A0A087Y7M6_POEFO Loading...

Ferritin

Stores iron in a soluble, non-toxic, readily available form. Important for iron homeostasis. Iron is taken up in the ferrous form and deposited as ferric hydroxides after oxidation.

AlphaFold DB , UniProt , Accession A0A087Y7M6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 166 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
1Y89.5Confident95.4Very high79 Ų7949.7 Ų49.731%0.3126%0.262SS..  0104.70-165.8-128.1000107T5 E6 V9 Q62 R65Y1-T5 HydrophobicContact CE2-CG2 4.11Å; Y1-E6 HydrophobicContact CD1-CB 4.17Å; Y1-E6 HydrophobicContact CE1-CB 3.53Å; Y1-E6 HydrophobicContact CE1-CG 3.85Å; Y1-E6 WeakPolarHBondContact OH-CA 3.34Å; Y1-V9 WeakPolarHBondContact OH-CG2 3.49Å; Y1-Q62 VanDerWaalsContact CZ-OE1 3.28Å; Y1-Q62 PolarHBondContact OH-OE1 2.98Å; Y1-R65 HydrophobicContact CD1-CB 3.89Å; Y1-R65 HydrophobicContact CD2-CB 3.99Å; Y1-R65 HydrophobicContact CD2-CG 4.24Å; Y1-R65 HydrophobicContact CE1-CB 4.02Å; Y1-R65 HydrophobicContact CE2-CB 4.14Å; Y1-R65 HydrophobicContact CE2-CG 4.21Å; Y1-R65 HydrophobicContact CG-CB 3.88Å
2H95Very high95.5Very high82 Ų8245.6 Ų45.638%0.3824%0.24SC..  trans-80.9145.1-171.9-169.8-106.3000110.8E4 T5 E6 N113H2-E4 VanDerWaalsContact C-N 3.26Å; H2-E4 IonicContact CE1-OE2 3.57Å; H2-E4 WeakPolarHBondContact ND1-CB 3.42Å; H2-E4 PolarHBondContact ND1-N 3.13Å; H2-E4 IonicContact ND1-OE2 2.82Å; H2-E4 PolarHBondContact O-N 3.42Å; H2-T5 WeakPolarHBondContact O-CB 3.45Å; H2-T5 PolarHBondContact O-N 2.87Å; H2-T5 VanDerWaalsContact O-N 3.07Å; H2-E6 PolarHBondContact O-N 3.48Å; H2-N113 HydrophobicContact CB-CB 4.04Å; H2-N113 PolarHBondContact ND1-ND2 3.1Å
3A94.7Very high95.7Very high70 Ų7042.2 Ų42.258%0.57922%0.222SC*.Hα-helixtrans-61.1-32.7-175.100000113.2E6 G7A3-E6 PolarHBondContact O-N 3.45Å; A3-G7 PolarHBondContact O-N 3.46Å
4E93.6Very high95.7Very high111 Ų11140.3 Ų40.352%0.51921%0.213SC..Hα-helixtrans-63.4-46.6174.6-67.2177.6165.700111.5H2 E6 G7 D8H2-E4 VanDerWaalsContact C-N 3.26Å; H2-E4 IonicContact CE1-OE2 3.57Å; H2-E4 WeakPolarHBondContact ND1-CB 3.42Å; H2-E4 PolarHBondContact ND1-N 3.13Å; H2-E4 IonicContact ND1-OE2 2.82Å; H2-E4 PolarHBondContact O-N 3.42Å; E4-E6 VanDerWaalsContact C-N 3.33Å; E4-E6 PolarHBondContact O-N 2.89Å; E4-G7 CarbonylContact O-C 3.59Å; E4-G7 WeakPolarHBondContact O-CA 3.4Å; E4-G7 PolarHBondContact O-N 3.37Å; E4-G7 VanDerWaalsContact O-N 3.12Å; E4-D8 VanDerWaalsContact O-CG 3.28Å; E4-D8 PolarHBondContact O-N 2.72Å
5T94.1Very high95.7Very high0 Ų041.5 Ų41.50%022%0.219CC..Hα-helixtrans-66.2-36.4-179.9-540000111.7Y1 H2 D8 V9 A110 N113 L118Y1-T5 HydrophobicContact CE2-CG2 4.11Å; H2-T5 WeakPolarHBondContact O-CB 3.45Å; H2-T5 PolarHBondContact O-N 2.87Å; H2-T5 VanDerWaalsContact O-N 3.07Å; T5-D8 PolarHBondContact O-N 3.31Å; T5-V9 WeakPolarHBondContact O-CG2 3.42Å; T5-V9 PolarHBondContact O-N 3.42Å; T5-A110 HydrophobicContact CG2-CB 4.45Å; T5-N113 PolarHBondContact OG1-ND2 3.24Å; T5-N113 VanDerWaalsContact OG1-ND2 3.12Å; T5-L118 HydrophobicContact CG2-CD2 2.95Å; T5-L118 HydrophobicContact CG2-CG 4.41Å
6E96.8Very high95.7Very high48 Ų4839 Ų3922%0.22421%0.206CC..Hα-helixtrans-59.5-47.1169.1179.3177.8-174.600111.9Y1 H2 A3 E4 D8 V9 N10 Q62 G67 R68Y1-E6 HydrophobicContact CD1-CB 4.17Å; Y1-E6 HydrophobicContact CE1-CB 3.53Å; Y1-E6 HydrophobicContact CE1-CG 3.85Å; Y1-E6 WeakPolarHBondContact OH-CA 3.34Å; H2-E6 PolarHBondContact O-N 3.48Å; A3-E6 PolarHBondContact O-N 3.45Å; E4-E6 VanDerWaalsContact C-N 3.33Å; E4-E6 PolarHBondContact O-N 2.89Å; E6-D8 VanDerWaalsContact C-N 3.31Å; E6-D8 PolarHBondContact O-N 3.39Å; E6-V9 PolarHBondContact O-N 3.16Å; E6-N10 PolarHBondContact O-N 2.97Å; E6-N10 VanDerWaalsContact O-N 3.12Å; E6-N10 PolarHBondContact O-ND2 3.36Å; E6-Q62 PolarHBondContact O-NE2 3.24Å; E6-G67 WeakPolarHBondContact OE1-CA 3.48Å; E6-R68 PolarHBondContact OE1-N 3.34Å
7G97.1Very high95.8Very high29 Ų2938.6 Ų38.630%0.29920%0.204SC..Hα-helixtrans-62.2-37.2175.900000113A3 E4 N10 K11A3-G7 PolarHBondContact O-N 3.46Å; E4-G7 CarbonylContact O-C 3.59Å; E4-G7 WeakPolarHBondContact O-CA 3.4Å; E4-G7 PolarHBondContact O-N 3.37Å; E4-G7 VanDerWaalsContact O-N 3.12Å; G7-N10 PolarHBondContact O-N 3.09Å; G7-K11 WeakPolarHBondContact O-CG 3.31Å; G7-K11 PolarHBondContact O-N 3.44Å
8D96.9Very high95.8Very high8 Ų838.3 Ų38.34%0.04320%0.202CC..Hα-helixtrans-69-40.2177.2-71.4-43.8000113.3E4 T5 E6 N10 K11 L12 V106 R109E4-D8 VanDerWaalsContact O-CG 3.28Å; E4-D8 PolarHBondContact O-N 2.72Å; T5-D8 PolarHBondContact O-N 3.31Å; E6-D8 VanDerWaalsContact C-N 3.31Å; E6-D8 PolarHBondContact O-N 3.39Å; D8-N10 VanDerWaalsContact C-N 3.31Å; D8-N10 PolarHBondContact O-N 2.87Å; D8-K11 WeakPolarHBondContact O-CB 3.45Å; D8-K11 PolarHBondContact O-N 3.39Å; D8-K11 IonicContact OD1-NZ 3.97Å; D8-L12 WeakPolarHBondContact O-CB 3.39Å; D8-L12 PolarHBondContact O-N 2.83Å; D8-V106 HydrophobicContact CB-CG1 4.01Å; D8-V106 HydrophobicContact CB-CG2 3.88Å; D8-R109 VanDerWaalsContact CG-NE 3.34Å; D8-R109 IonicContact OD1-CZ 2.69Å; D8-R109 IonicContact OD1-NE 3.64Å; D8-R109 PolarHBondContact OD1-NE 3Å; D8-R109 IonicContact OD1-NH2 3.51Å; D8-R109 PolarHBondContact OD1-NH2 3.49Å; D8-R109 IonicContact OD2-CZ 2.67Å; D8-R109 IonicContact OD2-NE 3.9Å; D8-R109 PolarHBondContact OD2-NE 3.43Å; D8-R109 IonicContact OD2-NH2 3.33Å; D8-R109 PolarHBondContact OD2-NH2 3.48Å
9V97.5Very high95.8Very high0 Ų036.3 Ų36.30%019%0.191CC..Hα-helixtrans-62.1-42.2173.6170.90000110.2Y1 T5 E6 K11 L12 I13 L58 Q62 L118Y1-V9 WeakPolarHBondContact OH-CG2 3.49Å; T5-V9 WeakPolarHBondContact O-CG2 3.42Å; T5-V9 PolarHBondContact O-N 3.42Å; E6-V9 PolarHBondContact O-N 3.16Å; V9-K11 VanDerWaalsContact C-N 3.32Å; V9-K11 PolarHBondContact O-N 3.34Å; V9-L12 PolarHBondContact O-N 3.43Å; V9-I13 HydrophobicContact CG1-CD1 4.02Å; V9-I13 VanDerWaalsContact O-CG1 3.3Å; V9-I13 WeakPolarHBondContact O-CG1 3.48Å; V9-I13 PolarHBondContact O-N 3.24Å; V9-L58 HydrophobicContact CG1-CB 4.48Å; V9-L58 HydrophobicContact CG1-CD2 4.37Å; V9-Q62 HydrophobicContact CG1-CB 4.19Å; V9-L118 HydrophobicContact CG2-CD1 4.38Å; V9-L118 HydrophobicContact CG2-CD2 4.38Å
10N97.6Very high95.9Very high11 Ų1135 Ų356%0.05919%0.186CC..Hα-helixtrans-60.3-38.9173.9-78-35.3000112.9E6 G7 D8 N14 Q62 R68 I69 L70E6-N10 PolarHBondContact O-N 2.97Å; E6-N10 VanDerWaalsContact O-N 3.12Å; E6-N10 PolarHBondContact O-ND2 3.36Å; G7-N10 PolarHBondContact O-N 3.09Å; D8-N10 VanDerWaalsContact C-N 3.31Å; D8-N10 PolarHBondContact O-N 2.87Å; N10-N14 PolarHBondContact O-N 2.98Å; N10-N14 PolarHBondContact O-ND2 2.73Å; N10-Q62 VanDerWaalsContact CG-NE2 3.25Å; N10-Q62 PolarHBondContact ND2-NE2 3.35Å; N10-Q62 PolarHBondContact OD1-NE2 2.91Å; N10-R68 PolarHBondContact ND2-O 2.92Å; N10-R68 PolarHBondContact OD1-O 2.97Å; N10-I69 WeakPolarHBondContact OD1-CA 3.23Å; N10-L70 PolarHBondContact OD1-N 3.14Å; N10-L70 VanDerWaalsContact OD1-N 3.13Å
11K96.8Very high95.9Very high109 Ų10935.3 Ų35.347%0.47419%0.19SC..Hα-helixtrans-66.9-43.3173.6-70.3170.4-170.8167.30111.7G7 D8 V9 I13 N14 L15 F102G7-K11 WeakPolarHBondContact O-CG 3.31Å; G7-K11 PolarHBondContact O-N 3.44Å; D8-K11 WeakPolarHBondContact O-CB 3.45Å; D8-K11 PolarHBondContact O-N 3.39Å; D8-K11 IonicContact OD1-NZ 3.97Å; V9-K11 VanDerWaalsContact C-N 3.32Å; V9-K11 PolarHBondContact O-N 3.34Å; K11-I13 VanDerWaalsContact C-N 3.32Å; K11-I13 PolarHBondContact O-N 3.22Å; K11-N14 PolarHBondContact O-N 3.04Å; K11-L15 WeakPolarHBondContact O-CG 3.4Å; K11-L15 PolarHBondContact O-N 3.02Å; K11-F102 HydrophobicContact CB-CE1 4.31Å; K11-F102 HydrophobicContact CB-CZ 3.68Å; K11-F102 HydrophobicContact CD-CZ 4.28Å
12L96.6Very high96.1Very high0 Ų031.6 Ų31.60%018%0.176CC..Hα-helixtrans-62.1-39.9178.8-175.857.9000111.6D8 V9 N14 L15 K16 L58 F102 I103 L122D8-L12 WeakPolarHBondContact O-CB 3.39Å; D8-L12 PolarHBondContact O-N 2.83Å; V9-L12 PolarHBondContact O-N 3.43Å; L12-N14 VanDerWaalsContact C-N 3.35Å; L12-N14 PolarHBondContact O-N 3.32Å; L12-L15 PolarHBondContact O-N 3.29Å; L12-K16 HydrophobicContact CD1-CG 4.3Å; L12-K16 HydrophobicContact CG-CG 4.49Å; L12-K16 WeakPolarHBondContact O-CG 3.49Å; L12-K16 PolarHBondContact O-N 3.2Å; L12-L58 HydrophobicContact CB-CD1 4.18Å; L12-L58 HydrophobicContact CD2-CD1 3.71Å; L12-L58 HydrophobicContact CD2-CD2 3.89Å; L12-L58 HydrophobicContact CD2-CG 4.47Å; L12-L58 HydrophobicContact CG-CD1 3.53Å; L12-F102 HydrophobicContact CB-CD1 4.29Å; L12-F102 HydrophobicContact CB-CE1 3.89Å; L12-F102 HydrophobicContact CD1-CD1 3.85Å; L12-F102 HydrophobicContact CD1-CE1 4.33Å; L12-I103 HydrophobicContact CD1-CG1 3.89Å; L12-I103 HydrophobicContact CD2-CG1 4.24Å; L12-L122 HydrophobicContact CD2-CD2 4.28Å
13I97.6Very high96.2Very high1 Ų127.8 Ų27.81%0.00516%0.158CC..Hα-helixtrans-55.1-50.7172.8-71.4159.6000110.5V9 K11 L15 K16 L17 L58 L59 L71V9-I13 HydrophobicContact CG1-CD1 4.02Å; V9-I13 VanDerWaalsContact O-CG1 3.3Å; V9-I13 WeakPolarHBondContact O-CG1 3.48Å; V9-I13 PolarHBondContact O-N 3.24Å; K11-I13 VanDerWaalsContact C-N 3.32Å; K11-I13 PolarHBondContact O-N 3.22Å; I13-L15 VanDerWaalsContact C-N 3.34Å; I13-L15 PolarHBondContact O-N 2.87Å; I13-K16 PolarHBondContact O-N 3.42Å; I13-L17 HydrophobicContact CG2-CD1 4.01Å; I13-L17 WeakPolarHBondContact O-CG 3.41Å; I13-L17 PolarHBondContact O-N 3.49Å; I13-L58 HydrophobicContact CD1-CB 4.1Å; I13-L58 HydrophobicContact CG1-CB 3.44Å; I13-L58 VanDerWaalsContact CG1-CB 3.44Å; I13-L58 HydrophobicContact CG1-CD1 4.21Å; I13-L58 HydrophobicContact CG1-CG 4.45Å; I13-L59 HydrophobicContact CD1-CD2 3.82Å; I13-L59 HydrophobicContact CD1-CG 4.1Å; I13-L59 HydrophobicContact CG1-CD2 4.44Å; I13-L59 HydrophobicContact CG1-CG 4.33Å; I13-L59 HydrophobicContact CG2-CD1 4.49Å; I13-L59 HydrophobicContact CG2-CD2 3.94Å; I13-L59 HydrophobicContact CG2-CG 4.05Å; I13-L71 HydrophobicContact CG2-CD2 3.8Å
14N96.2Very high96.3Very high16 Ų1628.3 Ų28.39%0.08615%0.151CC..Hα-helixtrans-64.3-38.2179.8-76.8-71.6000112.5N10 K11 L12 L17 N18 L70 Q72N10-N14 PolarHBondContact O-N 2.98Å; N10-N14 PolarHBondContact O-ND2 2.73Å; K11-N14 PolarHBondContact O-N 3.04Å; L12-N14 VanDerWaalsContact C-N 3.35Å; L12-N14 PolarHBondContact O-N 3.32Å; N14-L17 PolarHBondContact O-N 3.12Å; N14-N18 WeakPolarHBondContact O-CB 3.43Å; N14-N18 PolarHBondContact O-N 3.01Å; N14-L70 PolarHBondContact ND2-O 3.37Å; N14-Q72 PolarHBondContact ND2-N 2.95Å; N14-Q72 WeakPolarHBondContact OD1-CA 3.44Å; N14-Q72 WeakPolarHBondContact OD1-CB 3.45Å; N14-Q72 PolarHBondContact OD1-N 3.49Å; N14-Q72 PolarHBondContact OD1-O 2.87Å
15L95.6Very high96.4Very high59 Ų5924.5 Ų24.531%0.30914%0.138SC..Hα-helixtrans-62.7-42.7174.7-73.3172.2000111.7K11 L12 I13 N18 A19 L99 F102K11-L15 WeakPolarHBondContact O-CG 3.4Å; K11-L15 PolarHBondContact O-N 3.02Å; L12-L15 PolarHBondContact O-N 3.29Å; I13-L15 VanDerWaalsContact C-N 3.34Å; I13-L15 PolarHBondContact O-N 2.87Å; L15-N18 PolarHBondContact O-N 3.44Å; L15-A19 WeakPolarHBondContact O-CB 3.39Å; L15-A19 PolarHBondContact O-N 3.04Å; L15-L99 HydrophobicContact CB-CD2 4Å; L15-F102 HydrophobicContact CD1-CB 4.24Å; L15-F102 HydrophobicContact CD1-CD1 3.68Å; L15-F102 HydrophobicContact CD1-CD2 3.62Å; L15-F102 HydrophobicContact CD1-CE1 3.86Å; L15-F102 HydrophobicContact CD1-CE2 3.8Å; L15-F102 HydrophobicContact CD1-CG 3.54Å; L15-F102 HydrophobicContact CD1-CZ 3.92Å
16K96.4Very high96.5Very high1 Ų124.5 Ų24.50%0.00414%0.138CC..Hα-helixtrans-66.1-39.5177.5-71.3-71172.4-178.20112.5L12 I13 A19 S20 E51 Q54 A55 L58L12-K16 HydrophobicContact CD1-CG 4.3Å; L12-K16 HydrophobicContact CG-CG 4.49Å; L12-K16 WeakPolarHBondContact O-CG 3.49Å; L12-K16 PolarHBondContact O-N 3.2Å; I13-K16 PolarHBondContact O-N 3.42Å; K16-A19 PolarHBondContact O-N 3.36Å; K16-S20 WeakPolarHBondContact O-CB 3.4Å; K16-S20 PolarHBondContact O-N 2.87Å; K16-E51 WeakPolarHBondContact CD-OE2 3.45Å; K16-E51 WeakPolarHBondContact CE-OE2 3.3Å; K16-E51 IonicContact NZ-OE1 3.42Å; K16-E51 IonicContact NZ-OE2 3.85Å; K16-E51 PolarHBondContact NZ-OE2 2.69Å; K16-Q54 HydrophobicContact CD-CB 4.1Å; K16-A55 HydrophobicContact CB-CB 3.77Å; K16-L58 HydrophobicContact CG-CD1 4.14Å
17L97Very high96.5Very high33 Ų3322.2 Ų22.217%0.17313%0.128CC..Hα-helixtrans-64.9-39.2172.8-67.7170.8000112.4I13 N14 S20 S21 A55 L71 I74I13-L17 HydrophobicContact CG2-CD1 4.01Å; I13-L17 WeakPolarHBondContact O-CG 3.41Å; I13-L17 PolarHBondContact O-N 3.49Å; N14-L17 PolarHBondContact O-N 3.12Å; L17-S20 PolarHBondContact O-N 3.4Å; L17-S21 PolarHBondContact O-N 2.97Å; L17-A55 HydrophobicContact CD2-CB 3.75Å; L17-A55 HydrophobicContact CG-CB 3.83Å; L17-L71 HydrophobicContact CD1-CD2 4.05Å; L17-I74 HydrophobicContact CB-CD1 3.75Å; L17-I74 HydrophobicContact CB-CG1 4.02Å; L17-I74 HydrophobicContact CD1-CD1 4.15Å; L17-I74 HydrophobicContact CG-CD1 4.43Å
18N95.6Very high96.4Very high32 Ų3224.9 Ų24.917%0.17113%0.134CC..Hα-helixtrans-66.7-40.7174.1175.6-102.7000112.3N14 L15 S21 T22 I74 A75N14-N18 WeakPolarHBondContact O-CB 3.43Å; N14-N18 PolarHBondContact O-N 3.01Å; L15-N18 PolarHBondContact O-N 3.44Å; N18-S21 PolarHBondContact O-N 3.07Å; N18-T22 WeakPolarHBondContact O-CB 3.37Å; N18-T22 PolarHBondContact O-N 2.82Å; N18-T22 PolarHBondContact O-OG1 3.35Å; N18-I74 HydrophobicContact CB-CG2 4.18Å; N18-A75 PolarHBondContact ND2-O 3.3Å
19A95.6Very high96.4Very high0 Ų026 Ų260%014%0.138CC..Hα-helixtrans-60.9-45.117400000111L15 K16 S21 T22 Y23 E51 L99L15-A19 WeakPolarHBondContact O-CB 3.39Å; L15-A19 PolarHBondContact O-N 3.04Å; K16-A19 PolarHBondContact O-N 3.36Å; A19-S21 PolarHBondContact O-N 3.25Å; A19-T22 WeakPolarHBondContact O-CB 3.36Å; A19-T22 PolarHBondContact O-N 3.45Å; A19-T22 VanDerWaalsContact O-N 3.11Å; A19-Y23 VanDerWaalsContact O-CD2 3.3Å; A19-Y23 WeakPolarHBondContact O-CD2 3.48Å; A19-Y23 PolarHBondContact O-N 3.12Å; A19-E51 HydrophobicContact CB-CB 4.31Å; A19-E51 HydrophobicContact CB-CG 4Å; A19-L99 HydrophobicContact CB-CD1 3.8Å
20S97.1Very high96.3Very high11 Ų1126 Ų268%0.07714%0.138CC..Hα-helixtrans-56.3-47.6173.8177.90000112.1K16 L17 T22 Y23 L24 S48K16-S20 WeakPolarHBondContact O-CB 3.4Å; K16-S20 PolarHBondContact O-N 2.87Å; L17-S20 PolarHBondContact O-N 3.4Å; S20-T22 VanDerWaalsContact C-N 3.29Å; S20-T22 PolarHBondContact O-N 3.12Å; S20-Y23 PolarHBondContact O-N 3.47Å; S20-L24 WeakPolarHBondContact O-CB 3.35Å; S20-L24 PolarHBondContact O-N 3.3Å; S20-S48 WeakPolarHBondContact CB-O 3.41Å; S20-S48 WeakPolarHBondContact O-CB 3.44Å; S20-S48 PolarHBondContact O-OG 3.26Å; S20-S48 PolarHBondContact OG-O 3.09Å; S20-S48 PolarHBondContact OG-OG 3.16Å
21S95.8Very high96.3Very high41 Ų4130.3 Ų30.329%0.28716%0.16SC..Hα-helixtrans-63.9-33.4176.7-173.50000112.9L17 N18 A19 A25L17-S21 PolarHBondContact O-N 2.97Å; N18-S21 PolarHBondContact O-N 3.07Å; A19-S21 PolarHBondContact O-N 3.25Å; S21-A25 PolarHBondContact O-N 3.28Å; S21-A25 VanDerWaalsContact O-N 3.16Å
22T95.3Very high96.3Very high2 Ų230.4 Ų30.41%0.01216%0.158CC..Hα-helixtrans-70.1-46.4178.3-61.50000111.1N18 A19 S20 L24 A25 L26 P77 F91N18-T22 WeakPolarHBondContact O-CB 3.37Å; N18-T22 PolarHBondContact O-N 2.82Å; N18-T22 PolarHBondContact O-OG1 3.35Å; A19-T22 WeakPolarHBondContact O-CB 3.36Å; A19-T22 PolarHBondContact O-N 3.45Å; A19-T22 VanDerWaalsContact O-N 3.11Å; S20-T22 VanDerWaalsContact C-N 3.29Å; S20-T22 PolarHBondContact O-N 3.12Å; T22-L24 VanDerWaalsContact C-N 3.3Å; T22-L24 PolarHBondContact O-N 3.44Å; T22-A25 PolarHBondContact O-N 2.85Å; T22-L26 PolarHBondContact O-N 2.66Å; T22-P77 HydrophobicContact CG2-CB 4.34Å; T22-F91 HydrophobicContact CG2-CE1 3.51Å; T22-F91 HydrophobicContact CG2-CZ 3.73Å
23Y96.7Very high96.2Very high2 Ų237.9 Ų37.91%0.00820%0.198CC..Hα-helixtrans-67.1-31.5175.5-69.4-49.3000112.8A19 S20 L26 G27 F44 R47 E51A19-Y23 VanDerWaalsContact O-CD2 3.3Å; A19-Y23 WeakPolarHBondContact O-CD2 3.48Å; A19-Y23 PolarHBondContact O-N 3.12Å; S20-Y23 PolarHBondContact O-N 3.47Å; Y23-L26 HydrophobicContact CD1-CD1 3.89Å; Y23-L26 HydrophobicContact CE1-CD1 4.36Å; Y23-L26 PolarHBondContact O-N 3.25Å; Y23-G27 PolarHBondContact O-N 2.89Å; Y23-F44 WeakPolarHBondContact CB-O 3.35Å; Y23-F44 AromaticContact CD1-CD1 3.69Å; Y23-F44 HydrophobicContact CD1-CD1 3.69Å; Y23-F44 HydrophobicContact CD1-CE1 4.16Å; Y23-F44 HydrophobicContact CE1-CD1 4.21Å; Y23-F44 HydrophobicContact CE1-CE1 4.26Å; Y23-R47 HydrophobicContact CD1-CB 4.37Å; Y23-R47 HydrophobicContact CD2-CB 3.95Å; Y23-R47 HydrophobicContact CE2-CB 4.33Å; Y23-R47 HydrophobicContact CG-CB 3.97Å; Y23-E51 HydrophobicContact CD2-CG 3.68Å; Y23-E51 HydrophobicContact CE2-CG 3.68Å
24L96.8Very high96Very high80 Ų8042.9 Ų42.942%0.41922%0.224SC..Hα-helixtrans-60.2-47.7171.3178.561.3000111S20 T22 L26 G27 M28 L45S20-L24 WeakPolarHBondContact O-CB 3.35Å; S20-L24 PolarHBondContact O-N 3.3Å; T22-L24 VanDerWaalsContact C-N 3.3Å; T22-L24 PolarHBondContact O-N 3.44Å; L24-L26 VanDerWaalsContact C-N 3.34Å; L24-L26 PolarHBondContact O-N 3.24Å; L24-G27 PolarHBondContact O-N 2.95Å; L24-M28 HydrophobicContact CD1-CG 4.46Å; L24-M28 WeakPolarHBondContact O-CG 3.42Å; L24-M28 PolarHBondContact O-N 3.02Å; L24-L45 HydrophobicContact CD1-CD2 3.65Å
25A95.5Very high95.9Very high31 Ų3143.6 Ų43.626%0.25623%0.229SC..Hα-helixtrans-63.2-39.9178.200000112.1S21 T22 M28 Y29 P77 W82S21-A25 PolarHBondContact O-N 3.28Å; S21-A25 VanDerWaalsContact O-N 3.16Å; T22-A25 PolarHBondContact O-N 2.85Å; A25-M28 PolarHBondContact O-N 3.41Å; A25-Y29 WeakPolarHBondContact O-CB 3.38Å; A25-Y29 PolarHBondContact O-N 3.31Å; A25-P77 HydrophobicContact CB-CG 3.95Å; A25-W82 HydrophobicContact CB-CH2 3.74Å; A25-W82 HydrophobicContact CB-CZ3 4.23Å
26L95.8Very high95.9Very high0 Ų043.9 Ų43.90%024%0.24CC..Hα-helixtrans-60.8-46.6172.7-85.4166.1000112.2T22 Y23 L24 M28 Y29 F30 F44 W82 A88 F91T22-L26 PolarHBondContact O-N 2.66Å; Y23-L26 HydrophobicContact CD1-CD1 3.89Å; Y23-L26 HydrophobicContact CE1-CD1 4.36Å; Y23-L26 PolarHBondContact O-N 3.25Å; L24-L26 VanDerWaalsContact C-N 3.34Å; L24-L26 PolarHBondContact O-N 3.24Å; L26-M28 VanDerWaalsContact C-N 3.34Å; L26-M28 PolarHBondContact O-N 2.97Å; L26-Y29 WeakPolarHBondContact O-CB 3.36Å; L26-Y29 PolarHBondContact O-N 3.18Å; L26-Y29 VanDerWaalsContact O-N 3.15Å; L26-F30 HydrophobicContact CD2-CE2 4.29Å; L26-F30 WeakPolarHBondContact O-CD2 3.42Å; L26-F30 PolarHBondContact O-N 2.93Å; L26-F44 HydrophobicContact CB-CB 4.07Å; L26-F44 HydrophobicContact CB-CD1 4.16Å; L26-F44 HydrophobicContact CB-CD2 4.13Å; L26-F44 HydrophobicContact CB-CG 3.86Å; L26-F44 HydrophobicContact CD1-CD1 4.09Å; L26-F44 HydrophobicContact CD1-CE1 4.02Å; L26-F44 HydrophobicContact CD1-CZ 4.46Å; L26-W82 HydrophobicContact CD2-CB 4.42Å; L26-W82 HydrophobicContact CD2-CD2 3.5Å; L26-W82 VanDerWaalsContact CD2-CD2 3.5Å; L26-W82 VanDerWaalsContact CD2-CE2 3.46Å; L26-W82 HydrophobicContact CD2-CE3 4.11Å; L26-W82 HydrophobicContact CD2-CG 3.63Å; L26-W82 HydrophobicContact CD2-CZ2 4.03Å; L26-W82 HydrophobicContact CG-CD2 4.2Å; L26-W82 HydrophobicContact CG-CH2 4.28Å; L26-W82 HydrophobicContact CG-CZ2 3.8Å; L26-A88 HydrophobicContact CD2-CB 3.74Å; L26-F91 HydrophobicContact CD1-CD1 4.06Å; L26-F91 HydrophobicContact CD1-CE1 4.13Å
27G96.9Very high95.9Very high0 Ų044.5 Ų44.50%024%0.244CC..Hα-helixtrans-56.8-48.4176.700000111.8Y23 L24 Y29 F30 D31 S41Y23-G27 PolarHBondContact O-N 2.89Å; L24-G27 PolarHBondContact O-N 2.95Å; G27-Y29 VanDerWaalsContact C-N 3.3Å; G27-Y29 PolarHBondContact O-N 2.98Å; G27-F30 PolarHBondContact O-N 3.45Å; G27-D31 PolarHBondContact O-N 3.38Å; G27-S41 WeakPolarHBondContact O-CB 3.38Å; G27-S41 PolarHBondContact O-OG 3.22Å; G27-S41 VanDerWaalsContact O-OG 3.12Å
28M96.1Very high95.9Very high86 Ų8645.6 Ų45.642%0.42425%0.253SS..Hα-helixtrans-66.5-29.2177.4-61-63.684.700113.3L24 A25 L26 D31 L45L24-M28 HydrophobicContact CD1-CG 4.46Å; L24-M28 WeakPolarHBondContact O-CG 3.42Å; L24-M28 PolarHBondContact O-N 3.02Å; A25-M28 PolarHBondContact O-N 3.41Å; L26-M28 VanDerWaalsContact C-N 3.34Å; L26-M28 PolarHBondContact O-N 2.97Å; M28-D31 HydrophobicContact CE-CB 4.46Å; M28-D31 PolarHBondContact O-N 3.09Å; M28-L45 HydrophobicContact CE-CD1 3.74Å; M28-L45 HydrophobicContact CE-CD2 3.62Å; M28-L45 HydrophobicContact CE-CG 4.13Å
29Y95.5Very high96.1Very high32 Ų3247.2 Ų47.213%0.12526%0.259CS..Hα-helixtrans-62.5-44.6172.8164.3-92.5000111.6A25 L26 G27 D31 R32 V35 W82 G84A25-Y29 WeakPolarHBondContact O-CB 3.38Å; A25-Y29 PolarHBondContact O-N 3.31Å; L26-Y29 WeakPolarHBondContact O-CB 3.36Å; L26-Y29 PolarHBondContact O-N 3.18Å; L26-Y29 VanDerWaalsContact O-N 3.15Å; G27-Y29 VanDerWaalsContact C-N 3.3Å; G27-Y29 PolarHBondContact O-N 2.98Å; Y29-D31 VanDerWaalsContact C-N 3.29Å; Y29-D31 PolarHBondContact O-N 2.81Å; Y29-R32 WeakPolarHBondContact O-CB 3.42Å; Y29-R32 WeakPolarHBondContact O-CD 3.3Å; Y29-R32 WeakPolarHBondContact O-CG 3.44Å; Y29-R32 PolarHBondContact O-N 2.98Å; Y29-V35 HydrophobicContact CE1-CG1 4.11Å; Y29-V35 HydrophobicContact CE1-CG2 4.3Å; Y29-V35 HydrophobicContact CE2-CG2 4.03Å; Y29-W82 HydrophobicContact CD1-CB 4.35Å; Y29-W82 HydrophobicContact CD2-CE3 4.33Å; Y29-W82 HydrophobicContact CE1-CB 4.21Å; Y29-W82 HydrophobicContact CE2-CB 4.5Å; Y29-W82 WeakPolarHBondContact CE2-O 3.4Å; Y29-W82 HydrophobicContact CG-CE3 4.12Å; Y29-W82 VanDerWaalsContact CZ-O 3.32Å; Y29-W82 PolarHBondContact OH-O 2.84Å; Y29-W82 VanDerWaalsContact OH-O 3.13Å; Y29-G84 PolarHBondContact OH-N 3.29Å
30F96.6Very high96.1Very high0 Ų047.2 Ų47.20%026%0.259CS..Hα-helixtrans-73.7-20179.7-74.7-71.2000114.1L26 G27 R32 V35 A36 L37 F40 F44 A88L26-F30 HydrophobicContact CD2-CE2 4.29Å; L26-F30 WeakPolarHBondContact O-CD2 3.42Å; L26-F30 PolarHBondContact O-N 2.93Å; G27-F30 PolarHBondContact O-N 3.45Å; F30-R32 VanDerWaalsContact C-N 3.33Å; F30-V35 HydrophobicContact CD1-CG1 3.72Å; F30-V35 HydrophobicContact CE1-CG1 4.33Å; F30-A36 PolarHBondContact O-N 2.91Å; F30-L37 HydrophobicContact CD1-CB 3.94Å; F30-L37 HydrophobicContact CD1-CD1 3.88Å; F30-L37 HydrophobicContact CD1-CG 4.44Å; F30-L37 HydrophobicContact CE1-CD1 3.96Å; F30-L37 PolarHBondContact O-N 3.44Å; F30-F40 HydrophobicContact CB-CB 3.96Å; F30-F40 HydrophobicContact CD1-CB 3.7Å; F30-F40 HydrophobicContact CD1-CG 4.15Å; F30-F40 HydrophobicContact CD2-CB 3.94Å; F30-F40 HydrophobicContact CE1-CB 4.15Å; F30-F40 HydrophobicContact CE1-CD1 4.22Å; F30-F40 HydrophobicContact CE1-CG 4.13Å; F30-F40 HydrophobicContact CE2-CB 4.42Å; F30-F40 HydrophobicContact CE2-CD1 4.31Å; F30-F40 HydrophobicContact CG-CB 3.58Å; F30-F40 HydrophobicContact CG-CG 4.42Å; F30-F40 HydrophobicContact CZ-CD1 4.08Å; F30-F40 HydrophobicContact CZ-CG 4.42Å; F30-F44 AromaticContact CD2-CD2 3.64Å; F30-F44 HydrophobicContact CD2-CD2 3.64Å; F30-F44 AromaticContact CD2-CE2 3.85Å; F30-F44 HydrophobicContact CD2-CE2 3.85Å; F30-F44 AromaticContact CE2-CD2 3.64Å; F30-F44 HydrophobicContact CE2-CD2 3.64Å; F30-F44 AromaticContact CE2-CE2 3.34Å; F30-F44 HydrophobicContact CE2-CE2 3.34Å; F30-F44 HydrophobicContact CE2-CZ 4.44Å; F30-F44 HydrophobicContact CZ-CE2 4.2Å; F30-A88 HydrophobicContact CE2-CB 3.58Å; F30-A88 HydrophobicContact CZ-CB 3.48Å; F30-A88 VanDerWaalsContact CZ-CB 3.48Å
31D97.1Very high96.2Very high100 Ų10047 Ų4754%0.53526%0.257SS..THydrogen-bonded Turntrans-79.7-11.8176-159.556000113.8G27 M28 Y29G27-D31 PolarHBondContact O-N 3.38Å; M28-D31 HydrophobicContact CE-CB 4.46Å; M28-D31 PolarHBondContact O-N 3.09Å; Y29-D31 VanDerWaalsContact C-N 3.29Å; Y29-D31 PolarHBondContact O-N 2.81Å
32R96Very high96.3Very high112 Ų11248.3 Ų48.342%0.42327%0.267SS..SBendtrans-59.6147.7178.3-70.5166.452.4169.7-1.6111.6Y29 F30 D34 V35 A36Y29-R32 WeakPolarHBondContact O-CB 3.42Å; Y29-R32 WeakPolarHBondContact O-CD 3.3Å; Y29-R32 WeakPolarHBondContact O-CG 3.44Å; Y29-R32 PolarHBondContact O-N 2.98Å; F30-R32 VanDerWaalsContact C-N 3.33Å; R32-D34 VanDerWaalsContact CB-OD1 3.23Å; R32-D34 WeakPolarHBondContact CB-OD1 3.36Å; R32-D34 IonicContact CZ-OD1 2.66Å; R32-D34 IonicContact CZ-OD2 3.79Å; R32-D34 IonicContact NE-OD1 3.24Å; R32-D34 PolarHBondContact NE-OD1 3.18Å; R32-D34 IonicContact NE-OD2 3.09Å; R32-D34 VanDerWaalsContact NH2-CG 3.29Å; R32-D34 IonicContact NH2-OD1 3.24Å; R32-D34 PolarHBondContact NH2-OD1 3.45Å; R32-D34 VanDerWaalsContact NH2-OD1 3.11Å; R32-D34 IonicContact NH2-OD2 3.42Å; R32-D34 PolarHBondContact NH2-OD2 3.44Å; R32-D34 PolarHBondContact O-N 3.25Å; R32-V35 HydrophobicContact CB-CB 4.46Å; R32-V35 HydrophobicContact CB-CG2 4.28Å; R32-V35 PolarHBondContact O-N 2.9Å; R32-V35 VanDerWaalsContact O-N 3.1Å; R32-A36 PolarHBondContact O-N 2.85Å
33D96.1Very high96.5Very high157 Ų15748.8 Ų48.884%0.8427%0.268SS*.THydrogen-bonded Turntrans-62.5-27.7179.260.2-69.3000113.5
34D93.1Very high96.5Very high105 Ų10548.7 Ų48.756%0.56127%0.268SS*.THydrogen-bonded Turntrans-89.5-1.7178.268.4-25.9000114.6R32R32-D34 VanDerWaalsContact CB-OD1 3.23Å; R32-D34 WeakPolarHBondContact CB-OD1 3.36Å; R32-D34 IonicContact CZ-OD1 2.66Å; R32-D34 IonicContact CZ-OD2 3.79Å; R32-D34 IonicContact NE-OD1 3.24Å; R32-D34 PolarHBondContact NE-OD1 3.18Å; R32-D34 IonicContact NE-OD2 3.09Å; R32-D34 VanDerWaalsContact NH2-CG 3.29Å; R32-D34 IonicContact NH2-OD1 3.24Å; R32-D34 PolarHBondContact NH2-OD1 3.45Å; R32-D34 VanDerWaalsContact NH2-OD1 3.11Å; R32-D34 IonicContact NH2-OD2 3.42Å; R32-D34 PolarHBondContact NH2-OD2 3.44Å; R32-D34 PolarHBondContact O-N 3.25Å
35V94.5Very high96.6Very high32 Ų3247 Ų4719%0.19426%0.259CS..THydrogen-bonded Turntrans-115.6-51.3173.7-176.50000110.8Y29 F30 R32 L37Y29-V35 HydrophobicContact CE1-CG1 4.11Å; Y29-V35 HydrophobicContact CE1-CG2 4.3Å; Y29-V35 HydrophobicContact CE2-CG2 4.03Å; F30-V35 HydrophobicContact CD1-CG1 3.72Å; F30-V35 HydrophobicContact CE1-CG1 4.33Å; R32-V35 HydrophobicContact CB-CB 4.46Å; R32-V35 HydrophobicContact CB-CG2 4.28Å; R32-V35 PolarHBondContact O-N 2.9Å; R32-V35 VanDerWaalsContact O-N 3.1Å; V35-L37 HydrophobicContact CG1-CD1 4.31Å; V35-L37 HydrophobicContact CG1-CG 4.38Å; V35-L37 PolarHBondContact O-N 3.44Å
36A95.3Very high96.7Very high65 Ų6550.6 Ų50.654%0.53727%0.271SS..  trans53.148.3169.300000115.9F30 R32 P38F30-A36 PolarHBondContact O-N 2.91Å; R32-A36 PolarHBondContact O-N 2.85Å; A36-P38 WeakPolarHBondContact O-CD 3.08Å
37L96.4Very high96.8Very high14 Ų1451.4 Ų51.47%0.07327%0.274CS..  trans-114.184.9176-64.7175000110.3F30 V35 H39 F40 S41 E158 D162F30-L37 HydrophobicContact CD1-CB 3.94Å; F30-L37 HydrophobicContact CD1-CD1 3.88Å; F30-L37 HydrophobicContact CD1-CG 4.44Å; F30-L37 HydrophobicContact CE1-CD1 3.96Å; F30-L37 PolarHBondContact O-N 3.44Å; V35-L37 HydrophobicContact CG1-CD1 4.31Å; V35-L37 HydrophobicContact CG1-CG 4.38Å; V35-L37 PolarHBondContact O-N 3.44Å; L37-H39 PolarHBondContact O-N 3.39Å; L37-F40 HydrophobicContact CB-CB 4Å; L37-F40 HydrophobicContact CB-CD2 3.98Å; L37-F40 HydrophobicContact CB-CG 4.4Å; L37-F40 HydrophobicContact CD1-CD2 3.96Å; L37-F40 HydrophobicContact CD1-CE2 4.33Å; L37-F40 HydrophobicContact CG-CD2 4.46Å; L37-F40 WeakPolarHBondContact O-CB 3.46Å; L37-F40 PolarHBondContact O-N 3.24Å; L37-S41 PolarHBondContact O-N 2.83Å; L37-E158 HydrophobicContact CD1-CB 4.31Å; L37-D162 VanDerWaalsContact C-OD1 3.24Å; L37-D162 HydrophobicContact CD2-CB 4Å
38P97.1Very high96.9Very high56 Ų5651.9 Ų51.936%0.36428%0.277SS..Hα-helixtrans-69.5-29.3-16726.7-35.7000114.4A36 S41 S42A36-P38 WeakPolarHBondContact O-CD 3.08Å; P38-S41 WeakPolarHBondContact O-CB 3.4Å; P38-S41 PolarHBondContact O-N 3.18Å; P38-S42 WeakPolarHBondContact O-CB 3.34Å; P38-S42 PolarHBondContact O-N 3.38Å
39H98Very high97Very high66 Ų6653.6 Ų53.631%0.30628%0.282SS..Hα-helixtrans-79.5-32.6178.2-5887.5000111L37 S41 S42 F43 D162 R163 L166L37-H39 PolarHBondContact O-N 3.39Å; H39-S41 VanDerWaalsContact C-N 3.35Å; H39-S42 PolarHBondContact O-N 2.95Å; H39-F43 VanDerWaalsContact O-CB 3.23Å; H39-F43 WeakPolarHBondContact O-CB 3.4Å; H39-F43 PolarHBondContact O-N 2.94Å; H39-D162 WeakPolarHBondContact CA-OD1 3.42Å; H39-D162 WeakPolarHBondContact CB-O 3.45Å; H39-D162 WeakPolarHBondContact CB-OD1 3.32Å; H39-D162 IonicContact CE1-OD2 2.92Å; H39-D162 IonicContact CG-OD2 3.88Å; H39-D162 PolarHBondContact N-OD1 2.91Å; H39-D162 PolarHBondContact ND1-O 3.19Å; H39-D162 VanDerWaalsContact ND1-O 3.16Å; H39-D162 IonicContact ND1-OD1 3.55Å; H39-D162 IonicContact ND1-OD2 3.68Å; H39-D162 PolarHBondContact ND1-OD2 3.09Å; H39-R163 PolarHBondContact CE1-NH1 2.91Å; H39-L166 HydrophobicContact CB-CB 3.68Å
40F97.5Very high97.1Very high0 Ų054.9 Ų54.90%029%0.29CS..Hα-helixtrans-58.6-46.3164.3-87.9-81.2000112.2F30 L37 F43 F44 L89 L144 F161 D162 L166F30-F40 HydrophobicContact CB-CB 3.96Å; F30-F40 HydrophobicContact CD1-CB 3.7Å; F30-F40 HydrophobicContact CD1-CG 4.15Å; F30-F40 HydrophobicContact CD2-CB 3.94Å; F30-F40 HydrophobicContact CE1-CB 4.15Å; F30-F40 HydrophobicContact CE1-CD1 4.22Å; F30-F40 HydrophobicContact CE1-CG 4.13Å; F30-F40 HydrophobicContact CE2-CB 4.42Å; F30-F40 HydrophobicContact CE2-CD1 4.31Å; F30-F40 HydrophobicContact CG-CB 3.58Å; F30-F40 HydrophobicContact CG-CG 4.42Å; F30-F40 HydrophobicContact CZ-CD1 4.08Å; F30-F40 HydrophobicContact CZ-CG 4.42Å; L37-F40 HydrophobicContact CB-CB 4Å; L37-F40 HydrophobicContact CB-CD2 3.98Å; L37-F40 HydrophobicContact CB-CG 4.4Å; L37-F40 HydrophobicContact CD1-CD2 3.96Å; L37-F40 HydrophobicContact CD1-CE2 4.33Å; L37-F40 HydrophobicContact CG-CD2 4.46Å; L37-F40 WeakPolarHBondContact O-CB 3.46Å; L37-F40 PolarHBondContact O-N 3.24Å; F40-F43 PolarHBondContact O-N 2.83Å; F40-F44 AromaticContact CD1-CE2 3.96Å; F40-F44 HydrophobicContact CD1-CE2 3.96Å; F40-F44 VanDerWaalsContact O-CD2 3.25Å; F40-F44 WeakPolarHBondContact O-CD2 3.49Å; F40-F44 PolarHBondContact O-N 3.24Å; F40-L89 HydrophobicContact CE1-CD1 3.99Å; F40-L89 HydrophobicContact CE1-CD2 4.5Å; F40-L89 HydrophobicContact CE1-CG 4.1Å; F40-L89 HydrophobicContact CZ-CD1 4.33Å; F40-L144 HydrophobicContact CZ-CD2 4.32Å; F40-F161 HydrophobicContact CE1-CD1 4.29Å; F40-F161 HydrophobicContact CE1-CE1 4.18Å; F40-F161 AromaticContact CE2-CD1 3.58Å; F40-F161 HydrophobicContact CE2-CD1 3.58Å; F40-F161 HydrophobicContact CE2-CE1 4.25Å; F40-F161 AromaticContact CZ-CD1 3.34Å; F40-F161 HydrophobicContact CZ-CD1 3.34Å; F40-F161 AromaticContact CZ-CE1 3.64Å; F40-F161 HydrophobicContact CZ-CE1 3.64Å; F40-F161 HydrophobicContact CZ-CG 4.42Å; F40-D162 HydrophobicContact CD2-CB 3.95Å; F40-D162 HydrophobicContact CE2-CB 4.22Å; F40-D162 PolarHBondContact N-OD1 2.88Å; F40-L166 HydrophobicContact CB-CD1 4.09Å; F40-L166 HydrophobicContact CD1-CD1 3.43Å; F40-L166 VanDerWaalsContact CD1-CD1 3.43Å; F40-L166 HydrophobicContact CD2-CD1 3.44Å; F40-L166 VanDerWaalsContact CD2-CD1 3.44Å; F40-L166 HydrophobicContact CE1-CD1 3.62Å; F40-L166 HydrophobicContact CE2-CD1 3.63Å; F40-L166 HydrophobicContact CG-CD1 3.35Å; F40-L166 HydrophobicContact CZ-CD1 3.72Å
41S97.9Very high97.1Very high5 Ų554.9 Ų54.94%0.03529%0.29CS..Hα-helixtrans-56.2-52.8174.8173.40000110.8G27 L37 P38 H39 F43 F44 L45G27-S41 WeakPolarHBondContact O-CB 3.38Å; G27-S41 PolarHBondContact O-OG 3.22Å; G27-S41 VanDerWaalsContact O-OG 3.12Å; L37-S41 PolarHBondContact O-N 2.83Å; P38-S41 WeakPolarHBondContact O-CB 3.4Å; P38-S41 PolarHBondContact O-N 3.18Å; H39-S41 VanDerWaalsContact C-N 3.35Å; S41-F43 PolarHBondContact O-N 3.13Å; S41-F44 PolarHBondContact O-N 2.83Å; S41-L45 WeakPolarHBondContact O-CB 3.44Å; S41-L45 VanDerWaalsContact O-CG 3.25Å; S41-L45 WeakPolarHBondContact O-CG 3.44Å; S41-L45 PolarHBondContact O-N 2.9Å
42S98.4Very high97.1Very high70 Ų7056.1 Ų56.149%0.4929%0.287SS..Hα-helixtrans-57.6-46.3178.4-172.40000112.5P38 H39 F44 L45 E46P38-S42 WeakPolarHBondContact O-CB 3.34Å; P38-S42 PolarHBondContact O-N 3.38Å; H39-S42 PolarHBondContact O-N 2.95Å; S42-F44 PolarHBondContact O-N 2.85Å; S42-L45 PolarHBondContact O-N 2.76Å; S42-E46 WeakPolarHBondContact O-CB 3.02Å; S42-E46 PolarHBondContact O-N 3.2Å
43F98.3Very high97.2Very high11 Ų1156 Ų565%0.04829%0.291CS..Hα-helixtrans-57.4-48.7179.2170.5-102000111.8H39 F40 S41 E46 R47 L89 L137 Y140 L166H39-F43 VanDerWaalsContact O-CB 3.23Å; H39-F43 WeakPolarHBondContact O-CB 3.4Å; H39-F43 PolarHBondContact O-N 2.94Å; F40-F43 PolarHBondContact O-N 2.83Å; S41-F43 PolarHBondContact O-N 3.13Å; F43-E46 PolarHBondContact O-N 2.99Å; F43-R47 HydrophobicContact CE1-CG 4.36Å; F43-R47 HydrophobicContact CE2-CG 4.36Å; F43-R47 HydrophobicContact CZ-CG 4.13Å; F43-R47 WeakPolarHBondContact O-CG 3.48Å; F43-R47 PolarHBondContact O-N 3.08Å; F43-L89 HydrophobicContact CE1-CD2 4.28Å; F43-L137 HydrophobicContact CE1-CD2 4.21Å; F43-L137 HydrophobicContact CZ-CD2 4Å; F43-Y140 HydrophobicContact CD2-CE2 4.44Å; F43-Y140 AromaticContact CE2-CE2 3.87Å; F43-Y140 HydrophobicContact CE2-CE2 3.87Å; F43-Y140 HydrophobicContact CZ-CD2 4.38Å; F43-Y140 HydrophobicContact CZ-CE2 4.08Å; F43-L166 HydrophobicContact CB-CD2 4.3Å; F43-L166 HydrophobicContact CD2-CD2 4.14Å; F43-L166 HydrophobicContact CG-CD2 4.06Å
44F98.1Very high97.3Very high0 Ų049.1 Ų49.10%025%0.254CS..Hα-helixtrans-72.3-31.8179.5-74.6-60000113Y23 L26 F30 F40 S41 S42 E46 R47 S48 A88 L89 S92Y23-F44 WeakPolarHBondContact CB-O 3.35Å; Y23-F44 AromaticContact CD1-CD1 3.69Å; Y23-F44 HydrophobicContact CD1-CD1 3.69Å; Y23-F44 HydrophobicContact CD1-CE1 4.16Å; Y23-F44 HydrophobicContact CE1-CD1 4.21Å; Y23-F44 HydrophobicContact CE1-CE1 4.26Å; L26-F44 HydrophobicContact CB-CB 4.07Å; L26-F44 HydrophobicContact CB-CD1 4.16Å; L26-F44 HydrophobicContact CB-CD2 4.13Å; L26-F44 HydrophobicContact CB-CG 3.86Å; L26-F44 HydrophobicContact CD1-CD1 4.09Å; L26-F44 HydrophobicContact CD1-CE1 4.02Å; L26-F44 HydrophobicContact CD1-CZ 4.46Å; F30-F44 AromaticContact CD2-CD2 3.64Å; F30-F44 HydrophobicContact CD2-CD2 3.64Å; F30-F44 AromaticContact CD2-CE2 3.85Å; F30-F44 HydrophobicContact CD2-CE2 3.85Å; F30-F44 AromaticContact CE2-CD2 3.64Å; F30-F44 HydrophobicContact CE2-CD2 3.64Å; F30-F44 AromaticContact CE2-CE2 3.34Å; F30-F44 HydrophobicContact CE2-CE2 3.34Å; F30-F44 HydrophobicContact CE2-CZ 4.44Å; F30-F44 HydrophobicContact CZ-CE2 4.2Å; F40-F44 AromaticContact CD1-CE2 3.96Å; F40-F44 HydrophobicContact CD1-CE2 3.96Å; F40-F44 VanDerWaalsContact O-CD2 3.25Å; F40-F44 WeakPolarHBondContact O-CD2 3.49Å; F40-F44 PolarHBondContact O-N 3.24Å; S41-F44 PolarHBondContact O-N 2.83Å; S42-F44 PolarHBondContact O-N 2.85Å; F44-E46 VanDerWaalsContact C-N 3.34Å; F44-R47 PolarHBondContact O-N 3.23Å; F44-S48 WeakPolarHBondContact O-CB 3.43Å; F44-S48 PolarHBondContact O-N 2.96Å; F44-A88 HydrophobicContact CE2-CB 4.05Å; F44-A88 HydrophobicContact CZ-CB 4.01Å; F44-L89 HydrophobicContact CZ-CD2 4.35Å; F44-S92 WeakPolarHBondContact CE1-OG 3.35Å
45L98.5Very high97.6Very high44 Ų4444.1 Ų44.123%0.2323%0.227CC..Hα-helixtrans-66.9-35.8172.6-70.1170.7000112.2L24 M28 S41 S42 S48 K49L24-L45 HydrophobicContact CD1-CD2 3.65Å; M28-L45 HydrophobicContact CE-CD1 3.74Å; M28-L45 HydrophobicContact CE-CD2 3.62Å; M28-L45 HydrophobicContact CE-CG 4.13Å; S41-L45 WeakPolarHBondContact O-CB 3.44Å; S41-L45 VanDerWaalsContact O-CG 3.25Å; S41-L45 WeakPolarHBondContact O-CG 3.44Å; S41-L45 PolarHBondContact O-N 2.9Å; S42-L45 PolarHBondContact O-N 2.76Å; L45-S48 WeakPolarHBondContact O-CB 3.48Å; L45-S48 PolarHBondContact O-N 3.1Å; L45-K49 WeakPolarHBondContact O-CG 3.46Å; L45-K49 PolarHBondContact O-N 3.45Å
46E98.3Very high97.7Very high108 Ų10847.2 Ų47.251%0.50524%0.239SC..Hα-helixtrans-65.4-48.4172.6-172.7168.3-14300110.9S42 F43 F44 S48 K49 E50S42-E46 WeakPolarHBondContact O-CB 3.02Å; S42-E46 PolarHBondContact O-N 3.2Å; F43-E46 PolarHBondContact O-N 2.99Å; F44-E46 VanDerWaalsContact C-N 3.34Å; E46-S48 VanDerWaalsContact C-N 3.27Å; E46-S48 PolarHBondContact O-N 3.45Å; E46-K49 WeakPolarHBondContact O-CB 3.4Å; E46-K49 PolarHBondContact O-N 3.23Å; E46-E50 PolarHBondContact O-N 2.88Å
47R97.4Very high97.9Very high16 Ų1648 Ų486%0.0623%0.23CC..Hα-helixtrans-56.1-40.8172.9-71.1-53.8-53.8-178.3-2.2112.7Y23 F43 F44 K49 E50 E51 D129 T133Y23-R47 HydrophobicContact CD1-CB 4.37Å; Y23-R47 HydrophobicContact CD2-CB 3.95Å; Y23-R47 HydrophobicContact CE2-CB 4.33Å; Y23-R47 HydrophobicContact CG-CB 3.97Å; F43-R47 HydrophobicContact CE1-CG 4.36Å; F43-R47 HydrophobicContact CE2-CG 4.36Å; F43-R47 HydrophobicContact CZ-CG 4.13Å; F43-R47 WeakPolarHBondContact O-CG 3.48Å; F43-R47 PolarHBondContact O-N 3.08Å; F44-R47 PolarHBondContact O-N 3.23Å; R47-K49 VanDerWaalsContact C-N 3.28Å; R47-K49 PolarHBondContact O-N 3.02Å; R47-E50 VanDerWaalsContact CD-OE2 3.25Å; R47-E50 WeakPolarHBondContact CD-OE2 3.45Å; R47-E50 IonicContact CZ-OE2 3.92Å; R47-E50 IonicContact NE-OE2 3.95Å; R47-E50 PolarHBondContact NE-OE2 3.28Å; R47-E50 IonicContact NH1-OE2 2.87Å; R47-E50 PolarHBondContact NH1-OE2 3.48Å; R47-E50 PolarHBondContact O-N 3.46Å; R47-E51 IonicContact CZ-OE1 2.76Å; R47-E51 IonicContact NH2-OE1 3.51Å; R47-E51 PolarHBondContact NH2-OE1 2.71Å; R47-E51 WeakPolarHBondContact O-CG 3.5Å; R47-E51 PolarHBondContact O-N 2.87Å; R47-D129 IonicContact NH1-OD1 3.94Å; R47-D129 IonicContact NH2-OD2 3.35Å; R47-T133 PolarHBondContact NH1-OG1 3.4Å; R47-T133 PolarHBondContact NH2-OG1 3.22Å
48S98.1Very high98Very high10 Ų1047.3 Ų47.37%0.0723%0.227CC..Hα-helixtrans-59-39.7176.1179.60000112.4S20 F44 L45 E46 R52S20-S48 WeakPolarHBondContact CB-O 3.41Å; S20-S48 WeakPolarHBondContact O-CB 3.44Å; S20-S48 PolarHBondContact O-OG 3.26Å; S20-S48 PolarHBondContact OG-O 3.09Å; S20-S48 PolarHBondContact OG-OG 3.16Å; F44-S48 WeakPolarHBondContact O-CB 3.43Å; F44-S48 PolarHBondContact O-N 2.96Å; L45-S48 WeakPolarHBondContact O-CB 3.48Å; L45-S48 PolarHBondContact O-N 3.1Å; E46-S48 VanDerWaalsContact C-N 3.27Å; E46-S48 PolarHBondContact O-N 3.45Å; S48-R52 PolarHBondContact O-N 3.02Å
49K98.4Very high98Very high122 Ų12246.3 Ų46.353%0.5322%0.219SC..Hα-helixtrans-68.4-47.4176.1-67.6170.2-174.3173.70111.2L45 E46 R47 E51 R52 E53L45-K49 WeakPolarHBondContact O-CG 3.46Å; L45-K49 PolarHBondContact O-N 3.45Å; E46-K49 WeakPolarHBondContact O-CB 3.4Å; E46-K49 PolarHBondContact O-N 3.23Å; R47-K49 VanDerWaalsContact C-N 3.28Å; R47-K49 PolarHBondContact O-N 3.02Å; K49-E51 PolarHBondContact O-N 3.45Å; K49-R52 WeakPolarHBondContact O-CA 3.03Å; K49-R52 WeakPolarHBondContact O-CB 3.47Å; K49-R52 PolarHBondContact O-N 3.29Å; K49-E53 WeakPolarHBondContact O-CG 3.01Å; K49-E53 PolarHBondContact O-N 3.42Å
50E97.1Very high98Very high60 Ų6049.4 Ų49.428%0.2823%0.233SC..Hα-helixtrans-58.1-44.6179.2-69.3176.3165.900112.1E46 R47 R52 E53 Q54E46-E50 PolarHBondContact O-N 2.88Å; R47-E50 VanDerWaalsContact CD-OE2 3.25Å; R47-E50 WeakPolarHBondContact CD-OE2 3.45Å; R47-E50 IonicContact CZ-OE2 3.92Å; R47-E50 IonicContact NE-OE2 3.95Å; R47-E50 PolarHBondContact NE-OE2 3.28Å; R47-E50 IonicContact NH1-OE2 2.87Å; R47-E50 PolarHBondContact NH1-OE2 3.48Å; R47-E50 PolarHBondContact O-N 3.46Å; E50-R52 VanDerWaalsContact C-N 3.27Å; E50-R52 PolarHBondContact O-N 3.42Å; E50-E53 PolarHBondContact O-N 3.39Å; E50-Q54 WeakPolarHBondContact O-CB 2.96Å; E50-Q54 WeakPolarHBondContact O-CG 3.09Å; E50-Q54 PolarHBondContact O-N 3.3Å
51E97.4Very high98Very high0 Ų049.9 Ų49.90%024%0.235CC..Hα-helixtrans-64.2-33.3176.7-65-57148.800112.3K16 A19 Y23 R47 K49 Q54 A55K16-E51 WeakPolarHBondContact CD-OE2 3.45Å; K16-E51 WeakPolarHBondContact CE-OE2 3.3Å; K16-E51 IonicContact NZ-OE1 3.42Å; K16-E51 IonicContact NZ-OE2 3.85Å; K16-E51 PolarHBondContact NZ-OE2 2.69Å; A19-E51 HydrophobicContact CB-CB 4.31Å; A19-E51 HydrophobicContact CB-CG 4Å; Y23-E51 HydrophobicContact CD2-CG 3.68Å; Y23-E51 HydrophobicContact CE2-CG 3.68Å; R47-E51 IonicContact CZ-OE1 2.76Å; R47-E51 IonicContact NH2-OE1 3.51Å; R47-E51 PolarHBondContact NH2-OE1 2.71Å; R47-E51 WeakPolarHBondContact O-CG 3.5Å; R47-E51 PolarHBondContact O-N 2.87Å; K49-E51 PolarHBondContact O-N 3.45Å; E51-Q54 PolarHBondContact O-N 2.94Å; E51-A55 PolarHBondContact O-N 3.28Å
52R98.2Very high98.1Very high126 Ų12649.6 Ų49.648%0.47523%0.233SC..Hα-helixtrans-71-43.1175.6-179.9162.457.4155.30.4111.7S48 K49 E50 Q54 A55 E56S48-R52 PolarHBondContact O-N 3.02Å; K49-R52 WeakPolarHBondContact O-CA 3.03Å; K49-R52 WeakPolarHBondContact O-CB 3.47Å; K49-R52 PolarHBondContact O-N 3.29Å; E50-R52 VanDerWaalsContact C-N 3.27Å; E50-R52 PolarHBondContact O-N 3.42Å; R52-Q54 VanDerWaalsContact C-N 3.26Å; R52-Q54 PolarHBondContact O-N 3.28Å; R52-A55 WeakPolarHBondContact O-CB 3.37Å; R52-A55 PolarHBondContact O-N 3.01Å; R52-A55 VanDerWaalsContact O-N 3.09Å; R52-E56 WeakPolarHBondContact O-CG 3.34Å; R52-E56 PolarHBondContact O-N 3.36Å
53E98.2Very high98Very high109 Ų10950.7 Ų50.751%0.50923%0.234SC..Hα-helixtrans-60.1-39173.7-71176-171.700111.1K49 E50 A55 E56 K57K49-E53 WeakPolarHBondContact O-CG 3.01Å; K49-E53 PolarHBondContact O-N 3.42Å; E50-E53 PolarHBondContact O-N 3.39Å; E53-A55 PolarHBondContact O-N 2.89Å; E53-E56 PolarHBondContact O-N 3.05Å; E53-K57 WeakPolarHBondContact O-CG 3.22Å; E53-K57 PolarHBondContact O-N 3.04Å
54Q97.6Very high98Very high13 Ų1355.4 Ų55.46%0.06126%0.263CS..Hα-helixtrans-63.5-38.3172.9-78.3-171.512.900113K16 E50 E51 R52 L58 F126 D129K16-Q54 HydrophobicContact CD-CB 4.1Å; E50-Q54 WeakPolarHBondContact O-CB 2.96Å; E50-Q54 WeakPolarHBondContact O-CG 3.09Å; E50-Q54 PolarHBondContact O-N 3.3Å; E51-Q54 PolarHBondContact O-N 2.94Å; R52-Q54 VanDerWaalsContact C-N 3.26Å; R52-Q54 PolarHBondContact O-N 3.28Å; Q54-L58 WeakPolarHBondContact O-CG 3.48Å; Q54-L58 PolarHBondContact O-N 2.89Å; Q54-F126 HydrophobicContact CB-CD1 4.44Å; Q54-F126 HydrophobicContact CB-CE1 3.85Å; Q54-F126 HydrophobicContact CG-CD1 4.33Å; Q54-F126 HydrophobicContact CG-CE1 4.06Å; Q54-D129 VanDerWaalsContact NE2-CG 3.3Å; Q54-D129 PolarHBondContact NE2-OD2 3.26Å
55A98Very high98Very high0 Ų058.1 Ų58.10%027%0.273CS..Hα-helixtrans-64-41.6172.600000111.8K16 L17 E51 R52 E53 L58 L59K16-A55 HydrophobicContact CB-CB 3.77Å; L17-A55 HydrophobicContact CD2-CB 3.75Å; L17-A55 HydrophobicContact CG-CB 3.83Å; E51-A55 PolarHBondContact O-N 3.28Å; R52-A55 WeakPolarHBondContact O-CB 3.37Å; R52-A55 PolarHBondContact O-N 3.01Å; R52-A55 VanDerWaalsContact O-N 3.09Å; E53-A55 PolarHBondContact O-N 2.89Å; A55-L58 PolarHBondContact O-N 3.09Å; A55-L59 WeakPolarHBondContact O-CG 3.44Å; A55-L59 PolarHBondContact O-N 3.4Å
56E98.3Very high97.9Very high97 Ų9758.4 Ų58.445%0.45329%0.287SS..Hα-helixtrans-63.1-45.1176.9-70.8171.2-172.800111.7R52 E53 L58 L59 E60R52-E56 WeakPolarHBondContact O-CG 3.34Å; R52-E56 PolarHBondContact O-N 3.36Å; E53-E56 PolarHBondContact O-N 3.05Å; E56-L58 VanDerWaalsContact C-N 3.29Å; E56-L58 PolarHBondContact O-N 3.49Å; E56-L59 WeakPolarHBondContact O-CB 3.44Å; E56-L59 PolarHBondContact O-N 2.93Å; E56-L59 VanDerWaalsContact O-N 3.09Å; E56-E60 PolarHBondContact O-N 3.01Å
57K98.2Very high97.9Very high80 Ų8053.3 Ų53.335%0.34826%0.264SS..Hα-helixtrans-54.3-43.8172.5-76.3-177.2179.5-171.90112.2E53 E60 Y61 Y121 E125 F126E53-K57 WeakPolarHBondContact O-CG 3.22Å; E53-K57 PolarHBondContact O-N 3.04Å; K57-E60 PolarHBondContact O-N 3.11Å; K57-Y61 WeakPolarHBondContact O-CB 3.39Å; K57-Y61 PolarHBondContact O-N 2.91Å; K57-Y121 VanDerWaalsContact C-OH 3.25Å; K57-Y121 WeakPolarHBondContact CB-OH 3.22Å; K57-Y121 PolarHBondContact O-OH 3.5Å; K57-E125 IonicContact NZ-OE2 3.39Å; K57-E125 PolarHBondContact NZ-OE2 2.92Å; K57-F126 HydrophobicContact CB-CZ 4.35Å
58L98.2Very high97.9Very high0 Ų060.6 Ų60.60%029%0.291CS..Hα-helixtrans-67.4-36.8177.4-70.9164.1000112.9V9 L12 I13 K16 Q54 A55 E56 Y61 Q62 Y121 F126V9-L58 HydrophobicContact CG1-CB 4.48Å; V9-L58 HydrophobicContact CG1-CD2 4.37Å; L12-L58 HydrophobicContact CB-CD1 4.18Å; L12-L58 HydrophobicContact CD2-CD1 3.71Å; L12-L58 HydrophobicContact CD2-CD2 3.89Å; L12-L58 HydrophobicContact CD2-CG 4.47Å; L12-L58 HydrophobicContact CG-CD1 3.53Å; I13-L58 HydrophobicContact CD1-CB 4.1Å; I13-L58 HydrophobicContact CG1-CB 3.44Å; I13-L58 VanDerWaalsContact CG1-CB 3.44Å; I13-L58 HydrophobicContact CG1-CD1 4.21Å; I13-L58 HydrophobicContact CG1-CG 4.45Å; K16-L58 HydrophobicContact CG-CD1 4.14Å; Q54-L58 WeakPolarHBondContact O-CG 3.48Å; Q54-L58 PolarHBondContact O-N 2.89Å; A55-L58 PolarHBondContact O-N 3.09Å; E56-L58 VanDerWaalsContact C-N 3.29Å; E56-L58 PolarHBondContact O-N 3.49Å; L58-Y61 PolarHBondContact O-N 2.9Å; L58-Q62 VanDerWaalsContact O-CB 3.31Å; L58-Q62 WeakPolarHBondContact O-CB 3.25Å; L58-Q62 PolarHBondContact O-N 3.26Å; L58-Y121 HydrophobicContact CD2-CE1 4.17Å; L58-F126 HydrophobicContact CD1-CE1 3.91Å; L58-F126 HydrophobicContact CD1-CZ 4.14Å; L58-F126 HydrophobicContact CD2-CE1 4.15Å; L58-F126 HydrophobicContact CD2-CE2 4.03Å; L58-F126 HydrophobicContact CD2-CZ 3.62Å; L58-F126 HydrophobicContact CG-CE1 3.82Å; L58-F126 HydrophobicContact CG-CE2 4.41Å; L58-F126 HydrophobicContact CG-CZ 3.52Å
59L98.3Very high97.9Very high36 Ų3662.8 Ų62.819%0.18830%0.302CS..Hα-helixtrans-62.1-45.8174.7-72164.5000110.9I13 A55 E56 Q62 N63 I69 L71I13-L59 HydrophobicContact CD1-CD2 3.82Å; I13-L59 HydrophobicContact CD1-CG 4.1Å; I13-L59 HydrophobicContact CG1-CD2 4.44Å; I13-L59 HydrophobicContact CG1-CG 4.33Å; I13-L59 HydrophobicContact CG2-CD1 4.49Å; I13-L59 HydrophobicContact CG2-CD2 3.94Å; I13-L59 HydrophobicContact CG2-CG 4.05Å; A55-L59 WeakPolarHBondContact O-CG 3.44Å; A55-L59 PolarHBondContact O-N 3.4Å; E56-L59 WeakPolarHBondContact O-CB 3.44Å; E56-L59 PolarHBondContact O-N 2.93Å; E56-L59 VanDerWaalsContact O-N 3.09Å; L59-Q62 PolarHBondContact O-N 2.91Å; L59-N63 PolarHBondContact O-N 2.88Å; L59-N63 VanDerWaalsContact O-N 3.16Å; L59-N63 PolarHBondContact O-ND2 3.2Å; L59-I69 HydrophobicContact CB-CD1 4.2Å; L59-I69 HydrophobicContact CD2-CB 4.25Å; L59-I69 HydrophobicContact CD2-CD1 3.67Å; L59-I69 HydrophobicContact CD2-CG1 3.83Å; L59-I69 HydrophobicContact CD2-CG2 3.39Å; L59-L71 HydrophobicContact CD2-CD2 4.1Å
60E98.3Very high97.7Very high131 Ų13162.5 Ų62.561%0.61231%0.305SS*.Hα-helixtrans-63-42.6175.2-69.2-179.117900111.8E56 K57 N63 T64E56-E60 PolarHBondContact O-N 3.01Å; K57-E60 PolarHBondContact O-N 3.11Å; E60-N63 PolarHBondContact O-N 3.45Å; E60-T64 WeakPolarHBondContact O-CB 3.48Å; E60-T64 PolarHBondContact O-N 3.45Å; E60-T64 PolarHBondContact O-OG1 3Å
61Y98.1Very high97.5Very high9 Ų964.9 Ų64.94%0.03532%0.319CS..Hα-helixtrans-61.9-46176.6-173.8-90000112.1K57 L58 N63 T64 R65 H117 L118 Y121K57-Y61 WeakPolarHBondContact O-CB 3.39Å; K57-Y61 PolarHBondContact O-N 2.91Å; L58-Y61 PolarHBondContact O-N 2.9Å; Y61-N63 VanDerWaalsContact C-N 3.29Å; Y61-N63 PolarHBondContact O-N 3.19Å; Y61-T64 WeakPolarHBondContact O-CB 3.4Å; Y61-T64 PolarHBondContact O-N 3.34Å; Y61-T64 VanDerWaalsContact O-N 3.09Å; Y61-R65 HydrophobicContact CD1-CG 3.89Å; Y61-R65 HydrophobicContact CE1-CG 3.38Å; Y61-R65 HydrophobicContact CE2-CG 4.39Å; Y61-R65 WeakPolarHBondContact O-CG 3.45Å; Y61-R65 PolarHBondContact O-N 3.47Å; Y61-R65 PolarHBondContact OH-NH1 3.35Å; Y61-H117 AromaticContact CE2-CE1 3.54Å; Y61-H117 AromaticContact CE2-ND1 3.59Å; Y61-H117 AromaticContact CZ-ND1 3.61Å; Y61-H117 VanDerWaalsContact OH-C 3.29Å; Y61-H117 PolarHBondContact OH-ND1 2.92Å; Y61-H117 PolarHBondContact OH-O 2.71Å; Y61-H117 VanDerWaalsContact OH-O 3.09Å; Y61-L118 HydrophobicContact CD1-CD1 4.33Å; Y61-L118 HydrophobicContact CE1-CD1 3.56Å; Y61-L118 WeakPolarHBondContact OH-CA 3.42Å; Y61-L118 WeakPolarHBondContact OH-CB 3.43Å; Y61-L118 PolarHBondContact OH-N 2.95Å; Y61-Y121 HydrophobicContact CD1-CD1 4.17Å; Y61-Y121 HydrophobicContact CD1-CE1 4.14Å; Y61-Y121 AromaticContact CD2-CD1 3.4Å; Y61-Y121 HydrophobicContact CD2-CD1 3.4Å; Y61-Y121 VanDerWaalsContact CD2-CD1 3.4Å; Y61-Y121 AromaticContact CD2-CD2 3.5Å; Y61-Y121 HydrophobicContact CD2-CD2 3.5Å; Y61-Y121 VanDerWaalsContact CD2-CD2 3.5Å; Y61-Y121 AromaticContact CD2-CE1 3.43Å; Y61-Y121 HydrophobicContact CD2-CE1 3.43Å; Y61-Y121 VanDerWaalsContact CD2-CE1 3.43Å; Y61-Y121 AromaticContact CD2-CE2 3.54Å; Y61-Y121 HydrophobicContact CD2-CE2 3.54Å; Y61-Y121 AromaticContact CD2-CG 3.43Å; Y61-Y121 HydrophobicContact CD2-CG 3.43Å; Y61-Y121 VanDerWaalsContact CD2-CG 3.43Å; Y61-Y121 AromaticContact CD2-CZ 3.51Å; Y61-Y121 HydrophobicContact CE1-CD1 4.28Å; Y61-Y121 AromaticContact CE2-CD1 3.48Å; Y61-Y121 HydrophobicContact CE2-CD1 3.48Å; Y61-Y121 VanDerWaalsContact CE2-CD1 3.48Å; Y61-Y121 AromaticContact CE2-CD2 3.62Å; Y61-Y121 HydrophobicContact CE2-CD2 3.62Å; Y61-Y121 HydrophobicContact CE2-CE1 4.03Å; Y61-Y121 HydrophobicContact CE2-CE2 4.17Å; Y61-Y121 AromaticContact CE2-CG 3.24Å; Y61-Y121 HydrophobicContact CE2-CG 3.24Å; Y61-Y121 AromaticContact CG-CD1 3.74Å; Y61-Y121 HydrophobicContact CG-CD1 3.74Å; Y61-Y121 HydrophobicContact CG-CD2 4.49Å; Y61-Y121 AromaticContact CG-CE1 3.47Å; Y61-Y121 HydrophobicContact CG-CE1 3.47Å; Y61-Y121 VanDerWaalsContact CG-CE1 3.47Å; Y61-Y121 HydrophobicContact CG-CE2 4.27Å; Y61-Y121 HydrophobicContact CG-CG 4.24Å; Y61-Y121 AromaticContact CG-CZ 3.77Å; Y61-Y121 AromaticContact CZ-CD1 3.92Å; Y61-Y121 AromaticContact CZ-CG 3.98Å
62Q98.1Very high97.3Very high0 Ų071.2 Ų71.20%035%0.349CS..Hα-helixtrans-54.3-47.5176.7-176.771.6-67.900110.8Y1 E6 V9 N10 L58 L59 R65 G66 G67 I69Y1-Q62 VanDerWaalsContact CZ-OE1 3.28Å; Y1-Q62 PolarHBondContact OH-OE1 2.98Å; E6-Q62 PolarHBondContact O-NE2 3.24Å; V9-Q62 HydrophobicContact CG1-CB 4.19Å; N10-Q62 VanDerWaalsContact CG-NE2 3.25Å; N10-Q62 PolarHBondContact ND2-NE2 3.35Å; N10-Q62 PolarHBondContact OD1-NE2 2.91Å; L58-Q62 VanDerWaalsContact O-CB 3.31Å; L58-Q62 WeakPolarHBondContact O-CB 3.25Å; L58-Q62 PolarHBondContact O-N 3.26Å; L59-Q62 PolarHBondContact O-N 2.91Å; Q62-R65 PolarHBondContact O-N 3.33Å; Q62-G66 PolarHBondContact O-N 3.35Å; Q62-G67 WeakPolarHBondContact O-CA 3.46Å; Q62-G67 PolarHBondContact O-N 3.34Å; Q62-I69 HydrophobicContact CB-CG1 4.21Å; Q62-I69 HydrophobicContact CG-CG1 3.84Å
63N98Very high97.1Very high93 Ų9371.7 Ų71.750%0.49737%0.366SS..Hα-helixtrans-65-41.6175.9-74.4-28.5000112.5L59 E60 Y61 R65 G66 I69L59-N63 PolarHBondContact O-N 2.88Å; L59-N63 VanDerWaalsContact O-N 3.16Å; L59-N63 PolarHBondContact O-ND2 3.2Å; E60-N63 PolarHBondContact O-N 3.45Å; Y61-N63 VanDerWaalsContact C-N 3.29Å; Y61-N63 PolarHBondContact O-N 3.19Å; N63-R65 VanDerWaalsContact C-N 3.27Å; N63-R65 PolarHBondContact O-N 3.07Å; N63-G66 PolarHBondContact O-N 3.14Å; N63-I69 VanDerWaalsContact ND2-CD1 3.34Å; N63-I69 WeakPolarHBondContact ND2-CD1 3.42Å; N63-I69 WeakPolarHBondContact OD1-CD1 3.42Å
64T97.8Very high96.8Very high109 Ų10970.3 Ų70.367%0.66936%0.361SS*.Hα-helixtrans-60.2-37178.8-61.30000112E60 Y61 G66E60-T64 WeakPolarHBondContact O-CB 3.48Å; E60-T64 PolarHBondContact O-N 3.45Å; E60-T64 PolarHBondContact O-OG1 3Å; Y61-T64 WeakPolarHBondContact O-CB 3.4Å; Y61-T64 PolarHBondContact O-N 3.34Å; Y61-T64 VanDerWaalsContact O-N 3.09Å; T64-G66 PolarHBondContact O-N 3.44Å
65R97.6Very high96.3Very high57 Ų5772.6 Ų72.622%0.21538%0.383CS..THydrogen-bonded Turntrans-79.3-2.6176.7-60.7-57-60.5-78.1-0.3113.7Y1 Y61 Q62 N63 G67 D115Y1-R65 HydrophobicContact CD1-CB 3.89Å; Y1-R65 HydrophobicContact CD2-CB 3.99Å; Y1-R65 HydrophobicContact CD2-CG 4.24Å; Y1-R65 HydrophobicContact CE1-CB 4.02Å; Y1-R65 HydrophobicContact CE2-CB 4.14Å; Y1-R65 HydrophobicContact CE2-CG 4.21Å; Y1-R65 HydrophobicContact CG-CB 3.88Å; Y61-R65 HydrophobicContact CD1-CG 3.89Å; Y61-R65 HydrophobicContact CE1-CG 3.38Å; Y61-R65 HydrophobicContact CE2-CG 4.39Å; Y61-R65 WeakPolarHBondContact O-CG 3.45Å; Y61-R65 PolarHBondContact O-N 3.47Å; Y61-R65 PolarHBondContact OH-NH1 3.35Å; Q62-R65 PolarHBondContact O-N 3.33Å; N63-R65 VanDerWaalsContact C-N 3.27Å; N63-R65 PolarHBondContact O-N 3.07Å; R65-G67 VanDerWaalsContact C-N 3.33Å; R65-D115 IonicContact CZ-OD1 3.45Å; R65-D115 IonicContact CZ-OD2 3.49Å; R65-D115 IonicContact NH1-OD1 2.86Å; R65-D115 PolarHBondContact NH1-OD1 3.48Å; R65-D115 IonicContact NH1-OD2 2.82Å; R65-D115 PolarHBondContact NH1-OD2 3.37Å; R65-D115 VanDerWaalsContact NH2-CG 3.25Å; R65-D115 IonicContact NH2-OD1 2.72Å; R65-D115 PolarHBondContact NH2-OD1 3.04Å; R65-D115 IonicContact NH2-OD2 3.11Å; R65-D115 PolarHBondContact NH2-OD2 3.31Å
66G97.1Very high95.8Very high50 Ų5079.5 Ų79.552%0.51541%0.413SS..THydrogen-bonded Turntrans80.99.5-176.900000114.5Q62 N63 T64 R68Q62-G66 PolarHBondContact O-N 3.35Å; N63-G66 PolarHBondContact O-N 3.14Å; T64-G66 PolarHBondContact O-N 3.44Å; G66-R68 PolarHBondContact O-NH1 3.18Å
67G97.2Very high95Very high2 Ų275.5 Ų75.52%0.02140%0.395CS..  trans-70.7-179.4177.400000113.3E6 Q62 R65E6-G67 WeakPolarHBondContact OE1-CA 3.48Å; Q62-G67 WeakPolarHBondContact O-CA 3.46Å; Q62-G67 PolarHBondContact O-N 3.34Å; R65-G67 VanDerWaalsContact C-N 3.33Å
68R97.8Very high94Very high168 Ų16877.2 Ų77.263%0.63442%0.417SS*.  trans-121.5125.4178.1-64-65.9174.1-107.23.7110.2E6 N10 G66 L70E6-R68 PolarHBondContact OE1-N 3.34Å; N10-R68 PolarHBondContact ND2-O 2.92Å; N10-R68 PolarHBondContact OD1-O 2.97Å; G66-R68 PolarHBondContact O-NH1 3.18Å; R68-L70 PolarHBondContact O-N 3.18Å
69I97.4Very high93Very high57 Ų5780.1 Ų80.129%0.29243%0.428SS..  trans-73126.8177.2-65.6164.7000109N10 L59 Q62 N63 L71N10-I69 WeakPolarHBondContact OD1-CA 3.23Å; L59-I69 HydrophobicContact CB-CD1 4.2Å; L59-I69 HydrophobicContact CD2-CB 4.25Å; L59-I69 HydrophobicContact CD2-CD1 3.67Å; L59-I69 HydrophobicContact CD2-CG1 3.83Å; L59-I69 HydrophobicContact CD2-CG2 3.39Å; Q62-I69 HydrophobicContact CB-CG1 4.21Å; Q62-I69 HydrophobicContact CG-CG1 3.84Å; N63-I69 VanDerWaalsContact ND2-CD1 3.34Å; N63-I69 WeakPolarHBondContact ND2-CD1 3.42Å; N63-I69 WeakPolarHBondContact OD1-CD1 3.42Å; I69-L71 HydrophobicContact CG2-CD2 4.23Å; I69-L71 HydrophobicContact CG2-CG 3.92Å
70L95.3Very high92Very high116 Ų11684 Ų8461%0.60745%0.445SS*.  trans-12589.9172.5-63.6176.6000109.2N10 N14 R68N10-L70 PolarHBondContact OD1-N 3.14Å; N10-L70 VanDerWaalsContact OD1-N 3.13Å; N14-L70 PolarHBondContact ND2-O 3.37Å; R68-L70 PolarHBondContact O-N 3.18Å
71L92.9Very high91.2Very high110 Ų11082 Ų8258%0.57644%0.439SS*.  trans-71.1136.7173.5-65.7177.2000110I13 L17 L59 I69I13-L71 HydrophobicContact CG2-CD2 3.8Å; L17-L71 HydrophobicContact CD1-CD2 4.05Å; L59-L71 HydrophobicContact CD2-CD2 4.1Å; I69-L71 HydrophobicContact CG2-CD2 4.23Å; I69-L71 HydrophobicContact CG2-CG 3.92Å
72Q93Very high90.7Very high133 Ų13382.3 Ų82.362%0.62144%0.44SS*.  trans-114.1172.3177.6-60.7-173.7-37.600109.8N14 I74N14-Q72 PolarHBondContact ND2-N 2.95Å; N14-Q72 WeakPolarHBondContact OD1-CA 3.44Å; N14-Q72 WeakPolarHBondContact OD1-CB 3.45Å; N14-Q72 PolarHBondContact OD1-N 3.49Å; N14-Q72 PolarHBondContact OD1-O 2.87Å; Q72-I74 PolarHBondContact O-N 3.5Å
73T93.9Very high90.2Very high136 Ų13691.5 Ų91.583%0.83448%0.475SS*.  trans-60.3124.3173.8-53.30000110A75T73-A75 PolarHBondContact O-N 3.38Å
74I92.9Very high89.9Confident79 Ų7987.5 Ų87.541%0.40546%0.456SS..  trans-78.1110.3170.9-57.2164.2000106.9L17 N18 Q72L17-I74 HydrophobicContact CB-CD1 3.75Å; L17-I74 HydrophobicContact CB-CG1 4.02Å; L17-I74 HydrophobicContact CD1-CD1 4.15Å; L17-I74 HydrophobicContact CG-CD1 4.43Å; N18-I74 HydrophobicContact CB-CG2 4.18Å; Q72-I74 PolarHBondContact O-N 3.5Å
75A86.3Confident89.6Confident62 Ų6282.3 Ų82.351%0.51242%0.424SS..PPolyproline II helixtrans-63.1147.9174.900000110N18 T73N18-A75 PolarHBondContact ND2-O 3.3Å; T73-A75 PolarHBondContact O-N 3.38Å
76K86.3Confident89.5Confident145 Ų14582.2 Ų82.263%0.6343%0.427SS*.PPolyproline II helixtrans-60.8156.416969.6171.8-161.5145.10110.3S78 E80K76-S78 PolarHBondContact O-N 3.39Å; K76-E80 IonicContact NZ-OE1 2.83Å; K76-E80 PolarHBondContact NZ-OE1 2.69Å
77P83.4Confident89.4Confident13 Ų1381.7 Ų81.78%0.08441%0.413CS..PPolyproline II helixtrans-51.6136.6174.4-26.336.4000110.7T22 A25 R79T22-P77 HydrophobicContact CG2-CB 4.34Å; A25-P77 HydrophobicContact CB-CG 3.95Å; P77-R79 PolarHBondContact O-N 2.92Å
78S75.7Confident89.3Confident116 Ų11681.6 Ų81.681%0.81141%0.412SS*.SBendtrans-67.3-17.9-177.954.20000113K76K76-S78 PolarHBondContact O-N 3.39Å
79R78.8Confident89.3Confident60 Ų6073.6 Ų73.623%0.22638%0.381CS..  trans-134.3138.3-176.5-164.8175.1179.4-160.5-13.6109.7P77 D81 W82 D87 F91P77-R79 PolarHBondContact O-N 2.92Å; R79-D81 WeakPolarHBondContact CG-OD1 3.2Å; R79-D81 IonicContact CZ-OD1 2.95Å; R79-D81 IonicContact NE-OD1 3Å; R79-D81 PolarHBondContact NE-OD1 2.67Å; R79-D81 PolarHBondContact NH2-O 3.45Å; R79-D81 IonicContact NH2-OD1 3.78Å; R79-W82 WeakPolarHBondContact O-CH2 3.39Å; R79-W82 WeakPolarHBondContact O-CZ2 3.48Å; R79-D87 IonicContact CZ-OD1 2.67Å; R79-D87 IonicContact CZ-OD2 3.65Å; R79-D87 VanDerWaalsContact CZ-OD2 3.24Å; R79-D87 IonicContact NH1-OD1 3.38Å; R79-D87 PolarHBondContact NH1-OD1 2.91Å; R79-D87 IonicContact NH1-OD2 3.17Å; R79-D87 PolarHBondContact NH1-OD2 3.43Å; R79-D87 IonicContact NH2-OD1 3.97Å; R79-D87 PolarHBondContact NH2-OD1 3.2Å; R79-D87 IonicContact NH2-OD2 2.72Å; R79-D87 PolarHBondContact NH2-OD2 3.42Å; R79-F91 HydrophobicContact CB-CE2 4.28Å
80E76Confident89.2Confident117 Ų11773.4 Ų73.455%0.54738%0.383SS..  trans-130.7-3.6177.2-66.4172.9-156.600111.5K76K76-E80 IonicContact NZ-OE1 2.83Å; K76-E80 PolarHBondContact NZ-OE1 2.69Å
81D82.3Confident89.3Confident90 Ų9069.4 Ų69.448%0.48136%0.361SS..  trans-106.150.1-174.972-32.8000112.3R79R79-D81 WeakPolarHBondContact CG-OD1 3.2Å; R79-D81 IonicContact CZ-OD1 2.95Å; R79-D81 IonicContact NE-OD1 3Å; R79-D81 PolarHBondContact NE-OD1 2.67Å; R79-D81 PolarHBondContact NH2-O 3.45Å; R79-D81 IonicContact NH2-OD1 3.78Å
82W87.6Confident89.4Confident15 Ų1564.2 Ų64.26%0.05733%0.333CS..  trans-65.8142.3174.6-56.4-76.9000111.1A25 L26 Y29 R79 D87 F91A25-W82 HydrophobicContact CB-CH2 3.74Å; A25-W82 HydrophobicContact CB-CZ3 4.23Å; L26-W82 HydrophobicContact CD2-CB 4.42Å; L26-W82 HydrophobicContact CD2-CD2 3.5Å; L26-W82 VanDerWaalsContact CD2-CD2 3.5Å; L26-W82 VanDerWaalsContact CD2-CE2 3.46Å; L26-W82 HydrophobicContact CD2-CE3 4.11Å; L26-W82 HydrophobicContact CD2-CG 3.63Å; L26-W82 HydrophobicContact CD2-CZ2 4.03Å; L26-W82 HydrophobicContact CG-CD2 4.2Å; L26-W82 HydrophobicContact CG-CH2 4.28Å; L26-W82 HydrophobicContact CG-CZ2 3.8Å; Y29-W82 HydrophobicContact CD1-CB 4.35Å; Y29-W82 HydrophobicContact CD2-CE3 4.33Å; Y29-W82 HydrophobicContact CE1-CB 4.21Å; Y29-W82 HydrophobicContact CE2-CB 4.5Å; Y29-W82 WeakPolarHBondContact CE2-O 3.4Å; Y29-W82 HydrophobicContact CG-CE3 4.12Å; Y29-W82 VanDerWaalsContact CZ-O 3.32Å; Y29-W82 PolarHBondContact OH-O 2.84Å; Y29-W82 VanDerWaalsContact OH-O 3.13Å; R79-W82 WeakPolarHBondContact O-CH2 3.39Å; R79-W82 WeakPolarHBondContact O-CZ2 3.48Å; W82-D87 WeakPolarHBondContact CA-OD2 3.5Å; W82-F91 AromaticContact NE1-CD1 3.74Å; W82-F91 AromaticContact NE1-CG 3.97Å
83R87.8Confident89.6Confident193 Ų19358.8 Ų58.873%0.72831%0.309SS*.  trans-121.180.6-176.6-58.7-175.1-173.5-163.71.4110D87R83-D87 HydrophobicContact CB-CB 4.33Å; R83-D87 PolarHBondContact N-OD2 3.19Å; R83-D87 VanDerWaalsContact O-CB 3.25Å; R83-D87 WeakPolarHBondContact O-CB 3.49Å
84G90.3Very high89.7Confident10 Ų1056.7 Ų56.710%0.10329%0.293CS..Hα-helixtrans76.1-173.8177.800000114.4Y29 A88Y29-G84 PolarHBondContact OH-N 3.29Å; G84-A88 WeakPolarHBondContact O-CB 3.41Å; G84-A88 PolarHBondContact O-N 2.87Å
85G93.3Very high89.8Confident0 Ų054.6 Ų54.60%028%0.281CS..Hα-helixtrans-67.2-42.3-173.500000113.4D87 A88 L89 E158G85-D87 PolarHBondContact O-N 3.22Å; G85-A88 PolarHBondContact O-N 2.94Å; G85-L89 WeakPolarHBondContact O-CB 3.43Å; G85-L89 VanDerWaalsContact O-CG 3.29Å; G85-L89 WeakPolarHBondContact O-CG 3.38Å; G85-L89 PolarHBondContact O-N 2.82Å; G85-E158 PolarHBondContact N-OE1 3.11Å
86L94.6Very high90.3Very high54 Ų5451.6 Ų51.628%0.28326%0.256SS..Hα-helixtrans-66.6-41.5-175.5-17462.8000112.1T90 I141 L144L86-T90 WeakPolarHBondContact O-CB 3.42Å; L86-T90 PolarHBondContact O-N 3.44Å; L86-T90 PolarHBondContact O-OG1 3.44Å; L86-I141 HydrophobicContact CD1-CG2 4.03Å; L86-L144 HydrophobicContact CB-CD2 3.88Å; L86-L144 HydrophobicContact CB-CG 4.42Å; L86-L144 HydrophobicContact CD1-CB 4.37Å; L86-L144 HydrophobicContact CD1-CD2 4.3Å; L86-L144 HydrophobicContact CD1-CG 4.38Å
87D94.8Very high90.8Very high39 Ų3949.1 Ų49.121%0.20925%0.245CC..Hα-helixtrans-66.4-44176.9-178.242.2000111.3R79 W82 R83 G85 L89 T90 F91R79-D87 IonicContact CZ-OD1 2.67Å; R79-D87 IonicContact CZ-OD2 3.65Å; R79-D87 VanDerWaalsContact CZ-OD2 3.24Å; R79-D87 IonicContact NH1-OD1 3.38Å; R79-D87 PolarHBondContact NH1-OD1 2.91Å; R79-D87 IonicContact NH1-OD2 3.17Å; R79-D87 PolarHBondContact NH1-OD2 3.43Å; R79-D87 IonicContact NH2-OD1 3.97Å; R79-D87 PolarHBondContact NH2-OD1 3.2Å; R79-D87 IonicContact NH2-OD2 2.72Å; R79-D87 PolarHBondContact NH2-OD2 3.42Å; W82-D87 WeakPolarHBondContact CA-OD2 3.5Å; R83-D87 HydrophobicContact CB-CB 4.33Å; R83-D87 PolarHBondContact N-OD2 3.19Å; R83-D87 VanDerWaalsContact O-CB 3.25Å; R83-D87 WeakPolarHBondContact O-CB 3.49Å; G85-D87 PolarHBondContact O-N 3.22Å; D87-L89 PolarHBondContact O-N 3.18Å; D87-T90 PolarHBondContact O-N 3.38Å; D87-F91 WeakPolarHBondContact O-CB 3.36Å; D87-F91 PolarHBondContact O-N 3.15Å
88A95.6Very high91.4Very high0 Ų052.2 Ų52.20%027%0.268CS..Hα-helixtrans-61.1-44.4175.700000112.9L26 F30 F44 G84 G85 S92L26-A88 HydrophobicContact CD2-CB 3.74Å; F30-A88 HydrophobicContact CE2-CB 3.58Å; F30-A88 HydrophobicContact CZ-CB 3.48Å; F30-A88 VanDerWaalsContact CZ-CB 3.48Å; F44-A88 HydrophobicContact CE2-CB 4.05Å; F44-A88 HydrophobicContact CZ-CB 4.01Å; G84-A88 WeakPolarHBondContact O-CB 3.41Å; G84-A88 PolarHBondContact O-N 2.87Å; G85-A88 PolarHBondContact O-N 2.94Å; A88-S92 WeakPolarHBondContact O-CB 3.49Å; A88-S92 PolarHBondContact O-N 3.37Å; A88-S92 PolarHBondContact O-OG 3.31Å
89L97.1Very high92.3Very high0 Ų047 Ų470%023%0.23CC..Hα-helixtrans-65.6-41177.3-72.4169.2000111.8F40 F43 F44 G85 D87 S92 L93 L137 Y140 I141 L144 F161F40-L89 HydrophobicContact CE1-CD1 3.99Å; F40-L89 HydrophobicContact CE1-CD2 4.5Å; F40-L89 HydrophobicContact CE1-CG 4.1Å; F40-L89 HydrophobicContact CZ-CD1 4.33Å; F43-L89 HydrophobicContact CE1-CD2 4.28Å; F44-L89 HydrophobicContact CZ-CD2 4.35Å; G85-L89 WeakPolarHBondContact O-CB 3.43Å; G85-L89 VanDerWaalsContact O-CG 3.29Å; G85-L89 WeakPolarHBondContact O-CG 3.38Å; G85-L89 PolarHBondContact O-N 2.82Å; D87-L89 PolarHBondContact O-N 3.18Å; L89-S92 PolarHBondContact O-N 3Å; L89-L93 WeakPolarHBondContact O-CB 3.4Å; L89-L93 PolarHBondContact O-N 3.42Å; L89-L137 HydrophobicContact CD2-CD2 3.78Å; L89-Y140 HydrophobicContact CD2-CD2 4.12Å; L89-I141 HydrophobicContact CB-CD1 4.42Å; L89-I141 HydrophobicContact CB-CG1 3.73Å; L89-L144 HydrophobicContact CD1-CD2 4.03Å; L89-F161 HydrophobicContact CD1-CE1 4.21Å; L89-F161 HydrophobicContact CD1-CZ 4.34Å
90T96.6Very high93.2Very high53 Ų5344.9 Ų44.933%0.32522%0.224SC..Hα-helixtrans-63.4-48.3177.4-56.80000111L86 D87 S92 L93 D94L86-T90 WeakPolarHBondContact O-CB 3.42Å; L86-T90 PolarHBondContact O-N 3.44Å; L86-T90 PolarHBondContact O-OG1 3.44Å; D87-T90 PolarHBondContact O-N 3.38Å; T90-S92 VanDerWaalsContact C-N 3.29Å; T90-S92 PolarHBondContact O-N 3.27Å; T90-L93 PolarHBondContact O-N 2.98Å; T90-D94 PolarHBondContact O-N 2.86Å; T90-D94 VanDerWaalsContact O-N 3.11Å
91F95.6Very high94.2Very high33 Ų3343 Ų4315%0.14522%0.22CC..Hα-helixtrans-55.9-45.5173.5169-94.1000111.7T22 L26 R79 W82 D87 L93 D94 H95T22-F91 HydrophobicContact CG2-CE1 3.51Å; T22-F91 HydrophobicContact CG2-CZ 3.73Å; L26-F91 HydrophobicContact CD1-CD1 4.06Å; L26-F91 HydrophobicContact CD1-CE1 4.13Å; R79-F91 HydrophobicContact CB-CE2 4.28Å; W82-F91 AromaticContact NE1-CD1 3.74Å; W82-F91 AromaticContact NE1-CG 3.97Å; D87-F91 WeakPolarHBondContact O-CB 3.36Å; D87-F91 PolarHBondContact O-N 3.15Å; F91-L93 PolarHBondContact O-N 3.4Å; F91-D94 PolarHBondContact O-N 2.87Å; F91-H95 WeakPolarHBondContact O-CB 3.38Å; F91-H95 PolarHBondContact O-N 3.37Å
92S95.9Very high95Very high0 Ų040.9 Ų40.90%021%0.207CC..Hα-helixtrans-65-38.8-179.4-58.40000112.2F44 A88 L89 T90 H95 Q96F44-S92 WeakPolarHBondContact CE1-OG 3.35Å; A88-S92 WeakPolarHBondContact O-CB 3.49Å; A88-S92 PolarHBondContact O-N 3.37Å; A88-S92 PolarHBondContact O-OG 3.31Å; L89-S92 PolarHBondContact O-N 3Å; T90-S92 VanDerWaalsContact C-N 3.29Å; T90-S92 PolarHBondContact O-N 3.27Å; S92-H95 PolarHBondContact O-N 2.98Å; S92-Q96 WeakPolarHBondContact O-CB 3.34Å; S92-Q96 PolarHBondContact O-N 3.49Å
93L97.6Very high95.4Very high20 Ų2040.1 Ų40.111%0.10520%0.204CC..Hα-helixtrans-62.7-46.1176.2176.460.6000111.5L89 T90 F91 H95 Q96 K97 I134 L137 I141L89-L93 WeakPolarHBondContact O-CB 3.4Å; L89-L93 PolarHBondContact O-N 3.42Å; T90-L93 PolarHBondContact O-N 2.98Å; F91-L93 PolarHBondContact O-N 3.4Å; L93-H95 VanDerWaalsContact C-N 3.35Å; L93-Q96 PolarHBondContact O-N 3.49Å; L93-K97 HydrophobicContact CD1-CD 4.49Å; L93-K97 HydrophobicContact CD1-CG 4.49Å; L93-K97 HydrophobicContact CG-CD 4.41Å; L93-K97 WeakPolarHBondContact O-CG 3.43Å; L93-K97 PolarHBondContact O-N 2.72Å; L93-I134 HydrophobicContact CD1-CB 4.35Å; L93-I134 HydrophobicContact CD1-CG2 3.88Å; L93-I134 WeakPolarHBondContact CD1-O 3.35Å; L93-L137 HydrophobicContact CB-CB 4.16Å; L93-L137 HydrophobicContact CB-CD1 4.47Å; L93-L137 HydrophobicContact CD1-CB 4.07Å; L93-I141 HydrophobicContact CB-CD1 3.89Å; L93-I141 HydrophobicContact CD2-CD1 3.56Å; L93-I141 HydrophobicContact CG-CD1 4.36Å
94D96.1Very high95.9Very high92 Ų9234 Ų3449%0.49219%0.185SC..Hα-helixtrans-67.7-38.3179-70.9-21.5000111.5T90 F91 K97 S98T90-D94 PolarHBondContact O-N 2.86Å; T90-D94 VanDerWaalsContact O-N 3.11Å; F91-D94 PolarHBondContact O-N 2.87Å; D94-K97 PolarHBondContact O-N 3.34Å; D94-S98 PolarHBondContact O-N 2.75Å
95H94.3Very high96.3Very high34 Ų3435.7 Ų35.716%0.15719%0.192CC..Hα-helixtrans-61.2-47.2173.6-165.167.3000111.5F91 S92 L93 K97 S98 L99F91-H95 WeakPolarHBondContact O-CB 3.38Å; F91-H95 PolarHBondContact O-N 3.37Å; S92-H95 PolarHBondContact O-N 2.98Å; L93-H95 VanDerWaalsContact C-N 3.35Å; H95-K97 PolarHBondContact O-N 3.13Å; H95-S98 WeakPolarHBondContact O-CB 3.34Å; H95-S98 PolarHBondContact O-N 3.03Å; H95-L99 WeakPolarHBondContact O-CG 3.47Å; H95-L99 PolarHBondContact O-N 2.66Å
96Q96.2Very high96.5Very high0 Ų035.7 Ų35.70%019%0.192CC..Hα-helixtrans-63.3-40.1178-168.765.620.800112.4S92 L93 S98 L99 N100 T133 I134 L137S92-Q96 WeakPolarHBondContact O-CB 3.34Å; S92-Q96 PolarHBondContact O-N 3.49Å; L93-Q96 PolarHBondContact O-N 3.49Å; Q96-S98 VanDerWaalsContact C-N 3.33Å; Q96-S98 PolarHBondContact O-N 2.89Å; Q96-L99 PolarHBondContact O-N 3.24Å; Q96-N100 WeakPolarHBondContact O-CB 3.22Å; Q96-N100 PolarHBondContact O-N 2.69Å; Q96-T133 HydrophobicContact CG-CG2 3.88Å; Q96-I134 HydrophobicContact CB-CG1 4.11Å; Q96-I134 HydrophobicContact CG-CD1 4.28Å; Q96-I134 HydrophobicContact CG-CG1 3.6Å; Q96-L137 HydrophobicContact CB-CD1 4.29Å
97K97.6Very high96.7Very high92 Ų9235 Ų3540%0.419%0.188SC..Hα-helixtrans-61.3-41.8174.1-75.2171.8-177.9167.50111.7L93 D94 H95 N100 T101 I134L93-K97 HydrophobicContact CD1-CD 4.49Å; L93-K97 HydrophobicContact CD1-CG 4.49Å; L93-K97 HydrophobicContact CG-CD 4.41Å; L93-K97 WeakPolarHBondContact O-CG 3.43Å; L93-K97 PolarHBondContact O-N 2.72Å; D94-K97 PolarHBondContact O-N 3.34Å; H95-K97 PolarHBondContact O-N 3.13Å; K97-N100 WeakPolarHBondContact O-CB 3.19Å; K97-N100 PolarHBondContact O-N 3.29Å; K97-T101 PolarHBondContact O-N 3.19Å; K97-T101 PolarHBondContact O-OG1 2.73Å; K97-I134 HydrophobicContact CG-CD1 4.13Å; K97-I134 HydrophobicContact CG-CG1 4.33Å
98S95.9Very high96.8Very high79 Ų7940.4 Ų40.455%0.55221%0.205SC*.Hα-helixtrans-62.8-44.4176.7-176.10000111.9D94 H95 Q96 N100 T101 F102D94-S98 PolarHBondContact O-N 2.75Å; H95-S98 WeakPolarHBondContact O-CB 3.34Å; H95-S98 PolarHBondContact O-N 3.03Å; Q96-S98 VanDerWaalsContact C-N 3.33Å; Q96-S98 PolarHBondContact O-N 2.89Å; S98-N100 VanDerWaalsContact C-N 3.33Å; S98-N100 PolarHBondContact O-N 3.42Å; S98-T101 PolarHBondContact O-N 3.09Å; S98-F102 PolarHBondContact O-N 2.81Å; S98-F102 VanDerWaalsContact O-N 3.07Å
99L95.2Very high96.9Very high5 Ų544.2 Ų44.23%0.02622%0.219CC..Hα-helixtrans-60.1-43.2173.5-68.4172.3000111.5L15 A19 H95 Q96 T101 F102 I103L15-L99 HydrophobicContact CB-CD2 4Å; A19-L99 HydrophobicContact CB-CD1 3.8Å; H95-L99 WeakPolarHBondContact O-CG 3.47Å; H95-L99 PolarHBondContact O-N 2.66Å; Q96-L99 PolarHBondContact O-N 3.24Å; L99-T101 PolarHBondContact O-N 2.98Å; L99-F102 WeakPolarHBondContact O-CB 3.26Å; L99-F102 PolarHBondContact O-N 3.37Å; L99-I103 WeakPolarHBondContact O-CG1 3.34Å; L99-I103 PolarHBondContact O-N 3.42Å
100N97Very high96.9Very high16 Ų1644.2 Ų44.29%0.08622%0.219CC..Hα-helixtrans-60.9-45.2177.2-164.953.2000112.3Q96 K97 S98 F102 I103 L104 S130 I134Q96-N100 WeakPolarHBondContact O-CB 3.22Å; Q96-N100 PolarHBondContact O-N 2.69Å; K97-N100 WeakPolarHBondContact O-CB 3.19Å; K97-N100 PolarHBondContact O-N 3.29Å; S98-N100 VanDerWaalsContact C-N 3.33Å; S98-N100 PolarHBondContact O-N 3.42Å; N100-F102 VanDerWaalsContact C-N 3.26Å; N100-F102 PolarHBondContact O-N 2.87Å; N100-I103 PolarHBondContact O-N 2.72Å; N100-L104 WeakPolarHBondContact O-CG 3.45Å; N100-L104 PolarHBondContact O-N 2.96Å; N100-S130 VanDerWaalsContact CB-OG 3.22Å; N100-S130 WeakPolarHBondContact CB-OG 3.41Å; N100-S130 WeakPolarHBondContact OD1-CB 3.36Å; N100-S130 PolarHBondContact OD1-OG 3.5Å; N100-I134 HydrophobicContact CB-CD1 3.97Å
101T97.9Very high97Very high78 Ų7846.8 Ų46.848%0.47923%0.231SC..Hα-helixtrans-57.5-42.7175-61.70000111K97 S98 L99 L104 D105K97-T101 PolarHBondContact O-N 3.19Å; K97-T101 PolarHBondContact O-OG1 2.73Å; S98-T101 PolarHBondContact O-N 3.09Å; L99-T101 PolarHBondContact O-N 2.98Å; T101-L104 PolarHBondContact O-N 3.47Å; T101-D105 VanDerWaalsContact O-CG 3.27Å; T101-D105 PolarHBondContact O-N 2.93Å
102F97.2Very high97.1Very high45 Ų4548 Ų4820%0.19725%0.252CS..Hα-helixtrans-62.5-44.6176.5-166.4-85.2000111.9K11 L12 L15 S98 L99 N100 L104 D105 V106K11-F102 HydrophobicContact CB-CE1 4.31Å; K11-F102 HydrophobicContact CB-CZ 3.68Å; K11-F102 HydrophobicContact CD-CZ 4.28Å; L12-F102 HydrophobicContact CB-CD1 4.29Å; L12-F102 HydrophobicContact CB-CE1 3.89Å; L12-F102 HydrophobicContact CD1-CD1 3.85Å; L12-F102 HydrophobicContact CD1-CE1 4.33Å; L15-F102 HydrophobicContact CD1-CB 4.24Å; L15-F102 HydrophobicContact CD1-CD1 3.68Å; L15-F102 HydrophobicContact CD1-CD2 3.62Å; L15-F102 HydrophobicContact CD1-CE1 3.86Å; L15-F102 HydrophobicContact CD1-CE2 3.8Å; L15-F102 HydrophobicContact CD1-CG 3.54Å; L15-F102 HydrophobicContact CD1-CZ 3.92Å; S98-F102 PolarHBondContact O-N 2.81Å; S98-F102 VanDerWaalsContact O-N 3.07Å; L99-F102 WeakPolarHBondContact O-CB 3.26Å; L99-F102 PolarHBondContact O-N 3.37Å; N100-F102 VanDerWaalsContact C-N 3.26Å; N100-F102 PolarHBondContact O-N 2.87Å; F102-L104 VanDerWaalsContact C-N 3.34Å; F102-L104 PolarHBondContact O-N 2.97Å; F102-D105 WeakPolarHBondContact O-CB 3.47Å; F102-D105 PolarHBondContact O-N 3.41Å; F102-D105 VanDerWaalsContact O-N 3.14Å; F102-V106 HydrophobicContact CD1-CG2 3.8Å; F102-V106 HydrophobicContact CE1-CG2 3.52Å; F102-V106 HydrophobicContact CZ-CG2 4.34Å; F102-V106 WeakPolarHBondContact O-CG2 3.35Å; F102-V106 PolarHBondContact O-N 3.39Å
103I97.7Very high97.1Very high0 Ų050.7 Ų50.70%027%0.267CS..Hα-helixtrans-59.9-44.6177-65159.9000110.8L12 L99 N100 D105 V106 H107 L122 F126 L127L12-I103 HydrophobicContact CD1-CG1 3.89Å; L12-I103 HydrophobicContact CD2-CG1 4.24Å; L99-I103 WeakPolarHBondContact O-CG1 3.34Å; L99-I103 PolarHBondContact O-N 3.42Å; N100-I103 PolarHBondContact O-N 2.72Å; I103-D105 VanDerWaalsContact C-N 3.27Å; I103-D105 PolarHBondContact O-N 3.02Å; I103-V106 PolarHBondContact O-N 2.76Å; I103-H107 WeakPolarHBondContact O-CB 3.45Å; I103-H107 PolarHBondContact O-N 3.18Å; I103-L122 HydrophobicContact CG2-CB 4.43Å; I103-L122 HydrophobicContact CG2-CD2 4.38Å; I103-F126 HydrophobicContact CD1-CB 4.13Å; I103-F126 HydrophobicContact CG2-CB 4.31Å; I103-L127 HydrophobicContact CB-CD2 4.3Å; I103-L127 HydrophobicContact CG2-CD2 3.56Å; I103-L127 HydrophobicContact CG2-CG 4.14Å
104L98.1Very high97.1Very high63 Ų6358.4 Ų58.433%0.3330%0.3SS..Hα-helixtrans-62.3-34.5176.3-69.2172000112.3N100 T101 F102 H107 R108 L127N100-L104 WeakPolarHBondContact O-CG 3.45Å; N100-L104 PolarHBondContact O-N 2.96Å; T101-L104 PolarHBondContact O-N 3.47Å; F102-L104 VanDerWaalsContact C-N 3.34Å; F102-L104 PolarHBondContact O-N 2.97Å; L104-H107 PolarHBondContact O-N 3.44Å; L104-R108 WeakPolarHBondContact O-CB 3.44Å; L104-R108 PolarHBondContact O-N 3.41Å; L104-L127 HydrophobicContact CD2-CD1 4.24Å; L104-L127 HydrophobicContact CD2-CD2 3.85Å; L104-L127 HydrophobicContact CG-CD2 4.27Å
105D97.8Very high97.2Very high47 Ų4754.5 Ų54.525%0.25128%0.279SS..Hα-helixtrans-70.4-39.6175.7-74-15.6000112.3T101 F102 I103 R108 R109T101-D105 VanDerWaalsContact O-CG 3.27Å; T101-D105 PolarHBondContact O-N 2.93Å; F102-D105 WeakPolarHBondContact O-CB 3.47Å; F102-D105 PolarHBondContact O-N 3.41Å; F102-D105 VanDerWaalsContact O-N 3.14Å; I103-D105 VanDerWaalsContact C-N 3.27Å; I103-D105 PolarHBondContact O-N 3.02Å; D105-R108 IonicContact OD1-CZ 3.19Å; D105-R108 IonicContact OD1-NH1 2.89Å; D105-R108 PolarHBondContact OD1-NH1 2.97Å; D105-R108 IonicContact OD1-NH2 2.73Å; D105-R109 WeakPolarHBondContact O-CG 3.47Å; D105-R109 PolarHBondContact O-N 3.44Å; D105-R109 VanDerWaalsContact O-N 3.09Å; D105-R109 PolarHBondContact O-NH1 3.27Å
106V97.8Very high97.4Very high0 Ų057.6 Ų57.60%030%0.302CS..Hα-helixtrans-63.9-43.8172.2-177.40000110.4D8 F102 I103 R109 A110 L118 L122D8-V106 HydrophobicContact CB-CG1 4.01Å; D8-V106 HydrophobicContact CB-CG2 3.88Å; F102-V106 HydrophobicContact CD1-CG2 3.8Å; F102-V106 HydrophobicContact CE1-CG2 3.52Å; F102-V106 HydrophobicContact CZ-CG2 4.34Å; F102-V106 WeakPolarHBondContact O-CG2 3.35Å; F102-V106 PolarHBondContact O-N 3.39Å; I103-V106 PolarHBondContact O-N 2.76Å; V106-R109 PolarHBondContact O-N 2.9Å; V106-A110 WeakPolarHBondContact O-CB 3.45Å; V106-A110 PolarHBondContact O-N 3.35Å; V106-L118 HydrophobicContact CG1-CD2 4.26Å; V106-L122 HydrophobicContact CB-CD1 4.14Å; V106-L122 HydrophobicContact CG1-CD1 3.87Å
107H98.2Very high97.5Very high40 Ų4062.2 Ų62.219%0.18532%0.324CS..Hα-helixtrans-58.6-48.8176.5179.5-76.6000111.6I103 L104 R109 A110 D111 L122 E123I103-H107 WeakPolarHBondContact O-CB 3.45Å; I103-H107 PolarHBondContact O-N 3.18Å; L104-H107 PolarHBondContact O-N 3.44Å; H107-R109 VanDerWaalsContact C-N 3.29Å; H107-R109 PolarHBondContact O-N 3.01Å; H107-A110 WeakPolarHBondContact O-CB 3.47Å; H107-A110 PolarHBondContact O-N 2.88Å; H107-A110 VanDerWaalsContact O-N 3.1Å; H107-D111 PolarHBondContact O-N 3.16Å; H107-L122 HydrophobicContact CB-CD1 4.02Å; H107-E123 IonicContact CD2-OE1 2.66Å; H107-E123 IonicContact CE1-OE1 3.73Å; H107-E123 IonicContact NE2-OE1 3.69Å; H107-E123 PolarHBondContact NE2-OE1 3.38Å
108R98Very high97.5Very high151 Ų15157.9 Ų57.957%0.5731%0.305SS*.Hα-helixtrans-59.4-38.9176.8-166.3-175.6-53.5106.87.4112.5L104 D105 G112L104-R108 WeakPolarHBondContact O-CB 3.44Å; L104-R108 PolarHBondContact O-N 3.41Å; D105-R108 IonicContact OD1-CZ 3.19Å; D105-R108 IonicContact OD1-NH1 2.89Å; D105-R108 PolarHBondContact OD1-NH1 2.97Å; D105-R108 IonicContact OD1-NH2 2.73Å; R108-G112 PolarHBondContact O-N 2.93Å
109R97.4Very high97.6Very high80 Ų8054.6 Ų54.630%0.30228%0.281SS..Hα-helixtrans-70.6-37.4175.8-74.7-168.7-66.7-84.74.7112.2D8 D105 V106 H107 G112 N113D8-R109 VanDerWaalsContact CG-NE 3.34Å; D8-R109 IonicContact OD1-CZ 2.69Å; D8-R109 IonicContact OD1-NE 3.64Å; D8-R109 PolarHBondContact OD1-NE 3Å; D8-R109 IonicContact OD1-NH2 3.51Å; D8-R109 PolarHBondContact OD1-NH2 3.49Å; D8-R109 IonicContact OD2-CZ 2.67Å; D8-R109 IonicContact OD2-NE 3.9Å; D8-R109 PolarHBondContact OD2-NE 3.43Å; D8-R109 IonicContact OD2-NH2 3.33Å; D8-R109 PolarHBondContact OD2-NH2 3.48Å; D105-R109 WeakPolarHBondContact O-CG 3.47Å; D105-R109 PolarHBondContact O-N 3.44Å; D105-R109 VanDerWaalsContact O-N 3.09Å; D105-R109 PolarHBondContact O-NH1 3.27Å; V106-R109 PolarHBondContact O-N 2.9Å; H107-R109 VanDerWaalsContact C-N 3.29Å; H107-R109 PolarHBondContact O-N 3.01Å; R109-G112 PolarHBondContact O-N 3.11Å; R109-N113 WeakPolarHBondContact O-CB 3.49Å; R109-N113 PolarHBondContact O-N 2.98Å; R109-N113 PolarHBondContact O-ND2 3.12Å
110A97.6Very high97.8Very high0 Ų056.8 Ų56.80%029%0.293CS..Hα-helixtrans-60.9-45.4173.700000111.4T5 V106 H107 N113 K114 D115 L118T5-A110 HydrophobicContact CG2-CB 4.45Å; V106-A110 WeakPolarHBondContact O-CB 3.45Å; V106-A110 PolarHBondContact O-N 3.35Å; H107-A110 WeakPolarHBondContact O-CB 3.47Å; H107-A110 PolarHBondContact O-N 2.88Å; H107-A110 VanDerWaalsContact O-N 3.1Å; A110-N113 CarbonylContact O-C 3.41Å; A110-N113 PolarHBondContact O-N 3.47Å; A110-K114 PolarHBondContact O-N 3.45Å; A110-K114 VanDerWaalsContact O-N 3.08Å; A110-D115 HydrophobicContact CB-CB 4.43Å; A110-D115 PolarHBondContact O-N 3.4Å; A110-L118 HydrophobicContact CB-CB 4.07Å; A110-L118 HydrophobicContact CB-CD2 3.68Å; A110-L118 HydrophobicContact CB-CG 3.93Å
111D97.8Very high97.8Very high107 Ų10757.9 Ų57.957%0.57230%0.297SS*.Hα-helixtrans-63.3-45.5176.7-17455.4000111.9H107 N113 K114H107-D111 PolarHBondContact O-N 3.16Å; D111-N113 PolarHBondContact O-N 2.72Å; D111-K114 WeakPolarHBondContact O-CA 3.23Å; D111-K114 PolarHBondContact O-N 3.27Å
112G97.5Very high97.8Very high58 Ų5854.1 Ų54.160%0.59827%0.274SS*.Hα-helixtrans-57.9-35.8173.700000113.4R108 R109 K114R108-G112 PolarHBondContact O-N 2.93Å; R109-G112 PolarHBondContact O-N 3.11Å; G112-K114 VanDerWaalsContact C-N 3.26Å; G112-K114 PolarHBondContact O-N 2.88Å
113N97.1Very high97.8Very high58 Ų5856.1 Ų56.131%0.3128%0.283SS..THydrogen-bonded Turntrans-84.76.1174.8-70.3-30.1000113.7H2 T5 R109 A110 D111 D115H2-N113 HydrophobicContact CB-CB 4.04Å; H2-N113 PolarHBondContact ND1-ND2 3.1Å; T5-N113 PolarHBondContact OG1-ND2 3.24Å; T5-N113 VanDerWaalsContact OG1-ND2 3.12Å; R109-N113 WeakPolarHBondContact O-CB 3.49Å; R109-N113 PolarHBondContact O-N 2.98Å; R109-N113 PolarHBondContact O-ND2 3.12Å; A110-N113 CarbonylContact O-C 3.41Å; A110-N113 PolarHBondContact O-N 3.47Å; D111-N113 PolarHBondContact O-N 2.72Å; N113-D115 VanDerWaalsContact C-N 3.34Å; N113-D115 PolarHBondContact O-N 2.79Å
114K97.4Very high97.8Very high181 Ų18163.6 Ų63.679%0.78731%0.312SS*.THydrogen-bonded Turntrans5545.5-179.7-54.2179.6-177.8179.70112.6A110 D111 G112 P116A110-K114 PolarHBondContact O-N 3.45Å; A110-K114 VanDerWaalsContact O-N 3.08Å; D111-K114 WeakPolarHBondContact O-CA 3.23Å; D111-K114 PolarHBondContact O-N 3.27Å; G112-K114 VanDerWaalsContact C-N 3.26Å; G112-K114 PolarHBondContact O-N 2.88Å; K114-P116 VanDerWaalsContact C-CD 3.4Å; K114-P116 WeakPolarHBondContact O-CD 3.48Å
115D98Very high97.6Very high11 Ų1164 Ų646%0.05931%0.312CS..  trans-105.176.8178.1-160.8-36000111.4R65 A110 N113 H117 L118 C119R65-D115 IonicContact CZ-OD1 3.45Å; R65-D115 IonicContact CZ-OD2 3.49Å; R65-D115 IonicContact NH1-OD1 2.86Å; R65-D115 PolarHBondContact NH1-OD1 3.48Å; R65-D115 IonicContact NH1-OD2 2.82Å; R65-D115 PolarHBondContact NH1-OD2 3.37Å; R65-D115 VanDerWaalsContact NH2-CG 3.25Å; R65-D115 IonicContact NH2-OD1 2.72Å; R65-D115 PolarHBondContact NH2-OD1 3.04Å; R65-D115 IonicContact NH2-OD2 3.11Å; R65-D115 PolarHBondContact NH2-OD2 3.31Å; A110-D115 HydrophobicContact CB-CB 4.43Å; A110-D115 PolarHBondContact O-N 3.4Å; N113-D115 VanDerWaalsContact C-N 3.34Å; N113-D115 PolarHBondContact O-N 2.79Å; D115-H117 PolarHBondContact O-N 3.06Å; D115-L118 HydrophobicContact CB-CB 4.39Å; D115-L118 PolarHBondContact O-N 3.39Å; D115-L118 VanDerWaalsContact O-N 3.14Å; D115-L118 PolarHBondContact OD1-N 3.01Å; D115-L118 VanDerWaalsContact OD1-N 3.13Å; D115-C119 PolarHBondContact O-N 3.38Å; D115-C119 PolarHBondContact O-SG 2.91Å
116P97.8Very high97.5Very high99 Ų9961.8 Ų61.864%0.64330%0.3SS*.Hα-helixtrans-63.9-27-175.426.7-36.2000112.7K114 C119 D120K114-P116 VanDerWaalsContact C-CD 3.4Å; K114-P116 WeakPolarHBondContact O-CD 3.48Å; P116-C119 PolarHBondContact O-N 2.83Å; P116-D120 WeakPolarHBondContact O-CB 3.25Å; P116-D120 PolarHBondContact O-N 3.02Å
117H98.1Very high97.5Very high97 Ų9762.7 Ų62.745%0.44931%0.305SS..Hα-helixtrans-70.7-32.1178.8-173.3-90.8000112Y61 D115 Y121Y61-H117 AromaticContact CE2-CE1 3.54Å; Y61-H117 AromaticContact CE2-ND1 3.59Å; Y61-H117 AromaticContact CZ-ND1 3.61Å; Y61-H117 VanDerWaalsContact OH-C 3.29Å; Y61-H117 PolarHBondContact OH-ND1 2.92Å; Y61-H117 PolarHBondContact OH-O 2.71Å; Y61-H117 VanDerWaalsContact OH-O 3.09Å; D115-H117 PolarHBondContact O-N 3.06Å; H117-Y121 WeakPolarHBondContact O-CB 3.25Å; H117-Y121 PolarHBondContact O-N 3.36Å
118L97.8Very high97.3Very high0 Ų065.6 Ų65.60%032%0.321CS..Hα-helixtrans-76.8-38.9172.2179.462.6000112T5 V9 Y61 V106 A110 D115 Y121 L122T5-L118 HydrophobicContact CG2-CD2 2.95Å; T5-L118 HydrophobicContact CG2-CG 4.41Å; V9-L118 HydrophobicContact CG2-CD1 4.38Å; V9-L118 HydrophobicContact CG2-CD2 4.38Å; Y61-L118 HydrophobicContact CD1-CD1 4.33Å; Y61-L118 HydrophobicContact CE1-CD1 3.56Å; Y61-L118 WeakPolarHBondContact OH-CA 3.42Å; Y61-L118 WeakPolarHBondContact OH-CB 3.43Å; Y61-L118 PolarHBondContact OH-N 2.95Å; V106-L118 HydrophobicContact CG1-CD2 4.26Å; A110-L118 HydrophobicContact CB-CB 4.07Å; A110-L118 HydrophobicContact CB-CD2 3.68Å; A110-L118 HydrophobicContact CB-CG 3.93Å; D115-L118 HydrophobicContact CB-CB 4.39Å; D115-L118 PolarHBondContact O-N 3.39Å; D115-L118 VanDerWaalsContact O-N 3.14Å; D115-L118 PolarHBondContact OD1-N 3.01Å; D115-L118 VanDerWaalsContact OD1-N 3.13Å; L118-Y121 HydrophobicContact CD1-CD1 4.28Å; L118-Y121 PolarHBondContact O-N 2.67Å; L118-L122 HydrophobicContact CD1-CD1 3.99Å; L118-L122 HydrophobicContact CD1-CD2 4.18Å; L118-L122 HydrophobicContact CD1-CG 3.77Å; L118-L122 HydrophobicContact CG-CD1 3.95Å; L118-L122 HydrophobicContact CG-CG 4.17Å; L118-L122 WeakPolarHBondContact O-CG 3.25Å; L118-L122 PolarHBondContact O-N 2.98Å
119C98.4Very high97.1Very high10 Ų1060.2 Ų60.27%0.06830%0.303CS..Hα-helixtrans-56.2-54.1174.4-62.40000111.2D115 P116 Y121 L122 E123D115-C119 PolarHBondContact O-N 3.38Å; D115-C119 PolarHBondContact O-SG 2.91Å; P116-C119 PolarHBondContact O-N 2.83Å; C119-Y121 VanDerWaalsContact C-N 3.31Å; C119-Y121 PolarHBondContact O-N 3.38Å; C119-L122 PolarHBondContact O-N 2.74Å; C119-E123 WeakPolarHBondContact O-CB 3.49Å; C119-E123 VanDerWaalsContact O-CG 3.26Å; C119-E123 WeakPolarHBondContact O-CG 3.38Å; C119-E123 PolarHBondContact O-N 3.49Å
120D98.4Very high97Very high52 Ų5256.5 Ų56.528%0.27829%0.289SS..Hα-helixtrans-59.2-40.8179.1-178.272.1000112.2P116 E123 R124P116-D120 WeakPolarHBondContact O-CB 3.25Å; P116-D120 PolarHBondContact O-N 3.02Å; D120-E123 PolarHBondContact O-N 2.76Å; D120-R124 WeakPolarHBondContact O-CB 3.29Å; D120-R124 WeakPolarHBondContact O-CG 3.43Å; D120-R124 PolarHBondContact O-N 3.27Å; D120-R124 IonicContact OD1-CZ 3.42Å; D120-R124 IonicContact OD1-NE 2.71Å; D120-R124 PolarHBondContact OD1-NE 2.91Å; D120-R124 VanDerWaalsContact OD1-NE 3.09Å; D120-R124 IonicContact OD1-NH1 2.94Å; D120-R124 IonicContact OD1-NH2 2.76Å; D120-R124 PolarHBondContact OD1-NH2 3.48Å; D120-R124 IonicContact OD2-CZ 3.61Å; D120-R124 IonicContact OD2-NE 2.83Å; D120-R124 PolarHBondContact OD2-NE 3.35Å; D120-R124 IonicContact OD2-NH1 3.2Å; D120-R124 PolarHBondContact OD2-NH1 3.49Å; D120-R124 IonicContact OD2-NH2 3.33Å; D120-R124 PolarHBondContact OD2-NH2 2.74Å
121Y98.1Very high96.9Very high38 Ų3861.1 Ų61.115%0.14931%0.311CS..Hα-helixtrans-64.2-46.5178179.8-105.2000112.6K57 L58 Y61 H117 L118 C119 E123 R124 E125 F126K57-Y121 VanDerWaalsContact C-OH 3.25Å; K57-Y121 WeakPolarHBondContact CB-OH 3.22Å; K57-Y121 PolarHBondContact O-OH 3.5Å; L58-Y121 HydrophobicContact CD2-CE1 4.17Å; Y61-Y121 HydrophobicContact CD1-CD1 4.17Å; Y61-Y121 HydrophobicContact CD1-CE1 4.14Å; Y61-Y121 AromaticContact CD2-CD1 3.4Å; Y61-Y121 HydrophobicContact CD2-CD1 3.4Å; Y61-Y121 VanDerWaalsContact CD2-CD1 3.4Å; Y61-Y121 AromaticContact CD2-CD2 3.5Å; Y61-Y121 HydrophobicContact CD2-CD2 3.5Å; Y61-Y121 VanDerWaalsContact CD2-CD2 3.5Å; Y61-Y121 AromaticContact CD2-CE1 3.43Å; Y61-Y121 HydrophobicContact CD2-CE1 3.43Å; Y61-Y121 VanDerWaalsContact CD2-CE1 3.43Å; Y61-Y121 AromaticContact CD2-CE2 3.54Å; Y61-Y121 HydrophobicContact CD2-CE2 3.54Å; Y61-Y121 AromaticContact CD2-CG 3.43Å; Y61-Y121 HydrophobicContact CD2-CG 3.43Å; Y61-Y121 VanDerWaalsContact CD2-CG 3.43Å; Y61-Y121 AromaticContact CD2-CZ 3.51Å; Y61-Y121 HydrophobicContact CE1-CD1 4.28Å; Y61-Y121 AromaticContact CE2-CD1 3.48Å; Y61-Y121 HydrophobicContact CE2-CD1 3.48Å; Y61-Y121 VanDerWaalsContact CE2-CD1 3.48Å; Y61-Y121 AromaticContact CE2-CD2 3.62Å; Y61-Y121 HydrophobicContact CE2-CD2 3.62Å; Y61-Y121 HydrophobicContact CE2-CE1 4.03Å; Y61-Y121 HydrophobicContact CE2-CE2 4.17Å; Y61-Y121 AromaticContact CE2-CG 3.24Å; Y61-Y121 HydrophobicContact CE2-CG 3.24Å; Y61-Y121 AromaticContact CG-CD1 3.74Å; Y61-Y121 HydrophobicContact CG-CD1 3.74Å; Y61-Y121 HydrophobicContact CG-CD2 4.49Å; Y61-Y121 AromaticContact CG-CE1 3.47Å; Y61-Y121 HydrophobicContact CG-CE1 3.47Å; Y61-Y121 VanDerWaalsContact CG-CE1 3.47Å; Y61-Y121 HydrophobicContact CG-CE2 4.27Å; Y61-Y121 HydrophobicContact CG-CG 4.24Å; Y61-Y121 AromaticContact CG-CZ 3.77Å; Y61-Y121 AromaticContact CZ-CD1 3.92Å; Y61-Y121 AromaticContact CZ-CG 3.98Å; H117-Y121 WeakPolarHBondContact O-CB 3.25Å; H117-Y121 PolarHBondContact O-N 3.36Å; L118-Y121 HydrophobicContact CD1-CD1 4.28Å; L118-Y121 PolarHBondContact O-N 2.67Å; C119-Y121 VanDerWaalsContact C-N 3.31Å; C119-Y121 PolarHBondContact O-N 3.38Å; Y121-E123 VanDerWaalsContact C-N 3.33Å; Y121-E123 PolarHBondContact O-N 3.24Å; Y121-R124 PolarHBondContact O-N 3.13Å; Y121-E125 HydrophobicContact CD2-CG 3.95Å; Y121-E125 HydrophobicContact CE2-CB 4.41Å; Y121-E125 HydrophobicContact CE2-CG 3.71Å; Y121-E125 WeakPolarHBondContact O-CB 3.33Å; Y121-E125 PolarHBondContact O-N 2.98Å; Y121-F126 HydrophobicContact CD1-CE2 4.09Å; Y121-F126 HydrophobicContact CE1-CD2 4.4Å; Y121-F126 AromaticContact CE1-CE2 3.45Å; Y121-F126 HydrophobicContact CE1-CE2 3.45Å; Y121-F126 VanDerWaalsContact CE1-CE2 3.45Å; Y121-F126 HydrophobicContact CE1-CZ 4.15Å; Y121-F126 AromaticContact CZ-CE2 3.8Å
122L97.9Very high96.8Very high0 Ų061 Ų610%031%0.31CS..Hα-helixtrans-64.4-39.2177.4-68.2175.7000111.8L12 I103 V106 H107 L118 C119 F126 L127L12-L122 HydrophobicContact CD2-CD2 4.28Å; I103-L122 HydrophobicContact CG2-CB 4.43Å; I103-L122 HydrophobicContact CG2-CD2 4.38Å; V106-L122 HydrophobicContact CB-CD1 4.14Å; V106-L122 HydrophobicContact CG1-CD1 3.87Å; H107-L122 HydrophobicContact CB-CD1 4.02Å; L118-L122 HydrophobicContact CD1-CD1 3.99Å; L118-L122 HydrophobicContact CD1-CD2 4.18Å; L118-L122 HydrophobicContact CD1-CG 3.77Å; L118-L122 HydrophobicContact CG-CD1 3.95Å; L118-L122 HydrophobicContact CG-CG 4.17Å; L118-L122 WeakPolarHBondContact O-CG 3.25Å; L118-L122 PolarHBondContact O-N 2.98Å; C119-L122 PolarHBondContact O-N 2.74Å; L122-F126 HydrophobicContact CD2-CD2 4.08Å; L122-F126 WeakPolarHBondContact O-CB 3.49Å; L122-F126 PolarHBondContact O-N 2.89Å; L122-F126 VanDerWaalsContact O-N 3.13Å; L122-L127 PolarHBondContact O-N 2.96Å
123E97.8Very high96.8Very high86 Ų8658.7 Ų58.740%0.40229%0.285SS..Iπ-helixtrans-61.6-49.2177.5-74.4167.4-155.600112.2H107 C119 D120 Y121 L127H107-E123 IonicContact CD2-OE1 2.66Å; H107-E123 IonicContact CE1-OE1 3.73Å; H107-E123 IonicContact NE2-OE1 3.69Å; H107-E123 PolarHBondContact NE2-OE1 3.38Å; C119-E123 WeakPolarHBondContact O-CB 3.49Å; C119-E123 VanDerWaalsContact O-CG 3.26Å; C119-E123 WeakPolarHBondContact O-CG 3.38Å; C119-E123 PolarHBondContact O-N 3.49Å; D120-E123 PolarHBondContact O-N 2.76Å; Y121-E123 VanDerWaalsContact C-N 3.33Å; Y121-E123 PolarHBondContact O-N 3.24Å; E123-L127 HydrophobicContact CG-CD1 3.99Å
124R96.2Very high96.9Very high158 Ų15857.6 Ų57.660%0.59628%0.278SS*.Iπ-helixtrans-73.6-45.7-175.9-70.5179.7-179.7161.411.7113.3D120 Y121D120-R124 WeakPolarHBondContact O-CB 3.29Å; D120-R124 WeakPolarHBondContact O-CG 3.43Å; D120-R124 PolarHBondContact O-N 3.27Å; D120-R124 IonicContact OD1-CZ 3.42Å; D120-R124 IonicContact OD1-NE 2.71Å; D120-R124 PolarHBondContact OD1-NE 2.91Å; D120-R124 VanDerWaalsContact OD1-NE 3.09Å; D120-R124 IonicContact OD1-NH1 2.94Å; D120-R124 IonicContact OD1-NH2 2.76Å; D120-R124 PolarHBondContact OD1-NH2 3.48Å; D120-R124 IonicContact OD2-CZ 3.61Å; D120-R124 IonicContact OD2-NE 2.83Å; D120-R124 PolarHBondContact OD2-NE 3.35Å; D120-R124 IonicContact OD2-NH1 3.2Å; D120-R124 PolarHBondContact OD2-NH1 3.49Å; D120-R124 IonicContact OD2-NH2 3.33Å; D120-R124 PolarHBondContact OD2-NH2 2.74Å; Y121-R124 PolarHBondContact O-N 3.13Å
125E95.3Very high96.9Very high72 Ų7254.8 Ų54.834%0.33627%0.266SS..Iπ-helixtrans-92.5-22.8-168.1-64.9-65.9147.600113.3K57 Y121K57-E125 IonicContact NZ-OE2 3.39Å; K57-E125 PolarHBondContact NZ-OE2 2.92Å; Y121-E125 HydrophobicContact CD2-CG 3.95Å; Y121-E125 HydrophobicContact CE2-CB 4.41Å; Y121-E125 HydrophobicContact CE2-CG 3.71Å; Y121-E125 WeakPolarHBondContact O-CB 3.33Å; Y121-E125 PolarHBondContact O-N 2.98Å
126F96.1Very high96.9Very high0 Ų058.6 Ų58.60%028%0.282CS..Iπ-helixtrans-126.4-43.8-169.7-59.6-93.7000114.2Q54 K57 L58 I103 Y121 L122 I128 S130Q54-F126 HydrophobicContact CB-CD1 4.44Å; Q54-F126 HydrophobicContact CB-CE1 3.85Å; Q54-F126 HydrophobicContact CG-CD1 4.33Å; Q54-F126 HydrophobicContact CG-CE1 4.06Å; K57-F126 HydrophobicContact CB-CZ 4.35Å; L58-F126 HydrophobicContact CD1-CE1 3.91Å; L58-F126 HydrophobicContact CD1-CZ 4.14Å; L58-F126 HydrophobicContact CD2-CE1 4.15Å; L58-F126 HydrophobicContact CD2-CE2 4.03Å; L58-F126 HydrophobicContact CD2-CZ 3.62Å; L58-F126 HydrophobicContact CG-CE1 3.82Å; L58-F126 HydrophobicContact CG-CE2 4.41Å; L58-F126 HydrophobicContact CG-CZ 3.52Å; I103-F126 HydrophobicContact CD1-CB 4.13Å; I103-F126 HydrophobicContact CG2-CB 4.31Å; Y121-F126 HydrophobicContact CD1-CE2 4.09Å; Y121-F126 HydrophobicContact CE1-CD2 4.4Å; Y121-F126 AromaticContact CE1-CE2 3.45Å; Y121-F126 HydrophobicContact CE1-CE2 3.45Å; Y121-F126 VanDerWaalsContact CE1-CE2 3.45Å; Y121-F126 HydrophobicContact CE1-CZ 4.15Å; Y121-F126 AromaticContact CZ-CE2 3.8Å; L122-F126 HydrophobicContact CD2-CD2 4.08Å; L122-F126 WeakPolarHBondContact O-CB 3.49Å; L122-F126 PolarHBondContact O-N 2.89Å; L122-F126 VanDerWaalsContact O-N 3.13Å; F126-I128 PolarHBondContact O-N 3.25Å; F126-S130 WeakPolarHBondContact O-CB 3.46Å; F126-S130 PolarHBondContact O-N 3.47Å
127L96Very high96.9Very high19 Ų1954.1 Ų54.110%0.09925%0.253CS..Iπ-helixtrans-67.7-36.6-175.6-70.1-177.2000112.3I103 L104 L122 E123 S130 H131I103-L127 HydrophobicContact CB-CD2 4.3Å; I103-L127 HydrophobicContact CG2-CD2 3.56Å; I103-L127 HydrophobicContact CG2-CG 4.14Å; L104-L127 HydrophobicContact CD2-CD1 4.24Å; L104-L127 HydrophobicContact CD2-CD2 3.85Å; L104-L127 HydrophobicContact CG-CD2 4.27Å; L122-L127 PolarHBondContact O-N 2.96Å; E123-L127 HydrophobicContact CG-CD1 3.99Å; L127-S130 PolarHBondContact O-N 3.37Å; L127-H131 VanDerWaalsContact O-CG 3.26Å; L127-H131 PolarHBondContact O-N 3.49Å; L127-H131 VanDerWaalsContact O-N 3.07Å; L127-H131 PolarHBondContact O-ND1 3.39Å
128I95.4Very high96.9Very high100 Ų10050.4 Ų50.451%0.51324%0.241SC..Hα-helixtrans-62.4-56176.8-63.3172.1000110.4F126 S130 H131 D132F126-I128 PolarHBondContact O-N 3.25Å; I128-S130 VanDerWaalsContact C-N 3.25Å; I128-S130 PolarHBondContact O-N 2.91Å; I128-H131 PolarHBondContact O-N 2.85Å; I128-D132 PolarHBondContact O-N 3.02Å
129D94.1Very high97Very high39 Ų3953.5 Ų53.521%0.20926%0.258CS..Hα-helixtrans-55.8-42178171.370.9000112R47 Q54 H131 D132 T133R47-D129 IonicContact NH1-OD1 3.94Å; R47-D129 IonicContact NH2-OD2 3.35Å; Q54-D129 VanDerWaalsContact NE2-CG 3.3Å; Q54-D129 PolarHBondContact NE2-OD2 3.26Å; D129-H131 PolarHBondContact O-N 3.4Å; D129-D132 PolarHBondContact O-N 3.49Å; D129-T133 VanDerWaalsContact O-CB 3.23Å; D129-T133 WeakPolarHBondContact O-CB 3.46Å; D129-T133 PolarHBondContact O-N 3.19Å; D129-T133 PolarHBondContact O-OG1 3.44Å; D129-T133 PolarHBondContact OD1-OG1 3.41Å
130S93.7Very high97Very high1 Ų154.5 Ų54.51%0.00726%0.26CS..Hα-helixtrans-62-46-179.8-174.60000112.2N100 F126 L127 I128 T133 I134N100-S130 VanDerWaalsContact CB-OG 3.22Å; N100-S130 WeakPolarHBondContact CB-OG 3.41Å; N100-S130 WeakPolarHBondContact OD1-CB 3.36Å; N100-S130 PolarHBondContact OD1-OG 3.5Å; F126-S130 WeakPolarHBondContact O-CB 3.46Å; F126-S130 PolarHBondContact O-N 3.47Å; L127-S130 PolarHBondContact O-N 3.37Å; I128-S130 VanDerWaalsContact C-N 3.25Å; I128-S130 PolarHBondContact O-N 2.91Å; S130-T133 PolarHBondContact O-N 3.07Å; S130-I134 WeakPolarHBondContact O-CB 3.23Å; S130-I134 WeakPolarHBondContact O-CD1 3.19Å; S130-I134 WeakPolarHBondContact O-CG1 3.46Å; S130-I134 PolarHBondContact O-N 2.94Å
131H95.3Very high96.9Very high97 Ų9753.3 Ų53.345%0.44925%0.253SS..Hα-helixtrans-66.1-43.1177.8-64.8133.4000112.3L127 I128 D129 T133 I134 K135L127-H131 VanDerWaalsContact O-CG 3.26Å; L127-H131 PolarHBondContact O-N 3.49Å; L127-H131 VanDerWaalsContact O-N 3.07Å; L127-H131 PolarHBondContact O-ND1 3.39Å; I128-H131 PolarHBondContact O-N 2.85Å; D129-H131 PolarHBondContact O-N 3.4Å; H131-T133 VanDerWaalsContact C-N 3.34Å; H131-T133 PolarHBondContact O-N 3.26Å; H131-I134 PolarHBondContact O-N 3.48Å; H131-K135 WeakPolarHBondContact O-CB 3.33Å; H131-K135 PolarHBondContact O-N 2.96Å
132D97.1Very high96.9Very high106 Ų10654.3 Ų54.357%0.56727%0.266SS*.Hα-helixtrans-63.4-42.3178.5-72.2-15.5000111.1I128 D129 K135 K136I128-D132 PolarHBondContact O-N 3.02Å; D129-D132 PolarHBondContact O-N 3.49Å; D132-K135 PolarHBondContact O-N 3.47Å; D132-K136 WeakPolarHBondContact O-CB 3.39Å; D132-K136 PolarHBondContact O-N 2.94Å
133T96.9Very high96.8Very high9 Ų957.1 Ų57.16%0.05528%0.281CS..Hα-helixtrans-64.2-47.2176.5-58.50000111.6R47 Q96 D129 S130 H131 K135 K136 L137R47-T133 PolarHBondContact NH1-OG1 3.4Å; R47-T133 PolarHBondContact NH2-OG1 3.22Å; Q96-T133 HydrophobicContact CG-CG2 3.88Å; D129-T133 VanDerWaalsContact O-CB 3.23Å; D129-T133 WeakPolarHBondContact O-CB 3.46Å; D129-T133 PolarHBondContact O-N 3.19Å; D129-T133 PolarHBondContact O-OG1 3.44Å; D129-T133 PolarHBondContact OD1-OG1 3.41Å; S130-T133 PolarHBondContact O-N 3.07Å; H131-T133 VanDerWaalsContact C-N 3.34Å; H131-T133 PolarHBondContact O-N 3.26Å; T133-K135 VanDerWaalsContact C-N 3.28Å; T133-K135 PolarHBondContact O-N 3.49Å; T133-K136 PolarHBondContact O-N 2.86Å; T133-L137 HydrophobicContact CG2-CD1 3.89Å; T133-L137 HydrophobicContact CG2-CG 4.35Å; T133-L137 WeakPolarHBondContact O-CB 3.39Å; T133-L137 WeakPolarHBondContact O-CG 2.95Å; T133-L137 PolarHBondContact O-N 2.88Å
134I98.3Very high96.6Very high35 Ų3553 Ų5318%0.17926%0.261CS..Hα-helixtrans-58.4-43.3177.6-73.6167.7000110.4L93 Q96 K97 N100 S130 H131 G138L93-I134 HydrophobicContact CD1-CB 4.35Å; L93-I134 HydrophobicContact CD1-CG2 3.88Å; L93-I134 WeakPolarHBondContact CD1-O 3.35Å; Q96-I134 HydrophobicContact CB-CG1 4.11Å; Q96-I134 HydrophobicContact CG-CD1 4.28Å; Q96-I134 HydrophobicContact CG-CG1 3.6Å; K97-I134 HydrophobicContact CG-CD1 4.13Å; K97-I134 HydrophobicContact CG-CG1 4.33Å; N100-I134 HydrophobicContact CB-CD1 3.97Å; S130-I134 WeakPolarHBondContact O-CB 3.23Å; S130-I134 WeakPolarHBondContact O-CD1 3.19Å; S130-I134 WeakPolarHBondContact O-CG1 3.46Å; S130-I134 PolarHBondContact O-N 2.94Å; H131-I134 PolarHBondContact O-N 3.48Å; I134-G138 PolarHBondContact O-N 2.9Å
135K98.4Very high96.5Very high121 Ų12148.3 Ų48.353%0.52625%0.25SC..Hα-helixtrans-64-48.8177.5-179.959.3170.173.40111.4H131 D132 T133 L137 G138 D139H131-K135 WeakPolarHBondContact O-CB 3.33Å; H131-K135 PolarHBondContact O-N 2.96Å; D132-K135 PolarHBondContact O-N 3.47Å; T133-K135 VanDerWaalsContact C-N 3.28Å; T133-K135 PolarHBondContact O-N 3.49Å; K135-L137 PolarHBondContact O-N 2.97Å; K135-G138 PolarHBondContact O-N 3.3Å; K135-D139 IonicContact NZ-OD1 2.65Å; K135-D139 PolarHBondContact NZ-OD1 3.38Å; K135-D139 IonicContact NZ-OD2 2.61Å; K135-D139 PolarHBondContact NZ-OD2 3.16Å; K135-D139 PolarHBondContact O-N 2.98Å
136K98.1Very high96.4Very high92 Ų9252.8 Ų52.840%0.426%0.264SS..Hα-helixtrans-57.7-47.3179.4-174.3176.8-179.1-178.90111.5D132 T133 G138 D139 Y140D132-K136 WeakPolarHBondContact O-CB 3.39Å; D132-K136 PolarHBondContact O-N 2.94Å; T133-K136 PolarHBondContact O-N 2.86Å; K136-G138 PolarHBondContact O-N 3.32Å; K136-D139 PolarHBondContact O-N 2.84Å; K136-Y140 HydrophobicContact CD-CE2 4.26Å; K136-Y140 VanDerWaalsContact CE-CZ 3.46Å; K136-Y140 WeakPolarHBondContact CE-OH 3.44Å; K136-Y140 HydrophobicContact CG-CD2 4.29Å; K136-Y140 HydrophobicContact CG-CE1 4.25Å; K136-Y140 HydrophobicContact CG-CE2 3.81Å; K136-Y140 WeakPolarHBondContact O-CB 3.34Å; K136-Y140 VanDerWaalsContact O-CG 3.24Å; K136-Y140 PolarHBondContact O-N 3.46Å
137L98.3Very high96.2Very high4 Ų455.4 Ų55.42%0.02128%0.278CS..Hα-helixtrans-63.5-41.3176.8-70.4171.7000112.1F43 L89 L93 Q96 T133 K135 D139 Y140 I141F43-L137 HydrophobicContact CE1-CD2 4.21Å; F43-L137 HydrophobicContact CZ-CD2 4Å; L89-L137 HydrophobicContact CD2-CD2 3.78Å; L93-L137 HydrophobicContact CB-CB 4.16Å; L93-L137 HydrophobicContact CB-CD1 4.47Å; L93-L137 HydrophobicContact CD1-CB 4.07Å; Q96-L137 HydrophobicContact CB-CD1 4.29Å; T133-L137 HydrophobicContact CG2-CD1 3.89Å; T133-L137 HydrophobicContact CG2-CG 4.35Å; T133-L137 WeakPolarHBondContact O-CB 3.39Å; T133-L137 WeakPolarHBondContact O-CG 2.95Å; T133-L137 PolarHBondContact O-N 2.88Å; K135-L137 PolarHBondContact O-N 2.97Å; L137-D139 VanDerWaalsContact C-N 3.34Å; L137-D139 PolarHBondContact O-N 3.07Å; L137-Y140 PolarHBondContact O-N 3.49Å; L137-I141 VanDerWaalsContact O-CG1 3.3Å; L137-I141 WeakPolarHBondContact O-CG1 3.2Å; L137-I141 PolarHBondContact O-N 2.98Å
138G98.4Very high95.9Very high20 Ų2056.9 Ų56.921%0.20629%0.289CS..Hα-helixtrans-62.3-39.2175.400000113.5I134 K135 K136 S142I134-G138 PolarHBondContact O-N 2.9Å; K135-G138 PolarHBondContact O-N 3.3Å; K136-G138 PolarHBondContact O-N 3.32Å; G138-S142 WeakPolarHBondContact O-CB 3.48Å; G138-S142 PolarHBondContact O-N 3.2Å; G138-S142 PolarHBondContact O-OG 3.38Å
139D98.4Very high95.5Very high65 Ų6556.6 Ų56.635%0.34830%0.296SS..Hα-helixtrans-65.3-45.6174.6-70-19.9000111.2K135 K136 L137 I141 S142 I143K135-D139 IonicContact NZ-OD1 2.65Å; K135-D139 PolarHBondContact NZ-OD1 3.38Å; K135-D139 IonicContact NZ-OD2 2.61Å; K135-D139 PolarHBondContact NZ-OD2 3.16Å; K135-D139 PolarHBondContact O-N 2.98Å; K136-D139 PolarHBondContact O-N 2.84Å; L137-D139 VanDerWaalsContact C-N 3.34Å; L137-D139 PolarHBondContact O-N 3.07Å; D139-I141 PolarHBondContact O-N 3.48Å; D139-S142 WeakPolarHBondContact O-CB 3.3Å; D139-S142 PolarHBondContact O-N 3.02Å; D139-S142 VanDerWaalsContact O-N 3.14Å; D139-I143 VanDerWaalsContact O-CG1 3.26Å; D139-I143 WeakPolarHBondContact O-CG1 3.41Å; D139-I143 PolarHBondContact O-N 3.4Å
140Y98.3Very high94.9Very high30 Ų3057.6 Ų57.612%0.11831%0.307CS..Hα-helixtrans-59.3-46.3177.9-73-5.9000112.4F43 L89 K136 L137 S142 I143 L144 F161 T165 L166F43-Y140 HydrophobicContact CD2-CE2 4.44Å; F43-Y140 AromaticContact CE2-CE2 3.87Å; F43-Y140 HydrophobicContact CE2-CE2 3.87Å; F43-Y140 HydrophobicContact CZ-CD2 4.38Å; F43-Y140 HydrophobicContact CZ-CE2 4.08Å; L89-Y140 HydrophobicContact CD2-CD2 4.12Å; K136-Y140 HydrophobicContact CD-CE2 4.26Å; K136-Y140 VanDerWaalsContact CE-CZ 3.46Å; K136-Y140 WeakPolarHBondContact CE-OH 3.44Å; K136-Y140 HydrophobicContact CG-CD2 4.29Å; K136-Y140 HydrophobicContact CG-CE1 4.25Å; K136-Y140 HydrophobicContact CG-CE2 3.81Å; K136-Y140 WeakPolarHBondContact O-CB 3.34Å; K136-Y140 VanDerWaalsContact O-CG 3.24Å; K136-Y140 PolarHBondContact O-N 3.46Å; L137-Y140 PolarHBondContact O-N 3.49Å; Y140-S142 VanDerWaalsContact C-N 3.31Å; Y140-S142 PolarHBondContact O-N 2.87Å; Y140-I143 PolarHBondContact O-N 3.34Å; Y140-L144 WeakPolarHBondContact O-CB 3.48Å; Y140-L144 PolarHBondContact O-N 2.96Å; Y140-F161 HydrophobicContact CD1-CE2 4.37Å; Y140-F161 AromaticContact CD1-CZ 3.8Å; Y140-F161 HydrophobicContact CD1-CZ 3.8Å; Y140-F161 HydrophobicContact CD2-CZ 4.21Å; Y140-F161 HydrophobicContact CE1-CZ 4.45Å; Y140-F161 AromaticContact CG-CZ 3.65Å; Y140-F161 HydrophobicContact CG-CZ 3.65Å; Y140-T165 HydrophobicContact CD1-CG2 3.99Å; Y140-T165 HydrophobicContact CE1-CG2 3.65Å; Y140-L166 HydrophobicContact CD2-CD2 4.05Å; Y140-L166 HydrophobicContact CE2-CD2 3.48Å; Y140-L166 VanDerWaalsContact CE2-CD2 3.48Å
141I97.8Very high94.1Very high27 Ų2766.2 Ų66.214%0.13835%0.347CS..Hα-helixtrans-58.5-45.5173.9-69165.1000110.5L86 L89 L93 L137 D139 I143 L144 T145L86-I141 HydrophobicContact CD1-CG2 4.03Å; L89-I141 HydrophobicContact CB-CD1 4.42Å; L89-I141 HydrophobicContact CB-CG1 3.73Å; L93-I141 HydrophobicContact CB-CD1 3.89Å; L93-I141 HydrophobicContact CD2-CD1 3.56Å; L93-I141 HydrophobicContact CG-CD1 4.36Å; L137-I141 VanDerWaalsContact O-CG1 3.3Å; L137-I141 WeakPolarHBondContact O-CG1 3.2Å; L137-I141 PolarHBondContact O-N 2.98Å; D139-I141 PolarHBondContact O-N 3.48Å; I141-I143 PolarHBondContact O-N 3.41Å; I141-L144 PolarHBondContact O-N 2.85Å; I141-T145 VanDerWaalsContact O-CB 3.23Å; I141-T145 WeakPolarHBondContact O-CB 3.27Å; I141-T145 PolarHBondContact O-N 3.4Å; I141-T145 PolarHBondContact O-OG1 3.28Å
142S97.2Very high92.9Very high60 Ų6066.6 Ų66.642%0.4236%0.358SS..Hα-helixtrans-65.1-40.8-178.5-61.30000112.5G138 D139 Y140 R146G138-S142 WeakPolarHBondContact O-CB 3.48Å; G138-S142 PolarHBondContact O-N 3.2Å; G138-S142 PolarHBondContact O-OG 3.38Å; D139-S142 WeakPolarHBondContact O-CB 3.3Å; D139-S142 PolarHBondContact O-N 3.02Å; D139-S142 VanDerWaalsContact O-N 3.14Å; Y140-S142 VanDerWaalsContact C-N 3.31Å; Y140-S142 PolarHBondContact O-N 2.87Å; S142-R146 WeakPolarHBondContact O-CB 3.43Å; S142-R146 PolarHBondContact O-N 3.49Å; S142-R146 PolarHBondContact O-NH2 3.03Å
143I95.3Very high91.5Very high59 Ų5966.5 Ų66.530%0.30335%0.354SS..Hα-helixtrans-66.1-51.7176.6-68.1162.5000109.7D139 Y140 I141 T145 R146 L147 F161D139-I143 VanDerWaalsContact O-CG1 3.26Å; D139-I143 WeakPolarHBondContact O-CG1 3.41Å; D139-I143 PolarHBondContact O-N 3.4Å; Y140-I143 PolarHBondContact O-N 3.34Å; I141-I143 PolarHBondContact O-N 3.41Å; I143-T145 VanDerWaalsContact C-N 3.35Å; I143-T145 PolarHBondContact O-N 2.87Å; I143-R146 WeakPolarHBondContact O-CB 3.29Å; I143-R146 PolarHBondContact O-N 3.45Å; I143-R146 VanDerWaalsContact O-N 3.13Å; I143-L147 HydrophobicContact CG2-CD1 3.99Å; I143-L147 HydrophobicContact CG2-CG 4.44Å; I143-L147 WeakPolarHBondContact O-CG 3.36Å; I143-L147 PolarHBondContact O-N 3.28Å; I143-F161 HydrophobicContact CB-CD2 4.5Å; I143-F161 HydrophobicContact CB-CE2 4.03Å; I143-F161 HydrophobicContact CG2-CD2 3.85Å; I143-F161 HydrophobicContact CG2-CE2 3.81Å
144L94.7Very high90.4Very high0 Ų067.3 Ų67.30%036%0.364CS..Hα-helixtrans-65.2-38.3-176.6-175.157.3000112.1F40 L86 L89 Y140 I141 R146 L147 S148 A157 E158 F161F40-L144 HydrophobicContact CZ-CD2 4.32Å; L86-L144 HydrophobicContact CB-CD2 3.88Å; L86-L144 HydrophobicContact CB-CG 4.42Å; L86-L144 HydrophobicContact CD1-CB 4.37Å; L86-L144 HydrophobicContact CD1-CD2 4.3Å; L86-L144 HydrophobicContact CD1-CG 4.38Å; L89-L144 HydrophobicContact CD1-CD2 4.03Å; Y140-L144 WeakPolarHBondContact O-CB 3.48Å; Y140-L144 PolarHBondContact O-N 2.96Å; I141-L144 PolarHBondContact O-N 2.85Å; L144-R146 VanDerWaalsContact C-N 3.3Å; L144-R146 PolarHBondContact O-N 3.35Å; L144-L147 PolarHBondContact O-N 2.91Å; L144-S148 VanDerWaalsContact O-CB 3.32Å; L144-S148 WeakPolarHBondContact O-CB 3.36Å; L144-S148 PolarHBondContact O-N 3.33Å; L144-S148 PolarHBondContact O-OG 2.91Å; L144-A157 HydrophobicContact CD1-CB 4.25Å; L144-E158 HydrophobicContact CD1-CG 4.18Å; L144-F161 HydrophobicContact CB-CD2 4.08Å; L144-F161 HydrophobicContact CB-CE2 4.27Å; L144-F161 HydrophobicContact CB-CG 4.49Å; L144-F161 HydrophobicContact CD1-CB 3.84Å; L144-F161 HydrophobicContact CD1-CD2 4.33Å; L144-F161 HydrophobicContact CD1-CG 4.07Å
145T94.6Very high89.4Confident58 Ų5871.6 Ų71.636%0.35640%0.397SS..Hα-helixtrans-60.4-40.9173.7-590000111.5I141 I143 S148 S149I141-T145 VanDerWaalsContact O-CB 3.23Å; I141-T145 WeakPolarHBondContact O-CB 3.27Å; I141-T145 PolarHBondContact O-N 3.4Å; I141-T145 PolarHBondContact O-OG1 3.28Å; I143-T145 VanDerWaalsContact C-N 3.35Å; I143-T145 PolarHBondContact O-N 2.87Å; T145-S148 PolarHBondContact O-N 3.39Å; T145-S149 WeakPolarHBondContact O-CB 3.28Å; T145-S149 PolarHBondContact O-N 3.13Å; T145-S149 PolarHBondContact O-OG 3.47Å
146R92.7Very high89Confident166 Ų16669.6 Ų69.663%0.62639%0.39SS*.Hα-helixtrans-68.9-43179.1-163.2-168.9-30.4-72.5-8111.7S142 I143 L144 S148 S149 S150S142-R146 WeakPolarHBondContact O-CB 3.43Å; S142-R146 PolarHBondContact O-N 3.49Å; S142-R146 PolarHBondContact O-NH2 3.03Å; I143-R146 WeakPolarHBondContact O-CB 3.29Å; I143-R146 PolarHBondContact O-N 3.45Å; I143-R146 VanDerWaalsContact O-N 3.13Å; L144-R146 VanDerWaalsContact C-N 3.3Å; L144-R146 PolarHBondContact O-N 3.35Å; R146-S148 VanDerWaalsContact C-N 3.34Å; R146-S149 PolarHBondContact O-N 2.71Å; R146-S150 PolarHBondContact O-N 2.87Å
147L91.3Very high88.7Confident55 Ų5565.3 Ų65.329%0.28837%0.372SS..Hα-helixtrans-62.4-43175.2-70.6173.7000111I143 L144 S149 S150 A157 F161I143-L147 HydrophobicContact CG2-CD1 3.99Å; I143-L147 HydrophobicContact CG2-CG 4.44Å; I143-L147 WeakPolarHBondContact O-CG 3.36Å; I143-L147 PolarHBondContact O-N 3.28Å; L144-L147 PolarHBondContact O-N 2.91Å; L147-S149 VanDerWaalsContact C-N 3.29Å; L147-S149 PolarHBondContact O-N 3.45Å; L147-S150 WeakPolarHBondContact O-CB 3.32Å; L147-S150 PolarHBondContact O-N 3.34Å; L147-S150 VanDerWaalsContact O-N 3.17Å; L147-A157 HydrophobicContact CB-CB 3.71Å; L147-F161 HydrophobicContact CD1-CB 4.32Å; L147-F161 HydrophobicContact CD1-CD2 4.3Å
148S89.1Confident88.5Confident50 Ų5068.1 Ų68.135%0.3539%0.385SS..Hα-helixtrans-65.5-32.9179.6-560000112.5L144 T145 R146 S150 G154L144-S148 VanDerWaalsContact O-CB 3.32Å; L144-S148 WeakPolarHBondContact O-CB 3.36Å; L144-S148 PolarHBondContact O-N 3.33Å; L144-S148 PolarHBondContact O-OG 2.91Å; T145-S148 PolarHBondContact O-N 3.39Å; R146-S148 VanDerWaalsContact C-N 3.34Å; S148-S150 VanDerWaalsContact C-N 3.31Å; S148-G154 WeakPolarHBondContact O-CA 3.33Å
149S88.3Confident88.2Confident94 Ų9472.7 Ų72.766%0.65740%0.397SS*.THydrogen-bonded Turntrans-81-6.5177.3-55.70000114T145 R146 L147 E151T145-S149 WeakPolarHBondContact O-CB 3.28Å; T145-S149 PolarHBondContact O-N 3.13Å; T145-S149 PolarHBondContact O-OG 3.47Å; R146-S149 PolarHBondContact O-N 2.71Å; L147-S149 VanDerWaalsContact C-N 3.29Å; L147-S149 PolarHBondContact O-N 3.45Å; S149-E151 PolarHBondContact O-N 3.37Å
150S81.1Confident88Confident61 Ų6171.8 Ų71.843%0.42739%0.392SS..SBendtrans-89.4107-176-170.70000110.9R146 L147 S148 H153 G154R146-S150 PolarHBondContact O-N 2.87Å; L147-S150 WeakPolarHBondContact O-CB 3.32Å; L147-S150 PolarHBondContact O-N 3.34Å; L147-S150 VanDerWaalsContact O-N 3.17Å; S148-S150 VanDerWaalsContact C-N 3.31Å; S150-H153 CarbonylContact O-C 3.48Å; S150-H153 PolarHBondContact O-N 3.42Å; S150-G154 PolarHBondContact O-N 3.47Å
151E76.1Confident87.9Confident181 Ų18170.4 Ų70.485%0.84639%0.386SS*.THydrogen-bonded Turntrans-75.1145.7167.9-66.7-150.5161.200111.7S149S149-E151 PolarHBondContact O-N 3.37Å
152P70.8Confident87.8Confident105 Ų10569.1 Ų69.168%0.68238%0.38SS*.THydrogen-bonded Turncis-88.66.4-0.235.9-34.8000114.2
153H67.8Low87.7Confident105 Ų10571.3 Ų71.349%0.48638%0.379SS..THydrogen-bonded Turntrans-94.35-167-61-60.8000115.6S150 S155 M156 A157S150-H153 CarbonylContact O-C 3.48Å; S150-H153 PolarHBondContact O-N 3.42Å; H153-S155 PolarHBondContact O-N 2.89Å; H153-S155 VanDerWaalsContact O-N 3.13Å; H153-M156 WeakPolarHBondContact O-CA 3.46Å; H153-M156 PolarHBondContact O-N 2.94Å; H153-A157 PolarHBondContact O-N 3.42Å
154G73.6Confident87.7Confident25 Ų2575.6 Ų75.626%0.25840%0.397SS..G310 helixtrans-55.3-32.3-178.200000114S148 S150 M156 A157S148-G154 WeakPolarHBondContact O-CA 3.33Å; S150-G154 PolarHBondContact O-N 3.47Å; G154-M156 VanDerWaalsContact C-N 3.26Å; G154-M156 PolarHBondContact O-N 3.13Å; G154-A157 VanDerWaalsContact O-CB 3.28Å; G154-A157 WeakPolarHBondContact O-CB 3.26Å; G154-A157 PolarHBondContact O-N 3.36Å
155S77.2Confident87.6Confident125 Ų12577.9 Ų77.987%0.87441%0.411SS*.G310 helixtrans-70.6-16.6175.2570000114.5H153H153-S155 PolarHBondContact O-N 2.89Å; H153-S155 VanDerWaalsContact O-N 3.13Å
156M89.8Confident87.5Confident80 Ų8077.7 Ų77.739%0.39441%0.408SS..G310 helixtrans-105.84.5178.1-155.1163.273.800112.2H153 G154 E158 Y159 L160H153-M156 WeakPolarHBondContact O-CA 3.46Å; H153-M156 PolarHBondContact O-N 2.94Å; G154-M156 VanDerWaalsContact C-N 3.26Å; G154-M156 PolarHBondContact O-N 3.13Å; M156-E158 PolarHBondContact O-N 2.85Å; M156-Y159 HydrophobicContact CG-CD1 3.9Å; M156-Y159 HydrophobicContact CG-CG 4.37Å; M156-Y159 PolarHBondContact O-N 3.5Å; M156-Y159 HydrophobicContact SD-CD1 4.4Å; M156-L160 HydrophobicContact CE-CD1 3.98Å; M156-L160 HydrophobicContact CE-CD2 4.04Å; M156-L160 HydrophobicContact CE-CG 4.06Å; M156-L160 HydrophobicContact CG-CG 4.22Å; M156-L160 WeakPolarHBondContact O-CG 3.43Å; M156-L160 PolarHBondContact O-N 2.61Å
157A92.6Very high87.2Confident2 Ų273.3 Ų73.32%0.01740%0.397CS..Hα-helixtrans-58.8-48.5-174.100000112.8L144 L147 H153 G154 Y159 L160 F161L144-A157 HydrophobicContact CD1-CB 4.25Å; L147-A157 HydrophobicContact CB-CB 3.71Å; H153-A157 PolarHBondContact O-N 3.42Å; G154-A157 VanDerWaalsContact O-CB 3.28Å; G154-A157 WeakPolarHBondContact O-CB 3.26Å; G154-A157 PolarHBondContact O-N 3.36Å; A157-Y159 PolarHBondContact O-N 3.41Å; A157-L160 PolarHBondContact O-N 2.84Å; A157-F161 VanDerWaalsContact O-CB 3.27Å; A157-F161 WeakPolarHBondContact O-CB 3.46Å; A157-F161 PolarHBondContact O-N 3.37Å
158E92.8Very high87Confident62 Ų6274.3 Ų74.329%0.2940%0.403SS..Hα-helixtrans-65.3-39.4179.3-65.5-166.1156.900112L37 G85 L144 M156 F161 D162L37-E158 HydrophobicContact CD1-CB 4.31Å; G85-E158 PolarHBondContact N-OE1 3.11Å; L144-E158 HydrophobicContact CD1-CG 4.18Å; M156-E158 PolarHBondContact O-N 2.85Å; E158-F161 PolarHBondContact O-N 3.04Å; E158-D162 WeakPolarHBondContact O-CB 3.23Å; E158-D162 PolarHBondContact O-N 3.23Å
159Y93.9Very high86.9Confident117 Ų11775.6 Ų75.646%0.45941%0.406SS..Hα-helixtrans-63.1-47.5175.9176.8-97.6000111.9M156 A157 F161 D162 R163M156-Y159 HydrophobicContact CG-CD1 3.9Å; M156-Y159 HydrophobicContact CG-CG 4.37Å; M156-Y159 PolarHBondContact O-N 3.5Å; M156-Y159 HydrophobicContact SD-CD1 4.4Å; A157-Y159 PolarHBondContact O-N 3.41Å; Y159-F161 VanDerWaalsContact C-N 3.3Å; Y159-F161 PolarHBondContact O-N 3.14Å; Y159-D162 PolarHBondContact O-N 2.69Å; Y159-R163 HydrophobicContact CD1-CG 4.48Å; Y159-R163 HydrophobicContact CD2-CG 4.41Å; Y159-R163 HydrophobicContact CE1-CG 4.05Å; Y159-R163 HydrophobicContact CE2-CG 3.97Å; Y159-R163 VanDerWaalsContact O-CG 3.29Å; Y159-R163 WeakPolarHBondContact O-CG 3.42Å; Y159-R163 PolarHBondContact O-N 3.45Å
160L94.2Very high86.8Confident46 Ų4674.5 Ų74.524%0.24139%0.391CS..Hα-helixtrans-64.1-38.7178-72.5172.7000111.6M156 A157 R163 H164M156-L160 HydrophobicContact CE-CD1 3.98Å; M156-L160 HydrophobicContact CE-CD2 4.04Å; M156-L160 HydrophobicContact CE-CG 4.06Å; M156-L160 HydrophobicContact CG-CG 4.22Å; M156-L160 WeakPolarHBondContact O-CG 3.43Å; M156-L160 PolarHBondContact O-N 2.61Å; A157-L160 PolarHBondContact O-N 2.84Å; L160-R163 PolarHBondContact O-N 2.65Å; L160-H164 WeakPolarHBondContact O-CB 3.5Å; L160-H164 PolarHBondContact O-CD2 3.4Å; L160-H164 PolarHBondContact O-N 3Å
161F95.6Very high87.2Confident0 Ų075.4 Ų75.40%039%0.389CS..Hα-helixtrans-64.9-47.3177.2-171.2-88.6000111.6F40 L89 Y140 I143 L144 L147 A157 E158 Y159 R163 H164 T165 L166F40-F161 HydrophobicContact CE1-CD1 4.29Å; F40-F161 HydrophobicContact CE1-CE1 4.18Å; F40-F161 AromaticContact CE2-CD1 3.58Å; F40-F161 HydrophobicContact CE2-CD1 3.58Å; F40-F161 HydrophobicContact CE2-CE1 4.25Å; F40-F161 AromaticContact CZ-CD1 3.34Å; F40-F161 HydrophobicContact CZ-CD1 3.34Å; F40-F161 AromaticContact CZ-CE1 3.64Å; F40-F161 HydrophobicContact CZ-CE1 3.64Å; F40-F161 HydrophobicContact CZ-CG 4.42Å; L89-F161 HydrophobicContact CD1-CE1 4.21Å; L89-F161 HydrophobicContact CD1-CZ 4.34Å; Y140-F161 HydrophobicContact CD1-CE2 4.37Å; Y140-F161 AromaticContact CD1-CZ 3.8Å; Y140-F161 HydrophobicContact CD1-CZ 3.8Å; Y140-F161 HydrophobicContact CD2-CZ 4.21Å; Y140-F161 HydrophobicContact CE1-CZ 4.45Å; Y140-F161 AromaticContact CG-CZ 3.65Å; Y140-F161 HydrophobicContact CG-CZ 3.65Å; I143-F161 HydrophobicContact CB-CD2 4.5Å; I143-F161 HydrophobicContact CB-CE2 4.03Å; I143-F161 HydrophobicContact CG2-CD2 3.85Å; I143-F161 HydrophobicContact CG2-CE2 3.81Å; L144-F161 HydrophobicContact CB-CD2 4.08Å; L144-F161 HydrophobicContact CB-CE2 4.27Å; L144-F161 HydrophobicContact CB-CG 4.49Å; L144-F161 HydrophobicContact CD1-CB 3.84Å; L144-F161 HydrophobicContact CD1-CD2 4.33Å; L144-F161 HydrophobicContact CD1-CG 4.07Å; L147-F161 HydrophobicContact CD1-CB 4.32Å; L147-F161 HydrophobicContact CD1-CD2 4.3Å; A157-F161 VanDerWaalsContact O-CB 3.27Å; A157-F161 WeakPolarHBondContact O-CB 3.46Å; A157-F161 PolarHBondContact O-N 3.37Å; E158-F161 PolarHBondContact O-N 3.04Å; Y159-F161 VanDerWaalsContact C-N 3.3Å; Y159-F161 PolarHBondContact O-N 3.14Å; F161-R163 VanDerWaalsContact C-N 3.27Å; F161-R163 PolarHBondContact O-N 3.39Å; F161-H164 PolarHBondContact O-N 3.17Å; F161-T165 HydrophobicContact CD2-CG2 4.14Å; F161-T165 HydrophobicContact CE1-CG2 4.43Å; F161-T165 HydrophobicContact CE2-CG2 3.55Å; F161-T165 HydrophobicContact CZ-CG2 3.71Å; F161-T165 WeakPolarHBondContact O-CB 3.44Å; F161-T165 PolarHBondContact O-N 3.49Å; F161-L166 HydrophobicContact CD1-CD1 3.94Å; F161-L166 HydrophobicContact CD1-CG 3.91Å; F161-L166 HydrophobicContact CE1-CD1 3.72Å; F161-L166 HydrophobicContact CE1-CD2 3.84Å; F161-L166 HydrophobicContact CE1-CG 3.51Å; F161-L166 HydrophobicContact CZ-CD2 4.43Å; F161-L166 HydrophobicContact CZ-CG 4.42Å; F161-L166 PolarHBondContact O-N 3.31Å
162D96.1Very high87.9Confident1 Ų168.3 Ų68.31%0.00536%0.358CS..Hα-helixtrans-56.5-41.3174.8-177.386.5000111.7L37 H39 F40 E158 Y159L37-D162 VanDerWaalsContact C-OD1 3.24Å; L37-D162 HydrophobicContact CD2-CB 4Å; H39-D162 WeakPolarHBondContact CA-OD1 3.42Å; H39-D162 WeakPolarHBondContact CB-O 3.45Å; H39-D162 WeakPolarHBondContact CB-OD1 3.32Å; H39-D162 IonicContact CE1-OD2 2.92Å; H39-D162 IonicContact CG-OD2 3.88Å; H39-D162 PolarHBondContact N-OD1 2.91Å; H39-D162 PolarHBondContact ND1-O 3.19Å; H39-D162 VanDerWaalsContact ND1-O 3.16Å; H39-D162 IonicContact ND1-OD1 3.55Å; H39-D162 IonicContact ND1-OD2 3.68Å; H39-D162 PolarHBondContact ND1-OD2 3.09Å; F40-D162 HydrophobicContact CD2-CB 3.95Å; F40-D162 HydrophobicContact CE2-CB 4.22Å; F40-D162 PolarHBondContact N-OD1 2.88Å; E158-D162 WeakPolarHBondContact O-CB 3.23Å; E158-D162 PolarHBondContact O-N 3.23Å; Y159-D162 PolarHBondContact O-N 2.69Å
163R94.6Very high89.2Confident105 Ų10565.7 Ų65.740%0.39634%0.335SS..Hα-helixtrans-82.9-26.6-175.2-67.1-58.7-166.7-147.34.6115.6H39 Y159 L160 F161H39-R163 PolarHBondContact CE1-NH1 2.91Å; Y159-R163 HydrophobicContact CD1-CG 4.48Å; Y159-R163 HydrophobicContact CD2-CG 4.41Å; Y159-R163 HydrophobicContact CE1-CG 4.05Å; Y159-R163 HydrophobicContact CE2-CG 3.97Å; Y159-R163 VanDerWaalsContact O-CG 3.29Å; Y159-R163 WeakPolarHBondContact O-CG 3.42Å; Y159-R163 PolarHBondContact O-N 3.45Å; L160-R163 PolarHBondContact O-N 2.65Å; F161-R163 VanDerWaalsContact C-N 3.27Å; F161-R163 PolarHBondContact O-N 3.39Å
164H93.9Very high90.8Very high149 Ų14962.7 Ų62.769%0.6932%0.324SS*.Hα-helixtrans-124.3-7.5-167.2-62.5-63000114.5L160 F161L160-H164 WeakPolarHBondContact O-CB 3.5Å; L160-H164 PolarHBondContact O-CD2 3.4Å; L160-H164 PolarHBondContact O-N 3Å; F161-H164 PolarHBondContact O-N 3.17Å
165T93.8Very high92.2Very high48 Ų4865.8 Ų65.829%0.29433%0.329SS..THydrogen-bonded Turntrans-122.3-38.2-180-52.30000113.1Y140 F161Y140-T165 HydrophobicContact CD1-CG2 3.99Å; Y140-T165 HydrophobicContact CE1-CG2 3.65Å; F161-T165 HydrophobicContact CD2-CG2 4.14Å; F161-T165 HydrophobicContact CE1-CG2 4.43Å; F161-T165 HydrophobicContact CE2-CG2 3.55Å; F161-T165 HydrophobicContact CZ-CG2 3.71Å; F161-T165 WeakPolarHBondContact O-CB 3.44Å; F161-T165 PolarHBondContact O-N 3.49Å
166L92.3Very high93.6Very high55 Ų5560.5 Ų60.529%0.28828%0.279SS..  trans-910177.4-64.5-179.1000113H39 F40 F43 Y140 F161H39-L166 HydrophobicContact CB-CB 3.68Å; F40-L166 HydrophobicContact CB-CD1 4.09Å; F40-L166 HydrophobicContact CD1-CD1 3.43Å; F40-L166 VanDerWaalsContact CD1-CD1 3.43Å; F40-L166 HydrophobicContact CD2-CD1 3.44Å; F40-L166 VanDerWaalsContact CD2-CD1 3.44Å; F40-L166 HydrophobicContact CE1-CD1 3.62Å; F40-L166 HydrophobicContact CE2-CD1 3.63Å; F40-L166 HydrophobicContact CG-CD1 3.35Å; F40-L166 HydrophobicContact CZ-CD1 3.72Å; F43-L166 HydrophobicContact CB-CD2 4.3Å; F43-L166 HydrophobicContact CD2-CD2 4.14Å; F43-L166 HydrophobicContact CG-CD2 4.06Å; Y140-L166 HydrophobicContact CD2-CD2 4.05Å; Y140-L166 HydrophobicContact CE2-CD2 3.48Å; Y140-L166 VanDerWaalsContact CE2-CD2 3.48Å; F161-L166 HydrophobicContact CD1-CD1 3.94Å; F161-L166 HydrophobicContact CD1-CG 3.91Å; F161-L166 HydrophobicContact CE1-CD1 3.72Å; F161-L166 HydrophobicContact CE1-CD2 3.84Å; F161-L166 HydrophobicContact CE1-CG 3.51Å; F161-L166 HydrophobicContact CZ-CD2 4.43Å; F161-L166 HydrophobicContact CZ-CG 4.42Å; F161-L166 PolarHBondContact O-N 3.31Å

Retrieved 166 of 166 residues in 436.3 ms (Link to these results)