A0A5K4F4N6_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A5K4F4N6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 102 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
1M36.8Very low50.4Low242 Ų242105 Ų105100%1.19256%0.561SS**  0109.20-76.9170159.400107G3M1-G3 PolarHBondContact O-N 3.36Å; M1-G3 VanDerWaalsContact O-N 3.13Å
2L41.8Very low50.9Low148 Ų14897.5 Ų97.578%0.77552%0.521SS*.  trans-68.3107.9167.1-78.2161.4000105.5V4L2-V4 PolarHBondContact O-N 3.09Å; L2-V4 VanDerWaalsContact O-N 3.11Å
3G48.7Very low51.4Low75 Ų7598.2 Ų98.277%0.77352%0.519SS*.PPolyproline II helixtrans-57.9116.5166.500000106.9M1M1-G3 PolarHBondContact O-N 3.36Å; M1-G3 VanDerWaalsContact O-N 3.13Å
4V45.1Very low51.9Low70 Ų7097.3 Ų97.342%0.42451%0.514SS..PPolyproline II helixtrans-68129.4171-179.40000106L2 K6 E8 E9L2-V4 PolarHBondContact O-N 3.09Å; L2-V4 VanDerWaalsContact O-N 3.11Å; V4-K6 PolarHBondContact O-N 3.26Å; V4-E8 HydrophobicContact CG1-CB 4.25Å; V4-E9 HydrophobicContact CG1-CB 4.08Å
5D55.6Low52.4Low83 Ų8391.4 Ų91.444%0.44448%0.484SS..PPolyproline II helixtrans-63132.8174.7-170-45.3000108K7 E8 E9D5-K7 PolarHBondContact O-N 3.3Å; D5-K7 VanDerWaalsContact O-N 3.09Å; D5-K7 WeakPolarHBondContact OD1-CB 3.48Å; D5-K7 PolarHBondContact OD1-N 3.32Å; D5-E8 HydrophobicContact CB-CB 4.18Å; D5-E8 HydrophobicContact CB-CG 3.86Å; D5-E8 PolarHBondContact N-OE2 3.35Å; D5-E8 WeakPolarHBondContact O-CA 3.3Å; D5-E8 WeakPolarHBondContact O-CB 3.42Å; D5-E8 PolarHBondContact O-N 3.47Å; D5-E9 PolarHBondContact O-N 3.19Å
6K57.7Low52.7Low169 Ų16988.4 Ų88.474%0.73547%0.465SS*.Hα-helixtrans-55.3-29.9177.7-73.6-172.4176.2-174.30111.9V4 T10V4-K6 PolarHBondContact O-N 3.26Å; K6-T10 WeakPolarHBondContact O-CB 3.26Å; K6-T10 PolarHBondContact O-N 2.98Å; K6-T10 PolarHBondContact O-OG1 3.32Å
7K55.2Low53Low119 Ų11986.8 Ų86.852%0.51746%0.463SS..Hα-helixtrans-67.2-43.5174-64.3-174.1176.6-171.50111.6D5 T10 L11D5-K7 PolarHBondContact O-N 3.3Å; D5-K7 VanDerWaalsContact O-N 3.09Å; D5-K7 WeakPolarHBondContact OD1-CB 3.48Å; D5-K7 PolarHBondContact OD1-N 3.32Å; K7-T10 WeakPolarHBondContact O-CB 3.19Å; K7-T10 PolarHBondContact O-N 3.49Å; K7-L11 WeakPolarHBondContact O-CG 3.4Å; K7-L11 PolarHBondContact O-N 3.21Å
8E49.8Very low53.5Low26 Ų2684.3 Ų84.312%0.12145%0.449CS..Hα-helixtrans-63.9-42.5176.1-68.9168.3171.900111.4V4 D5 T10 L11 I12 N53V4-E8 HydrophobicContact CG1-CB 4.25Å; D5-E8 HydrophobicContact CB-CB 4.18Å; D5-E8 HydrophobicContact CB-CG 3.86Å; D5-E8 PolarHBondContact N-OE2 3.35Å; D5-E8 WeakPolarHBondContact O-CA 3.3Å; D5-E8 WeakPolarHBondContact O-CB 3.42Å; D5-E8 PolarHBondContact O-N 3.47Å; E8-T10 VanDerWaalsContact C-N 3.33Å; E8-T10 PolarHBondContact O-N 3.42Å; E8-L11 PolarHBondContact O-N 2.87Å; E8-I12 WeakPolarHBondContact O-CD1 3.41Å; E8-I12 WeakPolarHBondContact O-CG1 3.24Å; E8-I12 PolarHBondContact O-N 2.96Å; E8-N53 PolarHBondContact OE1-OD1 3.37Å; E8-N53 VanDerWaalsContact OE1-OD1 3.09Å; E8-N53 PolarHBondContact OE2-OD1 2.9Å; E8-N53 VanDerWaalsContact OE2-OD1 3.1Å
9E50.9Low53.9Low95 Ų9580.9 Ų80.944%0.44443%0.431SS..Hα-helixtrans-61.5-42.8174.9-174174.9-169.600111.5V4 D5 L11 I12 Q13V4-E9 HydrophobicContact CG1-CB 4.08Å; D5-E9 PolarHBondContact O-N 3.19Å; E9-L11 PolarHBondContact O-N 3.43Å; E9-I12 PolarHBondContact O-N 3.42Å; E9-Q13 WeakPolarHBondContact O-CG 3.18Å; E9-Q13 PolarHBondContact O-N 2.82Å; E9-Q13 PolarHBondContact OE1-NE2 2.62Å
10T58.5Low54Low82 Ų8281.1 Ų81.150%0.50343%0.432SS..Hα-helixtrans-61-43.5177.6-58.20000111.5K6 K7 E8 I12 Q13 L14K6-T10 WeakPolarHBondContact O-CB 3.26Å; K6-T10 PolarHBondContact O-N 2.98Å; K6-T10 PolarHBondContact O-OG1 3.32Å; K7-T10 WeakPolarHBondContact O-CB 3.19Å; K7-T10 PolarHBondContact O-N 3.49Å; E8-T10 VanDerWaalsContact C-N 3.33Å; E8-T10 PolarHBondContact O-N 3.42Å; T10-I12 VanDerWaalsContact C-N 3.35Å; T10-I12 PolarHBondContact O-N 2.81Å; T10-Q13 PolarHBondContact O-N 3.42Å; T10-L14 WeakPolarHBondContact O-CB 3.38Å; T10-L14 PolarHBondContact O-N 3.47Å
11L53.8Low54.2Low46 Ų4681.7 Ų81.724%0.24144%0.435CS..Hα-helixtrans-61.3-44.5177.6-73.2169000111.7K7 E8 E9 Q13 L14 S15 F56 F64K7-L11 WeakPolarHBondContact O-CG 3.4Å; K7-L11 PolarHBondContact O-N 3.21Å; E8-L11 PolarHBondContact O-N 2.87Å; E9-L11 PolarHBondContact O-N 3.43Å; L11-Q13 VanDerWaalsContact C-N 3.35Å; L11-L14 PolarHBondContact O-N 2.91Å; L11-S15 PolarHBondContact O-N 3.14Å; L11-S15 PolarHBondContact O-OG 3.29Å; L11-F56 HydrophobicContact CD1-CE2 4.35Å; L11-F56 HydrophobicContact CD1-CZ 4.34Å; L11-F64 HydrophobicContact CD1-CE1 4.43Å; L11-F64 HydrophobicContact CD1-CZ 3.75Å; L11-F64 HydrophobicContact CD2-CE1 4.03Å; L11-F64 HydrophobicContact CD2-CZ 4.16Å; L11-F64 HydrophobicContact CG-CZ 4.45Å
12I57Low55.1Low15 Ų1573.5 Ų73.58%0.07740%0.396CS..Hα-helixtrans-64.4-43.9179.2-65.6164.2000110.4E8 E9 T10 S15 F16 Q49E8-I12 WeakPolarHBondContact O-CD1 3.41Å; E8-I12 WeakPolarHBondContact O-CG1 3.24Å; E8-I12 PolarHBondContact O-N 2.96Å; E9-I12 PolarHBondContact O-N 3.42Å; T10-I12 VanDerWaalsContact C-N 3.35Å; T10-I12 PolarHBondContact O-N 2.81Å; I12-S15 VanDerWaalsContact O-CB 3.29Å; I12-S15 WeakPolarHBondContact O-CB 3.49Å; I12-S15 PolarHBondContact O-N 3.38Å; I12-F16 HydrophobicContact CG2-CD2 3.94Å; I12-F16 HydrophobicContact CG2-CE2 3.77Å; I12-F16 VanDerWaalsContact O-CD2 3.23Å; I12-F16 WeakPolarHBondContact O-CD2 3.4Å; I12-F16 PolarHBondContact O-N 3.27Å; I12-F16 VanDerWaalsContact O-N 3.13Å; I12-Q49 HydrophobicContact CD1-CG 3.34Å; I12-Q49 VanDerWaalsContact CD1-NE2 3.32Å
13Q57.1Low55.7Low107 Ų10767.6 Ų67.650%0.537%0.367SS..Hα-helixtrans-60.7-45.6175.8-73.4174-6.900111.4E9 T10 L11 S15 F16 S17E9-Q13 WeakPolarHBondContact O-CG 3.18Å; E9-Q13 PolarHBondContact O-N 2.82Å; E9-Q13 PolarHBondContact OE1-NE2 2.62Å; T10-Q13 PolarHBondContact O-N 3.42Å; L11-Q13 VanDerWaalsContact C-N 3.35Å; Q13-S15 VanDerWaalsContact C-N 3.27Å; Q13-S15 PolarHBondContact O-N 3.47Å; Q13-F16 PolarHBondContact O-N 3.37Å; Q13-F16 VanDerWaalsContact O-N 3.16Å; Q13-S17 PolarHBondContact O-N 3.13Å; Q13-S17 PolarHBondContact O-OG 2.97Å
14L58.8Low56.5Low85 Ų8570 Ų7045%0.44536%0.361SS..Hα-helixtrans-58.8-40.5175.8-177.865.5000111.6T10 L11 F16 S17 I18T10-L14 WeakPolarHBondContact O-CB 3.38Å; T10-L14 PolarHBondContact O-N 3.47Å; L11-L14 PolarHBondContact O-N 2.91Å; L14-F16 VanDerWaalsContact C-N 3.33Å; L14-F16 PolarHBondContact O-N 2.99Å; L14-S17 PolarHBondContact O-N 2.94Å; L14-I18 HydrophobicContact CD1-CD1 4.24Å; L14-I18 HydrophobicContact CD1-CG1 4.48Å; L14-I18 HydrophobicContact CG-CD1 4.02Å; L14-I18 WeakPolarHBondContact O-CG1 3.3Å; L14-I18 PolarHBondContact O-N 3.4Å
15S58.8Low57.1Low9 Ų973.5 Ų73.56%0.06338%0.378CS..Hα-helixtrans-58.4-45.6176.5-44.30000111.8L11 I12 Q13 L19 M89L11-S15 PolarHBondContact O-N 3.14Å; L11-S15 PolarHBondContact O-OG 3.29Å; I12-S15 VanDerWaalsContact O-CB 3.29Å; I12-S15 WeakPolarHBondContact O-CB 3.49Å; I12-S15 PolarHBondContact O-N 3.38Å; Q13-S15 VanDerWaalsContact C-N 3.27Å; Q13-S15 PolarHBondContact O-N 3.47Å; S15-L19 VanDerWaalsContact O-CG 3.31Å; S15-L19 WeakPolarHBondContact O-CG 3.25Å; S15-L19 PolarHBondContact O-N 3.06Å; S15-L19 VanDerWaalsContact O-N 3.12Å; S15-M89 VanDerWaalsContact CB-SD 3.58Å; S15-M89 PolarHBondContact OG-SD 2.88Å
16F58.5Low57.2Low43 Ų4370.4 Ų70.419%0.18936%0.364CS..Hα-helixtrans-68.3-42.7178.3-81.3-71.5000111.8I12 Q13 L14 I18 L19 D20 F41I12-F16 HydrophobicContact CG2-CD2 3.94Å; I12-F16 HydrophobicContact CG2-CE2 3.77Å; I12-F16 VanDerWaalsContact O-CD2 3.23Å; I12-F16 WeakPolarHBondContact O-CD2 3.4Å; I12-F16 PolarHBondContact O-N 3.27Å; I12-F16 VanDerWaalsContact O-N 3.13Å; Q13-F16 PolarHBondContact O-N 3.37Å; Q13-F16 VanDerWaalsContact O-N 3.16Å; L14-F16 VanDerWaalsContact C-N 3.33Å; L14-F16 PolarHBondContact O-N 2.99Å; F16-I18 VanDerWaalsContact C-N 3.28Å; F16-I18 PolarHBondContact O-N 3.07Å; F16-L19 HydrophobicContact CD1-CD1 4.5Å; F16-L19 PolarHBondContact O-N 3.24Å; F16-L19 VanDerWaalsContact O-N 3.12Å; F16-D20 PolarHBondContact O-N 3.12Å; F16-F41 HydrophobicContact CE1-CD1 4.19Å; F16-F41 HydrophobicContact CE2-CD1 4Å; F16-F41 AromaticContact CE2-CE1 3.78Å; F16-F41 HydrophobicContact CE2-CE1 3.78Å; F16-F41 AromaticContact CZ-CD1 3.49Å; F16-F41 HydrophobicContact CZ-CD1 3.49Å; F16-F41 VanDerWaalsContact CZ-CD1 3.49Å; F16-F41 AromaticContact CZ-CE1 3.78Å; F16-F41 HydrophobicContact CZ-CE1 3.78Å
17S57.2Low57.7Low61 Ų6169.2 Ų69.243%0.42736%0.358SS..Hα-helixtrans-59.9-38.4176.7-62.60000112.5Q13 L14 D20 D21Q13-S17 PolarHBondContact O-N 3.13Å; Q13-S17 PolarHBondContact O-OG 2.97Å; L14-S17 PolarHBondContact O-N 2.94Å; S17-D20 PolarHBondContact O-N 3.45Å; S17-D21 WeakPolarHBondContact O-CB 3.26Å; S17-D21 PolarHBondContact O-N 3.21Å
18I62.1Low58.5Low43 Ų4369.8 Ų69.822%0.22137%0.367CS..Hα-helixtrans-70-37.8176.3-62.2165.9000111.4L14 F16 D20 D21 L22 V86L14-I18 HydrophobicContact CD1-CD1 4.24Å; L14-I18 HydrophobicContact CD1-CG1 4.48Å; L14-I18 HydrophobicContact CG-CD1 4.02Å; L14-I18 WeakPolarHBondContact O-CG1 3.3Å; L14-I18 PolarHBondContact O-N 3.4Å; F16-I18 VanDerWaalsContact C-N 3.28Å; F16-I18 PolarHBondContact O-N 3.07Å; I18-D20 VanDerWaalsContact C-N 3.34Å; I18-D21 PolarHBondContact O-N 2.82Å; I18-L22 HydrophobicContact CG2-CD1 4.06Å; I18-L22 HydrophobicContact CG2-CG 4.28Å; I18-L22 WeakPolarHBondContact O-CB 3.39Å; I18-L22 VanDerWaalsContact O-CG 3.24Å; I18-L22 WeakPolarHBondContact O-CG 3.2Å; I18-L22 PolarHBondContact O-N 2.88Å; I18-V86 HydrophobicContact CB-CG2 4.06Å; I18-V86 HydrophobicContact CD1-CG2 3.43Å; I18-V86 VanDerWaalsContact CD1-CG2 3.43Å; I18-V86 HydrophobicContact CG1-CG2 4.27Å; I18-V86 HydrophobicContact CG2-CB 4.41Å; I18-V86 HydrophobicContact CG2-CG1 4.07Å; I18-V86 HydrophobicContact CG2-CG2 3.46Å; I18-V86 VanDerWaalsContact CG2-CG2 3.46Å
19L60.2Low59.1Low20 Ų2074.9 Ų74.911%0.10539%0.391CS..Hα-helixtrans-63.3-41.8174.2-70164.3000111.7S15 F16 L22 C23 I34 F37 E38S15-L19 VanDerWaalsContact O-CG 3.31Å; S15-L19 WeakPolarHBondContact O-CG 3.25Å; S15-L19 PolarHBondContact O-N 3.06Å; S15-L19 VanDerWaalsContact O-N 3.12Å; F16-L19 HydrophobicContact CD1-CD1 4.5Å; F16-L19 PolarHBondContact O-N 3.24Å; F16-L19 VanDerWaalsContact O-N 3.12Å; L19-L22 PolarHBondContact O-N 3.48Å; L19-C23 VanDerWaalsContact O-CB 3.31Å; L19-C23 WeakPolarHBondContact O-CB 3.16Å; L19-C23 PolarHBondContact O-N 3.03Å; L19-I34 HydrophobicContact CB-CG2 4.5Å; L19-I34 HydrophobicContact CD2-CG2 4.43Å; L19-F37 HydrophobicContact CD1-CD1 3.82Å; L19-F37 HydrophobicContact CD1-CE1 3.61Å; L19-F37 HydrophobicContact CD2-CD1 3.81Å; L19-F37 HydrophobicContact CD2-CE1 3.98Å; L19-F37 HydrophobicContact CG-CD1 4.49Å; L19-F37 HydrophobicContact CG-CE1 4.44Å; L19-E38 HydrophobicContact CB-CG 4.34Å; L19-E38 HydrophobicContact CD1-CG 4.26Å
20D56.3Low59.1Low83 Ų8373.6 Ų73.644%0.44439%0.387SS..Hα-helixtrans-59.9-47.7174.9-71.3-31.9000110.5F16 S17 I18 L22 C23 L24F16-D20 PolarHBondContact O-N 3.12Å; S17-D20 PolarHBondContact O-N 3.45Å; I18-D20 VanDerWaalsContact C-N 3.34Å; D20-L22 PolarHBondContact O-N 3.09Å; D20-C23 WeakPolarHBondContact O-CB 3.3Å; D20-C23 PolarHBondContact O-N 3.5Å; D20-C23 VanDerWaalsContact O-N 3.14Å; D20-L24 WeakPolarHBondContact O-CG 3.21Å; D20-L24 PolarHBondContact O-N 2.81Å
21D58.3Low58.8Low94 Ų9472.6 Ų72.650%0.50338%0.376SS..Hα-helixtrans-62.7-40.7177.9-77.1-18.2000112.4S17 I18 L24 N25S17-D21 WeakPolarHBondContact O-CB 3.26Å; S17-D21 PolarHBondContact O-N 3.21Å; I18-D21 PolarHBondContact O-N 2.82Å; D21-L24 PolarHBondContact O-N 3.4Å; D21-N25 PolarHBondContact O-N 3.27Å; D21-N25 PolarHBondContact O-ND2 3.13Å
22L56.1Low59Low70 Ų7077.1 Ų77.137%0.36640%0.396SS..Hα-helixtrans-63.8-42.4173-72.5172.1000110.7I18 L19 D20 L24 N25 A26 I34 V86I18-L22 HydrophobicContact CG2-CD1 4.06Å; I18-L22 HydrophobicContact CG2-CG 4.28Å; I18-L22 WeakPolarHBondContact O-CB 3.39Å; I18-L22 VanDerWaalsContact O-CG 3.24Å; I18-L22 WeakPolarHBondContact O-CG 3.2Å; I18-L22 PolarHBondContact O-N 2.88Å; L19-L22 PolarHBondContact O-N 3.48Å; D20-L22 PolarHBondContact O-N 3.09Å; L22-L24 VanDerWaalsContact C-N 3.34Å; L22-L24 PolarHBondContact O-N 3Å; L22-N25 PolarHBondContact O-N 3.34Å; L22-A26 WeakPolarHBondContact O-CA 3.5Å; L22-A26 WeakPolarHBondContact O-CB 3.49Å; L22-A26 PolarHBondContact O-N 2.82Å; L22-I34 HydrophobicContact CB-CD1 4.03Å; L22-V86 HydrophobicContact CD1-CG1 4.22Å
23C54.7Low58.9Low25 Ų2581.5 Ų81.517%0.16942%0.418CS..Hα-helixtrans-64.7-37.3179.3-166.90000112.3L19 D20 K31 I34L19-C23 VanDerWaalsContact O-CB 3.31Å; L19-C23 WeakPolarHBondContact O-CB 3.16Å; L19-C23 PolarHBondContact O-N 3.03Å; D20-C23 WeakPolarHBondContact O-CB 3.3Å; D20-C23 PolarHBondContact O-N 3.5Å; D20-C23 VanDerWaalsContact O-N 3.14Å; C23-K31 WeakPolarHBondContact O-CE 3.49Å; C23-K31 PolarHBondContact O-NZ 3.04Å; C23-I34 HydrophobicContact CB-CB 4.5Å; C23-I34 HydrophobicContact CB-CD1 4.4Å; C23-I34 HydrophobicContact CB-CG2 3.83Å
24L65.1Low58.7Low125 Ų12577.6 Ų77.665%0.65440%0.401SS*.Hα-helixtrans-62.9-42.9176.6-74.2172.3000111.8D20 D21 L22D20-L24 WeakPolarHBondContact O-CG 3.21Å; D20-L24 PolarHBondContact O-N 2.81Å; D21-L24 PolarHBondContact O-N 3.4Å; L22-L24 VanDerWaalsContact C-N 3.34Å; L22-L24 PolarHBondContact O-N 3Å
25N58.3Low58.8Low143 Ų14377.7 Ų77.777%0.76540%0.4SS*.Hα-helixtrans-93-12.7-174.7-65.3-64.1000114.3D21 L22D21-N25 PolarHBondContact O-N 3.27Å; D21-N25 PolarHBondContact O-ND2 3.13Å; L22-N25 PolarHBondContact O-N 3.34Å
26A56.6Low58.8Low18 Ų1879.8 Ų79.815%0.14941%0.414CS..SBendtrans-64.3147.7179.100000112.8L22 D30 K31 I34L22-A26 WeakPolarHBondContact O-CA 3.5Å; L22-A26 WeakPolarHBondContact O-CB 3.49Å; L22-A26 PolarHBondContact O-N 2.82Å; A26-D30 HydrophobicContact CB-CB 3.76Å; A26-K31 HydrophobicContact CB-CG 3.82Å; A26-K31 WeakPolarHBondContact O-CE 3.35Å; A26-I34 HydrophobicContact CB-CD1 3.62Å
27K68.8Low58.8Low144 Ų14479.4 Ų79.463%0.62641%0.413SS*.  trans-64.9156.8164.4-63.2176.5-178.4173.60109.4E29 D30 K31K27-E29 HydrophobicContact CB-CG 4.26Å; K27-E29 PolarHBondContact O-N 3.19Å; K27-D30 WeakPolarHBondContact O-CB 3.17Å; K27-D30 PolarHBondContact O-N 2.75Å; K27-K31 WeakPolarHBondContact O-CG 3.45Å; K27-K31 PolarHBondContact O-N 3.46Å
28N71Confident58.9Low132 Ų13278.2 Ų78.271%0.70640%0.401SS*.Hα-helixtrans-55.4-31.2-175.9-72.3-17.3000114.3
29E62.4Low58.9Low132 Ų13281 Ų8162%0.61742%0.416SS*.Hα-helixtrans-69.6-44.9175.161.6-166.2166.100112.2K27 K31 Q32K27-E29 HydrophobicContact CB-CG 4.26Å; K27-E29 PolarHBondContact O-N 3.19Å; E29-K31 VanDerWaalsContact C-N 3.28Å; E29-K31 PolarHBondContact O-N 2.81Å; E29-Q32 PolarHBondContact O-N 3.04Å
30D51Low58.8Low68 Ų6884.8 Ų84.836%0.36443%0.432SS..Hα-helixtrans-64.5-33.3176.8-57.9-39.1000111.4A26 K27 Q32 I33 I34A26-D30 HydrophobicContact CB-CB 3.76Å; K27-D30 WeakPolarHBondContact O-CB 3.17Å; K27-D30 PolarHBondContact O-N 2.75Å; D30-Q32 VanDerWaalsContact C-N 3.27Å; D30-Q32 PolarHBondContact O-N 3.29Å; D30-I33 WeakPolarHBondContact O-CB 3.37Å; D30-I33 PolarHBondContact O-N 3.02Å; D30-I34 WeakPolarHBondContact O-CG1 3.22Å; D30-I34 PolarHBondContact O-N 2.86Å
31K53.6Low59Low62 Ų6281.3 Ų81.327%0.2741%0.412SS..Hα-helixtrans-57.7-38177.2-68.8-171.8-171.1-1510112.8C23 A26 K27 E29 I33 I34 M35C23-K31 WeakPolarHBondContact O-CE 3.49Å; C23-K31 PolarHBondContact O-NZ 3.04Å; A26-K31 HydrophobicContact CB-CG 3.82Å; A26-K31 WeakPolarHBondContact O-CE 3.35Å; K27-K31 WeakPolarHBondContact O-CG 3.45Å; K27-K31 PolarHBondContact O-N 3.46Å; E29-K31 VanDerWaalsContact C-N 3.28Å; E29-K31 PolarHBondContact O-N 2.81Å; K31-I33 VanDerWaalsContact C-N 3.31Å; K31-I33 PolarHBondContact O-N 2.77Å; K31-I34 PolarHBondContact O-N 2.83Å; K31-M35 WeakPolarHBondContact O-CB 3.26Å; K31-M35 VanDerWaalsContact O-CG 3.31Å; K31-M35 WeakPolarHBondContact O-CG 3.44Å; K31-M35 PolarHBondContact O-N 3.46Å
32Q56.2Low59.1Low140 Ų14080 Ų8065%0.65441%0.41SS*.Hα-helixtrans-67-35.6178.4-66.2-173.83.800111.9E29 D30 M35 S36E29-Q32 PolarHBondContact O-N 3.04Å; D30-Q32 VanDerWaalsContact C-N 3.27Å; D30-Q32 PolarHBondContact O-N 3.29Å; Q32-M35 HydrophobicContact CG-CE 4.31Å; Q32-S36 WeakPolarHBondContact O-CB 3.34Å; Q32-S36 PolarHBondContact O-N 2.88Å
33I55.4Low59.6Low108 Ų10885 Ų8555%0.55443%0.429SS*.Hα-helixtrans-65.1-47.1176-58.2175.4000109.4D30 K31 S36 F37D30-I33 WeakPolarHBondContact O-CB 3.37Å; D30-I33 PolarHBondContact O-N 3.02Å; K31-I33 VanDerWaalsContact C-N 3.31Å; K31-I33 PolarHBondContact O-N 2.77Å; I33-S36 PolarHBondContact O-N 3.46Å; I33-F37 WeakPolarHBondContact O-CB 3.49Å; I33-F37 PolarHBondContact O-N 2.79Å
34I53.4Low59.6Low24 Ų2485.1 Ų85.112%0.12343%0.429CS..Hα-helixtrans-63.5-49.1-180-61165.1000111L19 L22 C23 A26 D30 K31 S36 F37 E38L19-I34 HydrophobicContact CB-CG2 4.5Å; L19-I34 HydrophobicContact CD2-CG2 4.43Å; L22-I34 HydrophobicContact CB-CD1 4.03Å; C23-I34 HydrophobicContact CB-CB 4.5Å; C23-I34 HydrophobicContact CB-CD1 4.4Å; C23-I34 HydrophobicContact CB-CG2 3.83Å; A26-I34 HydrophobicContact CB-CD1 3.62Å; D30-I34 WeakPolarHBondContact O-CG1 3.22Å; D30-I34 PolarHBondContact O-N 2.86Å; K31-I34 PolarHBondContact O-N 2.83Å; I34-S36 PolarHBondContact O-N 2.9Å; I34-F37 WeakPolarHBondContact O-CA 3.47Å; I34-F37 WeakPolarHBondContact O-CB 3.31Å; I34-F37 PolarHBondContact O-N 3.35Å; I34-F37 VanDerWaalsContact O-N 3.13Å; I34-E38 PolarHBondContact O-N 3.45Å
35M60.5Low59.2Low87 Ų8783 Ų8343%0.42941%0.414SS..Hα-helixtrans-63.7-37.9177.2-70.1-175.1-61.200112.9K31 Q32 F37 E38 N39K31-M35 WeakPolarHBondContact O-CB 3.26Å; K31-M35 VanDerWaalsContact O-CG 3.31Å; K31-M35 WeakPolarHBondContact O-CG 3.44Å; K31-M35 PolarHBondContact O-N 3.46Å; Q32-M35 HydrophobicContact CG-CE 4.31Å; M35-F37 VanDerWaalsContact C-N 3.26Å; M35-F37 PolarHBondContact O-N 2.76Å; M35-E38 PolarHBondContact O-N 3.2Å; M35-N39 WeakPolarHBondContact O-CB 3.45Å; M35-N39 PolarHBondContact O-N 3.37Å; M35-N39 PolarHBondContact O-ND2 3Å
36S58.4Low59.2Low53 Ų5384.4 Ų84.437%0.37141%0.414SS..Hα-helixtrans-62.2-39.8175.1-1760000110.6Q32 I33 I34 K40Q32-S36 WeakPolarHBondContact O-CB 3.34Å; Q32-S36 PolarHBondContact O-N 2.88Å; I33-S36 PolarHBondContact O-N 3.46Å; I34-S36 PolarHBondContact O-N 2.9Å; S36-K40 VanDerWaalsContact O-CB 3.3Å; S36-K40 WeakPolarHBondContact O-CB 3.49Å; S36-K40 VanDerWaalsContact O-CG 3.24Å; S36-K40 WeakPolarHBondContact O-CG 3.3Å; S36-K40 PolarHBondContact O-N 3.38Å
37F60.1Low59.2Low35 Ų3588.9 Ų88.915%0.15443%0.43CS..Hα-helixtrans-65.2-51.2174.6179.6-89.8000112L19 I33 I34 M35 N39 K40 F41L19-F37 HydrophobicContact CD1-CD1 3.82Å; L19-F37 HydrophobicContact CD1-CE1 3.61Å; L19-F37 HydrophobicContact CD2-CD1 3.81Å; L19-F37 HydrophobicContact CD2-CE1 3.98Å; L19-F37 HydrophobicContact CG-CD1 4.49Å; L19-F37 HydrophobicContact CG-CE1 4.44Å; I33-F37 WeakPolarHBondContact O-CB 3.49Å; I33-F37 PolarHBondContact O-N 2.79Å; I34-F37 WeakPolarHBondContact O-CA 3.47Å; I34-F37 WeakPolarHBondContact O-CB 3.31Å; I34-F37 PolarHBondContact O-N 3.35Å; I34-F37 VanDerWaalsContact O-N 3.13Å; M35-F37 VanDerWaalsContact C-N 3.26Å; M35-F37 PolarHBondContact O-N 2.76Å; F37-N39 VanDerWaalsContact C-N 3.28Å; F37-N39 PolarHBondContact O-N 3.03Å; F37-K40 CarbonylContact O-C 3.56Å; F37-K40 WeakPolarHBondContact O-CA 3.46Å; F37-K40 WeakPolarHBondContact O-CB 3.28Å; F37-K40 PolarHBondContact O-N 2.86Å; F37-F41 HydrophobicContact CD1-CB 4.47Å; F37-F41 HydrophobicContact CE1-CB 4.13Å; F37-F41 AromaticContact CE1-CD2 3.94Å; F37-F41 HydrophobicContact CE1-CD2 3.94Å; F37-F41 HydrophobicContact CE1-CG 4.32Å; F37-F41 HydrophobicContact CZ-CB 4.49Å; F37-F41 AromaticContact CZ-CD2 3.82Å; F37-F41 HydrophobicContact CZ-CD2 3.82Å; F37-F41 WeakPolarHBondContact O-CB 3.38Å; F37-F41 PolarHBondContact O-N 3.42Å
38E58.8Low58.6Low37 Ų3782.4 Ų82.417%0.17340%0.402CS..Hα-helixtrans-55.3-43.3177.6-77.6172-17200112.3L19 I34 M35 F41 S42L19-E38 HydrophobicContact CB-CG 4.34Å; L19-E38 HydrophobicContact CD1-CG 4.26Å; I34-E38 PolarHBondContact O-N 3.45Å; M35-E38 PolarHBondContact O-N 3.2Å; E38-F41 PolarHBondContact O-N 2.9Å; E38-S42 WeakPolarHBondContact O-CB 3.38Å; E38-S42 PolarHBondContact O-N 2.96Å; E38-S42 PolarHBondContact O-OG 2.83Å
39N61.3Low57.6Low101 Ų10177.7 Ų77.754%0.5438%0.376SS..Hα-helixtrans-62.6-43.5176.2-80.5-53000111.8M35 F37 K43M35-N39 WeakPolarHBondContact O-CB 3.45Å; M35-N39 PolarHBondContact O-N 3.37Å; M35-N39 PolarHBondContact O-ND2 3Å; F37-N39 VanDerWaalsContact C-N 3.28Å; F37-N39 PolarHBondContact O-N 3.03Å; N39-K43 VanDerWaalsContact O-CG 3.26Å; N39-K43 WeakPolarHBondContact O-CG 3.45Å; N39-K43 PolarHBondContact O-N 2.8Å; N39-K43 VanDerWaalsContact O-N 3.13Å
40K59.2Low57.4Low100 Ų10075.2 Ų75.244%0.43537%0.366SS..Hα-helixtrans-67-42.5178-83.2179.9-172.9-176.20112.3S36 F37 N44 F97S36-K40 VanDerWaalsContact O-CB 3.3Å; S36-K40 WeakPolarHBondContact O-CB 3.49Å; S36-K40 VanDerWaalsContact O-CG 3.24Å; S36-K40 WeakPolarHBondContact O-CG 3.3Å; S36-K40 PolarHBondContact O-N 3.38Å; F37-K40 CarbonylContact O-C 3.56Å; F37-K40 WeakPolarHBondContact O-CA 3.46Å; F37-K40 WeakPolarHBondContact O-CB 3.28Å; F37-K40 PolarHBondContact O-N 2.86Å; K40-N44 PolarHBondContact O-N 3.41Å; K40-N44 PolarHBondContact O-ND2 3.11Å; K40-F97 HydrophobicContact CB-CE1 4.38Å; K40-F97 HydrophobicContact CB-CE2 4.05Å; K40-F97 HydrophobicContact CB-CZ 3.56Å; K40-F97 HydrophobicContact CD-CE1 4.26Å; K40-F97 HydrophobicContact CD-CZ 4.1Å; K40-F97 HydrophobicContact CG-CE1 4.37Å; K40-F97 HydrophobicContact CG-CZ 4.03Å
41F59.5Low57.7Low9 Ų976.4 Ų76.44%0.03937%0.367CS..Hα-helixtrans-66.4-46.9177.3-169.5-79.4000110.6F16 F37 E38 K43 N44 K45 I48F16-F41 HydrophobicContact CE1-CD1 4.19Å; F16-F41 HydrophobicContact CE2-CD1 4Å; F16-F41 AromaticContact CE2-CE1 3.78Å; F16-F41 HydrophobicContact CE2-CE1 3.78Å; F16-F41 AromaticContact CZ-CD1 3.49Å; F16-F41 HydrophobicContact CZ-CD1 3.49Å; F16-F41 VanDerWaalsContact CZ-CD1 3.49Å; F16-F41 AromaticContact CZ-CE1 3.78Å; F16-F41 HydrophobicContact CZ-CE1 3.78Å; F37-F41 HydrophobicContact CD1-CB 4.47Å; F37-F41 HydrophobicContact CE1-CB 4.13Å; F37-F41 AromaticContact CE1-CD2 3.94Å; F37-F41 HydrophobicContact CE1-CD2 3.94Å; F37-F41 HydrophobicContact CE1-CG 4.32Å; F37-F41 HydrophobicContact CZ-CB 4.49Å; F37-F41 AromaticContact CZ-CD2 3.82Å; F37-F41 HydrophobicContact CZ-CD2 3.82Å; F37-F41 WeakPolarHBondContact O-CB 3.38Å; F37-F41 PolarHBondContact O-N 3.42Å; E38-F41 PolarHBondContact O-N 2.9Å; F41-K43 VanDerWaalsContact C-N 3.3Å; F41-K43 PolarHBondContact O-N 3.27Å; F41-N44 CarbonylContact O-C 3.32Å; F41-N44 VanDerWaalsContact O-C 3.32Å; F41-N44 PolarHBondContact O-N 2.85Å; F41-K45 WeakPolarHBondContact O-CA 3.29Å; F41-K45 PolarHBondContact O-N 2.82Å; F41-I48 HydrophobicContact CB-CD1 4.49Å; F41-I48 HydrophobicContact CD1-CD1 4.38Å; F41-I48 HydrophobicContact CD2-CD1 3.35Å; F41-I48 HydrophobicContact CE2-CB 4.48Å; F41-I48 HydrophobicContact CE2-CD1 3.52Å; F41-I48 HydrophobicContact CE2-CG2 3.73Å; F41-I48 HydrophobicContact CG-CD1 3.83Å; F41-I48 HydrophobicContact CZ-CB 4.47Å; F41-I48 HydrophobicContact CZ-CD1 4.11Å; F41-I48 HydrophobicContact CZ-CG2 3.76Å
42S60.6Low57.7Low66 Ų6674.7 Ų74.746%0.46236%0.359SS..Hα-helixtrans-58.6-40.9177.7-64.40000112.3E38 N44 K45E38-S42 WeakPolarHBondContact O-CB 3.38Å; E38-S42 PolarHBondContact O-N 2.96Å; E38-S42 PolarHBondContact O-OG 2.83Å; S42-N44 VanDerWaalsContact C-N 3.28Å; S42-N44 PolarHBondContact O-N 2.91Å; S42-K45 PolarHBondContact O-N 3.18Å
43K66.2Low57.4Low175 Ų17569.2 Ų69.276%0.76133%0.334SS*.Hα-helixtrans-63.6-32.4174.7-75.6174.7-177.8-177.60113.2N39 F41N39-K43 VanDerWaalsContact O-CG 3.26Å; N39-K43 WeakPolarHBondContact O-CG 3.45Å; N39-K43 PolarHBondContact O-N 2.8Å; N39-K43 VanDerWaalsContact O-N 3.13Å; F41-K43 VanDerWaalsContact C-N 3.3Å; F41-K43 PolarHBondContact O-N 3.27Å
44N54.5Low57.3Low29 Ų2968.2 Ų68.216%0.15533%0.327CS..Hα-helixtrans-107.712.3-176.5-68-69.4000113.7K40 F41 S42 F46 K47 I48K40-N44 PolarHBondContact O-N 3.41Å; K40-N44 PolarHBondContact O-ND2 3.11Å; F41-N44 CarbonylContact O-C 3.32Å; F41-N44 VanDerWaalsContact O-C 3.32Å; F41-N44 PolarHBondContact O-N 2.85Å; S42-N44 VanDerWaalsContact C-N 3.28Å; S42-N44 PolarHBondContact O-N 2.91Å; N44-F46 PolarHBondContact O-N 2.78Å; N44-F46 VanDerWaalsContact O-N 3.09Å; N44-K47 WeakPolarHBondContact O-CB 3.41Å; N44-K47 PolarHBondContact O-N 3.2Å; N44-I48 HydrophobicContact CB-CD1 4.27Å; N44-I48 HydrophobicContact CB-CG1 4.43Å; N44-I48 PolarHBondContact O-N 2.9Å
45K56.8Low57.1Low81 Ų8168.5 Ų68.535%0.35233%0.331SS..Hα-helixtrans-49-45.5-172.1-177.5176.5179.5175.50112.3F41 S42 K47 I48 Q49F41-K45 WeakPolarHBondContact O-CA 3.29Å; F41-K45 PolarHBondContact O-N 2.82Å; S42-K45 PolarHBondContact O-N 3.18Å; K45-K47 PolarHBondContact O-N 2.89Å; K45-I48 PolarHBondContact O-N 3.12Å; K45-Q49 HydrophobicContact CG-CG 4.45Å; K45-Q49 WeakPolarHBondContact O-CB 3.04Å; K45-Q49 WeakPolarHBondContact O-CG 3.26Å; K45-Q49 PolarHBondContact O-N 3.35Å
46F59.7Low56.4Low172 Ų17266.5 Ų66.575%0.75432%0.32SS*.Hα-helixtrans-63.9-38.4178.6-70.3-73.8000113.9N44 N50N44-F46 PolarHBondContact O-N 2.78Å; N44-F46 VanDerWaalsContact O-N 3.09Å; F46-N50 VanDerWaalsContact O-CB 3.3Å; F46-N50 WeakPolarHBondContact O-CB 3.36Å; F46-N50 PolarHBondContact O-N 3.4Å
47K56.6Low55.9Low111 Ų11171.1 Ų71.148%0.48333%0.334SS..Hα-helixtrans-70.6-44178.6-65.6-179-176.1169.50110.8N44 K45 N50 Y51 E100N44-K47 WeakPolarHBondContact O-CB 3.41Å; N44-K47 PolarHBondContact O-N 3.2Å; K45-K47 PolarHBondContact O-N 2.89Å; K47-N50 PolarHBondContact O-N 2.9Å; K47-Y51 WeakPolarHBondContact O-CB 3.49Å; K47-Y51 PolarHBondContact O-N 3.03Å; K47-E100 WeakPolarHBondContact CD-OE1 3.44Å; K47-E100 WeakPolarHBondContact CE-OE1 3.43Å; K47-E100 IonicContact NZ-OE1 2.62Å; K47-E100 PolarHBondContact NZ-OE1 2.83Å; K47-E100 IonicContact NZ-OE2 3.43Å; K47-E100 PolarHBondContact NZ-OE2 3.25Å
48I54.6Low55.3Low9 Ų977 Ų775%0.04636%0.359CS..Hα-helixtrans-62.7-47.2177.1-64.5173.9000109.8F41 N44 K45 N50 Y51 F52 L96F41-I48 HydrophobicContact CB-CD1 4.49Å; F41-I48 HydrophobicContact CD1-CD1 4.38Å; F41-I48 HydrophobicContact CD2-CD1 3.35Å; F41-I48 HydrophobicContact CE2-CB 4.48Å; F41-I48 HydrophobicContact CE2-CD1 3.52Å; F41-I48 HydrophobicContact CE2-CG2 3.73Å; F41-I48 HydrophobicContact CG-CD1 3.83Å; F41-I48 HydrophobicContact CZ-CB 4.47Å; F41-I48 HydrophobicContact CZ-CD1 4.11Å; F41-I48 HydrophobicContact CZ-CG2 3.76Å; N44-I48 HydrophobicContact CB-CD1 4.27Å; N44-I48 HydrophobicContact CB-CG1 4.43Å; N44-I48 PolarHBondContact O-N 2.9Å; K45-I48 PolarHBondContact O-N 3.12Å; I48-N50 VanDerWaalsContact C-N 3.34Å; I48-N50 PolarHBondContact O-N 3.22Å; I48-Y51 WeakPolarHBondContact O-CB 3.19Å; I48-Y51 PolarHBondContact O-N 3.46Å; I48-F52 HydrophobicContact CG2-CD2 3.59Å; I48-F52 HydrophobicContact CG2-CE2 3.41Å; I48-F52 VanDerWaalsContact CG2-CE2 3.41Å; I48-F52 WeakPolarHBondContact O-CD2 3.11Å; I48-F52 PolarHBondContact O-N 3.43Å; I48-L96 HydrophobicContact CG1-CD1 4.33Å
49Q51.5Low54.5Low33 Ų3380.3 Ų80.315%0.15438%0.378CS..Hα-helixtrans-52.3-50.9170.2-82.6173.6-22.700111.7I12 K45 Y51 F52 N53I12-Q49 HydrophobicContact CD1-CG 3.34Å; I12-Q49 VanDerWaalsContact CD1-NE2 3.32Å; K45-Q49 HydrophobicContact CG-CG 4.45Å; K45-Q49 WeakPolarHBondContact O-CB 3.04Å; K45-Q49 WeakPolarHBondContact O-CG 3.26Å; K45-Q49 PolarHBondContact O-N 3.35Å; Q49-Y51 VanDerWaalsContact C-N 3.33Å; Q49-Y51 PolarHBondContact O-N 3.3Å; Q49-F52 PolarHBondContact O-N 2.85Å; Q49-N53 WeakPolarHBondContact O-CB 3.29Å; Q49-N53 PolarHBondContact O-N 3.24Å; Q49-N53 PolarHBondContact O-OD1 2.78Å
50N57.1Low53.7Low79 Ų7978.5 Ų78.542%0.42238%0.383SS..Hα-helixtrans-63.5-38.6179.7-171.137000112.5F46 K47 I48 N53 Q54F46-N50 VanDerWaalsContact O-CB 3.3Å; F46-N50 WeakPolarHBondContact O-CB 3.36Å; F46-N50 PolarHBondContact O-N 3.4Å; K47-N50 PolarHBondContact O-N 2.9Å; I48-N50 VanDerWaalsContact C-N 3.34Å; I48-N50 PolarHBondContact O-N 3.22Å; N50-N53 PolarHBondContact O-N 3.33Å; N50-Q54 PolarHBondContact ND2-NE2 3.14Å; N50-Q54 VanDerWaalsContact ND2-NE2 3.12Å; N50-Q54 WeakPolarHBondContact O-CB 3.4Å; N50-Q54 VanDerWaalsContact O-CG 3.26Å; N50-Q54 WeakPolarHBondContact O-CG 3.09Å; N50-Q54 PolarHBondContact O-N 2.88Å; N50-Q54 PolarHBondContact OD1-NE2 3.38Å
51Y56.7Low52.7Low94 Ų9479 Ų7937%0.36939%0.39SS..Hα-helixtrans-62.4-45.8174.9176.1-94000111.4K47 I48 Q49 Q54 S55 V92 L96K47-Y51 WeakPolarHBondContact O-CB 3.49Å; K47-Y51 PolarHBondContact O-N 3.03Å; I48-Y51 WeakPolarHBondContact O-CB 3.19Å; I48-Y51 PolarHBondContact O-N 3.46Å; Q49-Y51 VanDerWaalsContact C-N 3.33Å; Q49-Y51 PolarHBondContact O-N 3.3Å; Y51-Q54 PolarHBondContact O-N 3.48Å; Y51-S55 WeakPolarHBondContact CE1-OG 3.24Å; Y51-S55 VanDerWaalsContact O-CB 3.24Å; Y51-S55 WeakPolarHBondContact O-CB 3.22Å; Y51-S55 PolarHBondContact O-N 2.81Å; Y51-S55 PolarHBondContact O-OG 3.07Å; Y51-V92 HydrophobicContact CD1-CG1 3.8Å; Y51-V92 HydrophobicContact CE1-CG1 3.39Å; Y51-L96 HydrophobicContact CD1-CD1 4.06Å; Y51-L96 HydrophobicContact CD2-CD2 3.76Å; Y51-L96 HydrophobicContact CE2-CD2 4.1Å; Y51-L96 HydrophobicContact CG-CD1 4.01Å; Y51-L96 HydrophobicContact CG-CD2 4.04Å
52F53.7Low51.6Low26 Ų2682.5 Ų82.511%0.11441%0.408CS..Hα-helixtrans-60.4-50.8173.5-81.8-61000110.6I48 Q49 Q54 S55 F56 M89I48-F52 HydrophobicContact CG2-CD2 3.59Å; I48-F52 HydrophobicContact CG2-CE2 3.41Å; I48-F52 VanDerWaalsContact CG2-CE2 3.41Å; I48-F52 WeakPolarHBondContact O-CD2 3.11Å; I48-F52 PolarHBondContact O-N 3.43Å; Q49-F52 PolarHBondContact O-N 2.85Å; F52-Q54 PolarHBondContact O-N 3.46Å; F52-S55 PolarHBondContact O-N 3.37Å; F52-S55 VanDerWaalsContact O-N 3.11Å; F52-F56 HydrophobicContact CB-CD2 3.76Å; F52-F56 HydrophobicContact CB-CE2 3.72Å; F52-F56 AromaticContact CD1-CD2 3.96Å; F52-F56 HydrophobicContact CD1-CD2 3.96Å; F52-F56 AromaticContact CD1-CE2 3.17Å; F52-F56 HydrophobicContact CD1-CE2 3.17Å; F52-F56 AromaticContact CD1-CZ 3.76Å; F52-F56 HydrophobicContact CD1-CZ 3.76Å; F52-F56 HydrophobicContact CE1-CE2 4.03Å; F52-F56 HydrophobicContact CE1-CZ 4.21Å; F52-F56 HydrophobicContact CG-CD2 4.32Å; F52-F56 AromaticContact CG-CE2 3.78Å; F52-F56 HydrophobicContact CG-CE2 3.78Å; F52-F56 VanDerWaalsContact O-CB 3.29Å; F52-F56 WeakPolarHBondContact O-CB 3.38Å; F52-F56 WeakPolarHBondContact O-CD2 3.17Å; F52-F56 WeakPolarHBondContact O-CG 3.24Å; F52-F56 PolarHBondContact O-N 3.15Å; F52-M89 HydrophobicContact CZ-CG 4.21Å
53N50.5Low50.6Low25 Ų2582.8 Ų82.813%0.13441%0.405CS..Hα-helixtrans-56.5-38.1178.8-65.53.5000111.8E8 Q49 N50 K57E8-N53 PolarHBondContact OE1-OD1 3.37Å; E8-N53 VanDerWaalsContact OE1-OD1 3.09Å; E8-N53 PolarHBondContact OE2-OD1 2.9Å; E8-N53 VanDerWaalsContact OE2-OD1 3.1Å; Q49-N53 WeakPolarHBondContact O-CB 3.29Å; Q49-N53 PolarHBondContact O-N 3.24Å; Q49-N53 PolarHBondContact O-OD1 2.78Å; N50-N53 PolarHBondContact O-N 3.33Å; N53-K57 WeakPolarHBondContact O-CB 3.46Å; N53-K57 VanDerWaalsContact O-CD 3.26Å; N53-K57 WeakPolarHBondContact O-CD 3.45Å; N53-K57 WeakPolarHBondContact O-CG 3.2Å; N53-K57 PolarHBondContact O-N 2.82Å
54Q53.7Low49.3Very low87 Ų8779.1 Ų79.141%0.40739%0.389SS..Hα-helixtrans-74.9-43.2176.4-72.518030.900112.6N50 Y51 F52 K58N50-Q54 PolarHBondContact ND2-NE2 3.14Å; N50-Q54 VanDerWaalsContact ND2-NE2 3.12Å; N50-Q54 WeakPolarHBondContact O-CB 3.4Å; N50-Q54 VanDerWaalsContact O-CG 3.26Å; N50-Q54 WeakPolarHBondContact O-CG 3.09Å; N50-Q54 PolarHBondContact O-N 2.88Å; N50-Q54 PolarHBondContact OD1-NE2 3.38Å; Y51-Q54 PolarHBondContact O-N 3.48Å; F52-Q54 PolarHBondContact O-N 3.46Å; Q54-K58 WeakPolarHBondContact O-CB 3.28Å; Q54-K58 VanDerWaalsContact O-CG 3.24Å; Q54-K58 WeakPolarHBondContact O-CG 3.31Å; Q54-K58 PolarHBondContact O-N 2.82Å
55S49Very low48.4Very low29 Ų2984.3 Ų84.320%0.20342%0.417CS..Hα-helixtrans-69.4-43.4-177.6-60.10000111.7Y51 F52 N59Y51-S55 WeakPolarHBondContact CE1-OG 3.24Å; Y51-S55 VanDerWaalsContact O-CB 3.24Å; Y51-S55 WeakPolarHBondContact O-CB 3.22Å; Y51-S55 PolarHBondContact O-N 2.81Å; Y51-S55 PolarHBondContact O-OG 3.07Å; F52-S55 PolarHBondContact O-N 3.37Å; F52-S55 VanDerWaalsContact O-N 3.11Å; S55-N59 WeakPolarHBondContact O-CB 3.29Å; S55-N59 PolarHBondContact O-N 3.33Å
56F46.2Very low47.4Very low46 Ų4687.5 Ų87.520%0.20243%0.431CS..Hα-helixtrans-67.1-45.1175.4-72.3-59000111.8L11 F52 G60 L61 I62L11-F56 HydrophobicContact CD1-CE2 4.35Å; L11-F56 HydrophobicContact CD1-CZ 4.34Å; F52-F56 HydrophobicContact CB-CD2 3.76Å; F52-F56 HydrophobicContact CB-CE2 3.72Å; F52-F56 AromaticContact CD1-CD2 3.96Å; F52-F56 HydrophobicContact CD1-CD2 3.96Å; F52-F56 AromaticContact CD1-CE2 3.17Å; F52-F56 HydrophobicContact CD1-CE2 3.17Å; F52-F56 AromaticContact CD1-CZ 3.76Å; F52-F56 HydrophobicContact CD1-CZ 3.76Å; F52-F56 HydrophobicContact CE1-CE2 4.03Å; F52-F56 HydrophobicContact CE1-CZ 4.21Å; F52-F56 HydrophobicContact CG-CD2 4.32Å; F52-F56 AromaticContact CG-CE2 3.78Å; F52-F56 HydrophobicContact CG-CE2 3.78Å; F52-F56 VanDerWaalsContact O-CB 3.29Å; F52-F56 WeakPolarHBondContact O-CB 3.38Å; F52-F56 WeakPolarHBondContact O-CD2 3.17Å; F52-F56 WeakPolarHBondContact O-CG 3.24Å; F52-F56 PolarHBondContact O-N 3.15Å; F56-G60 PolarHBondContact O-N 2.97Å; F56-G60 VanDerWaalsContact O-N 3.17Å; F56-L61 WeakPolarHBondContact CD1-O 3.18Å; F56-L61 VanDerWaalsContact CE1-O 3.31Å; F56-L61 WeakPolarHBondContact CE1-O 3.46Å; F56-I62 HydrophobicContact CE1-CB 4.34Å; F56-I62 HydrophobicContact CE1-CD1 3.83Å; F56-I62 HydrophobicContact CE1-CG1 4.22Å; F56-I62 HydrophobicContact CZ-CD1 4.29Å
57K48.2Very low46.2Very low149 Ų14988.5 Ų88.565%0.64844%0.435SS*.Hα-helixtrans-67.5-35.7177.7-71.9175.5-172.9-179.80113.3N53N53-K57 WeakPolarHBondContact O-CB 3.46Å; N53-K57 VanDerWaalsContact O-CD 3.26Å; N53-K57 WeakPolarHBondContact O-CD 3.45Å; N53-K57 WeakPolarHBondContact O-CG 3.2Å; N53-K57 PolarHBondContact O-N 2.82Å
58K47.9Very low45.3Very low160 Ų16087 Ų8770%0.69644%0.435SS*.Hα-helixtrans-80.3-36.6-177.5-76-179175.6178.90113.3Q54Q54-K58 WeakPolarHBondContact O-CB 3.28Å; Q54-K58 VanDerWaalsContact O-CG 3.24Å; Q54-K58 WeakPolarHBondContact O-CG 3.31Å; Q54-K58 PolarHBondContact O-N 2.82Å
59N42Very low44.4Very low105 Ų10590.5 Ų90.556%0.56146%0.458SS*.Hα-helixtrans-115.3-4.8-166.9-64.1-32.2000115.1S55 L61S55-N59 WeakPolarHBondContact O-CB 3.29Å; S55-N59 PolarHBondContact O-N 3.33Å; N59-L61 HydrophobicContact CB-CB 4.38Å; N59-L61 HydrophobicContact CB-CD1 3.54Å; N59-L61 HydrophobicContact CB-CG 3.67Å; N59-L61 PolarHBondContact O-N 3.28Å
60G42.6Very low43.7Very low63 Ų6397.2 Ų97.265%0.64950%0.495SS*.  trans53.521.6-178.400000113.2F56 I62F56-G60 PolarHBondContact O-N 2.97Å; F56-G60 VanDerWaalsContact O-N 3.17Å; G60-I62 PolarHBondContact O-N 3.16Å
61L38.1Very low42.5Very low111 Ų11196.8 Ų96.858%0.58149%0.493SS*.  trans-77112.2-177.5-73167.6000106.1F56 N59F56-L61 WeakPolarHBondContact CD1-O 3.18Å; F56-L61 VanDerWaalsContact CE1-O 3.31Å; F56-L61 WeakPolarHBondContact CE1-O 3.46Å; N59-L61 HydrophobicContact CB-CB 4.38Å; N59-L61 HydrophobicContact CB-CD1 3.54Å; N59-L61 HydrophobicContact CB-CG 3.67Å; N59-L61 PolarHBondContact O-N 3.28Å
62I38Very low41.6Very low83 Ų8397.2 Ų97.243%0.42651%0.509SS..  trans95.786.9-170.7-45.5177.5000112.8F56 G60 F64F56-I62 HydrophobicContact CE1-CB 4.34Å; F56-I62 HydrophobicContact CE1-CD1 3.83Å; F56-I62 HydrophobicContact CE1-CG1 4.22Å; F56-I62 HydrophobicContact CZ-CD1 4.29Å; G60-I62 PolarHBondContact O-N 3.16Å; I62-F64 HydrophobicContact CB-CD2 4.36Å; I62-F64 HydrophobicContact CB-CE1 4.47Å; I62-F64 HydrophobicContact CB-CE2 3.91Å; I62-F64 HydrophobicContact CB-CZ 3.96Å; I62-F64 HydrophobicContact CD1-CZ 4.26Å; I62-F64 HydrophobicContact CG2-CD1 3.64Å; I62-F64 HydrophobicContact CG2-CD2 3.73Å; I62-F64 HydrophobicContact CG2-CE1 3.48Å; I62-F64 VanDerWaalsContact CG2-CE1 3.48Å; I62-F64 HydrophobicContact CG2-CE2 3.57Å; I62-F64 HydrophobicContact CG2-CG 3.75Å; I62-F64 HydrophobicContact CG2-CZ 3.43Å; I62-F64 VanDerWaalsContact CG2-CZ 3.43Å; I62-F64 WeakPolarHBondContact O-CD2 3Å; I62-F64 PolarHBondContact O-N 2.86Å
63D39.8Very low40.6Very low71 Ų71101.2 Ų101.238%0.3854%0.536SS..  trans-75.395.5155.1180-8.5000107.6D65 K66D63-D65 PolarHBondContact O-N 2.89Å; D63-D65 WeakPolarHBondContact OD1-CA 3.4Å; D63-D65 WeakPolarHBondContact OD1-CB 3.31Å; D63-D65 PolarHBondContact OD1-N 3.11Å; D63-K66 HydrophobicContact CB-CB 4.24Å; D63-K66 HydrophobicContact CB-CD 4.01Å; D63-K66 HydrophobicContact CB-CG 4.19Å; D63-K66 WeakPolarHBondContact O-CB 3.24Å; D63-K66 PolarHBondContact O-N 3.13Å; D63-K66 VanDerWaalsContact O-N 3.13Å; D63-K66 PolarHBondContact OD1-N 3.1Å; D63-K66 VanDerWaalsContact OD1-N 3.13Å; D63-K66 WeakPolarHBondContact OD2-CD 3.42Å; D63-K66 WeakPolarHBondContact OD2-CE 3.11Å; D63-K66 VanDerWaalsContact OD2-CG 3.29Å; D63-K66 WeakPolarHBondContact OD2-CG 3.24Å; D63-K66 IonicContact OD2-NZ 3.87Å
64F37.3Very low39.8Very low98 Ų98107.3 Ų107.343%0.4356%0.561SS.*THydrogen-bonded Turntrans-65.4-14.4178.1-68.2-84.5000113.1L11 I62L11-F64 HydrophobicContact CD1-CE1 4.43Å; L11-F64 HydrophobicContact CD1-CZ 3.75Å; L11-F64 HydrophobicContact CD2-CE1 4.03Å; L11-F64 HydrophobicContact CD2-CZ 4.16Å; L11-F64 HydrophobicContact CG-CZ 4.45Å; I62-F64 HydrophobicContact CB-CD2 4.36Å; I62-F64 HydrophobicContact CB-CE1 4.47Å; I62-F64 HydrophobicContact CB-CE2 3.91Å; I62-F64 HydrophobicContact CB-CZ 3.96Å; I62-F64 HydrophobicContact CD1-CZ 4.26Å; I62-F64 HydrophobicContact CG2-CD1 3.64Å; I62-F64 HydrophobicContact CG2-CD2 3.73Å; I62-F64 HydrophobicContact CG2-CE1 3.48Å; I62-F64 VanDerWaalsContact CG2-CE1 3.48Å; I62-F64 HydrophobicContact CG2-CE2 3.57Å; I62-F64 HydrophobicContact CG2-CG 3.75Å; I62-F64 HydrophobicContact CG2-CZ 3.43Å; I62-F64 VanDerWaalsContact CG2-CZ 3.43Å; I62-F64 WeakPolarHBondContact O-CD2 3Å; I62-F64 PolarHBondContact O-N 2.86Å
65D35.9Very low38.8Very low138 Ų138104.7 Ų104.774%0.73855%0.552SS**THydrogen-bonded Turntrans-84.5-20.6175.9-61.9-35.8000111.3D63 K67D63-D65 PolarHBondContact O-N 2.89Å; D63-D65 WeakPolarHBondContact OD1-CA 3.4Å; D63-D65 WeakPolarHBondContact OD1-CB 3.31Å; D63-D65 PolarHBondContact OD1-N 3.11Å; D65-K67 PolarHBondContact O-N 3.09Å
66K35.8Very low38.1Very low149 Ų149114.7 Ų114.765%0.64859%0.587SS**SBendtrans-70102.3161.4-79.3173.7-170.4170.30107.7D63 V68D63-K66 HydrophobicContact CB-CB 4.24Å; D63-K66 HydrophobicContact CB-CD 4.01Å; D63-K66 HydrophobicContact CB-CG 4.19Å; D63-K66 WeakPolarHBondContact O-CB 3.24Å; D63-K66 PolarHBondContact O-N 3.13Å; D63-K66 VanDerWaalsContact O-N 3.13Å; D63-K66 PolarHBondContact OD1-N 3.1Å; D63-K66 VanDerWaalsContact OD1-N 3.13Å; D63-K66 WeakPolarHBondContact OD2-CD 3.42Å; D63-K66 WeakPolarHBondContact OD2-CE 3.11Å; D63-K66 VanDerWaalsContact OD2-CG 3.29Å; D63-K66 WeakPolarHBondContact OD2-CG 3.24Å; D63-K66 IonicContact OD2-NZ 3.87Å; K66-V68 PolarHBondContact O-N 3.29Å
67K34.6Very low37.7Very low193 Ų193114.9 Ų114.984%0.83960%0.602SS**  trans-39.9114.9161.5-67.1-176.1179.2-176.70107.5D65 P69D65-K67 PolarHBondContact O-N 3.09Å; K67-P69 VanDerWaalsContact O-N 3.09Å
68V39Very low37.1Very low80 Ų80116 Ų11649%0.48562%0.615SS.*  trans-45124163.1177.50000105.1K66 N70 C81K66-V68 PolarHBondContact O-N 3.29Å; V68-N70 PolarHBondContact O-N 3.17Å; V68-C81 HydrophobicContact CG1-CB 3.95Å
69P35.3Very low36.4Very low81 Ų81115.1 Ų115.153%0.52661%0.608SS.*  trans-51.3118.9-177.5-25.132.7000107.7K67 D71K67-P69 VanDerWaalsContact O-N 3.09Å; P69-D71 HydrophobicContact CB-CB 4.39Å; P69-D71 PolarHBondContact O-N 3.17Å
70N35.3Very low36.2Very low175 Ų175113.3 Ų113.394%0.93660%0.604SS**SBendtrans-66.88.9177.5-149.234.4000112.1V68 S72V68-N70 PolarHBondContact O-N 3.17Å; N70-S72 PolarHBondContact O-N 3.49Å
71D32.8Very low35.9Very low70 Ų70113 Ų11337%0.37459%0.592SS.*  trans-88.894.5175.6-175.23.1000107.5P69 T73 K74P69-D71 HydrophobicContact CB-CB 4.39Å; P69-D71 PolarHBondContact O-N 3.17Å; D71-T73 PolarHBondContact O-N 3.37Å; D71-T73 WeakPolarHBondContact OD1-CB 3.42Å; D71-T73 WeakPolarHBondContact OD1-CG2 3.46Å; D71-T73 PolarHBondContact OD1-N 2.95Å; D71-T73 PolarHBondContact OD1-OG1 3.3Å; D71-T73 PolarHBondContact OD2-OG1 3.47Å; D71-K74 PolarHBondContact O-N 3.33Å; D71-K74 VanDerWaalsContact O-N 3.16Å
72S37Very low35.9Very low103 Ų103114.9 Ų114.972%0.7260%0.597SS**THydrogen-bonded Turntrans-59.2-3176.9550000114.1N70 C75N70-S72 PolarHBondContact O-N 3.49Å; S72-C75 PolarHBondContact O-SG 2.64Å
73T34.1Very low35.9Very low109 Ų109114.5 Ų114.567%0.66959%0.593SS**THydrogen-bonded Turntrans-85.9-14.1176.570.10000113.6D71 C75D71-T73 PolarHBondContact O-N 3.37Å; D71-T73 WeakPolarHBondContact OD1-CB 3.42Å; D71-T73 WeakPolarHBondContact OD1-CG2 3.46Å; D71-T73 PolarHBondContact OD1-N 2.95Å; D71-T73 PolarHBondContact OD1-OG1 3.3Å; D71-T73 PolarHBondContact OD2-OG1 3.47Å; T73-C75 VanDerWaalsContact C-N 3.3Å; T73-C75 PolarHBondContact O-N 3.23Å
74K33Very low35.9Very low153 Ų153112.9 Ų112.967%0.66559%0.592SS**SBendtrans-96.931.2178.9-64.6-172.6-176.9178.50113.1D71D71-K74 PolarHBondContact O-N 3.33Å; D71-K74 VanDerWaalsContact O-N 3.16Å
75C33.8Very low36.1Very low32 Ų32111.8 Ų111.822%0.21659%0.588CS.*SBendtrans-77.3147.1172.5-650000110.6S72 T73 G77 Y79S72-C75 PolarHBondContact O-SG 2.64Å; T73-C75 VanDerWaalsContact C-N 3.3Å; T73-C75 PolarHBondContact O-N 3.23Å; C75-G77 WeakPolarHBondContact CB-O 3.25Å; C75-G77 PolarHBondContact O-N 2.89Å; C75-Y79 VanDerWaalsContact CB-O 3.25Å; C75-Y79 WeakPolarHBondContact CB-O 3.36Å; C75-Y79 PolarHBondContact SG-O 3.43Å
76Y33.4Very low36.6Very low239 Ų239106 Ų10694%0.93756%0.559SS**SBendtrans-69.882.2163.9-74.3-87.6000108.1
77G37.3Very low37Very low50 Ų50101.2 Ų101.252%0.51554%0.542SS..SBendtrans74.8-168-172.600000113.7C75 Y79C75-G77 WeakPolarHBondContact CB-O 3.25Å; C75-G77 PolarHBondContact O-N 2.89Å; G77-Y79 PolarHBondContact O-N 3.32Å
78D36.3Very low37.7Very low172 Ų17297.3 Ų97.392%0.9253%0.525SS*.SBendtrans-73.122.1-167.8-64.3-40.1000116
79Y33.7Very low38.3Very low142 Ų14295.1 Ų95.156%0.55751%0.509SS*.SBendtrans-105.2137.1-177.5-64-70.1000112C75 G77 F83C75-Y79 VanDerWaalsContact CB-O 3.25Å; C75-Y79 WeakPolarHBondContact CB-O 3.36Å; C75-Y79 PolarHBondContact SG-O 3.43Å; G77-Y79 PolarHBondContact O-N 3.32Å; Y79-F83 AromaticContact CD1-CD1 3.14Å; Y79-F83 HydrophobicContact CD1-CD1 3.14Å; Y79-F83 AromaticContact CD1-CE1 3.17Å; Y79-F83 HydrophobicContact CD1-CE1 3.17Å; Y79-F83 HydrophobicContact CD1-CG 4.01Å; Y79-F83 HydrophobicContact CD1-CZ 4.1Å; Y79-F83 HydrophobicContact CD2-CD1 4.39Å; Y79-F83 HydrophobicContact CD2-CE1 4.41Å; Y79-F83 AromaticContact CE1-CD1 3.83Å; Y79-F83 HydrophobicContact CE1-CD1 3.83Å; Y79-F83 AromaticContact CE1-CE1 3.31Å; Y79-F83 HydrophobicContact CE1-CE1 3.31Å; Y79-F83 AromaticContact CE1-CZ 3.98Å; Y79-F83 HydrophobicContact CE1-CZ 3.98Å; Y79-F83 AromaticContact CG-CD1 3.47Å; Y79-F83 HydrophobicContact CG-CD1 3.47Å; Y79-F83 VanDerWaalsContact CG-CD1 3.47Å; Y79-F83 AromaticContact CG-CE1 3.77Å; Y79-F83 HydrophobicContact CG-CE1 3.77Å; Y79-F83 HydrophobicContact CG-CG 4.49Å
80S37.5Very low39Very low68 Ų6896.1 Ų96.148%0.47651%0.506SS..  trans-60.7147.5171.160.50000110.3E82 F83 G84S80-E82 PolarHBondContact O-N 3.16Å; S80-E82 VanDerWaalsContact O-N 3.15Å; S80-F83 WeakPolarHBondContact O-CA 2.99Å; S80-F83 WeakPolarHBondContact O-CB 3.26Å; S80-F83 PolarHBondContact O-N 3.13Å; S80-G84 PolarHBondContact O-N 3.25Å
81C36Very low39.5Very low57 Ų5791.9 Ų91.939%0.38548%0.482SS..Hα-helixtrans-55.5-33.5-179.6-75.50000113V68 F83 G84 E85V68-C81 HydrophobicContact CG1-CB 3.95Å; C81-F83 VanDerWaalsContact C-N 3.31Å; C81-F83 PolarHBondContact O-N 3.36Å; C81-G84 PolarHBondContact O-N 3Å; C81-G84 VanDerWaalsContact O-N 3.15Å; C81-E85 PolarHBondContact O-N 3.31Å
82E38.4Very low40.4Very low150 Ų15089 Ų8970%0.70147%0.467SS*.Hα-helixtrans-60.9-38.4173.3-65.4172.7169.900112S80 V86S80-E82 PolarHBondContact O-N 3.16Å; S80-E82 VanDerWaalsContact O-N 3.15Å; E82-V86 VanDerWaalsContact O-CG2 3.24Å; E82-V86 WeakPolarHBondContact O-CG2 3.03Å; E82-V86 PolarHBondContact O-N 3.27Å
83F37.4Very low41.1Very low75 Ų7584.2 Ų84.233%0.32943%0.434SS..Hα-helixtrans-73.2-36.2173.5-170.1-96.3000111.8Y79 S80 C81 E85 V86 V87Y79-F83 AromaticContact CD1-CD1 3.14Å; Y79-F83 HydrophobicContact CD1-CD1 3.14Å; Y79-F83 AromaticContact CD1-CE1 3.17Å; Y79-F83 HydrophobicContact CD1-CE1 3.17Å; Y79-F83 HydrophobicContact CD1-CG 4.01Å; Y79-F83 HydrophobicContact CD1-CZ 4.1Å; Y79-F83 HydrophobicContact CD2-CD1 4.39Å; Y79-F83 HydrophobicContact CD2-CE1 4.41Å; Y79-F83 AromaticContact CE1-CD1 3.83Å; Y79-F83 HydrophobicContact CE1-CD1 3.83Å; Y79-F83 AromaticContact CE1-CE1 3.31Å; Y79-F83 HydrophobicContact CE1-CE1 3.31Å; Y79-F83 AromaticContact CE1-CZ 3.98Å; Y79-F83 HydrophobicContact CE1-CZ 3.98Å; Y79-F83 AromaticContact CG-CD1 3.47Å; Y79-F83 HydrophobicContact CG-CD1 3.47Å; Y79-F83 VanDerWaalsContact CG-CD1 3.47Å; Y79-F83 AromaticContact CG-CE1 3.77Å; Y79-F83 HydrophobicContact CG-CE1 3.77Å; Y79-F83 HydrophobicContact CG-CG 4.49Å; S80-F83 WeakPolarHBondContact O-CA 2.99Å; S80-F83 WeakPolarHBondContact O-CB 3.26Å; S80-F83 PolarHBondContact O-N 3.13Å; C81-F83 VanDerWaalsContact C-N 3.31Å; C81-F83 PolarHBondContact O-N 3.36Å; F83-E85 VanDerWaalsContact C-N 3.29Å; F83-E85 PolarHBondContact O-N 2.86Å; F83-V86 PolarHBondContact O-N 2.95Å; F83-V87 HydrophobicContact CD1-CG2 3.47Å; F83-V87 VanDerWaalsContact CD1-CG2 3.47Å; F83-V87 HydrophobicContact CE1-CG2 3.2Å; F83-V87 HydrophobicContact CE2-CG2 4.47Å; F83-V87 HydrophobicContact CG-CG2 4.27Å; F83-V87 HydrophobicContact CZ-CG2 3.77Å; F83-V87 WeakPolarHBondContact O-CB 3.47Å; F83-V87 VanDerWaalsContact O-CG2 3.29Å; F83-V87 WeakPolarHBondContact O-CG2 3.31Å; F83-V87 PolarHBondContact O-N 3.33Å
84G39.5Very low41.9Very low36 Ų3683.4 Ų83.437%0.37142%0.422SS..Hα-helixtrans-59.1-37.8176.300000113S80 C81 F88S80-G84 PolarHBondContact O-N 3.25Å; C81-G84 PolarHBondContact O-N 3Å; C81-G84 VanDerWaalsContact O-N 3.15Å; G84-F88 WeakPolarHBondContact O-CB 3.19Å; G84-F88 PolarHBondContact O-N 2.86Å
85E42.8Very low42.4Very low75 Ų7581.6 Ų81.635%0.3542%0.415SS..Hα-helixtrans-71.5-38.7175.8-69.6179.4169.400112.2C81 F83 F88 M89C81-E85 PolarHBondContact O-N 3.31Å; F83-E85 VanDerWaalsContact C-N 3.29Å; F83-E85 PolarHBondContact O-N 2.86Å; E85-F88 WeakPolarHBondContact O-CB 3.32Å; E85-F88 PolarHBondContact O-N 3.12Å; E85-M89 VanDerWaalsContact O-CG 3.28Å; E85-M89 WeakPolarHBondContact O-CG 3.49Å; E85-M89 PolarHBondContact O-N 2.96Å
86V45.6Very low42.8Very low18 Ų1882 Ų8211%0.10941%0.414CS..Hα-helixtrans-66.3-43.5174.6177.90000111.2I18 L22 E82 F83 F88 M89 F90I18-V86 HydrophobicContact CB-CG2 4.06Å; I18-V86 HydrophobicContact CD1-CG2 3.43Å; I18-V86 VanDerWaalsContact CD1-CG2 3.43Å; I18-V86 HydrophobicContact CG1-CG2 4.27Å; I18-V86 HydrophobicContact CG2-CB 4.41Å; I18-V86 HydrophobicContact CG2-CG1 4.07Å; I18-V86 HydrophobicContact CG2-CG2 3.46Å; I18-V86 VanDerWaalsContact CG2-CG2 3.46Å; L22-V86 HydrophobicContact CD1-CG1 4.22Å; E82-V86 VanDerWaalsContact O-CG2 3.24Å; E82-V86 WeakPolarHBondContact O-CG2 3.03Å; E82-V86 PolarHBondContact O-N 3.27Å; F83-V86 PolarHBondContact O-N 2.95Å; V86-F88 VanDerWaalsContact C-N 3.31Å; V86-M89 HydrophobicContact CB-CE 4.4Å; V86-M89 HydrophobicContact CG2-CE 4.14Å; V86-M89 PolarHBondContact O-N 3.43Å; V86-F90 WeakPolarHBondContact O-CB 3.41Å; V86-F90 PolarHBondContact O-N 3.15Å
87V45Very low43.3Very low48 Ų4873.6 Ų73.629%0.29138%0.383SS..Hα-helixtrans-65.7-36.2172.51730000110.8F83 F90 I91F83-V87 HydrophobicContact CD1-CG2 3.47Å; F83-V87 VanDerWaalsContact CD1-CG2 3.47Å; F83-V87 HydrophobicContact CE1-CG2 3.2Å; F83-V87 HydrophobicContact CE2-CG2 4.47Å; F83-V87 HydrophobicContact CG-CG2 4.27Å; F83-V87 HydrophobicContact CZ-CG2 3.77Å; F83-V87 WeakPolarHBondContact O-CB 3.47Å; F83-V87 VanDerWaalsContact O-CG2 3.29Å; F83-V87 WeakPolarHBondContact O-CG2 3.31Å; F83-V87 PolarHBondContact O-N 3.33Å; V87-F90 CarbonylContact O-C 3.55Å; V87-F90 WeakPolarHBondContact O-CA 3.34Å; V87-F90 VanDerWaalsContact O-CB 3.3Å; V87-F90 WeakPolarHBondContact O-CB 3.33Å; V87-F90 PolarHBondContact O-N 2.84Å; V87-I91 HydrophobicContact CG1-CD1 3.74Å; V87-I91 HydrophobicContact CG1-CG1 4.18Å; V87-I91 WeakPolarHBondContact O-CB 3.48Å; V87-I91 VanDerWaalsContact O-CG1 3.28Å; V87-I91 WeakPolarHBondContact O-CG1 3.23Å; V87-I91 PolarHBondContact O-N 3.46Å
88F48.9Very low43.4Very low110 Ų11074.9 Ų74.948%0.48238%0.376SS..Hα-helixtrans-64.7-42.4174.5-178.6-100.1000111G84 E85 V86 F90 I91 V92G84-F88 WeakPolarHBondContact O-CB 3.19Å; G84-F88 PolarHBondContact O-N 2.86Å; E85-F88 WeakPolarHBondContact O-CB 3.32Å; E85-F88 PolarHBondContact O-N 3.12Å; V86-F88 VanDerWaalsContact C-N 3.31Å; F88-F90 VanDerWaalsContact C-N 3.29Å; F88-F90 PolarHBondContact O-N 3.26Å; F88-I91 PolarHBondContact O-N 3.16Å; F88-V92 HydrophobicContact CD1-CG2 4.01Å; F88-V92 HydrophobicContact CD2-CG2 4.24Å; F88-V92 HydrophobicContact CE1-CG2 3.65Å; F88-V92 HydrophobicContact CE2-CG2 3.9Å; F88-V92 HydrophobicContact CG-CG2 4.3Å; F88-V92 HydrophobicContact CZ-CG2 3.59Å; F88-V92 VanDerWaalsContact O-CB 3.26Å; F88-V92 WeakPolarHBondContact O-CB 3.34Å; F88-V92 VanDerWaalsContact O-CG2 3.22Å; F88-V92 WeakPolarHBondContact O-CG2 3.46Å; F88-V92 PolarHBondContact O-N 3.26Å
89M50.9Low43.5Very low34 Ų3472.8 Ų72.817%0.16736%0.363CS..Hα-helixtrans-63.9-35.2171.9-68.1-175.1-62.500112.3S15 F52 E85 V86 G93S15-M89 VanDerWaalsContact CB-SD 3.58Å; S15-M89 PolarHBondContact OG-SD 2.88Å; F52-M89 HydrophobicContact CZ-CG 4.21Å; E85-M89 VanDerWaalsContact O-CG 3.28Å; E85-M89 WeakPolarHBondContact O-CG 3.49Å; E85-M89 PolarHBondContact O-N 2.96Å; V86-M89 HydrophobicContact CB-CE 4.4Å; V86-M89 HydrophobicContact CG2-CE 4.14Å; V86-M89 PolarHBondContact O-N 3.43Å; M89-G93 WeakPolarHBondContact O-CA 3.38Å; M89-G93 PolarHBondContact O-N 2.93Å
90F50Low43.6Very low103 Ų10370.8 Ų70.845%0.45236%0.359SS..Hα-helixtrans-63.5-50.3172.8-173.9-88.8000111.5V86 V87 F88 G93 E94V86-F90 WeakPolarHBondContact O-CB 3.41Å; V86-F90 PolarHBondContact O-N 3.15Å; V87-F90 CarbonylContact O-C 3.55Å; V87-F90 WeakPolarHBondContact O-CA 3.34Å; V87-F90 VanDerWaalsContact O-CB 3.3Å; V87-F90 WeakPolarHBondContact O-CB 3.33Å; V87-F90 PolarHBondContact O-N 2.84Å; F88-F90 VanDerWaalsContact C-N 3.29Å; F88-F90 PolarHBondContact O-N 3.26Å; F90-G93 PolarHBondContact O-N 3.4Å; F90-E94 VanDerWaalsContact O-CB 3.26Å; F90-E94 WeakPolarHBondContact O-CB 3.43Å; F90-E94 PolarHBondContact O-N 2.93Å
91I46.8Very low43.4Very low85 Ų8577.5 Ų77.544%0.43638%0.376SS..Hα-helixtrans-66.2-45.3179.3-68.9169.1000110.9V87 F88 E94 K95V87-I91 HydrophobicContact CG1-CD1 3.74Å; V87-I91 HydrophobicContact CG1-CG1 4.18Å; V87-I91 WeakPolarHBondContact O-CB 3.48Å; V87-I91 VanDerWaalsContact O-CG1 3.28Å; V87-I91 WeakPolarHBondContact O-CG1 3.23Å; V87-I91 PolarHBondContact O-N 3.46Å; F88-I91 PolarHBondContact O-N 3.16Å; I91-E94 PolarHBondContact O-N 3.09Å; I91-K95 HydrophobicContact CG2-CG 4.23Å; I91-K95 VanDerWaalsContact O-CB 3.25Å; I91-K95 WeakPolarHBondContact O-CB 3.46Å; I91-K95 WeakPolarHBondContact O-CG 3.35Å; I91-K95 PolarHBondContact O-N 2.97Å
92V51.1Low43.4Very low10 Ų1085.7 Ų85.76%0.06141%0.405CS..Hα-helixtrans-65-45.4178.1169.90000109.9Y51 F88 K95 L96Y51-V92 HydrophobicContact CD1-CG1 3.8Å; Y51-V92 HydrophobicContact CE1-CG1 3.39Å; F88-V92 HydrophobicContact CD1-CG2 4.01Å; F88-V92 HydrophobicContact CD2-CG2 4.24Å; F88-V92 HydrophobicContact CE1-CG2 3.65Å; F88-V92 HydrophobicContact CE2-CG2 3.9Å; F88-V92 HydrophobicContact CG-CG2 4.3Å; F88-V92 HydrophobicContact CZ-CG2 3.59Å; F88-V92 VanDerWaalsContact O-CB 3.26Å; F88-V92 WeakPolarHBondContact O-CB 3.34Å; F88-V92 VanDerWaalsContact O-CG2 3.22Å; F88-V92 WeakPolarHBondContact O-CG2 3.46Å; F88-V92 PolarHBondContact O-N 3.26Å; V92-K95 PolarHBondContact O-N 3.47Å; V92-L96 HydrophobicContact CG1-CD1 3.94Å; V92-L96 HydrophobicContact CG1-CG 4.43Å; V92-L96 WeakPolarHBondContact O-CB 3.18Å; V92-L96 WeakPolarHBondContact O-CG 3.35Å; V92-L96 PolarHBondContact O-N 2.84Å
93G52.1Low43.6Very low2 Ų282.5 Ų82.52%0.02139%0.39CS..Hα-helixtrans-57-50.1173.900000111.7M89 F90 L96 F97M89-G93 WeakPolarHBondContact O-CA 3.38Å; M89-G93 PolarHBondContact O-N 2.93Å; F90-G93 PolarHBondContact O-N 3.4Å; G93-L96 PolarHBondContact O-N 2.67Å; G93-F97 WeakPolarHBondContact O-CD2 3.34Å; G93-F97 PolarHBondContact O-N 3.01Å
94E49.7Very low43.9Very low92 Ų9282.9 Ų82.943%0.4339%0.394SS..Hα-helixtrans-64.3-42179.4-165.6-171.7157.900112.6F90 I91 L96 F97 Q98F90-E94 VanDerWaalsContact O-CB 3.26Å; F90-E94 WeakPolarHBondContact O-CB 3.43Å; F90-E94 PolarHBondContact O-N 2.93Å; I91-E94 PolarHBondContact O-N 3.09Å; E94-L96 VanDerWaalsContact C-N 3.34Å; E94-L96 PolarHBondContact O-N 3.3Å; E94-F97 CarbonylContact O-C 3.6Å; E94-F97 WeakPolarHBondContact O-CB 3.29Å; E94-F97 PolarHBondContact O-N 3.48Å; E94-F97 VanDerWaalsContact O-N 3.14Å; E94-Q98 WeakPolarHBondContact O-CG 3.38Å; E94-Q98 PolarHBondContact O-N 3.01Å
95K43.3Very low44.2Very low116 Ų11685.5 Ų85.550%0.50440%0.395SS..Hα-helixtrans-64.6-37.9175.8-75-73.9168.5-161.40112.1I91 V92 F97 Q98 L99I91-K95 HydrophobicContact CG2-CG 4.23Å; I91-K95 VanDerWaalsContact O-CB 3.25Å; I91-K95 WeakPolarHBondContact O-CB 3.46Å; I91-K95 WeakPolarHBondContact O-CG 3.35Å; I91-K95 PolarHBondContact O-N 2.97Å; V92-K95 PolarHBondContact O-N 3.47Å; K95-F97 VanDerWaalsContact C-N 3.33Å; K95-Q98 PolarHBondContact O-N 3.29Å; K95-L99 WeakPolarHBondContact O-CG 3.47Å; K95-L99 PolarHBondContact O-N 3.13Å; K95-L99 VanDerWaalsContact O-N 3.09Å
96L43.7Very low44.3Very low39 Ų3986.1 Ų86.120%0.20440%0.398CS..Hα-helixtrans-64.1-38.9171.5-71.2170.7000111.4I48 Y51 V92 G93 E94 L99 E100I48-L96 HydrophobicContact CG1-CD1 4.33Å; Y51-L96 HydrophobicContact CD1-CD1 4.06Å; Y51-L96 HydrophobicContact CD2-CD2 3.76Å; Y51-L96 HydrophobicContact CE2-CD2 4.1Å; Y51-L96 HydrophobicContact CG-CD1 4.01Å; Y51-L96 HydrophobicContact CG-CD2 4.04Å; V92-L96 HydrophobicContact CG1-CD1 3.94Å; V92-L96 HydrophobicContact CG1-CG 4.43Å; V92-L96 WeakPolarHBondContact O-CB 3.18Å; V92-L96 WeakPolarHBondContact O-CG 3.35Å; V92-L96 PolarHBondContact O-N 2.84Å; G93-L96 PolarHBondContact O-N 2.67Å; E94-L96 VanDerWaalsContact C-N 3.34Å; E94-L96 PolarHBondContact O-N 3.3Å; L96-L99 PolarHBondContact O-N 3.02Å; L96-E100 PolarHBondContact O-N 3.23Å
97F43.3Very low44.2Very low64 Ų6490.4 Ų90.428%0.28142%0.416SS..Hα-helixtrans-65-39.2173.6-90.2-73.1000113.1K40 G93 E94 K95 L99 E100 Y101K40-F97 HydrophobicContact CB-CE1 4.38Å; K40-F97 HydrophobicContact CB-CE2 4.05Å; K40-F97 HydrophobicContact CB-CZ 3.56Å; K40-F97 HydrophobicContact CD-CE1 4.26Å; K40-F97 HydrophobicContact CD-CZ 4.1Å; K40-F97 HydrophobicContact CG-CE1 4.37Å; K40-F97 HydrophobicContact CG-CZ 4.03Å; G93-F97 WeakPolarHBondContact O-CD2 3.34Å; G93-F97 PolarHBondContact O-N 3.01Å; E94-F97 CarbonylContact O-C 3.6Å; E94-F97 WeakPolarHBondContact O-CB 3.29Å; E94-F97 PolarHBondContact O-N 3.48Å; E94-F97 VanDerWaalsContact O-N 3.14Å; K95-F97 VanDerWaalsContact C-N 3.33Å; F97-L99 VanDerWaalsContact C-N 3.3Å; F97-L99 PolarHBondContact O-N 3.13Å; F97-E100 PolarHBondContact O-N 2.93Å; F97-Y101 PolarHBondContact O-N 3.46Å
98Q39.5Very low44.1Very low77 Ų7793.2 Ų93.236%0.3642%0.424SS..Hα-helixtrans-61.3-40.6174-71.8175.40.700110.8E94 K95 E100 Y101 F102E94-Q98 WeakPolarHBondContact O-CG 3.38Å; E94-Q98 PolarHBondContact O-N 3.01Å; K95-Q98 PolarHBondContact O-N 3.29Å; Q98-E100 VanDerWaalsContact C-N 3.33Å; Q98-E100 PolarHBondContact O-N 2.93Å; Q98-Y101 PolarHBondContact O-N 2.58Å; Q98-F102 VanDerWaalsContact O-CD2 3.3Å; Q98-F102 WeakPolarHBondContact O-CD2 3.38Å; Q98-F102 PolarHBondContact O-N 3.03Å
99L37.4Very low43.8Very low127 Ų12792 Ų9267%0.66542%0.42SS*.Hα-helixtrans-69.6-22.7178.8-72.2170.2000114.6K95 L96 F97K95-L99 WeakPolarHBondContact O-CG 3.47Å; K95-L99 PolarHBondContact O-N 3.13Å; K95-L99 VanDerWaalsContact O-N 3.09Å; L96-L99 PolarHBondContact O-N 3.02Å; F97-L99 VanDerWaalsContact C-N 3.3Å; F97-L99 PolarHBondContact O-N 3.13Å
100E36.4Very low43.2Very low101 Ų10196.5 Ų96.547%0.47244%0.439SS..Hα-helixtrans-88.8-16.1172.9-68.7-16616400113.3K47 L96 F97 Q98K47-E100 WeakPolarHBondContact CD-OE1 3.44Å; K47-E100 WeakPolarHBondContact CE-OE1 3.43Å; K47-E100 IonicContact NZ-OE1 2.62Å; K47-E100 PolarHBondContact NZ-OE1 2.83Å; K47-E100 IonicContact NZ-OE2 3.43Å; K47-E100 PolarHBondContact NZ-OE2 3.25Å; L96-E100 PolarHBondContact O-N 3.23Å; F97-E100 PolarHBondContact O-N 2.93Å; Q98-E100 VanDerWaalsContact C-N 3.33Å; Q98-E100 PolarHBondContact O-N 2.93Å
101Y34Very low42.6Very low208 Ų20895.9 Ų95.982%0.81644%0.438SS*.Hα-helixtrans-85.5-14.5176-161.8-99000112.7F97 Q98F97-Y101 PolarHBondContact O-N 3.46Å; Q98-Y101 PolarHBondContact O-N 2.58Å
102F34.5Very low42.3Very low230 Ų23096.9 Ų96.9100%1.00944%0.438SS*.  trans-101.40169.2-76.4-75.1000110.9Q98Q98-F102 VanDerWaalsContact O-CD2 3.3Å; Q98-F102 WeakPolarHBondContact O-CD2 3.38Å; Q98-F102 PolarHBondContact O-N 3.03Å

Retrieved 102 of 102 residues in 94.4 ms (Link to these results)

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