A0A077ZGL0_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZGL0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 200 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
1M35Very low48.2Very low242 Ų242126.7 Ų126.7100%1.19271%0.713SS**  0125.10-82.1170.1-176.800108.9
2R31.8Very low50.8Low243 Ų243120.8 Ų120.892%0.91768%0.678SS**  trans-87.4113170.7-138.7176.9-169.8157.30.9105.3E4R2-E4 PolarHBondContact O-N 3.04Å; R2-E4 VanDerWaalsContact O-N 3.13Å
3L33.1Very low52.9Low164 Ų164113.9 Ų113.986%0.85964%0.642SS**  trans-67.1107.7173.3-88.8135.9000107.6T5L3-T5 PolarHBondContact O-N 2.83Å
4E46.5Very low54.6Low175 Ų175107.6 Ų107.682%0.81861%0.61SS**  trans-68.6114.9163.8-68-169.5156.900107R2 F6R2-E4 PolarHBondContact O-N 3.04Å; R2-E4 VanDerWaalsContact O-N 3.13Å; E4-F6 PolarHBondContact O-N 3.28Å; E4-F6 VanDerWaalsContact O-N 3.1Å
5T39.4Very low56.2Low132 Ų132101.6 Ų101.681%0.8158%0.575SS**  trans-67.1106.3171.845.80000108.1L3L3-T5 PolarHBondContact O-N 2.83Å
6F50.9Low57.5Low78 Ų7896.2 Ų96.234%0.34254%0.543SS..  trans-86.9127.6176.7-153.5-97.6000109.5E4 G8 D12 A14 F15E4-F6 PolarHBondContact O-N 3.28Å; E4-F6 VanDerWaalsContact O-N 3.1Å; F6-G8 VanDerWaalsContact CD1-N 3.34Å; F6-G8 WeakPolarHBondContact CD1-O 3.35Å; F6-D12 HydrophobicContact CE1-CB 3.98Å; F6-D12 WeakPolarHBondContact CE1-OD2 3.41Å; F6-D12 HydrophobicContact CZ-CB 4.43Å; F6-D12 VanDerWaalsContact CZ-CG 3.5Å; F6-D12 WeakPolarHBondContact CZ-OD2 3.14Å; F6-A14 HydrophobicContact CE1-CB 4.49Å; F6-A14 HydrophobicContact CE2-CB 3.51Å; F6-A14 HydrophobicContact CZ-CB 3.39Å; F6-F15 HydrophobicContact CD1-CB 3.76Å; F6-F15 HydrophobicContact CD1-CD2 4.13Å; F6-F15 HydrophobicContact CD1-CG 4.45Å; F6-F15 HydrophobicContact CE1-CB 3.52Å; F6-F15 HydrophobicContact CZ-CB 4.41Å
7T52.6Low58.8Low148 Ų14893.8 Ų93.891%0.90853%0.526SS*.  trans-101.86.1-179.355.50000113.1
8G51.3Low59.9Low17 Ų1792.7 Ų92.718%0.17552%0.515CS..  trans-99.1133.9178.600000111.8F6F6-G8 VanDerWaalsContact CD1-N 3.34Å; F6-G8 WeakPolarHBondContact CD1-O 3.35Å
9G58Low60.5Low51 Ų5188.8 Ų88.853%0.52650%0.495SS..  trans-85.2-171.9175.200000113G11 D12G9-G11 PolarHBondContact O-N 3.27Å; G9-D12 WeakPolarHBondContact O-CB 3.39Å; G9-D12 PolarHBondContact O-N 3.02Å
10A60.8Low61.2Low94 Ų9486.9 Ų86.978%0.77748%0.481SS*.THydrogen-bonded Turntrans-49.1128.6174.100000111.7
11G71.3Confident61.9Low50 Ų5084.7 Ų84.752%0.51547%0.47SS..THydrogen-bonded Turntrans100.7-10.6-174.800000115G9 P13G9-G11 PolarHBondContact O-N 3.27Å; G11-P13 WeakPolarHBondContact O-CD 3.31Å
12D79.4Confident63.8Low56 Ų5677 Ų7730%0.29943%0.431SS..  trans-76.3119.1165.9-171.6-30.2000109.9F6 G9 A14 F15 E16F6-D12 HydrophobicContact CE1-CB 3.98Å; F6-D12 WeakPolarHBondContact CE1-OD2 3.41Å; F6-D12 HydrophobicContact CZ-CB 4.43Å; F6-D12 VanDerWaalsContact CZ-CG 3.5Å; F6-D12 WeakPolarHBondContact CZ-OD2 3.14Å; G9-D12 WeakPolarHBondContact O-CB 3.39Å; G9-D12 PolarHBondContact O-N 3.02Å; D12-A14 PolarHBondContact O-N 3.14Å; D12-A14 VanDerWaalsContact O-N 3.15Å; D12-A14 PolarHBondContact OD1-N 2.95Å; D12-F15 HydrophobicContact CB-CB 4Å; D12-F15 WeakPolarHBondContact O-CB 3.5Å; D12-F15 PolarHBondContact O-N 2.83Å; D12-F15 VanDerWaalsContact O-N 3.1Å; D12-E16 WeakPolarHBondContact O-CG 3.25Å; D12-E16 PolarHBondContact O-N 2.99Å
13P77.3Confident65.8Low31 Ų3166.1 Ų66.120%0.20139%0.391CS..Hα-helixtrans-56.7-32179.9-2433.8000114G11 E16 K17 R40 W41G11-P13 WeakPolarHBondContact O-CD 3.31Å; P13-E16 PolarHBondContact O-N 3.14Å; P13-K17 WeakPolarHBondContact O-CB 3.01Å; P13-K17 PolarHBondContact O-N 3.17Å; P13-R40 HydrophobicContact CB-CB 4.14Å; P13-R40 HydrophobicContact CG-CB 4.09Å; P13-W41 HydrophobicContact CB-CB 3.63Å; P13-W41 HydrophobicContact CB-CG 4.4Å; P13-W41 WeakPolarHBondContact O-CB 3.2Å
14A76.8Confident67.6Low25 Ų2564 Ų6421%0.20737%0.372CS..Hα-helixtrans-75.2-32.8179.500000112.6F6 D12 H18F6-A14 HydrophobicContact CE1-CB 4.49Å; F6-A14 HydrophobicContact CE2-CB 3.51Å; F6-A14 HydrophobicContact CZ-CB 3.39Å; D12-A14 PolarHBondContact O-N 3.14Å; D12-A14 VanDerWaalsContact O-N 3.15Å; D12-A14 PolarHBondContact OD1-N 2.95Å; A14-H18 PolarHBondContact O-N 2.91Å
15F79.3Confident68.6Low18 Ų1857.2 Ų57.28%0.07935%0.346CS..Hα-helixtrans-61.1-48.5167.2176.3-103.9000110.6F6 D12 K17 H18 C19 E155F6-F15 HydrophobicContact CD1-CB 3.76Å; F6-F15 HydrophobicContact CD1-CD2 4.13Å; F6-F15 HydrophobicContact CD1-CG 4.45Å; F6-F15 HydrophobicContact CE1-CB 3.52Å; F6-F15 HydrophobicContact CZ-CB 4.41Å; D12-F15 HydrophobicContact CB-CB 4Å; D12-F15 WeakPolarHBondContact O-CB 3.5Å; D12-F15 PolarHBondContact O-N 2.83Å; D12-F15 VanDerWaalsContact O-N 3.1Å; F15-K17 VanDerWaalsContact C-N 3.3Å; F15-K17 PolarHBondContact O-N 3.33Å; F15-H18 WeakPolarHBondContact O-CA 3.41Å; F15-H18 WeakPolarHBondContact O-CB 3.5Å; F15-H18 PolarHBondContact O-N 3.23Å; F15-C19 WeakPolarHBondContact CE1-SG 3.42Å; F15-C19 WeakPolarHBondContact CZ-SG 3.46Å; F15-C19 PolarHBondContact O-N 3.08Å; F15-C19 PolarHBondContact O-SG 3.13Å; F15-E155 HydrophobicContact CE2-CG 3.39Å; F15-E155 HydrophobicContact CZ-CG 3.6Å
16E77.3Confident70Confident15 Ų1551.6 Ų51.67%0.0731%0.312CS..Hα-helixtrans-62.8-37.5-178.5-65.1170.2138.800111.6D12 P13 C19 F20 G37 T38 R40D12-E16 WeakPolarHBondContact O-CG 3.25Å; D12-E16 PolarHBondContact O-N 2.99Å; P13-E16 PolarHBondContact O-N 3.14Å; E16-C19 PolarHBondContact O-N 2.71Å; E16-F20 WeakPolarHBondContact O-CB 3.27Å; E16-F20 PolarHBondContact O-N 3.3Å; E16-G37 WeakPolarHBondContact OE2-CA 3.41Å; E16-T38 PolarHBondContact O-OG1 2.96Å; E16-R40 IonicContact OE1-NH2 2.83Å; E16-R40 PolarHBondContact OE1-NH2 3.13Å; E16-R40 IonicContact OE2-CZ 3.8Å; E16-R40 IonicContact OE2-NE 2.85Å; E16-R40 IonicContact OE2-NH2 3.67Å; E16-R40 PolarHBondContact OE2-NH2 2.97Å
17K78.6Confident71Confident55 Ų5554.3 Ų54.324%0.23933%0.33CS..Hα-helixtrans-63.5-40.1171.1-175.2-116.8-179.5178.80112.1P13 F15 F20 V21 T38 W41P13-K17 WeakPolarHBondContact O-CB 3.01Å; P13-K17 PolarHBondContact O-N 3.17Å; F15-K17 VanDerWaalsContact C-N 3.3Å; F15-K17 PolarHBondContact O-N 3.33Å; K17-F20 PolarHBondContact O-N 3.43Å; K17-V21 WeakPolarHBondContact O-CG2 3.26Å; K17-V21 PolarHBondContact O-N 2.96Å; K17-V21 VanDerWaalsContact O-N 3.12Å; K17-T38 HydrophobicContact CB-CG2 4.48Å; K17-T38 HydrophobicContact CG-CG2 4.35Å; K17-W41 HydrophobicContact CB-CB 4.23Å; K17-W41 HydrophobicContact CB-CD2 4.02Å; K17-W41 HydrophobicContact CB-CE3 4.39Å; K17-W41 HydrophobicContact CB-CG 3.94Å; K17-W41 HydrophobicContact CD-CD2 4.01Å; K17-W41 HydrophobicContact CD-CE3 4.1Å; K17-W41 HydrophobicContact CD-CH2 3.94Å; K17-W41 HydrophobicContact CD-CZ2 3.86Å; K17-W41 HydrophobicContact CD-CZ3 4.07Å; K17-W41 HydrophobicContact CG-CD2 3.85Å; K17-W41 HydrophobicContact CG-CE3 3.8Å; K17-W41 HydrophobicContact CG-CG 4.32Å; K17-W41 HydrophobicContact CG-CZ3 4.15Å
18H78.6Confident71.5Confident74 Ų7448.2 Ų48.234%0.34330%0.295SS..Hα-helixtrans-62.2-49.1174.3-178.274.9000111.2A14 F15 F20 V21 Q22A14-H18 PolarHBondContact O-N 2.91Å; F15-H18 WeakPolarHBondContact O-CA 3.41Å; F15-H18 WeakPolarHBondContact O-CB 3.5Å; F15-H18 PolarHBondContact O-N 3.23Å; H18-F20 VanDerWaalsContact C-N 3.3Å; H18-F20 PolarHBondContact O-N 3.47Å; H18-V21 PolarHBondContact O-N 3.45Å; H18-Q22 PolarHBondContact CE1-NE2 3.02Å; H18-Q22 PolarHBondContact NE2-NE2 3.38Å; H18-Q22 WeakPolarHBondContact O-CG 3.4Å; H18-Q22 PolarHBondContact O-N 3.19Å
19C72.1Confident72.6Confident19 Ų1958.1 Ų58.113%0.12833%0.327CS..Hα-helixtrans-57.8-41.9175.5-66.50000112.2F15 E16 V21 Q22 M23 I34F15-C19 WeakPolarHBondContact CE1-SG 3.42Å; F15-C19 WeakPolarHBondContact CZ-SG 3.46Å; F15-C19 PolarHBondContact O-N 3.08Å; F15-C19 PolarHBondContact O-SG 3.13Å; E16-C19 PolarHBondContact O-N 2.71Å; C19-V21 PolarHBondContact O-N 3.31Å; C19-Q22 PolarHBondContact O-N 3.46Å; C19-M23 WeakPolarHBondContact O-CB 3.49Å; C19-M23 VanDerWaalsContact O-CG 3.25Å; C19-M23 WeakPolarHBondContact O-CG 3.46Å; C19-M23 PolarHBondContact O-N 2.94Å; C19-I34 HydrophobicContact CB-CD1 3.76Å; C19-I34 HydrophobicContact CB-CG2 4.27Å
20F74.4Confident73.3Confident51 Ų5157.6 Ų57.622%0.22431%0.312CS..Hα-helixtrans-58.3-47.8176.2176.5-92.8000112.1E16 K17 H18 Q22 M23 R24 I30 I34 T38E16-F20 WeakPolarHBondContact O-CB 3.27Å; E16-F20 PolarHBondContact O-N 3.3Å; K17-F20 PolarHBondContact O-N 3.43Å; H18-F20 VanDerWaalsContact C-N 3.3Å; H18-F20 PolarHBondContact O-N 3.47Å; F20-Q22 VanDerWaalsContact C-N 3.32Å; F20-Q22 PolarHBondContact O-N 3.22Å; F20-M23 PolarHBondContact O-N 3.04Å; F20-R24 HydrophobicContact CD1-CG 4.12Å; F20-R24 HydrophobicContact CE1-CG 3.7Å; F20-R24 HydrophobicContact CE2-CG 4.12Å; F20-R24 HydrophobicContact CZ-CG 3.7Å; F20-R24 WeakPolarHBondContact O-CB 3.49Å; F20-R24 VanDerWaalsContact O-CG 3.31Å; F20-R24 WeakPolarHBondContact O-CG 3.5Å; F20-R24 PolarHBondContact O-N 2.87Å; F20-I30 HydrophobicContact CD2-CD1 3.91Å; F20-I30 HydrophobicContact CD2-CG2 3.99Å; F20-I30 HydrophobicContact CE2-CD1 3.59Å; F20-I30 HydrophobicContact CE2-CG2 4.39Å; F20-I30 HydrophobicContact CZ-CD1 4.35Å; F20-I34 HydrophobicContact CB-CG2 3.74Å; F20-I34 HydrophobicContact CD2-CG2 4.44Å; F20-T38 HydrophobicContact CB-CG2 4.35Å; F20-T38 WeakPolarHBondContact CB-OG1 3.35Å; F20-T38 HydrophobicContact CD1-CG2 4.21Å; F20-T38 HydrophobicContact CG-CG2 4.14Å
21V76Confident74.1Confident41 Ų4156.4 Ų56.425%0.24830%0.295CS..Hα-helixtrans-60.3-441781720000110.7K17 H18 C19 R24 A25 V137K17-V21 WeakPolarHBondContact O-CG2 3.26Å; K17-V21 PolarHBondContact O-N 2.96Å; K17-V21 VanDerWaalsContact O-N 3.12Å; H18-V21 PolarHBondContact O-N 3.45Å; C19-V21 PolarHBondContact O-N 3.31Å; V21-R24 PolarHBondContact O-N 2.94Å; V21-A25 WeakPolarHBondContact O-CB 3.15Å; V21-A25 PolarHBondContact O-N 2.88Å; V21-V137 HydrophobicContact CG1-CG2 4.05Å
22Q74.1Confident74.3Confident79 Ų7956.7 Ų56.737%0.36929%0.287SS..Hα-helixtrans-65.2-44.5178.2-62.9-70.725.200112H18 C19 F20 R24 A25 A26H18-Q22 PolarHBondContact CE1-NE2 3.02Å; H18-Q22 PolarHBondContact NE2-NE2 3.38Å; H18-Q22 WeakPolarHBondContact O-CG 3.4Å; H18-Q22 PolarHBondContact O-N 3.19Å; C19-Q22 PolarHBondContact O-N 3.46Å; F20-Q22 VanDerWaalsContact C-N 3.32Å; F20-Q22 PolarHBondContact O-N 3.22Å; Q22-R24 VanDerWaalsContact C-N 3.33Å; Q22-R24 PolarHBondContact O-N 3.24Å; Q22-A25 PolarHBondContact O-N 3.3Å; Q22-A26 WeakPolarHBondContact O-CB 3.34Å; Q22-A26 PolarHBondContact O-N 3.21Å
23M74.1Confident74.1Confident16 Ų1657 Ų578%0.07929%0.293CS..Hα-helixtrans-62.9-38.5177-71.7-179.9122.200111.9C19 F20 A26 N27 A28 R29 I30 I34 I152C19-M23 WeakPolarHBondContact O-CB 3.49Å; C19-M23 VanDerWaalsContact O-CG 3.25Å; C19-M23 WeakPolarHBondContact O-CG 3.46Å; C19-M23 PolarHBondContact O-N 2.94Å; F20-M23 PolarHBondContact O-N 3.04Å; M23-A26 CarbonylContact O-C 3.48Å; M23-A26 PolarHBondContact O-N 2.93Å; M23-N27 PolarHBondContact O-N 3.38Å; M23-N27 VanDerWaalsContact O-N 3.13Å; M23-A28 HydrophobicContact CB-CB 4.11Å; M23-A28 HydrophobicContact CG-CB 4.34Å; M23-A28 WeakPolarHBondContact O-CB 3.39Å; M23-A28 PolarHBondContact O-N 3.31Å; M23-R29 WeakPolarHBondContact CE-O 3.47Å; M23-I30 HydrophobicContact CB-CG1 4.08Å; M23-I30 HydrophobicContact SD-CB 4.49Å; M23-I30 HydrophobicContact SD-CG2 4.17Å; M23-I34 HydrophobicContact SD-CB 4.4Å; M23-I34 HydrophobicContact SD-CG1 4.14Å; M23-I34 HydrophobicContact SD-CG2 4.12Å; M23-I152 HydrophobicContact CE-CD1 3.91Å
24R70.1Confident74.1Confident120 Ų12056.5 Ų56.545%0.45329%0.288SS..Hα-helixtrans-66.3-49.3175.3-76-73.3-70.4167.7-5111.9F20 V21 Q22 A26 N27 I30 D134F20-R24 HydrophobicContact CD1-CG 4.12Å; F20-R24 HydrophobicContact CE1-CG 3.7Å; F20-R24 HydrophobicContact CE2-CG 4.12Å; F20-R24 HydrophobicContact CZ-CG 3.7Å; F20-R24 WeakPolarHBondContact O-CB 3.49Å; F20-R24 VanDerWaalsContact O-CG 3.31Å; F20-R24 WeakPolarHBondContact O-CG 3.5Å; F20-R24 PolarHBondContact O-N 2.87Å; V21-R24 PolarHBondContact O-N 2.94Å; Q22-R24 VanDerWaalsContact C-N 3.33Å; Q22-R24 PolarHBondContact O-N 3.24Å; R24-A26 PolarHBondContact O-N 3.16Å; R24-A26 VanDerWaalsContact O-N 3.14Å; R24-N27 PolarHBondContact O-N 3.31Å; R24-I30 VanDerWaalsContact CD-CD1 3.47Å; R24-I30 HydrophobicContact CG-CD1 3.71Å; R24-D134 IonicContact NH2-OD1 3.75Å; R24-D134 PolarHBondContact NH2-OD1 2.9Å; R24-D134 VanDerWaalsContact NH2-OD1 3.11Å
25A67.9Low74.1Confident32 Ų3257.5 Ų57.526%0.26429%0.29SS..Hα-helixtrans-56.7-29.6174.500000111.5V21 Q22 V137V21-A25 WeakPolarHBondContact O-CB 3.15Å; V21-A25 PolarHBondContact O-N 2.88Å; Q22-A25 PolarHBondContact O-N 3.3Å; A25-V137 HydrophobicContact CB-CG1 3.89Å
26A68.2Low74Confident13 Ų1358.1 Ų58.111%0.10729%0.293CS..THydrogen-bonded Turntrans-90.20.1-179.500000115.9Q22 M23 R24 A28 P143 I148Q22-A26 WeakPolarHBondContact O-CB 3.34Å; Q22-A26 PolarHBondContact O-N 3.21Å; M23-A26 CarbonylContact O-C 3.48Å; M23-A26 PolarHBondContact O-N 2.93Å; R24-A26 PolarHBondContact O-N 3.16Å; R24-A26 VanDerWaalsContact O-N 3.14Å; A26-A28 HydrophobicContact CB-CB 4.16Å; A26-A28 PolarHBondContact O-N 3.16Å; A26-P143 VanDerWaalsContact CA-CD 3.49Å; A26-P143 HydrophobicContact CB-CB 4.44Å; A26-P143 HydrophobicContact CB-CG 3.21Å; A26-P143 VanDerWaalsContact O-CD 3.25Å; A26-P143 WeakPolarHBondContact O-CD 3.44Å; A26-P143 WeakPolarHBondContact O-CG 3.49Å; A26-I148 HydrophobicContact CB-CD1 3.84Å; A26-I148 HydrophobicContact CB-CG1 4.03Å
27N73.4Confident74Confident135 Ų13557.4 Ų57.472%0.72229%0.29SS*.THydrogen-bonded Turntrans46.929.7-168.7-16241.3000113.2M23 R24M23-N27 PolarHBondContact O-N 3.38Å; M23-N27 VanDerWaalsContact O-N 3.13Å; R24-N27 PolarHBondContact O-N 3.31Å
28A63.4Low73.9Confident21 Ų2155.1 Ų55.117%0.17428%0.28CS..  trans-78.5153.8-177.100000110.4M23 A26 I30 I148M23-A28 HydrophobicContact CB-CB 4.11Å; M23-A28 HydrophobicContact CG-CB 4.34Å; M23-A28 WeakPolarHBondContact O-CB 3.39Å; M23-A28 PolarHBondContact O-N 3.31Å; A26-A28 HydrophobicContact CB-CB 4.16Å; A26-A28 PolarHBondContact O-N 3.16Å; A28-I30 PolarHBondContact O-N 3.29Å; A28-I30 VanDerWaalsContact O-N 3.09Å; A28-I148 HydrophobicContact CB-CD1 3.94Å; A28-I148 HydrophobicContact CB-CG2 3.93Å
29R73.3Confident73.8Confident225 Ų22552.5 Ų52.585%0.84927%0.271SS*.  trans-62.7115.7169.7-174.7178.3-178.8179.31.3109.4M23M23-R29 WeakPolarHBondContact CE-O 3.47Å
30I72.9Confident74.1Confident40 Ų4055.1 Ų55.121%0.20528%0.279CS..  trans-82.1124.8177-48.3179.6000108.4F20 M23 R24 A28 I34 I35F20-I30 HydrophobicContact CD2-CD1 3.91Å; F20-I30 HydrophobicContact CD2-CG2 3.99Å; F20-I30 HydrophobicContact CE2-CD1 3.59Å; F20-I30 HydrophobicContact CE2-CG2 4.39Å; F20-I30 HydrophobicContact CZ-CD1 4.35Å; M23-I30 HydrophobicContact CB-CG1 4.08Å; M23-I30 HydrophobicContact SD-CB 4.49Å; M23-I30 HydrophobicContact SD-CG2 4.17Å; R24-I30 VanDerWaalsContact CD-CD1 3.47Å; R24-I30 HydrophobicContact CG-CD1 3.71Å; A28-I30 PolarHBondContact O-N 3.29Å; A28-I30 VanDerWaalsContact O-N 3.09Å; I30-I34 HydrophobicContact CG2-CB 4.18Å; I30-I34 HydrophobicContact CG2-CG2 4.04Å; I30-I35 HydrophobicContact CB-CG1 4.42Å; I30-I35 HydrophobicContact CG2-CD1 4.15Å; I30-I35 HydrophobicContact CG2-CG1 3.55Å
31V76.4Confident74.4Confident68 Ų6855 Ų5541%0.41228%0.277SS..  trans-82.8147.2176.7-63.60000110.6S33 I34 I35V31-S33 WeakPolarHBondContact CG2-OG 3.5Å; V31-S33 PolarHBondContact O-N 3.21Å; V31-S33 VanDerWaalsContact O-N 3.13Å; V31-I34 HydrophobicContact CG2-CB 4.15Å; V31-I34 HydrophobicContact CG2-CG1 3.5Å; V31-I34 WeakPolarHBondContact O-CB 3.18Å; V31-I34 PolarHBondContact O-N 2.94Å; V31-I35 PolarHBondContact O-N 2.75Å
32V76.3Confident74.4Confident57 Ų5755 Ų5535%0.34527%0.273SS..Hα-helixtrans-54.4-36.6-175175.20000112.6I34 I35 Q36 F58V32-I34 VanDerWaalsContact C-N 3.32Å; V32-I34 PolarHBondContact O-N 3.26Å; V32-I35 PolarHBondContact O-N 3.19Å; V32-Q36 HydrophobicContact CG1-CG 4.18Å; V32-Q36 WeakPolarHBondContact O-CB 3.25Å; V32-Q36 WeakPolarHBondContact O-CG 3.19Å; V32-Q36 PolarHBondContact O-N 3.24Å; V32-F58 HydrophobicContact CG1-CB 4.43Å
33S76.3Confident74.5Confident61 Ų6151.8 Ų51.843%0.42726%0.261SS..Hα-helixtrans-60-39.1177.8510000112.9V31 Q36 G37V31-S33 WeakPolarHBondContact CG2-OG 3.5Å; V31-S33 PolarHBondContact O-N 3.21Å; V31-S33 VanDerWaalsContact O-N 3.13Å; S33-Q36 PolarHBondContact O-N 2.99Å; S33-G37 PolarHBondContact O-N 3.22Å
34I77.1Confident74.5Confident21 Ų2156.1 Ų56.111%0.10829%0.287CS..Hα-helixtrans-69.7-39.1177.5-64-63.4000110.9C19 F20 M23 I30 V31 V32 G37 T38C19-I34 HydrophobicContact CB-CD1 3.76Å; C19-I34 HydrophobicContact CB-CG2 4.27Å; F20-I34 HydrophobicContact CB-CG2 3.74Å; F20-I34 HydrophobicContact CD2-CG2 4.44Å; M23-I34 HydrophobicContact SD-CB 4.4Å; M23-I34 HydrophobicContact SD-CG1 4.14Å; M23-I34 HydrophobicContact SD-CG2 4.12Å; I30-I34 HydrophobicContact CG2-CB 4.18Å; I30-I34 HydrophobicContact CG2-CG2 4.04Å; V31-I34 HydrophobicContact CG2-CB 4.15Å; V31-I34 HydrophobicContact CG2-CG1 3.5Å; V31-I34 WeakPolarHBondContact O-CB 3.18Å; V31-I34 PolarHBondContact O-N 2.94Å; V32-I34 VanDerWaalsContact C-N 3.32Å; V32-I34 PolarHBondContact O-N 3.26Å; I34-G37 PolarHBondContact O-N 3.39Å; I34-T38 WeakPolarHBondContact O-CB 3.07Å; I34-T38 PolarHBondContact O-N 3.31Å; I34-T38 PolarHBondContact O-OG1 3.34Å
35I76.2Confident74.8Confident46 Ų4654.4 Ų54.424%0.23628%0.283CS..Hα-helixtrans-63.9-47.6174.7-55177.2000110.1I30 V31 V32 G37 T38 A39 F58I30-I35 HydrophobicContact CB-CG1 4.42Å; I30-I35 HydrophobicContact CG2-CD1 4.15Å; I30-I35 HydrophobicContact CG2-CG1 3.55Å; V31-I35 PolarHBondContact O-N 2.75Å; V32-I35 PolarHBondContact O-N 3.19Å; I35-G37 VanDerWaalsContact C-N 3.27Å; I35-G37 PolarHBondContact O-N 2.8Å; I35-T38 PolarHBondContact O-N 3.28Å; I35-A39 WeakPolarHBondContact O-CB 3.38Å; I35-A39 PolarHBondContact O-N 3.22Å; I35-F58 HydrophobicContact CB-CE1 4.4Å; I35-F58 HydrophobicContact CG2-CD1 3.7Å; I35-F58 HydrophobicContact CG2-CE1 3.31Å; I35-F58 HydrophobicContact CG2-CZ 4.14Å
36Q78Confident75.2Confident32 Ų3255.7 Ų55.715%0.1528%0.283CS..Hα-helixtrans-58-43.2176-75176-8.700111.4V32 S33 A39 R40 A53 F58V32-Q36 HydrophobicContact CG1-CG 4.18Å; V32-Q36 WeakPolarHBondContact O-CB 3.25Å; V32-Q36 WeakPolarHBondContact O-CG 3.19Å; V32-Q36 PolarHBondContact O-N 3.24Å; S33-Q36 PolarHBondContact O-N 2.99Å; Q36-A39 PolarHBondContact O-N 3.46Å; Q36-R40 WeakPolarHBondContact O-CG 3.25Å; Q36-R40 PolarHBondContact O-N 3.13Å; Q36-A53 HydrophobicContact CB-CB 4.08Å; Q36-A53 VanDerWaalsContact CD-O 3.29Å; Q36-A53 HydrophobicContact CG-CB 4.36Å; Q36-A53 WeakPolarHBondContact CG-O 3.35Å; Q36-A53 PolarHBondContact NE2-O 2.86Å; Q36-F58 HydrophobicContact CB-CE2 4.36Å; Q36-F58 HydrophobicContact CG-CD2 3.52Å; Q36-F58 HydrophobicContact CG-CE2 3.78Å; Q36-F58 HydrophobicContact CG-CG 4.17Å
37G76.4Confident75.7Confident0 Ų065.7 Ų65.70%032%0.318CS..Hα-helixtrans-62.4-46.4177.100000114.5E16 S33 I34 I35 A39 R40 W41E16-G37 WeakPolarHBondContact OE2-CA 3.41Å; S33-G37 PolarHBondContact O-N 3.22Å; I34-G37 PolarHBondContact O-N 3.39Å; I35-G37 VanDerWaalsContact C-N 3.27Å; I35-G37 PolarHBondContact O-N 2.8Å; G37-A39 VanDerWaalsContact C-N 3.28Å; G37-A39 PolarHBondContact O-N 2.99Å; G37-R40 WeakPolarHBondContact O-CB 3.47Å; G37-R40 PolarHBondContact O-N 3.03Å; G37-W41 PolarHBondContact O-N 3.49Å
38T75.8Confident75.8Confident7 Ų766.1 Ų66.14%0.04331%0.313CS..Hα-helixtrans-60.2-39.9173.9-560000111.3E16 K17 F20 I34 I35 W41 F42E16-T38 PolarHBondContact O-OG1 2.96Å; K17-T38 HydrophobicContact CB-CG2 4.48Å; K17-T38 HydrophobicContact CG-CG2 4.35Å; F20-T38 HydrophobicContact CB-CG2 4.35Å; F20-T38 WeakPolarHBondContact CB-OG1 3.35Å; F20-T38 HydrophobicContact CD1-CG2 4.21Å; F20-T38 HydrophobicContact CG-CG2 4.14Å; I34-T38 WeakPolarHBondContact O-CB 3.07Å; I34-T38 PolarHBondContact O-N 3.31Å; I34-T38 PolarHBondContact O-OG1 3.34Å; I35-T38 PolarHBondContact O-N 3.28Å; T38-W41 WeakPolarHBondContact O-CB 3.43Å; T38-W41 PolarHBondContact O-N 2.95Å; T38-F42 HydrophobicContact CG2-CD2 4.01Å; T38-F42 HydrophobicContact CG2-CE2 3.75Å; T38-F42 VanDerWaalsContact O-CD2 3.22Å; T38-F42 WeakPolarHBondContact O-CD2 3.41Å; T38-F42 PolarHBondContact O-N 3.33Å
39A76.6Confident76.3Confident19 Ų1971.8 Ų71.816%0.15735%0.346CS..Hα-helixtrans-69.4-37.2176.200000113I35 Q36 G37 W41 F42 A43 F51 F58I35-A39 WeakPolarHBondContact O-CB 3.38Å; I35-A39 PolarHBondContact O-N 3.22Å; Q36-A39 PolarHBondContact O-N 3.46Å; G37-A39 VanDerWaalsContact C-N 3.28Å; G37-A39 PolarHBondContact O-N 2.99Å; A39-W41 VanDerWaalsContact C-N 3.27Å; A39-W41 PolarHBondContact O-N 3.09Å; A39-F42 PolarHBondContact O-N 2.85Å; A39-A43 WeakPolarHBondContact O-CB 3.45Å; A39-A43 PolarHBondContact O-N 2.98Å; A39-F51 HydrophobicContact CB-CE1 3.71Å; A39-F51 HydrophobicContact CB-CZ 3.97Å; A39-F58 HydrophobicContact CB-CE1 4.49Å; A39-F58 HydrophobicContact CB-CE2 4.14Å; A39-F58 HydrophobicContact CB-CZ 3.48Å; A39-F58 VanDerWaalsContact CB-CZ 3.48Å
40R79.8Confident76.5Confident74 Ų7464.5 Ų64.528%0.27934%0.341SS..Hα-helixtrans-60.2-40.8169.4-73.2-174.3-66.4-98.33.9110.7P13 E16 Q36 G37 A43 V44 A53P13-R40 HydrophobicContact CB-CB 4.14Å; P13-R40 HydrophobicContact CG-CB 4.09Å; E16-R40 IonicContact OE1-NH2 2.83Å; E16-R40 PolarHBondContact OE1-NH2 3.13Å; E16-R40 IonicContact OE2-CZ 3.8Å; E16-R40 IonicContact OE2-NE 2.85Å; E16-R40 IonicContact OE2-NH2 3.67Å; E16-R40 PolarHBondContact OE2-NH2 2.97Å; Q36-R40 WeakPolarHBondContact O-CG 3.25Å; Q36-R40 PolarHBondContact O-N 3.13Å; G37-R40 WeakPolarHBondContact O-CB 3.47Å; G37-R40 PolarHBondContact O-N 3.03Å; R40-A43 WeakPolarHBondContact O-CB 3.27Å; R40-A43 PolarHBondContact O-N 3.42Å; R40-V44 WeakPolarHBondContact O-CG2 3.46Å; R40-V44 PolarHBondContact O-N 3.48Å; R40-A53 HydrophobicContact CG-CB 3.68Å
41W80.3Confident76.7Confident48 Ų4866.4 Ų66.418%0.18235%0.348CS..Hα-helixtrans-61.9-46177.9-178.183.5000111.6P13 K17 G37 T38 A39 A43 V44 K45P13-W41 HydrophobicContact CB-CB 3.63Å; P13-W41 HydrophobicContact CB-CG 4.4Å; P13-W41 WeakPolarHBondContact O-CB 3.2Å; K17-W41 HydrophobicContact CB-CB 4.23Å; K17-W41 HydrophobicContact CB-CD2 4.02Å; K17-W41 HydrophobicContact CB-CE3 4.39Å; K17-W41 HydrophobicContact CB-CG 3.94Å; K17-W41 HydrophobicContact CD-CD2 4.01Å; K17-W41 HydrophobicContact CD-CE3 4.1Å; K17-W41 HydrophobicContact CD-CH2 3.94Å; K17-W41 HydrophobicContact CD-CZ2 3.86Å; K17-W41 HydrophobicContact CD-CZ3 4.07Å; K17-W41 HydrophobicContact CG-CD2 3.85Å; K17-W41 HydrophobicContact CG-CE3 3.8Å; K17-W41 HydrophobicContact CG-CG 4.32Å; K17-W41 HydrophobicContact CG-CZ3 4.15Å; G37-W41 PolarHBondContact O-N 3.49Å; T38-W41 WeakPolarHBondContact O-CB 3.43Å; T38-W41 PolarHBondContact O-N 2.95Å; A39-W41 VanDerWaalsContact C-N 3.27Å; A39-W41 PolarHBondContact O-N 3.09Å; W41-A43 VanDerWaalsContact C-N 3.34Å; W41-A43 PolarHBondContact O-N 3.26Å; W41-V44 PolarHBondContact O-N 3.46Å; W41-K45 HydrophobicContact CH2-CD 3.53Å; W41-K45 HydrophobicContact CZ2-CD 4.22Å; W41-K45 HydrophobicContact CZ3-CD 3.76Å; W41-K45 PolarHBondContact O-N 3.4Å
42F75Confident76.4Confident41 Ų4169.6 Ų69.618%0.1836%0.362CS..Hα-helixtrans-61.4-41.7173.6-79.9-62.4000112.3T38 A39 V44 K45 F46 F130T38-F42 HydrophobicContact CG2-CD2 4.01Å; T38-F42 HydrophobicContact CG2-CE2 3.75Å; T38-F42 VanDerWaalsContact O-CD2 3.22Å; T38-F42 WeakPolarHBondContact O-CD2 3.41Å; T38-F42 PolarHBondContact O-N 3.33Å; A39-F42 PolarHBondContact O-N 2.85Å; F42-V44 VanDerWaalsContact C-N 3.27Å; F42-V44 PolarHBondContact O-N 2.87Å; F42-K45 PolarHBondContact O-N 3.4Å; F42-F46 HydrophobicContact CB-CD2 4.31Å; F42-F46 HydrophobicContact CB-CE2 4.48Å; F42-F46 HydrophobicContact CD1-CD2 4.18Å; F42-F46 AromaticContact CD1-CE2 3.54Å; F42-F46 HydrophobicContact CD1-CE2 3.54Å; F42-F46 HydrophobicContact CE1-CE2 4.21Å; F42-F46 HydrophobicContact CG-CE2 4.45Å; F42-F46 WeakPolarHBondContact O-CD2 3.49Å; F42-F46 PolarHBondContact O-N 2.78Å; F42-F130 HydrophobicContact CE2-CD2 4.47Å; F42-F130 HydrophobicContact CE2-CE2 4.47Å; F42-F130 AromaticContact CZ-CD2 3.89Å; F42-F130 HydrophobicContact CZ-CD2 3.89Å; F42-F130 HydrophobicContact CZ-CE2 4.28Å
43A77.6Confident76.1Confident12 Ų1267.4 Ų67.410%0.09935%0.35CS..Hα-helixtrans-59.8-39.5175.900000111.9A39 R40 W41 R47 K48 F51A39-A43 WeakPolarHBondContact O-CB 3.45Å; A39-A43 PolarHBondContact O-N 2.98Å; R40-A43 WeakPolarHBondContact O-CB 3.27Å; R40-A43 PolarHBondContact O-N 3.42Å; W41-A43 VanDerWaalsContact C-N 3.34Å; W41-A43 PolarHBondContact O-N 3.26Å; A43-R47 CarbonylContact O-C 3.48Å; A43-R47 PolarHBondContact O-N 3.26Å; A43-R47 VanDerWaalsContact O-N 3.1Å; A43-K48 HydrophobicContact CB-CB 4.14Å; A43-K48 PolarHBondContact O-N 3.21Å; A43-F51 HydrophobicContact CB-CB 3.63Å; A43-F51 HydrophobicContact CB-CD1 3.56Å; A43-F51 HydrophobicContact CB-CE1 4.46Å; A43-F51 HydrophobicContact CB-CG 3.79Å
44V74.6Confident76Confident106 Ų10666.7 Ų66.764%0.64235%0.345SS*.Hα-helixtrans-65.8-49.5172.3174.70000111R40 W41 F42 F46 R47R40-V44 WeakPolarHBondContact O-CG2 3.46Å; R40-V44 PolarHBondContact O-N 3.48Å; W41-V44 PolarHBondContact O-N 3.46Å; F42-V44 VanDerWaalsContact C-N 3.27Å; F42-V44 PolarHBondContact O-N 2.87Å; V44-F46 VanDerWaalsContact C-N 3.28Å; V44-F46 PolarHBondContact O-N 3.32Å; V44-R47 PolarHBondContact O-N 2.81Å; V44-R47 VanDerWaalsContact O-N 3.12Å
45K76.1Confident75.4Confident84 Ų8468.3 Ų68.337%0.36536%0.358SS..Hα-helixtrans-55.1-42.7179.7-176176.8174.4-167.20111.6W41 F42 D129W41-K45 HydrophobicContact CH2-CD 3.53Å; W41-K45 HydrophobicContact CZ2-CD 4.22Å; W41-K45 HydrophobicContact CZ3-CD 3.76Å; W41-K45 PolarHBondContact O-N 3.4Å; F42-K45 PolarHBondContact O-N 3.4Å; K45-D129 IonicContact NZ-OD2 3.71Å; K45-D129 PolarHBondContact NZ-OD2 2.81Å
46F75.3Confident74.9Confident60 Ų6071 Ų7126%0.26337%0.373SS..THydrogen-bonded Turntrans-96.212.7-178-63.1-62.2000114.7F42 V44 K48 D126F42-F46 HydrophobicContact CB-CD2 4.31Å; F42-F46 HydrophobicContact CB-CE2 4.48Å; F42-F46 HydrophobicContact CD1-CD2 4.18Å; F42-F46 AromaticContact CD1-CE2 3.54Å; F42-F46 HydrophobicContact CD1-CE2 3.54Å; F42-F46 HydrophobicContact CE1-CE2 4.21Å; F42-F46 HydrophobicContact CG-CE2 4.45Å; F42-F46 WeakPolarHBondContact O-CD2 3.49Å; F42-F46 PolarHBondContact O-N 2.78Å; V44-F46 VanDerWaalsContact C-N 3.28Å; V44-F46 PolarHBondContact O-N 3.32Å; F46-K48 HydrophobicContact CB-CG 4.18Å; F46-K48 PolarHBondContact O-N 2.85Å; F46-K48 VanDerWaalsContact O-N 3.11Å; F46-D126 HydrophobicContact CE1-CB 3.86Å; F46-D126 VanDerWaalsContact CE1-CG 3.47Å; F46-D126 WeakPolarHBondContact CE2-OD1 3.24Å; F46-D126 WeakPolarHBondContact CE2-OD2 3.33Å; F46-D126 HydrophobicContact CZ-CB 3.86Å; F46-D126 WeakPolarHBondContact CZ-OD1 3.43Å; F46-D126 VanDerWaalsContact CZ-OD2 3.24Å; F46-D126 WeakPolarHBondContact CZ-OD2 3.36Å
47R79.9Confident74.1Confident223 Ų22374 Ų7484%0.84239%0.387SS*.THydrogen-bonded Turntrans53.532.8178.2-52.5-178.1-177.4-171.21.1113.3A43 V44 T49A43-R47 CarbonylContact O-C 3.48Å; A43-R47 PolarHBondContact O-N 3.26Å; A43-R47 VanDerWaalsContact O-N 3.1Å; V44-R47 PolarHBondContact O-N 2.81Å; V44-R47 VanDerWaalsContact O-N 3.12Å; R47-T49 PolarHBondContact O-N 3.26Å; R47-T49 VanDerWaalsContact O-N 3.14Å
48K74.9Confident73.5Confident144 Ų14475 Ų7563%0.62639%0.392SS*.  trans-8090.9174.3-63.7-65.5-178.1179.30109.3A43 F46A43-K48 HydrophobicContact CB-CB 4.14Å; A43-K48 PolarHBondContact O-N 3.21Å; F46-K48 HydrophobicContact CB-CG 4.18Å; F46-K48 PolarHBondContact O-N 2.85Å; F46-K48 VanDerWaalsContact O-N 3.11Å
49T73.9Confident72.6Confident139 Ų13979.8 Ų79.885%0.85341%0.413SS*.THydrogen-bonded Turntrans-70.2144.6176.256.30000111.1R47 F51R47-T49 PolarHBondContact O-N 3.26Å; R47-T49 VanDerWaalsContact O-N 3.14Å; T49-F51 VanDerWaalsContact C-N 3.29Å; T49-F51 PolarHBondContact O-N 3.08Å
50G77.7Confident71.9Confident73 Ų7384.8 Ų84.875%0.75343%0.432SS*.THydrogen-bonded Turntrans76.57177.900000115.6L52G50-L52 PolarHBondContact O-N 3.34Å; G50-L52 VanDerWaalsContact O-N 3.1Å
51F76.3Confident70.9Confident80 Ų8087.6 Ų87.635%0.35144%0.443SS..  trans-67.4108.9171.7-177.6-104.6000110.3A39 A43 T49 A53A39-F51 HydrophobicContact CB-CE1 3.71Å; A39-F51 HydrophobicContact CB-CZ 3.97Å; A43-F51 HydrophobicContact CB-CB 3.63Å; A43-F51 HydrophobicContact CB-CD1 3.56Å; A43-F51 HydrophobicContact CB-CE1 4.46Å; A43-F51 HydrophobicContact CB-CG 3.79Å; T49-F51 VanDerWaalsContact C-N 3.29Å; T49-F51 PolarHBondContact O-N 3.08Å; F51-A53 HydrophobicContact CD1-CB 4.25Å; F51-A53 HydrophobicContact CE1-CB 3.66Å; F51-A53 HydrophobicContact CZ-CB 4.36Å
52L70.2Confident70Confident134 Ų13490.4 Ų90.470%0.70246%0.458SS*.  trans-99.198.8174.5-63.9174.7000107.4G50 S54 Q57G50-L52 PolarHBondContact O-N 3.34Å; G50-L52 VanDerWaalsContact O-N 3.1Å; L52-S54 PolarHBondContact O-N 3.1Å; L52-Q57 PolarHBondContact O-OE1 2.83Å; L52-Q57 VanDerWaalsContact O-OE1 3.06Å
53A70.8Confident69.2Low11 Ų1191.4 Ų91.49%0.09147%0.465CS..  trans-66.659.6174.200000111.3Q36 R40 F51 F58Q36-A53 HydrophobicContact CB-CB 4.08Å; Q36-A53 VanDerWaalsContact CD-O 3.29Å; Q36-A53 HydrophobicContact CG-CB 4.36Å; Q36-A53 WeakPolarHBondContact CG-O 3.35Å; Q36-A53 PolarHBondContact NE2-O 2.86Å; R40-A53 HydrophobicContact CG-CB 3.68Å; F51-A53 HydrophobicContact CD1-CB 4.25Å; F51-A53 HydrophobicContact CE1-CB 3.66Å; F51-A53 HydrophobicContact CZ-CB 4.36Å; A53-F58 HydrophobicContact CB-CE2 3.96Å
54S74.3Confident68.2Low46 Ų4695 Ų9532%0.32248%0.476SS..  trans-77.2151.7-175.165.80000111.2L52 N56 Q57 F58L52-S54 PolarHBondContact O-N 3.1Å; S54-N56 PolarHBondContact O-N 3.14Å; S54-Q57 PolarHBondContact O-N 3.46Å; S54-Q57 VanDerWaalsContact O-N 3.08Å; S54-Q57 PolarHBondContact OG-N 3.33Å; S54-F58 PolarHBondContact O-N 2.85Å
55S63.5Low67.3Low56 Ų5694.2 Ų94.239%0.39247%0.473SS..Hα-helixtrans-49.9-46.617348.70000111.2Q57 F58 E59S55-Q57 VanDerWaalsContact C-N 3.28Å; S55-Q57 PolarHBondContact O-N 3.26Å; S55-F58 CarbonylContact O-C 3.58Å; S55-F58 WeakPolarHBondContact O-CA 3.47Å; S55-F58 PolarHBondContact O-N 3.36Å; S55-E59 WeakPolarHBondContact O-CG 3.18Å; S55-E59 PolarHBondContact O-N 3.37Å
56N66.7Low66.5Low101 Ų10195.7 Ų95.754%0.5448%0.48SS..Hα-helixtrans-62.6-31.2-178.3-58.55.8000113.2S54 K60S54-N56 PolarHBondContact O-N 3.14Å; N56-K60 WeakPolarHBondContact O-CG 3.38Å; N56-K60 PolarHBondContact O-N 2.9Å
57Q61.1Low65.6Low97 Ų9793.1 Ų93.145%0.45347%0.469SS..Hα-helixtrans-73.2-36.8174-79.2-168.8-400111.8L52 S54 S55 K60 Y61L52-Q57 PolarHBondContact O-OE1 2.83Å; L52-Q57 VanDerWaalsContact O-OE1 3.06Å; S54-Q57 PolarHBondContact O-N 3.46Å; S54-Q57 VanDerWaalsContact O-N 3.08Å; S54-Q57 PolarHBondContact OG-N 3.33Å; S55-Q57 VanDerWaalsContact C-N 3.28Å; S55-Q57 PolarHBondContact O-N 3.26Å; Q57-K60 PolarHBondContact O-N 2.99Å; Q57-Y61 PolarHBondContact O-N 2.9Å
58F63.5Low64.4Low21 Ų2184.4 Ų84.49%0.09244%0.442CS..Hα-helixtrans-76.1-35.1178.4-84.7-79.1000113.3V32 I35 Q36 A39 A53 S54 S55 K60 Y61 E62V32-F58 HydrophobicContact CG1-CB 4.43Å; I35-F58 HydrophobicContact CB-CE1 4.4Å; I35-F58 HydrophobicContact CG2-CD1 3.7Å; I35-F58 HydrophobicContact CG2-CE1 3.31Å; I35-F58 HydrophobicContact CG2-CZ 4.14Å; Q36-F58 HydrophobicContact CB-CE2 4.36Å; Q36-F58 HydrophobicContact CG-CD2 3.52Å; Q36-F58 HydrophobicContact CG-CE2 3.78Å; Q36-F58 HydrophobicContact CG-CG 4.17Å; A39-F58 HydrophobicContact CB-CE1 4.49Å; A39-F58 HydrophobicContact CB-CE2 4.14Å; A39-F58 HydrophobicContact CB-CZ 3.48Å; A39-F58 VanDerWaalsContact CB-CZ 3.48Å; A53-F58 HydrophobicContact CB-CE2 3.96Å; S54-F58 PolarHBondContact O-N 2.85Å; S55-F58 CarbonylContact O-C 3.58Å; S55-F58 WeakPolarHBondContact O-CA 3.47Å; S55-F58 PolarHBondContact O-N 3.36Å; F58-K60 VanDerWaalsContact C-N 3.28Å; F58-K60 PolarHBondContact O-N 3.38Å; F58-Y61 CarbonylContact O-C 3.55Å; F58-Y61 WeakPolarHBondContact O-CA 3.25Å; F58-Y61 VanDerWaalsContact O-CB 3.32Å; F58-Y61 WeakPolarHBondContact O-CB 3.35Å; F58-Y61 PolarHBondContact O-N 2.89Å; F58-E62 WeakPolarHBondContact O-CG 3.39Å; F58-E62 PolarHBondContact O-N 3.36Å
59E57.5Low63.2Low107 Ų10780.6 Ų80.650%0.543%0.426SS..Hα-helixtrans-57.7-44.4169.2-73.8167.3-162.300110.5S55 Y61 E62 L63S55-E59 WeakPolarHBondContact O-CG 3.18Å; S55-E59 PolarHBondContact O-N 3.37Å; E59-Y61 VanDerWaalsContact C-N 3.25Å; E59-Y61 PolarHBondContact O-N 2.87Å; E59-E62 PolarHBondContact O-N 2.75Å; E59-L63 VanDerWaalsContact O-CG 3.26Å; E59-L63 WeakPolarHBondContact O-CG 3.32Å; E59-L63 PolarHBondContact O-N 3.48Å
60K61.7Low62.4Low124 Ų12475.3 Ų75.354%0.53939%0.392SS..Hα-helixtrans-62.7-32.3172-70.5179.3-176-171.40112.7N56 Q57 F58 R64N56-K60 WeakPolarHBondContact O-CG 3.38Å; N56-K60 PolarHBondContact O-N 2.9Å; Q57-K60 PolarHBondContact O-N 2.99Å; F58-K60 VanDerWaalsContact C-N 3.28Å; F58-K60 PolarHBondContact O-N 3.38Å; K60-R64 WeakPolarHBondContact O-CG 3.34Å
61Y58.5Low61.4Low133 Ų13375.1 Ų75.152%0.52237%0.373SS..Hα-helixtrans-71.9-42.2175.6-171.4-89.9000112.2Q57 F58 E59 L63 R64Q57-Y61 PolarHBondContact O-N 2.9Å; F58-Y61 CarbonylContact O-C 3.55Å; F58-Y61 WeakPolarHBondContact O-CA 3.25Å; F58-Y61 VanDerWaalsContact O-CB 3.32Å; F58-Y61 WeakPolarHBondContact O-CB 3.35Å; F58-Y61 PolarHBondContact O-N 2.89Å; E59-Y61 VanDerWaalsContact C-N 3.25Å; E59-Y61 PolarHBondContact O-N 2.87Å; Y61-L63 PolarHBondContact O-N 2.98Å; Y61-R64 VanDerWaalsContact CD2-CD 3.44Å; Y61-R64 HydrophobicContact CD2-CG 4.49Å; Y61-R64 WeakPolarHBondContact O-CB 3.23Å; Y61-R64 WeakPolarHBondContact O-CG 3.32Å; Y61-R64 PolarHBondContact O-N 3.4Å
62E60.4Low60Low106 Ų10676.5 Ų76.550%0.49538%0.383SS..Hα-helixtrans-65.6-29.3175.4-74.6-174.3173.600112.1F58 E59 R64 P65F58-E62 WeakPolarHBondContact O-CG 3.39Å; F58-E62 PolarHBondContact O-N 3.36Å; E59-E62 PolarHBondContact O-N 2.75Å; E62-R64 PolarHBondContact O-N 3.12Å; E62-P65 VanDerWaalsContact O-CD 3.23Å; E62-P65 WeakPolarHBondContact O-CD 3.39Å
63L58.3Low59.3Low63 Ų6372.9 Ų72.933%0.3337%0.369SS..Hα-helixtrans-72.1-14.3171.2-68.2173.1000112.7E59 Y61 K66 I67 I83E59-L63 VanDerWaalsContact O-CG 3.26Å; E59-L63 WeakPolarHBondContact O-CG 3.32Å; E59-L63 PolarHBondContact O-N 3.48Å; Y61-L63 PolarHBondContact O-N 2.98Å; L63-K66 HydrophobicContact CD2-CD 4.32Å; L63-K66 CarbonylContact O-C 3.45Å; L63-K66 WeakPolarHBondContact O-CB 3.4Å; L63-K66 PolarHBondContact O-N 3.41Å; L63-K66 VanDerWaalsContact O-N 3.12Å; L63-I67 HydrophobicContact CB-CD1 3.68Å; L63-I67 HydrophobicContact CB-CG1 4.22Å; L63-I67 WeakPolarHBondContact O-CB 3.44Å; L63-I67 VanDerWaalsContact O-CD1 3.32Å; L63-I67 WeakPolarHBondContact O-CD1 3.42Å; L63-I67 WeakPolarHBondContact O-CG1 3.31Å; L63-I67 PolarHBondContact O-N 2.97Å; L63-I83 HydrophobicContact CD1-CD1 3.83Å
64R56.3Low58.3Low88 Ų8875.4 Ų75.433%0.33240%0.395SS..Hα-helixtrans-59.3-45.4-175.4-64.1-178.6164.4-138.21.4114.1K60 Y61 E62 K66 S68 W87K60-R64 WeakPolarHBondContact O-CG 3.34Å; Y61-R64 VanDerWaalsContact CD2-CD 3.44Å; Y61-R64 HydrophobicContact CD2-CG 4.49Å; Y61-R64 WeakPolarHBondContact O-CB 3.23Å; Y61-R64 WeakPolarHBondContact O-CG 3.32Å; Y61-R64 PolarHBondContact O-N 3.4Å; E62-R64 PolarHBondContact O-N 3.12Å; R64-K66 VanDerWaalsContact C-N 3.31Å; R64-S68 VanDerWaalsContact O-CB 3.24Å; R64-S68 WeakPolarHBondContact O-CB 2.77Å; R64-S68 PolarHBondContact O-N 3.39Å; R64-S68 PolarHBondContact O-OG 2.93Å; R64-W87 HydrophobicContact CB-CH2 3.7Å; R64-W87 HydrophobicContact CB-CZ2 4.24Å; R64-W87 HydrophobicContact CB-CZ3 4.4Å; R64-W87 VanDerWaalsContact CD-CH2 3.48Å; R64-W87 HydrophobicContact CG-CH2 3.24Å; R64-W87 HydrophobicContact CG-CZ2 4.23Å; R64-W87 HydrophobicContact CG-CZ3 3.56Å
65P56.7Low57.3Low89 Ų8976.7 Ų76.758%0.57840%0.396SS*.Hα-helixtrans-62.5-41.7175.3-21.335.2000111E62 S68 Q69E62-P65 VanDerWaalsContact O-CD 3.23Å; E62-P65 WeakPolarHBondContact O-CD 3.39Å; P65-S68 PolarHBondContact O-N 2.74Å; P65-Q69 VanDerWaalsContact O-CB 3.25Å; P65-Q69 WeakPolarHBondContact O-CB 3.33Å; P65-Q69 PolarHBondContact O-N 3.03Å
66K58.9Low56.9Low114 Ų11477.2 Ų77.250%0.49640%0.4SS..Hα-helixtrans-65.2-46.4178.9-171177.2179.7-179.80112.6L63 R64 Q69 E70L63-K66 HydrophobicContact CD2-CD 4.32Å; L63-K66 CarbonylContact O-C 3.45Å; L63-K66 WeakPolarHBondContact O-CB 3.4Å; L63-K66 PolarHBondContact O-N 3.41Å; L63-K66 VanDerWaalsContact O-N 3.12Å; R64-K66 VanDerWaalsContact C-N 3.31Å; K66-Q69 PolarHBondContact O-N 3.4Å; K66-E70 WeakPolarHBondContact CE-OE1 3.36Å; K66-E70 WeakPolarHBondContact O-CB 3.47Å; K66-E70 WeakPolarHBondContact O-CG 3.18Å; K66-E70 PolarHBondContact O-N 3.08Å
67I56.8Low56.5Low7 Ų777.8 Ų77.84%0.03641%0.412CS..Hα-helixtrans-60.5-46.8174.3-68.5157000110.1L63 Q69 E70 I71 I79 I83 W87L63-I67 HydrophobicContact CB-CD1 3.68Å; L63-I67 HydrophobicContact CB-CG1 4.22Å; L63-I67 WeakPolarHBondContact O-CB 3.44Å; L63-I67 VanDerWaalsContact O-CD1 3.32Å; L63-I67 WeakPolarHBondContact O-CD1 3.42Å; L63-I67 WeakPolarHBondContact O-CG1 3.31Å; L63-I67 PolarHBondContact O-N 2.97Å; I67-Q69 VanDerWaalsContact C-N 3.31Å; I67-Q69 PolarHBondContact O-N 3.49Å; I67-E70 PolarHBondContact O-N 3.2Å; I67-I71 HydrophobicContact CG2-CD1 3.61Å; I67-I71 HydrophobicContact CG2-CG1 4.35Å; I67-I71 WeakPolarHBondContact O-CB 3.36Å; I67-I71 WeakPolarHBondContact O-CG1 3.39Å; I67-I71 PolarHBondContact O-N 2.72Å; I67-I79 HydrophobicContact CG1-CG2 4.37Å; I67-I79 HydrophobicContact CG2-CD1 4.18Å; I67-I83 HydrophobicContact CD1-CG2 3.16Å; I67-I83 HydrophobicContact CG1-CG2 3.81Å; I67-W87 HydrophobicContact CG2-CD2 3.95Å; I67-W87 HydrophobicContact CG2-CG 3.89Å
68S53.9Low56.4Low40 Ų4078.6 Ų78.628%0.2841%0.414SS..Hα-helixtrans-62-43.9179.1-58.50000110.3R64 P65 L72R64-S68 VanDerWaalsContact O-CB 3.24Å; R64-S68 WeakPolarHBondContact O-CB 2.77Å; R64-S68 PolarHBondContact O-N 3.39Å; R64-S68 PolarHBondContact O-OG 2.93Å; P65-S68 PolarHBondContact O-N 2.74Å; S68-L72 WeakPolarHBondContact O-CB 3.32Å; S68-L72 VanDerWaalsContact O-CD1 3.29Å; S68-L72 WeakPolarHBondContact O-CD1 3.43Å; S68-L72 WeakPolarHBondContact O-CG 3.44Å; S68-L72 PolarHBondContact O-N 3.3Å
69Q50.4Low56.1Low64 Ų6478.2 Ų78.230%0.29941%0.413SS..Hα-helixtrans-61.9-51.3175.3-175.2-178-3.500111.9P65 K66 I67 I71 L72 C73P65-Q69 VanDerWaalsContact O-CB 3.25Å; P65-Q69 WeakPolarHBondContact O-CB 3.33Å; P65-Q69 PolarHBondContact O-N 3.03Å; K66-Q69 PolarHBondContact O-N 3.4Å; I67-Q69 VanDerWaalsContact C-N 3.31Å; I67-Q69 PolarHBondContact O-N 3.49Å; Q69-I71 VanDerWaalsContact C-N 3.34Å; Q69-I71 PolarHBondContact O-N 2.87Å; Q69-L72 PolarHBondContact O-N 3.42Å; Q69-C73 VanDerWaalsContact O-CB 3.27Å; Q69-C73 WeakPolarHBondContact O-CB 3.45Å; Q69-C73 PolarHBondContact O-N 3.46Å; Q69-C73 PolarHBondContact O-SG 3.31Å
70E57.5Low56.2Low27 Ų2776.9 Ų76.913%0.12641%0.413CS..Hα-helixtrans-63.4-38-179.3-75.4-179.7-169.600111.9K66 I67 G74 E75 S76 I79K66-E70 WeakPolarHBondContact CE-OE1 3.36Å; K66-E70 WeakPolarHBondContact O-CB 3.47Å; K66-E70 WeakPolarHBondContact O-CG 3.18Å; K66-E70 PolarHBondContact O-N 3.08Å; I67-E70 PolarHBondContact O-N 3.2Å; E70-G74 PolarHBondContact O-N 2.9Å; E70-E75 HydrophobicContact CB-CB 4.43Å; E70-E75 CarbonylContact O-C 3.58Å; E70-E75 WeakPolarHBondContact O-CA 3.36Å; E70-E75 PolarHBondContact O-N 2.91Å; E70-S76 PolarHBondContact O-N 3.38Å; E70-I79 HydrophobicContact CB-CD1 3.87Å; E70-I79 HydrophobicContact CB-CG1 4.07Å; E70-I79 WeakPolarHBondContact OE2-CG1 3.37Å
71I55.7Low56.2Low70 Ų7076.3 Ų76.336%0.35942%0.42SS..Hα-helixtrans-66.2-46.2173.4-68.8172000110.8I67 Q69 G74 I79 W87I67-I71 HydrophobicContact CG2-CD1 3.61Å; I67-I71 HydrophobicContact CG2-CG1 4.35Å; I67-I71 WeakPolarHBondContact O-CB 3.36Å; I67-I71 WeakPolarHBondContact O-CG1 3.39Å; I67-I71 PolarHBondContact O-N 2.72Å; Q69-I71 VanDerWaalsContact C-N 3.34Å; Q69-I71 PolarHBondContact O-N 2.87Å; I71-G74 PolarHBondContact O-N 3.38Å; I71-I79 HydrophobicContact CD1-CD1 4.23Å; I71-I79 HydrophobicContact CG1-CD1 3.64Å; I71-W87 HydrophobicContact CD1-CG 4.37Å
72L48.3Very low56.2Low108 Ų10878 Ų7857%0.56543%0.433SS*.Hα-helixtrans-67.3-35-178.8-73.9167000112.7S68 Q69 G74S68-L72 WeakPolarHBondContact O-CB 3.32Å; S68-L72 VanDerWaalsContact O-CD1 3.29Å; S68-L72 WeakPolarHBondContact O-CD1 3.43Å; S68-L72 WeakPolarHBondContact O-CG 3.44Å; S68-L72 PolarHBondContact O-N 3.3Å; Q69-L72 PolarHBondContact O-N 3.42Å; L72-G74 VanDerWaalsContact C-N 3.27Å; L72-G74 PolarHBondContact O-N 3.4Å
73C55.4Low55.9Low59 Ų5974.2 Ų74.240%0.39942%0.416SS..THydrogen-bonded Turntrans-82.4-0.3177.4-66.90000113.3Q69 E75Q69-C73 VanDerWaalsContact O-CB 3.27Å; Q69-C73 WeakPolarHBondContact O-CB 3.45Å; Q69-C73 PolarHBondContact O-N 3.46Å; Q69-C73 PolarHBondContact O-SG 3.31Å; C73-E75 VanDerWaalsContact C-N 3.27Å; C73-E75 HydrophobicContact CB-CG 4.26Å; C73-E75 PolarHBondContact O-N 3.43Å
74G48Very low55.6Low63 Ų6372.8 Ų72.865%0.64941%0.411SS*.THydrogen-bonded Turntrans73.515.3-179.100000114.5E70 I71 L72 S76E70-G74 PolarHBondContact O-N 2.9Å; I71-G74 PolarHBondContact O-N 3.38Å; L72-G74 VanDerWaalsContact C-N 3.27Å; L72-G74 PolarHBondContact O-N 3.4Å; G74-S76 VanDerWaalsContact C-N 3.33Å
75E55.2Low55.4Low73 Ų7371.6 Ų71.634%0.34142%0.416SS..  trans-95.827.9179.7-57.6-163164.200112.9E70 C73 S77 K78E70-E75 HydrophobicContact CB-CB 4.43Å; E70-E75 CarbonylContact O-C 3.58Å; E70-E75 WeakPolarHBondContact O-CA 3.36Å; E70-E75 PolarHBondContact O-N 2.91Å; C73-E75 VanDerWaalsContact C-N 3.27Å; C73-E75 HydrophobicContact CB-CG 4.26Å; C73-E75 PolarHBondContact O-N 3.43Å; E75-S77 PolarHBondContact O-N 2.89Å; E75-K78 PolarHBondContact O-N 3.3Å; E75-K78 VanDerWaalsContact O-N 3.16Å; E75-K78 IonicContact OE1-NZ 3.95Å; E75-K78 IonicContact OE2-NZ 2.71Å; E75-K78 PolarHBondContact OE2-NZ 2.94Å
76S54.6Low55.1Low67 Ų6769.6 Ų69.647%0.46940%0.404SS..G310 helixtrans-60.9-13.6-17462.50000115E70 G74 K78 I79E70-S76 PolarHBondContact O-N 3.38Å; G74-S76 VanDerWaalsContact C-N 3.33Å; S76-K78 PolarHBondContact O-N 3.14Å; S76-I79 PolarHBondContact O-N 2.73Å
77S56.7Low54.3Low114 Ų11465.7 Ų65.780%0.79739%0.386SS*.G310 helixtrans-68.5-13.4176.158.70000114.3E75E75-S77 PolarHBondContact O-N 2.89Å
78K61Low53.7Low113 Ų11370.5 Ų70.549%0.49141%0.412SS..G310 helixtrans-89.9-7.3176.9-63.5176.9-173.5166.70113.6E75 S76E75-K78 PolarHBondContact O-N 3.3Å; E75-K78 VanDerWaalsContact O-N 3.16Å; E75-K78 IonicContact OE1-NZ 3.95Å; E75-K78 IonicContact OE2-NZ 2.71Å; E75-K78 PolarHBondContact OE2-NZ 2.94Å; S76-K78 PolarHBondContact O-N 3.14Å
79I55.9Low53.4Low14 Ų1475.7 Ų75.77%0.07244%0.437CS..SBendtrans-91.1127.5-177.2-54.3172.1000109.5I67 E70 I71 S76 V81 I83I67-I79 HydrophobicContact CG1-CG2 4.37Å; I67-I79 HydrophobicContact CG2-CD1 4.18Å; E70-I79 HydrophobicContact CB-CD1 3.87Å; E70-I79 HydrophobicContact CB-CG1 4.07Å; E70-I79 WeakPolarHBondContact OE2-CG1 3.37Å; I71-I79 HydrophobicContact CD1-CD1 4.23Å; I71-I79 HydrophobicContact CG1-CD1 3.64Å; S76-I79 PolarHBondContact O-N 2.73Å; I79-V81 PolarHBondContact O-N 2.83Å; I79-I83 HydrophobicContact CG2-CB 4Å; I79-I83 HydrophobicContact CG2-CG2 3.95Å
80P59.2Low53.2Low78 Ų7876.1 Ų76.151%0.50644%0.443SS..  trans-52.5130.5170.6-26.233.9000111.5E82 I83 S84P80-E82 PolarHBondContact O-N 2.8Å; P80-E82 VanDerWaalsContact O-N 3.1Å; P80-I83 HydrophobicContact CB-CD1 4.06Å; P80-I83 HydrophobicContact CB-CG1 4.14Å; P80-I83 HydrophobicContact CG-CD1 3.9Å; P80-I83 WeakPolarHBondContact O-CA 3.07Å; P80-I83 WeakPolarHBondContact O-CB 3.21Å; P80-I83 PolarHBondContact O-N 3.41Å; P80-S84 PolarHBondContact O-N 3.48Å; P80-S84 VanDerWaalsContact O-N 3.14Å
81V61.7Low52.7Low113 Ų11378.2 Ų78.269%0.68545%0.453SS*.Hα-helixtrans-54-36.8-173.3173.80000112.5I79 I83 S84 S85I79-V81 PolarHBondContact O-N 2.83Å; V81-I83 VanDerWaalsContact C-N 3.28Å; V81-I83 PolarHBondContact O-N 2.85Å; V81-S84 PolarHBondContact O-N 2.89Å; V81-S85 WeakPolarHBondContact O-CB 3.21Å; V81-S85 PolarHBondContact O-N 3.36Å; V81-S85 PolarHBondContact O-OG 3.36Å
82E60.2Low52.2Low168 Ų16878 Ų7879%0.78546%0.458SS*.Hα-helixtrans-60.3-38.5177.4-63.5178-179.800112.7P80 S86P80-E82 PolarHBondContact O-N 2.8Å; P80-E82 VanDerWaalsContact O-N 3.1Å; E82-S86 WeakPolarHBondContact O-CB 3.33Å; E82-S86 PolarHBondContact O-N 2.89Å; E82-S86 VanDerWaalsContact O-N 3.08Å; E82-S86 PolarHBondContact O-OG 3.44Å
83I53Low52.1Low27 Ų2777.9 Ų77.914%0.13846%0.455CS..Hα-helixtrans-71.6-45.3178.2-61-178000109.3L63 I67 I79 P80 V81 S85 S86 W87L63-I83 HydrophobicContact CD1-CD1 3.83Å; I67-I83 HydrophobicContact CD1-CG2 3.16Å; I67-I83 HydrophobicContact CG1-CG2 3.81Å; I79-I83 HydrophobicContact CG2-CB 4Å; I79-I83 HydrophobicContact CG2-CG2 3.95Å; P80-I83 HydrophobicContact CB-CD1 4.06Å; P80-I83 HydrophobicContact CB-CG1 4.14Å; P80-I83 HydrophobicContact CG-CD1 3.9Å; P80-I83 WeakPolarHBondContact O-CA 3.07Å; P80-I83 WeakPolarHBondContact O-CB 3.21Å; P80-I83 PolarHBondContact O-N 3.41Å; V81-I83 VanDerWaalsContact C-N 3.28Å; V81-I83 PolarHBondContact O-N 2.85Å; I83-S85 PolarHBondContact O-N 3.12Å; I83-S86 PolarHBondContact O-N 3.42Å; I83-S86 PolarHBondContact O-OG 2.9Å; I83-W87 PolarHBondContact O-N 3.04Å
84S51.7Low51.8Low32 Ų3277 Ų7722%0.22445%0.451CS..Hα-helixtrans-60.1-45.3176-175.50000112.7P80 V81 S86 W87 N88P80-S84 PolarHBondContact O-N 3.48Å; P80-S84 VanDerWaalsContact O-N 3.14Å; V81-S84 PolarHBondContact O-N 2.89Å; S84-S86 PolarHBondContact O-N 2.83Å; S84-W87 WeakPolarHBondContact O-CA 3.29Å; S84-W87 WeakPolarHBondContact O-CB 3.49Å; S84-W87 PolarHBondContact O-N 3.1Å; S84-W87 VanDerWaalsContact O-N 3.08Å; S84-N88 PolarHBondContact O-N 3.2Å
85S53.2Low51.7Low63 Ų6377.1 Ų77.144%0.44144%0.436SS..Hα-helixtrans-62.7-40.5175.9-77.20000112.4V81 I83 W87 N88 N89V81-S85 WeakPolarHBondContact O-CB 3.21Å; V81-S85 PolarHBondContact O-N 3.36Å; V81-S85 PolarHBondContact O-OG 3.36Å; I83-S85 PolarHBondContact O-N 3.12Å; S85-W87 PolarHBondContact O-N 3.15Å; S85-N88 PolarHBondContact O-N 3.33Å; S85-N89 PolarHBondContact O-N 3.44Å
86S49.1Very low51.3Low47 Ų4779.8 Ų79.833%0.32944%0.443SS..Hα-helixtrans-65-30.6173.970.90000112.4E82 I83 S84 V90E82-S86 WeakPolarHBondContact O-CB 3.33Å; E82-S86 PolarHBondContact O-N 2.89Å; E82-S86 VanDerWaalsContact O-N 3.08Å; E82-S86 PolarHBondContact O-OG 3.44Å; I83-S86 PolarHBondContact O-N 3.42Å; I83-S86 PolarHBondContact O-OG 2.9Å; S84-S86 PolarHBondContact O-N 2.83Å; S86-V90 WeakPolarHBondContact O-CG2 3.33Å; S86-V90 PolarHBondContact O-N 3.28Å
87W42.7Very low51.2Low33 Ų3383.1 Ų83.113%0.12545%0.45CS..Hα-helixtrans-72.9-41.8176.9-145.3-114.6000113.3R64 I67 I71 I83 S84 S85 N89 V90 Q91R64-W87 HydrophobicContact CB-CH2 3.7Å; R64-W87 HydrophobicContact CB-CZ2 4.24Å; R64-W87 HydrophobicContact CB-CZ3 4.4Å; R64-W87 VanDerWaalsContact CD-CH2 3.48Å; R64-W87 HydrophobicContact CG-CH2 3.24Å; R64-W87 HydrophobicContact CG-CZ2 4.23Å; R64-W87 HydrophobicContact CG-CZ3 3.56Å; I67-W87 HydrophobicContact CG2-CD2 3.95Å; I67-W87 HydrophobicContact CG2-CG 3.89Å; I71-W87 HydrophobicContact CD1-CG 4.37Å; I83-W87 PolarHBondContact O-N 3.04Å; S84-W87 WeakPolarHBondContact O-CA 3.29Å; S84-W87 WeakPolarHBondContact O-CB 3.49Å; S84-W87 PolarHBondContact O-N 3.1Å; S84-W87 VanDerWaalsContact O-N 3.08Å; S85-W87 PolarHBondContact O-N 3.15Å; W87-N89 PolarHBondContact O-N 3.07Å; W87-V90 PolarHBondContact O-N 3.04Å; W87-Q91 PolarHBondContact O-N 3.29Å
88N44.6Very low50.6Low108 Ų10881.5 Ų81.558%0.57844%0.437SS*.Hα-helixtrans-59.8-32.2175.2-79.7-30.8000112.3S84 S85S84-N88 PolarHBondContact O-N 3.2Å; S85-N88 PolarHBondContact O-N 3.33Å
89N47.8Very low49.8Very low148 Ų14879.7 Ų79.779%0.79143%0.433SS*.Hα-helixtrans-79.1-21.9174.9-76.8-21.9000113.6S85 W87S85-N89 PolarHBondContact O-N 3.44Å; W87-N89 PolarHBondContact O-N 3.07Å
90V45.5Very low49.5Very low73 Ų7388.4 Ų88.444%0.44247%0.465SS..Hα-helixtrans-87.2-33.9-171165.10000112.9S86 W87S86-V90 WeakPolarHBondContact O-CG2 3.33Å; S86-V90 PolarHBondContact O-N 3.28Å; W87-V90 PolarHBondContact O-N 3.04Å
91Q47.8Very low49Very low72 Ų7294.2 Ų94.234%0.33648%0.482SS..Hα-helixtrans-15838.7-172-79.4-157.8-42.300119W87 E93 A94 I95W87-Q91 PolarHBondContact O-N 3.29Å; Q91-E93 VanDerWaalsContact C-N 3.31Å; Q91-E93 PolarHBondContact O-N 3.46Å; Q91-A94 HydrophobicContact CB-CB 4.29Å; Q91-A94 HydrophobicContact CG-CB 3.9Å; Q91-I95 HydrophobicContact CB-CB 4.47Å; Q91-I95 HydrophobicContact CB-CD1 3.41Å; Q91-I95 VanDerWaalsContact CB-CD1 3.41Å; Q91-I95 HydrophobicContact CB-CG1 3.67Å; Q91-I95 HydrophobicContact CG-CD1 4.45Å; Q91-I95 HydrophobicContact CG-CG1 4.46Å; Q91-I95 WeakPolarHBondContact O-CB 3.38Å; Q91-I95 WeakPolarHBondContact O-CD1 3.12Å; Q91-I95 WeakPolarHBondContact O-CG1 3.49Å; Q91-I95 PolarHBondContact O-N 3.42Å; Q91-I95 VanDerWaalsContact O-N 3.11Å
92S45Very low47.7Very low65 Ų6590.8 Ų90.846%0.45547%0.469SS..Hα-helixtrans-66.3-32.1171.254.90000113.5R96S92-R96 WeakPolarHBondContact O-CB 3.16Å; S92-R96 WeakPolarHBondContact O-CG 3.34Å; S92-R96 PolarHBondContact O-N 3Å; S92-R96 PolarHBondContact O-NE 3.08Å; S92-R96 VanDerWaalsContact O-NE 3.11Å
93E45.2Very low46.5Very low106 Ų10686 Ų8650%0.49547%0.465SS..Hα-helixtrans-85.6-41.6-179.2-152.878.9-167.100112.4Q91 R96 K97Q91-E93 VanDerWaalsContact C-N 3.31Å; Q91-E93 PolarHBondContact O-N 3.46Å; E93-R96 PolarHBondContact O-N 2.9Å; E93-R96 IonicContact OE1-NH1 2.92Å; E93-R96 IonicContact OE2-CZ 3.69Å; E93-R96 IonicContact OE2-NH1 3.85Å; E93-R96 PolarHBondContact OE2-NH1 2.96Å; E93-R96 IonicContact OE2-NH2 3.11Å; E93-K97 WeakPolarHBondContact O-CB 3.49Å; E93-K97 WeakPolarHBondContact O-CG 3.48Å; E93-K97 PolarHBondContact O-N 3.47Å
94A48.7Very low45.8Very low39 Ų3988.6 Ų88.632%0.32249%0.485SS..Hα-helixtrans-71.8-43.7-178.800000112Q91 K97 C98Q91-A94 HydrophobicContact CB-CB 4.29Å; Q91-A94 HydrophobicContact CG-CB 3.9Å; A94-K97 PolarHBondContact O-N 3.26Å; A94-C98 WeakPolarHBondContact O-CB 3.24Å; A94-C98 PolarHBondContact O-N 3.34Å; A94-C98 PolarHBondContact O-SG 2.9Å; A94-C98 VanDerWaalsContact O-SG 3.39Å
95I46.6Very low45.2Very low67 Ų6790.9 Ų90.934%0.34450%0.497SS..Hα-helixtrans-65.4-40.6172.8-69.3158.8000110.2Q91 K97 C98 L99Q91-I95 HydrophobicContact CB-CB 4.47Å; Q91-I95 HydrophobicContact CB-CD1 3.41Å; Q91-I95 VanDerWaalsContact CB-CD1 3.41Å; Q91-I95 HydrophobicContact CB-CG1 3.67Å; Q91-I95 HydrophobicContact CG-CD1 4.45Å; Q91-I95 HydrophobicContact CG-CG1 4.46Å; Q91-I95 WeakPolarHBondContact O-CB 3.38Å; Q91-I95 WeakPolarHBondContact O-CD1 3.12Å; Q91-I95 WeakPolarHBondContact O-CG1 3.49Å; Q91-I95 PolarHBondContact O-N 3.42Å; Q91-I95 VanDerWaalsContact O-N 3.11Å; I95-K97 VanDerWaalsContact C-N 3.34Å; I95-K97 PolarHBondContact O-N 3.29Å; I95-C98 PolarHBondContact O-N 3.39Å; I95-L99 HydrophobicContact CG2-CD1 3.66Å; I95-L99 HydrophobicContact CG2-CG 4.13Å; I95-L99 WeakPolarHBondContact O-CB 3.46Å; I95-L99 VanDerWaalsContact O-CG 3.26Å; I95-L99 WeakPolarHBondContact O-CG 3.16Å; I95-L99 PolarHBondContact O-N 3.45Å
96R46.9Very low44.7Very low128 Ų12897.3 Ų97.348%0.48352%0.517SS..Hα-helixtrans-60.6-40.7173.4-89.1-171.6-102.9124.1-3.8112.6S92 E93 R100S92-R96 WeakPolarHBondContact O-CB 3.16Å; S92-R96 WeakPolarHBondContact O-CG 3.34Å; S92-R96 PolarHBondContact O-N 3Å; S92-R96 PolarHBondContact O-NE 3.08Å; S92-R96 VanDerWaalsContact O-NE 3.11Å; E93-R96 PolarHBondContact O-N 2.9Å; E93-R96 IonicContact OE1-NH1 2.92Å; E93-R96 IonicContact OE2-CZ 3.69Å; E93-R96 IonicContact OE2-NH1 3.85Å; E93-R96 PolarHBondContact OE2-NH1 2.96Å; E93-R96 IonicContact OE2-NH2 3.11Å; R96-R100 VanDerWaalsContact O-CB 3.3Å; R96-R100 WeakPolarHBondContact O-CB 3.44Å; R96-R100 PolarHBondContact O-N 3.4Å
97K52.9Low44.1Very low138 Ų138102.1 Ų102.160%0.654%0.539SS*.Hα-helixtrans-67.9-41.6177.6-82.3176.1178.2174.20111.8E93 A94 I95 R100 K101E93-K97 WeakPolarHBondContact O-CB 3.49Å; E93-K97 WeakPolarHBondContact O-CG 3.48Å; E93-K97 PolarHBondContact O-N 3.47Å; A94-K97 PolarHBondContact O-N 3.26Å; I95-K97 VanDerWaalsContact C-N 3.34Å; I95-K97 PolarHBondContact O-N 3.29Å; K97-R100 PolarHBondContact O-N 2.72Å; K97-K101 WeakPolarHBondContact O-CB 3.4Å; K97-K101 PolarHBondContact O-N 2.91Å
98C44.1Very low43.9Very low80 Ų80107.7 Ų107.754%0.54157%0.572SS.*Hα-helixtrans-65.2-44.8174.9-72.10000112A94 I95 R100 K101 G102A94-C98 WeakPolarHBondContact O-CB 3.24Å; A94-C98 PolarHBondContact O-N 3.34Å; A94-C98 PolarHBondContact O-SG 2.9Å; A94-C98 VanDerWaalsContact O-SG 3.39Å; I95-C98 PolarHBondContact O-N 3.39Å; C98-R100 VanDerWaalsContact C-N 3.33Å; C98-R100 PolarHBondContact O-N 3.46Å; C98-K101 PolarHBondContact O-N 3.49Å; C98-G102 PolarHBondContact O-N 2.93Å
99L44.7Very low44Very low75 Ų75108.4 Ų108.439%0.39358%0.579SS.*Hα-helixtrans-64.9-34.7176.4-69.8170.8000112.6I95 G103 C104I95-L99 HydrophobicContact CG2-CD1 3.66Å; I95-L99 HydrophobicContact CG2-CG 4.13Å; I95-L99 WeakPolarHBondContact O-CB 3.46Å; I95-L99 VanDerWaalsContact O-CG 3.26Å; I95-L99 WeakPolarHBondContact O-CG 3.16Å; I95-L99 PolarHBondContact O-N 3.45Å; L99-G103 PolarHBondContact O-N 2.72Å; L99-C104 HydrophobicContact CB-CB 4.4Å; L99-C104 HydrophobicContact CD2-CB 3.9Å; L99-C104 PolarHBondContact O-N 3.5Å
100R50Low43.5Very low197 Ų197111.8 Ų111.874%0.74359%0.587SS**Hα-helixtrans-70.6-39.1174.6-167.2-176.1-63.1-146.7-0.2112.1R96 K97 C98R96-R100 VanDerWaalsContact O-CB 3.3Å; R96-R100 WeakPolarHBondContact O-CB 3.44Å; R96-R100 PolarHBondContact O-N 3.4Å; K97-R100 PolarHBondContact O-N 2.72Å; C98-R100 VanDerWaalsContact C-N 3.33Å; C98-R100 PolarHBondContact O-N 3.46Å
101K47Very low43.5Very low200 Ų200115.4 Ų115.487%0.8760%0.603SS**Hα-helixtrans-69.8-33.3174.6-97.9-174.2169.3-1710112.7K97 C98 G103K97-K101 WeakPolarHBondContact O-CB 3.4Å; K97-K101 PolarHBondContact O-N 2.91Å; C98-K101 PolarHBondContact O-N 3.49Å; K101-G103 VanDerWaalsContact C-N 3.34Å; K101-G103 PolarHBondContact O-N 3.27Å
102G35Very low43.2Very low41 Ų41121.6 Ų121.642%0.42362%0.623SS.*THydrogen-bonded Turntrans-83.95.9177.900000115.8C98 C104C98-G102 PolarHBondContact O-N 2.93Å; G102-C104 VanDerWaalsContact C-N 3.34Å; G102-C104 PolarHBondContact O-N 3.24Å
103G35.1Very low43.1Very low68 Ų68124.3 Ų124.370%0.70164%0.64SS**THydrogen-bonded Turntrans74.715.6177.500000115.6L99 K101 V105L99-G103 PolarHBondContact O-N 2.72Å; K101-G103 VanDerWaalsContact C-N 3.34Å; K101-G103 PolarHBondContact O-N 3.27Å; G103-V105 PolarHBondContact O-N 2.69Å
104C37.4Very low42.8Very low81 Ų81124.8 Ų124.855%0.54765%0.645SS.*  trans-97.837.1-174-64.20000114.4L99 G102L99-C104 HydrophobicContact CB-CB 4.4Å; L99-C104 HydrophobicContact CD2-CB 3.9Å; L99-C104 PolarHBondContact O-N 3.5Å; G102-C104 VanDerWaalsContact C-N 3.34Å; G102-C104 PolarHBondContact O-N 3.24Å
105V40.8Very low42.4Very low80 Ų80127.9 Ų127.949%0.48567%0.665SS.*  trans-127115.6169.1-177.60000109.2G103 D107G103-V105 PolarHBondContact O-N 2.69Å; V105-D107 PolarHBondContact O-N 2.93Å
106K42.7Very low42Very low197 Ų197131 Ų13186%0.85769%0.69SS**  trans-72115.3159.8-75177.6175.7173.80106.7D108K106-D108 PolarHBondContact O-N 3.46Å
107D36.8Very low41.6Very low148 Ų148130.8 Ų130.879%0.79170%0.703SS**SBendtrans-61.992.1-180-77.3-37.6000111V105V105-D107 PolarHBondContact O-N 2.93Å
108D38.6Very low40.8Very low151 Ų151135.9 Ų135.981%0.80772%0.718SS**  trans-152.733.9172.7-91-34.7000114.6K106K106-D108 PolarHBondContact O-N 3.46Å
109V45.6Very low40.6Very low122 Ų122139.2 Ų139.274%0.73973%0.731SS**  trans-148.4112.2158.1-168.10000111L111V109-L111 VanDerWaalsContact C-N 3.34Å; V109-L111 HydrophobicContact CG1-CD1 4.5Å; V109-L111 HydrophobicContact CG1-CD2 4.08Å; V109-L111 HydrophobicContact CG1-CG 3.81Å; V109-L111 PolarHBondContact O-N 3.45Å
110K37.5Very low40.4Very low219 Ų219140 Ų14095%0.95275%0.748SS**  trans-68.784.8168.1-77.7178.9176.9174.70110.3
111L45.4Very low39.9Very low150 Ų150139.7 Ų139.779%0.78576%0.755SS**  trans-91.8108.9165.2-67.8177.8000109.6V109V109-L111 VanDerWaalsContact C-N 3.34Å; V109-L111 HydrophobicContact CG1-CD1 4.5Å; V109-L111 HydrophobicContact CG1-CD2 4.08Å; V109-L111 HydrophobicContact CG1-CG 3.81Å; V109-L111 PolarHBondContact O-N 3.45Å
112R40.7Very low39.7Very low201 Ų201138 Ų13876%0.75875%0.753SS**  trans-67.2123.2174.1178.2-175.3167.5174.2-2.8109.6D114R112-D114 IonicContact CZ-OD2 2.87Å; R112-D114 IonicContact NE-OD1 3.59Å; R112-D114 IonicContact NE-OD2 3.53Å; R112-D114 IonicContact NH2-OD1 3.71Å; R112-D114 IonicContact NH2-OD2 3.59Å
113P43.2Very low40.1Very low123 Ų123144 Ų14480%0.79977%0.771SS**  trans-89.3110.4176.731.2-25000109.8
114D38.4Very low40.5Very low115 Ų115144.1 Ų144.162%0.61577%0.772SS**  trans-99.7121.2167.9-84.8-24.5000109.9R112R112-D114 IonicContact CZ-OD2 2.87Å; R112-D114 IonicContact NE-OD1 3.59Å; R112-D114 IonicContact NE-OD2 3.53Å; R112-D114 IonicContact NH2-OD1 3.71Å; R112-D114 IonicContact NH2-OD2 3.59Å
115S41.9Very low40.7Very low105 Ų105143.5 Ų143.573%0.73477%0.772SS**  trans87.1112.8161.4-29.50000119
116P37.8Very low41.5Very low132 Ų132142.7 Ų142.786%0.85777%0.765SS**  trans-88.1107.4170.833.1-25.9000110.1
117T37.6Very low41.6Very low123 Ų123138.9 Ų138.976%0.75575%0.749SS**  trans-82.4126.1162-51.80000107.6D119T117-D119 PolarHBondContact O-N 3.29Å
118R36.2Very low42.3Very low245 Ų245137.6 Ų137.693%0.92574%0.742SS**  trans-52.299.8-179.1-84.6172.467.11682.5111.3
119D39.9Very low43.4Very low151 Ų151134.1 Ų134.181%0.80772%0.723SS**  trans-80.5130161-70.9-35000108.6T117 E121T117-D119 PolarHBondContact O-N 3.29Å; D119-E121 PolarHBondContact O-N 2.94Å
120A40.6Very low43.8Very low91 Ų91132.5 Ų132.575%0.75271%0.707SS**  trans-54.8126173.700000109.3I122A120-I122 PolarHBondContact O-N 2.86Å
121E39Very low44.5Very low190 Ų190123.5 Ų123.589%0.88867%0.67SS**  trans-51.9105.7168.1-72.7169.5162.900108D119 E123D119-E121 PolarHBondContact O-N 2.94Å; E121-E123 PolarHBondContact O-N 3.11Å
122I43.1Very low45.3Very low164 Ų164118.9 Ų118.984%0.84165%0.654SS**  trans-69.998.2159.1-55174.9000103.4A120 G124A120-I122 PolarHBondContact O-N 2.86Å; I122-G124 PolarHBondContact O-N 3.06Å; I122-G124 VanDerWaalsContact O-N 3.11Å
123E43.9Very low46.1Very low169 Ų169111.6 Ų111.679%0.7963%0.629SS**  trans-44.8118171.7-172168.1-166.800108E121 A125E121-E123 PolarHBondContact O-N 3.11Å; E123-A125 HydrophobicContact CG-CB 4.36Å; E123-A125 PolarHBondContact O-N 3.1Å
124G42.9Very low46.8Very low70 Ų70109.1 Ų109.172%0.72261%0.609SS**SBendtrans-70.637.1-167.900000115I122I122-G124 PolarHBondContact O-N 3.06Å; I122-G124 VanDerWaalsContact O-N 3.11Å
125A42.3Very low47.6Very low68 Ų68108.9 Ų108.956%0.56261%0.608SS**  trans-104.831.6-168.800000114.2E123E123-A125 HydrophobicContact CG-CB 4.36Å; E123-A125 PolarHBondContact O-N 3.1Å
126D57.9Low48.5Very low62 Ų62111.8 Ų111.833%0.33261%0.61SS.*SBendtrans-140.7-34.5-175.5-177.6-0.1000113.4F46 D129 F130F46-D126 HydrophobicContact CE1-CB 3.86Å; F46-D126 VanDerWaalsContact CE1-CG 3.47Å; F46-D126 WeakPolarHBondContact CE2-OD1 3.24Å; F46-D126 WeakPolarHBondContact CE2-OD2 3.33Å; F46-D126 HydrophobicContact CZ-CB 3.86Å; F46-D126 WeakPolarHBondContact CZ-OD1 3.43Å; F46-D126 VanDerWaalsContact CZ-OD2 3.24Å; F46-D126 WeakPolarHBondContact CZ-OD2 3.36Å; D126-D129 WeakPolarHBondContact O-CB 3.4Å; D126-D129 PolarHBondContact O-N 3.37Å; D126-F130 PolarHBondContact O-N 3.37Å
127F44.2Very low49.2Very low117 Ų117107.4 Ų107.451%0.51358%0.581SS.*Hα-helixtrans-68-45.4-178.7-171.7-102.7000112.7D129 F130 V131F127-D129 PolarHBondContact O-N 3.18Å; F127-F130 PolarHBondContact O-N 2.9Å; F127-F130 VanDerWaalsContact O-N 3.14Å; F127-V131 HydrophobicContact CD1-CG2 3.84Å; F127-V131 HydrophobicContact CE1-CG2 3.44Å; F127-V131 VanDerWaalsContact CE1-CG2 3.44Å; F127-V131 HydrophobicContact CE2-CG2 4.2Å; F127-V131 HydrophobicContact CG-CG2 4.39Å; F127-V131 HydrophobicContact CZ-CG2 3.64Å; F127-V131 WeakPolarHBondContact O-CG2 3.48Å; F127-V131 PolarHBondContact O-N 3.39Å
128D52.1Low49.5Very low121 Ų121105.1 Ų105.165%0.64757%0.574SS**Hα-helixtrans-64.6-30.4178.4-64.1-18.4000111.8A132D128-A132 WeakPolarHBondContact O-CB 3.48Å; D128-A132 PolarHBondContact O-N 2.88Å
129D61.2Low49.6Very low78 Ų78100.5 Ų100.542%0.41757%0.573SS.*Hα-helixtrans-67.9-42.3174.2-115.535.9000111.1K45 D126 F127 I133K45-D129 IonicContact NZ-OD2 3.71Å; K45-D129 PolarHBondContact NZ-OD2 2.81Å; D126-D129 WeakPolarHBondContact O-CB 3.4Å; D126-D129 PolarHBondContact O-N 3.37Å; F127-D129 PolarHBondContact O-N 3.18Å; D129-I133 WeakPolarHBondContact O-CD1 3.22Å; D129-I133 WeakPolarHBondContact O-CG1 3.19Å; D129-I133 PolarHBondContact O-N 3.46Å; D129-I133 VanDerWaalsContact O-N 3.14Å
130F53.4Low49.8Very low88 Ų8897.4 Ų97.439%0.38656%0.563SS.*Hα-helixtrans-67.4-45.5175.7-179.5-90.9000111.6F42 D126 F127 I133 D134F42-F130 HydrophobicContact CE2-CD2 4.47Å; F42-F130 HydrophobicContact CE2-CE2 4.47Å; F42-F130 AromaticContact CZ-CD2 3.89Å; F42-F130 HydrophobicContact CZ-CD2 3.89Å; F42-F130 HydrophobicContact CZ-CE2 4.28Å; D126-F130 PolarHBondContact O-N 3.37Å; F127-F130 PolarHBondContact O-N 2.9Å; F127-F130 VanDerWaalsContact O-N 3.14Å; F130-I133 PolarHBondContact O-N 2.89Å; F130-D134 PolarHBondContact O-N 2.95Å
131V53.9Low50.2Low31 Ų3199.1 Ų99.119%0.18857%0.565CS.*Hα-helixtrans-62.6-44.5176.8173.20000110.4F127 I133 D134 D135F127-V131 HydrophobicContact CD1-CG2 3.84Å; F127-V131 HydrophobicContact CE1-CG2 3.44Å; F127-V131 VanDerWaalsContact CE1-CG2 3.44Å; F127-V131 HydrophobicContact CE2-CG2 4.2Å; F127-V131 HydrophobicContact CG-CG2 4.39Å; F127-V131 HydrophobicContact CZ-CG2 3.64Å; F127-V131 WeakPolarHBondContact O-CG2 3.48Å; F127-V131 PolarHBondContact O-N 3.39Å; V131-I133 VanDerWaalsContact C-N 3.27Å; V131-I133 PolarHBondContact O-N 3.22Å; V131-D134 PolarHBondContact O-N 3.34Å; V131-D134 VanDerWaalsContact O-N 3.13Å; V131-D135 WeakPolarHBondContact O-CB 3.21Å; V131-D135 PolarHBondContact O-N 3.06Å
132A60.9Low50.4Low53 Ų5397.6 Ų97.644%0.43856%0.558SS.*Hα-helixtrans-60.2-36.7176.100000112.5D128 E136D128-A132 WeakPolarHBondContact O-CB 3.48Å; D128-A132 PolarHBondContact O-N 2.88Å; A132-E136 WeakPolarHBondContact O-CB 3.47Å; A132-E136 PolarHBondContact O-N 3.1Å
133I57.6Low50.8Low48 Ų4891.7 Ų91.725%0.24653%0.53CS..Hα-helixtrans-69-41174.8-68.8164.8000111.3D129 F130 V131 V137D129-I133 WeakPolarHBondContact O-CD1 3.22Å; D129-I133 WeakPolarHBondContact O-CG1 3.19Å; D129-I133 PolarHBondContact O-N 3.46Å; D129-I133 VanDerWaalsContact O-N 3.14Å; F130-I133 PolarHBondContact O-N 2.89Å; V131-I133 VanDerWaalsContact C-N 3.27Å; V131-I133 PolarHBondContact O-N 3.22Å; I133-V137 VanDerWaalsContact O-CG2 3.24Å; I133-V137 WeakPolarHBondContact O-CG2 3.14Å; I133-V137 PolarHBondContact O-N 2.98Å
134D57.6Low51.4Low70 Ų7087.8 Ų87.837%0.37451%0.514SS..Hα-helixtrans-69.7-39.3177.8-163.764.8000111.2R24 F130 V131 V137R24-D134 IonicContact NH2-OD1 3.75Å; R24-D134 PolarHBondContact NH2-OD1 2.9Å; R24-D134 VanDerWaalsContact NH2-OD1 3.11Å; F130-D134 PolarHBondContact O-N 2.95Å; V131-D134 PolarHBondContact O-N 3.34Å; V131-D134 VanDerWaalsContact O-N 3.13Å; D134-V137 PolarHBondContact O-N 3.13Å
135D56.6Low51.9Low110 Ų11088.8 Ų88.859%0.58851%0.508SS*.Hα-helixtrans-70.7-35.9177.5-82.5-14.3000113.3V131 V137V131-D135 WeakPolarHBondContact O-CB 3.21Å; V131-D135 PolarHBondContact O-N 3.06Å; D135-V137 PolarHBondContact O-N 3.3Å
136E60.6Low52.6Low166 Ų16692.8 Ų92.878%0.77652%0.515SS*.Hα-helixtrans-67-24175.6-170.6178.2-17700111.5A132 A138A132-E136 WeakPolarHBondContact O-CB 3.47Å; A132-E136 PolarHBondContact O-N 3.1Å; E136-A138 PolarHBondContact O-N 3.44Å
137V51.4Low52.8Low41 Ų4192.3 Ų92.325%0.24852%0.52CS..SBendtrans-7970.7173.1-175.80000109.1V21 A25 I133 D134 D135 T139V21-V137 HydrophobicContact CG1-CG2 4.05Å; A25-V137 HydrophobicContact CB-CG1 3.89Å; I133-V137 VanDerWaalsContact O-CG2 3.24Å; I133-V137 WeakPolarHBondContact O-CG2 3.14Å; I133-V137 PolarHBondContact O-N 2.98Å; D134-V137 PolarHBondContact O-N 3.13Å; D135-V137 PolarHBondContact O-N 3.3Å; V137-T139 PolarHBondContact O-N 3.27Å
138A44.2Very low53.3Low75 Ų7588.1 Ų88.162%0.6250%0.503SS*.  trans-54.1133.6170.700000110.2E136 S140E136-A138 PolarHBondContact O-N 3.44Å; A138-S140 PolarHBondContact O-N 3Å
139T38Very low53.4Low148 Ų14888.4 Ų88.491%0.90850%0.498SS*.  trans-6183.4175.250.40000110.3V137V137-T139 PolarHBondContact O-N 3.27Å
140S43.9Very low53.4Low85 Ų8589 Ų8959%0.59450%0.499SS*.  trans-75.9140.3170-178.10000108.1A138A138-S140 PolarHBondContact O-N 3Å
141T50.7Low53.8Low127 Ų12788.9 Ų88.978%0.77950%0.498SS*.  trans-25.2130.2178.4-29.30000113.9P143T141-P143 WeakPolarHBondContact O-CD 3.49Å
142E42.8Very low53.9Low158 Ų15890.9 Ų90.974%0.73851%0.507SS*.  trans-40.5108174.6-175.4177.9-167.300110.2
143P50.4Low53.7Low40 Ų4089.2 Ų89.226%0.2649%0.491SS..  trans-73.3148.3177.426.2-29.1000109.8A26 T141 P145 I148A26-P143 VanDerWaalsContact CA-CD 3.49Å; A26-P143 HydrophobicContact CB-CB 4.44Å; A26-P143 HydrophobicContact CB-CG 3.21Å; A26-P143 VanDerWaalsContact O-CD 3.25Å; A26-P143 WeakPolarHBondContact O-CD 3.44Å; A26-P143 WeakPolarHBondContact O-CG 3.49Å; T141-P143 WeakPolarHBondContact O-CD 3.49Å; P143-P145 WeakPolarHBondContact O-CD 3.22Å; P143-I148 HydrophobicContact CB-CD1 4.36Å; P143-I148 HydrophobicContact CB-CG1 4.24Å; P143-I148 HydrophobicContact CG-CD1 3.85Å; P143-I148 HydrophobicContact CG-CG1 4.08Å
144D57.5Low53.9Low87 Ų8792.1 Ų92.147%0.46551%0.507SS..  trans-53.3120.8175.3170.925.4000110.6Q146 A147 I148D144-Q146 PolarHBondContact O-N 3.29Å; D144-Q146 VanDerWaalsContact O-N 3.08Å; D144-Q146 PolarHBondContact OD1-N 3.34Å; D144-Q146 VanDerWaalsContact OD1-N 3.13Å; D144-A147 HydrophobicContact CB-CB 4.03Å; D144-A147 WeakPolarHBondContact O-CB 3.47Å; D144-A147 PolarHBondContact O-N 3.34Å; D144-A147 PolarHBondContact OD2-N 3.05Å; D144-I148 PolarHBondContact O-N 3.1Å
145P52.2Low54.1Low92 Ų9293 Ų9360%0.59751%0.509SS*.Hα-helixtrans-51.8-32.2177.7-28.435.4000113.7P143 F149P143-P145 WeakPolarHBondContact O-CD 3.22Å; P145-F149 PolarHBondContact O-N 3.32Å
146Q57.9Low54Low151 Ų15190.1 Ų90.171%0.70650%0.5SS*.Hα-helixtrans-70-39.7175.9-92.7164.7-38.300112.6D144 I148 F149 Q150D144-Q146 PolarHBondContact O-N 3.29Å; D144-Q146 VanDerWaalsContact O-N 3.08Å; D144-Q146 PolarHBondContact OD1-N 3.34Å; D144-Q146 VanDerWaalsContact OD1-N 3.13Å; Q146-I148 VanDerWaalsContact C-N 3.32Å; Q146-I148 PolarHBondContact O-N 3.05Å; Q146-F149 PolarHBondContact O-N 3.48Å; Q146-Q150 WeakPolarHBondContact O-CB 3.19Å; Q146-Q150 PolarHBondContact O-N 3.29Å
147A61.1Low53.4Low52 Ų5285.5 Ų85.543%0.4350%0.497SS..Hα-helixtrans-63.6-37.7175.900000112.3D144 F151D144-A147 HydrophobicContact CB-CB 4.03Å; D144-A147 WeakPolarHBondContact O-CB 3.47Å; D144-A147 PolarHBondContact O-N 3.34Å; D144-A147 PolarHBondContact OD2-N 3.05Å; A147-F151 VanDerWaalsContact O-CB 3.25Å; A147-F151 WeakPolarHBondContact O-CB 3.35Å; A147-F151 PolarHBondContact O-N 3.47Å
148I56.4Low53.1Low29 Ų2989.3 Ų89.315%0.14951%0.514CS..Hα-helixtrans-65.2-46.1176.2-55.7160.6000110.2A26 A28 P143 D144 Q146 F151 I152A26-I148 HydrophobicContact CB-CD1 3.84Å; A26-I148 HydrophobicContact CB-CG1 4.03Å; A28-I148 HydrophobicContact CB-CD1 3.94Å; A28-I148 HydrophobicContact CB-CG2 3.93Å; P143-I148 HydrophobicContact CB-CD1 4.36Å; P143-I148 HydrophobicContact CB-CG1 4.24Å; P143-I148 HydrophobicContact CG-CD1 3.85Å; P143-I148 HydrophobicContact CG-CG1 4.08Å; D144-I148 PolarHBondContact O-N 3.1Å; Q146-I148 VanDerWaalsContact C-N 3.32Å; Q146-I148 PolarHBondContact O-N 3.05Å; I148-F151 PolarHBondContact O-N 3.22Å; I148-I152 HydrophobicContact CG2-CD1 3.98Å; I148-I152 WeakPolarHBondContact O-CD1 3.38Å; I148-I152 VanDerWaalsContact O-CG1 3.27Å; I148-I152 WeakPolarHBondContact O-CG1 3.41Å; I148-I152 PolarHBondContact O-N 3.13Å
149F52.6Low53.3Low127 Ų12790.1 Ų90.156%0.55751%0.514SS*.Hα-helixtrans-62.9-44.3179.6-169.9-105.6000111.5P145 Q146 I152 L153P145-F149 PolarHBondContact O-N 3.32Å; Q146-F149 PolarHBondContact O-N 3.48Å; F149-I152 PolarHBondContact O-N 3.47Å; F149-L153 HydrophobicContact CD1-CD1 3.56Å; F149-L153 HydrophobicContact CD1-CG 4.34Å; F149-L153 HydrophobicContact CE1-CD1 3.42Å; F149-L153 VanDerWaalsContact CE1-CD1 3.42Å; F149-L153 HydrophobicContact CE1-CG 4.19Å; F149-L153 HydrophobicContact CG-CD1 4.45Å; F149-L153 HydrophobicContact CZ-CD1 4.2Å; F149-L153 VanDerWaalsContact O-CG 3.31Å; F149-L153 WeakPolarHBondContact O-CG 3.21Å; F149-L153 PolarHBondContact O-N 3.34Å
150Q61.8Low53.6Low91 Ų9187.8 Ų87.843%0.42550%0.5SS..Hα-helixtrans-66.9-39.1178.2-160.960.139.900112.2Q146 I152 L153 D154Q146-Q150 WeakPolarHBondContact O-CB 3.19Å; Q146-Q150 PolarHBondContact O-N 3.29Å; Q150-I152 VanDerWaalsContact C-N 3.34Å; Q150-I152 PolarHBondContact O-N 3.24Å; Q150-L153 WeakPolarHBondContact O-CB 3.48Å; Q150-L153 PolarHBondContact O-N 2.93Å; Q150-D154 PolarHBondContact NE2-OD1 3.37Å; Q150-D154 VanDerWaalsContact NE2-OD1 3.14Å; Q150-D154 WeakPolarHBondContact O-CB 3.17Å; Q150-D154 VanDerWaalsContact O-CG 3.25Å; Q150-D154 PolarHBondContact O-N 3.44Å
151F61.8Low53.8Low86 Ų8691.3 Ų91.338%0.37751%0.507SS..Hα-helixtrans-59.7-43.9173.9179.1-96.3000111.9A147 I148 L153 D154 E155A147-F151 VanDerWaalsContact O-CB 3.25Å; A147-F151 WeakPolarHBondContact O-CB 3.35Å; A147-F151 PolarHBondContact O-N 3.47Å; I148-F151 PolarHBondContact O-N 3.22Å; F151-L153 VanDerWaalsContact C-N 3.33Å; F151-L153 PolarHBondContact O-N 3.1Å; F151-D154 PolarHBondContact O-N 2.8Å; F151-E155 WeakPolarHBondContact O-CB 3.26Å; F151-E155 PolarHBondContact O-N 2.98Å
152I55.4Low53.2Low72 Ų7289.6 Ų89.637%0.36951%0.505SS..Hα-helixtrans-62.2-42176.5-67.5163.7000111M23 I148 F149 Q150 A156M23-I152 HydrophobicContact CE-CD1 3.91Å; I148-I152 HydrophobicContact CG2-CD1 3.98Å; I148-I152 WeakPolarHBondContact O-CD1 3.38Å; I148-I152 VanDerWaalsContact O-CG1 3.27Å; I148-I152 WeakPolarHBondContact O-CG1 3.41Å; I148-I152 PolarHBondContact O-N 3.13Å; F149-I152 PolarHBondContact O-N 3.47Å; Q150-I152 VanDerWaalsContact C-N 3.34Å; Q150-I152 PolarHBondContact O-N 3.24Å; I152-A156 WeakPolarHBondContact O-CB 3.24Å; I152-A156 PolarHBondContact O-N 3.36Å
153L56.4Low53.1Low18 Ų1887.9 Ų87.99%0.09451%0.511CS..Hα-helixtrans-65.1-48.3178.7-73.1169.1000112.2F149 Q150 F151 A156 G157 M158 V160F149-L153 HydrophobicContact CD1-CD1 3.56Å; F149-L153 HydrophobicContact CD1-CG 4.34Å; F149-L153 HydrophobicContact CE1-CD1 3.42Å; F149-L153 VanDerWaalsContact CE1-CD1 3.42Å; F149-L153 HydrophobicContact CE1-CG 4.19Å; F149-L153 HydrophobicContact CG-CD1 4.45Å; F149-L153 HydrophobicContact CZ-CD1 4.2Å; F149-L153 VanDerWaalsContact O-CG 3.31Å; F149-L153 WeakPolarHBondContact O-CG 3.21Å; F149-L153 PolarHBondContact O-N 3.34Å; Q150-L153 WeakPolarHBondContact O-CB 3.48Å; Q150-L153 PolarHBondContact O-N 2.93Å; F151-L153 VanDerWaalsContact C-N 3.33Å; F151-L153 PolarHBondContact O-N 3.1Å; L153-A156 PolarHBondContact O-N 3.18Å; L153-G157 PolarHBondContact O-N 2.83Å; L153-G157 VanDerWaalsContact O-N 3.16Å; L153-M158 WeakPolarHBondContact CB-O 3.32Å; L153-M158 HydrophobicContact CD2-CB 4.07Å; L153-M158 PolarHBondContact O-N 2.94Å; L153-V160 HydrophobicContact CD1-CG2 3.33Å; L153-V160 HydrophobicContact CD2-CG2 3.87Å; L153-V160 HydrophobicContact CG-CG2 4.22Å
154D62.9Low52.5Low110 Ų11091.3 Ų91.359%0.58854%0.536SS*.Hα-helixtrans-63.7-43.5-179.4-69.8-6.3000110.9Q150 F151 G157Q150-D154 PolarHBondContact NE2-OD1 3.37Å; Q150-D154 VanDerWaalsContact NE2-OD1 3.14Å; Q150-D154 WeakPolarHBondContact O-CB 3.17Å; Q150-D154 VanDerWaalsContact O-CG 3.25Å; Q150-D154 PolarHBondContact O-N 3.44Å; F151-D154 PolarHBondContact O-N 2.8Å; D154-G157 PolarHBondContact O-N 3.35Å
155E60.7Low51.9Low88 Ų8892 Ų9241%0.41155%0.554SS.*Hα-helixtrans-69.5-36.7178.9-169.971.3-161.400112.2F15 F151 G157F15-E155 HydrophobicContact CE2-CG 3.39Å; F15-E155 HydrophobicContact CZ-CG 3.6Å; F151-E155 WeakPolarHBondContact O-CB 3.26Å; F151-E155 PolarHBondContact O-N 2.98Å; E155-G157 PolarHBondContact O-N 3.21Å
156A54.3Low51.8Low49 Ų4990.9 Ų90.941%0.40556%0.559SS.*THydrogen-bonded Turntrans-75.3-3.4174.800000113.3I152 L153 M158I152-A156 WeakPolarHBondContact O-CB 3.24Å; I152-A156 PolarHBondContact O-N 3.36Å; L153-A156 PolarHBondContact O-N 3.18Å; A156-M158 HydrophobicContact CB-CB 4.35Å; A156-M158 HydrophobicContact CB-CG 3.86Å; A156-M158 HydrophobicContact CB-SD 4.07Å; A156-M158 PolarHBondContact O-N 2.86Å
157G48.5Very low51.5Low69 Ų6991.7 Ų91.771%0.71157%0.568SS**THydrogen-bonded Turntrans62.220.7-172.700000113.3L153 D154 E155L153-G157 PolarHBondContact O-N 2.83Å; L153-G157 VanDerWaalsContact O-N 3.16Å; D154-G157 PolarHBondContact O-N 3.35Å; E155-G157 PolarHBondContact O-N 3.21Å
158M45Very low51.3Low122 Ų12296.2 Ų96.260%0.60159%0.585SS**  trans-95.6101.6-178.7-66-177.476.700108.7L153 A156L153-M158 WeakPolarHBondContact CB-O 3.32Å; L153-M158 HydrophobicContact CD2-CB 4.07Å; L153-M158 PolarHBondContact O-N 2.94Å; A156-M158 HydrophobicContact CB-CB 4.35Å; A156-M158 HydrophobicContact CB-CG 3.86Å; A156-M158 HydrophobicContact CB-SD 4.07Å; A156-M158 PolarHBondContact O-N 2.86Å
159S48.1Very low51.2Low91 Ų9198 Ų9864%0.63660%0.604SS**  trans-73.6135.2165.863.30000109.3E161S159-E161 PolarHBondContact O-N 3.11Å
160V44.9Very low51.2Low100 Ų100100.4 Ų100.461%0.60662%0.617SS**  trans-71.779.1167176.40000107.5L153 A162L153-V160 HydrophobicContact CD1-CG2 3.33Å; L153-V160 HydrophobicContact CD2-CG2 3.87Å; L153-V160 HydrophobicContact CG-CG2 4.22Å; V160-A162 PolarHBondContact O-N 3.47Å
161E47.5Very low50.5Low159 Ų159105.3 Ų105.374%0.74364%0.637SS**  trans-74.5106.2163.3-79.5-75.6143.500107S159 S163S159-E161 PolarHBondContact O-N 3.11Å; E161-S163 VanDerWaalsContact C-N 3.29Å; E161-S163 PolarHBondContact O-N 3.44Å
162A38.5Very low49.7Very low90 Ų90110.8 Ų110.874%0.74466%0.664SS**  trans-62.188.5173.800000109.8V160 S164V160-A162 PolarHBondContact O-N 3.47Å; A162-S164 VanDerWaalsContact C-N 3.27Å; A162-S164 PolarHBondContact O-N 2.9Å
163S41.3Very low49Very low122 Ų122112.8 Ų112.885%0.85368%0.684SS**  trans-78.382.6165.155.60000109E161E161-S163 VanDerWaalsContact C-N 3.29Å; E161-S163 PolarHBondContact O-N 3.44Å
164S37Very low48.4Very low112 Ų112119.5 Ų119.578%0.78372%0.72SS**  trans-83.8109.4160.2790000108.4A162A162-S164 VanDerWaalsContact C-N 3.27Å; A162-S164 PolarHBondContact O-N 2.9Å
165A45.8Very low47.3Very low103 Ų103118.8 Ų118.885%0.85172%0.724SS**  trans177.7121.7147.800000111.2
166G50.6Low46.5Very low67 Ų67123.9 Ų123.969%0.69175%0.747SS**  trans101.8105.913400000117.5
167D50.8Low45.7Very low168 Ų168127.3 Ų127.390%0.89876%0.763SS**  trans61.8143.4136.7-67.3-10.8000118.7
168D56.4Low45.2Very low147 Ų147132.3 Ų132.379%0.78677%0.768SS**  cis-175.6156-5.3178.816.7000103.1
169A54.6Low44.8Very low66 Ų66134.3 Ų134.355%0.54578%0.778SS.*  trans23129.9166.200000119.4
170E53.2Low44.1Very low179 Ų179135 Ų13584%0.83678%0.778SS**  -162.6147.876.1-80-66.4158.600110.2
171K47.3Very low44.1Very low194 Ų194136.3 Ų136.384%0.84378%0.778SS**  trans-70.4143.1176.4-68170.8175.3168.70110.6
172E43.8Very low43.6Very low201 Ų201138.3 Ų138.394%0.93978%0.784SS**  -158.6128.8124.8-107.9177.3-164.900109.9
173S41.6Very low43.7Very low113 Ų113138.1 Ų138.179%0.7977%0.77SS**  trans-91.8128-178.61400000107.9
174D44.6Very low44.2Very low160 Ų160135.7 Ų135.786%0.85675%0.747SS**  trans-129.3115.9154.2-146.8-1.2000109.2E176D174-E176 PolarHBondContact O-N 3.38Å
175S37.8Very low44.6Very low95 Ų95138.9 Ų138.966%0.66475%0.75SS**  trans-81.798.4-175.255.90000109.5T177S175-T177 PolarHBondContact O-N 3.4Å; S175-T177 VanDerWaalsContact O-N 3.14Å
176E43.9Very low44.8Very low194 Ų194141.1 Ų141.191%0.90774%0.743SS**  trans-68.2106.8161.2-81.6-170.2138.900108.6D174 E178D174-E176 PolarHBondContact O-N 3.38Å; E176-E178 PolarHBondContact O-N 3.5Å
177T37.7Very low44.6Very low121 Ų121141.6 Ų141.674%0.74273%0.727SS**  trans-57.8105.7172.843.80000110.5S175 M179S175-T177 PolarHBondContact O-N 3.4Å; S175-T177 VanDerWaalsContact O-N 3.14Å; T177-M179 PolarHBondContact O-N 3.11Å
178E39.6Very low44.4Very low174 Ų174136.4 Ų136.481%0.81370%0.701SS**  trans-64.793.6172.5-161.9-172.7168.400109.9E176 V180E176-E178 PolarHBondContact O-N 3.5Å; E178-V180 HydrophobicContact CG-CG2 3.65Å; E178-V180 PolarHBondContact O-N 2.86Å; E178-V180 WeakPolarHBondContact OE1-CG2 3.16Å
179M35.1Very low44.2Very low165 Ų165130.8 Ų130.881%0.81368%0.678SS**  trans-74.179.3168.3-70.4-162.1-70.100109.6T177 Q181T177-M179 PolarHBondContact O-N 3.11Å; M179-Q181 PolarHBondContact O-N 3.43Å
180V33.6Very low43.9Very low104 Ų104131.3 Ų131.363%0.6368%0.677SS**  trans-71.384.3167-173.30000108.4E178 K182E178-V180 HydrophobicContact CG-CG2 3.65Å; E178-V180 PolarHBondContact O-N 2.86Å; E178-V180 WeakPolarHBondContact OE1-CG2 3.16Å; V180-K182 PolarHBondContact O-N 3.35Å
181Q45.3Very low43.7Very low129 Ų129125.9 Ų125.960%0.60365%0.652SS**  trans-70.2112.3165.4-76.1-169.4-9.900108.4M179 L183M179-Q181 PolarHBondContact O-N 3.43Å; Q181-L183 PolarHBondContact O-N 3.27Å
182K37.6Very low43.7Very low201 Ų201121 Ų12187%0.87464%0.635SS**  trans-59.6103169.7-112.3177.4175.7178.90108.6V180 N184V180-K182 PolarHBondContact O-N 3.35Å; K182-N184 PolarHBondContact O-N 3.37Å
183L40.8Very low44Very low86 Ų86115.5 Ų115.545%0.4562%0.615SS.*  trans-58.2125.3167.1-76.7163.3000108.3Q181 H187 V188 M191Q181-L183 PolarHBondContact O-N 3.27Å; L183-H187 HydrophobicContact CD2-CB 4Å; L183-V188 HydrophobicContact CB-CG2 4.1Å; L183-M191 HydrophobicContact CD1-CE 4.04Å; L183-M191 HydrophobicContact CD2-CE 4.44Å
184N50.2Low44.4Very low71 Ų71114 Ų11438%0.3860%0.596SS.*  trans-74.6160.6171.978.49.6000109.8K182 E186 H187 V188K182-N184 PolarHBondContact O-N 3.37Å; N184-E186 PolarHBondContact O-N 3.42Å; N184-E186 PolarHBondContact OD1-N 3.39Å; N184-H187 VanDerWaalsContact CG-ND1 3.33Å; N184-H187 PolarHBondContact O-N 2.87Å; N184-H187 WeakPolarHBondContact OD1-CB 2.88Å; N184-H187 PolarHBondContact OD1-N 2.86Å; N184-H187 PolarHBondContact OD1-ND1 2.79Å; N184-V188 PolarHBondContact O-N 2.9Å
185E46.4Very low44.4Very low179 Ų179112 Ų11284%0.83658%0.584SS**Hα-helixtrans-60.9-30.4-176.8-155169.8-163.400112.5V188 G189E185-V188 PolarHBondContact O-N 3.02Å; E185-G189 PolarHBondContact O-N 3.31Å
186E49.8Very low44.7Very low150 Ų150114.3 Ų114.370%0.70158%0.582SS**Hα-helixtrans-69-40.6177.1-165.6174.3-165.900112.4N184 G189 C190N184-E186 PolarHBondContact O-N 3.42Å; N184-E186 PolarHBondContact OD1-N 3.39Å; E186-G189 PolarHBondContact O-N 3.14Å; E186-C190 PolarHBondContact O-N 3.31Å
187H46.8Very low44.8Very low77 Ų77108.3 Ų108.336%0.35656%0.561SS.*Hα-helixtrans-65.1-41.5174.9-71.9133.2000111.1L183 N184 G189 C190 M191L183-H187 HydrophobicContact CD2-CB 4Å; N184-H187 VanDerWaalsContact CG-ND1 3.33Å; N184-H187 PolarHBondContact O-N 2.87Å; N184-H187 WeakPolarHBondContact OD1-CB 2.88Å; N184-H187 PolarHBondContact OD1-N 2.86Å; N184-H187 PolarHBondContact OD1-ND1 2.79Å; H187-G189 VanDerWaalsContact C-N 3.35Å; H187-C190 PolarHBondContact O-N 3.14Å; H187-M191 WeakPolarHBondContact O-CG 3.21Å; H187-M191 PolarHBondContact O-N 3.11Å
188V45.5Very low45Very low58 Ų58109.3 Ų109.335%0.35256%0.555SS.*Hα-helixtrans-63.4-42.8173.8177.20000110.5L183 N184 E185 M191 L192L183-V188 HydrophobicContact CB-CG2 4.1Å; N184-V188 PolarHBondContact O-N 2.9Å; E185-V188 PolarHBondContact O-N 3.02Å; V188-M191 HydrophobicContact CG2-CE 4.34Å; V188-M191 PolarHBondContact O-N 3.14Å; V188-L192 HydrophobicContact CG1-CD1 3.96Å; V188-L192 WeakPolarHBondContact O-CB 3.17Å; V188-L192 PolarHBondContact O-N 3.36Å
189G53.1Low45Very low30 Ų30104.2 Ų104.231%0.30954%0.543SS..Hα-helixtrans-61.8-41.7175.300000113.3E185 E186 H187 L192 T193E185-G189 PolarHBondContact O-N 3.31Å; E186-G189 PolarHBondContact O-N 3.14Å; H187-G189 VanDerWaalsContact C-N 3.35Å; G189-L192 PolarHBondContact O-N 2.84Å; G189-T193 WeakPolarHBondContact O-CB 3.38Å; G189-T193 PolarHBondContact O-N 2.92Å; G189-T193 PolarHBondContact O-OG1 2.87Å
190C47.9Very low44.8Very low77 Ų77102.9 Ų102.952%0.5256%0.559SS.*Hα-helixtrans-63.9-45.7174.8-90.20000111.9E186 H187 L192 T193 Q194E186-C190 PolarHBondContact O-N 3.31Å; H187-C190 PolarHBondContact O-N 3.14Å; C190-L192 PolarHBondContact O-N 3.12Å; C190-T193 PolarHBondContact O-N 3.29Å; C190-Q194 WeakPolarHBondContact O-CG 3.35Å; C190-Q194 PolarHBondContact O-N 2.87Å
191M48.6Very low45.4Very low65 Ų65102.9 Ų102.932%0.3256%0.555SS.*Hα-helixtrans-62.4-42.3176.4-70.4-171-55.100112L183 H187 V188 T193 Q194 L195L183-M191 HydrophobicContact CD1-CE 4.04Å; L183-M191 HydrophobicContact CD2-CE 4.44Å; H187-M191 WeakPolarHBondContact O-CG 3.21Å; H187-M191 PolarHBondContact O-N 3.11Å; V188-M191 HydrophobicContact CG2-CE 4.34Å; V188-M191 PolarHBondContact O-N 3.14Å; M191-T193 VanDerWaalsContact C-N 3.32Å; M191-T193 PolarHBondContact O-N 2.94Å; M191-Q194 PolarHBondContact O-N 3.27Å; M191-L195 WeakPolarHBondContact O-CB 3.35Å; M191-L195 PolarHBondContact O-N 2.96Å
192L47.2Very low45.4Very low92 Ų92101.5 Ų101.548%0.48255%0.552SS.*Hα-helixtrans-61.9-39.2174.8-105.9145.7000112.1V188 G189 C190 K196V188-L192 HydrophobicContact CG1-CD1 3.96Å; V188-L192 WeakPolarHBondContact O-CB 3.17Å; V188-L192 PolarHBondContact O-N 3.36Å; G189-L192 PolarHBondContact O-N 2.84Å; C190-L192 PolarHBondContact O-N 3.12Å; L192-K196 WeakPolarHBondContact O-CB 3.42Å; L192-K196 WeakPolarHBondContact O-CG 3.21Å; L192-K196 PolarHBondContact O-N 2.92Å
193T50.2Low45.8Very low84 Ų8495.9 Ų95.952%0.51554%0.535SS..Hα-helixtrans-68.1-40.6176.8-48.90000110.8G189 C190 M191 K196 C197G189-T193 WeakPolarHBondContact O-CB 3.38Å; G189-T193 PolarHBondContact O-N 2.92Å; G189-T193 PolarHBondContact O-OG1 2.87Å; C190-T193 PolarHBondContact O-N 3.29Å; M191-T193 VanDerWaalsContact C-N 3.32Å; M191-T193 PolarHBondContact O-N 2.94Å; T193-K196 WeakPolarHBondContact O-CB 3.14Å; T193-K196 PolarHBondContact O-N 3.41Å; T193-C197 PolarHBondContact O-N 2.76Å; T193-C197 PolarHBondContact O-SG 2.91Å; T193-C197 VanDerWaalsContact O-SG 3.34Å
194Q50.6Low46.1Very low82 Ų8296.5 Ų96.538%0.38354%0.54SS..Hα-helixtrans-63.6-43.9174.5-75.1178.9-17.600112.3C190 M191 K196 C197 F198C190-Q194 WeakPolarHBondContact O-CG 3.35Å; C190-Q194 PolarHBondContact O-N 2.87Å; M191-Q194 PolarHBondContact O-N 3.27Å; Q194-K196 VanDerWaalsContact C-N 3.33Å; Q194-K196 PolarHBondContact O-N 2.98Å; Q194-C197 WeakPolarHBondContact O-CB 3.3Å; Q194-C197 PolarHBondContact O-N 2.91Å; Q194-C197 VanDerWaalsContact O-N 3.1Å; Q194-F198 WeakPolarHBondContact O-CD2 3.5Å; Q194-F198 PolarHBondContact O-N 3.01Å
195L44.8Very low45.9Very low119 Ų11998.1 Ų98.162%0.62355%0.55SS*.Hα-helixtrans-59.3-42.5173-91.2149.3000111.6M191 C197 F198 A199M191-L195 WeakPolarHBondContact O-CB 3.35Å; M191-L195 PolarHBondContact O-N 2.96Å; L195-C197 VanDerWaalsContact C-N 3.26Å; L195-C197 PolarHBondContact O-N 3.28Å; L195-F198 PolarHBondContact O-N 3.11Å; L195-A199 PolarHBondContact O-N 3.44Å
196K43.9Very low45.9Very low142 Ų14292.7 Ų92.762%0.61753%0.53SS*.Hα-helixtrans-62-30.8173.8-77.4176.7179-178.40113.2L192 T193 Q194 F198 A199L192-K196 WeakPolarHBondContact O-CB 3.42Å; L192-K196 WeakPolarHBondContact O-CG 3.21Å; L192-K196 PolarHBondContact O-N 2.92Å; T193-K196 WeakPolarHBondContact O-CB 3.14Å; T193-K196 PolarHBondContact O-N 3.41Å; Q194-K196 VanDerWaalsContact C-N 3.33Å; Q194-K196 PolarHBondContact O-N 2.98Å; K196-F198 VanDerWaalsContact C-N 3.3Å; K196-A199 PolarHBondContact O-N 3.49Å
197C45.7Very low45.6Very low68 Ų6888.6 Ų88.646%0.45952%0.518SS..Hα-helixtrans-76.2-13.1174.2-66.80000114.1T193 Q194 L195T193-C197 PolarHBondContact O-N 2.76Å; T193-C197 PolarHBondContact O-SG 2.91Å; T193-C197 VanDerWaalsContact O-SG 3.34Å; Q194-C197 WeakPolarHBondContact O-CB 3.3Å; Q194-C197 PolarHBondContact O-N 2.91Å; Q194-C197 VanDerWaalsContact O-N 3.1Å; L195-C197 VanDerWaalsContact C-N 3.26Å; L195-C197 PolarHBondContact O-N 3.28Å
198F42.8Very low45.5Very low142 Ų14289.5 Ų89.562%0.62353%0.531SS*.Hα-helixtrans-89.7-19.6171.2-76.6-74.2000112.8Q194 L195 K196Q194-F198 WeakPolarHBondContact O-CD2 3.5Å; Q194-F198 PolarHBondContact O-N 3.01Å; L195-F198 PolarHBondContact O-N 3.11Å; K196-F198 VanDerWaalsContact C-N 3.3Å
199A38.1Very low45.5Very low68 Ų6892.2 Ų92.256%0.56255%0.546SS*.  trans-102.517.1-176.900000114L195 K196L195-A199 PolarHBondContact O-N 3.44Å; K196-A199 PolarHBondContact O-N 3.49Å
200A32.8Very low44.8Very low137 Ų13797.8 Ų97.8100%1.13257%0.567SS**  trans-142.20177.400000110.9

Retrieved 200 of 200 residues in 92.4 ms (Link to these results)