A0A077Z9V5_TRITR Loading...

5'-deoxynucleotidase HDDC2

Catalyzes the dephosphorylation of the nucleoside 5'-monophosphates deoxyadenosine monophosphate (dAMP), deoxycytidine monophosphate (dCMP), deoxyguanosine monophosphate (dGMP) and deoxythymidine monophosphate (dTMP).

AlphaFold DB , UniProt , Accession A0A077Z9V5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 209 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
1M66.4Low92.2Very high171 Ų17183.4 Ų83.484%0.84245%0.454SS*.  0-51.30-157.6174-146.100111D3 N4 V5 V104M1-D3 PolarHBondContact O-N 3.48Å; M1-N4 PolarHBondContact O-N 2.68Å; M1-V5 PolarHBondContact O-N 3.47Å; M1-V104 HydrophobicContact CE-CG1 3.76Å
2C83Confident92.7Very high97 Ų9781.8 Ų81.866%0.65544%0.444SS*.Hα-helixtrans-56.1-48.1174.1-61.80000112.5N4 V5 L6C2-N4 VanDerWaalsContact C-N 3.3Å; C2-N4 PolarHBondContact O-N 3.33Å; C2-V5 PolarHBondContact O-N 2.93Å; C2-L6 WeakPolarHBondContact O-CG 3.48Å; C2-L6 PolarHBondContact O-N 3.05Å
3D91.2Very high93.1Very high114 Ų11478.4 Ų78.461%0.6143%0.434SS*.Hα-helixtrans-61-36.6-178.9-54.3-24.4000113.3M1 L6 T7M1-D3 PolarHBondContact O-N 3.48Å; D3-L6 PolarHBondContact O-N 3.29Å; D3-T7 WeakPolarHBondContact O-CB 3.44Å; D3-T7 PolarHBondContact O-N 2.86Å; D3-T7 PolarHBondContact O-OG1 2.82Å
4N94.1Very high93.5Very high70 Ų7081.1 Ų81.137%0.37444%0.435SS..Hα-helixtrans-64.1-43.7174.8-68.930.8000111M1 C2 L6 T7 F8 F102M1-N4 PolarHBondContact O-N 2.68Å; C2-N4 VanDerWaalsContact C-N 3.3Å; C2-N4 PolarHBondContact O-N 3.33Å; N4-L6 VanDerWaalsContact C-N 3.33Å; N4-L6 PolarHBondContact O-N 3.23Å; N4-T7 PolarHBondContact O-N 3.42Å; N4-F8 WeakPolarHBondContact O-CB 3.4Å; N4-F8 PolarHBondContact O-N 3.47Å; N4-F102 HydrophobicContact CB-CB 4.4Å
5V94.9Very high93.9Very high82 Ų8275.9 Ų75.950%0.49741%0.406SS..Hα-helixtrans-63.6-41.3176.7175.60000110.6M1 C2 F8 C9M1-V5 PolarHBondContact O-N 3.47Å; C2-V5 PolarHBondContact O-N 2.93Å; V5-F8 PolarHBondContact O-N 3.14Å; V5-C9 WeakPolarHBondContact O-CB 3.41Å; V5-C9 PolarHBondContact O-N 3.28Å; V5-C9 PolarHBondContact O-SG 3.07Å
6L96.5Very high94.2Very high108 Ų10879.6 Ų79.657%0.56542%0.418SS*.Hα-helixtrans-63.1-43.5176.2-64179.7000111.6C2 D3 N4 F8 C9 E10C2-L6 WeakPolarHBondContact O-CG 3.48Å; C2-L6 PolarHBondContact O-N 3.05Å; D3-L6 PolarHBondContact O-N 3.29Å; N4-L6 VanDerWaalsContact C-N 3.33Å; N4-L6 PolarHBondContact O-N 3.23Å; L6-F8 PolarHBondContact O-N 3.35Å; L6-C9 VanDerWaalsContact O-CB 3.31Å; L6-C9 WeakPolarHBondContact O-CB 3.41Å; L6-C9 PolarHBondContact O-N 3.32Å; L6-C9 VanDerWaalsContact O-N 3.16Å; L6-E10 PolarHBondContact O-N 2.83Å
7T97.2Very high94.4Very high36 Ų3683.6 Ų83.622%0.22143%0.433CS..Hα-helixtrans-65.1-39.9175.9-50.20000111.4D3 N4 C9 E10 F11 F102D3-T7 WeakPolarHBondContact O-CB 3.44Å; D3-T7 PolarHBondContact O-N 2.86Å; D3-T7 PolarHBondContact O-OG1 2.82Å; N4-T7 PolarHBondContact O-N 3.42Å; T7-C9 VanDerWaalsContact C-N 3.32Å; T7-C9 PolarHBondContact O-N 3.48Å; T7-E10 WeakPolarHBondContact O-CB 3.5Å; T7-E10 PolarHBondContact O-N 3.41Å; T7-E10 VanDerWaalsContact O-N 3.13Å; T7-F11 HydrophobicContact CG2-CE2 4.14Å; T7-F11 WeakPolarHBondContact O-CD2 3.39Å; T7-F11 PolarHBondContact O-N 3.32Å; T7-F102 HydrophobicContact CG2-CD1 3.68Å; T7-F102 HydrophobicContact CG2-CD2 4.16Å; T7-F102 HydrophobicContact CG2-CE1 3.58Å; T7-F102 HydrophobicContact CG2-CE2 4.06Å; T7-F102 HydrophobicContact CG2-CG 3.97Å; T7-F102 HydrophobicContact CG2-CZ 3.77Å
8F97.2Very high94.7Very high51 Ų5181.1 Ų81.122%0.22442%0.421CS..Hα-helixtrans-62.8-39.8173-174-109.9000111.7N4 V5 L6 E10 F11 L12 L69 I99 F102 V103N4-F8 WeakPolarHBondContact O-CB 3.4Å; N4-F8 PolarHBondContact O-N 3.47Å; V5-F8 PolarHBondContact O-N 3.14Å; L6-F8 PolarHBondContact O-N 3.35Å; F8-E10 VanDerWaalsContact C-N 3.25Å; F8-E10 PolarHBondContact O-N 3.22Å; F8-F11 PolarHBondContact O-N 3.2Å; F8-L12 HydrophobicContact CD1-CD1 3.97Å; F8-L12 HydrophobicContact CD1-CG 4.3Å; F8-L12 HydrophobicContact CE1-CD1 3.62Å; F8-L12 HydrophobicContact CE1-CD2 4.25Å; F8-L12 HydrophobicContact CE1-CG 4Å; F8-L12 HydrophobicContact CZ-CD1 4.31Å; F8-L12 HydrophobicContact CZ-CD2 4.1Å; F8-L12 HydrophobicContact CZ-CG 4.28Å; F8-L12 PolarHBondContact O-N 3.16Å; F8-L12 VanDerWaalsContact O-N 3.11Å; F8-L69 HydrophobicContact CE2-CD2 4.33Å; F8-I99 HydrophobicContact CD2-CG2 3.93Å; F8-I99 HydrophobicContact CE2-CG2 3.64Å; F8-F102 HydrophobicContact CB-CB 4.27Å; F8-V103 HydrophobicContact CD2-CG2 3.87Å; F8-V103 HydrophobicContact CE2-CG2 3.68Å; F8-V103 HydrophobicContact CZ-CG2 4.28Å
9C97.1Very high94.9Very high63 Ų6379.4 Ų79.443%0.42642%0.415SS..Hα-helixtrans-60.4-33.5172.8-72.80000112.6V5 L6 T7 L12 A13V5-C9 WeakPolarHBondContact O-CB 3.41Å; V5-C9 PolarHBondContact O-N 3.28Å; V5-C9 PolarHBondContact O-SG 3.07Å; L6-C9 VanDerWaalsContact O-CB 3.31Å; L6-C9 WeakPolarHBondContact O-CB 3.41Å; L6-C9 PolarHBondContact O-N 3.32Å; L6-C9 VanDerWaalsContact O-N 3.16Å; T7-C9 VanDerWaalsContact C-N 3.32Å; T7-C9 PolarHBondContact O-N 3.48Å; C9-L12 PolarHBondContact O-N 3.05Å; C9-A13 VanDerWaalsContact O-CB 3.26Å; C9-A13 WeakPolarHBondContact O-CB 3.44Å; C9-A13 PolarHBondContact O-N 2.83Å
10E98.1Very high95.1Very high110 Ų11077 Ų7751%0.51440%0.4SS..Hα-helixtrans-64.2-41.3174.9-66.8171.9-177.200111.9L6 T7 F8 A13 R14L6-E10 PolarHBondContact O-N 2.83Å; T7-E10 WeakPolarHBondContact O-CB 3.5Å; T7-E10 PolarHBondContact O-N 3.41Å; T7-E10 VanDerWaalsContact O-N 3.13Å; F8-E10 VanDerWaalsContact C-N 3.25Å; F8-E10 PolarHBondContact O-N 3.22Å; E10-A13 PolarHBondContact O-N 2.91Å; E10-R14 WeakPolarHBondContact O-CG 3.35Å; E10-R14 PolarHBondContact O-N 3.49Å; E10-R14 VanDerWaalsContact O-N 3.12Å
11F98.4Very high95.2Very high15 Ų1574.8 Ų74.87%0.06639%0.39CS..Hα-helixtrans-62.3-46.2173.4-67.3-62.3000111.7T7 F8 A13 R14 L15 S72 I73 I99 F102T7-F11 HydrophobicContact CG2-CE2 4.14Å; T7-F11 WeakPolarHBondContact O-CD2 3.39Å; T7-F11 PolarHBondContact O-N 3.32Å; F8-F11 PolarHBondContact O-N 3.2Å; F11-A13 VanDerWaalsContact C-N 3.3Å; F11-A13 PolarHBondContact O-N 3.48Å; F11-R14 WeakPolarHBondContact O-CB 3.47Å; F11-R14 PolarHBondContact O-N 3.16Å; F11-L15 PolarHBondContact O-N 3.49Å; F11-S72 VanDerWaalsContact O-CB 3.24Å; F11-S72 WeakPolarHBondContact O-CB 3.43Å; F11-I73 HydrophobicContact CD1-CD1 4.23Å; F11-I73 HydrophobicContact CD1-CG1 3.89Å; F11-I73 HydrophobicContact CE1-CD1 3.63Å; F11-I73 HydrophobicContact CE1-CG1 3.61Å; F11-I73 HydrophobicContact CZ-CD1 4.22Å; F11-I99 HydrophobicContact CD1-CG1 4.12Å; F11-I99 HydrophobicContact CD2-CG1 4.17Å; F11-I99 HydrophobicContact CD2-CG2 4.38Å; F11-I99 HydrophobicContact CE1-CG1 4.32Å; F11-I99 HydrophobicContact CE2-CG1 4.36Å; F11-I99 HydrophobicContact CG-CG1 4.06Å; F11-I99 HydrophobicContact CZ-CG1 4.43Å; F11-F102 AromaticContact CE2-CD2 3.64Å; F11-F102 HydrophobicContact CE2-CD2 3.64Å; F11-F102 AromaticContact CE2-CE2 3.79Å; F11-F102 HydrophobicContact CE2-CE2 3.79Å; F11-F102 HydrophobicContact CZ-CD2 4.46Å; F11-F102 HydrophobicContact CZ-CE2 4.19Å
12L98.3Very high96.7Very high64 Ų6467.3 Ų67.334%0.33536%0.357SS..Hα-helixtrans-63.2-36.6176.3-62.5-177000112.4F8 C9 R14 L15 K16 L69F8-L12 HydrophobicContact CD1-CD1 3.97Å; F8-L12 HydrophobicContact CD1-CG 4.3Å; F8-L12 HydrophobicContact CE1-CD1 3.62Å; F8-L12 HydrophobicContact CE1-CD2 4.25Å; F8-L12 HydrophobicContact CE1-CG 4Å; F8-L12 HydrophobicContact CZ-CD1 4.31Å; F8-L12 HydrophobicContact CZ-CD2 4.1Å; F8-L12 HydrophobicContact CZ-CG 4.28Å; F8-L12 PolarHBondContact O-N 3.16Å; F8-L12 VanDerWaalsContact O-N 3.11Å; C9-L12 PolarHBondContact O-N 3.05Å; L12-R14 VanDerWaalsContact C-N 3.3Å; L12-R14 PolarHBondContact O-N 3.29Å; L12-L15 PolarHBondContact O-N 3.07Å; L12-K16 PolarHBondContact O-N 3.46Å; L12-L69 HydrophobicContact CD2-CD1 3.74Å
13A98.5Very high97.4Very high38 Ų3863 Ų6331%0.31433%0.327SS..Hα-helixtrans-63.5-37.1177.400000111.6C9 E10 F11 L15 K16 H17C9-A13 VanDerWaalsContact O-CB 3.26Å; C9-A13 WeakPolarHBondContact O-CB 3.44Å; C9-A13 PolarHBondContact O-N 2.83Å; E10-A13 PolarHBondContact O-N 2.91Å; F11-A13 VanDerWaalsContact C-N 3.3Å; F11-A13 PolarHBondContact O-N 3.48Å; A13-L15 VanDerWaalsContact C-N 3.31Å; A13-L15 PolarHBondContact O-N 3.35Å; A13-K16 WeakPolarHBondContact O-CB 3.22Å; A13-K16 PolarHBondContact O-N 3.28Å; A13-H17 PolarHBondContact O-CD2 3.43Å; A13-H17 PolarHBondContact O-N 2.95Å
14R98.7Very high97.8Very high117 Ų11760.7 Ų60.744%0.44232%0.317SS..Hα-helixtrans-59.5-42.8173.8-66170-165176.94.9111.4E10 F11 L12 K16 H17 L18 S72E10-R14 WeakPolarHBondContact O-CG 3.35Å; E10-R14 PolarHBondContact O-N 3.49Å; E10-R14 VanDerWaalsContact O-N 3.12Å; F11-R14 WeakPolarHBondContact O-CB 3.47Å; F11-R14 PolarHBondContact O-N 3.16Å; L12-R14 VanDerWaalsContact C-N 3.3Å; L12-R14 PolarHBondContact O-N 3.29Å; R14-K16 VanDerWaalsContact C-N 3.3Å; R14-K16 PolarHBondContact O-N 2.95Å; R14-H17 CarbonylContact O-C 3.44Å; R14-H17 PolarHBondContact O-N 3.19Å; R14-L18 VanDerWaalsContact O-CB 3.27Å; R14-L18 WeakPolarHBondContact O-CB 3.25Å; R14-L18 PolarHBondContact O-N 3.46Å; R14-S72 WeakPolarHBondContact CD-O 3.44Å; R14-S72 PolarHBondContact NH1-O 3.04Å
15L98.8Very high97.9Very high2 Ų261.3 Ų61.31%0.0132%0.32CS..Hα-helixtrans-66.1-30.1177.5-60.4175.4000113.4F11 L12 A13 H17 L18 T33 V34 A35 M38 L69 E71 S72F11-L15 PolarHBondContact O-N 3.49Å; L12-L15 PolarHBondContact O-N 3.07Å; A13-L15 VanDerWaalsContact C-N 3.31Å; A13-L15 PolarHBondContact O-N 3.35Å; L15-H17 PolarHBondContact O-N 3.39Å; L15-L18 HydrophobicContact CD2-CD2 4.3Å; L15-T33 WeakPolarHBondContact O-CB 3.45Å; L15-V34 HydrophobicContact CD2-CB 4.14Å; L15-V34 HydrophobicContact CD2-CG1 3.91Å; L15-A35 HydrophobicContact CB-CB 4.13Å; L15-A35 WeakPolarHBondContact O-CB 3.46Å; L15-A35 PolarHBondContact O-N 3.24Å; L15-A35 VanDerWaalsContact O-N 3.17Å; L15-M38 HydrophobicContact CD1-CE 3.74Å; L15-L69 HydrophobicContact CD1-CD1 3.8Å; L15-E71 HydrophobicContact CD2-CB 4.03Å; L15-S72 VanDerWaalsContact CD2-N 3.35Å
16K98.5Very high98Very high135 Ų13559.9 Ų59.959%0.58731%0.31SS*.THydrogen-bonded Turntrans-68.1-15.1172.9-67.7-179.7-179.5-179.20113.6L12 A13 R14 T33 A35L12-K16 PolarHBondContact O-N 3.46Å; A13-K16 WeakPolarHBondContact O-CB 3.22Å; A13-K16 PolarHBondContact O-N 3.28Å; R14-K16 VanDerWaalsContact C-N 3.3Å; R14-K16 PolarHBondContact O-N 2.95Å; K16-T33 WeakPolarHBondContact O-CG2 3.3Å; K16-A35 HydrophobicContact CG-CB 4.24Å
17H98.4Very high98.1Very high148 Ų14861.5 Ų61.569%0.68532%0.319SS*.THydrogen-bonded Turntrans-125.8-0.6-175.5-60.5-53.2000113A13 R14 L15 P19A13-H17 PolarHBondContact O-CD2 3.43Å; A13-H17 PolarHBondContact O-N 2.95Å; R14-H17 CarbonylContact O-C 3.44Å; R14-H17 PolarHBondContact O-N 3.19Å; L15-H17 PolarHBondContact O-N 3.39Å; H17-P19 WeakPolarHBondContact O-CD 3.43Å
18L98.6Very high98.1Very high39 Ų3960.2 Ų60.220%0.20431%0.311CS..  trans-87.8105.7176.3178.860.4000108.7R14 L15 T33 V34 E71R14-L18 VanDerWaalsContact O-CB 3.27Å; R14-L18 WeakPolarHBondContact O-CB 3.25Å; R14-L18 PolarHBondContact O-N 3.46Å; L15-L18 HydrophobicContact CD2-CD2 4.3Å; L18-T33 CarbonylContact O-C 3.54Å; L18-T33 WeakPolarHBondContact O-CA 3.29Å; L18-T33 WeakPolarHBondContact O-CB 3.16Å; L18-V34 HydrophobicContact CB-CG2 4.24Å; L18-V34 HydrophobicContact CD2-CG2 3.77Å; L18-V34 HydrophobicContact CG-CG2 3.82Å; L18-V34 PolarHBondContact O-N 3.46Å; L18-E71 HydrophobicContact CD2-CB 3.92Å; L18-E71 WeakPolarHBondContact CD2-O 3.31Å
19P98.6Very high98.1Very high49 Ų4966.8 Ų66.832%0.31834%0.335SS..BIsolated β-bridgetrans-67.6143.7174.429.9-35.3000110.3H17 T21 V24 P31 E32H17-P19 WeakPolarHBondContact O-CD 3.43Å; P19-T21 PolarHBondContact O-N 2.98Å; P19-T21 VanDerWaalsContact O-N 3.14Å; P19-V24 HydrophobicContact CB-CG2 3.8Å; P19-V24 HydrophobicContact CG-CG2 3.87Å; P19-P31 HydrophobicContact CB-CB 4.22Å; P19-P31 HydrophobicContact CB-CG 3.67Å; P19-E32 WeakPolarHBondContact CA-O 3.49Å
20R98.7Very high98.1Very high30 Ų3069.4 Ų69.411%0.11334%0.344CS..  trans-63.5115.6172.9-76.5-79.9-74-174.5-19109.6G22 W23 V24 E32 V34 D68 E71 D76R20-G22 PolarHBondContact O-N 3.03Å; R20-W23 HydrophobicContact CB-CG 4.41Å; R20-W23 WeakPolarHBondContact O-CB 3.39Å; R20-W23 PolarHBondContact O-N 3.49Å; R20-V24 PolarHBondContact O-N 3.12Å; R20-E32 HydrophobicContact CB-CG 4.37Å; R20-E32 HydrophobicContact CG-CG 4.1Å; R20-E32 PolarHBondContact N-O 3.46Å; R20-V34 HydrophobicContact CG-CG2 4.23Å; R20-D68 IonicContact NH1-OD2 3.75Å; R20-E71 IonicContact NH1-OE1 3.68Å; R20-D76 VanDerWaalsContact C-OD2 3.31Å; R20-D76 WeakPolarHBondContact CA-OD2 3.14Å; R20-D76 WeakPolarHBondContact CD-OD2 3.35Å; R20-D76 IonicContact NE-OD2 2.82Å; R20-D76 IonicContact NH1-OD1 2.89Å; R20-D76 PolarHBondContact NH1-OD1 2.95Å; R20-D76 IonicContact NH1-OD2 3.87Å
21T98.3Very high98.1Very high32 Ų3265.7 Ų65.720%0.19633%0.33CS..Hα-helixtrans-58.3-33-171.9-630000111.8P19 W23 V24 N25 D76 T78P19-T21 PolarHBondContact O-N 2.98Å; P19-T21 VanDerWaalsContact O-N 3.14Å; T21-W23 VanDerWaalsContact C-N 3.26Å; T21-W23 PolarHBondContact O-N 3.02Å; T21-V24 PolarHBondContact O-N 3.19Å; T21-N25 WeakPolarHBondContact O-CB 3Å; T21-N25 PolarHBondContact O-N 2.99Å; T21-N25 PolarHBondContact O-ND2 2.72Å; T21-D76 VanDerWaalsContact CB-O 3.29Å; T21-D76 WeakPolarHBondContact CB-O 3.34Å; T21-D76 PolarHBondContact N-OD2 3.14Å; T21-D76 PolarHBondContact OG1-O 3.31Å; T21-T78 VanDerWaalsContact CB-CG2 3.5Å; T21-T78 HydrophobicContact CG2-CG2 3.55Å
22G97.7Very high98.1Very high14 Ų1466.2 Ų66.214%0.14433%0.333CS..Hα-helixtrans-56.1-41.1175.400000112.7R20 N26R20-G22 PolarHBondContact O-N 3.03Å; G22-N26 PolarHBondContact O-N 3.19Å; G22-N26 PolarHBondContact O-ND2 3.16Å
23W98.3Very high98.2Very high5 Ų565 Ų652%0.01933%0.328CS..Hα-helixtrans-75-39.8178.8-58140.9000112.5R20 T21 N25 N26 N27 V28 P31 E32 M137 Q140 A141 Y144 L154 F157R20-W23 HydrophobicContact CB-CG 4.41Å; R20-W23 WeakPolarHBondContact O-CB 3.39Å; R20-W23 PolarHBondContact O-N 3.49Å; T21-W23 VanDerWaalsContact C-N 3.26Å; T21-W23 PolarHBondContact O-N 3.02Å; W23-N25 VanDerWaalsContact C-N 3.32Å; W23-N25 PolarHBondContact O-N 3.32Å; W23-N26 CarbonylContact O-C 3.39Å; W23-N26 PolarHBondContact O-N 3.33Å; W23-N26 VanDerWaalsContact O-N 3.09Å; W23-N27 PolarHBondContact O-N 3.13Å; W23-V28 HydrophobicContact CB-CB 3.91Å; W23-V28 HydrophobicContact CB-CG1 4.46Å; W23-V28 HydrophobicContact CB-CG2 3.67Å; W23-V28 HydrophobicContact CD2-CG2 4.42Å; W23-V28 HydrophobicContact CE3-CG2 4.15Å; W23-V28 HydrophobicContact CG-CG2 4.25Å; W23-V28 WeakPolarHBondContact O-CB 3.24Å; W23-V28 PolarHBondContact O-N 3.11Å; W23-V28 VanDerWaalsContact O-N 3.08Å; W23-P31 HydrophobicContact CB-CB 3.57Å; W23-P31 HydrophobicContact CG-CB 4.41Å; W23-E32 PolarHBondContact NE1-OE1 3.24Å; W23-M137 HydrophobicContact CH2-CG 4Å; W23-M137 WeakPolarHBondContact CH2-O 3.37Å; W23-M137 HydrophobicContact CZ2-CG 3.92Å; W23-Q140 HydrophobicContact CH2-CB 4.48Å; W23-Q140 HydrophobicContact CZ2-CB 3.8Å; W23-Q140 HydrophobicContact CZ2-CG 3.85Å; W23-A141 HydrophobicContact CH2-CB 3.8Å; W23-A141 HydrophobicContact CZ3-CB 4.1Å; W23-Y144 HydrophobicContact CB-CE2 4.4Å; W23-Y144 AromaticContact CD1-CE2 3.7Å; W23-Y144 AromaticContact CD2-CD2 3.95Å; W23-Y144 HydrophobicContact CD2-CD2 3.95Å; W23-Y144 AromaticContact CD2-CE2 3.65Å; W23-Y144 HydrophobicContact CD2-CE2 3.65Å; W23-Y144 AromaticContact CE2-CE2 3.78Å; W23-Y144 HydrophobicContact CE3-CD2 4.03Å; W23-Y144 HydrophobicContact CE3-CE2 4.23Å; W23-Y144 HydrophobicContact CG-CD2 4.35Å; W23-Y144 AromaticContact CG-CE2 3.68Å; W23-Y144 HydrophobicContact CG-CE2 3.68Å; W23-Y144 HydrophobicContact CZ2-CE2 4.48Å; W23-Y144 HydrophobicContact CZ3-CD2 4.44Å; W23-Y144 AromaticContact NE1-CE2 3.76Å; W23-L154 HydrophobicContact CE3-CD1 4.3Å; W23-L154 HydrophobicContact CZ3-CD1 4.03Å; W23-F157 HydrophobicContact CE3-CE1 4.31Å; W23-F157 HydrophobicContact CE3-CE2 4.17Å; W23-F157 AromaticContact CE3-CZ 3.96Å; W23-F157 HydrophobicContact CE3-CZ 3.96Å; W23-F157 AromaticContact CH2-CD1 3.78Å; W23-F157 HydrophobicContact CH2-CD1 3.78Å; W23-F157 HydrophobicContact CH2-CD2 4.35Å; W23-F157 AromaticContact CH2-CE1 3.94Å; W23-F157 HydrophobicContact CH2-CE1 3.94Å; W23-F157 AromaticContact CH2-CG 3.99Å; W23-F157 HydrophobicContact CH2-CG 3.99Å; W23-F157 HydrophobicContact CH2-CZ 4.3Å; W23-F157 AromaticContact CZ3-CD1 3.85Å; W23-F157 HydrophobicContact CZ3-CD1 3.85Å; W23-F157 AromaticContact CZ3-CD2 3.75Å; W23-F157 HydrophobicContact CZ3-CD2 3.75Å; W23-F157 AromaticContact CZ3-CE1 3.72Å; W23-F157 HydrophobicContact CZ3-CE1 3.72Å; W23-F157 AromaticContact CZ3-CE2 3.63Å; W23-F157 HydrophobicContact CZ3-CE2 3.63Å; W23-F157 AromaticContact CZ3-CG 3.86Å; W23-F157 HydrophobicContact CZ3-CG 3.86Å; W23-F157 AromaticContact CZ3-CZ 3.61Å; W23-F157 HydrophobicContact CZ3-CZ 3.61Å
24V98.1Very high98.2Very high66 Ų6663.2 Ų63.240%0.431%0.313SS..Hα-helixtrans-57.3-47.6173.7178.60000110.4P19 R20 T21 N26 N27 P31P19-V24 HydrophobicContact CB-CG2 3.8Å; P19-V24 HydrophobicContact CG-CG2 3.87Å; R20-V24 PolarHBondContact O-N 3.12Å; T21-V24 PolarHBondContact O-N 3.19Å; V24-N26 PolarHBondContact O-N 3.34Å; V24-N26 VanDerWaalsContact O-N 3.16Å; V24-N27 PolarHBondContact O-N 2.79Å; V24-P31 HydrophobicContact CG2-CB 4.49Å; V24-P31 HydrophobicContact CG2-CG 4Å
25N97.2Very high98.2Very high84 Ų8458.9 Ų58.945%0.44930%0.302SS..Hα-helixtrans-64.3-19.7179.1-70.3-13.7000113.5T21 W23T21-N25 WeakPolarHBondContact O-CB 3Å; T21-N25 PolarHBondContact O-N 2.99Å; T21-N25 PolarHBondContact O-ND2 2.72Å; W23-N25 VanDerWaalsContact C-N 3.32Å; W23-N25 PolarHBondContact O-N 3.32Å
26N97.3Very high98.2Very high52 Ų5260.1 Ų60.128%0.27832%0.315SS..THydrogen-bonded Turntrans-107.122.6177.3-71.5-86.2000112.6G22 W23 V24 V28 R150 L154 F157G22-N26 PolarHBondContact O-N 3.19Å; G22-N26 PolarHBondContact O-ND2 3.16Å; W23-N26 CarbonylContact O-C 3.39Å; W23-N26 PolarHBondContact O-N 3.33Å; W23-N26 VanDerWaalsContact O-N 3.09Å; V24-N26 PolarHBondContact O-N 3.34Å; V24-N26 VanDerWaalsContact O-N 3.16Å; N26-V28 PolarHBondContact O-N 3.46Å; N26-R150 PolarHBondContact O-NH1 2.93Å; N26-L154 HydrophobicContact CB-CD2 3.54Å; N26-F157 WeakPolarHBondContact ND2-CE2 3.26Å; N26-F157 WeakPolarHBondContact ND2-CZ 3.39Å
27N97.5Very high98.2Very high142 Ų14253.7 Ų53.776%0.75929%0.287SS*.THydrogen-bonded Turntrans52.730.5174.6-53.8-64.6000114.2W23 V24 R29W23-N27 PolarHBondContact O-N 3.13Å; V24-N27 PolarHBondContact O-N 2.79Å; N27-R29 PolarHBondContact O-N 3.37Å
28V98.2Very high98.2Very high9 Ų947.2 Ų47.26%0.05526%0.257CS..  trans-58131.7167.4173.10000107.7W23 N26 P31 Y144W23-V28 HydrophobicContact CB-CB 3.91Å; W23-V28 HydrophobicContact CB-CG1 4.46Å; W23-V28 HydrophobicContact CB-CG2 3.67Å; W23-V28 HydrophobicContact CD2-CG2 4.42Å; W23-V28 HydrophobicContact CE3-CG2 4.15Å; W23-V28 HydrophobicContact CG-CG2 4.25Å; W23-V28 WeakPolarHBondContact O-CB 3.24Å; W23-V28 PolarHBondContact O-N 3.11Å; W23-V28 VanDerWaalsContact O-N 3.08Å; N26-V28 PolarHBondContact O-N 3.46Å; V28-P31 HydrophobicContact CB-CB 4.37Å; V28-P31 HydrophobicContact CG1-CB 4.16Å; V28-Y144 HydrophobicContact CG1-CD1 3.56Å; V28-Y144 HydrophobicContact CG1-CD2 4.1Å; V28-Y144 HydrophobicContact CG1-CE1 3.49Å; V28-Y144 VanDerWaalsContact CG1-CE1 3.49Å; V28-Y144 HydrophobicContact CG1-CE2 3.98Å; V28-Y144 HydrophobicContact CG1-CG 3.93Å; V28-Y144 HydrophobicContact CG2-CD1 4.49Å; V28-Y144 HydrophobicContact CG2-CD2 3.82Å; V28-Y144 HydrophobicContact CG2-CE2 4.16Å; V28-Y144 HydrophobicContact CG2-CG 4.02Å
29R97Very high98.2Very high189 Ų18952.4 Ų52.471%0.71328%0.275SS*.SBendtrans-68.1-46.2-172.2-179.3179.859.6-178.1-4.8112.4N27 E148N27-R29 PolarHBondContact O-N 3.37Å; R29-E148 WeakPolarHBondContact CB-OE1 3.36Å; R29-E148 PolarHBondContact N-OE1 2.83Å
30N97.1Very high98.2Very high118 Ų11852.5 Ų52.563%0.63127%0.269SS*.SBendtrans-128.475.6-179.9-68.8-31.7000108.9
31P98.5Very high98.2Very high32 Ų3251.1 Ų51.121%0.20826%0.264CS..PPolyproline II helixtrans-63.6146.1-178.428.2-34.8000110.5P19 W23 V24 V28P19-P31 HydrophobicContact CB-CB 4.22Å; P19-P31 HydrophobicContact CB-CG 3.67Å; W23-P31 HydrophobicContact CB-CB 3.57Å; W23-P31 HydrophobicContact CG-CB 4.41Å; V24-P31 HydrophobicContact CG2-CB 4.49Å; V24-P31 HydrophobicContact CG2-CG 4Å; V28-P31 HydrophobicContact CB-CB 4.37Å; V28-P31 HydrophobicContact CG1-CB 4.16Å
32E98.7Very high98.3Very high26 Ų2650 Ų5012%0.12126%0.258CS..PPolyproline II helixtrans-62.3162.2171.970.6-178.5160.200109.6P19 R20 W23 R40 Q140 Y144P19-E32 WeakPolarHBondContact CA-O 3.49Å; R20-E32 HydrophobicContact CB-CG 4.37Å; R20-E32 HydrophobicContact CG-CG 4.1Å; R20-E32 PolarHBondContact N-O 3.46Å; W23-E32 PolarHBondContact NE1-OE1 3.24Å; E32-R40 IonicContact OE2-NH2 2.66Å; E32-Q140 PolarHBondContact OE2-OE1 2.93Å; E32-Y144 WeakPolarHBondContact CB-OH 3.27Å; E32-Y144 PolarHBondContact N-OH 3.32Å
33T98.9Very high98.3Very high39 Ų3953.4 Ų53.424%0.23927%0.271CS..BIsolated β-bridgetrans-98.2159.6174.4620000110.5L15 K16 L18 A35 G36 H37L15-T33 WeakPolarHBondContact O-CB 3.45Å; K16-T33 WeakPolarHBondContact O-CG2 3.3Å; L18-T33 CarbonylContact O-C 3.54Å; L18-T33 WeakPolarHBondContact O-CA 3.29Å; L18-T33 WeakPolarHBondContact O-CB 3.16Å; T33-A35 PolarHBondContact O-N 3.07Å; T33-G36 WeakPolarHBondContact O-CA 3.43Å; T33-G36 PolarHBondContact O-N 3.13Å; T33-G36 PolarHBondContact OG1-N 2.98Å; T33-H37 PolarHBondContact O-N 3.23Å
34V98.8Very high98.3Very high0 Ų054.6 Ų54.60%028%0.278CS..Hα-helixtrans-55.7-38.2176.1179.30000111.1L15 L18 R20 G36 H37 M38 D68 E71 D76L15-V34 HydrophobicContact CD2-CB 4.14Å; L15-V34 HydrophobicContact CD2-CG1 3.91Å; L18-V34 HydrophobicContact CB-CG2 4.24Å; L18-V34 HydrophobicContact CD2-CG2 3.77Å; L18-V34 HydrophobicContact CG-CG2 3.82Å; L18-V34 PolarHBondContact O-N 3.46Å; R20-V34 HydrophobicContact CG-CG2 4.23Å; V34-G36 VanDerWaalsContact C-N 3.33Å; V34-G36 PolarHBondContact O-N 3.22Å; V34-H37 PolarHBondContact O-N 2.76Å; V34-M38 HydrophobicContact CG1-CE 4.33Å; V34-M38 PolarHBondContact O-N 2.9Å; V34-D68 HydrophobicContact CG1-CB 3.66Å; V34-E71 VanDerWaalsContact CG1-OE2 3.25Å; V34-E71 WeakPolarHBondContact CG1-OE2 3.2Å; V34-E71 WeakPolarHBondContact CG2-OE2 3.38Å; V34-D76 HydrophobicContact CG2-CB 4.3Å
35A98.7Very high98.4Very high26 Ų2651.5 Ų51.522%0.21526%0.259CS..Hα-helixtrans-64.2-35173.500000113.3L15 K16 T33 Y39L15-A35 HydrophobicContact CB-CB 4.13Å; L15-A35 WeakPolarHBondContact O-CB 3.46Å; L15-A35 PolarHBondContact O-N 3.24Å; L15-A35 VanDerWaalsContact O-N 3.17Å; K16-A35 HydrophobicContact CG-CB 4.24Å; T33-A35 PolarHBondContact O-N 3.07Å; A35-Y39 WeakPolarHBondContact O-CB 3.45Å; A35-Y39 PolarHBondContact O-N 3.01Å
36G98.7Very high98.4Very high27 Ų2754.2 Ų54.228%0.27827%0.267SS..Hα-helixtrans-65.6-44.3175.800000112.4T33 V34 Y39 R40T33-G36 WeakPolarHBondContact O-CA 3.43Å; T33-G36 PolarHBondContact O-N 3.13Å; T33-G36 PolarHBondContact OG1-N 2.98Å; V34-G36 VanDerWaalsContact C-N 3.33Å; V34-G36 PolarHBondContact O-N 3.22Å; G36-Y39 WeakPolarHBondContact O-CB 3.4Å; G36-Y39 PolarHBondContact O-N 3.08Å; G36-R40 PolarHBondContact O-N 2.83Å
37H98.8Very high98.5Very high0 Ų055.9 Ų55.90%028%0.282CS..Hα-helixtrans-57.9-55174171.259.5000111.7T33 V34 Y39 R40 M41 H67 D68 D133 D136T33-H37 PolarHBondContact O-N 3.23Å; V34-H37 PolarHBondContact O-N 2.76Å; H37-Y39 VanDerWaalsContact C-N 3.26Å; H37-Y39 PolarHBondContact O-N 3.49Å; H37-R40 PolarHBondContact O-N 3.45Å; H37-M41 PolarHBondContact CE1-SD 3.29Å; H37-M41 PolarHBondContact NE2-SD 2.84Å; H37-M41 WeakPolarHBondContact O-CG 3.5Å; H37-M41 PolarHBondContact O-N 3Å; H37-H67 AromaticContact NE2-NE2 3.95Å; H37-D68 IonicContact CD2-OD2 3.15Å; H37-D68 IonicContact NE2-OD2 3.82Å; H37-D133 IonicContact CE1-OD1 3.01Å; H37-D133 PolarHBondContact CE1-OD1 2.89Å; H37-D133 IonicContact NE2-OD1 3.55Å; H37-D133 PolarHBondContact NE2-OD1 3.48Å; H37-D133 VanDerWaalsContact NE2-OD1 3.09Å; H37-D136 IonicContact CE1-OD2 3.76Å; H37-D136 IonicContact CG-OD2 2.58Å; H37-D136 IonicContact ND1-OD2 2.88Å; H37-D136 PolarHBondContact ND1-OD2 2.92Å
38M98.8Very high98.5Very high12 Ų1249.7 Ų49.76%0.05925%0.249CC..Hα-helixtrans-60-34.9177.8-70.3-164.1-68.800112.9L15 V34 A42 D68L15-M38 HydrophobicContact CD1-CE 3.74Å; V34-M38 HydrophobicContact CG1-CE 4.33Å; V34-M38 PolarHBondContact O-N 2.9Å; M38-A42 WeakPolarHBondContact O-CB 3.31Å; M38-A42 PolarHBondContact O-N 3.04Å; M38-D68 HydrophobicContact CG-CB 4.25Å; M38-D68 HydrophobicContact SD-CB 3.88Å
39Y98.9Very high98.5Very high148 Ų14853.5 Ų53.558%0.5827%0.269SS*.Hα-helixtrans-62.7-51.4175.2167.9-98.7000111.4A35 G36 H37 M41 A42 M43A35-Y39 WeakPolarHBondContact O-CB 3.45Å; A35-Y39 PolarHBondContact O-N 3.01Å; G36-Y39 WeakPolarHBondContact O-CB 3.4Å; G36-Y39 PolarHBondContact O-N 3.08Å; H37-Y39 VanDerWaalsContact C-N 3.26Å; H37-Y39 PolarHBondContact O-N 3.49Å; Y39-M41 VanDerWaalsContact C-N 3.32Å; Y39-M41 PolarHBondContact O-N 3.05Å; Y39-A42 PolarHBondContact O-N 3.06Å; Y39-M43 HydrophobicContact CD1-CG 4.41Å; Y39-M43 HydrophobicContact CD2-CG 4.19Å; Y39-M43 HydrophobicContact CE1-CG 3.93Å; Y39-M43 HydrophobicContact CE2-CG 3.68Å; Y39-M43 HydrophobicContact CE2-SD 4.04Å; Y39-M43 WeakPolarHBondContact O-CG 3.39Å; Y39-M43 PolarHBondContact O-N 3.31Å
40R98.8Very high98.5Very high52 Ų5246.5 Ų46.520%0.19625%0.247CC..Hα-helixtrans-65.9-37.2-178.4-171.7169.665.4-158.7-23.7111E32 G36 H37 A42 M43 L44 D136 Q140 E143E32-R40 IonicContact OE2-NH2 2.66Å; G36-R40 PolarHBondContact O-N 2.83Å; H37-R40 PolarHBondContact O-N 3.45Å; R40-A42 PolarHBondContact O-N 3.24Å; R40-M43 CarbonylContact O-C 3.59Å; R40-M43 PolarHBondContact O-N 2.95Å; R40-L44 HydrophobicContact CG-CD1 4.45Å; R40-L44 HydrophobicContact CG-CG 4.4Å; R40-L44 VanDerWaalsContact O-CG 3.28Å; R40-L44 WeakPolarHBondContact O-CG 3.3Å; R40-L44 PolarHBondContact O-N 2.92Å; R40-D136 VanDerWaalsContact CB-OD1 3.26Å; R40-D136 WeakPolarHBondContact CB-OD1 3.34Å; R40-D136 VanDerWaalsContact CG-OD1 3.25Å; R40-D136 WeakPolarHBondContact CG-OD1 3.25Å; R40-D136 IonicContact CZ-OD1 2.75Å; R40-D136 IonicContact CZ-OD2 3.34Å; R40-D136 IonicContact NE-OD1 2.91Å; R40-D136 PolarHBondContact NE-OD1 2.85Å; R40-D136 IonicContact NE-OD2 3.33Å; R40-D136 VanDerWaalsContact NH2-CG 3.32Å; R40-D136 PolarHBondContact NH2-O 3.21Å; R40-D136 IonicContact NH2-OD1 3.98Å; R40-D136 PolarHBondContact NH2-OD1 3.3Å; R40-D136 IonicContact NH2-OD2 2.9Å; R40-D136 PolarHBondContact NH2-OD2 3.24Å; R40-Q140 VanDerWaalsContact CZ-OE1 3.26Å; R40-E143 IonicContact NH1-OE1 2.82Å; R40-E143 PolarHBondContact NH1-OE1 3.04Å; R40-E143 IonicContact NH1-OE2 2.72Å; R40-E143 PolarHBondContact NH1-OE2 2.93Å
41M98.7Very high98.5Very high0 Ų050.1 Ų50.10%026%0.257CS..Hα-helixtrans-56.7-48.9170.7-71.5174.761.900113.3H37 Y39 M43 L44 M45 A64 H67 V129 D133 D136H37-M41 PolarHBondContact CE1-SD 3.29Å; H37-M41 PolarHBondContact NE2-SD 2.84Å; H37-M41 WeakPolarHBondContact O-CG 3.5Å; H37-M41 PolarHBondContact O-N 3Å; Y39-M41 VanDerWaalsContact C-N 3.32Å; Y39-M41 PolarHBondContact O-N 3.05Å; M41-M43 VanDerWaalsContact C-N 3.27Å; M41-M43 PolarHBondContact O-N 3.3Å; M41-L44 PolarHBondContact O-N 3.24Å; M41-M45 PolarHBondContact O-N 3.46Å; M41-A64 HydrophobicContact CB-CB 4.19Å; M41-A64 HydrophobicContact CE-CB 4.33Å; M41-H67 WeakPolarHBondContact CE-CE1 3.17Å; M41-H67 PolarHBondContact SD-CE1 2.99Å; M41-V129 HydrophobicContact CE-CG1 3.94Å; M41-D133 HydrophobicContact CE-CB 3.63Å; M41-D133 HydrophobicContact SD-CB 4.07Å; M41-D136 HydrophobicContact CG-CB 3.98Å
42A98.8Very high98.5Very high9 Ų953.7 Ų53.77%0.07427%0.27CS..Hα-helixtrans-62-37.5178.100000111.6M38 Y39 R40 M45 V61 A64 L65M38-A42 WeakPolarHBondContact O-CB 3.31Å; M38-A42 PolarHBondContact O-N 3.04Å; Y39-A42 PolarHBondContact O-N 3.06Å; R40-A42 PolarHBondContact O-N 3.24Å; A42-M45 WeakPolarHBondContact O-CB 3.47Å; A42-M45 PolarHBondContact O-N 3.34Å; A42-V61 HydrophobicContact CB-CG1 4.4Å; A42-A64 HydrophobicContact CB-CB 4.34Å; A42-L65 HydrophobicContact CB-CD2 3.93Å; A42-L65 HydrophobicContact CB-CG 4.1Å
43M98.8Very high98.4Very high86 Ų8653.9 Ų53.942%0.42427%0.271SS..Hα-helixtrans-69.1-37.9175.2-69-59.7-62.400112.7Y39 R40 M41 M45 F46Y39-M43 HydrophobicContact CD1-CG 4.41Å; Y39-M43 HydrophobicContact CD2-CG 4.19Å; Y39-M43 HydrophobicContact CE1-CG 3.93Å; Y39-M43 HydrophobicContact CE2-CG 3.68Å; Y39-M43 HydrophobicContact CE2-SD 4.04Å; Y39-M43 WeakPolarHBondContact O-CG 3.39Å; Y39-M43 PolarHBondContact O-N 3.31Å; R40-M43 CarbonylContact O-C 3.59Å; R40-M43 PolarHBondContact O-N 2.95Å; M41-M43 VanDerWaalsContact C-N 3.27Å; M41-M43 PolarHBondContact O-N 3.3Å; M43-M45 PolarHBondContact O-N 3.02Å; M43-F46 WeakPolarHBondContact O-CB 3.4Å; M43-F46 PolarHBondContact O-N 3.01Å; M43-F46 HydrophobicContact SD-CE2 4.46Å
44L98.7Very high98.3Very high29 Ų2954 Ų5415%0.15228%0.28CS..Hα-helixtrans-60.4-26.1176.7-76169.6000112.5R40 M41 F46 C47 L132 F135 W173R40-L44 HydrophobicContact CG-CD1 4.45Å; R40-L44 HydrophobicContact CG-CG 4.4Å; R40-L44 VanDerWaalsContact O-CG 3.28Å; R40-L44 WeakPolarHBondContact O-CG 3.3Å; R40-L44 PolarHBondContact O-N 2.92Å; M41-L44 PolarHBondContact O-N 3.24Å; L44-F46 PolarHBondContact O-N 2.88Å; L44-C47 WeakPolarHBondContact O-CB 3.28Å; L44-C47 PolarHBondContact O-N 3.13Å; L44-L132 HydrophobicContact CB-CD2 4.1Å; L44-F135 HydrophobicContact CD1-CD1 3.79Å; L44-F135 HydrophobicContact CD1-CE1 4.07Å; L44-F135 HydrophobicContact CD2-CE1 4.08Å; L44-W173 HydrophobicContact CD2-CZ3 4.38Å
45M98.7Very high98.3Very high2 Ų254.8 Ų54.81%0.0128%0.284CS..G310 helixtrans-60.7-27175.7-163.358.2-13600112.8M41 A42 M43 C47 V48 T50 V55 F57 C60 V61 L128 L132M41-M45 PolarHBondContact O-N 3.46Å; A42-M45 WeakPolarHBondContact O-CB 3.47Å; A42-M45 PolarHBondContact O-N 3.34Å; M43-M45 PolarHBondContact O-N 3.02Å; M45-C47 PolarHBondContact O-N 3.13Å; M45-V48 HydrophobicContact CE-CB 3.59Å; M45-V48 HydrophobicContact CE-CG1 3.74Å; M45-V48 HydrophobicContact CE-CG2 4.13Å; M45-V48 PolarHBondContact O-N 2.99Å; M45-V48 HydrophobicContact SD-CB 4.22Å; M45-V48 HydrophobicContact SD-CG2 4.11Å; M45-T50 HydrophobicContact CE-CG2 3.45Å; M45-T50 VanDerWaalsContact CE-CG2 3.45Å; M45-V55 HydrophobicContact CE-CG2 4.02Å; M45-F57 HydrophobicContact CB-CE2 4.1Å; M45-F57 HydrophobicContact CE-CD2 4.32Å; M45-F57 HydrophobicContact CG-CD2 3.77Å; M45-F57 HydrophobicContact CG-CE2 3.78Å; M45-C60 HydrophobicContact CE-CB 4.13Å; M45-C60 HydrophobicContact CG-CB 3.89Å; M45-C60 HydrophobicContact SD-CB 3.48Å; M45-C60 WeakPolarHBondContact SD-CB 3.44Å; M45-V61 HydrophobicContact CB-CG2 3.88Å; M45-V61 HydrophobicContact CG-CG2 3.86Å; M45-L128 HydrophobicContact CE-CD2 3.76Å; M45-L128 HydrophobicContact SD-CD2 3.83Å; M45-L132 HydrophobicContact SD-CD1 4.08Å
46F98.6Very high98.3Very high141 Ų14157.4 Ų57.462%0.61830%0.295SS*.G310 helixtrans-68.8-18.2173.8-73.9-96.4000113.4M43 L44 F57M43-F46 WeakPolarHBondContact O-CB 3.4Å; M43-F46 PolarHBondContact O-N 3.01Å; M43-F46 HydrophobicContact SD-CE2 4.46Å; L44-F46 PolarHBondContact O-N 2.88Å; F46-F57 HydrophobicContact CD1-CE2 4.3Å; F46-F57 AromaticContact CD1-CZ 3.97Å; F46-F57 HydrophobicContact CD1-CZ 3.97Å; F46-F57 HydrophobicContact CD2-CE2 4.25Å; F46-F57 AromaticContact CD2-CZ 3.88Å; F46-F57 HydrophobicContact CD2-CZ 3.88Å; F46-F57 HydrophobicContact CE1-CE1 4.5Å; F46-F57 AromaticContact CE1-CZ 3.76Å; F46-F57 HydrophobicContact CE1-CZ 3.76Å; F46-F57 HydrophobicContact CE2-CE2 4.48Å; F46-F57 AromaticContact CE2-CZ 3.67Å; F46-F57 HydrophobicContact CE2-CZ 3.67Å; F46-F57 HydrophobicContact CG-CE2 4.17Å; F46-F57 HydrophobicContact CG-CZ 4.04Å; F46-F57 HydrophobicContact CZ-CE1 4.28Å; F46-F57 AromaticContact CZ-CZ 3.62Å; F46-F57 HydrophobicContact CZ-CZ 3.62Å
47C98.4Very high98.3Very high87 Ų8758.8 Ų58.859%0.58829%0.293SS*.G310 helixtrans-89.6-4.3176-61.40000112.6L44 M45 W173L44-C47 WeakPolarHBondContact O-CB 3.28Å; L44-C47 PolarHBondContact O-N 3.13Å; M45-C47 PolarHBondContact O-N 3.13Å; C47-W173 HydrophobicContact CB-CH2 3.7Å; C47-W173 HydrophobicContact CB-CZ2 3.92Å; C47-W173 WeakPolarHBondContact O-CZ2 3.34Å
48V98.4Very high98.3Very high11 Ų1163.5 Ų63.57%0.06732%0.318CS..SBendtrans-92.2128.6-179.4179.30000110.6M45 T50 E53 L128 W173M45-V48 HydrophobicContact CE-CB 3.59Å; M45-V48 HydrophobicContact CE-CG1 3.74Å; M45-V48 HydrophobicContact CE-CG2 4.13Å; M45-V48 PolarHBondContact O-N 2.99Å; M45-V48 HydrophobicContact SD-CB 4.22Å; M45-V48 HydrophobicContact SD-CG2 4.11Å; V48-T50 PolarHBondContact O-N 3.19Å; V48-E53 HydrophobicContact CG1-CB 4.38Å; V48-E53 HydrophobicContact CG1-CG 3.69Å; V48-L128 HydrophobicContact CG1-CD2 3.95Å; V48-L128 HydrophobicContact CG2-CD1 4.46Å; V48-W173 HydrophobicContact CG2-CH2 3.73Å; V48-W173 HydrophobicContact CG2-CZ2 4.47Å; V48-W173 HydrophobicContact CG2-CZ3 4.47Å
49D98Very high98.2Very high89 Ų8965.3 Ų65.348%0.47633%0.327SS..  trans-74.194.4168-177.2-13.8000109.9K51 K52 E53D49-K51 PolarHBondContact O-N 3.1Å; D49-K51 WeakPolarHBondContact OD1-CB 3.34Å; D49-K51 PolarHBondContact OD1-N 3.04Å; D49-K51 VanDerWaalsContact OD1-N 3.11Å; D49-K52 HydrophobicContact CB-CB 3.91Å; D49-K52 VanDerWaalsContact CG-CB 3.47Å; D49-K52 PolarHBondContact O-N 3.37Å; D49-K52 VanDerWaalsContact O-N 3.16Å; D49-K52 PolarHBondContact OD1-N 2.83Å; D49-E53 PolarHBondContact O-N 2.98Å
50T97.7Very high98.2Very high42 Ų4258.3 Ų58.326%0.25830%0.299SS..Hα-helixtrans-66.8-24.2-176.456.80000113.8M45 V48 G54 V55 F57M45-T50 HydrophobicContact CE-CG2 3.45Å; M45-T50 VanDerWaalsContact CE-CG2 3.45Å; V48-T50 PolarHBondContact O-N 3.19Å; T50-G54 WeakPolarHBondContact O-CA 3.38Å; T50-G54 PolarHBondContact O-N 2.88Å; T50-V55 HydrophobicContact CG2-CG2 4.03Å; T50-V55 PolarHBondContact O-N 3.23Å; T50-F57 HydrophobicContact CG2-CB 3.99Å; T50-F57 HydrophobicContact CG2-CD2 4.19Å
51K97.1Very high98.2Very high194 Ų19457.1 Ų57.184%0.84330%0.298SS*.Hα-helixtrans-71.1-42.3173.7-66.9-178.4-179.8177.30110.4D49D49-K51 PolarHBondContact O-N 3.1Å; D49-K51 WeakPolarHBondContact OD1-CB 3.34Å; D49-K51 PolarHBondContact OD1-N 3.04Å; D49-K51 VanDerWaalsContact OD1-N 3.11Å
52K96.8Very high98.2Very high108 Ų10861.3 Ų61.347%0.4732%0.316SS..Hα-helixtrans-67.4-45.5177.4178173.7162.2-76.10112.2D49 G54 T169D49-K52 HydrophobicContact CB-CB 3.91Å; D49-K52 VanDerWaalsContact CG-CB 3.47Å; D49-K52 PolarHBondContact O-N 3.37Å; D49-K52 VanDerWaalsContact O-N 3.16Å; D49-K52 PolarHBondContact OD1-N 2.83Å; K52-G54 VanDerWaalsContact C-N 3.29Å; K52-T169 PolarHBondContact NZ-OG1 3.27Å
53E96.6Very high98.2Very high30 Ų3060.9 Ų60.914%0.1431%0.312CS..Hα-helixtrans-75.4-20.9179.1-61.7-54.1128.700112.4V48 D49 V55 T169V48-E53 HydrophobicContact CG1-CB 4.38Å; V48-E53 HydrophobicContact CG1-CG 3.69Å; D49-E53 PolarHBondContact O-N 2.98Å; E53-V55 HydrophobicContact CB-CG1 4.24Å; E53-V55 HydrophobicContact CB-CG2 4Å; E53-T169 WeakPolarHBondContact OE1-CB 3.41Å; E53-T169 PolarHBondContact OE1-OG1 2.54Å
54G97.4Very high98.2Very high41 Ų4156.9 Ų56.942%0.42329%0.293SS..THydrogen-bonded Turntrans65.548.7-179.500000112T50 K52T50-G54 WeakPolarHBondContact O-CA 3.38Å; T50-G54 PolarHBondContact O-N 2.88Å; K52-G54 VanDerWaalsContact C-N 3.29Å
55V98.3Very high98.2Very high16 Ų1659.8 Ų59.810%0.09731%0.308CS..  trans-126153.3-177.4-64.70000111.3M45 T50 E53 K124 E125 L128M45-V55 HydrophobicContact CE-CG2 4.02Å; T50-V55 HydrophobicContact CG2-CG2 4.03Å; T50-V55 PolarHBondContact O-N 3.23Å; E53-V55 HydrophobicContact CB-CG1 4.24Å; E53-V55 HydrophobicContact CB-CG2 4Å; V55-K124 HydrophobicContact CG1-CB 3.78Å; V55-E125 WeakPolarHBondContact CA-OE1 3.49Å; V55-E125 HydrophobicContact CB-CG 4.19Å; V55-E125 HydrophobicContact CG1-CG 4.44Å; V55-L128 HydrophobicContact CB-CD2 4.5Å; V55-L128 HydrophobicContact CG1-CD2 4.27Å; V55-L128 HydrophobicContact CG2-CD2 3.82Å
56D98.7Very high98.2Very high82 Ų8260.5 Ų60.544%0.43931%0.312SS..  trans-80.9117.6169.7-174.8-51.7000111.4N58 H59 C60 E125D56-N58 PolarHBondContact O-N 3.4Å; D56-N58 WeakPolarHBondContact OD1-CA 3.27Å; D56-N58 WeakPolarHBondContact OD1-CB 3.46Å; D56-N58 PolarHBondContact OD1-N 3.18Å; D56-H59 HydrophobicContact CB-CB 3.77Å; D56-H59 PolarHBondContact O-N 3.42Å; D56-H59 PolarHBondContact OD1-N 3.39Å; D56-C60 PolarHBondContact O-N 3.21Å; D56-C60 PolarHBondContact O-SG 3.46Å; D56-C60 VanDerWaalsContact O-SG 3.39Å; D56-E125 PolarHBondContact N-OE1 2.81Å; D56-E125 VanDerWaalsContact N-OE1 3.14Å
57F98.7Very high98.2Very high55 Ų5553.8 Ų53.824%0.24128%0.283CS..Hα-helixtrans-54.1-50.2178.3177.9-96000113.1M45 F46 T50 H59 C60 V61M45-F57 HydrophobicContact CB-CE2 4.1Å; M45-F57 HydrophobicContact CE-CD2 4.32Å; M45-F57 HydrophobicContact CG-CD2 3.77Å; M45-F57 HydrophobicContact CG-CE2 3.78Å; F46-F57 HydrophobicContact CD1-CE2 4.3Å; F46-F57 AromaticContact CD1-CZ 3.97Å; F46-F57 HydrophobicContact CD1-CZ 3.97Å; F46-F57 HydrophobicContact CD2-CE2 4.25Å; F46-F57 AromaticContact CD2-CZ 3.88Å; F46-F57 HydrophobicContact CD2-CZ 3.88Å; F46-F57 HydrophobicContact CE1-CE1 4.5Å; F46-F57 AromaticContact CE1-CZ 3.76Å; F46-F57 HydrophobicContact CE1-CZ 3.76Å; F46-F57 HydrophobicContact CE2-CE2 4.48Å; F46-F57 AromaticContact CE2-CZ 3.67Å; F46-F57 HydrophobicContact CE2-CZ 3.67Å; F46-F57 HydrophobicContact CG-CE2 4.17Å; F46-F57 HydrophobicContact CG-CZ 4.04Å; F46-F57 HydrophobicContact CZ-CE1 4.28Å; F46-F57 AromaticContact CZ-CZ 3.62Å; F46-F57 HydrophobicContact CZ-CZ 3.62Å; T50-F57 HydrophobicContact CG2-CB 3.99Å; T50-F57 HydrophobicContact CG2-CD2 4.19Å; F57-H59 VanDerWaalsContact C-N 3.31Å; F57-H59 PolarHBondContact O-N 3.17Å; F57-C60 PolarHBondContact O-N 3.42Å; F57-V61 HydrophobicContact CD1-CG2 4.24Å; F57-V61 HydrophobicContact CE1-CG2 3.74Å; F57-V61 HydrophobicContact CE2-CG2 4.06Å; F57-V61 HydrophobicContact CZ-CG2 3.63Å; F57-V61 WeakPolarHBondContact O-CG2 3.39Å; F57-V61 PolarHBondContact O-N 2.8Å
58N98.6Very high98.3Very high99 Ų9950.2 Ų50.253%0.52926%0.258SS..Hα-helixtrans-69.1-35.3-174.9-67.6-49.4000110.8D56 K62D56-N58 PolarHBondContact O-N 3.4Å; D56-N58 WeakPolarHBondContact OD1-CA 3.27Å; D56-N58 WeakPolarHBondContact OD1-CB 3.46Å; D56-N58 PolarHBondContact OD1-N 3.18Å; N58-K62 WeakPolarHBondContact O-CB 3.29Å; N58-K62 WeakPolarHBondContact O-CG 3.28Å; N58-K62 PolarHBondContact O-N 3.29Å
59H98.6Very high98.3Very high51 Ų5150 Ų5024%0.23626%0.257CS..Hα-helixtrans-64.4-46.9175.3-162.990.9000111.2D56 F57 K62 M63 E117 E125D56-H59 HydrophobicContact CB-CB 3.77Å; D56-H59 PolarHBondContact O-N 3.42Å; D56-H59 PolarHBondContact OD1-N 3.39Å; F57-H59 VanDerWaalsContact C-N 3.31Å; F57-H59 PolarHBondContact O-N 3.17Å; H59-K62 PolarHBondContact O-N 3.06Å; H59-M63 WeakPolarHBondContact O-CB 3.46Å; H59-M63 PolarHBondContact O-N 2.97Å; H59-E117 IonicContact CD2-OE1 3.36Å; H59-E117 IonicContact CD2-OE2 3.67Å; H59-E117 IonicContact CE1-OE2 3.41Å; H59-E117 PolarHBondContact CE1-OE2 3.03Å; H59-E117 VanDerWaalsContact CE1-OE2 3.3Å; H59-E117 IonicContact NE2-OE1 3.45Å; H59-E117 PolarHBondContact NE2-OE1 2.84Å; H59-E117 VanDerWaalsContact NE2-OE1 3.09Å; H59-E117 IonicContact NE2-OE2 3.09Å; H59-E117 PolarHBondContact NE2-OE2 3.41Å; H59-E125 HydrophobicContact CB-CG 4.39Å
60C98.8Very high98.3Very high1 Ų145.8 Ų45.81%0.00723%0.234CC..Hα-helixtrans-60.3-45.9175.4-69.10000112.7M45 D56 F57 K62 M63 A64 V129M45-C60 HydrophobicContact CE-CB 4.13Å; M45-C60 HydrophobicContact CG-CB 3.89Å; M45-C60 HydrophobicContact SD-CB 3.48Å; M45-C60 WeakPolarHBondContact SD-CB 3.44Å; D56-C60 PolarHBondContact O-N 3.21Å; D56-C60 PolarHBondContact O-SG 3.46Å; D56-C60 VanDerWaalsContact O-SG 3.39Å; F57-C60 PolarHBondContact O-N 3.42Å; C60-K62 PolarHBondContact O-N 3.17Å; C60-M63 PolarHBondContact O-N 3.21Å; C60-A64 WeakPolarHBondContact O-CB 3.34Å; C60-A64 PolarHBondContact O-N 3.24Å; C60-V129 HydrophobicContact CB-CG2 3.85Å
61V98.9Very high98.3Very high26 Ų2644 Ų4416%0.15822%0.223CC..Hα-helixtrans-61.8-45.2178.1169.60000111.1A42 M45 F57 M63 A64 L65A42-V61 HydrophobicContact CB-CG1 4.4Å; M45-V61 HydrophobicContact CB-CG2 3.88Å; M45-V61 HydrophobicContact CG-CG2 3.86Å; F57-V61 HydrophobicContact CD1-CG2 4.24Å; F57-V61 HydrophobicContact CE1-CG2 3.74Å; F57-V61 HydrophobicContact CE2-CG2 4.06Å; F57-V61 HydrophobicContact CZ-CG2 3.63Å; F57-V61 WeakPolarHBondContact O-CG2 3.39Å; F57-V61 PolarHBondContact O-N 2.8Å; V61-M63 VanDerWaalsContact C-N 3.31Å; V61-M63 PolarHBondContact O-N 3.18Å; V61-A64 PolarHBondContact O-N 3.25Å; V61-L65 HydrophobicContact CG1-CD1 3.96Å; V61-L65 VanDerWaalsContact O-CG 3.32Å; V61-L65 WeakPolarHBondContact O-CG 3.11Å; V61-L65 PolarHBondContact O-N 2.58Å; V61-L65 VanDerWaalsContact O-N 3.08Å
62K98.7Very high98.4Very high88 Ų8835 Ų3538%0.38318%0.184SC..Hα-helixtrans-62.3-40.5177.1-72.6171.4-177-176.80111.7N58 H59 C60 L65 V66 L114N58-K62 WeakPolarHBondContact O-CB 3.29Å; N58-K62 WeakPolarHBondContact O-CG 3.28Å; N58-K62 PolarHBondContact O-N 3.29Å; H59-K62 PolarHBondContact O-N 3.06Å; C60-K62 PolarHBondContact O-N 3.17Å; K62-L65 PolarHBondContact O-N 2.93Å; K62-V66 WeakPolarHBondContact O-CB 3.23Å; K62-V66 VanDerWaalsContact O-CG2 3.23Å; K62-V66 WeakPolarHBondContact O-CG2 3.39Å; K62-V66 PolarHBondContact O-N 3.38Å; K62-L114 HydrophobicContact CB-CD1 3.68Å; K62-L114 HydrophobicContact CB-CD2 4.31Å
63M98.8Very high98.5Very high1 Ų133.2 Ų33.21%0.00518%0.179CC..Hα-helixtrans-63.8-46.3177.1-169.4-177.8-64.900111.3H59 C60 V61 L65 V66 H67 L114 E117 F118 E125 A126 V129H59-M63 WeakPolarHBondContact O-CB 3.46Å; H59-M63 PolarHBondContact O-N 2.97Å; C60-M63 PolarHBondContact O-N 3.21Å; V61-M63 VanDerWaalsContact C-N 3.31Å; V61-M63 PolarHBondContact O-N 3.18Å; M63-L65 VanDerWaalsContact C-N 3.28Å; M63-L65 PolarHBondContact O-N 3.31Å; M63-V66 PolarHBondContact O-N 3.18Å; M63-H67 PolarHBondContact O-N 2.81Å; M63-L114 HydrophobicContact CB-CD2 4.05Å; M63-L114 HydrophobicContact CE-CD2 4.43Å; M63-E117 HydrophobicContact CE-CB 4.05Å; M63-E117 VanDerWaalsContact CE-CD 3.41Å; M63-E117 HydrophobicContact CE-CG 3.8Å; M63-E117 VanDerWaalsContact CE-OE1 3.32Å; M63-E117 WeakPolarHBondContact CE-OE1 3.48Å; M63-F118 HydrophobicContact CG-CB 3.88Å; M63-F118 HydrophobicContact CG-CD2 4.14Å; M63-F118 HydrophobicContact CG-CG 4.45Å; M63-F118 HydrophobicContact SD-CB 3.85Å; M63-F118 HydrophobicContact SD-CD2 4Å; M63-F118 HydrophobicContact SD-CG 4.44Å; M63-E125 HydrophobicContact CE-CB 4.21Å; M63-A126 HydrophobicContact CE-CB 4.21Å; M63-A126 HydrophobicContact SD-CB 3.99Å; M63-V129 HydrophobicContact CB-CG1 4.44Å; M63-V129 HydrophobicContact CB-CG2 4.27Å; M63-V129 HydrophobicContact CG-CB 4.47Å; M63-V129 HydrophobicContact CG-CG1 4.19Å; M63-V129 HydrophobicContact CG-CG2 4.47Å; M63-V129 HydrophobicContact SD-CB 3.96Å; M63-V129 HydrophobicContact SD-CG1 4.29Å; M63-V129 HydrophobicContact SD-CG2 4.05Å
64A98.9Very high98.6Very high2 Ų234 Ų342%0.01718%0.184CC..Hα-helixtrans-57.9-39.2176.900000112.5M41 A42 C60 V61 V66 H67 V129M41-A64 HydrophobicContact CB-CB 4.19Å; M41-A64 HydrophobicContact CE-CB 4.33Å; A42-A64 HydrophobicContact CB-CB 4.34Å; C60-A64 WeakPolarHBondContact O-CB 3.34Å; C60-A64 PolarHBondContact O-N 3.24Å; V61-A64 PolarHBondContact O-N 3.25Å; A64-V66 VanDerWaalsContact C-N 3.28Å; A64-V66 PolarHBondContact O-N 3.18Å; A64-H67 PolarHBondContact O-ND1 2.97Å; A64-V129 HydrophobicContact CB-CG1 4.12Å
65L98.7Very high98.6Very high90 Ų9033 Ų3347%0.47117%0.174SC..THydrogen-bonded Turntrans-75.1-12.2178.2-68.1171.2000114.6A42 V61 K62 M63A42-L65 HydrophobicContact CB-CD2 3.93Å; A42-L65 HydrophobicContact CB-CG 4.1Å; V61-L65 HydrophobicContact CG1-CD1 3.96Å; V61-L65 VanDerWaalsContact O-CG 3.32Å; V61-L65 WeakPolarHBondContact O-CG 3.11Å; V61-L65 PolarHBondContact O-N 2.58Å; V61-L65 VanDerWaalsContact O-N 3.08Å; K62-L65 PolarHBondContact O-N 2.93Å; M63-L65 VanDerWaalsContact C-N 3.28Å; M63-L65 PolarHBondContact O-N 3.31Å
66V98.5Very high98.6Very high16 Ų1632.9 Ų32.910%0.09717%0.173CC..THydrogen-bonded Turntrans-112.3-28.7-173.3167.10000112.7K62 M63 A64 D68 L69 M96 V111 L114 F115K62-V66 WeakPolarHBondContact O-CB 3.23Å; K62-V66 VanDerWaalsContact O-CG2 3.23Å; K62-V66 WeakPolarHBondContact O-CG2 3.39Å; K62-V66 PolarHBondContact O-N 3.38Å; M63-V66 PolarHBondContact O-N 3.18Å; A64-V66 VanDerWaalsContact C-N 3.28Å; A64-V66 PolarHBondContact O-N 3.18Å; V66-D68 VanDerWaalsContact C-N 3.34Å; V66-D68 PolarHBondContact O-N 3.28Å; V66-L69 WeakPolarHBondContact O-CB 3.48Å; V66-L69 PolarHBondContact O-N 3.02Å; V66-M96 HydrophobicContact CG1-CE 3.92Å; V66-V111 HydrophobicContact CG1-CG1 3.79Å; V66-V111 HydrophobicContact CG2-CG1 4.34Å; V66-L114 HydrophobicContact CG1-CB 4.24Å; V66-L114 HydrophobicContact CG2-CD1 4.4Å; V66-F115 HydrophobicContact CG1-CB 4.31Å
67H98.7Very high98.5Very high1 Ų130.2 Ų30.21%0.00516%0.158CC..THydrogen-bonded Turntrans-57.2-41.6-164.679.7-70.4000114.3H37 M41 M63 A64 F118H37-H67 AromaticContact NE2-NE2 3.95Å; M41-H67 WeakPolarHBondContact CE-CE1 3.17Å; M41-H67 PolarHBondContact SD-CE1 2.99Å; M63-H67 PolarHBondContact O-N 2.81Å; A64-H67 PolarHBondContact O-ND1 2.97Å; H67-F118 HydrophobicContact CB-CB 4.33Å; H67-F118 HydrophobicContact CB-CD1 3.72Å; H67-F118 HydrophobicContact CB-CD2 3.86Å; H67-F118 HydrophobicContact CB-CE1 3.9Å; H67-F118 HydrophobicContact CB-CE2 4.03Å; H67-F118 HydrophobicContact CB-CG 3.69Å; H67-F118 HydrophobicContact CB-CZ 4.05Å; H67-F118 AromaticContact CD2-CE1 3.58Å; H67-F118 AromaticContact CD2-CE2 3.85Å; H67-F118 AromaticContact CD2-CZ 3.31Å; H67-F118 WeakPolarHBondContact CD2-CZ 3.29Å; H67-F118 AromaticContact CG-CZ 3.91Å
68D98.7Very high98.3Very high11 Ų1128.4 Ų28.46%0.05915%0.152CC..THydrogen-bonded Turntrans-97.113.9178.1-75.2-8.7000113.5R20 V34 H37 M38 V66 A70 E71R20-D68 IonicContact NH1-OD2 3.75Å; V34-D68 HydrophobicContact CG1-CB 3.66Å; H37-D68 IonicContact CD2-OD2 3.15Å; H37-D68 IonicContact NE2-OD2 3.82Å; M38-D68 HydrophobicContact CG-CB 4.25Å; M38-D68 HydrophobicContact SD-CB 3.88Å; V66-D68 VanDerWaalsContact C-N 3.34Å; V66-D68 PolarHBondContact O-N 3.28Å; D68-A70 PolarHBondContact O-N 2.96Å; D68-A70 VanDerWaalsContact O-N 3.17Å; D68-E71 HydrophobicContact CB-CG 4.15Å; D68-E71 WeakPolarHBondContact O-CB 3.31Å; D68-E71 WeakPolarHBondContact O-CG 3.49Å; D68-E71 PolarHBondContact O-N 3.3Å
69L98.6Very high97.9Very high7 Ų729.6 Ų29.64%0.03717%0.165CC..THydrogen-bonded Turntrans-59.7-31.2-179.1-178.557.9000112.4F8 L12 L15 V66 E71 S72 M96 I99 V111F8-L69 HydrophobicContact CE2-CD2 4.33Å; L12-L69 HydrophobicContact CD2-CD1 3.74Å; L15-L69 HydrophobicContact CD1-CD1 3.8Å; V66-L69 WeakPolarHBondContact O-CB 3.48Å; V66-L69 PolarHBondContact O-N 3.02Å; L69-E71 PolarHBondContact O-N 3.42Å; L69-S72 WeakPolarHBondContact O-CB 3.23Å; L69-S72 PolarHBondContact O-N 2.88Å; L69-S72 PolarHBondContact O-OG 3.36Å; L69-M96 HydrophobicContact CB-CE 4.34Å; L69-M96 HydrophobicContact CB-SD 3.86Å; L69-M96 HydrophobicContact CD2-CE 4.1Å; L69-M96 HydrophobicContact CD2-SD 4.39Å; L69-M96 HydrophobicContact CG-SD 4.2Å; L69-I99 HydrophobicContact CD2-CG2 3.95Å; L69-I99 HydrophobicContact CG-CD1 4.01Å; L69-I99 HydrophobicContact CG-CG2 4.17Å; L69-I99 VanDerWaalsContact O-CD1 3.3Å; L69-I99 WeakPolarHBondContact O-CD1 3.48Å; L69-V111 HydrophobicContact CD2-CG1 4.15Å
70A98.7Very high97.6Very high0 Ų030.4 Ų30.40%018%0.181CC..THydrogen-bonded Turntrans-59.8-29.6176.800000113.4D68 S72 I73 I74 E92 A95 M96 F115D68-A70 PolarHBondContact O-N 2.96Å; D68-A70 VanDerWaalsContact O-N 3.17Å; A70-S72 PolarHBondContact O-N 3.46Å; A70-I73 PolarHBondContact O-N 2.75Å; A70-I74 PolarHBondContact O-N 3.35Å; A70-E92 HydrophobicContact CB-CB 3.83Å; A70-E92 HydrophobicContact CB-CG 3.94Å; A70-A95 HydrophobicContact CB-CB 4.11Å; A70-M96 HydrophobicContact CB-CG 3.95Å; A70-M96 HydrophobicContact CB-SD 3.98Å; A70-F115 HydrophobicContact CB-CE2 4.49Å
71E98.7Very high97.3Very high4 Ų433.1 Ų33.12%0.01920%0.199CC..Hα-helixtrans-63.2-17.5-178.8-58.5-168.5167.300112.3L15 L18 R20 V34 D68 L69 I73 G75 D76L15-E71 HydrophobicContact CD2-CB 4.03Å; L18-E71 HydrophobicContact CD2-CB 3.92Å; L18-E71 WeakPolarHBondContact CD2-O 3.31Å; R20-E71 IonicContact NH1-OE1 3.68Å; V34-E71 VanDerWaalsContact CG1-OE2 3.25Å; V34-E71 WeakPolarHBondContact CG1-OE2 3.2Å; V34-E71 WeakPolarHBondContact CG2-OE2 3.38Å; D68-E71 HydrophobicContact CB-CG 4.15Å; D68-E71 WeakPolarHBondContact O-CB 3.31Å; D68-E71 WeakPolarHBondContact O-CG 3.49Å; D68-E71 PolarHBondContact O-N 3.3Å; L69-E71 PolarHBondContact O-N 3.42Å; E71-I73 PolarHBondContact O-N 3.3Å; E71-I73 VanDerWaalsContact O-N 3.13Å; E71-G75 VanDerWaalsContact O-CA 3.28Å; E71-G75 WeakPolarHBondContact O-CA 3.2Å; E71-G75 PolarHBondContact O-N 2.83Å; E71-D76 WeakPolarHBondContact OE2-CB 3.4Å
72S98.7Very high97.1Very high6 Ų638.9 Ų38.94%0.04223%0.229CC..Hα-helixtrans-62.5-16.9171.967.60000113.9F11 R14 L15 L69 A70 I99F11-S72 VanDerWaalsContact O-CB 3.24Å; F11-S72 WeakPolarHBondContact O-CB 3.43Å; R14-S72 WeakPolarHBondContact CD-O 3.44Å; R14-S72 PolarHBondContact NH1-O 3.04Å; L15-S72 VanDerWaalsContact CD2-N 3.35Å; L69-S72 WeakPolarHBondContact O-CB 3.23Å; L69-S72 PolarHBondContact O-N 2.88Å; L69-S72 PolarHBondContact O-OG 3.36Å; A70-S72 PolarHBondContact O-N 3.46Å; S72-I99 VanDerWaalsContact OG-CD1 3.27Å; S72-I99 WeakPolarHBondContact OG-CD1 3.44Å
73I98.5Very high96.9Very high70 Ų7037.8 Ų37.836%0.35923%0.226SC..Hα-helixtrans-111.5-47.6176.2-64-178.4000110.5F11 A70 E71 A95 K98 I99F11-I73 HydrophobicContact CD1-CD1 4.23Å; F11-I73 HydrophobicContact CD1-CG1 3.89Å; F11-I73 HydrophobicContact CE1-CD1 3.63Å; F11-I73 HydrophobicContact CE1-CG1 3.61Å; F11-I73 HydrophobicContact CZ-CD1 4.22Å; A70-I73 PolarHBondContact O-N 2.75Å; E71-I73 PolarHBondContact O-N 3.3Å; E71-I73 VanDerWaalsContact O-N 3.13Å; I73-A95 HydrophobicContact CB-CB 3.89Å; I73-A95 HydrophobicContact CD1-CB 4.01Å; I73-A95 HydrophobicContact CG1-CB 4.39Å; I73-A95 HydrophobicContact CG2-CB 4.2Å; I73-K98 HydrophobicContact CD1-CB 4.09Å; I73-K98 HydrophobicContact CD1-CG 4.08Å; I73-I99 HydrophobicContact CD1-CD1 4.11Å; I73-I99 HydrophobicContact CD1-CG1 3.73Å; I73-I99 HydrophobicContact CG1-CD1 4.36Å; I73-I99 HydrophobicContact CG1-CG1 4.36Å
74I97.9Very high96.8Very high47 Ų4741 Ų4124%0.24125%0.249CC..Hα-helixtrans-96.2-8.7-169.266.3157.5000114.3A70 I77 W91 E92 A95A70-I74 PolarHBondContact O-N 3.35Å; I74-I77 HydrophobicContact CD1-CD1 3.79Å; I74-I77 HydrophobicContact CD1-CG1 4.33Å; I74-W91 HydrophobicContact CG2-CB 4.36Å; I74-E92 HydrophobicContact CD1-CB 4.31Å; I74-E92 HydrophobicContact CD1-CG 3.18Å; I74-E92 HydrophobicContact CG1-CG 4.32Å; I74-A95 HydrophobicContact CG2-CB 4.02Å
75G98.1Very high96.5Very high21 Ų2148.6 Ų48.622%0.21628%0.281CS..  trans76168.9-171.100000113.5E71 I77E71-G75 VanDerWaalsContact O-CA 3.28Å; E71-G75 WeakPolarHBondContact O-CA 3.2Å; E71-G75 PolarHBondContact O-N 2.83Å; G75-I77 PolarHBondContact O-N 3.18Å
76D98.2Very high96.4Very high12 Ų1251 Ų516%0.06429%0.291CS..  trans-77.499175.7174.816.5000109.9R20 T21 V34 E71R20-D76 VanDerWaalsContact C-OD2 3.31Å; R20-D76 WeakPolarHBondContact CA-OD2 3.14Å; R20-D76 WeakPolarHBondContact CD-OD2 3.35Å; R20-D76 IonicContact NE-OD2 2.82Å; R20-D76 IonicContact NH1-OD1 2.89Å; R20-D76 PolarHBondContact NH1-OD1 2.95Å; R20-D76 IonicContact NH1-OD2 3.87Å; T21-D76 VanDerWaalsContact CB-O 3.29Å; T21-D76 WeakPolarHBondContact CB-O 3.34Å; T21-D76 PolarHBondContact N-OD2 3.14Å; T21-D76 PolarHBondContact OG1-O 3.31Å; V34-D76 HydrophobicContact CG2-CB 4.3Å; E71-D76 WeakPolarHBondContact OE2-CB 3.4Å
77I96.6Very high96.3Very high26 Ų2651.3 Ų51.313%0.13329%0.294CS..  trans-82.9118-178.7-61.4-177000109.9I74 G75 C81 I83 K88 W91I74-I77 HydrophobicContact CD1-CD1 3.79Å; I74-I77 HydrophobicContact CD1-CG1 4.33Å; G75-I77 PolarHBondContact O-N 3.18Å; I77-C81 HydrophobicContact CG2-CB 3.89Å; I77-I83 HydrophobicContact CG2-CB 4.23Å; I77-I83 HydrophobicContact CG2-CG1 4.16Å; I77-K88 HydrophobicContact CG2-CD 4.45Å; I77-W91 HydrophobicContact CD1-CE3 3.94Å; I77-W91 HydrophobicContact CD1-CZ3 4.24Å
78T94Very high96.2Very high18 Ų1853.7 Ų53.711%0.1131%0.305CS..  trans-102167.9179.965.10000112.4T21 A80 C81T21-T78 VanDerWaalsContact CB-CG2 3.5Å; T21-T78 HydrophobicContact CG2-CG2 3.55Å; T78-A80 PolarHBondContact O-N 2.98Å; T78-A80 VanDerWaalsContact O-N 3.11Å; T78-C81 VanDerWaalsContact O-CB 3.29Å; T78-C81 WeakPolarHBondContact O-CB 3.45Å; T78-C81 PolarHBondContact O-N 3.24Å
79P90.6Very high96.1Very high123 Ų12356.5 Ų56.580%0.79932%0.317SS*.G310 helixtrans-54.4-29.5172.3-28.536.9000114.1C81 N82P79-C81 PolarHBondContact O-N 3.43Å; P79-N82 PolarHBondContact O-N 3.04Å
80A92.2Very high96.1Very high69 Ų6961.4 Ų61.457%0.5734%0.339SS*.G310 helixtrans-65.6-19.9177.700000113.4T78 N82T78-A80 PolarHBondContact O-N 2.98Å; T78-A80 VanDerWaalsContact O-N 3.11Å; A80-N82 PolarHBondContact O-N 3.17Å; A80-N82 PolarHBondContact O-ND2 3.4Å
81C92.7Very high96.1Very high58 Ų5867.3 Ų67.339%0.39236%0.362SS..G310 helixtrans-74.5-11177-57.10000113.1I77 T78 P79 I83I77-C81 HydrophobicContact CG2-CB 3.89Å; T78-C81 VanDerWaalsContact O-CB 3.29Å; T78-C81 WeakPolarHBondContact O-CB 3.45Å; T78-C81 PolarHBondContact O-N 3.24Å; P79-C81 PolarHBondContact O-N 3.43Å; C81-I83 HydrophobicContact CB-CG1 4.08Å; C81-I83 PolarHBondContact O-N 2.9Å
82N94.1Very high96.1Very high146 Ų14667.2 Ų67.278%0.78136%0.361SS*.  trans53.933.2179-62.1-57.6000114.5P79 A80P79-N82 PolarHBondContact O-N 3.04Å; A80-N82 PolarHBondContact O-N 3.17Å; A80-N82 PolarHBondContact O-ND2 3.4Å
83I95Very high96Very high66 Ų6669 Ų6934%0.33837%0.367SS..  trans-89.5135.1174.4-56-55.2000109.2I77 C81 A87 K88 W91I77-I83 HydrophobicContact CG2-CB 4.23Å; I77-I83 HydrophobicContact CG2-CG1 4.16Å; C81-I83 HydrophobicContact CB-CG1 4.08Å; C81-I83 PolarHBondContact O-N 2.9Å; I83-A87 HydrophobicContact CG2-CB 3.81Å; I83-K88 HydrophobicContact CG2-CB 4.16Å; I83-W91 HydrophobicContact CD1-CH2 3.76Å; I83-W91 HydrophobicContact CD1-CZ3 3.85Å; I83-W91 HydrophobicContact CG1-CH2 4.35Å; I83-W91 HydrophobicContact CG1-CZ3 3.94Å; I83-W91 HydrophobicContact CG2-CE3 4.26Å; I83-W91 HydrophobicContact CG2-CH2 4.18Å; I83-W91 HydrophobicContact CG2-CZ3 3.81Å
84S95.9Very high96Very high68 Ų6868.2 Ų68.248%0.47637%0.371SS..  trans-66.6150.4177.276.20000110.9Q86 A87 K88S84-Q86 PolarHBondContact O-N 3.28Å; S84-A87 PolarHBondContact O-N 3.32Å; S84-A87 VanDerWaalsContact O-N 3.13Å; S84-A87 WeakPolarHBondContact OG-CB 3.4Å; S84-A87 PolarHBondContact OG-N 3.45Å; S84-A87 VanDerWaalsContact OG-N 3.13Å; S84-K88 PolarHBondContact O-N 3.05Å
85K93.2Very high96.1Very high161 Ų16166.2 Ų66.270%0.736%0.362SS*.Hα-helixtrans-53.9-38.8176.2-71-174.6178.6178.30112.3F89K85-F89 WeakPolarHBondContact O-CB 3.2Å; K85-F89 PolarHBondContact O-N 3.25Å
86Q96Very high96.1Very high142 Ų14265.2 Ų65.266%0.66435%0.351SS*.Hα-helixtrans-67.9-43.6179.3-172.9177.32500112.2S84 Q90S84-Q86 PolarHBondContact O-N 3.28Å; Q86-Q90 VanDerWaalsContact O-CG 3.29Å; Q86-Q90 WeakPolarHBondContact O-CG 3.4Å; Q86-Q90 PolarHBondContact O-N 3.31Å
87A97Very high96.1Very high21 Ų2169.9 Ų69.917%0.17437%0.373CS..Hα-helixtrans-66.7-44177.700000111.2I83 S84 F89 Q90 W91I83-A87 HydrophobicContact CG2-CB 3.81Å; S84-A87 PolarHBondContact O-N 3.32Å; S84-A87 VanDerWaalsContact O-N 3.13Å; S84-A87 WeakPolarHBondContact OG-CB 3.4Å; S84-A87 PolarHBondContact OG-N 3.45Å; S84-A87 VanDerWaalsContact OG-N 3.13Å; A87-F89 PolarHBondContact O-N 2.68Å; A87-Q90 PolarHBondContact O-N 3.41Å; A87-W91 VanDerWaalsContact O-CG 3.26Å; A87-W91 PolarHBondContact O-N 3.08Å
88K97Very high96.1Very high51 Ų5172.9 Ų72.922%0.22239%0.385CS..Hα-helixtrans-54.7-52.9174.3-179.1178.5-178.4-75.10110.6I77 I83 S84 Q90 W91 E92I77-K88 HydrophobicContact CG2-CD 4.45Å; I83-K88 HydrophobicContact CG2-CB 4.16Å; S84-K88 PolarHBondContact O-N 3.05Å; K88-Q90 VanDerWaalsContact C-N 3.33Å; K88-Q90 PolarHBondContact O-N 3.4Å; K88-W91 PolarHBondContact O-N 2.88Å; K88-E92 WeakPolarHBondContact CE-OE1 3.25Å; K88-E92 HydrophobicContact CG-CG 4.37Å; K88-E92 WeakPolarHBondContact CG-OE2 3.4Å; K88-E92 IonicContact NZ-OE1 3.09Å; K88-E92 PolarHBondContact NZ-OE1 3.44Å; K88-E92 IonicContact NZ-OE2 3.74Å; K88-E92 PolarHBondContact NZ-OE2 3.35Å; K88-E92 WeakPolarHBondContact O-CB 3.39Å; K88-E92 WeakPolarHBondContact O-CG 3.04Å; K88-E92 PolarHBondContact O-N 3Å
89F96.8Very high96.3Very high71 Ų7172 Ų7231%0.31138%0.38SS..Hα-helixtrans-57.8-43.1178.6176.1-102.3000112.7K85 A87 R93 F115 E119K85-F89 WeakPolarHBondContact O-CB 3.2Å; K85-F89 PolarHBondContact O-N 3.25Å; A87-F89 PolarHBondContact O-N 2.68Å; F89-R93 WeakPolarHBondContact O-CB 3.32Å; F89-R93 PolarHBondContact O-N 3.38Å; F89-F115 HydrophobicContact CD2-CE1 4.43Å; F89-F115 HydrophobicContact CE2-CE1 4.01Å; F89-E119 HydrophobicContact CD2-CB 3.9Å; F89-E119 HydrophobicContact CD2-CG 3.82Å; F89-E119 HydrophobicContact CE2-CB 3.73Å; F89-E119 HydrophobicContact CE2-CG 3.9Å
90Q98Very high96.6Very high109 Ų10966.8 Ų66.851%0.50935%0.345SS..Hα-helixtrans-62.8-43.3178.2-75.3172.2-3.100112.3Q86 A87 K88 A94Q86-Q90 VanDerWaalsContact O-CG 3.29Å; Q86-Q90 WeakPolarHBondContact O-CG 3.4Å; Q86-Q90 PolarHBondContact O-N 3.31Å; A87-Q90 PolarHBondContact O-N 3.41Å; K88-Q90 VanDerWaalsContact C-N 3.33Å; K88-Q90 PolarHBondContact O-N 3.4Å; Q90-A94 WeakPolarHBondContact O-CB 3.18Å; Q90-A94 PolarHBondContact O-N 2.89Å
91W98.3Very high96.8Very high125 Ų12569 Ų6947%0.47334%0.344SS..Hα-helixtrans-68.2-44179-63-11.2000111.8I74 I77 I83 A87 K88 R93 A94 A95I74-W91 HydrophobicContact CG2-CB 4.36Å; I77-W91 HydrophobicContact CD1-CE3 3.94Å; I77-W91 HydrophobicContact CD1-CZ3 4.24Å; I83-W91 HydrophobicContact CD1-CH2 3.76Å; I83-W91 HydrophobicContact CD1-CZ3 3.85Å; I83-W91 HydrophobicContact CG1-CH2 4.35Å; I83-W91 HydrophobicContact CG1-CZ3 3.94Å; I83-W91 HydrophobicContact CG2-CE3 4.26Å; I83-W91 HydrophobicContact CG2-CH2 4.18Å; I83-W91 HydrophobicContact CG2-CZ3 3.81Å; A87-W91 VanDerWaalsContact O-CG 3.26Å; A87-W91 PolarHBondContact O-N 3.08Å; K88-W91 PolarHBondContact O-N 2.88Å; W91-R93 VanDerWaalsContact C-N 3.32Å; W91-R93 PolarHBondContact O-N 3.49Å; W91-A94 PolarHBondContact O-N 3.36Å; W91-A95 WeakPolarHBondContact O-CB 3.38Å; W91-A95 PolarHBondContact O-N 3.26Å
92E98.4Very high97Very high1 Ų168.2 Ų68.21%0.00533%0.334CS..Hα-helixtrans-62.3-43.2175.7-73177.6150.400111.3A70 I74 K88 A94 A95 M96 F115A70-E92 HydrophobicContact CB-CB 3.83Å; A70-E92 HydrophobicContact CB-CG 3.94Å; I74-E92 HydrophobicContact CD1-CB 4.31Å; I74-E92 HydrophobicContact CD1-CG 3.18Å; I74-E92 HydrophobicContact CG1-CG 4.32Å; K88-E92 WeakPolarHBondContact CE-OE1 3.25Å; K88-E92 HydrophobicContact CG-CG 4.37Å; K88-E92 WeakPolarHBondContact CG-OE2 3.4Å; K88-E92 IonicContact NZ-OE1 3.09Å; K88-E92 PolarHBondContact NZ-OE1 3.44Å; K88-E92 IonicContact NZ-OE2 3.74Å; K88-E92 PolarHBondContact NZ-OE2 3.35Å; K88-E92 WeakPolarHBondContact O-CB 3.39Å; K88-E92 WeakPolarHBondContact O-CG 3.04Å; K88-E92 PolarHBondContact O-N 3Å; E92-A94 PolarHBondContact O-N 2.91Å; E92-A95 WeakPolarHBondContact O-CB 3.41Å; E92-A95 PolarHBondContact O-N 3.46Å; E92-M96 VanDerWaalsContact O-CG 3.31Å; E92-M96 WeakPolarHBondContact O-CG 3.31Å; E92-M96 PolarHBondContact O-N 3.11Å; E92-F115 HydrophobicContact CB-CE1 4.49Å; E92-F115 HydrophobicContact CB-CE2 4.04Å; E92-F115 HydrophobicContact CB-CZ 3.5Å
93R98.2Very high97Very high43 Ų4362.5 Ų62.516%0.16231%0.305CS..Hα-helixtrans-62.7-44.5178.9-178.252.9-179.8-154.8-22.4112F89 W91 A95 M96 E97 I112 F115 D116F89-R93 WeakPolarHBondContact O-CB 3.32Å; F89-R93 PolarHBondContact O-N 3.38Å; W91-R93 VanDerWaalsContact C-N 3.32Å; W91-R93 PolarHBondContact O-N 3.49Å; R93-A95 VanDerWaalsContact C-N 3.31Å; R93-A95 PolarHBondContact O-N 2.92Å; R93-M96 PolarHBondContact O-N 2.96Å; R93-E97 IonicContact NE-OE1 3.62Å; R93-E97 PolarHBondContact NE-OE1 3.29Å; R93-E97 WeakPolarHBondContact O-CG 3.39Å; R93-E97 PolarHBondContact O-N 3.05Å; R93-I112 PolarHBondContact NH1-O 3.2Å; R93-I112 VanDerWaalsContact NH1-O 3.08Å; R93-F115 HydrophobicContact CB-CE1 4.25Å; R93-D116 IonicContact CZ-OD1 3.43Å; R93-D116 IonicContact CZ-OD2 3.47Å; R93-D116 IonicContact NE-OD1 2.72Å; R93-D116 IonicContact NH1-OD1 3.78Å; R93-D116 PolarHBondContact NH1-OD1 3.49Å; R93-D116 IonicContact NH1-OD2 3.38Å; R93-D116 PolarHBondContact NH1-OD2 2.97Å; R93-D116 IonicContact NH2-OD1 3.18Å; R93-D116 IonicContact NH2-OD2 3.13Å; R93-D116 PolarHBondContact NH2-OD2 3.35Å
94A98.5Very high96.9Very high55 Ų5562.4 Ų62.446%0.45531%0.307SS..Hα-helixtrans-62.8-38.4175.500000112Q90 W91 E92 E97 K98Q90-A94 WeakPolarHBondContact O-CB 3.18Å; Q90-A94 PolarHBondContact O-N 2.89Å; W91-A94 PolarHBondContact O-N 3.36Å; E92-A94 PolarHBondContact O-N 2.91Å; A94-E97 PolarHBondContact O-N 3.05Å; A94-K98 PolarHBondContact O-N 3.09Å; A94-K98 VanDerWaalsContact O-N 3.07Å
95A98.6Very high96.4Very high5 Ų563.3 Ų63.34%0.04132%0.319CS..Hα-helixtrans-63.4-43.5173.500000111.9A70 I73 I74 W91 E92 R93 E97 K98 I99A70-A95 HydrophobicContact CB-CB 4.11Å; I73-A95 HydrophobicContact CB-CB 3.89Å; I73-A95 HydrophobicContact CD1-CB 4.01Å; I73-A95 HydrophobicContact CG1-CB 4.39Å; I73-A95 HydrophobicContact CG2-CB 4.2Å; I74-A95 HydrophobicContact CG2-CB 4.02Å; W91-A95 WeakPolarHBondContact O-CB 3.38Å; W91-A95 PolarHBondContact O-N 3.26Å; E92-A95 WeakPolarHBondContact O-CB 3.41Å; E92-A95 PolarHBondContact O-N 3.46Å; R93-A95 VanDerWaalsContact C-N 3.31Å; R93-A95 PolarHBondContact O-N 2.92Å; A95-E97 PolarHBondContact O-N 3.32Å; A95-K98 WeakPolarHBondContact O-CB 3.43Å; A95-K98 PolarHBondContact O-N 2.61Å; A95-I99 VanDerWaalsContact O-CG1 3.25Å; A95-I99 WeakPolarHBondContact O-CG1 3.37Å; A95-I99 PolarHBondContact O-N 2.87Å
96M98.3Very high96.2Very high0 Ų061.3 Ų61.30%032%0.315CS..Hα-helixtrans-61.5-43176.6-72-59.8-61.900112.3V66 L69 A70 E92 R93 K98 I99 C100 V111 I112 F115V66-M96 HydrophobicContact CG1-CE 3.92Å; L69-M96 HydrophobicContact CB-CE 4.34Å; L69-M96 HydrophobicContact CB-SD 3.86Å; L69-M96 HydrophobicContact CD2-CE 4.1Å; L69-M96 HydrophobicContact CD2-SD 4.39Å; L69-M96 HydrophobicContact CG-SD 4.2Å; A70-M96 HydrophobicContact CB-CG 3.95Å; A70-M96 HydrophobicContact CB-SD 3.98Å; E92-M96 VanDerWaalsContact O-CG 3.31Å; E92-M96 WeakPolarHBondContact O-CG 3.31Å; E92-M96 PolarHBondContact O-N 3.11Å; R93-M96 PolarHBondContact O-N 2.96Å; M96-K98 VanDerWaalsContact C-N 3.31Å; M96-K98 PolarHBondContact O-N 2.89Å; M96-I99 PolarHBondContact O-N 3.31Å; M96-C100 WeakPolarHBondContact O-CB 3.2Å; M96-C100 PolarHBondContact O-N 3.05Å; M96-C100 PolarHBondContact O-SG 3.34Å; M96-V111 HydrophobicContact CE-CG1 3.48Å; M96-V111 VanDerWaalsContact CE-CG1 3.48Å; M96-I112 HydrophobicContact CB-CD1 3.8Å; M96-F115 HydrophobicContact CE-CB 3.91Å; M96-F115 HydrophobicContact CE-CD2 4.42Å; M96-F115 HydrophobicContact CE-CG 4.24Å; M96-F115 HydrophobicContact CG-CB 4.36Å; M96-F115 HydrophobicContact CG-CD1 3.94Å; M96-F115 HydrophobicContact CG-CD2 3.72Å; M96-F115 HydrophobicContact CG-CE1 4.19Å; M96-F115 HydrophobicContact CG-CE2 3.99Å; M96-F115 HydrophobicContact CG-CG 3.71Å; M96-F115 HydrophobicContact CG-CZ 4.22Å; M96-F115 HydrophobicContact SD-CD2 4.11Å; M96-F115 HydrophobicContact SD-CG 4.38Å
97E97.7Very high96.2Very high110 Ų11058.4 Ų58.451%0.51430%0.303SS..Hα-helixtrans-58.4-45.2174.3-73.5171.4-178.100110.8R93 A94 A95 I99 C100 E101 I112R93-E97 IonicContact NE-OE1 3.62Å; R93-E97 PolarHBondContact NE-OE1 3.29Å; R93-E97 WeakPolarHBondContact O-CG 3.39Å; R93-E97 PolarHBondContact O-N 3.05Å; A94-E97 PolarHBondContact O-N 3.05Å; A95-E97 PolarHBondContact O-N 3.32Å; E97-I99 PolarHBondContact O-N 3Å; E97-C100 PolarHBondContact O-N 2.97Å; E97-E101 PolarHBondContact O-N 3.23Å; E97-I112 HydrophobicContact CG-CD1 4.2Å
98K98Very high96.1Very high89 Ų8958 Ų5839%0.38730%0.3SS..Hα-helixtrans-62.4-43.7177.2-176.254.6175.7174.90113I73 A94 A95 M96 C100 E101 F102I73-K98 HydrophobicContact CD1-CB 4.09Å; I73-K98 HydrophobicContact CD1-CG 4.08Å; A94-K98 PolarHBondContact O-N 3.09Å; A94-K98 VanDerWaalsContact O-N 3.07Å; A95-K98 WeakPolarHBondContact O-CB 3.43Å; A95-K98 PolarHBondContact O-N 2.61Å; M96-K98 VanDerWaalsContact C-N 3.31Å; M96-K98 PolarHBondContact O-N 2.89Å; K98-C100 VanDerWaalsContact C-N 3.3Å; K98-C100 PolarHBondContact O-N 3.39Å; K98-E101 WeakPolarHBondContact CD-OE1 3.45Å; K98-E101 IonicContact NZ-OE1 2.68Å; K98-E101 PolarHBondContact NZ-OE1 3.04Å; K98-E101 IonicContact NZ-OE2 3.62Å; K98-E101 PolarHBondContact NZ-OE2 3.43Å; K98-E101 WeakPolarHBondContact O-CB 3.32Å; K98-E101 PolarHBondContact O-N 2.71Å; K98-F102 WeakPolarHBondContact O-CD2 3.16Å; K98-F102 WeakPolarHBondContact O-CE2 3.37Å
99I97.9Very high96.1Very high0 Ų060.3 Ų60.30%031%0.314CS..Hα-helixtrans-64-39.6178.5-67.4164.8000110.3F8 F11 L69 S72 I73 A95 M96 E97 E101 F102F8-I99 HydrophobicContact CD2-CG2 3.93Å; F8-I99 HydrophobicContact CE2-CG2 3.64Å; F11-I99 HydrophobicContact CD1-CG1 4.12Å; F11-I99 HydrophobicContact CD2-CG1 4.17Å; F11-I99 HydrophobicContact CD2-CG2 4.38Å; F11-I99 HydrophobicContact CE1-CG1 4.32Å; F11-I99 HydrophobicContact CE2-CG1 4.36Å; F11-I99 HydrophobicContact CG-CG1 4.06Å; F11-I99 HydrophobicContact CZ-CG1 4.43Å; L69-I99 HydrophobicContact CD2-CG2 3.95Å; L69-I99 HydrophobicContact CG-CD1 4.01Å; L69-I99 HydrophobicContact CG-CG2 4.17Å; L69-I99 VanDerWaalsContact O-CD1 3.3Å; L69-I99 WeakPolarHBondContact O-CD1 3.48Å; S72-I99 VanDerWaalsContact OG-CD1 3.27Å; S72-I99 WeakPolarHBondContact OG-CD1 3.44Å; I73-I99 HydrophobicContact CD1-CD1 4.11Å; I73-I99 HydrophobicContact CD1-CG1 3.73Å; I73-I99 HydrophobicContact CG1-CD1 4.36Å; I73-I99 HydrophobicContact CG1-CG1 4.36Å; A95-I99 VanDerWaalsContact O-CG1 3.25Å; A95-I99 WeakPolarHBondContact O-CG1 3.37Å; A95-I99 PolarHBondContact O-N 2.87Å; M96-I99 PolarHBondContact O-N 3.31Å; E97-I99 PolarHBondContact O-N 3Å; I99-E101 PolarHBondContact O-N 3.24Å; I99-F102 PolarHBondContact O-N 3.07Å; I99-F102 VanDerWaalsContact O-N 3.14Å
100C97.1Very high96.1Very high12 Ų1259.5 Ų59.58%0.08131%0.312CS..Hα-helixtrans-70.7-15-177-70.10000114.2M96 E97 K98 F102 V103 A108 I112M96-C100 WeakPolarHBondContact O-CB 3.2Å; M96-C100 PolarHBondContact O-N 3.05Å; M96-C100 PolarHBondContact O-SG 3.34Å; E97-C100 PolarHBondContact O-N 2.97Å; K98-C100 VanDerWaalsContact C-N 3.3Å; K98-C100 PolarHBondContact O-N 3.39Å; C100-F102 PolarHBondContact O-N 3.25Å; C100-F102 VanDerWaalsContact O-N 3.16Å; C100-V103 PolarHBondContact O-N 3.16Å; C100-A108 HydrophobicContact CB-CB 4.09Å; C100-I112 HydrophobicContact CB-CD1 4.46Å; C100-I112 HydrophobicContact CB-CG1 4.2Å
101E96.6Very high96.1Very high115 Ų11555.4 Ų55.454%0.53729%0.294SS..THydrogen-bonded Turntrans-57.7-24.2168.3-66.2175.6-162.900112.6E97 K98 I99E97-E101 PolarHBondContact O-N 3.23Å; K98-E101 WeakPolarHBondContact CD-OE1 3.45Å; K98-E101 IonicContact NZ-OE1 2.68Å; K98-E101 PolarHBondContact NZ-OE1 3.04Å; K98-E101 IonicContact NZ-OE2 3.62Å; K98-E101 PolarHBondContact NZ-OE2 3.43Å; K98-E101 WeakPolarHBondContact O-CB 3.32Å; K98-E101 PolarHBondContact O-N 2.71Å; I99-E101 PolarHBondContact O-N 3.24Å
102F96.4Very high96.1Very high42 Ų4250.6 Ų50.618%0.18428%0.277CS..THydrogen-bonded Turntrans-103.7-4.1-176.9-53.7-79.4000113.6N4 T7 F8 F11 K98 I99 C100N4-F102 HydrophobicContact CB-CB 4.4Å; T7-F102 HydrophobicContact CG2-CD1 3.68Å; T7-F102 HydrophobicContact CG2-CD2 4.16Å; T7-F102 HydrophobicContact CG2-CE1 3.58Å; T7-F102 HydrophobicContact CG2-CE2 4.06Å; T7-F102 HydrophobicContact CG2-CG 3.97Å; T7-F102 HydrophobicContact CG2-CZ 3.77Å; F8-F102 HydrophobicContact CB-CB 4.27Å; F11-F102 AromaticContact CE2-CD2 3.64Å; F11-F102 HydrophobicContact CE2-CD2 3.64Å; F11-F102 AromaticContact CE2-CE2 3.79Å; F11-F102 HydrophobicContact CE2-CE2 3.79Å; F11-F102 HydrophobicContact CZ-CD2 4.46Å; F11-F102 HydrophobicContact CZ-CE2 4.19Å; K98-F102 WeakPolarHBondContact O-CD2 3.16Å; K98-F102 WeakPolarHBondContact O-CE2 3.37Å; I99-F102 PolarHBondContact O-N 3.07Å; I99-F102 VanDerWaalsContact O-N 3.14Å; C100-F102 PolarHBondContact O-N 3.25Å; C100-F102 VanDerWaalsContact O-N 3.16Å
103V94.6Very high96Very high27 Ų2757.3 Ų57.316%0.16430%0.303CS..SBendtrans-88148174.6-179.80000109F8 C100 A105 M107 A108F8-V103 HydrophobicContact CD2-CG2 3.87Å; F8-V103 HydrophobicContact CE2-CG2 3.68Å; F8-V103 HydrophobicContact CZ-CG2 4.28Å; C100-V103 PolarHBondContact O-N 3.16Å; V103-A105 PolarHBondContact O-N 3.09Å; V103-M107 HydrophobicContact CG1-CB 3.83Å; V103-A108 HydrophobicContact CB-CB 4.46Å
104V92.2Very high96Very high64 Ų6455.6 Ų55.639%0.38830%0.296SS..  trans-57.5136.9175.7-68.30000110.6M1 N106 M107 A108M1-V104 HydrophobicContact CE-CG1 3.76Å; V104-N106 VanDerWaalsContact CG2-OD1 3.22Å; V104-N106 WeakPolarHBondContact CG2-OD1 3.4Å; V104-N106 PolarHBondContact O-N 3.39Å; V104-N106 VanDerWaalsContact O-N 3.07Å; V104-M107 HydrophobicContact CG2-CB 3.87Å; V104-M107 HydrophobicContact CG2-CG 3.7Å; V104-M107 WeakPolarHBondContact O-CA 3.38Å; V104-M107 PolarHBondContact O-N 3.46Å; V104-A108 PolarHBondContact O-N 3.32Å
105A86.5Confident96.1Very high87 Ų8753 Ų5372%0.71928%0.275SS*.Hα-helixtrans-55.1-35.5-167.300000114.1V103 M107V103-A105 PolarHBondContact O-N 3.09Å; A105-M107 PolarHBondContact O-N 3.02Å
106N88.7Confident96Very high118 Ų11853.7 Ų53.763%0.63128%0.278SS*.Hα-helixtrans-70.4-15178.167-42.9000114.2V104V104-N106 VanDerWaalsContact CG2-OD1 3.22Å; V104-N106 WeakPolarHBondContact CG2-OD1 3.4Å; V104-N106 PolarHBondContact O-N 3.39Å; V104-N106 VanDerWaalsContact O-N 3.07Å
107M94.6Very high96Very high81 Ų8155.4 Ų55.440%0.39929%0.286SS..Hα-helixtrans-109.4-24.6179.4-63.8-63.3175.100113.3V103 V104 A105 D109 Q110 V111V103-M107 HydrophobicContact CG1-CB 3.83Å; V104-M107 HydrophobicContact CG2-CB 3.87Å; V104-M107 HydrophobicContact CG2-CG 3.7Å; V104-M107 WeakPolarHBondContact O-CA 3.38Å; V104-M107 PolarHBondContact O-N 3.46Å; A105-M107 PolarHBondContact O-N 3.02Å; M107-D109 VanDerWaalsContact C-N 3.28Å; M107-D109 PolarHBondContact O-N 2.78Å; M107-Q110 WeakPolarHBondContact O-CA 3.32Å; M107-Q110 WeakPolarHBondContact O-CB 3.47Å; M107-Q110 PolarHBondContact O-N 3.19Å; M107-V111 PolarHBondContact O-N 2.9Å
108A96.1Very high96.1Very high14 Ų1450.6 Ų50.612%0.11626%0.264CS..Hα-helixtrans-50.9-48.9178.700000111.8C100 V103 V104 Q110 V111 I112C100-A108 HydrophobicContact CB-CB 4.09Å; V103-A108 HydrophobicContact CB-CB 4.46Å; V104-A108 PolarHBondContact O-N 3.32Å; A108-Q110 VanDerWaalsContact C-N 3.28Å; A108-Q110 PolarHBondContact O-N 3.09Å; A108-V111 PolarHBondContact O-N 3.41Å; A108-I112 WeakPolarHBondContact O-CB 3.34Å; A108-I112 WeakPolarHBondContact O-CG1 3.35Å; A108-I112 PolarHBondContact O-N 3.01Å
109D96Very high96.1Very high98 Ų9848.5 Ų48.552%0.52426%0.255SS..Hα-helixtrans-60.7-34.3176-77.2-1.8000113.5M107 R113M107-D109 VanDerWaalsContact C-N 3.28Å; M107-D109 PolarHBondContact O-N 2.78Å; D109-R113 WeakPolarHBondContact O-CB 3.38Å; D109-R113 VanDerWaalsContact O-CG 3.3Å; D109-R113 WeakPolarHBondContact O-CG 3.43Å; D109-R113 PolarHBondContact O-N 3.4Å
110Q97Very high96.1Very high55 Ų5556.6 Ų56.626%0.25729%0.286SS..Hα-helixtrans-70-44.3177.5177167.453.300111.2M107 A108 I112 R113 L114M107-Q110 WeakPolarHBondContact O-CA 3.32Å; M107-Q110 WeakPolarHBondContact O-CB 3.47Å; M107-Q110 PolarHBondContact O-N 3.19Å; A108-Q110 VanDerWaalsContact C-N 3.28Å; A108-Q110 PolarHBondContact O-N 3.09Å; Q110-I112 VanDerWaalsContact C-N 3.34Å; Q110-I112 PolarHBondContact O-N 3.47Å; Q110-R113 PolarHBondContact O-N 3.5Å; Q110-L114 HydrophobicContact CG-CD1 3.9Å; Q110-L114 HydrophobicContact CG-CG 4.39Å; Q110-L114 VanDerWaalsContact O-CG 3.28Å; Q110-L114 WeakPolarHBondContact O-CG 3.46Å; Q110-L114 PolarHBondContact O-N 3.25Å
111V98.1Very high96.1Very high22 Ų2256.9 Ų56.913%0.13329%0.29CS..Hα-helixtrans-59.5-47.8177.8173.40000110.3V66 L69 M96 M107 A108 R113 L114 F115V66-V111 HydrophobicContact CG1-CG1 3.79Å; V66-V111 HydrophobicContact CG2-CG1 4.34Å; L69-V111 HydrophobicContact CD2-CG1 4.15Å; M96-V111 HydrophobicContact CE-CG1 3.48Å; M96-V111 VanDerWaalsContact CE-CG1 3.48Å; M107-V111 PolarHBondContact O-N 2.9Å; A108-V111 PolarHBondContact O-N 3.41Å; V111-R113 PolarHBondContact O-N 3.38Å; V111-L114 PolarHBondContact O-N 2.82Å; V111-F115 PolarHBondContact O-N 3Å
112I97.8Very high96Very high25 Ų2558.2 Ų58.213%0.12830%0.298CS..Hα-helixtrans-58.9-44.8176.5-76.8-65.2000112.2R93 M96 E97 C100 A108 Q110 F115 D116R93-I112 PolarHBondContact NH1-O 3.2Å; R93-I112 VanDerWaalsContact NH1-O 3.08Å; M96-I112 HydrophobicContact CB-CD1 3.8Å; E97-I112 HydrophobicContact CG-CD1 4.2Å; C100-I112 HydrophobicContact CB-CD1 4.46Å; C100-I112 HydrophobicContact CB-CG1 4.2Å; A108-I112 WeakPolarHBondContact O-CB 3.34Å; A108-I112 WeakPolarHBondContact O-CG1 3.35Å; A108-I112 PolarHBondContact O-N 3.01Å; Q110-I112 VanDerWaalsContact C-N 3.34Å; Q110-I112 PolarHBondContact O-N 3.47Å; I112-F115 PolarHBondContact O-N 3.36Å; I112-D116 PolarHBondContact O-N 3.37Å
113R97.7Very high96.1Very high142 Ų14258.6 Ų58.654%0.53630%0.304SS..Hα-helixtrans-66.5-40.5178-79.1-171.3-62.7-94.3-3.5112.8D109 Q110 V111 F115 D116 E117D109-R113 WeakPolarHBondContact O-CB 3.38Å; D109-R113 VanDerWaalsContact O-CG 3.3Å; D109-R113 WeakPolarHBondContact O-CG 3.43Å; D109-R113 PolarHBondContact O-N 3.4Å; Q110-R113 PolarHBondContact O-N 3.5Å; V111-R113 PolarHBondContact O-N 3.38Å; R113-F115 VanDerWaalsContact C-N 3.33Å; R113-D116 PolarHBondContact O-N 2.91Å; R113-E117 VanDerWaalsContact O-CB 3.23Å; R113-E117 WeakPolarHBondContact O-CB 3.44Å; R113-E117 PolarHBondContact O-N 3.35Å
114L98.6Very high96.3Very high6 Ų663 Ų633%0.03132%0.321CS..Hα-helixtrans-61.3-44177.2-73.5163.4000111.1K62 M63 V66 Q110 V111 E117 F118K62-L114 HydrophobicContact CB-CD1 3.68Å; K62-L114 HydrophobicContact CB-CD2 4.31Å; M63-L114 HydrophobicContact CB-CD2 4.05Å; M63-L114 HydrophobicContact CE-CD2 4.43Å; V66-L114 HydrophobicContact CG1-CB 4.24Å; V66-L114 HydrophobicContact CG2-CD1 4.4Å; Q110-L114 HydrophobicContact CG-CD1 3.9Å; Q110-L114 HydrophobicContact CG-CG 4.39Å; Q110-L114 VanDerWaalsContact O-CG 3.28Å; Q110-L114 WeakPolarHBondContact O-CG 3.46Å; Q110-L114 PolarHBondContact O-N 3.25Å; V111-L114 PolarHBondContact O-N 2.82Å; L114-E117 PolarHBondContact O-N 3.02Å; L114-F118 PolarHBondContact O-N 2.93Å
115F98.6Very high96.6Very high0 Ų061.9 Ų61.90%031%0.311CS..Hα-helixtrans-60.4-51.1174.3173.9-94.2000111.8V66 A70 F89 E92 R93 M96 V111 I112 R113 E117 F118 E119V66-F115 HydrophobicContact CG1-CB 4.31Å; A70-F115 HydrophobicContact CB-CE2 4.49Å; F89-F115 HydrophobicContact CD2-CE1 4.43Å; F89-F115 HydrophobicContact CE2-CE1 4.01Å; E92-F115 HydrophobicContact CB-CE1 4.49Å; E92-F115 HydrophobicContact CB-CE2 4.04Å; E92-F115 HydrophobicContact CB-CZ 3.5Å; R93-F115 HydrophobicContact CB-CE1 4.25Å; M96-F115 HydrophobicContact CE-CB 3.91Å; M96-F115 HydrophobicContact CE-CD2 4.42Å; M96-F115 HydrophobicContact CE-CG 4.24Å; M96-F115 HydrophobicContact CG-CB 4.36Å; M96-F115 HydrophobicContact CG-CD1 3.94Å; M96-F115 HydrophobicContact CG-CD2 3.72Å; M96-F115 HydrophobicContact CG-CE1 4.19Å; M96-F115 HydrophobicContact CG-CE2 3.99Å; M96-F115 HydrophobicContact CG-CG 3.71Å; M96-F115 HydrophobicContact CG-CZ 4.22Å; M96-F115 HydrophobicContact SD-CD2 4.11Å; M96-F115 HydrophobicContact SD-CG 4.38Å; V111-F115 PolarHBondContact O-N 3Å; I112-F115 PolarHBondContact O-N 3.36Å; R113-F115 VanDerWaalsContact C-N 3.33Å; F115-E117 VanDerWaalsContact C-N 3.27Å; F115-E117 PolarHBondContact O-N 2.77Å; F115-F118 PolarHBondContact O-N 3.44Å; F115-E119 HydrophobicContact CD1-CG 4.41Å; F115-E119 HydrophobicContact CD2-CG 4.45Å; F115-E119 HydrophobicContact CE1-CG 3.88Å; F115-E119 HydrophobicContact CE2-CG 3.92Å; F115-E119 HydrophobicContact CZ-CG 3.59Å; F115-E119 PolarHBondContact O-N 3.28Å
116D98.1Very high97.2Very high20 Ų2057.7 Ų57.711%0.10728%0.277CS..Hα-helixtrans-61-36.7179.2-72.3-29.4000112.6R93 I112 R113 R120R93-D116 IonicContact CZ-OD1 3.43Å; R93-D116 IonicContact CZ-OD2 3.47Å; R93-D116 IonicContact NE-OD1 2.72Å; R93-D116 IonicContact NH1-OD1 3.78Å; R93-D116 PolarHBondContact NH1-OD1 3.49Å; R93-D116 IonicContact NH1-OD2 3.38Å; R93-D116 PolarHBondContact NH1-OD2 2.97Å; R93-D116 IonicContact NH2-OD1 3.18Å; R93-D116 IonicContact NH2-OD2 3.13Å; R93-D116 PolarHBondContact NH2-OD2 3.35Å; I112-D116 PolarHBondContact O-N 3.37Å; R113-D116 PolarHBondContact O-N 2.91Å; D116-R120 WeakPolarHBondContact O-CB 3.44Å; D116-R120 WeakPolarHBondContact O-CD 3.48Å; D116-R120 WeakPolarHBondContact O-CG 3.42Å; D116-R120 PolarHBondContact O-N 3.26Å
117E98.6Very high97.7Very high37 Ų3754.8 Ų54.817%0.17326%0.261CS..Hα-helixtrans-66.9-45.6178.9-170.1-175.6150.500111.5H59 M63 R113 L114 F115 R120 G121 T123 A126H59-E117 IonicContact CD2-OE1 3.36Å; H59-E117 IonicContact CD2-OE2 3.67Å; H59-E117 IonicContact CE1-OE2 3.41Å; H59-E117 PolarHBondContact CE1-OE2 3.03Å; H59-E117 VanDerWaalsContact CE1-OE2 3.3Å; H59-E117 IonicContact NE2-OE1 3.45Å; H59-E117 PolarHBondContact NE2-OE1 2.84Å; H59-E117 VanDerWaalsContact NE2-OE1 3.09Å; H59-E117 IonicContact NE2-OE2 3.09Å; H59-E117 PolarHBondContact NE2-OE2 3.41Å; M63-E117 HydrophobicContact CE-CB 4.05Å; M63-E117 VanDerWaalsContact CE-CD 3.41Å; M63-E117 HydrophobicContact CE-CG 3.8Å; M63-E117 VanDerWaalsContact CE-OE1 3.32Å; M63-E117 WeakPolarHBondContact CE-OE1 3.48Å; R113-E117 VanDerWaalsContact O-CB 3.23Å; R113-E117 WeakPolarHBondContact O-CB 3.44Å; R113-E117 PolarHBondContact O-N 3.35Å; L114-E117 PolarHBondContact O-N 3.02Å; F115-E117 VanDerWaalsContact C-N 3.27Å; F115-E117 PolarHBondContact O-N 2.77Å; E117-R120 PolarHBondContact O-N 3.42Å; E117-G121 PolarHBondContact O-N 3.39Å; E117-T123 HydrophobicContact CG-CG2 3.79Å; E117-T123 WeakPolarHBondContact CG-OG1 3.48Å; E117-T123 WeakPolarHBondContact OE1-CB 3.27Å; E117-T123 WeakPolarHBondContact OE1-CG2 3.48Å; E117-T123 PolarHBondContact OE1-OG1 3.1Å; E117-A126 HydrophobicContact CG-CB 4.25Å; E117-A126 VanDerWaalsContact O-CB 3.31Å; E117-A126 WeakPolarHBondContact O-CB 3.4Å
118F98.7Very high97.9Very high9 Ų951 Ų514%0.03924%0.242CC..Hα-helixtrans-58.4-50.9174.1179.8-92.9000111.3M63 H67 L114 F115 R120 G121 V129 R130 D133M63-F118 HydrophobicContact CG-CB 3.88Å; M63-F118 HydrophobicContact CG-CD2 4.14Å; M63-F118 HydrophobicContact CG-CG 4.45Å; M63-F118 HydrophobicContact SD-CB 3.85Å; M63-F118 HydrophobicContact SD-CD2 4Å; M63-F118 HydrophobicContact SD-CG 4.44Å; H67-F118 HydrophobicContact CB-CB 4.33Å; H67-F118 HydrophobicContact CB-CD1 3.72Å; H67-F118 HydrophobicContact CB-CD2 3.86Å; H67-F118 HydrophobicContact CB-CE1 3.9Å; H67-F118 HydrophobicContact CB-CE2 4.03Å; H67-F118 HydrophobicContact CB-CG 3.69Å; H67-F118 HydrophobicContact CB-CZ 4.05Å; H67-F118 AromaticContact CD2-CE1 3.58Å; H67-F118 AromaticContact CD2-CE2 3.85Å; H67-F118 AromaticContact CD2-CZ 3.31Å; H67-F118 WeakPolarHBondContact CD2-CZ 3.29Å; H67-F118 AromaticContact CG-CZ 3.91Å; L114-F118 PolarHBondContact O-N 2.93Å; F115-F118 PolarHBondContact O-N 3.44Å; F118-R120 VanDerWaalsContact C-N 3.31Å; F118-R120 PolarHBondContact O-N 2.86Å; F118-G121 WeakPolarHBondContact O-CA 3.41Å; F118-G121 PolarHBondContact O-N 2.9Å; F118-V129 HydrophobicContact CD2-CB 4.31Å; F118-V129 HydrophobicContact CD2-CG1 3.89Å; F118-V129 HydrophobicContact CE2-CB 4.41Å; F118-V129 HydrophobicContact CE2-CG1 3.85Å; F118-R130 HydrophobicContact CD2-CG 3.8Å; F118-R130 HydrophobicContact CE1-CG 4.33Å; F118-R130 HydrophobicContact CE2-CB 4.27Å; F118-R130 HydrophobicContact CE2-CG 3.39Å; F118-R130 HydrophobicContact CG-CG 4.43Å; F118-R130 HydrophobicContact CZ-CG 3.7Å; F118-R130 WeakPolarHBondContact O-CD 3.39Å; F118-R130 PolarHBondContact O-NH1 3.49Å; F118-D133 HydrophobicContact CZ-CB 4.47Å
119E97.8Very high98Very high45 Ų4550.4 Ų50.421%0.2124%0.237CC..Hα-helixtrans-60.6-40.2-178.1-77.8-58.4115.600112.3F89 F115 R130F89-E119 HydrophobicContact CD2-CB 3.9Å; F89-E119 HydrophobicContact CD2-CG 3.82Å; F89-E119 HydrophobicContact CE2-CB 3.73Å; F89-E119 HydrophobicContact CE2-CG 3.9Å; F115-E119 HydrophobicContact CD1-CG 4.41Å; F115-E119 HydrophobicContact CD2-CG 4.45Å; F115-E119 HydrophobicContact CE1-CG 3.88Å; F115-E119 HydrophobicContact CE2-CG 3.92Å; F115-E119 HydrophobicContact CZ-CG 3.59Å; F115-E119 PolarHBondContact O-N 3.28Å; E119-R130 PolarHBondContact O-NH1 2.94Å
120R97.3Very high98.1Very high170 Ų17049.2 Ų49.264%0.64223%0.225SC*.Hα-helixtrans-67.8-37.6174.1-72.5172.1-169.91756.1112.7D116 E117 F118 M122D116-R120 WeakPolarHBondContact O-CB 3.44Å; D116-R120 WeakPolarHBondContact O-CD 3.48Å; D116-R120 WeakPolarHBondContact O-CG 3.42Å; D116-R120 PolarHBondContact O-N 3.26Å; E117-R120 PolarHBondContact O-N 3.42Å; F118-R120 VanDerWaalsContact C-N 3.31Å; F118-R120 PolarHBondContact O-N 2.86Å; R120-M122 VanDerWaalsContact C-N 3.32Å; R120-M122 HydrophobicContact CB-CE 4.27Å; R120-M122 HydrophobicContact CB-CG 4.38Å; R120-M122 WeakPolarHBondContact O-CG 3.29Å; R120-M122 PolarHBondContact O-N 3.47Å
121G97.4Very high98.2Very high17 Ų1746.6 Ų46.618%0.17521%0.213CC..THydrogen-bonded Turntrans65.329.4174.200000114.9E117 F118 M127E117-G121 PolarHBondContact O-N 3.39Å; F118-G121 WeakPolarHBondContact O-CA 3.41Å; F118-G121 PolarHBondContact O-N 2.9Å; G121-M127 WeakPolarHBondContact O-CG 3.35Å
122M96.1Very high98.2Very high143 Ų14345.6 Ų45.670%0.70421%0.207SC*.  trans-104.9-21.7-173.6-60.5-169.1-60.100114.4R120R120-M122 VanDerWaalsContact C-N 3.32Å; R120-M122 HydrophobicContact CB-CE 4.27Å; R120-M122 HydrophobicContact CB-CG 4.38Å; R120-M122 WeakPolarHBondContact O-CG 3.29Å; R120-M122 PolarHBondContact O-N 3.47Å
123T98.4Very high98.3Very high50 Ų5045.9 Ų45.931%0.30721%0.208SC..SBendtrans-82.7159.7177.262.60000110.4E117 E125 A126 M127E117-T123 HydrophobicContact CG-CG2 3.79Å; E117-T123 WeakPolarHBondContact CG-OG1 3.48Å; E117-T123 WeakPolarHBondContact OE1-CB 3.27Å; E117-T123 WeakPolarHBondContact OE1-CG2 3.48Å; E117-T123 PolarHBondContact OE1-OG1 3.1Å; T123-E125 VanDerWaalsContact C-N 3.25Å; T123-E125 PolarHBondContact O-N 3.14Å; T123-A126 PolarHBondContact O-N 3.46Å; T123-A126 WeakPolarHBondContact OG1-CB 3.3Å; T123-A126 PolarHBondContact OG1-N 3.37Å; T123-M127 WeakPolarHBondContact O-CB 3.35Å; T123-M127 WeakPolarHBondContact O-CE 3.39Å; T123-M127 VanDerWaalsContact O-CG 3.32Å; T123-M127 WeakPolarHBondContact O-CG 3.49Å; T123-M127 PolarHBondContact O-N 3.41Å
124K98.1Very high98.3Very high121 Ų12141.2 Ų41.253%0.52619%0.192SC..Hα-helixtrans-61.7-40177.4-69-175.3176-173.90111.3V55 M127 L128V55-K124 HydrophobicContact CG1-CB 3.78Å; K124-M127 HydrophobicContact CG-CE 4.31Å; K124-M127 PolarHBondContact O-N 2.93Å; K124-L128 WeakPolarHBondContact O-CB 3.45Å; K124-L128 PolarHBondContact O-N 3.08Å
125E98.7Very high98.3Very high39 Ų3941.8 Ų41.818%0.18219%0.194CC..Hα-helixtrans-59.5-51.4174.5-67.975.8-172.300110.8V55 D56 H59 M63 T123 M127 L128 V129V55-E125 WeakPolarHBondContact CA-OE1 3.49Å; V55-E125 HydrophobicContact CB-CG 4.19Å; V55-E125 HydrophobicContact CG1-CG 4.44Å; D56-E125 PolarHBondContact N-OE1 2.81Å; D56-E125 VanDerWaalsContact N-OE1 3.14Å; H59-E125 HydrophobicContact CB-CG 4.39Å; M63-E125 HydrophobicContact CE-CB 4.21Å; T123-E125 VanDerWaalsContact C-N 3.25Å; T123-E125 PolarHBondContact O-N 3.14Å; E125-M127 PolarHBondContact O-N 3.48Å; E125-L128 PolarHBondContact O-N 3.06Å; E125-V129 VanDerWaalsContact O-CG2 3.27Å; E125-V129 WeakPolarHBondContact O-CG2 3.25Å; E125-V129 PolarHBondContact O-N 3.28Å
126A98.7Very high98.3Very high0 Ų041.8 Ų41.80%019%0.194CC..Hα-helixtrans-65-40.4179.200000112.8M63 E117 T123 L128 V129 R130M63-A126 HydrophobicContact CE-CB 4.21Å; M63-A126 HydrophobicContact SD-CB 3.99Å; E117-A126 HydrophobicContact CG-CB 4.25Å; E117-A126 VanDerWaalsContact O-CB 3.31Å; E117-A126 WeakPolarHBondContact O-CB 3.4Å; T123-A126 PolarHBondContact O-N 3.46Å; T123-A126 WeakPolarHBondContact OG1-CB 3.3Å; T123-A126 PolarHBondContact OG1-N 3.37Å; A126-L128 VanDerWaalsContact C-N 3.34Å; A126-L128 PolarHBondContact O-N 2.93Å; A126-V129 PolarHBondContact O-N 3.18Å; A126-R130 VanDerWaalsContact O-CB 3.29Å; A126-R130 WeakPolarHBondContact O-CB 3.26Å; A126-R130 WeakPolarHBondContact O-CG 3.28Å; A126-R130 PolarHBondContact O-N 2.89Å
127M98.5Very high98.3Very high57 Ų5742.3 Ų42.328%0.28120%0.196SC..Hα-helixtrans-60.8-44.9175.1-72.4-176.2-7200111.2G121 T123 K124 E125 D131 V166G121-M127 WeakPolarHBondContact O-CG 3.35Å; T123-M127 WeakPolarHBondContact O-CB 3.35Å; T123-M127 WeakPolarHBondContact O-CE 3.39Å; T123-M127 VanDerWaalsContact O-CG 3.32Å; T123-M127 WeakPolarHBondContact O-CG 3.49Å; T123-M127 PolarHBondContact O-N 3.41Å; K124-M127 HydrophobicContact CG-CE 4.31Å; K124-M127 PolarHBondContact O-N 2.93Å; E125-M127 PolarHBondContact O-N 3.48Å; M127-D131 PolarHBondContact O-N 2.9Å; M127-V166 HydrophobicContact SD-CG1 3.97Å
128L98.8Very high98.2Very high1 Ų140.5 Ų40.51%0.00519%0.188CC..Hα-helixtrans-64.2-47.3176.7177.264.9000112M45 V48 V55 K124 E125 A126 R130 D131 L132 T167 V170M45-L128 HydrophobicContact CE-CD2 3.76Å; M45-L128 HydrophobicContact SD-CD2 3.83Å; V48-L128 HydrophobicContact CG1-CD2 3.95Å; V48-L128 HydrophobicContact CG2-CD1 4.46Å; V55-L128 HydrophobicContact CB-CD2 4.5Å; V55-L128 HydrophobicContact CG1-CD2 4.27Å; V55-L128 HydrophobicContact CG2-CD2 3.82Å; K124-L128 WeakPolarHBondContact O-CB 3.45Å; K124-L128 PolarHBondContact O-N 3.08Å; E125-L128 PolarHBondContact O-N 3.06Å; A126-L128 VanDerWaalsContact C-N 3.34Å; A126-L128 PolarHBondContact O-N 2.93Å; L128-R130 VanDerWaalsContact C-N 3.31Å; L128-R130 PolarHBondContact O-N 3.37Å; L128-D131 WeakPolarHBondContact O-CB 3.26Å; L128-D131 PolarHBondContact O-N 3.38Å; L128-D131 VanDerWaalsContact O-N 3.1Å; L128-L132 HydrophobicContact CG-CD1 4.47Å; L128-L132 WeakPolarHBondContact O-CG 3.35Å; L128-L132 PolarHBondContact O-N 3.38Å; L128-T167 HydrophobicContact CB-CG2 4.14Å; L128-T167 HydrophobicContact CD1-CG2 4.01Å; L128-V170 HydrophobicContact CD1-CG2 3.99Å
129V98.8Very high98.2Very high1 Ų142 Ų421%0.00620%0.195CC..Hα-helixtrans-66.4-34.9-178.3178.90000111.2M41 C60 M63 A64 F118 E125 A126 D131 L132 D133M41-V129 HydrophobicContact CE-CG1 3.94Å; C60-V129 HydrophobicContact CB-CG2 3.85Å; M63-V129 HydrophobicContact CB-CG1 4.44Å; M63-V129 HydrophobicContact CB-CG2 4.27Å; M63-V129 HydrophobicContact CG-CB 4.47Å; M63-V129 HydrophobicContact CG-CG1 4.19Å; M63-V129 HydrophobicContact CG-CG2 4.47Å; M63-V129 HydrophobicContact SD-CB 3.96Å; M63-V129 HydrophobicContact SD-CG1 4.29Å; M63-V129 HydrophobicContact SD-CG2 4.05Å; A64-V129 HydrophobicContact CB-CG1 4.12Å; F118-V129 HydrophobicContact CD2-CB 4.31Å; F118-V129 HydrophobicContact CD2-CG1 3.89Å; F118-V129 HydrophobicContact CE2-CB 4.41Å; F118-V129 HydrophobicContact CE2-CG1 3.85Å; E125-V129 VanDerWaalsContact O-CG2 3.27Å; E125-V129 WeakPolarHBondContact O-CG2 3.25Å; E125-V129 PolarHBondContact O-N 3.28Å; A126-V129 PolarHBondContact O-N 3.18Å; V129-D131 VanDerWaalsContact C-N 3.32Å; V129-D131 PolarHBondContact O-N 2.92Å; V129-L132 PolarHBondContact O-N 3.15Å; V129-D133 PolarHBondContact O-N 3.37Å
130R98.6Very high98.2Very high73 Ų7340.5 Ų40.528%0.27519%0.188SC..Hα-helixtrans-69.6-27.1172-71.5177.283134.74113.7F118 E119 A126 L128 K134F118-R130 HydrophobicContact CD2-CG 3.8Å; F118-R130 HydrophobicContact CE1-CG 4.33Å; F118-R130 HydrophobicContact CE2-CB 4.27Å; F118-R130 HydrophobicContact CE2-CG 3.39Å; F118-R130 HydrophobicContact CG-CG 4.43Å; F118-R130 HydrophobicContact CZ-CG 3.7Å; F118-R130 WeakPolarHBondContact O-CD 3.39Å; F118-R130 PolarHBondContact O-NH1 3.49Å; E119-R130 PolarHBondContact O-NH1 2.94Å; A126-R130 VanDerWaalsContact O-CB 3.29Å; A126-R130 WeakPolarHBondContact O-CB 3.26Å; A126-R130 WeakPolarHBondContact O-CG 3.28Å; A126-R130 PolarHBondContact O-N 2.89Å; L128-R130 VanDerWaalsContact C-N 3.31Å; L128-R130 PolarHBondContact O-N 3.37Å; R130-K134 PolarHBondContact O-N 3.18Å; R130-K134 PolarHBondContact O-NZ 3.22Å
131D98.6Very high98.2Very high1 Ų132.4 Ų32.41%0.00516%0.158CC..Hα-helixtrans-71.9-42.7170-86.21.8000110.4M127 L128 V129 K134 F135 F165 V166 T167 V170M127-D131 PolarHBondContact O-N 2.9Å; L128-D131 WeakPolarHBondContact O-CB 3.26Å; L128-D131 PolarHBondContact O-N 3.38Å; L128-D131 VanDerWaalsContact O-N 3.1Å; V129-D131 VanDerWaalsContact C-N 3.32Å; V129-D131 PolarHBondContact O-N 2.92Å; D131-K134 PolarHBondContact O-N 3.43Å; D131-F135 VanDerWaalsContact O-CB 3.25Å; D131-F135 WeakPolarHBondContact O-CB 3.48Å; D131-F135 PolarHBondContact O-N 2.81Å; D131-F165 HydrophobicContact CB-CD1 4.13Å; D131-F165 WeakPolarHBondContact O-CE1 3.34Å; D131-F165 WeakPolarHBondContact OD1-CA 3.46Å; D131-V166 PolarHBondContact OD1-N 2.97Å; D131-V166 PolarHBondContact OD2-N 2.85Å; D131-T167 WeakPolarHBondContact OD2-CB 3.39Å; D131-T167 WeakPolarHBondContact OD2-CG2 3.43Å; D131-T167 PolarHBondContact OD2-N 3.46Å; D131-T167 PolarHBondContact OD2-OG1 3.16Å; D131-V170 HydrophobicContact CB-CB 3.83Å; D131-V170 HydrophobicContact CB-CG1 3.94Å; D131-V170 HydrophobicContact CB-CG2 3.81Å
132L98.7Very high98.1Very high1 Ų132.5 Ų32.51%0.00515%0.154CC..Hα-helixtrans-61.8-41.7176-67.1178.5000112.2L44 M45 L128 V129 F135 D136 V170 W173L44-L132 HydrophobicContact CB-CD2 4.1Å; M45-L132 HydrophobicContact SD-CD1 4.08Å; L128-L132 HydrophobicContact CG-CD1 4.47Å; L128-L132 WeakPolarHBondContact O-CG 3.35Å; L128-L132 PolarHBondContact O-N 3.38Å; V129-L132 PolarHBondContact O-N 3.15Å; L132-F135 PolarHBondContact O-N 3.38Å; L132-D136 WeakPolarHBondContact O-CB 3.37Å; L132-D136 PolarHBondContact O-N 3.05Å; L132-V170 HydrophobicContact CD2-CG2 3.99Å; L132-W173 HydrophobicContact CD2-CE3 4.49Å; L132-W173 HydrophobicContact CD2-CZ3 3.74Å
133D98.7Very high98.1Very high30 Ų3028.8 Ų28.816%0.1613%0.134CC..Hα-helixtrans-52.7-55.6173.5163.637.1000111.6H37 M41 F118 V129 F135 D136 M137H37-D133 IonicContact CE1-OD1 3.01Å; H37-D133 PolarHBondContact CE1-OD1 2.89Å; H37-D133 IonicContact NE2-OD1 3.55Å; H37-D133 PolarHBondContact NE2-OD1 3.48Å; H37-D133 VanDerWaalsContact NE2-OD1 3.09Å; M41-D133 HydrophobicContact CE-CB 3.63Å; M41-D133 HydrophobicContact SD-CB 4.07Å; F118-D133 HydrophobicContact CZ-CB 4.47Å; V129-D133 PolarHBondContact O-N 3.37Å; D133-F135 VanDerWaalsContact C-N 3.32Å; D133-F135 PolarHBondContact O-N 3.36Å; D133-D136 PolarHBondContact O-N 2.66Å; D133-M137 PolarHBondContact O-N 3.35Å
134K98.3Very high98.1Very high44 Ų4427.3 Ų27.319%0.19112%0.123CC..Hα-helixtrans-67.3-32.8178.8-63.1-175.3-149.676.30113.1R130 D131 L138 T161 V164 F165R130-K134 PolarHBondContact O-N 3.18Å; R130-K134 PolarHBondContact O-NZ 3.22Å; D131-K134 PolarHBondContact O-N 3.43Å; K134-L138 WeakPolarHBondContact O-CB 3.42Å; K134-L138 PolarHBondContact O-N 2.88Å; K134-T161 HydrophobicContact CB-CG2 4.22Å; K134-V164 HydrophobicContact CD-CG2 3.63Å; K134-F165 HydrophobicContact CB-CE1 3.78Å; K134-F165 HydrophobicContact CB-CZ 4.23Å
135F98.6Very high98Very high18 Ų1821.5 Ų21.58%0.07910%0.098CC..Hα-helixtrans-68.9-41.4178.8173.5-94.8000111.2L44 D131 L132 D133 L138 E139 F165 V170 W173 A174 V177L44-F135 HydrophobicContact CD1-CD1 3.79Å; L44-F135 HydrophobicContact CD1-CE1 4.07Å; L44-F135 HydrophobicContact CD2-CE1 4.08Å; D131-F135 VanDerWaalsContact O-CB 3.25Å; D131-F135 WeakPolarHBondContact O-CB 3.48Å; D131-F135 PolarHBondContact O-N 2.81Å; L132-F135 PolarHBondContact O-N 3.38Å; D133-F135 VanDerWaalsContact C-N 3.32Å; D133-F135 PolarHBondContact O-N 3.36Å; F135-L138 HydrophobicContact CD2-CD2 4.35Å; F135-L138 WeakPolarHBondContact O-CB 3.4Å; F135-L138 PolarHBondContact O-N 3.19Å; F135-E139 PolarHBondContact O-N 3.2Å; F135-F165 HydrophobicContact CB-CE1 3.98Å; F135-F165 HydrophobicContact CB-CZ 4.48Å; F135-V170 HydrophobicContact CB-CG1 3.61Å; F135-V170 HydrophobicContact CD2-CG1 4.1Å; F135-V170 HydrophobicContact CG-CG1 4.01Å; F135-W173 HydrophobicContact CD1-CE3 4.2Å; F135-W173 HydrophobicContact CD2-CB 3.96Å; F135-W173 HydrophobicContact CE1-CE3 4.01Å; F135-W173 HydrophobicContact CE2-CB 3.38Å; F135-W173 HydrophobicContact CE2-CE3 4.49Å; F135-W173 HydrophobicContact CE2-CG 4.49Å; F135-W173 HydrophobicContact CZ-CB 3.82Å; F135-W173 HydrophobicContact CZ-CE3 4.17Å; F135-A174 HydrophobicContact CD2-CB 4.42Å; F135-V177 HydrophobicContact CE2-CG2 3.68Å; F135-V177 HydrophobicContact CZ-CG2 4.08Å
136D98.7Very high97.8Very high0 Ų025.9 Ų25.90%012%0.117CC..Hα-helixtrans-58.5-48.7175.3-16684.8000110.8H37 R40 M41 L132 D133 L138 E139 Q140H37-D136 IonicContact CE1-OD2 3.76Å; H37-D136 IonicContact CG-OD2 2.58Å; H37-D136 IonicContact ND1-OD2 2.88Å; H37-D136 PolarHBondContact ND1-OD2 2.92Å; R40-D136 VanDerWaalsContact CB-OD1 3.26Å; R40-D136 WeakPolarHBondContact CB-OD1 3.34Å; R40-D136 VanDerWaalsContact CG-OD1 3.25Å; R40-D136 WeakPolarHBondContact CG-OD1 3.25Å; R40-D136 IonicContact CZ-OD1 2.75Å; R40-D136 IonicContact CZ-OD2 3.34Å; R40-D136 IonicContact NE-OD1 2.91Å; R40-D136 PolarHBondContact NE-OD1 2.85Å; R40-D136 IonicContact NE-OD2 3.33Å; R40-D136 VanDerWaalsContact NH2-CG 3.32Å; R40-D136 PolarHBondContact NH2-O 3.21Å; R40-D136 IonicContact NH2-OD1 3.98Å; R40-D136 PolarHBondContact NH2-OD1 3.3Å; R40-D136 IonicContact NH2-OD2 2.9Å; R40-D136 PolarHBondContact NH2-OD2 3.24Å; M41-D136 HydrophobicContact CG-CB 3.98Å; L132-D136 WeakPolarHBondContact O-CB 3.37Å; L132-D136 PolarHBondContact O-N 3.05Å; D133-D136 PolarHBondContact O-N 2.66Å; D136-L138 VanDerWaalsContact C-N 3.32Å; D136-L138 PolarHBondContact O-N 3.19Å; D136-E139 PolarHBondContact O-N 3.01Å; D136-Q140 VanDerWaalsContact O-CB 3.26Å; D136-Q140 WeakPolarHBondContact O-CB 3.35Å; D136-Q140 PolarHBondContact O-N 2.95Å
137M98.1Very high97.6Very high31 Ų3131.7 Ų31.715%0.15315%0.148CC..Hα-helixtrans-58-42174-178.8-170.570.600112.7W23 D133 Q140 A141 F157 T161W23-M137 HydrophobicContact CH2-CG 4Å; W23-M137 WeakPolarHBondContact CH2-O 3.37Å; W23-M137 HydrophobicContact CZ2-CG 3.92Å; D133-M137 PolarHBondContact O-N 3.35Å; M137-Q140 PolarHBondContact O-N 3.18Å; M137-A141 PolarHBondContact O-N 2.93Å; M137-F157 HydrophobicContact CE-CD1 4.32Å; M137-F157 HydrophobicContact CG-CD1 3.91Å; M137-F157 HydrophobicContact SD-CD1 3.74Å; M137-F157 HydrophobicContact SD-CE1 4.23Å; M137-T161 HydrophobicContact CE-CG2 3.59Å
138L97.4Very high97.5Very high0 Ų031.3 Ų31.30%015%0.145CC..Hα-helixtrans-62.8-50.6178.9170.777.7000111.9K134 F135 D136 Q140 A141 M142 L158 F165 A174 V177K134-L138 WeakPolarHBondContact O-CB 3.42Å; K134-L138 PolarHBondContact O-N 2.88Å; F135-L138 HydrophobicContact CD2-CD2 4.35Å; F135-L138 WeakPolarHBondContact O-CB 3.4Å; F135-L138 PolarHBondContact O-N 3.19Å; D136-L138 VanDerWaalsContact C-N 3.32Å; D136-L138 PolarHBondContact O-N 3.19Å; L138-Q140 VanDerWaalsContact C-N 3.31Å; L138-A141 PolarHBondContact O-N 3.12Å; L138-M142 PolarHBondContact O-N 3.37Å; L138-L158 HydrophobicContact CD1-CB 4.1Å; L138-L158 HydrophobicContact CD1-CD2 4.19Å; L138-L158 HydrophobicContact CD1-CG 3.69Å; L138-F165 HydrophobicContact CD2-CZ 4.27Å; L138-A174 HydrophobicContact CD2-CB 3.87Å; L138-V177 HydrophobicContact CD2-CB 4.02Å; L138-V177 HydrophobicContact CD2-CG1 4.01Å; L138-V177 HydrophobicContact CD2-CG2 4.46Å; L138-V177 HydrophobicContact CG-CB 4.48Å; L138-V177 HydrophobicContact CG-CG1 3.91Å
139E97.7Very high97.2Very high40 Ų4037.8 Ų37.819%0.18718%0.18CC..Hα-helixtrans-65.3-39.5178.8-176.468.3170.800110.3F135 D136 A141 M142 E143 V177F135-E139 PolarHBondContact O-N 3.2Å; D136-E139 PolarHBondContact O-N 3.01Å; E139-A141 VanDerWaalsContact C-N 3.32Å; E139-A141 PolarHBondContact O-N 2.72Å; E139-M142 WeakPolarHBondContact O-CB 3.41Å; E139-M142 PolarHBondContact O-N 3.23Å; E139-M142 VanDerWaalsContact O-N 3.12Å; E139-E143 WeakPolarHBondContact O-CG 3.45Å; E139-E143 PolarHBondContact O-N 3.31Å; E139-V177 VanDerWaalsContact OE2-CG1 3.24Å; E139-V177 WeakPolarHBondContact OE2-CG1 3.46Å; E139-V177 WeakPolarHBondContact OE2-CG2 3.24Å
140Q98.3Very high96.9Very high14 Ų1438.7 Ų38.77%0.06518%0.183CC..Hα-helixtrans-60.7-39.3178.1-166.857.570.400112.9W23 E32 R40 D136 M137 L138 M142 E143 Y144W23-Q140 HydrophobicContact CH2-CB 4.48Å; W23-Q140 HydrophobicContact CZ2-CB 3.8Å; W23-Q140 HydrophobicContact CZ2-CG 3.85Å; E32-Q140 PolarHBondContact OE2-OE1 2.93Å; R40-Q140 VanDerWaalsContact CZ-OE1 3.26Å; D136-Q140 VanDerWaalsContact O-CB 3.26Å; D136-Q140 WeakPolarHBondContact O-CB 3.35Å; D136-Q140 PolarHBondContact O-N 2.95Å; M137-Q140 PolarHBondContact O-N 3.18Å; L138-Q140 VanDerWaalsContact C-N 3.31Å; Q140-M142 VanDerWaalsContact C-N 3.34Å; Q140-M142 PolarHBondContact O-N 3.11Å; Q140-E143 PolarHBondContact NE2-OE2 3.46Å; Q140-E143 PolarHBondContact O-N 2.89Å; Q140-E143 PolarHBondContact OE1-OE2 3.44Å; Q140-Y144 HydrophobicContact CG-CD2 3.84Å; Q140-Y144 HydrophobicContact CG-CE2 3.34Å; Q140-Y144 VanDerWaalsContact O-CD2 3.3Å; Q140-Y144 WeakPolarHBondContact O-CD2 3.34Å; Q140-Y144 PolarHBondContact O-N 2.85Å
141A97.4Very high96.6Very high0 Ų038.5 Ų38.50%019%0.191CC..Hα-helixtrans-58.4-46.9174.400000111.2W23 M137 L138 E139 E143 Y144 E145 L154 F157 L158W23-A141 HydrophobicContact CH2-CB 3.8Å; W23-A141 HydrophobicContact CZ3-CB 4.1Å; M137-A141 PolarHBondContact O-N 2.93Å; L138-A141 PolarHBondContact O-N 3.12Å; E139-A141 VanDerWaalsContact C-N 3.32Å; E139-A141 PolarHBondContact O-N 2.72Å; A141-E143 PolarHBondContact O-N 3.07Å; A141-Y144 PolarHBondContact O-N 2.72Å; A141-E145 PolarHBondContact O-N 2.9Å; A141-L154 HydrophobicContact CB-CB 4.15Å; A141-L154 HydrophobicContact CB-CD1 4.37Å; A141-F157 HydrophobicContact CB-CB 3.88Å; A141-F157 HydrophobicContact CB-CG 4.43Å; A141-L158 HydrophobicContact CB-CD1 4.26Å
142M94.9Very high96.2Very high19 Ų1940 Ų409%0.09421%0.206CC..Hα-helixtrans-62.6-43177.7-175.7-173.6173.100111.5L138 E139 Q140 E145 K146 V177 R180 Y181 F184L138-M142 PolarHBondContact O-N 3.37Å; E139-M142 WeakPolarHBondContact O-CB 3.41Å; E139-M142 PolarHBondContact O-N 3.23Å; E139-M142 VanDerWaalsContact O-N 3.12Å; Q140-M142 VanDerWaalsContact C-N 3.34Å; Q140-M142 PolarHBondContact O-N 3.11Å; M142-E145 PolarHBondContact O-N 3.33Å; M142-K146 WeakPolarHBondContact O-CB 3.43Å; M142-K146 PolarHBondContact O-N 3.39Å; M142-V177 HydrophobicContact SD-CG1 4.17Å; M142-R180 HydrophobicContact CE-CB 3.59Å; M142-R180 HydrophobicContact SD-CB 4.06Å; M142-Y181 HydrophobicContact CB-CD2 4.38Å; M142-Y181 HydrophobicContact CG-CD2 4.19Å; M142-F184 HydrophobicContact CE-CB 4.4Å
143E96.8Very high96Very high64 Ų6445.7 Ų45.730%0.29923%0.233SC..Hα-helixtrans-60.5-44.4176.7-72.6177.7170.100111.9R40 E139 Q140 A141 K146 N147R40-E143 IonicContact NH1-OE1 2.82Å; R40-E143 PolarHBondContact NH1-OE1 3.04Å; R40-E143 IonicContact NH1-OE2 2.72Å; R40-E143 PolarHBondContact NH1-OE2 2.93Å; E139-E143 WeakPolarHBondContact O-CG 3.45Å; E139-E143 PolarHBondContact O-N 3.31Å; Q140-E143 PolarHBondContact NE2-OE2 3.46Å; Q140-E143 PolarHBondContact O-N 2.89Å; Q140-E143 PolarHBondContact OE1-OE2 3.44Å; A141-E143 PolarHBondContact O-N 3.07Å; E143-K146 PolarHBondContact O-N 3.16Å; E143-N147 WeakPolarHBondContact O-CB 3.36Å; E143-N147 PolarHBondContact O-N 3.36Å; E143-N147 PolarHBondContact O-ND2 3.17Å
144Y97.8Very high95.8Very high19 Ų1944.3 Ų44.38%0.07523%0.226CC..Hα-helixtrans-64.3-46.6177.8-76.3-45.2000112.5W23 V28 E32 Q140 A141 K146 N147 E148 L154W23-Y144 HydrophobicContact CB-CE2 4.4Å; W23-Y144 AromaticContact CD1-CE2 3.7Å; W23-Y144 AromaticContact CD2-CD2 3.95Å; W23-Y144 HydrophobicContact CD2-CD2 3.95Å; W23-Y144 AromaticContact CD2-CE2 3.65Å; W23-Y144 HydrophobicContact CD2-CE2 3.65Å; W23-Y144 AromaticContact CE2-CE2 3.78Å; W23-Y144 HydrophobicContact CE3-CD2 4.03Å; W23-Y144 HydrophobicContact CE3-CE2 4.23Å; W23-Y144 HydrophobicContact CG-CD2 4.35Å; W23-Y144 AromaticContact CG-CE2 3.68Å; W23-Y144 HydrophobicContact CG-CE2 3.68Å; W23-Y144 HydrophobicContact CZ2-CE2 4.48Å; W23-Y144 HydrophobicContact CZ3-CD2 4.44Å; W23-Y144 AromaticContact NE1-CE2 3.76Å; V28-Y144 HydrophobicContact CG1-CD1 3.56Å; V28-Y144 HydrophobicContact CG1-CD2 4.1Å; V28-Y144 HydrophobicContact CG1-CE1 3.49Å; V28-Y144 VanDerWaalsContact CG1-CE1 3.49Å; V28-Y144 HydrophobicContact CG1-CE2 3.98Å; V28-Y144 HydrophobicContact CG1-CG 3.93Å; V28-Y144 HydrophobicContact CG2-CD1 4.49Å; V28-Y144 HydrophobicContact CG2-CD2 3.82Å; V28-Y144 HydrophobicContact CG2-CE2 4.16Å; V28-Y144 HydrophobicContact CG2-CG 4.02Å; E32-Y144 WeakPolarHBondContact CB-OH 3.27Å; E32-Y144 PolarHBondContact N-OH 3.32Å; Q140-Y144 HydrophobicContact CG-CD2 3.84Å; Q140-Y144 HydrophobicContact CG-CE2 3.34Å; Q140-Y144 VanDerWaalsContact O-CD2 3.3Å; Q140-Y144 WeakPolarHBondContact O-CD2 3.34Å; Q140-Y144 PolarHBondContact O-N 2.85Å; A141-Y144 PolarHBondContact O-N 2.72Å; Y144-K146 VanDerWaalsContact C-N 3.28Å; Y144-K146 PolarHBondContact O-N 2.73Å; Y144-N147 PolarHBondContact O-N 3.42Å; Y144-E148 VanDerWaalsContact O-CB 3.3Å; Y144-E148 WeakPolarHBondContact O-CB 3.47Å; Y144-E148 WeakPolarHBondContact O-CG 3.36Å; Y144-E148 PolarHBondContact O-N 3.17Å; Y144-L154 HydrophobicContact CD2-CD1 4.36Å; Y144-L154 HydrophobicContact CG-CD1 4.48Å
145E95.5Very high95.6Very high0 Ų044.2 Ų44.20%022%0.224CC..Hα-helixtrans-59.9-42178-69.9-166.7174.300112.1A141 M142 N149 R150 G152 E153 L154 R155 Y181 F184A141-E145 PolarHBondContact O-N 2.9Å; M142-E145 PolarHBondContact O-N 3.33Å; E145-N149 WeakPolarHBondContact O-CA 3.45Å; E145-N149 PolarHBondContact O-N 2.91Å; E145-R150 HydrophobicContact CB-CG 4.48Å; E145-R150 WeakPolarHBondContact CG-O 3.35Å; E145-R150 PolarHBondContact O-N 3.46Å; E145-G152 VanDerWaalsContact OE1-C 3.24Å; E145-G152 WeakPolarHBondContact OE1-CA 3.44Å; E145-G152 PolarHBondContact OE1-N 2.91Å; E145-G152 PolarHBondContact OE2-N 3.31Å; E145-E153 PolarHBondContact OE1-N 3.43Å; E145-E153 VanDerWaalsContact OE1-N 3.14Å; E145-L154 HydrophobicContact CG-CB 3.88Å; E145-L154 HydrophobicContact CG-CD1 4.15Å; E145-L154 HydrophobicContact CG-CG 4Å; E145-L154 VanDerWaalsContact OE1-CA 3.3Å; E145-L154 WeakPolarHBondContact OE1-CA 3.3Å; E145-L154 WeakPolarHBondContact OE1-CB 3.21Å; E145-L154 PolarHBondContact OE1-N 3.12Å; E145-R155 PolarHBondContact OE1-N 3.35Å; E145-Y181 PolarHBondContact OE1-OH 3.36Å; E145-Y181 WeakPolarHBondContact OE2-CE2 3.33Å; E145-Y181 PolarHBondContact OE2-OH 3.27Å; E145-F184 HydrophobicContact CB-CE1 3.74Å; E145-F184 HydrophobicContact CB-CZ 4.2Å
146K94.5Very high95.4Very high131 Ų13146.6 Ų46.657%0.5724%0.243SC*.Hα-helixtrans-67.1-47.4179-175-179.8177.5-177.10112M142 E143 Y144 N149 F184M142-K146 WeakPolarHBondContact O-CB 3.43Å; M142-K146 PolarHBondContact O-N 3.39Å; E143-K146 PolarHBondContact O-N 3.16Å; Y144-K146 VanDerWaalsContact C-N 3.28Å; Y144-K146 PolarHBondContact O-N 2.73Å; K146-N149 PolarHBondContact O-N 3.27Å; K146-F184 HydrophobicContact CB-CE2 4.15Å; K146-F184 HydrophobicContact CB-CZ 4.13Å; K146-F184 HydrophobicContact CG-CD2 4.49Å; K146-F184 HydrophobicContact CG-CE2 4.2Å
147N95.8Very high95.2Very high121 Ų12147.8 Ų47.865%0.64725%0.248SC*.Hα-helixtrans-74-29.7-174.7-68.6-22000112.7E143 Y144E143-N147 WeakPolarHBondContact O-CB 3.36Å; E143-N147 PolarHBondContact O-N 3.36Å; E143-N147 PolarHBondContact O-ND2 3.17Å; Y144-N147 PolarHBondContact O-N 3.42Å
148E96.1Very high95Very high50 Ų5046.3 Ų46.323%0.23424%0.241CC..Hα-helixtrans-98.22.1178.6-58.6-177.1156.800112.7R29 Y144 R150R29-E148 WeakPolarHBondContact CB-OE1 3.36Å; R29-E148 PolarHBondContact N-OE1 2.83Å; Y144-E148 VanDerWaalsContact O-CB 3.3Å; Y144-E148 WeakPolarHBondContact O-CB 3.47Å; Y144-E148 WeakPolarHBondContact O-CG 3.36Å; Y144-E148 PolarHBondContact O-N 3.17Å; E148-R150 HydrophobicContact CB-CG 4.05Å; E148-R150 IonicContact OE2-CZ 3.27Å; E148-R150 IonicContact OE2-NE 3.56Å; E148-R150 PolarHBondContact OE2-NE 2.87Å; E148-R150 IonicContact OE2-NH2 3.73Å; E148-R150 PolarHBondContact OE2-NH2 3.43Å
149N92.4Very high94.8Very high136 Ų13647.7 Ų47.773%0.72725%0.248SC*.THydrogen-bonded Turntrans53.152179.8-170.352.8000113.4E145 K146E145-N149 WeakPolarHBondContact O-CA 3.45Å; E145-N149 PolarHBondContact O-N 2.91Å; K146-N149 PolarHBondContact O-N 3.27Å
150R92.8Very high94.6Very high20 Ų2048.8 Ų48.88%0.07526%0.26CS..  trans-130.560.6-176.460.9-176-164.7136.6-7.1112.9N26 E145 E148 G152 E153N26-R150 PolarHBondContact O-NH1 2.93Å; E145-R150 HydrophobicContact CB-CG 4.48Å; E145-R150 WeakPolarHBondContact CG-O 3.35Å; E145-R150 PolarHBondContact O-N 3.46Å; E148-R150 HydrophobicContact CB-CG 4.05Å; E148-R150 IonicContact OE2-CZ 3.27Å; E148-R150 IonicContact OE2-NE 3.56Å; E148-R150 PolarHBondContact OE2-NE 2.87Å; E148-R150 IonicContact OE2-NH2 3.73Å; E148-R150 PolarHBondContact OE2-NH2 3.43Å; R150-G152 PolarHBondContact O-N 3.04Å; R150-E153 HydrophobicContact CB-CB 4.45Å; R150-E153 HydrophobicContact CB-CG 4.13Å; R150-E153 IonicContact NH1-OE2 2.81Å; R150-E153 PolarHBondContact NH1-OE2 3.49Å; R150-E153 VanDerWaalsContact NH1-OE2 3.15Å; R150-E153 PolarHBondContact O-N 3.34Å
151P91.4Very high94.4Very high70 Ų7048.2 Ų48.246%0.45526%0.257SS..THydrogen-bonded Turntrans-59.7130.1-172.826.4-35.2000111.8F184P151-F184 HydrophobicContact CB-CE1 3.97Å; P151-F184 HydrophobicContact CB-CZ 3.96Å
152G91.1Very high94.2Very high31 Ų3149.5 Ų49.532%0.3227%0.265SS..THydrogen-bonded Turntrans90-13.517600000116.1E145 R150 L154 R155 Y181E145-G152 VanDerWaalsContact OE1-C 3.24Å; E145-G152 WeakPolarHBondContact OE1-CA 3.44Å; E145-G152 PolarHBondContact OE1-N 2.91Å; E145-G152 PolarHBondContact OE2-N 3.31Å; R150-G152 PolarHBondContact O-N 3.04Å; G152-L154 PolarHBondContact O-N 2.94Å; G152-R155 VanDerWaalsContact O-CB 3.3Å; G152-R155 WeakPolarHBondContact O-CB 3.49Å; G152-R155 PolarHBondContact O-N 3.48Å; G152-Y181 WeakPolarHBondContact CA-OH 3.36Å
153E94.1Very high94.1Very high122 Ų12251.8 Ų51.857%0.5729%0.293SS*.THydrogen-bonded Turntrans-69.2-30.3-176-73.2-169.7-160.200114E145 R150E145-E153 PolarHBondContact OE1-N 3.43Å; E145-E153 VanDerWaalsContact OE1-N 3.14Å; R150-E153 HydrophobicContact CB-CB 4.45Å; R150-E153 HydrophobicContact CB-CG 4.13Å; R150-E153 IonicContact NH1-OE2 2.81Å; R150-E153 PolarHBondContact NH1-OE2 3.49Å; R150-E153 VanDerWaalsContact NH1-OE2 3.15Å; R150-E153 PolarHBondContact O-N 3.34Å
154L95.4Very high94Very high0 Ų050.1 Ų50.10%029%0.287CS..THydrogen-bonded Turntrans-10314.7178.4-58.2-177.2000112.4W23 N26 A141 Y144 E145 G152 S156 F157W23-L154 HydrophobicContact CE3-CD1 4.3Å; W23-L154 HydrophobicContact CZ3-CD1 4.03Å; N26-L154 HydrophobicContact CB-CD2 3.54Å; A141-L154 HydrophobicContact CB-CB 4.15Å; A141-L154 HydrophobicContact CB-CD1 4.37Å; Y144-L154 HydrophobicContact CD2-CD1 4.36Å; Y144-L154 HydrophobicContact CG-CD1 4.48Å; E145-L154 HydrophobicContact CG-CB 3.88Å; E145-L154 HydrophobicContact CG-CD1 4.15Å; E145-L154 HydrophobicContact CG-CG 4Å; E145-L154 VanDerWaalsContact OE1-CA 3.3Å; E145-L154 WeakPolarHBondContact OE1-CA 3.3Å; E145-L154 WeakPolarHBondContact OE1-CB 3.21Å; E145-L154 PolarHBondContact OE1-N 3.12Å; G152-L154 PolarHBondContact O-N 2.94Å; L154-S156 PolarHBondContact O-N 3.42Å; L154-F157 HydrophobicContact CB-CD2 4.05Å; L154-F157 HydrophobicContact CD2-CD2 4.3Å; L154-F157 HydrophobicContact CD2-CE2 4.02Å; L154-F157 WeakPolarHBondContact O-CB 3.3Å; L154-F157 WeakPolarHBondContact O-CD2 3.46Å; L154-F157 PolarHBondContact O-N 3.05Å
155R93.3Very high94Very high43 Ų4349.9 Ų49.916%0.16229%0.287CS..Hα-helixtrans-52.5-31.3-179.7-174.6178.2177.4144.511113.8E145 G152 F157 L158 D159 S189 A190E145-R155 PolarHBondContact OE1-N 3.35Å; G152-R155 VanDerWaalsContact O-CB 3.3Å; G152-R155 WeakPolarHBondContact O-CB 3.49Å; G152-R155 PolarHBondContact O-N 3.48Å; R155-F157 PolarHBondContact O-N 3.34Å; R155-L158 WeakPolarHBondContact O-CA 3.47Å; R155-L158 WeakPolarHBondContact O-CB 3.49Å; R155-L158 PolarHBondContact O-N 3.49Å; R155-D159 IonicContact NE-OD1 3.78Å; R155-D159 IonicContact NE-OD2 3.3Å; R155-D159 PolarHBondContact O-N 3.33Å; R155-S189 PolarHBondContact NH1-OG 2.93Å; R155-S189 PolarHBondContact NH2-O 3.48Å; R155-S189 PolarHBondContact NH2-OG 3.46Å; R155-A190 PolarHBondContact NH2-O 3.17Å
156S94Very high94Very high67 Ų6754.2 Ų54.247%0.46931%0.313SS..Hα-helixtrans-56.1-33178.554.10000113.2L154 L158 D159 C160L154-S156 PolarHBondContact O-N 3.42Å; S156-L158 VanDerWaalsContact C-N 3.32Å; S156-D159 PolarHBondContact O-N 3.14Å; S156-C160 WeakPolarHBondContact O-CB 3.46Å; S156-C160 PolarHBondContact O-N 3.36Å; S156-C160 PolarHBondContact O-SG 3.47Å
157F94.9Very high94.1Very high25 Ų2548.8 Ų48.811%0.1129%0.291CS..Hα-helixtrans-70.6-29.5176.7-66.9-89.8000112.3W23 N26 M137 A141 L154 R155 C160 T161W23-F157 HydrophobicContact CE3-CE1 4.31Å; W23-F157 HydrophobicContact CE3-CE2 4.17Å; W23-F157 AromaticContact CE3-CZ 3.96Å; W23-F157 HydrophobicContact CE3-CZ 3.96Å; W23-F157 AromaticContact CH2-CD1 3.78Å; W23-F157 HydrophobicContact CH2-CD1 3.78Å; W23-F157 HydrophobicContact CH2-CD2 4.35Å; W23-F157 AromaticContact CH2-CE1 3.94Å; W23-F157 HydrophobicContact CH2-CE1 3.94Å; W23-F157 AromaticContact CH2-CG 3.99Å; W23-F157 HydrophobicContact CH2-CG 3.99Å; W23-F157 HydrophobicContact CH2-CZ 4.3Å; W23-F157 AromaticContact CZ3-CD1 3.85Å; W23-F157 HydrophobicContact CZ3-CD1 3.85Å; W23-F157 AromaticContact CZ3-CD2 3.75Å; W23-F157 HydrophobicContact CZ3-CD2 3.75Å; W23-F157 AromaticContact CZ3-CE1 3.72Å; W23-F157 HydrophobicContact CZ3-CE1 3.72Å; W23-F157 AromaticContact CZ3-CE2 3.63Å; W23-F157 HydrophobicContact CZ3-CE2 3.63Å; W23-F157 AromaticContact CZ3-CG 3.86Å; W23-F157 HydrophobicContact CZ3-CG 3.86Å; W23-F157 AromaticContact CZ3-CZ 3.61Å; W23-F157 HydrophobicContact CZ3-CZ 3.61Å; N26-F157 WeakPolarHBondContact ND2-CE2 3.26Å; N26-F157 WeakPolarHBondContact ND2-CZ 3.39Å; M137-F157 HydrophobicContact CE-CD1 4.32Å; M137-F157 HydrophobicContact CG-CD1 3.91Å; M137-F157 HydrophobicContact SD-CD1 3.74Å; M137-F157 HydrophobicContact SD-CE1 4.23Å; A141-F157 HydrophobicContact CB-CB 3.88Å; A141-F157 HydrophobicContact CB-CG 4.43Å; L154-F157 HydrophobicContact CB-CD2 4.05Å; L154-F157 HydrophobicContact CD2-CD2 4.3Å; L154-F157 HydrophobicContact CD2-CE2 4.02Å; L154-F157 WeakPolarHBondContact O-CB 3.3Å; L154-F157 WeakPolarHBondContact O-CD2 3.46Å; L154-F157 PolarHBondContact O-N 3.05Å; R155-F157 PolarHBondContact O-N 3.34Å; F157-C160 PolarHBondContact O-SG 3.21Å; F157-C160 VanDerWaalsContact O-SG 3.37Å; F157-T161 PolarHBondContact O-OG1 3.06Å
158L93.8Very high94.1Very high0 Ų048.2 Ų48.20%029%0.288CS..Hα-helixtrans-76.3-42.7173.2-67.492.9000111.7L138 A141 R155 S156 T161 R178 Y181 F191L138-L158 HydrophobicContact CD1-CB 4.1Å; L138-L158 HydrophobicContact CD1-CD2 4.19Å; L138-L158 HydrophobicContact CD1-CG 3.69Å; A141-L158 HydrophobicContact CB-CD1 4.26Å; R155-L158 WeakPolarHBondContact O-CA 3.47Å; R155-L158 WeakPolarHBondContact O-CB 3.49Å; R155-L158 PolarHBondContact O-N 3.49Å; S156-L158 VanDerWaalsContact C-N 3.32Å; L158-T161 PolarHBondContact O-N 3.02Å; L158-T161 PolarHBondContact O-OG1 2.95Å; L158-T161 VanDerWaalsContact O-OG1 3.12Å; L158-R178 PolarHBondContact O-NH2 3.01Å; L158-Y181 HydrophobicContact CD1-CD2 3.99Å; L158-Y181 HydrophobicContact CD1-CE2 3.55Å; L158-Y181 HydrophobicContact CD2-CD1 3.66Å; L158-Y181 HydrophobicContact CD2-CD2 3.32Å; L158-Y181 HydrophobicContact CD2-CE1 4.04Å; L158-Y181 HydrophobicContact CD2-CE2 3.69Å; L158-Y181 HydrophobicContact CD2-CG 3.27Å; L158-Y181 HydrophobicContact CG-CD2 4.31Å; L158-Y181 HydrophobicContact CG-CE2 4.29Å; L158-F191 HydrophobicContact CB-CD1 4.04Å; L158-F191 HydrophobicContact CB-CE1 3.87Å; L158-F191 HydrophobicContact CD2-CE1 3.73Å; L158-F191 HydrophobicContact CD2-CZ 4.22Å; L158-F191 HydrophobicContact CG-CE1 4.46Å
159D93.1Very high94.2Very high29 Ų2946.5 Ų46.516%0.15528%0.281CS..Hα-helixtrans-66.5-43.8179.7-74-27.6000110.9R155 S156 T161 V162 F191 R192R155-D159 IonicContact NE-OD1 3.78Å; R155-D159 IonicContact NE-OD2 3.3Å; R155-D159 PolarHBondContact O-N 3.33Å; S156-D159 PolarHBondContact O-N 3.14Å; D159-T161 PolarHBondContact O-N 3.23Å; D159-T161 VanDerWaalsContact O-N 3.07Å; D159-V162 WeakPolarHBondContact O-CG2 3.3Å; D159-V162 PolarHBondContact O-N 2.7Å; D159-V162 VanDerWaalsContact O-N 3.16Å; D159-F191 WeakPolarHBondContact OD1-CA 3.43Å; D159-R192 PolarHBondContact OD1-N 2.95Å
160C92.6Very high94.4Very high63 Ų6340 Ų4043%0.42625%0.246SC..THydrogen-bonded Turntrans-67.4-12.9-178.577.50000114.2S156 F157S156-C160 WeakPolarHBondContact O-CB 3.46Å; S156-C160 PolarHBondContact O-N 3.36Å; S156-C160 PolarHBondContact O-SG 3.47Å; F157-C160 PolarHBondContact O-SG 3.21Å; F157-C160 VanDerWaalsContact O-SG 3.37Å
161T94.2Very high94.6Very high2 Ų241.9 Ų41.91%0.01226%0.258CS..THydrogen-bonded Turntrans-104.57.2178.8520000113.5K134 M137 F157 L158 D159 G163 V164 F165 R178K134-T161 HydrophobicContact CB-CG2 4.22Å; M137-T161 HydrophobicContact CE-CG2 3.59Å; F157-T161 PolarHBondContact O-OG1 3.06Å; L158-T161 PolarHBondContact O-N 3.02Å; L158-T161 PolarHBondContact O-OG1 2.95Å; L158-T161 VanDerWaalsContact O-OG1 3.12Å; D159-T161 PolarHBondContact O-N 3.23Å; D159-T161 VanDerWaalsContact O-N 3.07Å; T161-G163 PolarHBondContact O-N 3.44Å; T161-V164 HydrophobicContact CG2-CG2 4.37Å; T161-V164 WeakPolarHBondContact O-CG2 3.39Å; T161-F165 HydrophobicContact CG2-CZ 4.47Å; T161-F165 WeakPolarHBondContact O-CE2 3.34Å; T161-R178 VanDerWaalsContact C-NH2 3.31Å; T161-R178 PolarHBondContact O-NH2 3.14Å; T161-R178 PolarHBondContact OG1-NH2 2.94Å
162V93.1Very high94.9Very high27 Ų2745 Ų4516%0.16426%0.264CS..THydrogen-bonded Turntrans-71.3122.7174.3-177.10000110.4D159 V164 F191 Q193 P194D159-V162 WeakPolarHBondContact O-CG2 3.3Å; D159-V162 PolarHBondContact O-N 2.7Å; D159-V162 VanDerWaalsContact O-N 3.16Å; V162-V164 VanDerWaalsContact C-N 3.26Å; V162-V164 PolarHBondContact O-N 2.83Å; V162-F191 HydrophobicContact CG2-CB 3.54Å; V162-F191 HydrophobicContact CG2-CG 4.43Å; V162-Q193 HydrophobicContact CB-CG 4.23Å; V162-Q193 HydrophobicContact CG1-CG 3.53Å; V162-P194 WeakPolarHBondContact O-CD 3.45Å
163G93.8Very high95.3Very high67 Ų6746.5 Ų46.569%0.69126%0.26SS*.THydrogen-bonded Turntrans72.514.4174.700000114.9T161T161-G163 PolarHBondContact O-N 3.44Å
164V94.9Very high95.4Very high29 Ų2940.9 Ų40.918%0.17623%0.234CC..  trans-98-16.5-178.7-50.60000113.8K134 T161 V162 P194K134-V164 HydrophobicContact CD-CG2 3.63Å; T161-V164 HydrophobicContact CG2-CG2 4.37Å; T161-V164 WeakPolarHBondContact O-CG2 3.39Å; V162-V164 VanDerWaalsContact C-N 3.26Å; V162-V164 PolarHBondContact O-N 2.83Å; V164-P194 HydrophobicContact CG1-CG 4.48Å
165F97.2Very high95.4Very high14 Ų1443.7 Ų43.76%0.06126%0.258CS..  trans-76.2135.2-179.2-60.8-76.9000110.2D131 K134 F135 L138 T161 V170 N171 A174D131-F165 HydrophobicContact CB-CD1 4.13Å; D131-F165 WeakPolarHBondContact O-CE1 3.34Å; D131-F165 WeakPolarHBondContact OD1-CA 3.46Å; K134-F165 HydrophobicContact CB-CE1 3.78Å; K134-F165 HydrophobicContact CB-CZ 4.23Å; F135-F165 HydrophobicContact CB-CE1 3.98Å; F135-F165 HydrophobicContact CB-CZ 4.48Å; L138-F165 HydrophobicContact CD2-CZ 4.27Å; T161-F165 HydrophobicContact CG2-CZ 4.47Å; T161-F165 WeakPolarHBondContact O-CE2 3.34Å; F165-V170 HydrophobicContact CD1-CB 4.36Å; F165-V170 HydrophobicContact CD1-CG1 3.54Å; F165-V170 HydrophobicContact CE1-CG1 3.79Å; F165-V170 HydrophobicContact CG-CG1 4.29Å; F165-N171 VanDerWaalsContact C-ND2 3.31Å; F165-N171 PolarHBondContact O-ND2 3.35Å; F165-A174 HydrophobicContact CD2-CB 3.64Å; F165-A174 HydrophobicContact CE2-CB 3.32Å; F165-A174 HydrophobicContact CG-CB 4.39Å; F165-A174 HydrophobicContact CZ-CB 3.82Å
166V96.3Very high95.6Very high92 Ų9246 Ų4656%0.55827%0.269SS*.  trans-96.3-40.1-174.2179.80000111.8M127 D131M127-V166 HydrophobicContact SD-CG1 3.97Å; D131-V166 PolarHBondContact OD1-N 2.97Å; D131-V166 PolarHBondContact OD2-N 2.85Å
167T96.6Very high95.6Very high16 Ų1643 Ų4310%0.09825%0.248CC..SBendtrans-81.4140.3-176.464.60000111.2L128 D131 T169 V170 N171L128-T167 HydrophobicContact CB-CG2 4.14Å; L128-T167 HydrophobicContact CD1-CG2 4.01Å; D131-T167 WeakPolarHBondContact OD2-CB 3.39Å; D131-T167 WeakPolarHBondContact OD2-CG2 3.43Å; D131-T167 PolarHBondContact OD2-N 3.46Å; D131-T167 PolarHBondContact OD2-OG1 3.16Å; T167-T169 PolarHBondContact O-N 3.47Å; T167-V170 PolarHBondContact O-N 3.06Å; T167-V170 WeakPolarHBondContact OG1-CB 3.38Å; T167-V170 WeakPolarHBondContact OG1-CG2 3.31Å; T167-V170 PolarHBondContact OG1-N 3.06Å; T167-N171 WeakPolarHBondContact O-CB 3.36Å; T167-N171 PolarHBondContact O-N 2.96Å; T167-N171 PolarHBondContact O-ND2 3.34Å
168D95.7Very high95.6Very high110 Ų11043.1 Ų43.159%0.58825%0.247SC*.Hα-helixtrans-61.7-33.8177-77.8-14.5000112K172D168-K172 VanDerWaalsContact O-CG 3.31Å; D168-K172 WeakPolarHBondContact O-CG 3.48Å; D168-K172 PolarHBondContact O-N 3.32Å
169T97Very high95.6Very high14 Ų1447.4 Ų47.49%0.08627%0.267CS..Hα-helixtrans-66.3-51.6-179.1-72.80000111.1K52 E53 T167 K172 W173K52-T169 PolarHBondContact NZ-OG1 3.27Å; E53-T169 WeakPolarHBondContact OE1-CB 3.41Å; E53-T169 PolarHBondContact OE1-OG1 2.54Å; T167-T169 PolarHBondContact O-N 3.47Å; T169-K172 PolarHBondContact O-N 3.34Å; T169-W173 HydrophobicContact CG2-CD2 4.46Å; T169-W173 HydrophobicContact CG2-CH2 4.31Å; T169-W173 HydrophobicContact CG2-CZ2 3.71Å; T169-W173 PolarHBondContact O-N 3.27Å
170V98.1Very high95.6Very high0 Ų051.8 Ų51.80%028%0.282CS..Hα-helixtrans-73.3-31.9-177.8-174.70000111.6L128 D131 L132 F135 F165 T167 K172 W173 A174L128-V170 HydrophobicContact CD1-CG2 3.99Å; D131-V170 HydrophobicContact CB-CB 3.83Å; D131-V170 HydrophobicContact CB-CG1 3.94Å; D131-V170 HydrophobicContact CB-CG2 3.81Å; L132-V170 HydrophobicContact CD2-CG2 3.99Å; F135-V170 HydrophobicContact CB-CG1 3.61Å; F135-V170 HydrophobicContact CD2-CG1 4.1Å; F135-V170 HydrophobicContact CG-CG1 4.01Å; F165-V170 HydrophobicContact CD1-CB 4.36Å; F165-V170 HydrophobicContact CD1-CG1 3.54Å; F165-V170 HydrophobicContact CE1-CG1 3.79Å; F165-V170 HydrophobicContact CG-CG1 4.29Å; T167-V170 PolarHBondContact O-N 3.06Å; T167-V170 WeakPolarHBondContact OG1-CB 3.38Å; T167-V170 WeakPolarHBondContact OG1-CG2 3.31Å; T167-V170 PolarHBondContact OG1-N 3.06Å; V170-K172 VanDerWaalsContact C-N 3.28Å; V170-K172 PolarHBondContact O-N 3.16Å; V170-W173 HydrophobicContact CG2-CE3 4.46Å; V170-W173 PolarHBondContact O-N 2.96Å; V170-W173 VanDerWaalsContact O-N 3.16Å; V170-A174 WeakPolarHBondContact O-CB 3.36Å; V170-A174 PolarHBondContact O-N 2.88Å
171N97Very high95.5Very high59 Ų5948.9 Ų48.932%0.31626%0.262SS..Hα-helixtrans-54.4-43.9170.4-91.9-69.6000112.5F165 T167 A174 A175F165-N171 VanDerWaalsContact C-ND2 3.31Å; F165-N171 PolarHBondContact O-ND2 3.35Å; T167-N171 WeakPolarHBondContact O-CB 3.36Å; T167-N171 PolarHBondContact O-N 2.96Å; T167-N171 PolarHBondContact O-ND2 3.34Å; N171-A174 PolarHBondContact O-N 3.05Å; N171-A175 WeakPolarHBondContact O-CB 3.07Å; N171-A175 PolarHBondContact O-N 3.31Å
172K97.4Very high95.3Very high136 Ų13650.5 Ų50.559%0.59128%0.276SS*.Hα-helixtrans-65.1-40.7177.9-73.4169.7-177.2177.10112.1D168 T169 V170 A175 K176D168-K172 VanDerWaalsContact O-CG 3.31Å; D168-K172 WeakPolarHBondContact O-CG 3.48Å; D168-K172 PolarHBondContact O-N 3.32Å; T169-K172 PolarHBondContact O-N 3.34Å; V170-K172 VanDerWaalsContact C-N 3.28Å; V170-K172 PolarHBondContact O-N 3.16Å; K172-A175 PolarHBondContact O-N 3.24Å; K172-K176 PolarHBondContact O-N 3.01Å
173W98.1Very high95.1Very high62 Ų6256 Ų5624%0.23530%0.299CS..Hα-helixtrans-64.9-48.7176.7-60.4-7.4000110.9L44 C47 V48 L132 F135 T169 V170 A175 K176 V177L44-W173 HydrophobicContact CD2-CZ3 4.38Å; C47-W173 HydrophobicContact CB-CH2 3.7Å; C47-W173 HydrophobicContact CB-CZ2 3.92Å; C47-W173 WeakPolarHBondContact O-CZ2 3.34Å; V48-W173 HydrophobicContact CG2-CH2 3.73Å; V48-W173 HydrophobicContact CG2-CZ2 4.47Å; V48-W173 HydrophobicContact CG2-CZ3 4.47Å; L132-W173 HydrophobicContact CD2-CE3 4.49Å; L132-W173 HydrophobicContact CD2-CZ3 3.74Å; F135-W173 HydrophobicContact CD1-CE3 4.2Å; F135-W173 HydrophobicContact CD2-CB 3.96Å; F135-W173 HydrophobicContact CE1-CE3 4.01Å; F135-W173 HydrophobicContact CE2-CB 3.38Å; F135-W173 HydrophobicContact CE2-CE3 4.49Å; F135-W173 HydrophobicContact CE2-CG 4.49Å; F135-W173 HydrophobicContact CZ-CB 3.82Å; F135-W173 HydrophobicContact CZ-CE3 4.17Å; T169-W173 HydrophobicContact CG2-CD2 4.46Å; T169-W173 HydrophobicContact CG2-CH2 4.31Å; T169-W173 HydrophobicContact CG2-CZ2 3.71Å; T169-W173 PolarHBondContact O-N 3.27Å; V170-W173 HydrophobicContact CG2-CE3 4.46Å; V170-W173 PolarHBondContact O-N 2.96Å; V170-W173 VanDerWaalsContact O-N 3.16Å; W173-A175 VanDerWaalsContact C-N 3.26Å; W173-A175 PolarHBondContact O-N 2.91Å; W173-K176 WeakPolarHBondContact O-CB 3.46Å; W173-K176 PolarHBondContact O-N 3.36Å; W173-V177 WeakPolarHBondContact O-CG2 3.46Å; W173-V177 PolarHBondContact O-N 2.9Å
174A97.3Very high94.9Very high3 Ų355.8 Ų55.83%0.02528%0.28CS..Hα-helixtrans-60-34178.800000113.2F135 L138 F165 V170 N171 R178F135-A174 HydrophobicContact CD2-CB 4.42Å; L138-A174 HydrophobicContact CD2-CB 3.87Å; F165-A174 HydrophobicContact CD2-CB 3.64Å; F165-A174 HydrophobicContact CE2-CB 3.32Å; F165-A174 HydrophobicContact CG-CB 4.39Å; F165-A174 HydrophobicContact CZ-CB 3.82Å; V170-A174 WeakPolarHBondContact O-CB 3.36Å; V170-A174 PolarHBondContact O-N 2.88Å; N171-A174 PolarHBondContact O-N 3.05Å; A174-R178 WeakPolarHBondContact O-CG 3.48Å; A174-R178 PolarHBondContact O-N 2.97Å; A174-R178 VanDerWaalsContact O-N 3.14Å; A174-R178 PolarHBondContact O-NH1 3.26Å
175A95.8Very high94.4Very high59 Ų5955.3 Ų55.349%0.48828%0.278SS..Hα-helixtrans-65.5-42.7172.100000111.8N171 K172 W173 R178 E179N171-A175 WeakPolarHBondContact O-CB 3.07Å; N171-A175 PolarHBondContact O-N 3.31Å; K172-A175 PolarHBondContact O-N 3.24Å; W173-A175 VanDerWaalsContact C-N 3.26Å; W173-A175 PolarHBondContact O-N 2.91Å; A175-R178 PolarHBondContact O-N 2.89Å; A175-E179 PolarHBondContact O-N 3.48Å
176K96.3Very high93.5Very high92 Ų9257.8 Ų57.840%0.431%0.307SS..Hα-helixtrans-66.3-37.4177.5-166.971.6-154.7168.50112.4K172 W173 R178 E179 R180K172-K176 PolarHBondContact O-N 3.01Å; W173-K176 WeakPolarHBondContact O-CB 3.46Å; W173-K176 PolarHBondContact O-N 3.36Å; K176-R178 VanDerWaalsContact C-N 3.34Å; K176-E179 WeakPolarHBondContact CD-OE2 3.39Å; K176-E179 WeakPolarHBondContact CE-OE2 3.07Å; K176-E179 IonicContact NZ-OE1 4Å; K176-E179 PolarHBondContact NZ-OE1 3.03Å; K176-E179 IonicContact NZ-OE2 3.83Å; K176-E179 PolarHBondContact NZ-OE2 3.21Å; K176-E179 PolarHBondContact O-N 3.34Å; K176-R180 WeakPolarHBondContact O-CG 3.44Å; K176-R180 PolarHBondContact O-N 3.01Å; K176-R180 VanDerWaalsContact O-N 3.12Å
177V95.3Very high92.1Very high4 Ų455.6 Ų55.62%0.02429%0.294CS..Hα-helixtrans-61.6-44.4173.5176.40000110.7F135 L138 E139 M142 W173 E179 R180 Y181F135-V177 HydrophobicContact CE2-CG2 3.68Å; F135-V177 HydrophobicContact CZ-CG2 4.08Å; L138-V177 HydrophobicContact CD2-CB 4.02Å; L138-V177 HydrophobicContact CD2-CG1 4.01Å; L138-V177 HydrophobicContact CD2-CG2 4.46Å; L138-V177 HydrophobicContact CG-CB 4.48Å; L138-V177 HydrophobicContact CG-CG1 3.91Å; E139-V177 VanDerWaalsContact OE2-CG1 3.24Å; E139-V177 WeakPolarHBondContact OE2-CG1 3.46Å; E139-V177 WeakPolarHBondContact OE2-CG2 3.24Å; M142-V177 HydrophobicContact SD-CG1 4.17Å; W173-V177 WeakPolarHBondContact O-CG2 3.46Å; W173-V177 PolarHBondContact O-N 2.9Å; V177-E179 PolarHBondContact O-N 3.28Å; V177-R180 PolarHBondContact O-N 3.45Å; V177-Y181 WeakPolarHBondContact O-CB 3.42Å; V177-Y181 PolarHBondContact O-N 2.85Å
178R93.5Very high90.5Very high27 Ų2761.8 Ų61.810%0.10233%0.332CS..Hα-helixtrans-62.8-39.3177.2-81.1169.1-177.8625.7113.8L158 T161 A174 A175 K176 Y181 A182 F191L158-R178 PolarHBondContact O-NH2 3.01Å; T161-R178 VanDerWaalsContact C-NH2 3.31Å; T161-R178 PolarHBondContact O-NH2 3.14Å; T161-R178 PolarHBondContact OG1-NH2 2.94Å; A174-R178 WeakPolarHBondContact O-CG 3.48Å; A174-R178 PolarHBondContact O-N 2.97Å; A174-R178 VanDerWaalsContact O-N 3.14Å; A174-R178 PolarHBondContact O-NH1 3.26Å; A175-R178 PolarHBondContact O-N 2.89Å; K176-R178 VanDerWaalsContact C-N 3.34Å; R178-Y181 PolarHBondContact O-N 2.99Å; R178-A182 PolarHBondContact O-N 3.49Å; R178-F191 HydrophobicContact CB-CD2 4.33Å; R178-F191 HydrophobicContact CB-CE2 3.59Å; R178-F191 HydrophobicContact CB-CZ 3.91Å; R178-F191 HydrophobicContact CG-CD2 4.09Å; R178-F191 HydrophobicContact CG-CE1 4.29Å; R178-F191 HydrophobicContact CG-CE2 3.65Å; R178-F191 HydrophobicContact CG-CZ 3.76Å
179E93.4Very high89Confident90 Ų9059.6 Ų59.642%0.42133%0.325SS..Hα-helixtrans-59.9-50.9174-174-171.8160.200110.6A175 K176 V177 Y181 A182 E183A175-E179 PolarHBondContact O-N 3.48Å; K176-E179 WeakPolarHBondContact CD-OE2 3.39Å; K176-E179 WeakPolarHBondContact CE-OE2 3.07Å; K176-E179 IonicContact NZ-OE1 4Å; K176-E179 PolarHBondContact NZ-OE1 3.03Å; K176-E179 IonicContact NZ-OE2 3.83Å; K176-E179 PolarHBondContact NZ-OE2 3.21Å; K176-E179 PolarHBondContact O-N 3.34Å; V177-E179 PolarHBondContact O-N 3.28Å; E179-Y181 VanDerWaalsContact C-N 3.28Å; E179-Y181 PolarHBondContact O-N 3.18Å; E179-A182 PolarHBondContact O-N 2.99Å; E179-E183 PolarHBondContact O-N 2.99Å; E179-E183 VanDerWaalsContact O-N 3.16Å
180R92.9Very high87.9Confident121 Ų12163.1 Ų63.146%0.45736%0.356SS..Hα-helixtrans-61.7-36.8177.1-66.8173.8173.2176.5-0112.5M142 K176 V177 E183 F184M142-R180 HydrophobicContact CE-CB 3.59Å; M142-R180 HydrophobicContact SD-CB 4.06Å; K176-R180 WeakPolarHBondContact O-CG 3.44Å; K176-R180 PolarHBondContact O-N 3.01Å; K176-R180 VanDerWaalsContact O-N 3.12Å; V177-R180 PolarHBondContact O-N 3.45Å; R180-E183 PolarHBondContact O-N 3.21Å; R180-F184 WeakPolarHBondContact O-CB 3.38Å; R180-F184 PolarHBondContact O-N 3.29Å
181Y92.5Very high86.6Confident2 Ų265.5 Ų65.51%0.00837%0.366CS..Hα-helixtrans-66.3-40.2176.6-177.2-85.4000112.1M142 E145 G152 L158 V177 R178 E179 E183 F184 S185 F191M142-Y181 HydrophobicContact CB-CD2 4.38Å; M142-Y181 HydrophobicContact CG-CD2 4.19Å; E145-Y181 PolarHBondContact OE1-OH 3.36Å; E145-Y181 WeakPolarHBondContact OE2-CE2 3.33Å; E145-Y181 PolarHBondContact OE2-OH 3.27Å; G152-Y181 WeakPolarHBondContact CA-OH 3.36Å; L158-Y181 HydrophobicContact CD1-CD2 3.99Å; L158-Y181 HydrophobicContact CD1-CE2 3.55Å; L158-Y181 HydrophobicContact CD2-CD1 3.66Å; L158-Y181 HydrophobicContact CD2-CD2 3.32Å; L158-Y181 HydrophobicContact CD2-CE1 4.04Å; L158-Y181 HydrophobicContact CD2-CE2 3.69Å; L158-Y181 HydrophobicContact CD2-CG 3.27Å; L158-Y181 HydrophobicContact CG-CD2 4.31Å; L158-Y181 HydrophobicContact CG-CE2 4.29Å; V177-Y181 WeakPolarHBondContact O-CB 3.42Å; V177-Y181 PolarHBondContact O-N 2.85Å; R178-Y181 PolarHBondContact O-N 2.99Å; E179-Y181 VanDerWaalsContact C-N 3.28Å; E179-Y181 PolarHBondContact O-N 3.18Å; Y181-E183 VanDerWaalsContact C-N 3.32Å; Y181-E183 PolarHBondContact O-N 2.87Å; Y181-F184 PolarHBondContact O-N 3.33Å; Y181-S185 WeakPolarHBondContact CE1-OG 3.49Å; Y181-S185 WeakPolarHBondContact O-CB 3.36Å; Y181-S185 PolarHBondContact O-N 2.76Å; Y181-S185 PolarHBondContact O-OG 2.84Å; Y181-F191 AromaticContact CD1-CE1 3.9Å; Y181-F191 HydrophobicContact CD1-CE1 3.9Å; Y181-F191 AromaticContact CD1-CZ 3.83Å; Y181-F191 HydrophobicContact CD1-CZ 3.83Å; Y181-F191 HydrophobicContact CE1-CE1 4.2Å
182A89.9Confident85.1Confident37 Ų3772 Ų7231%0.30639%0.386SS..Hα-helixtrans-63.2-40.2176.900000111.4R178 E179 G186R178-A182 PolarHBondContact O-N 3.49Å; E179-A182 PolarHBondContact O-N 2.99Å; A182-G186 PolarHBondContact O-N 3Å
183E89.2Confident83.2Confident141 Ų14172.7 Ų72.766%0.65939%0.392SS*.Hα-helixtrans-62.7-45.2173.4-66.8171.7179.500112E179 R180 Y181E179-E183 PolarHBondContact O-N 2.99Å; E179-E183 VanDerWaalsContact O-N 3.16Å; R180-E183 PolarHBondContact O-N 3.21Å; Y181-E183 VanDerWaalsContact C-N 3.32Å; Y181-E183 PolarHBondContact O-N 2.87Å
184F87.8Confident81.1Confident63 Ų6371.9 Ų71.928%0.27639%0.394SS..Hα-helixtrans-69.5-49.7-178.4163-109.2000113.3M142 E145 K146 P151 R180 Y181 G186M142-F184 HydrophobicContact CE-CB 4.4Å; E145-F184 HydrophobicContact CB-CE1 3.74Å; E145-F184 HydrophobicContact CB-CZ 4.2Å; K146-F184 HydrophobicContact CB-CE2 4.15Å; K146-F184 HydrophobicContact CB-CZ 4.13Å; K146-F184 HydrophobicContact CG-CD2 4.49Å; K146-F184 HydrophobicContact CG-CE2 4.2Å; P151-F184 HydrophobicContact CB-CE1 3.97Å; P151-F184 HydrophobicContact CB-CZ 3.96Å; R180-F184 WeakPolarHBondContact O-CB 3.38Å; R180-F184 PolarHBondContact O-N 3.29Å; Y181-F184 PolarHBondContact O-N 3.33Å; F184-G186 PolarHBondContact O-N 3.38Å
185S85.1Confident78.6Confident20 Ų2076.1 Ų76.114%0.1443%0.429CS..Hα-helixtrans-76.3-7.7-174.462.70000113.4Y181 T187Y181-S185 WeakPolarHBondContact CE1-OG 3.49Å; Y181-S185 WeakPolarHBondContact O-CB 3.36Å; Y181-S185 PolarHBondContact O-N 2.76Å; Y181-S185 PolarHBondContact O-OG 2.84Å; S185-T187 PolarHBondContact O-N 3.01Å; S185-T187 PolarHBondContact O-OG1 3.17Å; S185-T187 WeakPolarHBondContact OG-CB 3.33Å; S185-T187 PolarHBondContact OG-N 3.29Å
186G77.8Confident75.9Confident65 Ų6583 Ų8367%0.6745%0.448SS*.  trans6011.1-171.600000113.6A182 F184A182-G186 PolarHBondContact O-N 3Å; F184-G186 PolarHBondContact O-N 3.38Å
187T68Low73Confident47 Ų4785.2 Ų85.229%0.28846%0.464SS..  trans-95.5117.1-172.5-55.10000110.5S185 S189S185-T187 PolarHBondContact O-N 3.01Å; S185-T187 PolarHBondContact O-OG1 3.17Å; S185-T187 WeakPolarHBondContact OG-CB 3.33Å; S185-T187 PolarHBondContact OG-N 3.29Å; T187-S189 WeakPolarHBondContact CG2-OG 3.39Å
188T61.6Low70.2Confident146 Ų14691.9 Ų91.990%0.89649%0.493SS*.  trans-88.8-6.6176.356.60000113.4A190T188-A190 PolarHBondContact O-N 3.16Å
189S65.8Low67.3Low63 Ų6399.8 Ų99.844%0.44153%0.531SS..SBendtrans-70.9130-177.781.60000110.7R155 T187R155-S189 PolarHBondContact NH1-OG 2.93Å; R155-S189 PolarHBondContact NH2-O 3.48Å; R155-S189 PolarHBondContact NH2-OG 3.46Å; T187-S189 WeakPolarHBondContact CG2-OG 3.39Å
190A72.4Confident64.2Low88 Ų88101.4 Ų101.473%0.72755%0.547SS*.PPolyproline II helixtrans-52.9142.5178.100000111.7R155 T188R155-A190 PolarHBondContact NH2-O 3.17Å; T188-A190 PolarHBondContact O-N 3.16Å
191F71.6Confident61.2Low51 Ų51100 Ų10022%0.22456%0.561CS.*PPolyproline II helixtrans-62.4137.2172.6-63.4-82000110L158 D159 V162 R178 Y181L158-F191 HydrophobicContact CB-CD1 4.04Å; L158-F191 HydrophobicContact CB-CE1 3.87Å; L158-F191 HydrophobicContact CD2-CE1 3.73Å; L158-F191 HydrophobicContact CD2-CZ 4.22Å; L158-F191 HydrophobicContact CG-CE1 4.46Å; D159-F191 WeakPolarHBondContact OD1-CA 3.43Å; V162-F191 HydrophobicContact CG2-CB 3.54Å; V162-F191 HydrophobicContact CG2-CG 4.43Å; R178-F191 HydrophobicContact CB-CD2 4.33Å; R178-F191 HydrophobicContact CB-CE2 3.59Å; R178-F191 HydrophobicContact CB-CZ 3.91Å; R178-F191 HydrophobicContact CG-CD2 4.09Å; R178-F191 HydrophobicContact CG-CE1 4.29Å; R178-F191 HydrophobicContact CG-CE2 3.65Å; R178-F191 HydrophobicContact CG-CZ 3.76Å; Y181-F191 AromaticContact CD1-CE1 3.9Å; Y181-F191 HydrophobicContact CD1-CE1 3.9Å; Y181-F191 AromaticContact CD1-CZ 3.83Å; Y181-F191 HydrophobicContact CD1-CZ 3.83Å; Y181-F191 HydrophobicContact CE1-CE1 4.2Å
192R66.4Low58.2Low196 Ų196105.4 Ų105.474%0.7460%0.597SS**PPolyproline II helixtrans-81.7126.3-179-68.6-177.1-177.8-176.92.6108.7D159D159-R192 PolarHBondContact OD1-N 2.95Å
193Q55.9Low55.2Low150 Ų150108.4 Ų108.470%0.70162%0.615SS**PPolyproline II helixtrans-66.1137.4167.5-82.5-174.9-1.500109.6V162 A195V162-Q193 HydrophobicContact CB-CG 4.23Å; V162-Q193 HydrophobicContact CG1-CG 3.53Å; Q193-A195 PolarHBondContact O-N 3.37Å
194P54Low52.4Low45 Ų45108.2 Ų108.229%0.29263%0.628SS.*PPolyproline II helixtrans-61.6135.217124.5-29.5000109V162 V164 K196V162-P194 WeakPolarHBondContact O-CD 3.45Å; V164-P194 HydrophobicContact CG1-CG 4.48Å; P194-K196 PolarHBondContact O-N 3.34Å
195A44.9Very low49.6Very low91 Ų91109.1 Ų109.175%0.75264%0.642SS**PPolyproline II helixtrans-55.5124.4166.800000107.3Q193 L197Q193-A195 PolarHBondContact O-N 3.37Å; A195-L197 PolarHBondContact O-N 3.12Å
196K38.9Very low47Very low203 Ų203115.3 Ų115.388%0.88367%0.674SS**  trans-35.298.9-169.7-74.7-176.3176.8-178.70112.4P194 F198P194-K196 PolarHBondContact O-N 3.34Å; K196-F198 PolarHBondContact O-N 3.41Å
197L36.6Very low44.9Very low140 Ų140124 Ų12473%0.73369%0.686SS**  trans-96.840.9170.2-98.5159.4000109.8A195A195-L197 PolarHBondContact O-N 3.12Å
198F36.9Very low43.2Very low144 Ų144133.1 Ų133.163%0.63272%0.715SS**  trans-142.677.3171.3-80.8-84.3000107.9K196K196-F198 PolarHBondContact O-N 3.41Å
199E31.8Very low42.2Very low192 Ų192138.9 Ų138.990%0.89773%0.732SS**PPolyproline II helixtrans-68.7135.5151.4-80.2-178.6163.900108.3
200T29Very low41Very low125 Ų125142.7 Ų142.777%0.76775%0.747SS**PPolyproline II helixtrans-47.7135.7-169.747.70000113.8
201A29.4Very low39.4Very low92 Ų92145.5 Ų145.576%0.7675%0.748SS**PPolyproline II helixtrans-51.9129156.900000108.2S203A201-S203 PolarHBondContact O-N 2.72Å
202P28.5Very low37.6Very low115 Ų115150.8 Ų150.875%0.74778%0.777SS**PPolyproline II helixtrans-64.4124.3173.326.1-29.6000107.2C204P202-C204 PolarHBondContact O-N 3.43Å
203S28.4Very low35.9Very low100 Ų100148.1 Ų148.170%0.69978%0.779SS**  trans-56.6108.3166.755.30000107.9A201 S205A201-S203 PolarHBondContact O-N 2.72Å; S203-S205 PolarHBondContact O-N 2.82Å
204C30.5Very low34.6Very low137 Ų137148 Ų14893%0.92678%0.784SS**  trans-73.373.2160.6-90.50000108.4P202P202-C204 PolarHBondContact O-N 3.43Å
205S28.7Very low33.3Very low81 Ų81154.9 Ų154.957%0.56682%0.816SS**  trans-80135.614849.40000107.8S203S203-S205 PolarHBondContact O-N 2.82Å
206N29.1Very low32.5Very low151 Ų151159.4 Ų159.481%0.80782%0.821SS**  trans76.393168.9-58.5-17.4000118.3
207R35.5Very low32Very low248 Ų248156.1 Ų156.194%0.93682%0.816SS**  -149.394.3116.6-113.9179.1-88-140.90.7110.2
208R30.5Very low31.7Very low237 Ų237157.4 Ų157.489%0.89482%0.823SS**  trans-84.7156.9145.7-76.7-177.2179.1-175.4-0.4106.7
209E41.5Very low31.2Very low267 Ų267158.6 Ų158.6100%1.24884%0.841SS**  trans99.10-175.3-59.3-176.8-177.700114.4

Retrieved 209 of 209 residues in 67.2 ms (Link to these results)

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