..Hα-helixtrans-46.2-38.3174.8168.675.3000112.6K89 G159D85-K89 WeakPolarHBondContact O-CG 3.43Å; D85-K89 PolarHBondContact O-N 3.41Å; D85-K89 WeakPolarHBondContact OD1-CE 3.43Å; D85-K89 IonicContact OD1-NZ 3Å; D85-K89 PolarHBondContact OD1-NZ 2.8Å; D85-K89 VanDerWaalsContact OD2-CE 3.24Å; D85-K89 WeakPolarHBondContact OD2-CE 3.06Å; D85-K89 IonicContact OD2-NZ 3.86Å; D85-K89 PolarHBondContact OD2-NZ 2.87Å; D85-G159 PolarHBondContact OD1-N 3.48Å
86L75.5Confident68.8Low113 Ų11371.6 Ų71.659%0.59235%0.353SS*.Hα-helixtrans-60.8-44.3174.2-176.364.1000113.5N84 K89 L90N84-L86 PolarHBondContact O-N 3.36Å; L86-K89 PolarHBondContact O-N 3.01Å; L86-L90 HydrophobicContact CD1-CD1 4.18Å; L86-L90 HydrophobicContact CD1-CG 4.26Å; L86-L90 HydrophobicContact CG-CD1 3.94Å; L86-L90 HydrophobicContact CG-CG 4.41Å; L86-L90 WeakPolarHBondContact O-CB 3.13Å; L86-L90 VanDerWaalsContact O-CG 3.27Å; L86-L90 WeakPolarHBondContact O-CG 3.28Å; L86-L90 PolarHBondContact O-N 2.87Å
87Q75.5Confident71.1Confident22 Ų2267.2 Ų67.210%0.10333%0.334CS..Hα-helixtrans-64.4-44.8-178179.7177.1-7.700110.6N73 F76 M83 N84 L90 E91N73-Q87 PolarHBondContact O-NE2 2.92Å; F76-Q87 HydrophobicContact CD2-CG 4.16Å; M83-Q87 HydrophobicContact SD-CB 3.66Å; M83-Q87 HydrophobicContact SD-CG 3.47Å; M83-Q87 WeakPolarHBondContact SD-CG 3.37Å; N84-Q87 WeakPolarHBondContact O-CB 3.31Å; N84-Q87 PolarHBondContact O-N 3.45Å; Q87-L90 PolarHBondContact O-N 3.43Å; Q87-E91 WeakPolarHBondContact O-CB 3.46Å; Q87-E91 PolarHBondContact O-N 3.43Å
88C77.3Confident73.6Confident0 Ų062.8 Ų62.80%031%0.307CS..Hα-helixtrans-58.4-47.5175.3169.40000112.5M83 N84 L90 Y92 C175M83-C88 HydrophobicContact CG-CB 4.11Å; M83-C88 HydrophobicContact SD-CB 4.38Å; N84-C88 PolarHBondContact O-N 3.02Å; C88-L90 PolarHBondContact O-N 3.33Å; C88-Y92 WeakPolarHBondContact O-CB 3.47Å; C88-Y92 PolarHBondContact O-N 2.91Å; C88-Y92 VanDerWaalsContact O-N 3.1Å; C88-C175 WeakPolarHBondContact CA-SG 3.03Å; C88-C175 HydrophobicContact CB-CB 4.3Å; C88-C175 WeakPolarHBondContact CB-SG 3.16Å; C88-C175 WeakPolarHBondContact SG-CA 3.41Å; C88-C175 WeakPolarHBondContact SG-CB 3.45Å; C88-C175 CovalentContact SG-SG 2Å; C88-C175 PolarHBondContact SG-SG 3.37Å
89K83.7Confident75.8Confident49 Ų4958.7 Ų58.721%0.21328%0.277CS..Hα-helixtrans-59.5-45.7176-76.7170.2175.1169.70111.9D85 L86 F93 P154 V157D85-K89 WeakPolarHBondContact O-CG 3.43Å; D85-K89 PolarHBondContact O-N 3.41Å; D85-K89 WeakPolarHBondContact OD1-CE 3.43Å; D85-K89 IonicContact OD1-NZ 3Å; D85-K89 PolarHBondContact OD1-NZ 2.8Å; D85-K89 VanDerWaalsContact OD2-CE 3.24Å; D85-K89 WeakPolarHBondContact OD2-CE 3.06Å; D85-K89 IonicContact OD2-NZ 3.86Å; D85-K89 PolarHBondContact OD2-NZ 2.87Å; L86-K89 PolarHBondContact O-N 3.01Å; K89-F93 WeakPolarHBondContact O-CB 3.3Å; K89-F93 PolarHBondContact O-N 2.99Å; K89-P154 HydrophobicContact CB-CB 4.38Å; K89-P154 WeakPolarHBondContact CD-O 3.39Å; K89-P154 WeakPolarHBondContact CE-O 3.38Å; K89-V157 WeakPolarHBondContact CE-O 3.16Å; K89-V157 HydrophobicContact CG-CB 4.25Å; K89-V157 HydrophobicContact CG-CG1 4.31Å; K89-V157 WeakPolarHBondContact CG-O 3.32Å
90L83.7Confident78.1Confident62 Ų6252.9 Ų52.933%0.32525%0.25SC..Hα-helixtrans-66.6-46.9-179.1-74.4173.6000112.1F76 L86 Q87 C88 F93 L94F76-L90 HydrophobicContact CE2-CB 4.45Å; F76-L90 HydrophobicContact CE2-CD1 4.28Å; F76-L90 HydrophobicContact CZ-CD1 4.36Å; L86-L90 HydrophobicContact CD1-CD1 4.18Å; L86-L90 HydrophobicContact CD1-CG 4.26Å; L86-L90 HydrophobicContact CG-CD1 3.94Å; L86-L90 HydrophobicContact CG-CG 4.41Å; L86-L90 WeakPolarHBondContact O-CB 3.13Å; L86-L90 VanDerWaalsContact O-CG 3.27Å; L86-L90 WeakPolarHBondContact O-CG 3.28Å; L86-L90 PolarHBondContact O-N 2.87Å; Q87-L90 PolarHBondContact O-N 3.43Å; C88-L90 PolarHBondContact O-N 3.33Å; L90-F93 PolarHBondContact O-N 3.18Å; L90-L94 WeakPolarHBondContact O-CB 3.29Å; L90-L94 VanDerWaalsContact O-CG 3.23Å; L90-L94 WeakPolarHBondContact O-CG 3.49Å; L90-L94 PolarHBondContact O-N 2.96Å
91E83.2Confident80.4Confident8 Ų842.5 Ų42.54%0.03721%0.211CC..Hα-helixtrans-60.9-49.2-179.7-173.1-140.5136.900111.2M68 P72 V75 Q87 F93 L94 R95M68-E91 HydrophobicContact SD-CG 4.02Å; P72-E91 VanDerWaalsContact C-OE2 3.22Å; P72-E91 WeakPolarHBondContact CA-OE1 3.48Å; P72-E91 WeakPolarHBondContact CA-OE2 3.31Å; P72-E91 WeakPolarHBondContact CB-OE1 3.19Å; P72-E91 VanDerWaalsContact CB-OE2 3.32Å; P72-E91 WeakPolarHBondContact CB-OE2 3.45Å; P72-E91 VanDerWaalsContact O-CG 3.23Å; P72-E91 WeakPolarHBondContact O-CG 3.24Å; V75-E91 HydrophobicContact CG2-CG 4.32Å; Q87-E91 WeakPolarHBondContact O-CB 3.46Å; Q87-E91 PolarHBondContact O-N 3.43Å; E91-F93 VanDerWaalsContact C-N 3.35Å; E91-F93 PolarHBondContact O-N 3.13Å; E91-L94 PolarHBondContact O-N 3.46Å; E91-R95 WeakPolarHBondContact O-CB 3.46Å; E91-R95 PolarHBondContact O-N 3.43Å; E91-R95 IonicContact OE1-CZ 2.8Å; E91-R95 IonicContact OE1-NE 3.44Å; E91-R95 IonicContact OE1-NH2 2.69Å; E91-R95 PolarHBondContact OE1-NH2 3.29Å
92Y83.2Confident82.5Confident37 Ų3736 Ų3615%0.14518%0.176CC..Hα-helixtrans-64.8-40.8179.2-173.9-85.8000111.5C88 R95 M96 I153 V157 F180C88-Y92 WeakPolarHBondContact O-CB 3.47Å; C88-Y92 PolarHBondContact O-N 2.91Å; C88-Y92 VanDerWaalsContact O-N 3.1Å; Y92-R95 PolarHBondContact O-N 3.21Å; Y92-M96 HydrophobicContact CD1-CG 4.06Å; Y92-M96 HydrophobicContact CD2-CE 4.42Å; Y92-M96 HydrophobicContact CE1-CE 3.94Å; Y92-M96 HydrophobicContact CE1-CG 3.73Å; Y92-M96 HydrophobicContact CE1-SD 4.48Å; Y92-M96 HydrophobicContact CE2-CE 3.6Å; Y92-M96 WeakPolarHBondContact O-CG 3.06Å; Y92-M96 PolarHBondContact O-N 2.97Å; Y92-M96 VanDerWaalsContact O-N 3.08Å; Y92-M96 WeakPolarHBondContact OH-CE 3.48Å; Y92-I153 HydrophobicContact CD1-CG2 3.21Å; Y92-I153 HydrophobicContact CE1-CD1 4.24Å; Y92-I153 HydrophobicContact CE1-CG2 3.43Å; Y92-I153 VanDerWaalsContact CE1-CG2 3.43Å; Y92-I153 HydrophobicContact CG-CG2 4.48Å; Y92-V157 HydrophobicContact CD1-CG2 3.51Å; Y92-V157 HydrophobicContact CE1-CG2 3.84Å; Y92-V157 HydrophobicContact CG-CG2 4.01Å; Y92-F180 HydrophobicContact CE1-CZ 4.5Å; Y92-F180 WeakPolarHBondContact OH-CE2 3.13Å; Y92-F180 VanDerWaalsContact OH-CZ 3.24Å; Y92-F180 WeakPolarHBondContact OH-CZ 3.28Å
93F88.2Confident84.5Confident37 Ų3733 Ų3316%0.16216%0.16CC..Hα-helixtrans-59.8-49.2173.6174.4-107000112.1K89 L90 E91 R95 M96 V97 V147 N150 I153 P154K89-F93 WeakPolarHBondContact O-CB 3.3Å; K89-F93 PolarHBondContact O-N 2.99Å; L90-F93 PolarHBondContact O-N 3.18Å; E91-F93 VanDerWaalsContact C-N 3.35Å; E91-F93 PolarHBondContact O-N 3.13Å; F93-R95 VanDerWaalsContact C-N 3.33Å; F93-R95 PolarHBondContact O-N 3.5Å; F93-M96 PolarHBondContact O-N 3.47Å; F93-V97 HydrophobicContact CD1-CG2 4.29Å; F93-V97 HydrophobicContact CD2-CG2 4.05Å; F93-V97 HydrophobicContact CE1-CG2 3.93Å; F93-V97 HydrophobicContact CE2-CG2 3.67Å; F93-V97 HydrophobicContact CG-CG2 4.36Å; F93-V97 HydrophobicContact CZ-CG2 3.61Å; F93-V97 WeakPolarHBondContact O-CB 3.09Å; F93-V97 VanDerWaalsContact O-CG2 3.3Å; F93-V97 WeakPolarHBondContact O-CG2 3.1Å; F93-V97 PolarHBondContact O-N 3.49Å; F93-V147 HydrophobicContact CZ-CG1 4.28Å; F93-N150 HydrophobicContact CD2-CB 4.21Å; F93-N150 WeakPolarHBondContact CD2-O 3.42Å; F93-N150 HydrophobicContact CE2-CB 3.98Å; F93-N150 VanDerWaalsContact CE2-O 3.32Å; F93-N150 WeakPolarHBondContact CE2-O 3.15Å; F93-I153 HydrophobicContact CB-CG2 4.46Å; F93-I153 HydrophobicContact CD2-CB 4.44Å; F93-P154 HydrophobicContact CB-CG 4.06Å; F93-P154 HydrophobicContact CD2-CG 3.87Å; F93-P154 HydrophobicContact CG-CG 4.01Å
94L90.2Very high86.3Confident62 Ų6232.5 Ų32.533%0.32516%0.159SC..Hα-helixtrans-61.7-40.8179.1-72.8172.3000111.9M68 L90 E91 M96 V97 A98M68-L94 HydrophobicContact CE-CB 3.8Å; M68-L94 HydrophobicContact CE-CD1 3.65Å; M68-L94 HydrophobicContact CE-CG 4.34Å; M68-L94 HydrophobicContact SD-CB 4.19Å; L90-L94 WeakPolarHBondContact O-CB 3.29Å; L90-L94 VanDerWaalsContact O-CG 3.23Å; L90-L94 WeakPolarHBondContact O-CG 3.49Å; L90-L94 PolarHBondContact O-N 2.96Å; E91-L94 PolarHBondContact O-N 3.46Å; L94-M96 VanDerWaalsContact C-N 3.32Å; L94-M96 PolarHBondContact O-N 3.32Å; L94-V97 PolarHBondContact O-N 3.11Å; L94-A98 VanDerWaalsContact O-CB 3.24Å; L94-A98 WeakPolarHBondContact O-CB 3.41Å; L94-A98 PolarHBondContact O-N 2.95Å
95R89.1Confident87.6Confident45 Ų4528.5 Ų28.517%0.1714%0.137CC..Hα-helixtrans-58-45.3174.7-172.2-172.5-63.5-145.22.4111.4M68 E91 Y92 F93 R99M68-R95 HydrophobicContact CB-CB 4.12Å; M68-R95 HydrophobicContact CB-CG 4.27Å; M68-R95 PolarHBondContact O-NH2 2.84Å; E91-R95 WeakPolarHBondContact O-CB 3.46Å; E91-R95 PolarHBondContact O-N 3.43Å; E91-R95 IonicContact OE1-CZ 2.8Å; E91-R95 IonicContact OE1-NE 3.44Å; E91-R95 IonicContact OE1-NH2 2.69Å; E91-R95 PolarHBondContact OE1-NH2 3.29Å; Y92-R95 PolarHBondContact O-N 3.21Å; F93-R95 VanDerWaalsContact C-N 3.33Å; F93-R95 PolarHBondContact O-N 3.5Å; R95-R99 PolarHBondContact O-N 3.12Å
96M90Very high88.6Confident14 Ų1425.3 Ų25.37%0.06912%0.12CC..Hα-helixtrans-71.2-42.7-178.1-67.5-69.416400112Y92 F93 L94 R99 S100 I153Y92-M96 HydrophobicContact CD1-CG 4.06Å; Y92-M96 HydrophobicContact CD2-CE 4.42Å; Y92-M96 HydrophobicContact CE1-CE 3.94Å; Y92-M96 HydrophobicContact CE1-CG 3.73Å; Y92-M96 HydrophobicContact CE1-SD 4.48Å; Y92-M96 HydrophobicContact CE2-CE 3.6Å; Y92-M96 WeakPolarHBondContact O-CG 3.06Å; Y92-M96 PolarHBondContact O-N 2.97Å; Y92-M96 VanDerWaalsContact O-N 3.08Å; Y92-M96 WeakPolarHBondContact OH-CE 3.48Å; F93-M96 PolarHBondContact O-N 3.47Å; L94-M96 VanDerWaalsContact C-N 3.32Å; L94-M96 PolarHBondContact O-N 3.32Å; M96-R99 PolarHBondContact O-N 2.9Å; M96-R99 PolarHBondContact SD-NH2 2.87Å; M96-S100 PolarHBondContact O-N 2.98Å; M96-S100 PolarHBondContact O-OG 3.38Å; M96-I153 HydrophobicContact CB-CD1 3.57Å; M96-I153 HydrophobicContact CG-CD1 3.68Å
97V93.2Very high89.5Confident6 Ų620.2 Ų20.24%0.0369%0.094CC..Hα-helixtrans-59.7-47.5173.4170.60000110.8F93 L94 R99 S100 I101 V147 N150F93-V97 HydrophobicContact CD1-CG2 4.29Å; F93-V97 HydrophobicContact CD2-CG2 4.05Å; F93-V97 HydrophobicContact CE1-CG2 3.93Å; F93-V97 HydrophobicContact CE2-CG2 3.67Å; F93-V97 HydrophobicContact CG-CG2 4.36Å; F93-V97 HydrophobicContact CZ-CG2 3.61Å; F93-V97 WeakPolarHBondContact O-CB 3.09Å; F93-V97 VanDerWaalsContact O-CG2 3.3Å; F93-V97 WeakPolarHBondContact O-CG2 3.1Å; F93-V97 PolarHBondContact O-N 3.49Å; L94-V97 PolarHBondContact O-N 3.11Å; V97-R99 VanDerWaalsContact C-N 3.31Å; V97-R99 PolarHBondContact O-N 3.34Å; V97-S100 PolarHBondContact O-N 3.44Å; V97-I101 HydrophobicContact CG1-CD1 3.58Å; V97-I101 HydrophobicContact CG1-CG1 4.32Å; V97-I101 WeakPolarHBondContact O-CD1 3.38Å; V97-I101 VanDerWaalsContact O-CG1 3.25Å; V97-I101 WeakPolarHBondContact O-CG1 3.48Å; V97-I101 PolarHBondContact O-N 3.25Å; V97-V147 HydrophobicContact CG1-CG2 3.98Å; V97-V147 HydrophobicContact CG2-CG2 4.49Å; V97-N150 HydrophobicContact CG2-CB 3.89Å
98A94.3Very high90.4Very high1 Ų120.3 Ų20.31%0.00810%0.096CC..Hα-helixtrans-60-41.7178.800000111.7L64 I65 L94 I101 N102L64-A98 HydrophobicContact CB-CB 3.72Å; L64-A98 HydrophobicContact CD1-CB 4.43Å; I65-A98 HydrophobicContact CG1-CB 3.78Å; L94-A98 VanDerWaalsContact O-CB 3.24Å; L94-A98 WeakPolarHBondContact O-CB 3.41Å; L94-A98 PolarHBondContact O-N 2.95Å; A98-I101 PolarHBondContact O-N 3.21Å; A98-N102 WeakPolarHBondContact O-CB 3.05Å; A98-N102 PolarHBondContact O-N 2.82Å
99R93.1Very high91.1Very high52 Ų5220.4 Ų20.420%0.19610%0.097CC..Hα-helixtrans-63.1-46.2174.6-169.2-175.266.4-160.6-4.5112.5R95 M96 V97 I101 N102 L103R95-R99 PolarHBondContact O-N 3.12Å; M96-R99 PolarHBondContact O-N 2.9Å; M96-R99 PolarHBondContact SD-NH2 2.87Å; V97-R99 VanDerWaalsContact C-N 3.31Å; V97-R99 PolarHBondContact O-N 3.34Å; R99-I101 VanDerWaalsContact C-N 3.33Å; R99-I101 PolarHBondContact O-N 3.49Å; R99-N102 PolarHBondContact O-N 2.99Å; R99-L103 WeakPolarHBondContact O-CB 3.13Å; R99-L103 PolarHBondContact O-N 3.33Å
100S94.1Very high91.5Very high3 Ų318 Ų182%0.0219%0.086CC..Hα-helixtrans-61.4-40.7176.9-67.30000112M96 V97 C104 N150M96-S100 PolarHBondContact O-N 2.98Å; M96-S100 PolarHBondContact O-OG 3.38Å; V97-S100 PolarHBondContact O-N 3.44Å; S100-C104 VanDerWaalsContact O-CB 3.28Å; S100-C104 WeakPolarHBondContact O-CB 3.47Å; S100-C104 PolarHBondContact O-N 2.98Å; S100-N150 PolarHBondContact OG-ND2 3.16Å
101I94.6Very high91.9Very high0 Ų017.4 Ų17.40%09%0.085CC..Hα-helixtrans-64.1-42.5175.7-66.6162.5000110.6V97 A98 R99 C104 S105 W143V97-I101 HydrophobicContact CG1-CD1 3.58Å; V97-I101 HydrophobicContact CG1-CG1 4.32Å; V97-I101 WeakPolarHBondContact O-CD1 3.38Å; V97-I101 VanDerWaalsContact O-CG1 3.25Å; V97-I101 WeakPolarHBondContact O-CG1 3.48Å; V97-I101 PolarHBondContact O-N 3.25Å; A98-I101 PolarHBondContact O-N 3.21Å; R99-I101 VanDerWaalsContact C-N 3.33Å; R99-I101 PolarHBondContact O-N 3.49Å; I101-C104 PolarHBondContact O-N 3.39Å; I101-S105 VanDerWaalsContact O-CB 3.25Å; I101-S105 WeakPolarHBondContact O-CB 3.3Å; I101-S105 PolarHBondContact O-N 3.29Å; I101-S105 PolarHBondContact O-OG 3.44Å; I101-W143 HydrophobicContact CD1-CD2 3.53Å; I101-W143 HydrophobicContact CD1-CE3 3.37Å; I101-W143 HydrophobicContact CD1-CG 4.19Å; I101-W143 HydrophobicContact CD1-CH2 3.9Å; I101-W143 HydrophobicContact CD1-CZ2 4.04Å; I101-W143 HydrophobicContact CD1-CZ3 3.57Å; I101-W143 HydrophobicContact CG1-CD2 4.36Å
102N94.8Very high92.1Very high4 Ų418.8 Ų18.82%0.0219%0.09CC..Hα-helixtrans-64.5-44.7179.9-168.8-93.7000111.9S61 S62 I65 A98 R99 S105 T106 F281S61-N102 WeakPolarHBondContact OG-CA 3.38Å; S61-N102 WeakPolarHBondContact OG-CB 3.48Å; S61-N102 PolarHBondContact OG-ND2 2.93Å; S62-N102 PolarHBondContact OG-ND2 3.27Å; S62-N102 VanDerWaalsContact OG-ND2 3.07Å; I65-N102 HydrophobicContact CD1-CB 3.72Å; A98-N102 WeakPolarHBondContact O-CB 3.05Å; A98-N102 PolarHBondContact O-N 2.82Å; R99-N102 PolarHBondContact O-N 2.99Å; N102-S105 PolarHBondContact O-N 3.38Å; N102-T106 WeakPolarHBondContact O-CB 3.44Å; N102-T106 PolarHBondContact O-N 2.86Å; N102-T106 PolarHBondContact O-OG1 2.81Å; N102-F281 WeakPolarHBondContact OD1-CD1 2.95Å; N102-F281 WeakPolarHBondContact OD1-CE1 3.32Å
103L94.5Very high92.3Very high4 Ų417.8 Ų17.82%0.0219%0.087CC..Hα-helixtrans-59.9-51.5173.7175.263.6000111.4R99 S105 T106 C107 D192 F195 I196 M199 F246R99-L103 WeakPolarHBondContact O-CB 3.13Å; R99-L103 PolarHBondContact O-N 3.33Å; L103-S105 PolarHBondContact O-N 2.81Å; L103-T106 PolarHBondContact O-N 3.28Å; L103-C107 PolarHBondContact O-N 3.45Å; L103-D192 HydrophobicContact CD2-CB 4.21Å; L103-D192 WeakPolarHBondContact CD2-OD1 3.47Å; L103-F195 HydrophobicContact CD1-CB 3.65Å; L103-F195 HydrophobicContact CD1-CG 4.47Å; L103-F195 HydrophobicContact CD2-CB 3.89Å; L103-F195 HydrophobicContact CD2-CD2 3.89Å; L103-F195 HydrophobicContact CD2-CG 4.11Å; L103-F195 HydrophobicContact CG-CB 3.63Å; L103-F195 HydrophobicContact CG-CD2 4.18Å; L103-F195 HydrophobicContact CG-CG 3.93Å; L103-I196 HydrophobicContact CD1-CG1 4.25Å; L103-M199 HydrophobicContact CD1-SD 4.15Å; L103-F246 HydrophobicContact CB-CZ 4.11Å; L103-F246 HydrophobicContact CD1-CE1 3.4Å; L103-F246 VanDerWaalsContact CD1-CE1 3.4Å; L103-F246 HydrophobicContact CD1-CE2 4.42Å; L103-F246 HydrophobicContact CD1-CZ 3.34Å; L103-F246 HydrophobicContact CG-CZ 4.3Å
104C94.8Very high92.3Very high10 Ų1017.7 Ų17.77%0.0689%0.086CC..Hα-helixtrans-60.2-44.8178.6-175.80000111.7S100 I101 T106 C107 V108 C142 F195S100-C104 VanDerWaalsContact O-CB 3.28Å; S100-C104 WeakPolarHBondContact O-CB 3.47Å; S100-C104 PolarHBondContact O-N 2.98Å; I101-C104 PolarHBondContact O-N 3.39Å; C104-T106 VanDerWaalsContact C-N 3.34Å; C104-T106 PolarHBondContact O-N 2.91Å; C104-C107 PolarHBondContact O-N 3.49Å; C104-V108 VanDerWaalsContact O-CG2 3.29Å; C104-V108 WeakPolarHBondContact O-CG2 3.36Å; C104-V108 PolarHBondContact O-N 3.17Å; C104-C142 HydrophobicContact CB-CB 3.69Å; C104-C142 WeakPolarHBondContact CB-SG 3.32Å; C104-C142 WeakPolarHBondContact SG-CA 3.2Å; C104-C142 WeakPolarHBondContact SG-CB 3.44Å; C104-C142 CovalentContact SG-SG 2.04Å; C104-C142 PolarHBondContact SG-SG 3.24Å; C104-F195 HydrophobicContact CB-CE1 4.02Å; C104-F195 HydrophobicContact CB-CZ 4.28Å
105S94.2Very high92.1Very high1 Ų116.1 Ų16.11%0.0078%0.08CC..Hα-helixtrans-62.5-41178.8-57.90000112.1I54 N57 I101 N102 L103 V108 L109I54-S105 WeakPolarHBondContact CG2-O 3.28Å; N57-S105 PolarHBondContact ND2-OG 2.81Å; I101-S105 VanDerWaalsContact O-CB 3.25Å; I101-S105 WeakPolarHBondContact O-CB 3.3Å; I101-S105 PolarHBondContact O-N 3.29Å; I101-S105 PolarHBondContact O-OG 3.44Å; N102-S105 PolarHBondContact O-N 3.38Å; L103-S105 PolarHBondContact O-N 2.81Å; S105-V108 PolarHBondContact O-N 2.04Å; S105-L109 WeakPolarHBondContact O-CB 3.25Å; S105-L109 PolarHBondContact O-N 2.79Å
106T93.9Very high91.8Very high1 Ų116.3 Ų16.31%0.0069%0.086CC..Hα-helixtrans-66.2-39.9178.1-51.30000111N102 L103 C104 L109 S110 M199 L242 F281N102-T106 WeakPolarHBondContact O-CB 3.44Å; N102-T106 PolarHBondContact O-N 2.86Å; N102-T106 PolarHBondContact O-OG1 2.81Å; L103-T106 PolarHBondContact O-N 3.28Å; C104-T106 VanDerWaalsContact C-N 3.34Å; C104-T106 PolarHBondContact O-N 2.91Å; T106-L109 WeakPolarHBondContact O-CB 3.37Å; T106-L109 PolarHBondContact O-N 2.99Å; T106-S110 PolarHBondContact O-N 3.24Å; T106-M199 HydrophobicContact CG2-CE 3.42Å; T106-M199 VanDerWaalsContact CG2-CE 3.42Å; T106-M199 HydrophobicContact CG2-SD 4.19Å; T106-L242 HydrophobicContact CG2-CD2 4.25Å; T106-L242 HydrophobicContact CG2-CG 4.44Å; T106-F281 HydrophobicContact CG2-CZ 4.18Å
107C94.5Very high91.4Very high6 Ų617 Ų174%0.0419%0.09CC..Hα-helixtrans-66.3-41.6173.9-176.80000113.2L103 C104 L109 S110 T111 F195 I198 M199L103-C107 PolarHBondContact O-N 3.45Å; C104-C107 PolarHBondContact O-N 3.49Å; C107-L109 VanDerWaalsContact C-N 3.3Å; C107-L109 PolarHBondContact O-N 3.15Å; C107-S110 PolarHBondContact O-N 3.45Å; C107-S110 PolarHBondContact O-OG 2.68Å; C107-T111 WeakPolarHBondContact O-CB 3.47Å; C107-T111 PolarHBondContact O-N 3.43Å; C107-T111 PolarHBondContact O-OG1 2.88Å; C107-F195 HydrophobicContact CB-CB 4.38Å; C107-F195 HydrophobicContact CB-CD1 3.6Å; C107-F195 HydrophobicContact CB-CE1 4.43Å; C107-F195 HydrophobicContact CB-CG 4.46Å; C107-I198 WeakPolarHBondContact SG-CG2 3.13Å; C107-M199 HydrophobicContact CB-CG 3.77Å; C107-M199 HydrophobicContact CB-SD 4.12Å
108V93Very high90.8Very high25 Ų2519.4 Ų19.415%0.15210%0.102CC..Hα-helixtrans-63-40.5174.41710000110.1I54 C104 S105 T111 Y112 S138I54-V108 HydrophobicContact CD1-CG1 3.78Å; I54-V108 HydrophobicContact CG1-CG1 4.04Å; C104-V108 VanDerWaalsContact O-CG2 3.29Å; C104-V108 WeakPolarHBondContact O-CG2 3.36Å; C104-V108 PolarHBondContact O-N 3.17Å; S105-V108 PolarHBondContact O-N 2.04Å; V108-T111 PolarHBondContact O-N 3.14Å; V108-Y112 WeakPolarHBondContact O-CB 3.43Å; V108-Y112 PolarHBondContact O-N 3.3Å; V108-S138 WeakPolarHBondContact CG1-OG 3.14Å; V108-S138 WeakPolarHBondContact CG2-OG 3.33Å
109L92.5Very high89.5Confident1 Ų125 Ų251%0.00514%0.138CC..Hα-helixtrans-62.1-46.7176.6-173.260.9000112.2K51 I54 S105 T106 C107 Y112 Q113 I239 L242 L289K51-L109 HydrophobicContact CG-CD1 4.27Å; I54-L109 HydrophobicContact CB-CD1 4.45Å; I54-L109 HydrophobicContact CG2-CB 3.8Å; I54-L109 HydrophobicContact CG2-CD1 4.11Å; I54-L109 HydrophobicContact CG2-CG 4.44Å; S105-L109 WeakPolarHBondContact O-CB 3.25Å; S105-L109 PolarHBondContact O-N 2.79Å; T106-L109 WeakPolarHBondContact O-CB 3.37Å; T106-L109 PolarHBondContact O-N 2.99Å; C107-L109 VanDerWaalsContact C-N 3.3Å; C107-L109 PolarHBondContact O-N 3.15Å; L109-Y112 PolarHBondContact O-N 3.29Å; L109-Q113 PolarHBondContact O-N 3.32Å; L109-I239 HydrophobicContact CD1-CD1 4.4Å; L109-I239 HydrophobicContact CG-CD1 4.15Å; L109-L242 HydrophobicContact CD2-CD2 3.77Å; L109-L289 HydrophobicContact CD2-CD2 4.37Å
110S92.1Very high88Confident0 Ų024.8 Ų24.80%015%0.153CC..Hα-helixtrans-65.2-41.7179.874.10000111.8T106 C107 Q113 F114 T202T106-S110 PolarHBondContact O-N 3.24Å; C107-S110 PolarHBondContact O-N 3.45Å; C107-S110 PolarHBondContact O-OG 2.68Å; S110-Q113 PolarHBondContact O-N 3.07Å; S110-F114 WeakPolarHBondContact O-CB 3.36Å; S110-F114 PolarHBondContact O-N 2.92Å; S110-T202 WeakPolarHBondContact CB-OG1 3.48Å; S110-T202 PolarHBondContact OG-OG1 2.82Å
111T91.6Very high86.2Confident49 Ų4931 Ų3130%0.30119%0.185SC..Hα-helixtrans-66-43.9177.1-53.40000111.3C107 V108 Q113 F114 V115C107-T111 WeakPolarHBondContact O-CB 3.47Å; C107-T111 PolarHBondContact O-N 3.43Å; C107-T111 PolarHBondContact O-OG1 2.88Å; V108-T111 PolarHBondContact O-N 3.14Å; T111-Q113 PolarHBondContact O-N 3.45Å; T111-F114 PolarHBondContact O-N 3.46Å; T111-V115 HydrophobicContact CG2-CG2 4.49Å; T111-V115 WeakPolarHBondContact O-CG2 3.05Å; T111-V115 PolarHBondContact O-N 3.26Å
112Y87.8Confident84.1Confident36 Ų3637.6 Ų37.614%0.14121%0.214CC..Hα-helixtrans-58.6-46.6176.9174.5-98000111.7P50 K51 I54 V108 L109 V115 T116 M126 I135P50-Y112 HydrophobicContact CB-CE2 3.8Å; P50-Y112 HydrophobicContact CG-CE2 4.2Å; K51-Y112 HydrophobicContact CB-CE1 4.17Å; I54-Y112 HydrophobicContact CD1-CG 4.28Å; V108-Y112 WeakPolarHBondContact O-CB 3.43Å; V108-Y112 PolarHBondContact O-N 3.3Å; L109-Y112 PolarHBondContact O-N 3.29Å; Y112-V115 PolarHBondContact O-N 2.93Å; Y112-T116 WeakPolarHBondContact O-CB 3.41Å; Y112-T116 PolarHBondContact O-N 3.44Å; Y112-T116 PolarHBondContact O-OG1 3.42Å; Y112-M126 HydrophobicContact CD2-CE 3.37Å; Y112-M126 HydrophobicContact CE2-CE 3.61Å; Y112-M126 HydrophobicContact CE2-CG 4.05Å; Y112-M126 HydrophobicContact CG-CE 4.46Å; Y112-I135 HydrophobicContact CD2-CD1 3.3Å; Y112-I135 HydrophobicContact CD2-CG1 4.48Å; Y112-I135 HydrophobicContact CE2-CD1 3.28Å; Y112-I135 HydrophobicContact CG-CD1 4.44Å
113Q88.1Confident82.1Confident16 Ų1637.9 Ų37.98%0.07522%0.218CC..Hα-helixtrans-65.1-41.8178.9-172.872.927.100111.8L109 S110 T111 V115 T116 L117 M206 I239L109-Q113 PolarHBondContact O-N 3.32Å; S110-Q113 PolarHBondContact O-N 3.07Å; T111-Q113 PolarHBondContact O-N 3.45Å; Q113-V115 PolarHBondContact O-N 3.34Å; Q113-T116 PolarHBondContact O-N 2.94Å; Q113-L117 HydrophobicContact CG-CD1 4.26Å; Q113-L117 WeakPolarHBondContact O-CG 3.12Å; Q113-L117 PolarHBondContact O-N 2.91Å; Q113-L117 VanDerWaalsContact O-N 3.1Å; Q113-M206 HydrophobicContact CB-CE 4.38Å; Q113-M206 HydrophobicContact CB-SD 3.64Å; Q113-M206 HydrophobicContact CG-SD 3.45Å; Q113-M206 WeakPolarHBondContact CG-SD 3.2Å; Q113-I239 HydrophobicContact CB-CD1 3.35Å; Q113-I239 HydrophobicContact CG-CD1 3.47Å; Q113-I239 VanDerWaalsContact CG-CD1 3.47Å
114F89Confident80.1Confident35 Ų3544.4 Ų44.415%0.15425%0.248CC..Hα-helixtrans-58.8-48.5176.4172-110.3000111.6S110 T111 T116 L117 L118 T202 M206 L209S110-F114 WeakPolarHBondContact O-CB 3.36Å; S110-F114 PolarHBondContact O-N 2.92Å; T111-F114 PolarHBondContact O-N 3.46Å; F114-T116 VanDerWaalsContact C-N 3.28Å; F114-T116 PolarHBondContact O-N 3.48Å; F114-L117 PolarHBondContact O-N 3.41Å; F114-L117 VanDerWaalsContact O-N 3.12Å; F114-L118 HydrophobicContact CD1-CD1 4.34Å; F114-L118 HydrophobicContact CE1-CD1 3.82Å; F114-L118 HydrophobicContact CE1-CG 4.36Å; F114-L118 HydrophobicContact CE2-CD2 4.28Å; F114-L118 HydrophobicContact CE2-CG 4.47Å; F114-L118 HydrophobicContact CZ-CD1 4.07Å; F114-L118 HydrophobicContact CZ-CD2 4Å; F114-L118 HydrophobicContact CZ-CG 4.2Å; F114-L118 PolarHBondContact O-N 3.16Å; F114-T202 HydrophobicContact CB-CG2 4.25Å; F114-T202 HydrophobicContact CD1-CG2 4.26Å; F114-T202 HydrophobicContact CG-CG2 4.37Å; F114-M206 VanDerWaalsContact CA-SD 3.59Å; F114-M206 HydrophobicContact CB-CE 4.47Å; F114-M206 HydrophobicContact CB-CG 3.64Å; F114-M206 HydrophobicContact CB-SD 3.97Å; F114-M206 HydrophobicContact CD2-CG 3.71Å; F114-M206 HydrophobicContact CG-CG 4.17Å; F114-M206 PolarHBondContact N-SD 2.92Å; F114-L209 HydrophobicContact CD2-CD1 4.09Å; F114-L209 HydrophobicContact CE2-CD1 3.49Å; F114-L209 VanDerWaalsContact CE2-CD1 3.49Å; F114-L209 HydrophobicContact CZ-CD1 4.37Å
115V86Confident77.8Confident30 Ų3049.9 Ų49.918%0.18228%0.275CS..Hα-helixtrans-63.8-35.5178.2175.30000111.7T111 Y112 Q113 L117 L118 M126T111-V115 HydrophobicContact CG2-CG2 4.49Å; T111-V115 WeakPolarHBondContact O-CG2 3.05Å; T111-V115 PolarHBondContact O-N 3.26Å; Y112-V115 PolarHBondContact O-N 2.93Å; Q113-V115 PolarHBondContact O-N 3.34Å; V115-L117 PolarHBondContact O-N 3.03Å; V115-L118 PolarHBondContact O-N 3.35Å; V115-M126 HydrophobicContact CB-CE 4.22Å; V115-M126 HydrophobicContact CB-SD 4.48Å; V115-M126 HydrophobicContact CG1-CE 3.88Å; V115-M126 HydrophobicContact CG1-SD 3.57Å; V115-M126 VanDerWaalsContact CG1-SD 3.57Å
116T81.4Confident75.8Confident49 Ų4951.1 Ų51.130%0.30128%0.281SS..Hα-helixtrans-66.2-27.6177.2-56.60000112.4Y112 Q113 F114Y112-T116 WeakPolarHBondContact O-CB 3.41Å; Y112-T116 PolarHBondContact O-N 3.44Å; Y112-T116 PolarHBondContact O-OG1 3.42Å; Q113-T116 PolarHBondContact O-N 2.94Å; F114-T116 VanDerWaalsContact C-N 3.28Å; F114-T116 PolarHBondContact O-N 3.48Å
117L82.1Confident73.6Confident29 Ų2956.5 Ų56.515%0.15231%0.313CS..Hα-helixtrans-86.2-15.5177.9-69.8168.3000113.9Q113 F114 V115 M206 L210 E232 A236Q113-L117 HydrophobicContact CG-CD1 4.26Å; Q113-L117 WeakPolarHBondContact O-CG 3.12Å; Q113-L117 PolarHBondContact O-N 2.91Å; Q113-L117 VanDerWaalsContact O-N 3.1Å; F114-L117 PolarHBondContact O-N 3.41Å; F114-L117 VanDerWaalsContact O-N 3.12Å; V115-L117 PolarHBondContact O-N 3.03Å; L117-M206 HydrophobicContact CD1-CB 4.09Å; L117-M206 HydrophobicContact CD1-CG 3.76Å; L117-M206 HydrophobicContact CD1-SD 3.85Å; L117-L210 HydrophobicContact CD1-CD1 4.46Å; L117-L210 HydrophobicContact CD2-CD2 4.14Å; L117-E232 HydrophobicContact CD2-CB 4.07Å; L117-A236 HydrophobicContact CD1-CB 3.85Å
118L80.7Confident71.5Confident56 Ų5665.8 Ų65.829%0.29335%0.348SS..SBendtrans-68.5129.6179-76170.7000110.7F114 V115 L209F114-L118 HydrophobicContact CD1-CD1 4.34Å; F114-L118 HydrophobicContact CE1-CD1 3.82Å; F114-L118 HydrophobicContact CE1-CG 4.36Å; F114-L118 HydrophobicContact CE2-CD2 4.28Å; F114-L118 HydrophobicContact CE2-CG 4.47Å; F114-L118 HydrophobicContact CZ-CD1 4.07Å; F114-L118 HydrophobicContact CZ-CD2 4Å; F114-L118 HydrophobicContact CZ-CG 4.2Å; F114-L118 PolarHBondContact O-N 3.16Å; V115-L118 PolarHBondContact O-N 3.35Å; L118-L209 HydrophobicContact CD2-CD1 3.75Å
119P66.6Low69.5Low117 Ų11767.5 Ų67.576%0.7637%0.37SS*.  trans-69.3141.1174.328.1-33000111.4
120G62.4Low67.5Low49 Ų4978.4 Ų78.451%0.50541%0.411SS..SBendtrans121.9-174.1171.700000114.6F122 G123 E124G120-F122 PolarHBondContact O-N 2.86Å; G120-G123 PolarHBondContact O-N 2.91Å; G120-E124 PolarHBondContact O-N 3.11Å
121N55.4Low65.7Low132 Ų13280.6 Ų80.671%0.70642%0.419SS*.Hα-helixtrans-51.1-28.2179.7-76.424.5000112.5M125N121-M125 WeakPolarHBondContact O-CA 3.47Å; N121-M125 WeakPolarHBondContact O-CB 3.46Å; N121-M125 PolarHBondContact O-N 2.95Å
122F51.6Low64.1Low140 Ų14079.3 Ų79.361%0.61441%0.412SS*.Hα-helixtrans-63.8-45.5177.2-93.9-86.9000113.5G120 M126G120-F122 PolarHBondContact O-N 2.86Å; F122-M126 WeakPolarHBondContact O-CB 3.37Å; F122-M126 PolarHBondContact O-N 3.27Å
123G51.8Low63Low10 Ų1084.9 Ų84.910%0.10344%0.437CS..Hα-helixtrans-67.3-45.1177.200000111.7G120 M126 V127G120-G123 PolarHBondContact O-N 2.91Å; G123-M126 VanDerWaalsContact O-CB 3.22Å; G123-M126 WeakPolarHBondContact O-CB 3.42Å; G123-M126 PolarHBondContact O-N 2.81Å; G123-M126 VanDerWaalsContact O-N 3.14Å; G123-V127 WeakPolarHBondContact O-CG2 3.32Å; G123-V127 PolarHBondContact O-N 3.44Å
124E51.9Low61.9Low140 Ų14088.2 Ų88.265%0.65446%0.458SS*.Hα-helixtrans-68.3-37.8179.1-164.3174.4171.700112.6G120 M126 V127 R128G120-E124 PolarHBondContact O-N 3.11Å; E124-M126 PolarHBondContact O-N 2.95Å; E124-V127 PolarHBondContact O-N 2.75Å; E124-R128 PolarHBondContact O-N 3.29Å
125M48.1Very low61Low126 Ų12687 Ų8762%0.62145%0.454SS*.Hα-helixtrans-74.7-14.4174.8-162.2-179.2-160.500112.1N121 R131N121-M125 WeakPolarHBondContact O-CA 3.47Å; N121-M125 WeakPolarHBondContact O-CB 3.46Å; N121-M125 PolarHBondContact O-N 2.95Å; M125-R131 PolarHBondContact O-NE 3.38Å; M125-R131 PolarHBondContact O-NH2 3.44Å
126M50.5Low60.4Low26 Ų2688.1 Ų88.113%0.12846%0.463CS..Hα-helixtrans-77-37.2168.1-144.888.7172.500111.7Y112 V115 F122 G123 E124 R131 I135Y112-M126 HydrophobicContact CD2-CE 3.37Å; Y112-M126 HydrophobicContact CE2-CE 3.61Å; Y112-M126 HydrophobicContact CE2-CG 4.05Å; Y112-M126 HydrophobicContact CG-CE 4.46Å; V115-M126 HydrophobicContact CB-CE 4.22Å; V115-M126 HydrophobicContact CB-SD 4.48Å; V115-M126 HydrophobicContact CG1-CE 3.88Å; V115-M126 HydrophobicContact CG1-SD 3.57Å; V115-M126 VanDerWaalsContact CG1-SD 3.57Å; F122-M126 WeakPolarHBondContact O-CB 3.37Å; F122-M126 PolarHBondContact O-N 3.27Å; G123-M126 VanDerWaalsContact O-CB 3.22Å; G123-M126 WeakPolarHBondContact O-CB 3.42Å; G123-M126 PolarHBondContact O-N 2.81Å; G123-M126 VanDerWaalsContact O-N 3.14Å; E124-M126 PolarHBondContact O-N 2.95Å; M126-R131 PolarHBondContact SD-NH1 3.32Å; M126-I135 HydrophobicContact CE-CD1 4.23Å
127V49.4Very low60.1Low114 Ų11493.2 Ų93.269%0.69148%0.478SS*.Hα-helixtrans-74-32.1-178.3174.50000112.1G123 E124 G129G123-V127 WeakPolarHBondContact O-CG2 3.32Å; G123-V127 PolarHBondContact O-N 3.44Å; E124-V127 PolarHBondContact O-N 2.75Å; V127-G129 PolarHBondContact O-N 2.94Å
128R50.1Low60.1Low202 Ų20293.6 Ų93.676%0.76248%0.483SS*.SBendtrans-75.8118.6-179.7-152.5155.1-176.7162.7-1.6110E124 R130E124-R128 PolarHBondContact O-N 3.29Å; R128-R130 PolarHBondContact O-N 2.99Å
129G51.5Low60.3Low60 Ų6091.3 Ų91.362%0.61947%0.471SS*.G310 helixtrans-50.26.5-165.900000120.6V127 R131V127-G129 PolarHBondContact O-N 2.94Å; G129-R131 PolarHBondContact O-N 2.98Å
130R50.2Low61.2Low230 Ų23088.8 Ų88.887%0.86846%0.456SS*.G310 helixtrans-64.2-17173.3-149.5170.8-152.9156.66.1113.4R128R128-R130 PolarHBondContact O-N 2.99Å
131R54.2Low62.4Low46 Ų4689.6 Ų89.617%0.17445%0.454CS..G310 helixtrans-103.7-1.1-172.2-64.4-165-152.6-166.7-1117.4M125 M126 G129 K133 V134 I135M125-R131 PolarHBondContact O-NE 3.38Å; M125-R131 PolarHBondContact O-NH2 3.44Å; M126-R131 PolarHBondContact SD-NH1 3.32Å; G129-R131 PolarHBondContact O-N 2.98Å; R131-K133 PolarHBondContact O-N 3.15Å; R131-V134 HydrophobicContact CB-CB 4.33Å; R131-V134 HydrophobicContact CB-CG2 4.36Å; R131-V134 HydrophobicContact CG-CG2 4.25Å; R131-V134 PolarHBondContact O-N 3.33Å; R131-I135 PolarHBondContact O-N 2.89Å
132S57.1Low64.2Low23 Ų2383.5 Ų83.516%0.16142%0.421CS..Hα-helixtrans-54.4-36169.8-177.40000110.7L48 S136L48-S132 PolarHBondContact O-OG 3.46Å; S132-S136 WeakPolarHBondContact O-CB 3.41Å; S132-S136 PolarHBondContact O-N 2.78Å
133K65.3Low66.2Low152 Ų15281.2 Ų81.266%0.66141%0.408SS*.Hα-helixtrans-61.8-48.8171.6-63.3-173.1-179-1760113.7R131 I135 S136 Y137R131-K133 PolarHBondContact O-N 3.15Å; K133-I135 PolarHBondContact O-N 3.39Å; K133-S136 WeakPolarHBondContact O-CB 3.48Å; K133-S136 PolarHBondContact O-N 3.49Å; K133-Y137 HydrophobicContact CB-CD2 4.44Å; K133-Y137 HydrophobicContact CB-CE2 4.05Å; K133-Y137 WeakPolarHBondContact O-CD2 3.41Å; K133-Y137 PolarHBondContact O-N 2.92Å
134V66Low68Low86 Ų8686.2 Ų86.252%0.52143%0.432SS..Hα-helixtrans-56.4-38.4-178.7178.10000111.6R131 Y137 S138R131-V134 HydrophobicContact CB-CB 4.33Å; R131-V134 HydrophobicContact CB-CG2 4.36Å; R131-V134 HydrophobicContact CG-CG2 4.25Å; R131-V134 PolarHBondContact O-N 3.33Å; V134-Y137 WeakPolarHBondContact O-CB 3.21Å; V134-Y137 PolarHBondContact O-N 3.41Å; V134-S138 PolarHBondContact O-N 3.41Å
135I69.2Low69.9Low11 Ų1183.9 Ų83.96%0.05642%0.42CS..Hα-helixtrans-85-32.7-177.7-71.6163.1000111.9P50 I54 Y112 M126 R131 K133 Y137 S138 C139P50-I135 HydrophobicContact CB-CB 3.74Å; P50-I135 HydrophobicContact CB-CD1 3.11Å; P50-I135 HydrophobicContact CB-CG1 3.95Å; P50-I135 HydrophobicContact CB-CG2 3.69Å; P50-I135 HydrophobicContact CG-CD1 3.73Å; I54-I135 HydrophobicContact CD1-CG2 3.75Å; I54-I135 HydrophobicContact CG1-CG2 3.7Å; Y112-I135 HydrophobicContact CD2-CD1 3.3Å; Y112-I135 HydrophobicContact CD2-CG1 4.48Å; Y112-I135 HydrophobicContact CE2-CD1 3.28Å; Y112-I135 HydrophobicContact CG-CD1 4.44Å; M126-I135 HydrophobicContact CE-CD1 4.23Å; R131-I135 PolarHBondContact O-N 2.89Å; K133-I135 PolarHBondContact O-N 3.39Å; I135-Y137 PolarHBondContact O-N 3.38Å; I135-S138 WeakPolarHBondContact O-CA 3.27Å; I135-S138 WeakPolarHBondContact O-CB 3.46Å; I135-S138 PolarHBondContact O-N 2.94Å; I135-C139 PolarHBondContact O-N 3.46Å
136S72.7Confident71.9Confident52 Ų5277.9 Ų77.936%0.36439%0.39SS..Hα-helixtrans-54.8-43.4163.8177.90000110.9S132 K133 S138 C139 C140S132-S136 WeakPolarHBondContact O-CB 3.41Å; S132-S136 PolarHBondContact O-N 2.78Å; K133-S136 WeakPolarHBondContact O-CB 3.48Å; K133-S136 PolarHBondContact O-N 3.49Å; S136-S138 VanDerWaalsContact C-N 3.34Å; S136-S138 PolarHBondContact O-N 3.43Å; S136-C139 PolarHBondContact O-N 3.32Å; S136-C140 PolarHBondContact O-N 3.22Å; S136-C140 PolarHBondContact O-SG 2.85Å
137Y76.4Confident73.9Confident157 Ų15779.4 Ų79.462%0.61640%0.401SS*.Hα-helixtrans-62.1-38.4172.3-68.8-61000112.7K133 V134 I135 C140 S141K133-Y137 HydrophobicContact CB-CD2 4.44Å; K133-Y137 HydrophobicContact CB-CE2 4.05Å; K133-Y137 WeakPolarHBondContact O-CD2 3.41Å; K133-Y137 PolarHBondContact O-N 2.92Å; V134-Y137 WeakPolarHBondContact O-CB 3.21Å; V134-Y137 PolarHBondContact O-N 3.41Å; I135-Y137 PolarHBondContact O-N 3.38Å; Y137-C140 PolarHBondContact O-N 2.92Å; Y137-S141 VanDerWaalsContact O-CB 3.32Å; Y137-S141 WeakPolarHBondContact O-CB 3.36Å; Y137-S141 PolarHBondContact O-N 3.36Å; Y137-S141 PolarHBondContact O-OG 3.22Å
138S81.1Confident75.8Confident37 Ų3779.8 Ų79.826%0.25940%0.399SS..Hα-helixtrans-62.9-44.1175.9-167.20000112.4V108 V134 I135 S136 S141 C142V108-S138 WeakPolarHBondContact CG1-OG 3.14Å; V108-S138 WeakPolarHBondContact CG2-OG 3.33Å; V134-S138 PolarHBondContact O-N 3.41Å; I135-S138 WeakPolarHBondContact O-CA 3.27Å; I135-S138 WeakPolarHBondContact O-CB 3.46Å; I135-S138 PolarHBondContact O-N 2.94Å; S136-S138 VanDerWaalsContact C-N 3.34Å; S136-S138 PolarHBondContact O-N 3.43Å; S138-S141 WeakPolarHBondContact O-CB 3.33Å; S138-S141 PolarHBondContact O-N 2.96Å; S138-C142 PolarHBondContact O-N 2.89Å
139C85.9Confident77.7Confident7 Ų772.1 Ų72.15%0.04737%0.37CS..Hα-helixtrans-65.8-43.2176.5-70.20000111.4V53 N57 I135 S136 S141 C142 W143V53-C139 HydrophobicContact CG1-CB 4.33Å; N57-C139 HydrophobicContact CB-CB 4.4Å; I135-C139 PolarHBondContact O-N 3.46Å; S136-C139 PolarHBondContact O-N 3.32Å; C139-S141 VanDerWaalsContact C-N 3.26Å; C139-S141 PolarHBondContact O-N 2.93Å; C139-C142 WeakPolarHBondContact O-CB 3.37Å; C139-C142 PolarHBondContact O-N 3.22Å; C139-C142 VanDerWaalsContact O-N 3.14Å; C139-W143 PolarHBondContact O-N 3.42Å
140C85Confident79.4Confident65 Ų6569.3 Ų69.344%0.43934%0.341SS..Hα-helixtrans-59.7-38.5173-67.20000111.7S136 Y137 C142 W143 L144S136-C140 PolarHBondContact O-N 3.22Å; S136-C140 PolarHBondContact O-SG 2.85Å; Y137-C140 PolarHBondContact O-N 2.92Å; C140-C142 VanDerWaalsContact C-N 3.34Å; C140-C142 PolarHBondContact O-N 3.15Å; C140-W143 WeakPolarHBondContact O-CB 3.41Å; C140-W143 PolarHBondContact O-N 3.43Å; C140-L144 WeakPolarHBondContact O-CG 3.23Å; C140-L144 PolarHBondContact O-N 3.39Å
141S87.5Confident81.1Confident66 Ų6662.6 Ų62.646%0.46233%0.325SS..Hα-helixtrans-64.7-37.9175.9-58.10000111.6Y137 S138 C139 W143 L144 F145Y137-S141 VanDerWaalsContact O-CB 3.32Å; Y137-S141 WeakPolarHBondContact O-CB 3.36Å; Y137-S141 PolarHBondContact O-N 3.36Å; Y137-S141 PolarHBondContact O-OG 3.22Å; S138-S141 WeakPolarHBondContact O-CB 3.33Å; S138-S141 PolarHBondContact O-N 2.96Å; C139-S141 VanDerWaalsContact C-N 3.26Å; C139-S141 PolarHBondContact O-N 2.93Å; S141-W143 VanDerWaalsContact C-N 3.33Å; S141-W143 PolarHBondContact O-N 3.03Å; S141-L144 PolarHBondContact O-N 3.42Å; S141-F145 WeakPolarHBondContact O-CB 3.41Å; S141-F145 PolarHBondContact O-N 3.42Å
142C92.6Very high82.4Confident3 Ų363 Ų632%0.0233%0.327CS..Hα-helixtrans-61.9-38.1173.1-720000112.7C104 S138 C139 C140 G146C104-C142 HydrophobicContact CB-CB 3.69Å; C104-C142 WeakPolarHBondContact CB-SG 3.32Å; C104-C142 WeakPolarHBondContact SG-CA 3.2Å; C104-C142 WeakPolarHBondContact SG-CB 3.44Å; C104-C142 CovalentContact SG-SG 2.04Å; C104-C142 PolarHBondContact SG-SG 3.24Å; S138-C142 PolarHBondContact O-N 2.89Å; C139-C142 WeakPolarHBondContact O-CB 3.37Å; C139-C142 PolarHBondContact O-N 3.22Å; C139-C142 VanDerWaalsContact O-N 3.14Å; C140-C142 VanDerWaalsContact C-N 3.34Å; C140-C142 PolarHBondContact O-N 3.15Å; C142-G146 PolarHBondContact O-N 3.05Å
143W93.4Very high83.5Confident92 Ų9262.1 Ų62.135%0.34832%0.32SS..Hα-helixtrans-65.5-52.7174.3-83.890.4000111.9N57 V60 L64 I101 C139 C140 S141 F145 G146 V147N57-W143 PolarHBondContact OD1-NE1 3.1Å; V60-W143 HydrophobicContact CG1-CH2 4.42Å; V60-W143 HydrophobicContact CG1-CZ2 4.04Å; L64-W143 HydrophobicContact CD1-CH2 4.12Å; I101-W143 HydrophobicContact CD1-CD2 3.53Å; I101-W143 HydrophobicContact CD1-CE3 3.37Å; I101-W143 HydrophobicContact CD1-CG 4.19Å; I101-W143 HydrophobicContact CD1-CH2 3.9Å; I101-W143 HydrophobicContact CD1-CZ2 4.04Å; I101-W143 HydrophobicContact CD1-CZ3 3.57Å; I101-W143 HydrophobicContact CG1-CD2 4.36Å; C139-W143 PolarHBondContact O-N 3.42Å; C140-W143 WeakPolarHBondContact O-CB 3.41Å; C140-W143 PolarHBondContact O-N 3.43Å; S141-W143 VanDerWaalsContact C-N 3.33Å; S141-W143 PolarHBondContact O-N 3.03Å; W143-F145 VanDerWaalsContact C-N 3.34Å; W143-F145 PolarHBondContact O-N 3.04Å; W143-G146 PolarHBondContact O-N 3.18Å; W143-V147 WeakPolarHBondContact O-CG2 3.23Å; W143-V147 PolarHBondContact O-N 3.13Å
144L91.2Very high84Confident116 Ų11656.8 Ų56.861%0.60730%0.301SS*.Hα-helixtrans-58.8-48.4179.7-69.7174.5000110.7C140 S141 V147 L148C140-L144 WeakPolarHBondContact O-CG 3.23Å; C140-L144 PolarHBondContact O-N 3.39Å; S141-L144 PolarHBondContact O-N 3.42Å; L144-V147 PolarHBondContact O-N 3.17Å; L144-L148 VanDerWaalsContact O-CB 3.31Å; L144-L148 WeakPolarHBondContact O-CB 3.32Å; L144-L148 WeakPolarHBondContact O-CG 3.37Å; L144-L148 PolarHBondContact O-N 3.46Å
145F90.4Very high84.3Confident90 Ų9060.4 Ų60.440%0.39532%0.315SS..Hα-helixtrans-63.7-42.9178.2-176.1-104.9000111.9S141 W143 V147 L148 Y149 H191 F195S141-F145 WeakPolarHBondContact O-CB 3.41Å; S141-F145 PolarHBondContact O-N 3.42Å; W143-F145 VanDerWaalsContact C-N 3.34Å; W143-F145 PolarHBondContact O-N 3.04Å; F145-V147 PolarHBondContact O-N 3.21Å; F145-L148 PolarHBondContact O-N 3.1Å; F145-Y149 WeakPolarHBondContact O-CB 3.11Å; F145-Y149 PolarHBondContact O-N 2.76Å; F145-H191 AromaticContact CE1-CD2 3.61Å; F145-H191 AromaticContact CE1-NE2 3.24Å; F145-H191 WeakPolarHBondContact CE1-NE2 3.36Å; F145-H191 AromaticContact CZ-CD2 3.84Å; F145-H191 AromaticContact CZ-NE2 3.97Å; F145-F195 HydrophobicContact CD1-CZ 4.22Å; F145-F195 AromaticContact CE1-CE2 3.75Å; F145-F195 HydrophobicContact CE1-CE2 3.75Å; F145-F195 AromaticContact CE1-CZ 3.8Å; F145-F195 HydrophobicContact CE1-CZ 3.8Å
146G91.1Very high84.3Confident0 Ų064.3 Ų64.30%033%0.331CS..Hα-helixtrans-60-42.4175.700000112.9C142 W143 N150C142-G146 PolarHBondContact O-N 3.05Å; W143-G146 PolarHBondContact O-N 3.18Å; G146-N150 WeakPolarHBondContact O-CB 3.48Å; G146-N150 PolarHBondContact O-N 3.23Å; G146-N150 PolarHBondContact O-ND2 3.37Å
147V91.4Very high84.1Confident59 Ų5961.9 Ų61.936%0.35831%0.314SS..Hα-helixtrans-68.1-49.2176.6168.80000111.4F93 V97 W143 L144 F145 N150 V151F93-V147 HydrophobicContact CZ-CG1 4.28Å; V97-V147 HydrophobicContact CG1-CG2 3.98Å; V97-V147 HydrophobicContact CG2-CG2 4.49Å; W143-V147 WeakPolarHBondContact O-CG2 3.23Å; W143-V147 PolarHBondContact O-N 3.13Å; L144-V147 PolarHBondContact O-N 3.17Å; F145-V147 PolarHBondContact O-N 3.21Å; V147-N150 PolarHBondContact O-N 3.36Å; V147-V151 PolarHBondContact O-N 2.89Å; V147-V151 VanDerWaalsContact O-N 3.13Å
148L90.5Very high83.4Confident121 Ų12156.9 Ų56.963%0.63430%0.302SS*.Hα-helixtrans-63.7-43.8-178.6-71.7172.4000111.8L144 F145 N150 V151L144-L148 VanDerWaalsContact O-CB 3.31Å; L144-L148 WeakPolarHBondContact O-CB 3.32Å; L144-L148 WeakPolarHBondContact O-CG 3.37Å; L144-L148 PolarHBondContact O-N 3.46Å; F145-L148 PolarHBondContact O-N 3.1Å; L148-N150 VanDerWaalsContact C-N 3.28Å; L148-N150 PolarHBondContact O-N 3.33Å; L148-V151 WeakPolarHBondContact O-CB 3.18Å; L148-V151 WeakPolarHBondContact O-CG1 3.42Å; L148-V151 PolarHBondContact O-N 3.3Å
149Y88.8Confident82.3Confident42 Ų4255.3 Ų55.317%0.16529%0.292CS..Hα-helixtrans-60.8-39.6178.8-179.8-100.3000111.7F145 Y152 L187 W188 H191F145-Y149 WeakPolarHBondContact O-CB 3.11Å; F145-Y149 PolarHBondContact O-N 2.76Å; Y149-Y152 VanDerWaalsContact O-CD1 3.23Å; Y149-Y152 WeakPolarHBondContact O-CD1 3.45Å; Y149-Y152 WeakPolarHBondContact O-CE1 3.41Å; Y149-L187 VanDerWaalsContact OH-C 3.22Å; Y149-L187 PolarHBondContact OH-O 2.92Å; Y149-L187 VanDerWaalsContact OH-O 3.07Å; Y149-W188 WeakPolarHBondContact OH-CA 3.25Å; Y149-W188 PolarHBondContact OH-N 2.69Å; Y149-H191 AromaticContact CD1-CD2 3.92Å; Y149-H191 AromaticContact CD1-NE2 3.99Å; Y149-H191 AromaticContact CD2-CD2 3.63Å; Y149-H191 HydrophobicContact CE1-CB 4.23Å; Y149-H191 AromaticContact CE1-CD2 3.89Å; Y149-H191 AromaticContact CE1-CG 3.86Å; Y149-H191 HydrophobicContact CE2-CB 3.78Å; Y149-H191 AromaticContact CE2-CD2 3.6Å; Y149-H191 AromaticContact CE2-CG 3.87Å; Y149-H191 AromaticContact CG-CD2 3.81Å; Y149-H191 AromaticContact CZ-CD2 3.75Å; Y149-H191 AromaticContact CZ-CG 3.64Å; Y149-H191 WeakPolarHBondContact OH-CB 3.5Å
150N87.8Confident81Confident1 Ų156.1 Ų56.11%0.00530%0.297CS..THydrogen-bonded Turntrans-92.17.4-177.2-69.1-69.8000113.8F93 V97 S100 G146 V147 L148 Y152 I153F93-N150 HydrophobicContact CD2-CB 4.21Å; F93-N150 WeakPolarHBondContact CD2-O 3.42Å; F93-N150 HydrophobicContact CE2-CB 3.98Å; F93-N150 VanDerWaalsContact CE2-O 3.32Å; F93-N150 WeakPolarHBondContact CE2-O 3.15Å; V97-N150 HydrophobicContact CG2-CB 3.89Å; S100-N150 PolarHBondContact OG-ND2 3.16Å; G146-N150 WeakPolarHBondContact O-CB 3.48Å; G146-N150 PolarHBondContact O-N 3.23Å; G146-N150 PolarHBondContact O-ND2 3.37Å; V147-N150 PolarHBondContact O-N 3.36Å; L148-N150 VanDerWaalsContact C-N 3.28Å; L148-N150 PolarHBondContact O-N 3.33Å; N150-Y152 PolarHBondContact O-N 3.29Å; N150-I153 HydrophobicContact CB-CD1 3.77Å; N150-I153 HydrophobicContact CB-CG1 4.38Å; N150-I153 VanDerWaalsContact O-CB 3.23Å; N150-I153 WeakPolarHBondContact O-CB 3.38Å; N150-I153 WeakPolarHBondContact O-CG1 3.32Å; N150-I153 PolarHBondContact O-N 2.85Å; N150-I153 VanDerWaalsContact O-N 3.1Å; N150-I153 WeakPolarHBondContact OD1-CD1 3.49Å
151V86.2Confident79.5Confident89 Ų8960.5 Ų60.554%0.53931%0.311SS..THydrogen-bonded Turntrans-63.3-25.4-174.176.60000113.8V147 L148 I153 P154V147-V151 PolarHBondContact O-N 2.89Å; V147-V151 VanDerWaalsContact O-N 3.13Å; L148-V151 WeakPolarHBondContact O-CB 3.18Å; L148-V151 WeakPolarHBondContact O-CG1 3.42Å; L148-V151 PolarHBondContact O-N 3.3Å; V151-I153 PolarHBondContact O-N 2.95Å; V151-P154 WeakPolarHBondContact O-CD 3.33Å
152Y81.8Confident77.5Confident55 Ų5563.4 Ų63.422%0.21632%0.321CS..THydrogen-bonded Turntrans-73.7-15.6179.169.4-95.2000113Y149 N150 M155 K156 F180 I184Y149-Y152 VanDerWaalsContact O-CD1 3.23Å; Y149-Y152 WeakPolarHBondContact O-CD1 3.45Å; Y149-Y152 WeakPolarHBondContact O-CE1 3.41Å; N150-Y152 PolarHBondContact O-N 3.29Å; Y152-M155 WeakPolarHBondContact O-CB 3.46Å; Y152-M155 PolarHBondContact O-N 3.3Å; Y152-K156 HydrophobicContact CD2-CG 4.44Å; Y152-K156 PolarHBondContact O-N 2.89Å; Y152-F180 HydrophobicContact CE2-CE1 4.43Å; Y152-I184 HydrophobicContact CD2-CG2 4.32Å; Y152-I184 HydrophobicContact CE2-CG2 3.41Å; Y152-I184 VanDerWaalsContact CE2-CG2 3.41Å; Y152-I184 WeakPolarHBondContact OH-CG2 3.1Å
153I78.4Confident75.3Confident3 Ų366.8 Ų66.82%0.01534%0.342CS..Hα-helixtrans-67.1-48.7-169.5-69.5-174.6000112.8Y92 F93 M96 N150 V151 M155 K156 V157Y92-I153 HydrophobicContact CD1-CG2 3.21Å; Y92-I153 HydrophobicContact CE1-CD1 4.24Å; Y92-I153 HydrophobicContact CE1-CG2 3.43Å; Y92-I153 VanDerWaalsContact CE1-CG2 3.43Å; Y92-I153 HydrophobicContact CG-CG2 4.48Å; F93-I153 HydrophobicContact CB-CG2 4.46Å; F93-I153 HydrophobicContact CD2-CB 4.44Å; M96-I153 HydrophobicContact CB-CD1 3.57Å; M96-I153 HydrophobicContact CG-CD1 3.68Å; N150-I153 HydrophobicContact CB-CD1 3.77Å; N150-I153 HydrophobicContact CB-CG1 4.38Å; N150-I153 VanDerWaalsContact O-CB 3.23Å; N150-I153 WeakPolarHBondContact O-CB 3.38Å; N150-I153 WeakPolarHBondContact O-CG1 3.32Å; N150-I153 PolarHBondContact O-N 2.85Å; N150-I153 VanDerWaalsContact O-N 3.1Å; N150-I153 WeakPolarHBondContact OD1-CD1 3.49Å; V151-I153 PolarHBondContact O-N 2.95Å; I153-M155 PolarHBondContact O-N 3.41Å; I153-K156 PolarHBondContact O-N 3.45Å; I153-V157 HydrophobicContact CG2-CG2 3.93Å; I153-V157 WeakPolarHBondContact O-CG2 3.39Å; I153-V157 PolarHBondContact O-N 2.94Å
154P76.2Confident73.1Confident40 Ų4071.3 Ų71.326%0.2637%0.367SS..Hα-helixtrans-58.5-22.2175.8-25.235.3000113.9K89 F93 V151K89-P154 HydrophobicContact CB-CB 4.38Å; K89-P154 WeakPolarHBondContact CD-O 3.39Å; K89-P154 WeakPolarHBondContact CE-O 3.38Å; F93-P154 HydrophobicContact CB-CG 4.06Å; F93-P154 HydrophobicContact CD2-CG 3.87Å; F93-P154 HydrophobicContact CG-CG 4.01Å; V151-P154 WeakPolarHBondContact O-CD 3.33Å
155M72.7Confident70.9Confident163 Ų16371.7 Ų71.780%0.80337%0.369SS*.Hα-helixtrans-80.8-18.9176.3-61.7-178.2176.400113.2Y152 I153Y152-M155 WeakPolarHBondContact O-CB 3.46Å; Y152-M155 PolarHBondContact O-N 3.3Å; I153-M155 PolarHBondContact O-N 3.41Å
156K69.9Low68.8Low93 Ų9377 Ų7740%0.40439%0.392SS..Hα-helixtrans-109.1-21.1-175.7-68-63.6-174.4-176.60114.1Y152 I153 S178 I184Y152-K156 HydrophobicContact CD2-CG 4.44Å; Y152-K156 PolarHBondContact O-N 2.89Å; I153-K156 PolarHBondContact O-N 3.45Å; K156-S178 PolarHBondContact O-N 3.14Å; K156-S178 PolarHBondContact O-OG 3.27Å; K156-I184 HydrophobicContact CG-CD1 4.34Å
157V66.8Low66.8Low1 Ų183.4 Ų83.41%0.00643%0.431CS..EExtended strand (participates in β ladder)trans-85.8129.8174.2177.40000108.3K89 Y92 I153 C175 T177K89-V157 WeakPolarHBondContact CE-O 3.16Å; K89-V157 HydrophobicContact CG-CB 4.25Å; K89-V157 HydrophobicContact CG-CG1 4.31Å; K89-V157 WeakPolarHBondContact CG-O 3.32Å; Y92-V157 HydrophobicContact CD1-CG2 3.51Å; Y92-V157 HydrophobicContact CE1-CG2 3.84Å; Y92-V157 HydrophobicContact CG-CG2 4.01Å; I153-V157 HydrophobicContact CG2-CG2 3.93Å; I153-V157 WeakPolarHBondContact O-CG2 3.39Å; I153-V157 PolarHBondContact O-N 2.94Å; V157-C175 HydrophobicContact CG1-CB 4.43Å; V157-T177 HydrophobicContact CG2-CG2 4.27Å
158S63.4Low64.5Low51 Ų5185 Ų8536%0.35744%0.438SS..EExtended strand (participates in β ladder)trans-115.8142.8169.7-61.30000109V176S158-V176 PolarHBondContact N-O 2.77Å; S158-V176 PolarHBondContact O-N 3.21Å
159G58.1Low62.5Low5 Ų585.2 Ų85.25%0.05244%0.439CS..  trans-65.7-179.6168.400000112.1D85 Q161D85-G159 PolarHBondContact OD1-N 3.48Å; G159-Q161 PolarHBondContact O-N 3.38Å; G159-Q161 VanDerWaalsContact O-N 3.08Å
160P57.3Low60.5Low23 Ų2389.5 Ų89.515%0.14946%0.458CS..  trans-53.8117.9175.9-21.331.1000111M83 S171 K172M83-P160 HydrophobicContact CB-CG 4.28Å; P160-S171 WeakPolarHBondContact CB-O 3.29Å; P160-K172 WeakPolarHBondContact CG-O 3.09Å
161Q53Low58.5Low157 Ų15791 Ų9173%0.73447%0.469SS*.  trans-73.4133.2172.9-162.1168.835.500108G159 T163G159-Q161 PolarHBondContact O-N 3.38Å; G159-Q161 VanDerWaalsContact O-N 3.08Å; Q161-T163 HydrophobicContact CB-CG2 4.49Å; Q161-T163 HydrophobicContact CG-CG2 4.5Å; Q161-T163 PolarHBondContact O-N 2.94Å
162N46.3Very low56.4Low127 Ų12791.9 Ų91.968%0.67947%0.465SS*.  trans-68.670166.4-79.5-38.2000108.9H164N162-H164 PolarHBondContact O-N 3.07Å
163T47.5Very low54.9Low74 Ų7496.3 Ų96.345%0.45448%0.482SS..  trans-68.7117.3163.547.60000106.7Q161 N165Q161-T163 HydrophobicContact CB-CG2 4.49Å; Q161-T163 HydrophobicContact CG-CG2 4.5Å; Q161-T163 PolarHBondContact O-N 2.94Å; T163-N165 PolarHBondContact O-N 3.22Å
164H46.6Very low53.7Low188 Ų18899.9 Ų99.987%0.8750%0.497SS*.SBendtrans-57.6-5176.5-95.6-95.5000114.1N162 K166N162-H164 PolarHBondContact O-N 3.07Å; H164-K166 PolarHBondContact O-N 2.75Å
165N45Very low52.9Low123 Ų12399.8 Ų99.866%0.65850%0.497SS*.  trans-76.8101.5168.6-77.4-7.2000110.4T163 T167T163-N165 PolarHBondContact O-N 3.22Å; N165-T167 PolarHBondContact O-N 3.03Å
166K46Very low52.1Low201 Ų20195.9 Ų95.987%0.87448%0.482SS*.THydrogen-bonded Turntrans-58.8-2.4177.1-79.2179.4175.5168.10115.5H164H164-K166 PolarHBondContact O-N 2.75Å
167T49.9Very low51.5Low135 Ų13593.4 Ų93.483%0.82848%0.475SS*.THydrogen-bonded Turntrans-83.1-14.2-169.130000114.8N165N165-T167 PolarHBondContact O-N 3.03Å
168D43.3Very low50.9Low93 Ų9396.3 Ų96.350%0.49750%0.495SS..  trans-117.273.3179.4-153.7-13000112.5K170 S171D168-K170 PolarHBondContact O-N 3.43Å; D168-K170 VanDerWaalsContact O-N 3.1Å; D168-K170 WeakPolarHBondContact OD1-CB 3.34Å; D168-K170 PolarHBondContact OD1-N 2.9Å; D168-S171 WeakPolarHBondContact O-CB 3.44Å; D168-S171 PolarHBondContact O-N 3.3Å; D168-S171 VanDerWaalsContact O-N 3.07Å; D168-S171 PolarHBondContact O-OG 2.85Å; D168-S171 PolarHBondContact OD1-N 3.25Å
169I48Very low50.5Low126 Ų12697 Ų9765%0.64651%0.51SS*.G310 helixtrans-54.1-27.8174.1-58168.7000110.6K172I169-K172 WeakPolarHBondContact O-CB 3.46Å; I169-K172 PolarHBondContact O-N 3.43Å
170K46.6Very low50.6Low132 Ų13299.4 Ų99.457%0.57452%0.519SS*.G310 helixtrans-71.6-35179.4-68.1-177.8177.8-179.20112.2D168 K172 W173 F174D168-K170 PolarHBondContact O-N 3.43Å; D168-K170 VanDerWaalsContact O-N 3.1Å; D168-K170 WeakPolarHBondContact OD1-CB 3.34Å; D168-K170 PolarHBondContact OD1-N 2.9Å; K170-K172 PolarHBondContact O-N 3.03Å; K170-K172 VanDerWaalsContact O-N 3.1Å; K170-W173 PolarHBondContact O-N 3.43Å; K170-F174 HydrophobicContact CB-CE2 4.45Å; K170-F174 WeakPolarHBondContact O-CD2 3.41Å
171S45.1Very low51.1Low32 Ų32101.7 Ų101.722%0.22454%0.536CS..G310 helixtrans-58.3-24.3174.472.80000113.2P160 D168 W173P160-S171 WeakPolarHBondContact CB-O 3.29Å; D168-S171 WeakPolarHBondContact O-CB 3.44Å; D168-S171 PolarHBondContact O-N 3.3Å; D168-S171 VanDerWaalsContact O-N 3.07Å; D168-S171 PolarHBondContact O-OG 2.85Å; D168-S171 PolarHBondContact OD1-N 3.25Å; S171-W173 VanDerWaalsContact C-N 3.34Å; S171-W173 PolarHBondContact O-N 3.09Å
172K43.3Very low52.1Low108 Ų108100.2 Ų100.247%0.4754%0.537SS..G310 helixtrans-72.8-20.4-178-156.4171-177-1790114.5L82 P160 I169 K170L82-K172 HydrophobicContact CD1-CG 4.25Å; P160-K172 WeakPolarHBondContact CG-O 3.09Å; I169-K172 WeakPolarHBondContact O-CB 3.46Å; I169-K172 PolarHBondContact O-N 3.43Å; K170-K172 PolarHBondContact O-N 3.03Å; K170-K172 VanDerWaalsContact O-N 3.1Å
173W49.5Very low53.6Low148 Ų14895.9 Ų95.956%0.56152%0.523SS*.THydrogen-bonded Turntrans-109.4-11.2-172.3-61.792.1000114.1K170 S171K170-W173 PolarHBondContact O-N 3.43Å; S171-W173 VanDerWaalsContact C-N 3.34Å; S171-W173 PolarHBondContact O-N 3.09Å
174F52.5Low55.1Low78 Ų7893.5 Ų93.534%0.34251%0.507SS..SBendtrans-116.7137.8-173.2-62.2-64.2000111.9K170 V176 R271K170-F174 HydrophobicContact CB-CE2 4.45Å; K170-F174 WeakPolarHBondContact O-CD2 3.41Å; F174-V176 PolarHBondContact O-N 3Å; F174-R271 VanDerWaalsContact CE1-NH1 3.32Å
175C60.2Low56.7Low38 Ų3885.8 Ų85.826%0.25747%0.472SS..  trans-57.4119163.5-70.10000110.6C88 V157C88-C175 WeakPolarHBondContact CA-SG 3.03Å; C88-C175 HydrophobicContact CB-CB 4.3Å; C88-C175 WeakPolarHBondContact CB-SG 3.16Å; C88-C175 WeakPolarHBondContact SG-CA 3.41Å; C88-C175 WeakPolarHBondContact SG-CB 3.45Å; C88-C175 CovalentContact SG-SG 2Å; C88-C175 PolarHBondContact SG-SG 3.37Å; V157-C175 HydrophobicContact CG1-CB 4.43Å
176V55.9Low58.6Low80 Ų8086.7 Ų86.749%0.48547%0.47SS..EExtended strand (participates in β ladder)trans-97.3114.9171.9-178.50000107.3S158 F174 S178S158-V176 PolarHBondContact N-O 2.77Å; S158-V176 PolarHBondContact O-N 3.21Å; F174-V176 PolarHBondContact O-N 3Å; V176-S178 PolarHBondContact O-N 3.43Å
177T57.8Low60.5Low41 Ų4182.1 Ų82.125%0.25245%0.454SS..EExtended strand (participates in β ladder)trans-80105.6170.8-500000108.1V157 G179 F180V157-T177 HydrophobicContact CG2-CG2 4.27Å; T177-G179 PolarHBondContact O-N 3.24Å; T177-F180 HydrophobicContact CG2-CD2 3.57Å; T177-F180 HydrophobicContact CG2-CE2 3.25Å; T177-F180 HydrophobicContact CG2-CG 4.34Å; T177-F180 HydrophobicContact CG2-CZ 3.79Å
178S52.9Low62.3Low63 Ų6376.5 Ų76.544%0.44142%0.418SS..  trans-71111.9176.853.80000109.5K156 V176K156-S178 PolarHBondContact O-N 3.14Å; K156-S178 PolarHBondContact O-OG 3.27Å; V176-S178 PolarHBondContact O-N 3.43Å
179G54.7Low64.4Low64 Ų6475.4 Ų75.466%0.6641%0.409SS*.  trans54.870.5160.700000114.9T177 S181T177-G179 PolarHBondContact O-N 3.24Å; G179-S181 PolarHBondContact O-N 2.94Å
180F60.5Low66.4Low56 Ų5670.9 Ų70.925%0.24639%0.391CS..  trans-55.8110.2157.1-87-66.8000108.2Y92 Y152 T177 I184 M185Y92-F180 HydrophobicContact CE1-CZ 4.5Å; Y92-F180 WeakPolarHBondContact OH-CE2 3.13Å; Y92-F180 VanDerWaalsContact OH-CZ 3.24Å; Y92-F180 WeakPolarHBondContact OH-CZ 3.28Å; Y152-F180 HydrophobicContact CE2-CE1 4.43Å; T177-F180 HydrophobicContact CG2-CD2 3.57Å; T177-F180 HydrophobicContact CG2-CE2 3.25Å; T177-F180 HydrophobicContact CG2-CG 4.34Å; T177-F180 HydrophobicContact CG2-CZ 3.79Å; F180-I184 HydrophobicContact CD1-CB 4.02Å; F180-I184 HydrophobicContact CD1-CG2 3.51Å; F180-I184 HydrophobicContact CE1-CG2 3.67Å; F180-M185 HydrophobicContact CB-CG 3.96Å; F180-M185 HydrophobicContact CB-SD 3.68Å; F180-M185 HydrophobicContact CD1-SD 4.12Å; F180-M185 HydrophobicContact CD2-SD 4.22Å; F180-M185 HydrophobicContact CG-SD 3.77Å
181S67.5Low68.5Low71 Ų7165.2 Ų65.250%0.49737%0.366SS..  trans-61.2144.3168.8171.40000108.5G179 G183 I184 M185G179-S181 PolarHBondContact O-N 2.94Å; S181-G183 PolarHBondContact O-N 3.12Å; S181-G183 PolarHBondContact OG-N 3.07Å; S181-I184 PolarHBondContact O-N 3.14Å; S181-M185 PolarHBondContact O-N 2.85Å; S181-M185 VanDerWaalsContact O-N 3.16Å
182V75.3Confident70.8Confident126 Ų12663.9 Ų63.976%0.76436%0.356SS*.Hα-helixtrans-48.4-34.8173.2-179.80000110.9M185 F186V182-M185 PolarHBondContact O-N 2.86Å; V182-F186 WeakPolarHBondContact O-CB 3.46Å; V182-F186 PolarHBondContact O-N 3.23Å
183G78Confident73.2Confident37 Ų3761 Ų6138%0.38135%0.352SS..Hα-helixtrans-64.3-38.717600000114.3S181 F186 L187S181-G183 PolarHBondContact O-N 3.12Å; S181-G183 PolarHBondContact OG-N 3.07Å; G183-F186 PolarHBondContact O-N 3.16Å; G183-L187 VanDerWaalsContact O-CG 3.32Å; G183-L187 WeakPolarHBondContact O-CG 3.31Å; G183-L187 PolarHBondContact O-N 3.5Å
184I78.9Confident75.3Confident23 Ų2359 Ų5912%0.11835%0.352CS..Hα-helixtrans-71.1-40.4177.7-60.9173.1000110.2Y152 K156 F180 S181 F186 L187 W188Y152-I184 HydrophobicContact CD2-CG2 4.32Å; Y152-I184 HydrophobicContact CE2-CG2 3.41Å; Y152-I184 VanDerWaalsContact CE2-CG2 3.41Å; Y152-I184 WeakPolarHBondContact OH-CG2 3.1Å; K156-I184 HydrophobicContact CG-CD1 4.34Å; F180-I184 HydrophobicContact CD1-CB 4.02Å; F180-I184 HydrophobicContact CD1-CG2 3.51Å; F180-I184 HydrophobicContact CE1-CG2 3.67Å; S181-I184 PolarHBondContact O-N 3.14Å; I184-F186 VanDerWaalsContact C-N 3.31Å; I184-F186 PolarHBondContact O-N 3.25Å; I184-L187 PolarHBondContact O-N 3.33Å; I184-W188 WeakPolarHBondContact O-CB 3.45Å; I184-W188 PolarHBondContact O-N 3.4Å
185M79.9Confident77.3Confident27 Ų2756.7 Ų56.713%0.13334%0.342CS..Hα-helixtrans-58.6-46.5173.7-64.2-58.6-60.500110.6F180 S181 V182 W188 F189 F257F180-M185 HydrophobicContact CB-CG 3.96Å; F180-M185 HydrophobicContact CB-SD 3.68Å; F180-M185 HydrophobicContact CD1-SD 4.12Å; F180-M185 HydrophobicContact CD2-SD 4.22Å; F180-M185 HydrophobicContact CG-SD 3.77Å; S181-M185 PolarHBondContact O-N 2.85Å; S181-M185 VanDerWaalsContact O-N 3.16Å; V182-M185 PolarHBondContact O-N 2.86Å; M185-W188 HydrophobicContact CE-CE3 4.31Å; M185-W188 HydrophobicContact CE-CZ3 4.3Å; M185-W188 PolarHBondContact O-N 2.97Å; M185-W188 HydrophobicContact SD-CE3 4.34Å; M185-F189 HydrophobicContact CE-CE2 3.94Å; M185-F189 WeakPolarHBondContact O-CD2 3.38Å; M185-F189 PolarHBondContact O-N 3.16Å; M185-F257 HydrophobicContact CE-CD1 4.41Å; M185-F257 HydrophobicContact CE-CE1 3.27Å; M185-F257 HydrophobicContact CE-CZ 3.55Å
186F84.3Confident78.9Confident142 Ų14255.7 Ų55.762%0.62333%0.334SS*.Hα-helixtrans-61.2-46.3176.9-179.7-96.2000112.4V182 G183 I184 W188 F189 A190V182-F186 WeakPolarHBondContact O-CB 3.46Å; V182-F186 PolarHBondContact O-N 3.23Å; G183-F186 PolarHBondContact O-N 3.16Å; I184-F186 VanDerWaalsContact C-N 3.31Å; I184-F186 PolarHBondContact O-N 3.25Å; F186-W188 VanDerWaalsContact C-N 3.26Å; F186-W188 PolarHBondContact O-N 3.11Å; F186-F189 PolarHBondContact O-N 3.42Å; F186-A190 HydrophobicContact CE1-CB 4.4Å; F186-A190 VanDerWaalsContact O-CB 3.23Å; F186-A190 WeakPolarHBondContact O-CB 3.31Å; F186-A190 PolarHBondContact O-N 2.92Å
187L87.1Confident80.8Confident104 Ų10455.2 Ų55.255%0.54533%0.334SS..Hα-helixtrans-57.9-42.2176.2-74.7171.9000111.5Y149 G183 I184 A190 H191Y149-L187 VanDerWaalsContact OH-C 3.22Å; Y149-L187 PolarHBondContact OH-O 2.92Å; Y149-L187 VanDerWaalsContact OH-O 3.07Å; G183-L187 VanDerWaalsContact O-CG 3.32Å; G183-L187 WeakPolarHBondContact O-CG 3.31Å; G183-L187 PolarHBondContact O-N 3.5Å; I184-L187 PolarHBondContact O-N 3.33Å; L187-A190 PolarHBondContact O-N 3.4Å; L187-H191 VanDerWaalsContact O-CB 3.3Å; L187-H191 WeakPolarHBondContact O-CB 3.49Å; L187-H191 PolarHBondContact O-N 3.43Å
188W86.3Confident82.6Confident17 Ų1756.5 Ų56.56%0.06434%0.339CS..Hα-helixtrans-63.9-49.2176.5179.618.1000112.7Y149 I184 M185 F186 A190 H191 D192Y149-W188 WeakPolarHBondContact OH-CA 3.25Å; Y149-W188 PolarHBondContact OH-N 2.69Å; I184-W188 WeakPolarHBondContact O-CB 3.45Å; I184-W188 PolarHBondContact O-N 3.4Å; M185-W188 HydrophobicContact CE-CE3 4.31Å; M185-W188 HydrophobicContact CE-CZ3 4.3Å; M185-W188 PolarHBondContact O-N 2.97Å; M185-W188 HydrophobicContact SD-CE3 4.34Å; F186-W188 VanDerWaalsContact C-N 3.26Å; F186-W188 PolarHBondContact O-N 3.11Å; W188-A190 VanDerWaalsContact C-N 3.33Å; W188-A190 PolarHBondContact O-N 3.31Å; W188-H191 PolarHBondContact O-N 3.19Å; W188-D192 PolarHBondContact NE1-OD2 3.25Å; W188-D192 PolarHBondContact O-N 3.41Å; W188-D192 VanDerWaalsContact O-N 3.11Å
189F87.9Confident84.6Confident70 Ų7053.5 Ų53.531%0.30732%0.318SS..Hα-helixtrans-61.8-40174.4-77.6-67.3000112.7M185 F186 D192 A193 C254M185-F189 HydrophobicContact CE-CE2 3.94Å; M185-F189 WeakPolarHBondContact O-CD2 3.38Å; M185-F189 PolarHBondContact O-N 3.16Å; F186-F189 PolarHBondContact O-N 3.42Å; F189-D192 PolarHBondContact O-N 3.3Å; F189-A193 WeakPolarHBondContact O-CB 3.3Å; F189-A193 PolarHBondContact O-N 2.8Å; F189-C254 HydrophobicContact CE1-CB 4.48Å
190A90.6Very high86.6Confident32 Ų3254 Ų5426%0.26430%0.304SS..Hα-helixtrans-65.1-45.1179.100000111.8F186 L187 W188 D192 A193 I194F186-A190 HydrophobicContact CE1-CB 4.4Å; F186-A190 VanDerWaalsContact O-CB 3.23Å; F186-A190 WeakPolarHBondContact O-CB 3.31Å; F186-A190 PolarHBondContact O-N 2.92Å; L187-A190 PolarHBondContact O-N 3.4Å; W188-A190 VanDerWaalsContact C-N 3.33Å; W188-A190 PolarHBondContact O-N 3.31Å; A190-D192 PolarHBondContact O-N 3.04Å; A190-A193 PolarHBondContact O-N 3.1Å; A190-I194 VanDerWaalsContact O-CG1 3.28Å; A190-I194 WeakPolarHBondContact O-CG1 3.32Å; A190-I194 PolarHBondContact O-N 3.48Å
191H91.2Very high88.3Confident13 Ų1359.7 Ų59.76%0.0632%0.324CS..Hα-helixtrans-54.6-53.1174.3168.5-81.1000110.9F145 Y149 L187 W188 A193 I194 F195F145-H191 AromaticContact CE1-CD2 3.61Å; F145-H191 AromaticContact CE1-NE2 3.24Å; F145-H191 WeakPolarHBondContact CE1-NE2 3.36Å; F145-H191 AromaticContact CZ-CD2 3.84Å; F145-H191 AromaticContact CZ-NE2 3.97Å; Y149-H191 AromaticContact CD1-CD2 3.92Å; Y149-H191 AromaticContact CD1-NE2 3.99Å; Y149-H191 AromaticContact CD2-CD2 3.63Å; Y149-H191 HydrophobicContact CE1-CB 4.23Å; Y149-H191 AromaticContact CE1-CD2 3.89Å; Y149-H191 AromaticContact CE1-CG 3.86Å; Y149-H191 HydrophobicContact CE2-CB 3.78Å; Y149-H191 AromaticContact CE2-CD2 3.6Å; Y149-H191 AromaticContact CE2-CG 3.87Å; Y149-H191 AromaticContact CG-CD2 3.81Å; Y149-H191 AromaticContact CZ-CD2 3.75Å; Y149-H191 AromaticContact CZ-CG 3.64Å; Y149-H191 WeakPolarHBondContact OH-CB 3.5Å; L187-H191 VanDerWaalsContact O-CB 3.3Å; L187-H191 WeakPolarHBondContact O-CB 3.49Å; L187-H191 PolarHBondContact O-N 3.43Å; W188-H191 PolarHBondContact O-N 3.19Å; H191-A193 VanDerWaalsContact C-N 3.35Å; H191-A193 PolarHBondContact O-N 2.91Å; H191-I194 PolarHBondContact O-N 3.36Å; H191-F195 AromaticContact CD2-CE2 3.97Å; H191-F195 AromaticContact CE1-CD2 3.87Å; H191-F195 AromaticContact CE1-CE2 3.75Å; H191-F195 AromaticContact NE2-CE2 3.47Å; H191-F195 WeakPolarHBondContact NE2-CE2 3.45Å; H191-F195 WeakPolarHBondContact O-CD2 3.24Å; H191-F195 PolarHBondContact O-N 3.21Å
192D92.2Very high89.5Confident3 Ų356.6 Ų56.62%0.01630%0.302CS..Hα-helixtrans-66.2-39.1-177.6-67.2-5.1000111.7L103 W188 F189 A190 I194 F195 I196 Y250L103-D192 HydrophobicContact CD2-CB 4.21Å; L103-D192 WeakPolarHBondContact CD2-OD1 3.47Å; W188-D192 PolarHBondContact NE1-OD2 3.25Å; W188-D192 PolarHBondContact O-N 3.41Å; W188-D192 VanDerWaalsContact O-N 3.11Å; F189-D192 PolarHBondContact O-N 3.3Å; A190-D192 PolarHBondContact O-N 3.04Å; D192-I194 VanDerWaalsContact C-N 3.34Å; D192-I194 PolarHBondContact O-N 2.86Å; D192-F195 PolarHBondContact O-N 2.92Å; D192-I196 WeakPolarHBondContact O-CB 3.28Å; D192-I196 VanDerWaalsContact O-CG1 3.26Å; D192-I196 WeakPolarHBondContact O-CG1 3.27Å; D192-I196 PolarHBondContact O-N 3.29Å; D192-Y250 HydrophobicContact CB-CE2 3.88Å; D192-Y250 WeakPolarHBondContact CB-OH 3.31Å; D192-Y250 WeakPolarHBondContact OD2-CE2 3.41Å; D192-Y250 PolarHBondContact OD2-OH 2.88Å
193A93.1Very high90.4Very high47 Ų4751 Ų5139%0.38827%0.269SS..Hα-helixtrans-61.7-37.9177.600000112.7F189 A190 H191 S197F189-A193 WeakPolarHBondContact O-CB 3.3Å; F189-A193 PolarHBondContact O-N 2.8Å; A190-A193 PolarHBondContact O-N 3.1Å; H191-A193 VanDerWaalsContact C-N 3.35Å; H191-A193 PolarHBondContact O-N 2.91Å; A193-S197 VanDerWaalsContact O-CB 3.22Å; A193-S197 WeakPolarHBondContact O-CB 3.49Å; A193-S197 PolarHBondContact O-N 3.01Å; A193-S197 PolarHBondContact O-OG 3.26Å
194I94.4Very high91.1Very high106 Ų10652.9 Ų52.954%0.54427%0.273SS..Hα-helixtrans-61.6-52177.1-70.2162.7000110.2A190 H191 D192 I196 S197 I198A190-I194 VanDerWaalsContact O-CG1 3.28Å; A190-I194 WeakPolarHBondContact O-CG1 3.32Å; A190-I194 PolarHBondContact O-N 3.48Å; H191-I194 PolarHBondContact O-N 3.36Å; D192-I194 VanDerWaalsContact C-N 3.34Å; D192-I194 PolarHBondContact O-N 2.86Å; I194-I196 PolarHBondContact O-N 3.46Å; I194-S197 PolarHBondContact O-N 3.19Å; I194-I198 HydrophobicContact CG2-CD1 4.1Å; I194-I198 WeakPolarHBondContact O-CG1 3.3Å; I194-I198 PolarHBondContact O-N 3.4Å; I194-I198 VanDerWaalsContact O-N 3.1Å
195F94.3Very high91.7Very high30 Ų3052.6 Ų52.613%0.13227%0.273CS..Hα-helixtrans-64.2-43180-76.5-77.8000112.1L103 C104 C107 F145 H191 D192 S197 I198 M199L103-F195 HydrophobicContact CD1-CB 3.65Å; L103-F195 HydrophobicContact CD1-CG 4.47Å; L103-F195 HydrophobicContact CD2-CB 3.89Å; L103-F195 HydrophobicContact CD2-CD2 3.89Å; L103-F195 HydrophobicContact CD2-CG 4.11Å; L103-F195 HydrophobicContact CG-CB 3.63Å; L103-F195 HydrophobicContact CG-CD2 4.18Å; L103-F195 HydrophobicContact CG-CG 3.93Å; C104-F195 HydrophobicContact CB-CE1 4.02Å; C104-F195 HydrophobicContact CB-CZ 4.28Å; C107-F195 HydrophobicContact CB-CB 4.38Å; C107-F195 HydrophobicContact CB-CD1 3.6Å; C107-F195 HydrophobicContact CB-CE1 4.43Å; C107-F195 HydrophobicContact CB-CG 4.46Å; F145-F195 HydrophobicContact CD1-CZ 4.22Å; F145-F195 AromaticContact CE1-CE2 3.75Å; F145-F195 HydrophobicContact CE1-CE2 3.75Å; F145-F195 AromaticContact CE1-CZ 3.8Å; F145-F195 HydrophobicContact CE1-CZ 3.8Å; H191-F195 AromaticContact CD2-CE2 3.97Å; H191-F195 AromaticContact CE1-CD2 3.87Å; H191-F195 AromaticContact CE1-CE2 3.75Å; H191-F195 AromaticContact NE2-CE2 3.47Å; H191-F195 WeakPolarHBondContact NE2-CE2 3.45Å; H191-F195 WeakPolarHBondContact O-CD2 3.24Å; H191-F195 PolarHBondContact O-N 3.21Å; D192-F195 PolarHBondContact O-N 2.92Å; F195-S197 VanDerWaalsContact C-N 3.33Å; F195-S197 PolarHBondContact O-N 2.91Å; F195-I198 PolarHBondContact O-N 2.97Å; F195-M199 VanDerWaalsContact O-CG 3.28Å; F195-M199 WeakPolarHBondContact O-CG 3.36Å; F195-M199 PolarHBondContact O-N 3.45Å
196I94.7Very high92.3Very high17 Ų1751.4 Ų51.49%0.08727%0.267CS..Hα-helixtrans-62.2-42177.7-72167.9000110.9L103 D192 I194 I198 M199 I200 F246 V247 Y250L103-I196 HydrophobicContact CD1-CG1 4.25Å; D192-I196 WeakPolarHBondContact O-CB 3.28Å; D192-I196 VanDerWaalsContact O-CG1 3.26Å; D192-I196 WeakPolarHBondContact O-CG1 3.27Å; D192-I196 PolarHBondContact O-N 3.29Å; I194-I196 PolarHBondContact O-N 3.46Å; I196-I198 VanDerWaalsContact C-N 3.34Å; I196-I198 PolarHBondContact O-N 3.48Å; I196-M199 WeakPolarHBondContact O-CB 3.38Å; I196-M199 PolarHBondContact O-N 2.88Å; I196-I200 HydrophobicContact CG2-CD1 3.63Å; I196-I200 HydrophobicContact CG2-CG1 4.27Å; I196-I200 VanDerWaalsContact O-CG1 3.31Å; I196-I200 WeakPolarHBondContact O-CG1 3.44Å; I196-I200 PolarHBondContact O-N 3.37Å; I196-F246 HydrophobicContact CD1-CE1 4.37Å; I196-F246 HydrophobicContact CG1-CE1 4.08Å; I196-V247 HydrophobicContact CG2-CG2 3.97Å; I196-Y250 HydrophobicContact CD1-CD1 3.31Å; I196-Y250 HydrophobicContact CD1-CD2 4.16Å; I196-Y250 HydrophobicContact CD1-CE1 3.42Å; I196-Y250 VanDerWaalsContact CD1-CE1 3.42Å; I196-Y250 HydrophobicContact CD1-CE2 4.25Å; I196-Y250 HydrophobicContact CD1-CG 3.71Å
197S95.8Very high92.5Very high71 Ų7147.8 Ų47.850%0.49726%0.256SS..Hα-helixtrans-61.6-42.8177.8-61.50000111.4A193 I194 F195 I200 W201A193-S197 VanDerWaalsContact O-CB 3.22Å; A193-S197 WeakPolarHBondContact O-CB 3.49Å; A193-S197 PolarHBondContact O-N 3.01Å; A193-S197 PolarHBondContact O-OG 3.26Å; I194-S197 PolarHBondContact O-N 3.19Å; F195-S197 VanDerWaalsContact C-N 3.33Å; F195-S197 PolarHBondContact O-N 2.91Å; S197-I200 PolarHBondContact O-N 3.46Å; S197-W201 VanDerWaalsContact O-CB 3.23Å; S197-W201 WeakPolarHBondContact O-CB 3.24Å; S197-W201 PolarHBondContact O-N 3.42Å
198I95.3Very high92.7Very high67 Ų6747 Ų4734%0.34425%0.252SS..Hα-helixtrans-64.2-42.9175.2-63.4165.6000110.7C107 I194 F195 I196 I200 W201 T202C107-I198 WeakPolarHBondContact SG-CG2 3.13Å; I194-I198 HydrophobicContact CG2-CD1 4.1Å; I194-I198 WeakPolarHBondContact O-CG1 3.3Å; I194-I198 PolarHBondContact O-N 3.4Å; I194-I198 VanDerWaalsContact O-N 3.1Å; F195-I198 PolarHBondContact O-N 2.97Å; I196-I198 VanDerWaalsContact C-N 3.34Å; I196-I198 PolarHBondContact O-N 3.48Å; I198-I200 PolarHBondContact O-N 3.45Å; I198-W201 PolarHBondContact O-N 3.07Å; I198-T202 HydrophobicContact CG2-CG2 4.21Å; I198-T202 WeakPolarHBondContact O-CB 3.3Å; I198-T202 VanDerWaalsContact O-CG2 3.29Å; I198-T202 WeakPolarHBondContact O-CG2 3.29Å; I198-T202 PolarHBondContact O-N 2.84Å; I198-T202 PolarHBondContact O-OG1 2.88Å
199M95.4Very high92.8Very high0 Ų048.7 Ų48.70%026%0.262CS..Hα-helixtrans-60.4-45.4177.3-74.2169.157.500112.3L103 T106 C107 F195 I196 T202 S203 V243 F246L103-M199 HydrophobicContact CD1-SD 4.15Å; T106-M199 HydrophobicContact CG2-CE 3.42Å; T106-M199 VanDerWaalsContact CG2-CE 3.42Å; T106-M199 HydrophobicContact CG2-SD 4.19Å; C107-M199 HydrophobicContact CB-CG 3.77Å; C107-M199 HydrophobicContact CB-SD 4.12Å; F195-M199 VanDerWaalsContact O-CG 3.28Å; F195-M199 WeakPolarHBondContact O-CG 3.36Å; F195-M199 PolarHBondContact O-N 3.45Å; I196-M199 WeakPolarHBondContact O-CB 3.38Å; I196-M199 PolarHBondContact O-N 2.88Å; M199-T202 PolarHBondContact O-OG1 3.48Å; M199-T202 VanDerWaalsContact O-OG1 3.09Å; M199-S203 VanDerWaalsContact O-CB 3.23Å; M199-S203 WeakPolarHBondContact O-CB 3.49Å; M199-S203 PolarHBondContact O-N 2.86Å; M199-S203 PolarHBondContact O-OG 2.91Å; M199-V243 HydrophobicContact CB-CG1 3.94Å; M199-V243 HydrophobicContact CB-CG2 4.26Å; M199-V243 HydrophobicContact CE-CB 4.37Å; M199-V243 HydrophobicContact CE-CG1 4.17Å; M199-V243 HydrophobicContact CE-CG2 3.97Å; M199-F246 HydrophobicContact CE-CB 3.91Å; M199-F246 HydrophobicContact CE-CD1 3.58Å; M199-F246 HydrophobicContact CE-CE1 4.28Å; M199-F246 HydrophobicContact CE-CG 3.74Å; M199-F246 HydrophobicContact SD-CD1 4.33Å; M199-F246 HydrophobicContact SD-CE1 4.49Å
200I94.8Very high92.7Very high74 Ų7446.1 Ų46.138%0.37925%0.252SS..Hα-helixtrans-65.9-50.5177.9-67.6169000109.6I196 S197 I198 T202 S203 V204 V247I196-I200 HydrophobicContact CG2-CD1 3.63Å; I196-I200 HydrophobicContact CG2-CG1 4.27Å; I196-I200 VanDerWaalsContact O-CG1 3.31Å; I196-I200 WeakPolarHBondContact O-CG1 3.44Å; I196-I200 PolarHBondContact O-N 3.37Å; S197-I200 PolarHBondContact O-N 3.46Å; I198-I200 PolarHBondContact O-N 3.45Å; I200-T202 PolarHBondContact O-N 3.32Å; I200-S203 PolarHBondContact O-N 2.93Å; I200-V204 HydrophobicContact CG2-CG2 4.12Å; I200-V204 WeakPolarHBondContact O-CB 3.37Å; I200-V204 VanDerWaalsContact O-CG2 3.31Å; I200-V204 WeakPolarHBondContact O-CG2 3.21Å; I200-V204 PolarHBondContact O-N 3.25Å; I200-V247 HydrophobicContact CD1-CG1 4.49Å; I200-V247 HydrophobicContact CD1-CG2 4.34Å; I200-V247 HydrophobicContact CG1-CG2 4.2Å
201W96.2Very high92.4Very high177 Ų17751 Ų5167%0.6726%0.264SS*.Hα-helixtrans-55.8-50179.9175.4-102.7000112.1S197 I198 S205S197-W201 VanDerWaalsContact O-CB 3.23Å; S197-W201 WeakPolarHBondContact O-CB 3.24Å; S197-W201 PolarHBondContact O-N 3.42Å; I198-W201 PolarHBondContact O-N 3.07Å; W201-S205 WeakPolarHBondContact O-CB 3.36Å; W201-S205 PolarHBondContact O-N 3Å; W201-S205 PolarHBondContact O-OG 3.43Å
202T94.4Very high92.1Very high5 Ų557.7 Ų57.73%0.03129%0.289CS..Hα-helixtrans-63.9-4317951.10000111.4S110 F114 I198 M199 I200 S205 M206S110-T202 WeakPolarHBondContact CB-OG1 3.48Å; S110-T202 PolarHBondContact OG-OG1 2.82Å; F114-T202 HydrophobicContact CB-CG2 4.25Å; F114-T202 HydrophobicContact CD1-CG2 4.26Å; F114-T202 HydrophobicContact CG-CG2 4.37Å; I198-T202 HydrophobicContact CG2-CG2 4.21Å; I198-T202 WeakPolarHBondContact O-CB 3.3Å; I198-T202 VanDerWaalsContact O-CG2 3.29Å; I198-T202 WeakPolarHBondContact O-CG2 3.29Å; I198-T202 PolarHBondContact O-N 2.84Å; I198-T202 PolarHBondContact O-OG1 2.88Å; M199-T202 PolarHBondContact O-OG1 3.48Å; M199-T202 VanDerWaalsContact O-OG1 3.09Å; I200-T202 PolarHBondContact O-N 3.32Å; T202-S205 PolarHBondContact O-N 3.18Å; T202-M206 WeakPolarHBondContact O-CB 3.37Å; T202-M206 WeakPolarHBondContact O-CG 3.45Å; T202-M206 PolarHBondContact O-N 2.87Å
203S92.8Very high91.6Very high9 Ų961.9 Ų61.96%0.06331%0.308CS..Hα-helixtrans-64.5-47.8178.6-600000113.3M199 I200 S205 M206 V207 V243M199-S203 VanDerWaalsContact O-CB 3.23Å; M199-S203 WeakPolarHBondContact O-CB 3.49Å; M199-S203 PolarHBondContact O-N 2.86Å; M199-S203 PolarHBondContact O-OG 2.91Å; I200-S203 PolarHBondContact O-N 2.93Å; S203-S205 VanDerWaalsContact C-N 3.32Å; S203-S205 PolarHBondContact O-N 3.08Å; S203-M206 WeakPolarHBondContact O-CB 3.24Å; S203-M206 PolarHBondContact O-N 2.91Å; S203-V207 WeakPolarHBondContact O-CG2 3.3Å; S203-V207 PolarHBondContact O-N 3.01Å; S203-V243 WeakPolarHBondContact OG-CG2 3.35Å
204V92.5Very high90.9Very high76 Ų7665 Ų6546%0.46131%0.311SS..Hα-helixtrans-62.5-44.3177.6172.10000109.8I200 M206 V207 L208I200-V204 HydrophobicContact CG2-CG2 4.12Å; I200-V204 WeakPolarHBondContact O-CB 3.37Å; I200-V204 VanDerWaalsContact O-CG2 3.31Å; I200-V204 WeakPolarHBondContact O-CG2 3.21Å; I200-V204 PolarHBondContact O-N 3.25Å; V204-M206 PolarHBondContact O-N 3.34Å; V204-V207 PolarHBondContact O-N 3.43Å; V204-L208 HydrophobicContact CG1-CD1 3.94Å; V204-L208 HydrophobicContact CG1-CG 4.38Å; V204-L208 WeakPolarHBondContact O-CG 3.26Å; V204-L208 PolarHBondContact O-N 3.34Å
205S92.8Very high90.2Very high18 Ų1863.3 Ų63.313%0.12630%0.301CS..Hα-helixtrans-62.3-41177.5-59.10000112.2W201 T202 S203 L208 L209W201-S205 WeakPolarHBondContact O-CB 3.36Å; W201-S205 PolarHBondContact O-N 3Å; W201-S205 PolarHBondContact O-OG 3.43Å; T202-S205 PolarHBondContact O-N 3.18Å; S203-S205 VanDerWaalsContact C-N 3.32Å; S203-S205 PolarHBondContact O-N 3.08Å; S205-L208 PolarHBondContact O-N 3.45Å; S205-L209 WeakPolarHBondContact O-CB 3.4Å; S205-L209 VanDerWaalsContact O-CG 3.25Å; S205-L209 WeakPolarHBondContact O-CG 3.43Å; S205-L209 PolarHBondContact O-N 3.42Å
206M91.4Very high89.4Confident2 Ų270.5 Ų70.51%0.0133%0.327CS..Hα-helixtrans-58.6-47.9174-77.6-170.9-77.400112.2Q113 F114 L117 T202 S203 V204 L209 L210 I239Q113-M206 HydrophobicContact CB-CE 4.38Å; Q113-M206 HydrophobicContact CB-SD 3.64Å; Q113-M206 HydrophobicContact CG-SD 3.45Å; Q113-M206 WeakPolarHBondContact CG-SD 3.2Å; F114-M206 VanDerWaalsContact CA-SD 3.59Å; F114-M206 HydrophobicContact CB-CE 4.47Å; F114-M206 HydrophobicContact CB-CG 3.64Å; F114-M206 HydrophobicContact CB-SD 3.97Å; F114-M206 HydrophobicContact CD2-CG 3.71Å; F114-M206 HydrophobicContact CG-CG 4.17Å; F114-M206 PolarHBondContact N-SD 2.92Å; L117-M206 HydrophobicContact CD1-CB 4.09Å; L117-M206 HydrophobicContact CD1-CG 3.76Å; L117-M206 HydrophobicContact CD1-SD 3.85Å; T202-M206 WeakPolarHBondContact O-CB 3.37Å; T202-M206 WeakPolarHBondContact O-CG 3.45Å; T202-M206 PolarHBondContact O-N 2.87Å; S203-M206 WeakPolarHBondContact O-CB 3.24Å; S203-M206 PolarHBondContact O-N 2.91Å; V204-M206 PolarHBondContact O-N 3.34Å; M206-L209 PolarHBondContact O-N 3.35Å; M206-L210 WeakPolarHBondContact O-CB 3.47Å; M206-L210 WeakPolarHBondContact O-CG 3.31Å; M206-L210 PolarHBondContact O-N 2.84Å; M206-I239 HydrophobicContact CE-CG2 3.76Å
207V89.8Confident88.2Confident65 Ų6573.2 Ų73.239%0.39434%0.341SS..Hα-helixtrans-63.4-44.5-180172.90000110.8S203 V204 L210 Y211 A240S203-V207 WeakPolarHBondContact O-CG2 3.3Å; S203-V207 PolarHBondContact O-N 3.01Å; V204-V207 PolarHBondContact O-N 3.43Å; V207-L210 PolarHBondContact O-N 3.21Å; V207-Y211 WeakPolarHBondContact O-CB 3.21Å; V207-Y211 PolarHBondContact O-N 3.35Å; V207-A240 HydrophobicContact CG2-CB 4.26Å
208L90.1Very high86.8Confident87 Ų8775.5 Ų75.546%0.45534%0.344SS..Hα-helixtrans-64.3-41.3177.7-69.4174.8000112.5V204 S205 Y211 R212V204-L208 HydrophobicContact CG1-CD1 3.94Å; V204-L208 HydrophobicContact CG1-CG 4.38Å; V204-L208 WeakPolarHBondContact O-CG 3.26Å; V204-L208 PolarHBondContact O-N 3.34Å; S205-L208 PolarHBondContact O-N 3.45Å; L208-Y211 PolarHBondContact O-N 2.95Å; L208-R212 WeakPolarHBondContact O-CB 3.11Å; L208-R212 VanDerWaalsContact O-CG 3.3Å; L208-R212 WeakPolarHBondContact O-CG 3.5Å; L208-R212 PolarHBondContact O-N 3.39Å
209L88.1Confident85.4Confident54 Ų5482.1 Ų82.128%0.28337%0.366SS..Hα-helixtrans-61.9-46.7176.2-77.8174.6000111.5F114 L118 S205 M206 R212 H213F114-L209 HydrophobicContact CD2-CD1 4.09Å; F114-L209 HydrophobicContact CE2-CD1 3.49Å; F114-L209 VanDerWaalsContact CE2-CD1 3.49Å; F114-L209 HydrophobicContact CZ-CD1 4.37Å; L118-L209 HydrophobicContact CD2-CD1 3.75Å; S205-L209 WeakPolarHBondContact O-CB 3.4Å; S205-L209 VanDerWaalsContact O-CG 3.25Å; S205-L209 WeakPolarHBondContact O-CG 3.43Å; S205-L209 PolarHBondContact O-N 3.42Å; M206-L209 PolarHBondContact O-N 3.35Å; L209-R212 PolarHBondContact O-N 3.1Å; L209-H213 WeakPolarHBondContact O-CB 3.4Å; L209-H213 PolarHBondContact O-N 2.94Å
210L86.1Confident84Confident16 Ų1687.7 Ų87.78%0.08440%0.395CS..Hα-helixtrans-65.2-40.6177.9-75.4176.4000112.4L117 M206 V207 H213 Y214 I233 A236L117-L210 HydrophobicContact CD1-CD1 4.46Å; L117-L210 HydrophobicContact CD2-CD2 4.14Å; M206-L210 WeakPolarHBondContact O-CB 3.47Å; M206-L210 WeakPolarHBondContact O-CG 3.31Å; M206-L210 PolarHBondContact O-N 2.84Å; V207-L210 PolarHBondContact O-N 3.21Å; L210-H213 PolarHBondContact O-N 3.45Å; L210-Y214 VanDerWaalsContact O-CB 3.31Å; L210-Y214 WeakPolarHBondContact O-CB 3.4Å; L210-Y214 PolarHBondContact O-N 2.97Å; L210-I233 HydrophobicContact CD1-CG1 4.34Å; L210-I233 HydrophobicContact CD2-CG1 3.86Å; L210-A236 HydrophobicContact CD1-CB 3.17Å; L210-A236 HydrophobicContact CG-CB 4.44Å
211Y84.6Confident82.3Confident133 Ų13390 Ų9052%0.52240%0.402SS..Hα-helixtrans-60.8-46.8176.1-179-106.1000111.4V207 L208 H213 Y214 Q215V207-Y211 WeakPolarHBondContact O-CB 3.21Å; V207-Y211 PolarHBondContact O-N 3.35Å; L208-Y211 PolarHBondContact O-N 2.95Å; Y211-H213 VanDerWaalsContact C-N 3.33Å; Y211-H213 PolarHBondContact O-N 3.2Å; Y211-Y214 PolarHBondContact O-N 2.84Å; Y211-Q215 VanDerWaalsContact CE1-CD 3.41Å; Y211-Q215 HydrophobicContact CE1-CG 4.22Å; Y211-Q215 WeakPolarHBondContact O-CG 3.44Å; Y211-Q215 PolarHBondContact O-N 3.3Å; Y211-Q215 PolarHBondContact OH-NE2 3.37Å
212R84.6Confident80.4Confident154 Ų15486.6 Ų86.658%0.58140%0.403SS*.Hα-helixtrans-61.6-39.9175-72.5175.6-179.3-1791.3112.4L208 L209 R216L208-R212 WeakPolarHBondContact O-CB 3.11Å; L208-R212 VanDerWaalsContact O-CG 3.3Å; L208-R212 WeakPolarHBondContact O-CG 3.5Å; L208-R212 PolarHBondContact O-N 3.39Å; L209-R212 PolarHBondContact O-N 3.1Å; R212-R216 WeakPolarHBondContact O-CG 3.27Å; R212-R216 PolarHBondContact O-N 2.91Å; R212-R216 VanDerWaalsContact O-N 3.07Å
213H82.5Confident78.6Confident91 Ų9192.8 Ų92.842%0.42144%0.443SS..Hα-helixtrans-67.6-43.9178.3-171.467.5000111.8L209 L210 Y211 R216 L217L209-H213 WeakPolarHBondContact O-CB 3.4Å; L209-H213 PolarHBondContact O-N 2.94Å; L210-H213 PolarHBondContact O-N 3.45Å; Y211-H213 VanDerWaalsContact C-N 3.33Å; Y211-H213 PolarHBondContact O-N 3.2Å; H213-R216 PolarHBondContact O-N 3.31Å; H213-L217 VanDerWaalsContact NE2-CD1 3.32Å; H213-L217 WeakPolarHBondContact NE2-CD1 3.47Å; H213-L217 WeakPolarHBondContact O-CG 3.48Å; H213-L217 PolarHBondContact O-N 3.42Å
214Y78.8Confident76.7Confident113 Ų113101.3 Ų101.344%0.44348%0.482SS..Hα-helixtrans-59.2-47.3175179.2-99.6000111.7L210 Y211 R216 L217 Q218L210-Y214 VanDerWaalsContact O-CB 3.31Å; L210-Y214 WeakPolarHBondContact O-CB 3.4Å; L210-Y214 PolarHBondContact O-N 2.97Å; Y211-Y214 PolarHBondContact O-N 2.84Å; Y214-R216 PolarHBondContact O-N 2.9Å; Y214-L217 PolarHBondContact O-N 2.98Å; Y214-Q218 HydrophobicContact CD1-CG 4.23Å; Y214-Q218 HydrophobicContact CE1-CG 3.86Å; Y214-Q218 VanDerWaalsContact CE1-NE2 3.3Å; Y214-Q218 HydrophobicContact CE2-CG 4.23Å; Y214-Q218 VanDerWaalsContact CZ-CD 3.45Å; Y214-Q218 WeakPolarHBondContact O-CG 3.47Å; Y214-Q218 PolarHBondContact O-N 2.77Å; Y214-Q218 PolarHBondContact OH-NE2 2.77Å
215Q78.6Confident74.8Confident71 Ų71105.6 Ų105.633%0.33250%0.497SS..Hα-helixtrans-55.6-49.9174.3-75.1-178-35.800111.2Y211 L217 Q218 Y219Y211-Q215 VanDerWaalsContact CE1-CD 3.41Å; Y211-Q215 HydrophobicContact CE1-CG 4.22Å; Y211-Q215 WeakPolarHBondContact O-CG 3.44Å; Y211-Q215 PolarHBondContact O-N 3.3Å; Y211-Q215 PolarHBondContact OH-NE2 3.37Å; Q215-L217 PolarHBondContact O-N 3.45Å; Q215-Q218 PolarHBondContact O-N 2.93Å; Q215-Y219 WeakPolarHBondContact O-CD2 3.38Å; Q215-Y219 PolarHBondContact O-N 3.46Å
216R77.3Confident73Confident181 Ų181106.8 Ų106.868%0.68351%0.512SS*.Hα-helixtrans-60-41.3178.1-74.2-179.5-175.9-176.70.7113R212 H213 Y214 Y219 I220R212-R216 WeakPolarHBondContact O-CG 3.27Å; R212-R216 PolarHBondContact O-N 2.91Å; R212-R216 VanDerWaalsContact O-N 3.07Å; H213-R216 PolarHBondContact O-N 3.31Å; Y214-R216 PolarHBondContact O-N 2.9Å; R216-Y219 PolarHBondContact O-N 2.89Å; R216-I220 WeakPolarHBondContact O-CD1 3.46Å; R216-I220 WeakPolarHBondContact O-CG1 3.47Å
217L70.5Confident71.5Confident74 Ų74113 Ų11339%0.38755%0.55SS.*Hα-helixtrans-68.2-40179.3-76.9175.4000112.4H213 Y214 Q215 Y219 I220 F221H213-L217 VanDerWaalsContact NE2-CD1 3.32Å; H213-L217 WeakPolarHBondContact NE2-CD1 3.47Å; H213-L217 WeakPolarHBondContact O-CG 3.48Å; H213-L217 PolarHBondContact O-N 3.42Å; Y214-L217 PolarHBondContact O-N 2.98Å; Q215-L217 PolarHBondContact O-N 3.45Å; L217-Y219 PolarHBondContact O-N 3.15Å; L217-I220 PolarHBondContact O-N 2.93Å; L217-F221 PolarHBondContact O-N 3.23Å
218Q66.6Low70.2Confident119 Ų119118.5 Ų118.556%0.55656%0.564SS**Hα-helixtrans-60.1-30.1176.7-76-165.5-44.800113Y214 Q215Y214-Q218 HydrophobicContact CD1-CG 4.23Å; Y214-Q218 HydrophobicContact CE1-CG 3.86Å; Y214-Q218 VanDerWaalsContact CE1-NE2 3.3Å; Y214-Q218 HydrophobicContact CE2-CG 4.23Å; Y214-Q218 VanDerWaalsContact CZ-CD 3.45Å; Y214-Q218 WeakPolarHBondContact O-CG 3.47Å; Y214-Q218 PolarHBondContact O-N 2.77Å; Y214-Q218 PolarHBondContact OH-NE2 2.77Å; Q215-Q218 PolarHBondContact O-N 2.93Å
219Y66.1Low69Low205 Ų205115.3 Ų115.380%0.80455%0.552SS**Hα-helixtrans-75.8-21.3175-75-70.4000113.8Q215 R216 L217Q215-Y219 WeakPolarHBondContact O-CD2 3.38Å; Q215-Y219 PolarHBondContact O-N 3.46Å; R216-Y219 PolarHBondContact O-N 2.89Å; L217-Y219 PolarHBondContact O-N 3.15Å
220I65.3Low68.2Low117 Ų117119.1 Ų119.160%0.656%0.563SS**Hα-helixtrans-112.6-33.2-167.9-55.3171.4000112.5R216 L217R216-I220 WeakPolarHBondContact O-CD1 3.46Å; R216-I220 WeakPolarHBondContact O-CG1 3.47Å; L217-I220 PolarHBondContact O-N 2.93Å
221F58.8Low67.6Low123 Ų123120.8 Ų120.854%0.53958%0.58SS.*SBendtrans-138.1137.2-174.9-72.2-79.3000113.5L217L217-F221 PolarHBondContact O-N 3.23Å
222P55.9Low67.1Low105 Ų105117.5 Ų117.568%0.68257%0.569SS**  trans-62.7155.1171.2-17.729.6000112.7H224P222-H224 PolarHBondContact O-N 3.48Å
223P57Low66.9Low136 Ų136112.5 Ų112.588%0.88355%0.553SS**THydrogen-bonded Turntrans-6812.9-164.225.5-34.5000117.6
224H53.2Low66.8Low187 Ų187111 Ų11187%0.86654%0.544SS*.THydrogen-bonded Turntrans-98.1-4.6-174.3-111.173000116.1P222P222-H224 PolarHBondContact O-N 3.48Å
225Q51.8Low67Low166 Ų166107 Ų10778%0.77653%0.534SS*.SBendtrans-116.795.4176.2-77.7-178-3.100110.8
226G56.2Low67.3Low44 Ų44103.7 Ų103.745%0.45452%0.519SS..  trans176.739.6176.700000118.7R228 G229 Y230G226-R228 PolarHBondContact O-N 3.06Å; G226-G229 PolarHBondContact O-N 3.44Å; G226-Y230 WeakPolarHBondContact O-CB 3.31Å; G226-Y230 PolarHBondContact O-N 3.4Å
227T58.9Low67.8Low132 Ų13299.3 Ų99.381%0.8151%0.506SS*.Hα-helixtrans-54.5-37.2170.948.50000112.1A231T227-A231 PolarHBondContact O-N 3.35Å; T227-A231 VanDerWaalsContact O-N 3.15Å
228R63.6Low68.6Low181 Ų18196.3 Ų96.368%0.68349%0.491SS*.Hα-helixtrans-68-51176.7-176.3174.4177.6167.60.5113.2G226 Y230 A231 E232G226-R228 PolarHBondContact O-N 3.06Å; R228-Y230 VanDerWaalsContact C-N 3.25Å; R228-Y230 PolarHBondContact O-N 3.02Å; R228-A231 PolarHBondContact O-N 3.12Å; R228-A231 VanDerWaalsContact O-N 3.14Å; R228-E232 WeakPolarHBondContact CG-OE1 3.37Å; R228-E232 IonicContact CZ-OE1 2.75Å; R228-E232 IonicContact NE-OE1 3.84Å; R228-E232 PolarHBondContact NE-OE1 3.37Å; R228-E232 IonicContact NH2-OE1 3.86Å; R228-E232 WeakPolarHBondContact O-CG 2.82Å; R228-E232 PolarHBondContact O-N 3.31Å
229G65.5Low69.5Low20 Ų2090.9 Ų90.921%0.20647%0.466CS..Hα-helixtrans-60.4-38.3178.600000111.8G226 E232 I233G226-G229 PolarHBondContact O-N 3.44Å; G229-E232 PolarHBondContact O-N 2.98Å; G229-I233 WeakPolarHBondContact O-CB 3.43Å; G229-I233 VanDerWaalsContact O-CG1 3.25Å; G229-I233 WeakPolarHBondContact O-CG1 3.36Å; G229-I233 PolarHBondContact O-N 2.91Å
230Y70.3Confident70.7Confident133 Ų13382 Ų8252%0.52244%0.435SS..Hα-helixtrans-63-42.3174.9-175.6-102.8000113G226 R228 R234G226-Y230 WeakPolarHBondContact O-CB 3.31Å; G226-Y230 PolarHBondContact O-N 3.4Å; R228-Y230 VanDerWaalsContact C-N 3.25Å; R228-Y230 PolarHBondContact O-N 3.02Å; Y230-R234 WeakPolarHBondContact O-CB 3.36Å; Y230-R234 PolarHBondContact O-N 3.41Å; Y230-R234 PolarHBondContact OH-NH2 2.94Å
231A73.6Confident72Confident51 Ų5180.2 Ų80.242%0.42143%0.425SS..Hα-helixtrans-64.7-41.3176.700000112.4T227 R228 R234 A235T227-A231 PolarHBondContact O-N 3.35Å; T227-A231 VanDerWaalsContact O-N 3.15Å; R228-A231 PolarHBondContact O-N 3.12Å; R228-A231 VanDerWaalsContact O-N 3.14Å; A231-R234 PolarHBondContact O-N 3.1Å; A231-A235 WeakPolarHBondContact O-CB 3.37Å; A231-A235 PolarHBondContact O-N 3.23Å
232E74.2Confident73.6Confident65 Ų6574.4 Ų74.430%0.30440%0.4SS..Hα-helixtrans-65.9-44.3178.2-70.9173.1-170.300111.7L117 R228 G229 R234 A235 A236L117-E232 HydrophobicContact CD2-CB 4.07Å; R228-E232 WeakPolarHBondContact CG-OE1 3.37Å; R228-E232 IonicContact CZ-OE1 2.75Å; R228-E232 IonicContact NE-OE1 3.84Å; R228-E232 PolarHBondContact NE-OE1 3.37Å; R228-E232 IonicContact NH2-OE1 3.86Å; R228-E232 WeakPolarHBondContact O-CG 2.82Å; R228-E232 PolarHBondContact O-N 3.31Å; G229-E232 PolarHBondContact O-N 2.98Å; E232-R234 PolarHBondContact O-N 2.9Å; E232-A235 PolarHBondContact O-N 3.45Å; E232-A236 PolarHBondContact O-N 3.01Å; E232-A236 VanDerWaalsContact O-N 3.13Å
233I79.4Confident75.3Confident49 Ų4969.7 Ų69.725%0.25137%0.369SS..Hα-helixtrans-59.5-46.8174.1-70.3167.4000110.6L210 G229 A235 A236 H237L210-I233 HydrophobicContact CD1-CG1 4.34Å; L210-I233 HydrophobicContact CD2-CG1 3.86Å; G229-I233 WeakPolarHBondContact O-CB 3.43Å; G229-I233 VanDerWaalsContact O-CG1 3.25Å; G229-I233 WeakPolarHBondContact O-CG1 3.36Å; G229-I233 PolarHBondContact O-N 2.91Å; I233-A235 PolarHBondContact O-N 2.62Å; I233-A236 PolarHBondContact O-N 3.13Å; I233-H237 WeakPolarHBondContact CG2-ND1 3.24Å; I233-H237 PolarHBondContact O-N 3.29Å; I233-H237 PolarHBondContact O-ND1 3.44Å
234R80.7Confident77.1Confident59 Ų5967.2 Ų67.222%0.22335%0.351CS..Hα-helixtrans-60.9-45.1179.7-176.3-177.1-73.7-163.5-6.6111.5Y230 A231 E232 A236 H237 S238Y230-R234 WeakPolarHBondContact O-CB 3.36Å; Y230-R234 PolarHBondContact O-N 3.41Å; Y230-R234 PolarHBondContact OH-NH2 2.94Å; A231-R234 PolarHBondContact O-N 3.1Å; E232-R234 PolarHBondContact O-N 2.9Å; R234-A236 PolarHBondContact O-N 2.82Å; R234-H237 PolarHBondContact O-N 2.69Å; R234-S238 PolarHBondContact O-N 2.97Å; R234-S238 PolarHBondContact O-OG 3.3Å
235A83.2Confident78.9Confident29 Ų2959.4 Ų59.424%0.2432%0.317CS..Hα-helixtrans-61.2-43.8179.800000112.3A231 E232 I233 S238 I239A231-A235 WeakPolarHBondContact O-CB 3.37Å; A231-A235 PolarHBondContact O-N 3.23Å; E232-A235 PolarHBondContact O-N 3.45Å; I233-A235 PolarHBondContact O-N 2.62Å; A235-S238 WeakPolarHBondContact O-CB 3.33Å; A235-S238 PolarHBondContact O-N 3.04Å; A235-I239 PolarHBondContact O-N 2.93Å; A235-I239 VanDerWaalsContact O-N 3.13Å
236A85Confident80.8Confident1 Ų152.4 Ų52.41%0.00828%0.283CS..Hα-helixtrans-64.2-42.1176.200000112.4L117 L210 E232 I233 R234 S238 I239 A240L117-A236 HydrophobicContact CD1-CB 3.85Å; L210-A236 HydrophobicContact CD1-CB 3.17Å; L210-A236 HydrophobicContact CG-CB 4.44Å; E232-A236 PolarHBondContact O-N 3.01Å; E232-A236 VanDerWaalsContact O-N 3.13Å; I233-A236 PolarHBondContact O-N 3.13Å; R234-A236 PolarHBondContact O-N 2.82Å; A236-S238 VanDerWaalsContact C-N 3.31Å; A236-S238 PolarHBondContact O-N 3.34Å; A236-I239 PolarHBondContact O-N 3.48Å; A236-A240 WeakPolarHBondContact O-CB 3.17Å; A236-A240 PolarHBondContact O-N 3Å
237H87.6Confident82.5Confident90 Ų9051.3 Ų51.342%0.41727%0.268SS..Hα-helixtrans-62.2-38.8175.4-79.780.2000111.8I233 R234 I239 M241 R292I233-H237 WeakPolarHBondContact CG2-ND1 3.24Å; I233-H237 PolarHBondContact O-N 3.29Å; I233-H237 PolarHBondContact O-ND1 3.44Å; R234-H237 PolarHBondContact O-N 2.69Å; H237-I239 VanDerWaalsContact C-N 3.33Å; H237-I239 PolarHBondContact O-N 3Å; H237-M241 WeakPolarHBondContact O-CB 3.33Å; H237-M241 VanDerWaalsContact O-CG 3.24Å; H237-M241 WeakPolarHBondContact O-CG 3.41Å; H237-M241 PolarHBondContact O-N 3.1Å; H237-R292 VanDerWaalsContact C-NH1 3.26Å; H237-R292 PolarHBondContact O-NH1 3.33Å; H237-R292 VanDerWaalsContact O-NH1 3.11Å
238S87.1Confident84.1Confident11 Ų1147.8 Ų47.88%0.07725%0.249CC..Hα-helixtrans-59.6-43.9174.5-56.20000112R234 A235 A236 M241 L242 R292R234-S238 PolarHBondContact O-N 2.97Å; R234-S238 PolarHBondContact O-OG 3.3Å; A235-S238 WeakPolarHBondContact O-CB 3.33Å; A235-S238 PolarHBondContact O-N 3.04Å; A236-S238 VanDerWaalsContact C-N 3.31Å; A236-S238 PolarHBondContact O-N 3.34Å; S238-M241 PolarHBondContact O-N 2.88Å; S238-L242 WeakPolarHBondContact O-CB 3.34Å; S238-L242 PolarHBondContact O-N 3.36Å; S238-R292 WeakPolarHBondContact OG-CB 3.27Å; S238-R292 WeakPolarHBondContact OG-CD 3.23Å
239I87Confident85.4Confident5 Ų541.1 Ų41.13%0.02623%0.225CC..Hα-helixtrans-73.2-39.1-179.5-72.2173.3000111.5L109 Q113 M206 A235 A236 H237 M241 L242 V243L109-I239 HydrophobicContact CD1-CD1 4.4Å; L109-I239 HydrophobicContact CG-CD1 4.15Å; Q113-I239 HydrophobicContact CB-CD1 3.35Å; Q113-I239 HydrophobicContact CG-CD1 3.47Å; Q113-I239 VanDerWaalsContact CG-CD1 3.47Å; M206-I239 HydrophobicContact CE-CG2 3.76Å; A235-I239 PolarHBondContact O-N 2.93Å; A235-I239 VanDerWaalsContact O-N 3.13Å; A236-I239 PolarHBondContact O-N 3.48Å; H237-I239 VanDerWaalsContact C-N 3.33Å; H237-I239 PolarHBondContact O-N 3Å; I239-M241 VanDerWaalsContact C-N 3.31Å; I239-M241 PolarHBondContact O-N 3.23Å; I239-L242 WeakPolarHBondContact O-CB 3.37Å; I239-L242 PolarHBondContact O-N 3.46Å; I239-V243 HydrophobicContact CG2-CG2 4.43Å; I239-V243 WeakPolarHBondContact O-CG2 3.4Å; I239-V243 PolarHBondContact O-N 3.46Å
240A91.2Very high86.6Confident17 Ų1741.9 Ų41.914%0.1422%0.222CC..Hα-helixtrans-58.9-44.5172.700000111.2V207 A236 L242 V243 V244V207-A240 HydrophobicContact CG2-CB 4.26Å; A236-A240 WeakPolarHBondContact O-CB 3.17Å; A236-A240 PolarHBondContact O-N 3Å; A240-L242 PolarHBondContact O-N 3.23Å; A240-V243 PolarHBondContact O-N 2.95Å; A240-V244 VanDerWaalsContact O-CG2 3.28Å; A240-V244 WeakPolarHBondContact O-CG2 3.11Å; A240-V244 PolarHBondContact O-N 3.2Å
241M91.4Very high87.6Confident81 Ų8140.1 Ų40.140%0.39922%0.221SC..Hα-helixtrans-61.8-44.1174.4-70.8-60.3-63.300111.8H237 S238 I239 V243 V244 T245 R292H237-M241 WeakPolarHBondContact O-CB 3.33Å; H237-M241 VanDerWaalsContact O-CG 3.24Å; H237-M241 WeakPolarHBondContact O-CG 3.41Å; H237-M241 PolarHBondContact O-N 3.1Å; S238-M241 PolarHBondContact O-N 2.88Å; I239-M241 VanDerWaalsContact C-N 3.31Å; I239-M241 PolarHBondContact O-N 3.23Å; M241-V243 VanDerWaalsContact C-N 3.32Å; M241-V243 PolarHBondContact O-N 2.91Å; M241-V244 PolarHBondContact O-N 3.42Å; M241-T245 WeakPolarHBondContact O-CB 3.37Å; M241-T245 PolarHBondContact O-N 2.88Å; M241-T245 PolarHBondContact O-OG1 3.37Å; M241-R292 VanDerWaalsContact CG-NH1 3.34Å
242L92.2Very high88.5Confident1 Ų141.6 Ų41.61%0.00522%0.221CC..Hα-helixtrans-58-45.5176.9-178.569.9000111.7M58 T106 L109 S238 I239 A240 T245 F246 F281 S285 L288 L289M58-L242 HydrophobicContact CE-CD1 4.19Å; M58-L242 HydrophobicContact CE-CD2 4.25Å; T106-L242 HydrophobicContact CG2-CD2 4.25Å; T106-L242 HydrophobicContact CG2-CG 4.44Å; L109-L242 HydrophobicContact CD2-CD2 3.77Å; S238-L242 WeakPolarHBondContact O-CB 3.34Å; S238-L242 PolarHBondContact O-N 3.36Å; I239-L242 WeakPolarHBondContact O-CB 3.37Å; I239-L242 PolarHBondContact O-N 3.46Å; A240-L242 PolarHBondContact O-N 3.23Å; L242-T245 PolarHBondContact O-N 3.46Å; L242-F246 PolarHBondContact O-N 3.45Å; L242-F281 HydrophobicContact CD1-CE2 3.65Å; L242-F281 HydrophobicContact CD1-CZ 3.84Å; L242-F281 HydrophobicContact CG-CE2 4.21Å; L242-F281 HydrophobicContact CG-CZ 4.31Å; L242-S285 VanDerWaalsContact CD1-CB 3.46Å; L242-L288 HydrophobicContact CD1-CD1 4.33Å; L242-L289 HydrophobicContact CD2-CD2 4.35Å
243V92.7Very high89.2Confident5 Ų540.3 Ų40.33%0.0322%0.215CC..Hα-helixtrans-65.4-45.1178.1169.40000111.2M199 S203 I239 A240 M241 T245 F246 V247M199-V243 HydrophobicContact CB-CG1 3.94Å; M199-V243 HydrophobicContact CB-CG2 4.26Å; M199-V243 HydrophobicContact CE-CB 4.37Å; M199-V243 HydrophobicContact CE-CG1 4.17Å; M199-V243 HydrophobicContact CE-CG2 3.97Å; S203-V243 WeakPolarHBondContact OG-CG2 3.35Å; I239-V243 HydrophobicContact CG2-CG2 4.43Å; I239-V243 WeakPolarHBondContact O-CG2 3.4Å; I239-V243 PolarHBondContact O-N 3.46Å; A240-V243 PolarHBondContact O-N 2.95Å; M241-V243 VanDerWaalsContact C-N 3.32Å; M241-V243 PolarHBondContact O-N 2.91Å; V243-T245 VanDerWaalsContact C-N 3.32Å; V243-T245 PolarHBondContact O-N 2.66Å; V243-F246 WeakPolarHBondContact O-CB 3.24Å; V243-F246 PolarHBondContact O-N 2.91Å; V243-V247 HydrophobicContact CG1-CG2 4.21Å; V243-V247 WeakPolarHBondContact O-CB 3.48Å; V243-V247 VanDerWaalsContact O-CG2 3.29Å; V243-V247 WeakPolarHBondContact O-CG2 3.47Å; V243-V247 PolarHBondContact O-N 3.46Å
244V93.8Very high89.6Confident85 Ų8538.7 Ų38.752%0.51521%0.208SC..Hα-helixtrans-58.8-45.8175170.40000110.6A240 M241 F246 V247 S248A240-V244 VanDerWaalsContact O-CG2 3.28Å; A240-V244 WeakPolarHBondContact O-CG2 3.11Å; A240-V244 PolarHBondContact O-N 3.2Å; M241-V244 PolarHBondContact O-N 3.42Å; V244-F246 PolarHBondContact O-N 3.46Å; V244-V247 PolarHBondContact O-N 3.41Å; V244-S248 WeakPolarHBondContact O-CB 3.39Å; V244-S248 PolarHBondContact O-N 3.48Å; V244-S248 PolarHBondContact O-OG 2.75Å
245T91.7Very high89.9Confident23 Ų2340.4 Ų40.414%0.14122%0.22CC..Hα-helixtrans-60-45176.2-59.50000111.6M241 L242 V243 F249 F281 I284M241-T245 WeakPolarHBondContact O-CB 3.37Å; M241-T245 PolarHBondContact O-N 2.88Å; M241-T245 PolarHBondContact O-OG1 3.37Å; L242-T245 PolarHBondContact O-N 3.46Å; V243-T245 VanDerWaalsContact C-N 3.32Å; V243-T245 PolarHBondContact O-N 2.66Å; T245-F249 HydrophobicContact CG2-CD2 3.68Å; T245-F249 HydrophobicContact CG2-CE2 3.46Å; T245-F249 VanDerWaalsContact CG2-CE2 3.46Å; T245-F249 WeakPolarHBondContact O-CD2 3.39Å; T245-F249 PolarHBondContact O-N 3.36Å; T245-F249 VanDerWaalsContact O-N 3.15Å; T245-F281 HydrophobicContact CG2-CD2 4.29Å; T245-I284 HydrophobicContact CG2-CB 4.29Å; T245-I284 HydrophobicContact CG2-CG2 3.81Å
246F90.9Very high89.9Confident18 Ų1840 Ų408%0.07922%0.216CC..Hα-helixtrans-58.8-54.3176.6-173.9-88.7000111.9L103 I196 M199 L242 V243 V244 S248 F249 Y250 F281L103-F246 HydrophobicContact CB-CZ 4.11Å; L103-F246 HydrophobicContact CD1-CE1 3.4Å; L103-F246 VanDerWaalsContact CD1-CE1 3.4Å; L103-F246 HydrophobicContact CD1-CE2 4.42Å; L103-F246 HydrophobicContact CD1-CZ 3.34Å; L103-F246 HydrophobicContact CG-CZ 4.3Å; I196-F246 HydrophobicContact CD1-CE1 4.37Å; I196-F246 HydrophobicContact CG1-CE1 4.08Å; M199-F246 HydrophobicContact CE-CB 3.91Å; M199-F246 HydrophobicContact CE-CD1 3.58Å; M199-F246 HydrophobicContact CE-CE1 4.28Å; M199-F246 HydrophobicContact CE-CG 3.74Å; M199-F246 HydrophobicContact SD-CD1 4.33Å; M199-F246 HydrophobicContact SD-CE1 4.49Å; L242-F246 PolarHBondContact O-N 3.45Å; V243-F246 WeakPolarHBondContact O-CB 3.24Å; V243-F246 PolarHBondContact O-N 2.91Å; V244-F246 PolarHBondContact O-N 3.46Å; F246-S248 VanDerWaalsContact C-N 3.33Å; F246-S248 PolarHBondContact O-N 3.04Å; F246-F249 PolarHBondContact O-N 2.72Å; F246-Y250 VanDerWaalsContact O-CB 3.32Å; F246-Y250 WeakPolarHBondContact O-CB 3.35Å; F246-Y250 PolarHBondContact O-N 2.85Å; F246-F281 VanDerWaalsContact CA-CD2 3.49Å; F246-F281 HydrophobicContact CB-CD2 3.75Å; F246-F281 HydrophobicContact CB-CE2 3.48Å; F246-F281 VanDerWaalsContact CB-CE2 3.48Å; F246-F281 HydrophobicContact CB-CZ 4.08Å; F246-F281 AromaticContact CD2-CD1 3.65Å; F246-F281 HydrophobicContact CD2-CD1 3.65Å; F246-F281 AromaticContact CD2-CD2 3.77Å; F246-F281 HydrophobicContact CD2-CD2 3.77Å; F246-F281 AromaticContact CD2-CE1 3.52Å; F246-F281 HydrophobicContact CD2-CE1 3.52Å; F246-F281 AromaticContact CD2-CE2 3.63Å; F246-F281 HydrophobicContact CD2-CE2 3.63Å; F246-F281 AromaticContact CD2-CG 3.77Å; F246-F281 HydrophobicContact CD2-CG 3.77Å; F246-F281 AromaticContact CD2-CZ 3.48Å; F246-F281 HydrophobicContact CD2-CZ 3.48Å; F246-F281 VanDerWaalsContact CD2-CZ 3.48Å; F246-F281 HydrophobicContact CE2-CD1 4.09Å; F246-F281 HydrophobicContact CE2-CE1 4.05Å; F246-F281 HydrophobicContact CE2-CG 4.5Å; F246-F281 HydrophobicContact CE2-CZ 4.39Å; F246-F281 HydrophobicContact CG-CD2 4.24Å; F246-F281 HydrophobicContact CG-CE2 4.06Å; F246-F281 HydrophobicContact CG-CZ 4.24Å
247V92.2Very high89.8Confident22 Ų2242.6 Ų42.613%0.13323%0.227CC..Hα-helixtrans-61.9-42.3-176.1173.70000110.6I196 I200 V243 V244 Y250 L251I196-V247 HydrophobicContact CG2-CG2 3.97Å; I200-V247 HydrophobicContact CD1-CG1 4.49Å; I200-V247 HydrophobicContact CD1-CG2 4.34Å; I200-V247 HydrophobicContact CG1-CG2 4.2Å; V243-V247 HydrophobicContact CG1-CG2 4.21Å; V243-V247 WeakPolarHBondContact O-CB 3.48Å; V243-V247 VanDerWaalsContact O-CG2 3.29Å; V243-V247 WeakPolarHBondContact O-CG2 3.47Å; V243-V247 PolarHBondContact O-N 3.46Å; V244-V247 PolarHBondContact O-N 3.41Å; V247-Y250 PolarHBondContact O-N 2.91Å; V247-L251 HydrophobicContact CG1-CD1 3.89Å; V247-L251 HydrophobicContact CG1-CG 4.27Å; V247-L251 WeakPolarHBondContact O-CB 3.24Å; V247-L251 VanDerWaalsContact O-CG 3.27Å; V247-L251 WeakPolarHBondContact O-CG 3.32Å; V247-L251 PolarHBondContact O-N 3Å
248S92.9Very high89.6Confident58 Ų5842.6 Ų42.641%0.40623%0.229SC..Hα-helixtrans-60.9-50.2177.6-65.10000112.4V244 F246 Y250 L251 L252V244-S248 WeakPolarHBondContact O-CB 3.39Å; V244-S248 PolarHBondContact O-N 3.48Å; V244-S248 PolarHBondContact O-OG 2.75Å; F246-S248 VanDerWaalsContact C-N 3.33Å; F246-S248 PolarHBondContact O-N 3.04Å; S248-Y250 VanDerWaalsContact C-N 3.33Å; S248-Y250 PolarHBondContact O-N 3.09Å; S248-L251 PolarHBondContact O-N 2.59Å; S248-L252 WeakPolarHBondContact O-CB 3.26Å; S248-L252 VanDerWaalsContact O-CG 3.27Å; S248-L252 WeakPolarHBondContact O-CG 3.11Å; S248-L252 PolarHBondContact O-N 3.04Å
249F91.3Very high89.3Confident41 Ų4145.3 Ų45.318%0.1824%0.242CC..Hα-helixtrans-66.7-35.5178.6-74.3-58.6000112.6T245 F246 L252 H253 L277 F281 I284T245-F249 HydrophobicContact CG2-CD2 3.68Å; T245-F249 HydrophobicContact CG2-CE2 3.46Å; T245-F249 VanDerWaalsContact CG2-CE2 3.46Å; T245-F249 WeakPolarHBondContact O-CD2 3.39Å; T245-F249 PolarHBondContact O-N 3.36Å; T245-F249 VanDerWaalsContact O-N 3.15Å; F246-F249 PolarHBondContact O-N 2.72Å; F249-L252 HydrophobicContact CD1-CD1 4.43Å; F249-H253 VanDerWaalsContact O-CB 3.31Å; F249-H253 WeakPolarHBondContact O-CB 3.33Å; F249-H253 PolarHBondContact O-N 2.79Å; F249-L277 HydrophobicContact CD1-CD2 3.96Å; F249-L277 HydrophobicContact CE1-CD2 4.43Å; F249-F281 HydrophobicContact CD2-CB 4.2Å; F249-I284 HydrophobicContact CE2-CD1 3.48Å; F249-I284 VanDerWaalsContact CE2-CD1 3.48Å; F249-I284 HydrophobicContact CZ-CD1 3.53Å
250Y89.5Confident88.8Confident36 Ų3648.1 Ų48.114%0.14126%0.255CS..Hα-helixtrans-61.2-50.7174.3179.6-94.4000111.7D192 I196 F246 V247 S248 L252 H253 C254D192-Y250 HydrophobicContact CB-CE2 3.88Å; D192-Y250 WeakPolarHBondContact CB-OH 3.31Å; D192-Y250 WeakPolarHBondContact OD2-CE2 3.41Å; D192-Y250 PolarHBondContact OD2-OH 2.88Å; I196-Y250 HydrophobicContact CD1-CD1 3.31Å; I196-Y250 HydrophobicContact CD1-CD2 4.16Å; I196-Y250 HydrophobicContact CD1-CE1 3.42Å; I196-Y250 VanDerWaalsContact CD1-CE1 3.42Å; I196-Y250 HydrophobicContact CD1-CE2 4.25Å; I196-Y250 HydrophobicContact CD1-CG 3.71Å; F246-Y250 VanDerWaalsContact O-CB 3.32Å; F246-Y250 WeakPolarHBondContact O-CB 3.35Å; F246-Y250 PolarHBondContact O-N 2.85Å; V247-Y250 PolarHBondContact O-N 2.91Å; S248-Y250 VanDerWaalsContact C-N 3.33Å; S248-Y250 PolarHBondContact O-N 3.09Å; Y250-L252 PolarHBondContact O-N 3.42Å; Y250-H253 WeakPolarHBondContact O-CB 3.2Å; Y250-H253 PolarHBondContact O-N 3.31Å; Y250-C254 WeakPolarHBondContact CE1-SG 3.41Å; Y250-C254 PolarHBondContact O-N 3.43Å; Y250-C254 PolarHBondContact O-SG 2.86Å
251L91.8Very high88Confident96 Ų9652.4 Ų52.450%0.50328%0.275SS..Hα-helixtrans-61.7-43.6179.1-70.2175000111.7V247 S248 H253 C254 I255V247-L251 HydrophobicContact CG1-CD1 3.89Å; V247-L251 HydrophobicContact CG1-CG 4.27Å; V247-L251 WeakPolarHBondContact O-CB 3.24Å; V247-L251 VanDerWaalsContact O-CG 3.27Å; V247-L251 WeakPolarHBondContact O-CG 3.32Å; V247-L251 PolarHBondContact O-N 3Å; S248-L251 PolarHBondContact O-N 2.59Å; L251-H253 VanDerWaalsContact C-N 3.33Å; L251-H253 PolarHBondContact O-N 3.43Å; L251-C254 PolarHBondContact O-N 2.93Å; L251-I255 VanDerWaalsContact O-CG1 3.28Å; L251-I255 WeakPolarHBondContact O-CG1 3.44Å; L251-I255 PolarHBondContact O-N 3.21Å
252L91.9Very high87.3Confident81 Ų8153 Ų5342%0.42428%0.283SS..Hα-helixtrans-59.4-44.7174.8-72.1170.5000111.4S248 F249 Y250 C254 I255 C256 L277S248-L252 WeakPolarHBondContact O-CB 3.26Å; S248-L252 VanDerWaalsContact O-CG 3.27Å; S248-L252 WeakPolarHBondContact O-CG 3.11Å; S248-L252 PolarHBondContact O-N 3.04Å; F249-L252 HydrophobicContact CD1-CD1 4.43Å; Y250-L252 PolarHBondContact O-N 3.42Å; L252-C254 PolarHBondContact O-N 2.98Å; L252-I255 PolarHBondContact O-N 3.31Å; L252-C256 PolarHBondContact O-N 3.33Å; L252-C256 PolarHBondContact O-SG 2.88Å; L252-C256 VanDerWaalsContact O-SG 3.37Å; L252-L277 HydrophobicContact CB-CD1 4Å; L252-L277 HydrophobicContact CB-CD2 3.87Å; L252-L277 HydrophobicContact CD1-CD2 4.05Å
253H89.1Confident86.2Confident38 Ų3859.1 Ų59.118%0.17631%0.309CS..Hα-helixtrans-62.3-42.5176.7178.1-85.8000111.8F249 Y250 L251 C256 F257 L277 T278F249-H253 VanDerWaalsContact O-CB 3.31Å; F249-H253 WeakPolarHBondContact O-CB 3.33Å; F249-H253 PolarHBondContact O-N 2.79Å; Y250-H253 WeakPolarHBondContact O-CB 3.2Å; Y250-H253 PolarHBondContact O-N 3.31Å; L251-H253 VanDerWaalsContact C-N 3.33Å; L251-H253 PolarHBondContact O-N 3.43Å; H253-C256 PolarHBondContact O-N 2.89Å; H253-F257 VanDerWaalsContact O-CB 3.31Å; H253-F257 WeakPolarHBondContact O-CB 3.42Å; H253-F257 PolarHBondContact O-N 2.97Å; H253-L277 HydrophobicContact CB-CB 4.35Å; H253-T278 PolarHBondContact CD2-OG1 3.09Å; H253-T278 VanDerWaalsContact CD2-OG1 3.23Å; H253-T278 PolarHBondContact NE2-OG1 2.98Å
254C88Confident84.7Confident16 Ų1663.1 Ų63.111%0.10833%0.334CS..Hα-helixtrans-61.6-43.1175.2-69.20000112.2F189 Y250 L251 L252 F257 I258F189-C254 HydrophobicContact CE1-CB 4.48Å; Y250-C254 WeakPolarHBondContact CE1-SG 3.41Å; Y250-C254 PolarHBondContact O-N 3.43Å; Y250-C254 PolarHBondContact O-SG 2.86Å; L251-C254 PolarHBondContact O-N 2.93Å; L252-C254 PolarHBondContact O-N 2.98Å; C254-F257 PolarHBondContact O-N 3.11Å; C254-I258 VanDerWaalsContact O-CG1 3.3Å; C254-I258 WeakPolarHBondContact O-CG1 3.49Å; C254-I258 PolarHBondContact O-N 3.38Å
255I87.1Confident82.9Confident94 Ų9466.7 Ų66.748%0.48235%0.35SS..Hα-helixtrans-61.2-50175.7-67.4163000109.8L251 L252 F257 I258 L259L251-I255 VanDerWaalsContact O-CG1 3.28Å; L251-I255 WeakPolarHBondContact O-CG1 3.44Å; L251-I255 PolarHBondContact O-N 3.21Å; L252-I255 PolarHBondContact O-N 3.31Å; I255-F257 VanDerWaalsContact C-N 3.27Å; I255-F257 PolarHBondContact O-N 3.31Å; I255-I258 PolarHBondContact O-N 3.3Å; I255-L259 HydrophobicContact CG2-CD1 3.85Å; I255-L259 HydrophobicContact CG2-CG 4.24Å; I255-L259 WeakPolarHBondContact O-CB 3.34Å; I255-L259 VanDerWaalsContact O-CG 3.24Å; I255-L259 WeakPolarHBondContact O-CG 3.35Å; I255-L259 PolarHBondContact O-N 3.48Å
256C84.3Confident81.4Confident20 Ų2068.1 Ų68.114%0.13536%0.361CS..Hα-helixtrans-57.7-40.4176.6-71.90000112.3L252 H253 L259 H260 L270 L277L252-C256 PolarHBondContact O-N 3.33Å; L252-C256 PolarHBondContact O-SG 2.88Å; L252-C256 VanDerWaalsContact O-SG 3.37Å; H253-C256 PolarHBondContact O-N 2.89Å; C256-L259 PolarHBondContact O-N 2.98Å; C256-H260 WeakPolarHBondContact O-CB 3.46Å; C256-H260 PolarHBondContact O-N 3.44Å; C256-L270 HydrophobicContact CB-CD1 4.02Å; C256-L277 HydrophobicContact CB-CD1 4.23Å; C256-L277 WeakPolarHBondContact SG-CD1 3.1Å
257F82.6Confident80.3Confident56 Ų5674.7 Ų74.725%0.24639%0.385CS..Hα-helixtrans-66-43177.6-180-95.2000112.4M185 H253 C254 I255 H260 I261M185-F257 HydrophobicContact CE-CD1 4.41Å; M185-F257 HydrophobicContact CE-CE1 3.27Å; M185-F257 HydrophobicContact CE-CZ 3.55Å; H253-F257 VanDerWaalsContact O-CB 3.31Å; H253-F257 WeakPolarHBondContact O-CB 3.42Å; H253-F257 PolarHBondContact O-N 2.97Å; C254-F257 PolarHBondContact O-N 3.11Å; I255-F257 VanDerWaalsContact C-N 3.27Å; I255-F257 PolarHBondContact O-N 3.31Å; F257-H260 WeakPolarHBondContact O-CB 3.38Å; F257-H260 PolarHBondContact O-N 2.88Å; F257-I261 HydrophobicContact CD1-CD1 3.97Å; F257-I261 HydrophobicContact CE1-CD1 3.27Å; F257-I261 HydrophobicContact CE1-CG1 4.24Å; F257-I261 HydrophobicContact CZ-CD1 3.63Å; F257-I261 HydrophobicContact CZ-CG1 4.34Å; F257-I261 PolarHBondContact O-N 3.36Å; F257-I261 VanDerWaalsContact O-N 3.1Å
258I82.2Confident79.4Confident90 Ų9076.8 Ų76.846%0.46240%0.395SS..Hα-helixtrans-63.9-45.7175-68.3165.4000110.2C254 I255 H260 I261 V262C254-I258 VanDerWaalsContact O-CG1 3.3Å; C254-I258 WeakPolarHBondContact O-CG1 3.49Å; C254-I258 PolarHBondContact O-N 3.38Å; I255-I258 PolarHBondContact O-N 3.3Å; I258-H260 PolarHBondContact O-N 2.71Å; I258-I261 PolarHBondContact O-N 3.06Å; I258-I261 VanDerWaalsContact O-N 3.12Å; I258-V262 HydrophobicContact CG2-CG2 4.36Å; I258-V262 WeakPolarHBondContact O-CG2 3.41Å; I258-V262 PolarHBondContact O-N 3.26Å
259L81.5Confident78.5Confident69 Ų6978.4 Ų78.436%0.36139%0.393SS..Hα-helixtrans-58.2-36.6175.2-68174.3000111.2I255 C256 V262 F263 L270I255-L259 HydrophobicContact CG2-CD1 3.85Å; I255-L259 HydrophobicContact CG2-CG 4.24Å; I255-L259 WeakPolarHBondContact O-CB 3.34Å; I255-L259 VanDerWaalsContact O-CG 3.24Å; I255-L259 WeakPolarHBondContact O-CG 3.35Å; I255-L259 PolarHBondContact O-N 3.48Å; C256-L259 PolarHBondContact O-N 2.98Å; L259-V262 PolarHBondContact O-N 2.83Å; L259-F263 HydrophobicContact CB-CD2 4.26Å; L259-F263 HydrophobicContact CD2-CD2 3.91Å; L259-F263 HydrophobicContact CD2-CE2 3.56Å; L259-F263 WeakPolarHBondContact O-CB 3.47Å; L259-F263 WeakPolarHBondContact O-CD2 3.3Å; L259-F263 PolarHBondContact O-N 3.04Å; L259-L270 HydrophobicContact CB-CD2 3.95Å
260H76.3Confident77.9Confident64 Ų6477.3 Ų77.330%0.29639%0.388SS..Hα-helixtrans-68.8-34.7178.1-179.7-83.8000112.7C256 F257 I258 L270C256-H260 WeakPolarHBondContact O-CB 3.46Å; C256-H260 PolarHBondContact O-N 3.44Å; F257-H260 WeakPolarHBondContact O-CB 3.38Å; F257-H260 PolarHBondContact O-N 2.88Å; I258-H260 PolarHBondContact O-N 2.71Å; H260-L270 HydrophobicContact CB-CD2 3.55Å; H260-L270 HydrophobicContact CB-CG 4.04Å; H260-L270 VanDerWaalsContact N-CD2 3.28Å
261I73.8Confident77.4Confident106 Ų10679.7 Ų79.754%0.54440%0.397SS..Hα-helixtrans-69.7-40174.1-68.9174.9000110.8F257 I258F257-I261 HydrophobicContact CD1-CD1 3.97Å; F257-I261 HydrophobicContact CE1-CD1 3.27Å; F257-I261 HydrophobicContact CE1-CG1 4.24Å; F257-I261 HydrophobicContact CZ-CD1 3.63Å; F257-I261 HydrophobicContact CZ-CG1 4.34Å; F257-I261 PolarHBondContact O-N 3.36Å; F257-I261 VanDerWaalsContact O-N 3.1Å; I258-I261 PolarHBondContact O-N 3.06Å; I258-I261 VanDerWaalsContact O-N 3.12Å
262V76.5Confident77Confident95 Ų9576.4 Ų76.458%0.57638%0.379SS*.Hα-helixtrans-79.8-39.9-174.5175.80000112.3I258 L259I258-V262 HydrophobicContact CG2-CG2 4.36Å; I258-V262 WeakPolarHBondContact O-CG2 3.41Å; I258-V262 PolarHBondContact O-N 3.26Å; L259-V262 PolarHBondContact O-N 2.83Å
263F71Confident76.7Confident128 Ų12873.8 Ų73.856%0.56137%0.367SS*.  trans-104.6101.5-175.7-63.9-76.1000111L259 D265L259-F263 HydrophobicContact CB-CD2 4.26Å; L259-F263 HydrophobicContact CD2-CD2 3.91Å; L259-F263 HydrophobicContact CD2-CE2 3.56Å; L259-F263 WeakPolarHBondContact O-CB 3.47Å; L259-F263 WeakPolarHBondContact O-CD2 3.3Å; L259-F263 PolarHBondContact O-N 3.04Å; F263-D265 VanDerWaalsContact C-N 3.31Å; F263-D265 PolarHBondContact O-N 3.08Å
264V59.9Low76.7Confident89 Ų8972.5 Ų72.554%0.53936%0.363SS..G310 helixtrans-70-23.4-175.5179.50000113.4S266 R267V264-S266 PolarHBondContact O-N 3.2Å; V264-R267 WeakPolarHBondContact O-CG 3.37Å
265D56.3Low76.7Confident161 Ų16172.6 Ų72.686%0.86136%0.362SS*.G310 helixtrans-83.6-13-162.9-72.2-29.6000116.2F263F263-D265 VanDerWaalsContact C-N 3.31Å; F263-D265 PolarHBondContact O-N 3.08Å
266S61Low76.9Confident53 Ų5369 Ų6937%0.37135%0.345SS..G310 helixtrans-127.850.8-176.8-159.70000113.8V264 L268 L270V264-S266 PolarHBondContact O-N 3.2Å; S266-L268 VanDerWaalsContact C-N 3.31Å; S266-L268 PolarHBondContact O-N 2Å; S266-L270 WeakPolarHBondContact O-CB 2.93Å; S266-L270 PolarHBondContact O-N 3.16Å
267R68.1Low77.3Confident156 Ų15669.1 Ų69.159%0.58934%0.344SS*.Hα-helixtrans-59.8-32.3-174.3-67.7-174.7-73.2-124.51.6114.8V264 R271V264-R267 WeakPolarHBondContact O-CG 3.37Å; R267-R271 WeakPolarHBondContact O-CB 3.31Å; R267-R271 PolarHBondContact O-N 3.28Å
268L71.6Confident77.8Confident66 Ų6668.3 Ų68.335%0.34634%0.343SS..Hα-helixtrans-84.7-52.2-174.2-68.6177.9000112.6E13 S266 L270 R271 H272E13-L268 WeakPolarHBondContact OE1-CB 3.42Å; S266-L268 VanDerWaalsContact C-N 3.31Å; S266-L268 PolarHBondContact O-N 2Å; L268-L270 PolarHBondContact O-N 3.16Å; L268-R271 WeakPolarHBondContact O-CB 2.81Å; L268-R271 PolarHBondContact O-N 2.87Å; L268-H272 PolarHBondContact O-CD2 3.3Å; L268-H272 PolarHBondContact O-N 3.31Å
269W74.6Confident78.3Confident92 Ų9264 Ų6435%0.34832%0.321SS..Hα-helixtrans-56-49.2177.2179.993.7000111.9E12 L16 R271 H272 V273E12-W269 PolarHBondContact OE2-NE1 3.45Å; L16-W269 HydrophobicContact CD1-CG 4.39Å; W269-R271 VanDerWaalsContact C-N 3.26Å; W269-R271 PolarHBondContact O-N 3Å; W269-H272 PolarHBondContact O-N 2.98Å; W269-H272 VanDerWaalsContact O-N 3.11Å; W269-V273 HydrophobicContact CD2-CG2 3.97Å; W269-V273 HydrophobicContact CE3-CG2 4.04Å; W269-V273 HydrophobicContact CH2-CG2 3.89Å; W269-V273 HydrophobicContact CZ2-CG2 3.83Å; W269-V273 HydrophobicContact CZ3-CG2 4Å; W269-V273 WeakPolarHBondContact O-CG2 3.27Å; W269-V273 PolarHBondContact O-N 3.35Å
270L78.8Confident78.9Confident17 Ų1761 Ų619%0.08931%0.306CS..Hα-helixtrans-68.2-28.6-177.1-169.455.5000112.5C256 L259 H260 S266 L268 G274C256-L270 HydrophobicContact CB-CD1 4.02Å; L259-L270 HydrophobicContact CB-CD2 3.95Å; H260-L270 HydrophobicContact CB-CD2 3.55Å; H260-L270 HydrophobicContact CB-CG 4.04Å; H260-L270 VanDerWaalsContact N-CD2 3.28Å; S266-L270 WeakPolarHBondContact O-CB 2.93Å; S266-L270 PolarHBondContact O-N 3.16Å; L268-L270 PolarHBondContact O-N 3.16Å; L270-G274 PolarHBondContact O-N 3.41Å
271R78Confident79.8Confident87 Ų8758.5 Ų58.533%0.32829%0.294SS..Hα-helixtrans-66.7-46.9170.1174.8179.7174.6169.62.7111.5F174 R267 L268 W269 V273 G274 E275F174-R271 VanDerWaalsContact CE1-NH1 3.32Å; R267-R271 WeakPolarHBondContact O-CB 3.31Å; R267-R271 PolarHBondContact O-N 3.28Å; L268-R271 WeakPolarHBondContact O-CB 2.81Å; L268-R271 PolarHBondContact O-N 2.87Å; W269-R271 VanDerWaalsContact C-N 3.26Å; W269-R271 PolarHBondContact O-N 3Å; R271-V273 VanDerWaalsContact C-N 3.3Å; R271-V273 PolarHBondContact O-N 3.47Å; R271-G274 CarbonylContact O-C 3.59Å; R271-G274 WeakPolarHBondContact O-CA 3.32Å; R271-G274 PolarHBondContact O-N 3.02Å; R271-G274 VanDerWaalsContact O-N 3.09Å; R271-E275 IonicContact CZ-OE1 3.69Å; R271-E275 IonicContact NE-OE1 3.01Å; R271-E275 PolarHBondContact NE-OE1 2.95Å; R271-E275 IonicContact NH2-OE1 3.8Å; R271-E275 WeakPolarHBondContact O-CG 3.41Å; R271-E275 PolarHBondContact O-N 3.01Å
272H83.6Confident80.8Confident27 Ų2753.6 Ų53.613%0.12527%0.269CS..Hα-helixtrans-62.1-38.4176.5-73.6-42.2000112.1L16 Q17 L268 W269 E275 V276L16-H272 HydrophobicContact CB-CB 3.99Å; L16-H272 HydrophobicContact CD1-CB 3.82Å; Q17-H272 PolarHBondContact NE2-NE2 3.26Å; L268-H272 PolarHBondContact O-CD2 3.3Å; L268-H272 PolarHBondContact O-N 3.31Å; W269-H272 PolarHBondContact O-N 2.98Å; W269-H272 VanDerWaalsContact O-N 3.11Å; H272-E275 IonicContact CE1-OE2 3.8Å; H272-E275 IonicContact ND1-OE2 3Å; H272-E275 PolarHBondContact ND1-OE2 3.41Å; H272-E275 PolarHBondContact O-N 3.27Å; H272-V276 WeakPolarHBondContact O-CG2 3.23Å; H272-V276 PolarHBondContact O-N 3.34Å
273V87Confident81.7Confident26 Ų2649.4 Ų49.416%0.15824%0.244CC..Hα-helixtrans-59.9-46170.9174.50000110.9L16 W269 R271 E275 V276 L277L16-V273 HydrophobicContact CD1-CG2 3.75Å; L16-V273 HydrophobicContact CD2-CG2 4.21Å; W269-V273 HydrophobicContact CD2-CG2 3.97Å; W269-V273 HydrophobicContact CE3-CG2 4.04Å; W269-V273 HydrophobicContact CH2-CG2 3.89Å; W269-V273 HydrophobicContact CZ2-CG2 3.83Å; W269-V273 HydrophobicContact CZ3-CG2 4Å; W269-V273 WeakPolarHBondContact O-CG2 3.27Å; W269-V273 PolarHBondContact O-N 3.35Å; R271-V273 VanDerWaalsContact C-N 3.3Å; R271-V273 PolarHBondContact O-N 3.47Å; V273-E275 VanDerWaalsContact C-N 3.34Å; V273-E275 PolarHBondContact O-N 3.45Å; V273-V276 PolarHBondContact O-N 2.9Å; V273-L277 HydrophobicContact CG1-CD1 4.04Å; V273-L277 HydrophobicContact CG1-CG 4.47Å; V273-L277 VanDerWaalsContact O-CG 3.31Å; V273-L277 WeakPolarHBondContact O-CG 2.97Å; V273-L277 PolarHBondContact O-N 3.34Å
274G88Confident82.8Confident10 Ų1046 Ų4610%0.10323%0.231CC..Hα-helixtrans-60.9-39.2176.100000113.6L270 R271 L277 T278L270-G274 PolarHBondContact O-N 3.41Å; R271-G274 CarbonylContact O-C 3.59Å; R271-G274 WeakPolarHBondContact O-CA 3.32Å; R271-G274 PolarHBondContact O-N 3.02Å; R271-G274 VanDerWaalsContact O-N 3.09Å; G274-L277 PolarHBondContact O-N 2.9Å; G274-T278 WeakPolarHBondContact O-CB 3.45Å; G274-T278 PolarHBondContact O-N 3.5Å; G274-T278 PolarHBondContact O-OG1 3.48Å
275E89Confident84.4Confident19 Ų1941.8 Ų41.89%0.08921%0.206CC..Hα-helixtrans-63.3-48.1175.5-73.2166178.200110.9L20 T69 R271 H272 V273 L277 T278 S279L20-E275 HydrophobicContact CD2-CB 4.22Å; T69-E275 HydrophobicContact CG2-CB 3.8Å; T69-E275 HydrophobicContact CG2-CG 4.09Å; R271-E275 IonicContact CZ-OE1 3.69Å; R271-E275 IonicContact NE-OE1 3.01Å; R271-E275 PolarHBondContact NE-OE1 2.95Å; R271-E275 IonicContact NH2-OE1 3.8Å; R271-E275 WeakPolarHBondContact O-CG 3.41Å; R271-E275 PolarHBondContact O-N 3.01Å; H272-E275 IonicContact CE1-OE2 3.8Å; H272-E275 IonicContact ND1-OE2 3Å; H272-E275 PolarHBondContact ND1-OE2 3.41Å; H272-E275 PolarHBondContact O-N 3.27Å; V273-E275 VanDerWaalsContact C-N 3.34Å; V273-E275 PolarHBondContact O-N 3.45Å; E275-L277 VanDerWaalsContact C-N 3.34Å; E275-L277 PolarHBondContact O-N 3.47Å; E275-T278 WeakPolarHBondContact O-CB 3.46Å; E275-T278 PolarHBondContact O-N 2.93Å; E275-T278 VanDerWaalsContact O-N 3.15Å; E275-S279 PolarHBondContact O-N 3.27Å; E275-S279 PolarHBondContact O-OG 3.21Å
276V91.7Very high86.1Confident18 Ų1834.1 Ų34.111%0.10917%0.165CC..Hα-helixtrans-59.2-43.1175.3171.10000111.5L16 V19 L20 Q23 H272 V273 T278 S279 S280L16-V276 HydrophobicContact CD2-CG2 4.32Å; V19-V276 HydrophobicContact CG1-CG1 3.98Å; V19-V276 HydrophobicContact CG1-CG2 4.36Å; L20-V276 HydrophobicContact CB-CG2 4.12Å; Q23-V276 PolarHBondContact OE1-O 3.32Å; Q23-V276 VanDerWaalsContact OE1-O 3.13Å; H272-V276 WeakPolarHBondContact O-CG2 3.23Å; H272-V276 PolarHBondContact O-N 3.34Å; V273-V276 PolarHBondContact O-N 2.9Å; V276-T278 VanDerWaalsContact C-N 3.33Å; V276-T278 PolarHBondContact O-N 3.38Å; V276-S279 WeakPolarHBondContact CA-OG 3.48Å; V276-S279 PolarHBondContact O-N 3.49Å; V276-S279 PolarHBondContact O-OG 3.46Å; V276-S279 VanDerWaalsContact O-OG 3.04Å; V276-S280 WeakPolarHBondContact O-CB 3.39Å; V276-S280 PolarHBondContact O-N 2.92Å; V276-S280 PolarHBondContact O-OG 3.24Å
277L92.5Very high87.6Confident23 Ų2334 Ų3412%0.1216%0.16CC..Hα-helixtrans-64.3-39.5176.8-70.9170.8000111.8F249 L252 H253 C256 V273 G274 E275 S280F249-L277 HydrophobicContact CD1-CD2 3.96Å; F249-L277 HydrophobicContact CE1-CD2 4.43Å; L252-L277 HydrophobicContact CB-CD1 4Å; L252-L277 HydrophobicContact CB-CD2 3.87Å; L252-L277 HydrophobicContact CD1-CD2 4.05Å; H253-L277 HydrophobicContact CB-CB 4.35Å; C256-L277 HydrophobicContact CB-CD1 4.23Å; C256-L277 WeakPolarHBondContact SG-CD1 3.1Å; V273-L277 HydrophobicContact CG1-CD1 4.04Å; V273-L277 HydrophobicContact CG1-CG 4.47Å; V273-L277 VanDerWaalsContact O-CG 3.31Å; V273-L277 WeakPolarHBondContact O-CG 2.97Å; V273-L277 PolarHBondContact O-N 3.34Å; G274-L277 PolarHBondContact O-N 2.9Å; E275-L277 VanDerWaalsContact C-N 3.34Å; E275-L277 PolarHBondContact O-N 3.47Å; L277-S280 PolarHBondContact O-N 3.37Å
278T91.5Very high88.7Confident38 Ų3828.1 Ų28.123%0.23314%0.14CC..Hα-helixtrans-66-38.7178.8-58.70000112.1I65 H253 G274 E275 V276 P282I65-T278 HydrophobicContact CG2-CG2 3.92Å; H253-T278 PolarHBondContact CD2-OG1 3.09Å; H253-T278 VanDerWaalsContact CD2-OG1 3.23Å; H253-T278 PolarHBondContact NE2-OG1 2.98Å; G274-T278 WeakPolarHBondContact O-CB 3.45Å; G274-T278 PolarHBondContact O-N 3.5Å; G274-T278 PolarHBondContact O-OG1 3.48Å; E275-T278 WeakPolarHBondContact O-CB 3.46Å; E275-T278 PolarHBondContact O-N 2.93Å; E275-T278 VanDerWaalsContact O-N 3.15Å; V276-T278 VanDerWaalsContact C-N 3.33Å; V276-T278 PolarHBondContact O-N 3.38Å; T278-P282 WeakPolarHBondContact O-CD 3.36Å; T278-P282 WeakPolarHBondContact O-CG 3.37Å
279S93.6Very high89.6Confident0 Ų025.6 Ų25.60%013%0.127CC..Hα-helixtrans-78.5-22.5176.946.50000113.8L20 Q23 E275 V276 F281 P282 T283L20-S279 VanDerWaalsContact CD1-OG 3.24Å; L20-S279 WeakPolarHBondContact CD1-OG 3.4Å; Q23-S279 PolarHBondContact OE1-OG 2.9Å; E275-S279 PolarHBondContact O-N 3.27Å; E275-S279 PolarHBondContact O-OG 3.21Å; V276-S279 WeakPolarHBondContact CA-OG 3.48Å; V276-S279 PolarHBondContact O-N 3.49Å; V276-S279 PolarHBondContact O-OG 3.46Å; V276-S279 VanDerWaalsContact O-OG 3.04Å; S279-F281 PolarHBondContact O-N 2.76Å; S279-P282 VanDerWaalsContact O-CD 3.31Å; S279-P282 WeakPolarHBondContact O-CD 3.4Å; S279-T283 WeakPolarHBondContact O-CB 3.46Å; S279-T283 PolarHBondContact O-N 2.96Å; S279-T283 PolarHBondContact O-OG1 3.05Å; S279-T283 VanDerWaalsContact O-OG1 3.06Å
280S94.9Very high90.3Very high7 Ų721.9 Ų21.95%0.04911%0.113CC..Hα-helixtrans-60.2-44.6-175.1-67.70000113.4Q23 V276 L277 T283 I284Q23-S280 PolarHBondContact NE2-OG 3.03Å; V276-S280 WeakPolarHBondContact O-CB 3.39Å; V276-S280 PolarHBondContact O-N 2.92Å; V276-S280 PolarHBondContact O-OG 3.24Å; L277-S280 PolarHBondContact O-N 3.37Å; S280-T283 PolarHBondContact O-N 3.1Å; S280-I284 WeakPolarHBondContact O-CB 3.39Å; S280-I284 WeakPolarHBondContact O-CG1 2.98Å; S280-I284 PolarHBondContact O-N 3.43Å
281F93.7Very high90.5Very high10 Ų1026.4 Ų26.44%0.04413%0.133CC..Hα-helixtrans-65.9-50.8176.9176.1-94.3000113M58 N102 T106 L242 T245 F246 F249 S279 T283 I284 S285M58-F281 HydrophobicContact CE-CE1 3.4Å; M58-F281 HydrophobicContact CE-CE2 4.44Å; M58-F281 HydrophobicContact CE-CZ 3.26Å; N102-F281 WeakPolarHBondContact OD1-CD1 2.95Å; N102-F281 WeakPolarHBondContact OD1-CE1 3.32Å; T106-F281 HydrophobicContact CG2-CZ 4.18Å; L242-F281 HydrophobicContact CD1-CE2 3.65Å; L242-F281 HydrophobicContact CD1-CZ 3.84Å; L242-F281 HydrophobicContact CG-CE2 4.21Å; L242-F281 HydrophobicContact CG-CZ 4.31Å; T245-F281 HydrophobicContact CG2-CD2 4.29Å; F246-F281 VanDerWaalsContact CA-CD2 3.49Å; F246-F281 HydrophobicContact CB-CD2 3.75Å; F246-F281 HydrophobicContact CB-CE2 3.48Å; F246-F281 VanDerWaalsContact CB-CE2 3.48Å; F246-F281 HydrophobicContact CB-CZ 4.08Å; F246-F281 AromaticContact CD2-CD1 3.65Å; F246-F281 HydrophobicContact CD2-CD1 3.65Å; F246-F281 AromaticContact CD2-CD2 3.77Å; F246-F281 HydrophobicContact CD2-CD2 3.77Å; F246-F281 AromaticContact CD2-CE1 3.52Å; F246-F281 HydrophobicContact CD2-CE1 3.52Å; F246-F281 AromaticContact CD2-CE2 3.63Å; F246-F281 HydrophobicContact CD2-CE2 3.63Å; F246-F281 AromaticContact CD2-CG 3.77Å; F246-F281 HydrophobicContact CD2-CG 3.77Å; F246-F281 AromaticContact CD2-CZ 3.48Å; F246-F281 HydrophobicContact CD2-CZ 3.48Å; F246-F281 VanDerWaalsContact CD2-CZ 3.48Å; F246-F281 HydrophobicContact CE2-CD1 4.09Å; F246-F281 HydrophobicContact CE2-CE1 4.05Å; F246-F281 HydrophobicContact CE2-CG 4.5Å; F246-F281 HydrophobicContact CE2-CZ 4.39Å; F246-F281 HydrophobicContact CG-CD2 4.24Å; F246-F281 HydrophobicContact CG-CE2 4.06Å; F246-F281 HydrophobicContact CG-CZ 4.24Å; F249-F281 HydrophobicContact CD2-CB 4.2Å; S279-F281 PolarHBondContact O-N 2.76Å; F281-T283 PolarHBondContact O-N 2.97Å; F281-T283 VanDerWaalsContact O-N 3.16Å; F281-I284 PolarHBondContact O-N 2.68Å; F281-S285 WeakPolarHBondContact O-CB 3.27Å; F281-S285 PolarHBondContact O-N 3.23Å; F281-S285 PolarHBondContact O-OG 3.33Å
282P95.3Very high90.6Very high3 Ų326.4 Ų26.42%0.01913%0.133CC..Hα-helixtrans-51.3-33.3171.5-31.235.8000114.5N31 I65 L66 T278 S279 P286N31-P282 PolarHBondContact ND2-O 3.34Å; I65-P282 HydrophobicContact CB-CG 4.1Å; I65-P282 HydrophobicContact CD1-CG 4.15Å; I65-P282 HydrophobicContact CG2-CG 3.78Å; L66-P282 HydrophobicContact CD1-CB 4.23Å; L66-P282 HydrophobicContact CD2-CB 4.07Å; L66-P282 HydrophobicContact CG-CB 3.87Å; T278-P282 WeakPolarHBondContact O-CD 3.36Å; T278-P282 WeakPolarHBondContact O-CG 3.37Å; S279-P282 VanDerWaalsContact O-CD 3.31Å; S279-P282 WeakPolarHBondContact O-CD 3.4Å; P282-P286 WeakPolarHBondContact O-CD 3.47Å
283T94.8Very high90.2Very high8 Ų826.3 Ų26.35%0.04913%0.133CC..Hα-helixtrans-79.1-43.4177.8-610000113Q23 I26 S279 S280 F281 P286 L287Q23-T283 HydrophobicContact CB-CG2 4.46Å; Q23-T283 PolarHBondContact O-OG1 3.35Å; I26-T283 HydrophobicContact CB-CG2 4.27Å; I26-T283 HydrophobicContact CG2-CG2 4.06Å; S279-T283 WeakPolarHBondContact O-CB 3.46Å; S279-T283 PolarHBondContact O-N 2.96Å; S279-T283 PolarHBondContact O-OG1 3.05Å; S279-T283 VanDerWaalsContact O-OG1 3.06Å; S280-T283 PolarHBondContact O-N 3.1Å; F281-T283 PolarHBondContact O-N 2.97Å; F281-T283 VanDerWaalsContact O-N 3.16Å; T283-P286 WeakPolarHBondContact O-CD 3.15Å; T283-P286 WeakPolarHBondContact O-CG 3.12Å; T283-L287 WeakPolarHBondContact O-CG 3.12Å
284I94.3Very high89Confident56 Ų5628.8 Ų28.829%0.28715%0.15SC..Hα-helixtrans-80.9-35-174.7-68.3163.4000112T245 F249 S280 F281 L287 L288T245-I284 HydrophobicContact CG2-CB 4.29Å; T245-I284 HydrophobicContact CG2-CG2 3.81Å; F249-I284 HydrophobicContact CE2-CD1 3.48Å; F249-I284 VanDerWaalsContact CE2-CD1 3.48Å; F249-I284 HydrophobicContact CZ-CD1 3.53Å; S280-I284 WeakPolarHBondContact O-CB 3.39Å; S280-I284 WeakPolarHBondContact O-CG1 2.98Å; S280-I284 PolarHBondContact O-N 3.43Å; F281-I284 PolarHBondContact O-N 2.68Å; I284-L287 WeakPolarHBondContact O-CB 2.92Å; I284-L287 PolarHBondContact O-N 2.97Å; I284-L287 VanDerWaalsContact O-N 3.16Å; I284-L288 HydrophobicContact CG2-CD1 3.85Å; I284-L288 HydrophobicContact CG2-CG 3.93Å; I284-L288 PolarHBondContact O-N 3Å
285S93.4Very high88Confident1 Ų132.3 Ų32.31%0.00717%0.172CC..Hα-helixtrans-53.9-50.7-178.561.30000115.2L242 F281 L287 L288 L289L242-S285 VanDerWaalsContact CD1-CB 3.46Å; F281-S285 WeakPolarHBondContact O-CB 3.27Å; F281-S285 PolarHBondContact O-N 3.23Å; F281-S285 PolarHBondContact O-OG 3.33Å; S285-L287 VanDerWaalsContact C-N 3.31Å; S285-L287 PolarHBondContact O-N 3.26Å; S285-L288 PolarHBondContact O-N 3.43Å; S285-L289 WeakPolarHBondContact O-CG 3.26Å; S285-L289 PolarHBondContact O-N 2.99Å; S285-L289 VanDerWaalsContact O-N 3.11Å
286P93.6Very high86.4Confident0 Ų032.1 Ų32.10%017%0.171CC..Hα-helixtrans-65.7-34.8177.330-39.9000111.9A30 L34 P282 T283 L288 L289 I290A30-P286 HydrophobicContact CB-CB 3.91Å; A30-P286 HydrophobicContact CB-CG 3.54Å; L34-P286 HydrophobicContact CB-CB 4.16Å; L34-P286 HydrophobicContact CD2-CB 3.94Å; P282-P286 WeakPolarHBondContact O-CD 3.47Å; T283-P286 WeakPolarHBondContact O-CD 3.15Å; T283-P286 WeakPolarHBondContact O-CG 3.12Å; P286-L288 PolarHBondContact O-N 2.93Å; P286-L289 PolarHBondContact O-N 3.46Å; P286-I290 HydrophobicContact CB-CD1 4.37Å; P286-I290 VanDerWaalsContact O-CB 3.28Å; P286-I290 WeakPolarHBondContact O-CB 3.03Å; P286-I290 WeakPolarHBondContact O-CD1 3.33Å; P286-I290 WeakPolarHBondContact O-CG1 3.09Å; P286-I290 PolarHBondContact O-N 3.44Å
287L92.2Very high84.5Confident51 Ų5135.5 Ų35.527%0.26719%0.194SC..Hα-helixtrans-63.1-44.4177.6-60175.5000110.5I26 A30 T283 I284 S285 L289 I290 F291I26-L287 HydrophobicContact CG2-CD1 4.17Å; A30-L287 HydrophobicContact CB-CD2 3.61Å; A30-L287 HydrophobicContact CB-CG 4.13Å; T283-L287 WeakPolarHBondContact O-CG 3.12Å; I284-L287 WeakPolarHBondContact O-CB 2.92Å; I284-L287 PolarHBondContact O-N 2.97Å; I284-L287 VanDerWaalsContact O-N 3.16Å; S285-L287 VanDerWaalsContact C-N 3.31Å; S285-L287 PolarHBondContact O-N 3.26Å; L287-L289 VanDerWaalsContact C-N 3.32Å; L287-L289 PolarHBondContact O-N 3.41Å; L287-I290 PolarHBondContact O-N 3.48Å; L287-F291 HydrophobicContact CB-CD2 4.04Å; L287-F291 HydrophobicContact CB-CE2 4.03Å; L287-F291 HydrophobicContact CD2-CE2 3.87Å; L287-F291 HydrophobicContact CG-CE2 4.48Å; L287-F291 WeakPolarHBondContact O-CB 3.45Å; L287-F291 WeakPolarHBondContact O-CD2 3.35Å; L287-F291 PolarHBondContact O-N 3.07Å
288L91Very high82.6Confident32 Ų3237.5 Ų37.517%0.16821%0.208CC..Hα-helixtrans-60.8-40.7175.4-71176.7000112.2L242 I284 S285 P286 R292L242-L288 HydrophobicContact CD1-CD1 4.33Å; I284-L288 HydrophobicContact CG2-CD1 3.85Å; I284-L288 HydrophobicContact CG2-CG 3.93Å; I284-L288 PolarHBondContact O-N 3Å; S285-L288 PolarHBondContact O-N 3.43Å; P286-L288 PolarHBondContact O-N 2.93Å; L288-R292 WeakPolarHBondContact O-CB 3.29Å; L288-R292 PolarHBondContact O-N 3.14Å
289L90.2Very high80.4Confident13 Ų1335.9 Ų35.97%0.06820%0.199CC..Hα-helixtrans-71.1-41.4178.9-68.7174.3000112.3L34 M58 L109 L242 S285 P286 L287 D293L34-L289 HydrophobicContact CD1-CB 4.01Å; L34-L289 HydrophobicContact CD1-CD1 4.4Å; L34-L289 HydrophobicContact CD2-CD1 3.96Å; M58-L289 HydrophobicContact SD-CD1 4.09Å; L109-L289 HydrophobicContact CD2-CD2 4.37Å; L242-L289 HydrophobicContact CD2-CD2 4.35Å; S285-L289 WeakPolarHBondContact O-CG 3.26Å; S285-L289 PolarHBondContact O-N 2.99Å; S285-L289 VanDerWaalsContact O-N 3.11Å; P286-L289 PolarHBondContact O-N 3.46Å; L287-L289 VanDerWaalsContact C-N 3.32Å; L287-L289 PolarHBondContact O-N 3.41Å; L289-D293 WeakPolarHBondContact O-CB 3.35Å; L289-D293 PolarHBondContact O-N 3.48Å
290I88.4Confident77.9Confident13 Ų1341.5 Ų41.57%0.06723%0.228CC..Hα-helixtrans-69.7-52.7-179.2-70.9166.3000111A30 L33 L34 P286 L287 R292 D293 Y296A30-I290 WeakPolarHBondContact O-CD1 3.25Å; L33-I290 HydrophobicContact CB-CD1 4.22Å; L34-I290 HydrophobicContact CB-CD1 4.25Å; L34-I290 HydrophobicContact CD1-CG1 4.11Å; P286-I290 HydrophobicContact CB-CD1 4.37Å; P286-I290 VanDerWaalsContact O-CB 3.28Å; P286-I290 WeakPolarHBondContact O-CB 3.03Å; P286-I290 WeakPolarHBondContact O-CD1 3.33Å; P286-I290 WeakPolarHBondContact O-CG1 3.09Å; P286-I290 PolarHBondContact O-N 3.44Å; L287-I290 PolarHBondContact O-N 3.48Å; I290-R292 VanDerWaalsContact C-N 3.29Å; I290-R292 PolarHBondContact O-N 3.09Å; I290-D293 PolarHBondContact O-N 3.12Å; I290-Y296 HydrophobicContact CB-CD1 4.44Å; I290-Y296 HydrophobicContact CB-CD2 4.49Å; I290-Y296 HydrophobicContact CB-CE1 4.31Å; I290-Y296 HydrophobicContact CB-CE2 4.35Å; I290-Y296 HydrophobicContact CB-CG 4.49Å; I290-Y296 HydrophobicContact CD1-CE1 4.5Å; I290-Y296 HydrophobicContact CG1-CD1 4.41Å; I290-Y296 HydrophobicContact CG1-CE1 3.81Å; I290-Y296 HydrophobicContact CG1-CE2 4.06Å; I290-Y296 HydrophobicContact CG2-CD1 3.66Å; I290-Y296 HydrophobicContact CG2-CD2 4.34Å; I290-Y296 HydrophobicContact CG2-CE1 3.9Å; I290-Y296 HydrophobicContact CG2-CG 3.87Å
291F84.4Confident75.7Confident113 Ų11347.1 Ų47.150%0.49626%0.256SS..Hα-helixtrans-71.7-23.6-171.9-72.6-59.5000113.6L287L287-F291 HydrophobicContact CB-CD2 4.04Å; L287-F291 HydrophobicContact CB-CE2 4.03Å; L287-F291 HydrophobicContact CD2-CE2 3.87Å; L287-F291 HydrophobicContact CG-CE2 4.48Å; L287-F291 WeakPolarHBondContact O-CB 3.45Å; L287-F291 WeakPolarHBondContact O-CD2 3.35Å; L287-F291 PolarHBondContact O-N 3.07Å
292R80Confident73.6Confident87 Ų8754.5 Ų54.533%0.32829%0.289SS..Hα-helixtrans-98.1-10179.5-66.4-165.5167.6-168.5-1.3114.5H237 S238 M241 L288 I290H237-R292 VanDerWaalsContact C-NH1 3.26Å; H237-R292 PolarHBondContact O-NH1 3.33Å; H237-R292 VanDerWaalsContact O-NH1 3.11Å; S238-R292 WeakPolarHBondContact OG-CB 3.27Å; S238-R292 WeakPolarHBondContact OG-CD 3.23Å; M241-R292 VanDerWaalsContact CG-NH1 3.34Å; L288-R292 WeakPolarHBondContact O-CB 3.29Å; L288-R292 PolarHBondContact O-N 3.14Å; I290-R292 VanDerWaalsContact C-N 3.29Å; I290-R292 PolarHBondContact O-N 3.09Å
293D74.5Confident71.1Confident25 Ų2557.5 Ų57.513%0.13431%0.305CS..  trans-84.9119176-167.3-33.5000109.8K51 L289 I290 S295 Y296 S299K51-D293 IonicContact NZ-OD2 3.89Å; K51-D293 PolarHBondContact NZ-OD2 3.36Å; L289-D293 WeakPolarHBondContact O-CB 3.35Å; L289-D293 PolarHBondContact O-N 3.48Å; I290-D293 PolarHBondContact O-N 3.12Å; D293-S295 PolarHBondContact O-N 3.36Å; D293-S295 VanDerWaalsContact O-N 3.15Å; D293-S295 WeakPolarHBondContact OD1-CB 3.5Å; D293-S295 PolarHBondContact OD1-N 3.47Å; D293-Y296 HydrophobicContact CB-CD2 3.93Å; D293-Y296 HydrophobicContact CB-CE2 4.36Å; D293-Y296 PolarHBondContact O-N 3.03Å; D293-Y296 VanDerWaalsContact O-N 3.14Å; D293-S299 PolarHBondContact O-OG 3.23Å
294P62.9Low68.4Low78 Ų7867.2 Ų67.251%0.50634%0.342SS..THydrogen-bonded Turntrans-63.8-17.4-178.827.2-35.3000113.2Y296 S299P294-Y296 PolarHBondContact O-N 2.69Å; P294-S299 PolarHBondContact O-OG 3.23Å
295S66.1Low66Low83 Ų8375.5 Ų75.558%0.5837%0.37SS*.THydrogen-bonded Turntrans-74-10.3176.6-62.80000113.5D293D293-S295 PolarHBondContact O-N 3.36Å; D293-S295 VanDerWaalsContact O-N 3.15Å; D293-S295 WeakPolarHBondContact OD1-CB 3.5Å; D293-S295 PolarHBondContact OD1-N 3.47Å
296Y55.7Low63.3Low16 Ų1682.7 Ų82.76%0.06340%0.401CS..SBendtrans-83.5132.5174.4-85.2-91.5000112.2L34 H37 I290 D293 P294 C298 S299L34-Y296 WeakPolarHBondContact CA-OH 3.35Å; H37-Y296 HydrophobicContact CB-CE1 3.67Å; H37-Y296 HydrophobicContact CB-CE2 4.49Å; H37-Y296 WeakPolarHBondContact CB-OH 3.37Å; H37-Y296 AromaticContact CD2-CE1 3.96Å; H37-Y296 AromaticContact CD2-CE2 3.29Å; H37-Y296 WeakPolarHBondContact CD2-CE2 3.42Å; H37-Y296 AromaticContact CD2-CZ 3.21Å; H37-Y296 PolarHBondContact CD2-OH 3.33Å; H37-Y296 VanDerWaalsContact CD2-OH 3.24Å; H37-Y296 AromaticContact CG-CE1 3.55Å; H37-Y296 AromaticContact CG-CE2 3.8Å; H37-Y296 AromaticContact CG-CZ 3.27Å; H37-Y296 VanDerWaalsContact CG-OH 3.32Å; H37-Y296 AromaticContact ND1-CE1 3.88Å; H37-Y296 AromaticContact ND1-CZ 3.93Å; H37-Y296 AromaticContact NE2-CD2 3.87Å; H37-Y296 AromaticContact NE2-CE2 3.53Å; H37-Y296 AromaticContact NE2-CZ 3.87Å; I290-Y296 HydrophobicContact CB-CD1 4.44Å; I290-Y296 HydrophobicContact CB-CD2 4.49Å; I290-Y296 HydrophobicContact CB-CE1 4.31Å; I290-Y296 HydrophobicContact CB-CE2 4.35Å; I290-Y296 HydrophobicContact CB-CG 4.49Å; I290-Y296 HydrophobicContact CD1-CE1 4.5Å; I290-Y296 HydrophobicContact CG1-CD1 4.41Å; I290-Y296 HydrophobicContact CG1-CE1 3.81Å; I290-Y296 HydrophobicContact CG1-CE2 4.06Å; I290-Y296 HydrophobicContact CG2-CD1 3.66Å; I290-Y296 HydrophobicContact CG2-CD2 4.34Å; I290-Y296 HydrophobicContact CG2-CE1 3.9Å; I290-Y296 HydrophobicContact CG2-CG 3.87Å; D293-Y296 HydrophobicContact CB-CD2 3.93Å; D293-Y296 HydrophobicContact CB-CE2 4.36Å; D293-Y296 PolarHBondContact O-N 3.03Å; D293-Y296 VanDerWaalsContact O-N 3.14Å; P294-Y296 PolarHBondContact O-N 2.69Å; Y296-C298 PolarHBondContact O-N 3.4Å; Y296-S299 WeakPolarHBondContact O-CB 3.39Å; Y296-S299 PolarHBondContact O-N 2.9Å; Y296-S299 PolarHBondContact O-OG 2.88Å
297P52.2Low60.7Low89 Ų8987.7 Ų87.758%0.57843%0.433SS*.Hα-helixtrans-56.4-35.3177.5-16.723000113.1S299 L300P297-S299 VanDerWaalsContact C-N 3.26Å; P297-S299 PolarHBondContact O-N 3.28Å; P297-L300 VanDerWaalsContact O-CB 3.31Å; P297-L300 WeakPolarHBondContact O-CB 3.4Å; P297-L300 PolarHBondContact O-N 3.1Å; P297-L300 VanDerWaalsContact O-N 3.1Å
298C52.5Low58.3Low64 Ų6492.1 Ų92.143%0.43246%0.462SS..Hα-helixtrans-68.3-23.4-179.8-66.60000113.6Y296 L300 I301 F302Y296-C298 PolarHBondContact O-N 3.4Å; C298-L300 PolarHBondContact O-N 3.07Å; C298-I301 PolarHBondContact O-N 3.29Å; C298-F302 PolarHBondContact O-N 3.12Å
299S45.6Very low56.3Low5 Ų5101 Ų1014%0.03551%0.508CS..Hα-helixtrans-69.5-24.417477.70000111.9D293 P294 Y296 P297 N303D293-S299 PolarHBondContact O-OG 3.23Å; P294-S299 PolarHBondContact O-OG 3.23Å; Y296-S299 WeakPolarHBondContact O-CB 3.39Å; Y296-S299 PolarHBondContact O-N 2.9Å; Y296-S299 PolarHBondContact O-OG 2.88Å; P297-S299 VanDerWaalsContact C-N 3.26Å; P297-S299 PolarHBondContact O-N 3.28Å; S299-N303 WeakPolarHBondContact O-CB 3.4Å; S299-N303 PolarHBondContact O-N 3.36Å; S299-N303 PolarHBondContact O-ND2 3.48Å
300L40.2Very low54.6Low118 Ų118105.5 Ų105.562%0.61853%0.53SS*.Hα-helixtrans-69.4-36172.8-72.4156.1000111.2P297 C298 F302 N303 Y304P297-L300 VanDerWaalsContact O-CB 3.31Å; P297-L300 WeakPolarHBondContact O-CB 3.4Å; P297-L300 PolarHBondContact O-N 3.1Å; P297-L300 VanDerWaalsContact O-N 3.1Å; C298-L300 PolarHBondContact O-N 3.07Å; L300-F302 PolarHBondContact O-N 2.88Å; L300-N303 PolarHBondContact O-N 3.44Å; L300-Y304 WeakPolarHBondContact O-CB 3.42Å; L300-Y304 PolarHBondContact O-N 2.95Å
301I49.4Very low52.8Low124 Ų124110.3 Ų110.364%0.63655%0.554SS**Hα-helixtrans-65.1-41.3177.9-57.1174.9000110.7C298C298-I301 PolarHBondContact O-N 3.29Å
302F48.6Very low51.1Low165 Ų165110.2 Ų110.272%0.72456%0.557SS**Hα-helixtrans-75.7-33177.3-108.6-86.4000113.4C298 L300C298-F302 PolarHBondContact O-N 3.12Å; L300-F302 PolarHBondContact O-N 2.88Å
303N42.3Very low49.3Very low66 Ų66111.5 Ų111.535%0.35357%0.571SS.*Hα-helixtrans-76.8-25.9176.1-78-47.8000113S299 L300 R305 K306S299-N303 WeakPolarHBondContact O-CB 3.4Å; S299-N303 PolarHBondContact O-N 3.36Å; S299-N303 PolarHBondContact O-ND2 3.48Å; L300-N303 PolarHBondContact O-N 3.44Å; N303-R305 PolarHBondContact O-N 3Å; N303-K306 PolarHBondContact O-N 3.04Å
304Y39.8Very low47.8Very low212 Ų212116.9 Ų116.983%0.83160%0.598SS**THydrogen-bonded Turntrans-65.1-20.5175.5-161.8-97.2000112.7L300L300-Y304 WeakPolarHBondContact O-CB 3.42Å; L300-Y304 PolarHBondContact O-N 2.95Å
305R42Very low46.8Very low231 Ų231119.5 Ų119.587%0.87260%0.604SS**THydrogen-bonded Turntrans-90.7-0.6177.5-111.3-170.5-163.2-163.85.8115.2N303 P307N303-R305 PolarHBondContact O-N 3Å; R305-P307 WeakPolarHBondContact O-CD 3.33Å
306K36.7Very low45.4Very low151 Ų151122.1 Ų122.166%0.65761%0.606SS**SBendtrans-82.4114.7167.2-79.5-165.5174.4-1680108.2N303 V308N303-K306 PolarHBondContact O-N 3.04Å; K306-V308 PolarHBondContact O-N 3.4Å
307P39.9Very low44.6Very low106 Ų106130.3 Ų130.369%0.68865%0.648SS**  trans-60128.617425.3-31.1000107.9R305 I309R305-P307 WeakPolarHBondContact O-CD 3.33Å; P307-I309 PolarHBondContact O-N 3.44Å; P307-I309 VanDerWaalsContact O-N 3.12Å
308V41.7Very low44Very low143 Ų143133.8 Ų133.887%0.86765%0.653SS**  trans-59.7111.2159-179.70000105.1K306K306-V308 PolarHBondContact O-N 3.4Å
309I48.9Very low43.2Very low220 Ų220140.1 Ų140.1100%1.12867%0.673SS**  trans-91.60161.2-58.3175.8000105.8P307P307-I309 PolarHBondContact O-N 3.44Å; P307-I309 VanDerWaalsContact O-N 3.12Å

Retrieved 309 of 309 residues in 342.4 ms (Link to these results)

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