A0A060VUQ8_ONCMY Loading...

Cytochrome c oxidase subunit

Component of the cytochrome c oxidase, the last enzyme in the mitochondrial electron transport chain which drives oxidative phosphorylation.

AlphaFold DB , UniProt , Accession A0A060VUQ8, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110491567, Length 86 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
1M59.6Low79Confident202 Ų20299.4 Ų99.4100%0.99553%0.531SS*.  0-54.30-68.6-104.3-77.300111.4D4 I5M1-D4 PolarHBondContact O-N 3.34Å; M1-I5 PolarHBondContact O-N 3.01Å
2A59.7Low80.2Confident76 Ų7694 Ų9463%0.62850%0.498SS*.Hα-helixtrans-65.2-40174.500000113.3D4 I5 A6A2-D4 VanDerWaalsContact C-N 3.28Å; A2-D4 PolarHBondContact O-N 3.22Å; A2-I5 PolarHBondContact O-N 3.35Å; A2-A6 PolarHBondContact O-N 3.02Å; A2-A6 VanDerWaalsContact O-N 3.08Å
3E62Low81.3Confident162 Ų162105.2 Ų105.276%0.75753%0.529SS*.Hα-helixtrans-62.9-31.2177.9-61.5178.3139.600113.4T7E3-T7 WeakPolarHBondContact O-CB 3.21Å; E3-T7 PolarHBondContact O-N 2.82Å; E3-T7 VanDerWaalsContact O-N 3.11Å; E3-T7 PolarHBondContact O-OG1 3.04Å
4D78.7Confident82.3Confident82 Ų82104.3 Ų104.344%0.43953%0.532SS..Hα-helixtrans-71.6-38.4176.5177.451.8000111.5M1 A2 K8M1-D4 PolarHBondContact O-N 3.34Å; A2-D4 VanDerWaalsContact C-N 3.28Å; A2-D4 PolarHBondContact O-N 3.22Å; D4-K8 WeakPolarHBondContact O-CB 3.29Å; D4-K8 VanDerWaalsContact O-CG 3.26Å; D4-K8 WeakPolarHBondContact O-CG 3.49Å; D4-K8 PolarHBondContact O-N 3.41Å; D4-K8 WeakPolarHBondContact OD1-CE 3.27Å; D4-K8 IonicContact OD1-NZ 3.59Å; D4-K8 WeakPolarHBondContact OD2-CE 3.48Å; D4-K8 IonicContact OD2-NZ 3.67Å; D4-K8 PolarHBondContact OD2-NZ 2.82Å
5I81.6Confident83.2Confident56 Ų5698.5 Ų98.529%0.28751%0.506SS..Hα-helixtrans-67.6-44.5175.7-62.4175.7000110.5M1 A2 T7 K8 L9 P53M1-I5 PolarHBondContact O-N 3.01Å; A2-I5 PolarHBondContact O-N 3.35Å; I5-T7 VanDerWaalsContact C-N 3.32Å; I5-T7 PolarHBondContact O-N 3.46Å; I5-K8 PolarHBondContact O-N 3.13Å; I5-L9 HydrophobicContact CG2-CD1 3.92Å; I5-L9 HydrophobicContact CG2-CG 4.24Å; I5-L9 WeakPolarHBondContact O-CB 3.37Å; I5-L9 VanDerWaalsContact O-CG 3.29Å; I5-L9 WeakPolarHBondContact O-CG 3.4Å; I5-L9 PolarHBondContact O-N 3.44Å; I5-P53 HydrophobicContact CD1-CB 4.15Å
6A84.3Confident84Confident47 Ų4796.9 Ų96.939%0.38850%0.504SS..Hα-helixtrans-58-45.3177.100000111.7A2 K8 L9 Q10A2-A6 PolarHBondContact O-N 3.02Å; A2-A6 VanDerWaalsContact O-N 3.08Å; A6-K8 PolarHBondContact O-N 3.18Å; A6-L9 PolarHBondContact O-N 2.95Å; A6-Q10 WeakPolarHBondContact O-CG 3.27Å; A6-Q10 PolarHBondContact O-N 2.92Å
7T87.6Confident84.7Confident70 Ų70100.5 Ų100.543%0.42952%0.516SS..Hα-helixtrans-63.3-42.3176.7-54.60000111.8E3 I5 L9 Q10 N11E3-T7 WeakPolarHBondContact O-CB 3.21Å; E3-T7 PolarHBondContact O-N 2.82Å; E3-T7 VanDerWaalsContact O-N 3.11Å; E3-T7 PolarHBondContact O-OG1 3.04Å; I5-T7 VanDerWaalsContact C-N 3.32Å; I5-T7 PolarHBondContact O-N 3.46Å; T7-L9 VanDerWaalsContact C-N 3.33Å; T7-L9 PolarHBondContact O-N 3.42Å; T7-Q10 PolarHBondContact O-N 3.09Å; T7-N11 PolarHBondContact O-N 3.01Å; T7-N11 PolarHBondContact O-ND2 2.99Å
8K85.6Confident85.3Confident103 Ų10396.7 Ų96.745%0.44850%0.496SS..Hα-helixtrans-63.1-37.8175.3-76.7169.7177.4166.40112.5D4 I5 A6 Y12 W56D4-K8 WeakPolarHBondContact O-CB 3.29Å; D4-K8 VanDerWaalsContact O-CG 3.26Å; D4-K8 WeakPolarHBondContact O-CG 3.49Å; D4-K8 PolarHBondContact O-N 3.41Å; D4-K8 WeakPolarHBondContact OD1-CE 3.27Å; D4-K8 IonicContact OD1-NZ 3.59Å; D4-K8 WeakPolarHBondContact OD2-CE 3.48Å; D4-K8 IonicContact OD2-NZ 3.67Å; D4-K8 PolarHBondContact OD2-NZ 2.82Å; I5-K8 PolarHBondContact O-N 3.13Å; A6-K8 PolarHBondContact O-N 3.18Å; K8-Y12 PolarHBondContact O-N 3.24Å; K8-Y12 VanDerWaalsContact O-N 3.11Å; K8-W56 HydrophobicContact CB-CE3 4.5Å; K8-W56 HydrophobicContact CB-CZ3 4.2Å
9L88.1Confident86Confident18 Ų1895.7 Ų95.79%0.09450%0.504CS..Hα-helixtrans-68.9-39.9176.2-71.3172.1000111.8I5 A6 T7 Y12 D55 W56 R59I5-L9 HydrophobicContact CG2-CD1 3.92Å; I5-L9 HydrophobicContact CG2-CG 4.24Å; I5-L9 WeakPolarHBondContact O-CB 3.37Å; I5-L9 VanDerWaalsContact O-CG 3.29Å; I5-L9 WeakPolarHBondContact O-CG 3.4Å; I5-L9 PolarHBondContact O-N 3.44Å; A6-L9 PolarHBondContact O-N 2.95Å; T7-L9 VanDerWaalsContact C-N 3.33Å; T7-L9 PolarHBondContact O-N 3.42Å; L9-Y12 WeakPolarHBondContact O-CB 3.3Å; L9-Y12 PolarHBondContact O-N 3.46Å; L9-D55 HydrophobicContact CD1-CB 4.21Å; L9-D55 HydrophobicContact CD2-CB 4.22Å; L9-W56 HydrophobicContact CD2-CB 4.28Å; L9-W56 HydrophobicContact CD2-CE3 4.34Å; L9-R59 VanDerWaalsContact O-CZ 3.25Å; L9-R59 PolarHBondContact O-NH1 3.26Å; L9-R59 PolarHBondContact O-NH2 2.99Å
10Q90.3Very high86.5Confident155 Ų15598.2 Ų98.272%0.72451%0.506SS*.Hα-helixtrans-63.3-42.1176.1-74.2178.70.600112A6 T7 Y12A6-Q10 WeakPolarHBondContact O-CG 3.27Å; A6-Q10 PolarHBondContact O-N 2.92Å; T7-Q10 PolarHBondContact O-N 3.09Å; Q10-Y12 VanDerWaalsContact C-N 3.34Å; Q10-Y12 PolarHBondContact O-N 3.31Å
11N92Very high87Confident122 Ų12294.7 Ų94.765%0.65249%0.487SS*.THydrogen-bonded Turntrans-89.77-177.7-66.7-37.8000114.3T7 R13T7-N11 PolarHBondContact O-N 3.01Å; T7-N11 PolarHBondContact O-ND2 2.99Å; N11-R13 PolarHBondContact O-N 3.49Å
12Y93Very high88.8Confident35 Ų3588.8 Ų88.814%0.13746%0.464CS..  trans-66.5125.3-177.9-176.5-87.3000111.6K8 L9 Q10 T14 A15 W56 R59 V60 S63K8-Y12 PolarHBondContact O-N 3.24Å; K8-Y12 VanDerWaalsContact O-N 3.11Å; L9-Y12 WeakPolarHBondContact O-CB 3.3Å; L9-Y12 PolarHBondContact O-N 3.46Å; Q10-Y12 VanDerWaalsContact C-N 3.34Å; Q10-Y12 PolarHBondContact O-N 3.31Å; Y12-T14 WeakPolarHBondContact CE2-O 3.33Å; Y12-T14 VanDerWaalsContact OH-C 3.31Å; Y12-A15 WeakPolarHBondContact OH-CA 3.5Å; Y12-A15 PolarHBondContact OH-N 2.96Å; Y12-W56 HydrophobicContact CD2-CE3 4.18Å; Y12-W56 HydrophobicContact CD2-CH2 4.01Å; Y12-W56 AromaticContact CD2-CZ3 3.58Å; Y12-W56 HydrophobicContact CD2-CZ3 3.58Å; Y12-W56 HydrophobicContact CE2-CH2 4.15Å; Y12-W56 HydrophobicContact CE2-CZ3 4.08Å; Y12-R59 HydrophobicContact CD1-CB 4.08Å; Y12-R59 HydrophobicContact CD1-CG 4.44Å; Y12-R59 HydrophobicContact CD2-CB 4.34Å; Y12-R59 HydrophobicContact CE1-CB 3.73Å; Y12-R59 HydrophobicContact CE1-CG 4.5Å; Y12-R59 HydrophobicContact CE2-CB 4.01Å; Y12-R59 HydrophobicContact CG-CB 4.36Å; Y12-R59 PolarHBondContact OH-O 3.04Å; Y12-R59 VanDerWaalsContact OH-O 3.09Å; Y12-V60 HydrophobicContact CE2-CG2 4.2Å; Y12-S63 PolarHBondContact OH-OG 2.84Å
13R94.1Very high90.6Very high239 Ų23990.9 Ų90.990%0.90247%0.465SS*.  trans-109.1-50.2174.1-64.8-173.6177.4-168.6-0.8112.7N11N11-R13 PolarHBondContact O-N 3.49Å
14T95.6Very high92.3Very high93 Ų9392.6 Ų92.657%0.57147%0.473SS*.SBendtrans-153.6171.6179.1-1720000109.3Y12Y12-T14 WeakPolarHBondContact CE2-O 3.33Å; Y12-T14 VanDerWaalsContact OH-C 3.31Å
15A95.5Very high93.2Very high17 Ų1794.1 Ų94.114%0.1448%0.481CS..PPolyproline II helixtrans-60.9123.6175.500000109.9Y12 V60 L64Y12-A15 WeakPolarHBondContact OH-CA 3.5Å; Y12-A15 PolarHBondContact OH-N 2.96Å; A15-V60 HydrophobicContact CB-CG1 4.1Å; A15-L64 HydrophobicContact CB-CD1 4.2Å; A15-L64 HydrophobicContact CB-CD2 3.84Å; A15-L64 HydrophobicContact CB-CG 3.84Å
16P95.8Very high94Very high73 Ų7394.7 Ų94.747%0.47448%0.482SS..PPolyproline II helixtrans-71.3167.7176.331.8-35.4000110.7D18 W56P16-D18 PolarHBondContact O-N 3.14Å; P16-W56 HydrophobicContact CG-CH2 4Å; P16-W56 HydrophobicContact CG-CZ2 3.79Å
17F96.3Very high94.6Very high159 Ų15995.7 Ų95.770%0.69748%0.484SS*.PPolyproline II helixtrans-58.7131.3169.9175.5-101.7000110.6A19 P22F17-A19 HydrophobicContact CE1-CB 4.08Å; F17-P22 HydrophobicContact CE2-CB 4.48Å; F17-P22 HydrophobicContact CZ-CB 4.16Å
18D96.6Very high95.1Very high32 Ų3299.6 Ų99.617%0.17149%0.491CS..  trans-114.4113.2176.2-172.9-17.8000109.6P16 R20 F21P16-D18 PolarHBondContact O-N 3.14Å; D18-R20 PolarHBondContact O-N 3.1Å; D18-R20 VanDerWaalsContact O-N 3.11Å; D18-R20 VanDerWaalsContact OD1-CB 3.22Å; D18-R20 WeakPolarHBondContact OD1-CB 3.3Å; D18-R20 VanDerWaalsContact OD1-CG 3.26Å; D18-R20 WeakPolarHBondContact OD1-CG 3.28Å; D18-R20 PolarHBondContact OD1-N 3.27Å; D18-R20 IonicContact OD1-NE 3.12Å; D18-R20 PolarHBondContact OD1-NE 2.85Å; D18-R20 VanDerWaalsContact OD1-NE 3.12Å; D18-R20 IonicContact OD2-CZ 3.24Å; D18-R20 VanDerWaalsContact OD2-CZ 3.24Å; D18-R20 IonicContact OD2-NE 2.97Å; D18-R20 PolarHBondContact OD2-NE 3.13Å; D18-R20 IonicContact OD2-NH2 2.68Å; D18-R20 PolarHBondContact OD2-NH2 3.09Å; D18-F21 HydrophobicContact CB-CD2 4.15Å; D18-F21 CarbonylContact O-C 3.47Å; D18-F21 PolarHBondContact O-N 3.17Å; D18-F21 WeakPolarHBondContact OD2-CD2 3.48Å; D18-F21 WeakPolarHBondContact OD2-CE2 3.02Å
19A97.1Very high95.7Very high78 Ų7895 Ų9565%0.64547%0.471SS*.THydrogen-bonded Turntrans-63-16.8-179.300000113.6F17 F21 P22F17-A19 HydrophobicContact CE1-CB 4.08Å; A19-F21 VanDerWaalsContact C-N 3.26Å; A19-P22 WeakPolarHBondContact O-CD 3.42Å
20R96.8Very high96.2Very high145 Ų14594.2 Ų94.255%0.54747%0.467SS..THydrogen-bonded Turntrans-71.6-22.6172.9-57176.3-62.5167.32.6112.3D18 P22D18-R20 PolarHBondContact O-N 3.1Å; D18-R20 VanDerWaalsContact O-N 3.11Å; D18-R20 VanDerWaalsContact OD1-CB 3.22Å; D18-R20 WeakPolarHBondContact OD1-CB 3.3Å; D18-R20 VanDerWaalsContact OD1-CG 3.26Å; D18-R20 WeakPolarHBondContact OD1-CG 3.28Å; D18-R20 PolarHBondContact OD1-N 3.27Å; D18-R20 IonicContact OD1-NE 3.12Å; D18-R20 PolarHBondContact OD1-NE 2.85Å; D18-R20 VanDerWaalsContact OD1-NE 3.12Å; D18-R20 IonicContact OD2-CZ 3.24Å; D18-R20 VanDerWaalsContact OD2-CZ 3.24Å; D18-R20 IonicContact OD2-NE 2.97Å; D18-R20 PolarHBondContact OD2-NE 3.13Å; D18-R20 IonicContact OD2-NH2 2.68Å; D18-R20 PolarHBondContact OD2-NH2 3.09Å; R20-P22 VanDerWaalsContact C-CD 3.5Å
21F97.5Very high96.5Very high24 Ų2489.9 Ų89.911%0.10545%0.446CS..SBendtrans-129.564.5-179-49.1-71.5000110.6D18 A19 N23 Q26 R28 N29 Y32D18-F21 HydrophobicContact CB-CD2 4.15Å; D18-F21 CarbonylContact O-C 3.47Å; D18-F21 PolarHBondContact O-N 3.17Å; D18-F21 WeakPolarHBondContact OD2-CD2 3.48Å; D18-F21 WeakPolarHBondContact OD2-CE2 3.02Å; A19-F21 VanDerWaalsContact C-N 3.26Å; F21-N23 VanDerWaalsContact C-N 3.3Å; F21-N23 PolarHBondContact O-N 2.89Å; F21-Q26 PolarHBondContact O-NE2 3.17Å; F21-R28 HydrophobicContact CD1-CB 3.95Å; F21-R28 HydrophobicContact CE1-CB 3.72Å; F21-N29 HydrophobicContact CB-CB 3.86Å; F21-N29 HydrophobicContact CD1-CB 4.2Å; F21-N29 HydrophobicContact CD2-CB 3.47Å; F21-N29 VanDerWaalsContact CD2-CB 3.47Å; F21-N29 WeakPolarHBondContact CD2-OD1 3.29Å; F21-N29 HydrophobicContact CE2-CB 4.05Å; F21-N29 HydrophobicContact CG-CB 3.56Å; F21-Y32 AromaticContact CE1-CD2 3.56Å; F21-Y32 HydrophobicContact CE1-CD2 3.56Å; F21-Y32 AromaticContact CE1-CE2 3.95Å; F21-Y32 HydrophobicContact CE1-CE2 3.95Å; F21-Y32 AromaticContact CZ-CD2 3.39Å; F21-Y32 HydrophobicContact CZ-CD2 3.39Å; F21-Y32 HydrophobicContact CZ-CE2 4.13Å; F21-Y32 HydrophobicContact CZ-CG 4.04Å
22P97.7Very high96.8Very high78 Ų7887.9 Ų87.951%0.50643%0.43SS..  trans-78.2-14.4-171.632.5-35.9000113.7F17 A19 R20F17-P22 HydrophobicContact CE2-CB 4.48Å; F17-P22 HydrophobicContact CZ-CB 4.16Å; A19-P22 WeakPolarHBondContact O-CD 3.42Å; R20-P22 VanDerWaalsContact C-CD 3.5Å
23N97.7Very high97Very high120 Ų12086.4 Ų86.464%0.64242%0.424SS*.SBendtrans-87.3163.7-172.6-62.8-32.8000112.1F21 N25 Q26F21-N23 VanDerWaalsContact C-N 3.3Å; F21-N23 PolarHBondContact O-N 2.89Å; N23-N25 PolarHBondContact O-N 3.5Å; N23-N25 VanDerWaalsContact O-N 3.17Å; N23-Q26 PolarHBondContact O-NE2 2.92Å
24Q97.6Very high97.2Very high199 Ų19975 Ų7593%0.9338%0.381SS*.SBendtrans-57.7-30.6177-68.6178.5-11.500113.5Q26Q24-Q26 PolarHBondContact O-N 2.03Å; Q24-Q26 VanDerWaalsContact O-N 3.13Å
25N97.7Very high97.4Very high114 Ų11470.9 Ų70.961%0.6136%0.356SS*.  trans-76102176.3-173.2-11.4000111.4N23 T27N23-N25 PolarHBondContact O-N 3.5Å; N23-N25 VanDerWaalsContact O-N 3.17Å; N25-T27 VanDerWaalsContact OD1-CB 3.26Å; N25-T27 WeakPolarHBondContact OD1-CB 3.38Å; N25-T27 PolarHBondContact OD1-N 2.99Å; N25-T27 VanDerWaalsContact OD1-N 3.12Å; N25-T27 PolarHBondContact OD1-OG1 3.21Å
26Q97.6Very high97.4Very high67 Ų6771.6 Ų71.631%0.31336%0.357SS..  trans-95.57.5-178.2-68-62.9-45.400114.4F21 N23 Q24 R28 N29 C30F21-Q26 PolarHBondContact O-NE2 3.17Å; N23-Q26 PolarHBondContact O-NE2 2.92Å; Q24-Q26 PolarHBondContact O-N 2.03Å; Q24-Q26 VanDerWaalsContact O-N 3.13Å; Q26-R28 VanDerWaalsContact C-N 3.3Å; Q26-R28 PolarHBondContact O-N 3.42Å; Q26-N29 WeakPolarHBondContact O-CB 3.49Å; Q26-N29 PolarHBondContact O-N 3.49Å; Q26-N29 VanDerWaalsContact OE1-CB 3.25Å; Q26-N29 PolarHBondContact OE1-ND2 3.37Å; Q26-C30 PolarHBondContact O-N 3.17Å; Q26-C30 VanDerWaalsContact O-N 3.14Å
27T97.4Very high97.5Very high68 Ų6869.4 Ų69.442%0.41734%0.339SS..Hα-helixtrans-56.7-44-177.4-55.80000112N25 F31 W69N25-T27 VanDerWaalsContact OD1-CB 3.26Å; N25-T27 WeakPolarHBondContact OD1-CB 3.38Å; N25-T27 PolarHBondContact OD1-N 2.99Å; N25-T27 VanDerWaalsContact OD1-N 3.12Å; N25-T27 PolarHBondContact OD1-OG1 3.21Å; T27-F31 PolarHBondContact O-N 2.91Å; T27-F31 VanDerWaalsContact O-N 3.1Å; T27-W69 HydrophobicContact CG2-CH2 3.85Å; T27-W69 HydrophobicContact CG2-CZ3 3.85Å
28R97.4Very high97.6Very high153 Ų15362.6 Ų62.658%0.57731%0.31SS*.Hα-helixtrans-66.9-38.4178.1-70.2-177.973.3-168.2-1.4111.6F21 Q26 C30 F31 Y32F21-R28 HydrophobicContact CD1-CB 3.95Å; F21-R28 HydrophobicContact CE1-CB 3.72Å; Q26-R28 VanDerWaalsContact C-N 3.3Å; Q26-R28 PolarHBondContact O-N 3.42Å; R28-C30 PolarHBondContact O-N 3.35Å; R28-F31 PolarHBondContact O-N 3.25Å; R28-Y32 HydrophobicContact CB-CD2 4.04Å; R28-Y32 HydrophobicContact CB-CE2 4.06Å; R28-Y32 PolarHBondContact NH2-OH 3.19Å; R28-Y32 WeakPolarHBondContact O-CB 3.45Å; R28-Y32 WeakPolarHBondContact O-CD2 3.23Å; R28-Y32 PolarHBondContact O-N 2.93Å
29N98.1Very high97.6Very high5 Ų565.1 Ų65.13%0.02732%0.317CS..Hα-helixtrans-59-50.5178.8-168.2-1.9000111.1F21 Q26 N33 L64F21-N29 HydrophobicContact CB-CB 3.86Å; F21-N29 HydrophobicContact CD1-CB 4.2Å; F21-N29 HydrophobicContact CD2-CB 3.47Å; F21-N29 VanDerWaalsContact CD2-CB 3.47Å; F21-N29 WeakPolarHBondContact CD2-OD1 3.29Å; F21-N29 HydrophobicContact CE2-CB 4.05Å; F21-N29 HydrophobicContact CG-CB 3.56Å; Q26-N29 WeakPolarHBondContact O-CB 3.49Å; Q26-N29 PolarHBondContact O-N 3.49Å; Q26-N29 VanDerWaalsContact OE1-CB 3.25Å; Q26-N29 PolarHBondContact OE1-ND2 3.37Å; N29-N33 PolarHBondContact O-N 2.67Å; N29-N33 VanDerWaalsContact O-N 3.15Å; N29-N33 PolarHBondContact O-ND2 3.19Å; N29-N33 PolarHBondContact OD1-ND2 3.36Å; N29-L64 HydrophobicContact CB-CD1 4.17Å; N29-L64 VanDerWaalsContact CG-CD1 3.42Å; N29-L64 WeakPolarHBondContact ND2-CD1 3.1Å; N29-L64 WeakPolarHBondContact OD1-CD1 3.43Å
30C98.1Very high97.6Very high3 Ų362.7 Ų62.72%0.0230%0.295CS..Hα-helixtrans-55-54.7173.7156.80000111.7Q26 R28 Y32 N33 Y34 L64 C65Q26-C30 PolarHBondContact O-N 3.17Å; Q26-C30 VanDerWaalsContact O-N 3.14Å; R28-C30 PolarHBondContact O-N 3.35Å; C30-Y32 PolarHBondContact O-N 2.89Å; C30-N33 PolarHBondContact O-N 2.93Å; C30-Y34 PolarHBondContact O-N 3.12Å; C30-Y34 VanDerWaalsContact O-N 3.09Å; C30-L64 HydrophobicContact CB-CB 4.24Å; C30-C65 VanDerWaalsContact C-SG 3.57Å; C30-C65 WeakPolarHBondContact CA-SG 3.36Å; C30-C65 HydrophobicContact CB-CB 4.14Å; C30-C65 WeakPolarHBondContact CB-SG 3.35Å; C30-C65 PolarHBondContact O-SG 3.48Å; C30-C65 WeakPolarHBondContact SG-CA 3.43Å; C30-C65 WeakPolarHBondContact SG-CB 3.38Å; C30-C65 CovalentContact SG-SG 2.02Å; C30-C65 PolarHBondContact SG-SG 3.36Å
31F97.9Very high97.6Very high64 Ų6457.4 Ų57.428%0.28128%0.276SS..Hα-helixtrans-64.3-41.3-174.8-175.7-115.6000113.2T27 R28 Y34 L35 W73 F82T27-F31 PolarHBondContact O-N 2.91Å; T27-F31 VanDerWaalsContact O-N 3.1Å; R28-F31 PolarHBondContact O-N 3.25Å; F31-Y34 PolarHBondContact O-N 3.48Å; F31-L35 HydrophobicContact CD1-CD1 3.97Å; F31-L35 HydrophobicContact CE1-CD1 3.51Å; F31-L35 HydrophobicContact CE1-CG 4.26Å; F31-L35 HydrophobicContact CE2-CD1 4.48Å; F31-L35 HydrophobicContact CE2-CG 4.39Å; F31-L35 HydrophobicContact CZ-CD1 3.8Å; F31-L35 HydrophobicContact CZ-CD2 4.29Å; F31-L35 HydrophobicContact CZ-CG 4.16Å; F31-L35 WeakPolarHBondContact O-CG 3.3Å; F31-L35 PolarHBondContact O-N 2.68Å; F31-W73 HydrophobicContact CB-CH2 4.35Å; F31-W73 AromaticContact CD2-CH2 3.92Å; F31-W73 HydrophobicContact CD2-CH2 3.92Å; F31-W73 AromaticContact CD2-CZ2 3.84Å; F31-W73 HydrophobicContact CD2-CZ2 3.84Å; F31-W73 HydrophobicContact CD2-CZ3 4.39Å; F31-W73 HydrophobicContact CE2-CZ2 4.49Å; F31-F82 HydrophobicContact CE2-CE2 4.32Å; F31-F82 AromaticContact CE2-CZ 3.88Å; F31-F82 HydrophobicContact CE2-CZ 3.88Å; F31-F82 HydrophobicContact CZ-CZ 4.31Å
32Y97.3Very high97.5Very high80 Ų8062.1 Ų62.131%0.31430%0.297SS..Hα-helixtrans-64.6-43.8177.5-82-66.9000112.1F21 R28 C30 Y34 L35 D36F21-Y32 AromaticContact CE1-CD2 3.56Å; F21-Y32 HydrophobicContact CE1-CD2 3.56Å; F21-Y32 AromaticContact CE1-CE2 3.95Å; F21-Y32 HydrophobicContact CE1-CE2 3.95Å; F21-Y32 AromaticContact CZ-CD2 3.39Å; F21-Y32 HydrophobicContact CZ-CD2 3.39Å; F21-Y32 HydrophobicContact CZ-CE2 4.13Å; F21-Y32 HydrophobicContact CZ-CG 4.04Å; R28-Y32 HydrophobicContact CB-CD2 4.04Å; R28-Y32 HydrophobicContact CB-CE2 4.06Å; R28-Y32 PolarHBondContact NH2-OH 3.19Å; R28-Y32 WeakPolarHBondContact O-CB 3.45Å; R28-Y32 WeakPolarHBondContact O-CD2 3.23Å; R28-Y32 PolarHBondContact O-N 2.93Å; C30-Y32 PolarHBondContact O-N 2.89Å; Y32-Y34 VanDerWaalsContact C-N 3.3Å; Y32-Y34 PolarHBondContact O-N 3.04Å; Y32-L35 PolarHBondContact O-N 2.82Å; Y32-D36 WeakPolarHBondContact O-CB 3.47Å; Y32-D36 PolarHBondContact O-N 2.98Å
33N98.1Very high97.3Very high4 Ų461 Ų612%0.02129%0.291CS..Hα-helixtrans-65.7-34.1178.5-78-83.8000112.5N29 C30 D36 Y37 V60N29-N33 PolarHBondContact O-N 2.67Å; N29-N33 VanDerWaalsContact O-N 3.15Å; N29-N33 PolarHBondContact O-ND2 3.19Å; N29-N33 PolarHBondContact OD1-ND2 3.36Å; C30-N33 PolarHBondContact O-N 2.93Å; N33-D36 PolarHBondContact O-N 3.26Å; N33-Y37 PolarHBondContact O-N 3.43Å; N33-V60 HydrophobicContact CB-CB 4.44Å; N33-V60 HydrophobicContact CB-CG1 4.05Å; N33-V60 VanDerWaalsContact CG-CG1 3.4Å; N33-V60 WeakPolarHBondContact OD1-CG1 3.43Å
34Y98.3Very high97.2Very high0 Ų056.7 Ų56.70%027%0.268CS..Hα-helixtrans-62.4-47.4172.2178.7-95.5000111.4C30 F31 Y32 Y37 H38 Y61 I70 W73 D74 R77 F82C30-Y34 PolarHBondContact O-N 3.12Å; C30-Y34 VanDerWaalsContact O-N 3.09Å; F31-Y34 PolarHBondContact O-N 3.48Å; Y32-Y34 VanDerWaalsContact C-N 3.3Å; Y32-Y34 PolarHBondContact O-N 3.04Å; Y34-Y37 PolarHBondContact O-N 3.06Å; Y34-H38 AromaticContact CD2-NE2 3.85Å; Y34-H38 AromaticContact CE1-CD2 3.77Å; Y34-H38 AromaticContact CE2-CD2 3.92Å; Y34-H38 AromaticContact CE2-NE2 3.34Å; Y34-H38 VanDerWaalsContact CE2-NE2 3.34Å; Y34-H38 WeakPolarHBondContact CE2-NE2 3.29Å; Y34-H38 AromaticContact CZ-CD2 3.72Å; Y34-H38 AromaticContact CZ-NE2 3.44Å; Y34-H38 PolarHBondContact O-CD2 3.48Å; Y34-H38 PolarHBondContact O-N 3.45Å; Y34-Y61 HydrophobicContact CD2-CD2 4.01Å; Y34-Y61 HydrophobicContact CD2-CE1 4.5Å; Y34-Y61 AromaticContact CD2-CE2 3.99Å; Y34-Y61 HydrophobicContact CD2-CE2 3.99Å; Y34-Y61 HydrophobicContact CD2-CG 4.35Å; Y34-I70 HydrophobicContact CE2-CG2 4.34Å; Y34-W73 HydrophobicContact CD1-CD2 4.47Å; Y34-W73 AromaticContact CD1-CE3 3.88Å; Y34-W73 HydrophobicContact CD1-CE3 3.88Å; Y34-W73 HydrophobicContact CD1-CZ3 4.49Å; Y34-W73 HydrophobicContact CD2-CE3 4.04Å; Y34-W73 HydrophobicContact CE1-CB 3.65Å; Y34-W73 HydrophobicContact CE1-CD2 4.39Å; Y34-W73 HydrophobicContact CE1-CE3 4.1Å; Y34-W73 HydrophobicContact CE1-CG 4.27Å; Y34-W73 HydrophobicContact CE2-CB 4.29Å; Y34-W73 HydrophobicContact CE2-CE3 4.25Å; Y34-W73 AromaticContact CG-CE3 3.83Å; Y34-W73 HydrophobicContact CG-CE3 3.83Å; Y34-W73 HydrophobicContact CG-CZ3 4.2Å; Y34-W73 VanDerWaalsContact CZ-CB 3.49Å; Y34-W73 WeakPolarHBondContact OH-CB 3.38Å; Y34-W73 PolarHBondContact OH-O 2.87Å; Y34-D74 PolarHBondContact OH-N 2.81Å; Y34-D74 PolarHBondContact OH-OD1 3.14Å; Y34-R77 WeakPolarHBondContact OH-CD 3.42Å; Y34-R77 PolarHBondContact OH-NE 3.13Å; Y34-F82 HydrophobicContact CD1-CZ 4.19Å; Y34-F82 HydrophobicContact CE1-CE1 4.46Å; Y34-F82 HydrophobicContact CE1-CE2 4.03Å; Y34-F82 AromaticContact CE1-CZ 3.77Å; Y34-F82 HydrophobicContact CE1-CZ 3.77Å
35L98.1Very high97Very high6 Ų651.9 Ų51.93%0.03125%0.248CC..Hα-helixtrans-62.1-44.7175.6-70.3178000112.5F31 Y32 Y37 H38 R39 F82 I86F31-L35 HydrophobicContact CD1-CD1 3.97Å; F31-L35 HydrophobicContact CE1-CD1 3.51Å; F31-L35 HydrophobicContact CE1-CG 4.26Å; F31-L35 HydrophobicContact CE2-CD1 4.48Å; F31-L35 HydrophobicContact CE2-CG 4.39Å; F31-L35 HydrophobicContact CZ-CD1 3.8Å; F31-L35 HydrophobicContact CZ-CD2 4.29Å; F31-L35 HydrophobicContact CZ-CG 4.16Å; F31-L35 WeakPolarHBondContact O-CG 3.3Å; F31-L35 PolarHBondContact O-N 2.68Å; Y32-L35 PolarHBondContact O-N 2.82Å; L35-Y37 VanDerWaalsContact C-N 3.32Å; L35-Y37 PolarHBondContact O-N 3.49Å; L35-H38 PolarHBondContact O-N 2.99Å; L35-R39 WeakPolarHBondContact O-CB 3.38Å; L35-R39 VanDerWaalsContact O-CG 3.25Å; L35-R39 WeakPolarHBondContact O-CG 3.47Å; L35-R39 PolarHBondContact O-N 3.21Å; L35-F82 HydrophobicContact CD2-CE1 3.54Å; L35-F82 HydrophobicContact CD2-CZ 3.76Å; L35-I86 HydrophobicContact CD2-CG1 4.1Å
36D97.4Very high96.9Very high32 Ų3250.7 Ų50.717%0.17125%0.254CS..Hα-helixtrans-64.8-37.2-176.5-71.1-17000111.3Y32 N33 R39 C40 Y57Y32-D36 WeakPolarHBondContact O-CB 3.47Å; Y32-D36 PolarHBondContact O-N 2.98Å; N33-D36 PolarHBondContact O-N 3.26Å; D36-R39 IonicContact OD1-NH1 2.69Å; D36-C40 WeakPolarHBondContact O-CB 3.19Å; D36-C40 PolarHBondContact O-N 2.93Å; D36-Y57 HydrophobicContact CB-CD1 3.85Å; D36-Y57 HydrophobicContact CB-CD2 4.35Å; D36-Y57 HydrophobicContact CB-CE1 4Å; D36-Y57 HydrophobicContact CB-CE2 4.49Å; D36-Y57 HydrophobicContact CB-CG 4.04Å
37Y97.7Very high96.7Very high26 Ų2654.5 Ų54.510%0.10227%0.27CS..Hα-helixtrans-57.1-52.1171.6172.9-112.2000111.7N33 Y34 L35 C40 Q41 C54 K58 Y61N33-Y37 PolarHBondContact O-N 3.43Å; Y34-Y37 PolarHBondContact O-N 3.06Å; L35-Y37 VanDerWaalsContact C-N 3.32Å; L35-Y37 PolarHBondContact O-N 3.49Å; Y37-C40 PolarHBondContact O-N 3.47Å; Y37-Q41 HydrophobicContact CD2-CG 4.16Å; Y37-Q41 HydrophobicContact CE1-CG 4.35Å; Y37-Q41 HydrophobicContact CE2-CG 3.78Å; Y37-Q41 WeakPolarHBondContact O-CB 3.46Å; Y37-Q41 WeakPolarHBondContact O-CG 3.43Å; Y37-Q41 PolarHBondContact O-N 2.83Å; Y37-C54 HydrophobicContact CD2-CB 4.13Å; Y37-C54 WeakPolarHBondContact CD2-O 3.45Å; Y37-C54 HydrophobicContact CE2-CB 4.37Å; Y37-K58 HydrophobicContact CD2-CB 3.72Å; Y37-K58 HydrophobicContact CD2-CG 4.41Å; Y37-K58 HydrophobicContact CE2-CB 3.69Å; Y37-K58 HydrophobicContact CE2-CD 3.81Å; Y37-K58 HydrophobicContact CE2-CG 4.04Å; Y37-K58 HydrophobicContact CG-CB 4.37Å; Y37-Y61 AromaticContact CD1-CE1 3.64Å; Y37-Y61 HydrophobicContact CD1-CE1 3.64Å; Y37-Y61 HydrophobicContact CD2-CE1 4.49Å; Y37-Y61 HydrophobicContact CE1-CE1 4.39Å; Y37-Y61 HydrophobicContact CG-CD1 4.45Å; Y37-Y61 AromaticContact CG-CE1 3.71Å; Y37-Y61 HydrophobicContact CG-CE1 3.71Å
38H97.5Very high96.5Very high17 Ų1754.8 Ų54.88%0.07929%0.286CS..Hα-helixtrans-71.3-35.1-176.2-66.8-56.3000113.3Y34 L35 K42 R77 I86Y34-H38 AromaticContact CD2-NE2 3.85Å; Y34-H38 AromaticContact CE1-CD2 3.77Å; Y34-H38 AromaticContact CE2-CD2 3.92Å; Y34-H38 AromaticContact CE2-NE2 3.34Å; Y34-H38 VanDerWaalsContact CE2-NE2 3.34Å; Y34-H38 WeakPolarHBondContact CE2-NE2 3.29Å; Y34-H38 AromaticContact CZ-CD2 3.72Å; Y34-H38 AromaticContact CZ-NE2 3.44Å; Y34-H38 PolarHBondContact O-CD2 3.48Å; Y34-H38 PolarHBondContact O-N 3.45Å; L35-H38 PolarHBondContact O-N 2.99Å; H38-K42 VanDerWaalsContact O-CB 3.3Å; H38-K42 WeakPolarHBondContact O-CB 3.42Å; H38-K42 PolarHBondContact O-N 3.28Å; H38-R77 PolarHBondContact CE1-NH1 2.8Å; H38-R77 PolarHBondContact CE1-NH2 3.06Å; H38-R77 PolarHBondContact ND1-NH1 3.38Å; H38-R77 PolarHBondContact NE2-NE 2.81Å; H38-R77 PolarHBondContact NE2-NH2 3.28Å; H38-I86 HydrophobicContact CB-CD1 3.95Å; H38-I86 HydrophobicContact CB-CG1 4.26Å; H38-I86 HydrophobicContact CB-CG2 3.64Å
39R97.2Very high96.3Very high85 Ų8551.4 Ų51.432%0.32128%0.282SS..Hα-helixtrans-64.7-43.2172.2-73166.9179.2169.7-1.6111.5L35 D36 S43 K85 I86L35-R39 WeakPolarHBondContact O-CB 3.38Å; L35-R39 VanDerWaalsContact O-CG 3.25Å; L35-R39 WeakPolarHBondContact O-CG 3.47Å; L35-R39 PolarHBondContact O-N 3.21Å; D36-R39 IonicContact OD1-NH1 2.69Å; R39-S43 VanDerWaalsContact O-CB 3.23Å; R39-S43 WeakPolarHBondContact O-CB 3.2Å; R39-S43 PolarHBondContact O-N 3.1Å; R39-K85 VanDerWaalsContact CZ-O 3.28Å; R39-K85 PolarHBondContact NE-O 3.32Å; R39-K85 PolarHBondContact NH2-O 3.38Å; R39-I86 WeakPolarHBondContact CG-OXT 3.47Å
40C96.8Very high95.9Very high26 Ų2656.5 Ų56.518%0.17631%0.309CS..Hα-helixtrans-61.7-50.8178.1-179.60000110.4D36 Y37 K42 S43 L44 C54 Y57D36-C40 WeakPolarHBondContact O-CB 3.19Å; D36-C40 PolarHBondContact O-N 2.93Å; Y37-C40 PolarHBondContact O-N 3.47Å; C40-K42 PolarHBondContact O-N 3.49Å; C40-S43 PolarHBondContact O-N 3.41Å; C40-L44 WeakPolarHBondContact O-CB 3.49Å; C40-L44 WeakPolarHBondContact O-CG 3.34Å; C40-L44 PolarHBondContact O-N 3.38Å; C40-C54 HydrophobicContact CB-CB 3.76Å; C40-C54 WeakPolarHBondContact CB-SG 3.43Å; C40-C54 WeakPolarHBondContact SG-CA 3.5Å; C40-C54 WeakPolarHBondContact SG-CB 3.23Å; C40-C54 CovalentContact SG-SG 2.03Å; C40-C54 PolarHBondContact SG-SG 2.88Å; C40-Y57 HydrophobicContact CB-CD2 4.34Å; C40-Y57 HydrophobicContact CB-CE2 4.39Å
41Q96Very high95.5Very high34 Ų3458 Ų5816%0.15932%0.318CS..Hα-helixtrans-54.7-55.7176-74.8-77.8-39.700110.8Y37 S43 L44 D45 T51 C54Y37-Q41 HydrophobicContact CD2-CG 4.16Å; Y37-Q41 HydrophobicContact CE1-CG 4.35Å; Y37-Q41 HydrophobicContact CE2-CG 3.78Å; Y37-Q41 WeakPolarHBondContact O-CB 3.46Å; Y37-Q41 WeakPolarHBondContact O-CG 3.43Å; Y37-Q41 PolarHBondContact O-N 2.83Å; Q41-S43 VanDerWaalsContact C-N 3.3Å; Q41-S43 PolarHBondContact O-N 3.04Å; Q41-L44 PolarHBondContact O-N 3.33Å; Q41-D45 VanDerWaalsContact O-CB 3.29Å; Q41-D45 WeakPolarHBondContact O-CB 3.48Å; Q41-D45 PolarHBondContact O-N 3.46Å; Q41-T51 VanDerWaalsContact NE2-CB 3.27Å; Q41-T51 PolarHBondContact NE2-OG1 3.5Å; Q41-C54 HydrophobicContact CG-CB 4.21Å; Q41-C54 PolarHBondContact N-SG 3.28Å; Q41-C54 VanDerWaalsContact N-SG 3.42Å
42K95.3Very high95.1Very high123 Ų12356.5 Ų56.554%0.53532%0.318SS..Hα-helixtrans-54.7-42.6178.7-174.1-175.8-175.6-172.50113.3H38 C40 A46 I86H38-K42 VanDerWaalsContact O-CB 3.3Å; H38-K42 WeakPolarHBondContact O-CB 3.42Å; H38-K42 PolarHBondContact O-N 3.28Å; C40-K42 PolarHBondContact O-N 3.49Å; K42-A46 VanDerWaalsContact O-CB 3.23Å; K42-A46 WeakPolarHBondContact O-CB 3.38Å; K42-A46 PolarHBondContact O-N 2.87Å; K42-A46 VanDerWaalsContact O-N 3.13Å; K42-I86 HydrophobicContact CD-CG2 4.31Å; K42-I86 PolarHBondContact NZ-O 2.77Å
43S95Very high94.7Very high54 Ų5455 Ų5538%0.37832%0.318SS..Hα-helixtrans-70.6-39.6-178.9-174.30000112.6R39 C40 Q41 K47R39-S43 VanDerWaalsContact O-CB 3.23Å; R39-S43 WeakPolarHBondContact O-CB 3.2Å; R39-S43 PolarHBondContact O-N 3.1Å; C40-S43 PolarHBondContact O-N 3.41Å; Q41-S43 VanDerWaalsContact C-N 3.3Å; Q41-S43 PolarHBondContact O-N 3.04Å; S43-K47 WeakPolarHBondContact O-CD 3.29Å; S43-K47 VanDerWaalsContact O-CG 3.29Å; S43-K47 WeakPolarHBondContact O-CG 3.41Å; S43-K47 PolarHBondContact O-N 3.2Å
44L94.3Very high94.5Very high30 Ų3054.8 Ų54.816%0.15732%0.317CS..Hα-helixtrans-77.7-39.8-179.8-67.6-174.1000112C40 Q41 A46 K47 G48 V49 D50 T51 C54C40-L44 WeakPolarHBondContact O-CB 3.49Å; C40-L44 WeakPolarHBondContact O-CG 3.34Å; C40-L44 PolarHBondContact O-N 3.38Å; Q41-L44 PolarHBondContact O-N 3.33Å; L44-A46 VanDerWaalsContact C-N 3.33Å; L44-A46 PolarHBondContact O-N 3.49Å; L44-K47 CarbonylContact O-C 3.32Å; L44-K47 WeakPolarHBondContact O-CA 3.28Å; L44-K47 PolarHBondContact O-N 3.4Å; L44-G48 PolarHBondContact O-N 3.1Å; L44-V49 HydrophobicContact CD2-CB 4.45Å; L44-V49 PolarHBondContact O-N 3.44Å; L44-V49 VanDerWaalsContact O-N 3.09Å; L44-D50 WeakPolarHBondContact CD1-O 3.5Å; L44-T51 HydrophobicContact CB-CG2 3.91Å; L44-C54 WeakPolarHBondContact CD1-SG 3.3Å
45D94.4Very high94.3Very high99 Ų9957.4 Ų57.453%0.52933%0.331SS..Hα-helixtrans-59-45.1172.7-72.2-28.3000111Q41 K47 G48 T51Q41-D45 VanDerWaalsContact O-CB 3.29Å; Q41-D45 WeakPolarHBondContact O-CB 3.48Å; Q41-D45 PolarHBondContact O-N 3.46Å; D45-K47 PolarHBondContact O-N 2.96Å; D45-G48 PolarHBondContact O-N 3.26Å; D45-T51 WeakPolarHBondContact OD1-CG2 3.07Å
46A94.4Very high94.2Very high89 Ų8960.5 Ų60.574%0.73634%0.342SS*.Hα-helixtrans-62.6-23.9176.600000113.3K42 L44K42-A46 VanDerWaalsContact O-CB 3.23Å; K42-A46 WeakPolarHBondContact O-CB 3.38Å; K42-A46 PolarHBondContact O-N 2.87Å; K42-A46 VanDerWaalsContact O-N 3.13Å; L44-A46 VanDerWaalsContact C-N 3.33Å; L44-A46 PolarHBondContact O-N 3.49Å
47K94.3Very high94.1Very high147 Ų14762.4 Ų62.464%0.63935%0.348SS*.Hα-helixtrans-94.5-7176.5-67.9173.6-174.6-179.20113S43 L44 D45 V49S43-K47 WeakPolarHBondContact O-CD 3.29Å; S43-K47 VanDerWaalsContact O-CG 3.29Å; S43-K47 WeakPolarHBondContact O-CG 3.41Å; S43-K47 PolarHBondContact O-N 3.2Å; L44-K47 CarbonylContact O-C 3.32Å; L44-K47 WeakPolarHBondContact O-CA 3.28Å; L44-K47 PolarHBondContact O-N 3.4Å; D45-K47 PolarHBondContact O-N 2.96Å; K47-V49 VanDerWaalsContact C-N 3.26Å; K47-V49 HydrophobicContact CB-CG2 3.92Å; K47-V49 PolarHBondContact O-N 3.05Å
48G92.4Very high94.1Very high73 Ų7364.4 Ų64.475%0.75336%0.357SS*.THydrogen-bonded Turntrans63.229.4-173.900000113.7L44 D45L44-G48 PolarHBondContact O-N 3.1Å; D45-G48 PolarHBondContact O-N 3.26Å
49V92.9Very high94Very high83 Ų8368.5 Ų68.550%0.50337%0.372SS..  trans-104.7152.1-179.6-178.20000109.8L44 K47 T51L44-V49 HydrophobicContact CD2-CB 4.45Å; L44-V49 PolarHBondContact O-N 3.44Å; L44-V49 VanDerWaalsContact O-N 3.09Å; K47-V49 VanDerWaalsContact C-N 3.26Å; K47-V49 HydrophobicContact CB-CG2 3.92Å; K47-V49 PolarHBondContact O-N 3.05Å; V49-T51 PolarHBondContact O-N 3.22Å
50D89.7Confident94Very high111 Ų11164.8 Ų64.859%0.59436%0.359SS*.  trans-50.6128.3176.7179.322.5000112.6L44 A52 P53L44-D50 WeakPolarHBondContact CD1-O 3.5Å; D50-A52 WeakPolarHBondContact OD1-CB 3.45Å; D50-A52 PolarHBondContact OD1-N 3.39Å; D50-A52 VanDerWaalsContact OD2-CB 3.3Å; D50-A52 WeakPolarHBondContact OD2-CB 3.03Å; D50-P53 VanDerWaalsContact O-CD 3.28Å; D50-P53 WeakPolarHBondContact O-CD 3.41Å
51T91.3Very high94.1Very high34 Ų3464 Ų6421%0.20935%0.352CS..  trans-92-1.3-177.870.10000114Q41 L44 D45 V49 P53 C54Q41-T51 VanDerWaalsContact NE2-CB 3.27Å; Q41-T51 PolarHBondContact NE2-OG1 3.5Å; L44-T51 HydrophobicContact CB-CG2 3.91Å; D45-T51 WeakPolarHBondContact OD1-CG2 3.07Å; V49-T51 PolarHBondContact O-N 3.22Å; T51-P53 VanDerWaalsContact O-N 3.12Å; T51-C54 VanDerWaalsContact O-CB 3.27Å; T51-C54 WeakPolarHBondContact O-CB 3.44Å; T51-C54 PolarHBondContact O-N 3.34Å; T51-C54 PolarHBondContact O-SG 2.94Å
52A89.1Confident94.1Very high33 Ų3368.6 Ų68.627%0.27337%0.371SS..G310 helixtrans-49.3-34.9174.900000114.6D50 C54 D55D50-A52 WeakPolarHBondContact OD1-CB 3.45Å; D50-A52 PolarHBondContact OD1-N 3.39Å; D50-A52 VanDerWaalsContact OD2-CB 3.3Å; D50-A52 WeakPolarHBondContact OD2-CB 3.03Å; A52-C54 PolarHBondContact O-N 3.05Å; A52-D55 WeakPolarHBondContact O-CB 3.25Å; A52-D55 PolarHBondContact O-N 3.44Å; A52-D55 VanDerWaalsContact O-N 3.09Å
53P88.9Confident94.2Very high49 Ų4965.5 Ų65.532%0.31837%0.365SS..G310 helixtrans-60.4-26175.4-25.736.5000114.3I5 D50 T51 D55I5-P53 HydrophobicContact CD1-CB 4.15Å; D50-P53 VanDerWaalsContact O-CD 3.28Å; D50-P53 WeakPolarHBondContact O-CD 3.41Å; T51-P53 VanDerWaalsContact O-N 3.12Å; P53-D55 VanDerWaalsContact C-N 3.27Å; P53-D55 PolarHBondContact O-N 2.81Å
54C94.4Very high94.3Very high0 Ų065.6 Ų65.60%036%0.361CS..G310 helixtrans-73.1-19.3178.7-52.20000112.8Y37 C40 Q41 L44 T51 A52 W56 Y57 K58Y37-C54 HydrophobicContact CD2-CB 4.13Å; Y37-C54 WeakPolarHBondContact CD2-O 3.45Å; Y37-C54 HydrophobicContact CE2-CB 4.37Å; C40-C54 HydrophobicContact CB-CB 3.76Å; C40-C54 WeakPolarHBondContact CB-SG 3.43Å; C40-C54 WeakPolarHBondContact SG-CA 3.5Å; C40-C54 WeakPolarHBondContact SG-CB 3.23Å; C40-C54 CovalentContact SG-SG 2.03Å; C40-C54 PolarHBondContact SG-SG 2.88Å; Q41-C54 HydrophobicContact CG-CB 4.21Å; Q41-C54 PolarHBondContact N-SG 3.28Å; Q41-C54 VanDerWaalsContact N-SG 3.42Å; L44-C54 WeakPolarHBondContact CD1-SG 3.3Å; T51-C54 VanDerWaalsContact O-CB 3.27Å; T51-C54 WeakPolarHBondContact O-CB 3.44Å; T51-C54 PolarHBondContact O-N 3.34Å; T51-C54 PolarHBondContact O-SG 2.94Å; A52-C54 PolarHBondContact O-N 3.05Å; C54-W56 PolarHBondContact O-N 3.2Å; C54-W56 VanDerWaalsContact O-N 3.1Å; C54-Y57 PolarHBondContact O-N 2.86Å; C54-K58 PolarHBondContact O-N 3.46Å
55D94.1Very high94.5Very high55 Ų5564.7 Ų64.729%0.29436%0.357SS..Hα-helixtrans-62.6-20.4-177.5-79.4-27.4000113.1L9 A52 P53 K58 R59L9-D55 HydrophobicContact CD1-CB 4.21Å; L9-D55 HydrophobicContact CD2-CB 4.22Å; A52-D55 WeakPolarHBondContact O-CB 3.25Å; A52-D55 PolarHBondContact O-N 3.44Å; A52-D55 VanDerWaalsContact O-N 3.09Å; P53-D55 VanDerWaalsContact C-N 3.27Å; P53-D55 PolarHBondContact O-N 2.81Å; D55-K58 WeakPolarHBondContact O-CB 3.45Å; D55-K58 PolarHBondContact O-N 3.11Å; D55-R59 WeakPolarHBondContact O-CG 3.12Å; D55-R59 PolarHBondContact O-N 3.08Å
56W94.6Very high94.7Very high70 Ų7062.7 Ų62.727%0.26535%0.35SS..Hα-helixtrans-57.3-52.5171175.8-99.7000111.2K8 L9 Y12 P16 C54 K58 R59 V60K8-W56 HydrophobicContact CB-CE3 4.5Å; K8-W56 HydrophobicContact CB-CZ3 4.2Å; L9-W56 HydrophobicContact CD2-CB 4.28Å; L9-W56 HydrophobicContact CD2-CE3 4.34Å; Y12-W56 HydrophobicContact CD2-CE3 4.18Å; Y12-W56 HydrophobicContact CD2-CH2 4.01Å; Y12-W56 AromaticContact CD2-CZ3 3.58Å; Y12-W56 HydrophobicContact CD2-CZ3 3.58Å; Y12-W56 HydrophobicContact CE2-CH2 4.15Å; Y12-W56 HydrophobicContact CE2-CZ3 4.08Å; P16-W56 HydrophobicContact CG-CH2 4Å; P16-W56 HydrophobicContact CG-CZ2 3.79Å; C54-W56 PolarHBondContact O-N 3.2Å; C54-W56 VanDerWaalsContact O-N 3.1Å; W56-K58 PolarHBondContact O-N 3.33Å; W56-R59 PolarHBondContact O-N 3.46Å; W56-V60 HydrophobicContact CD2-CG2 4.4Å; W56-V60 HydrophobicContact CZ2-CG2 4.12Å; W56-V60 WeakPolarHBondContact O-CG2 2.98Å; W56-V60 PolarHBondContact O-N 3.22Å
57Y96.5Very high94.8Very high73 Ų7365.2 Ų65.229%0.28635%0.349SS..Hα-helixtrans-61.3-37.7178.4-59.1-62.7000111.3D36 C40 C54 R59 V60 Y61D36-Y57 HydrophobicContact CB-CD1 3.85Å; D36-Y57 HydrophobicContact CB-CD2 4.35Å; D36-Y57 HydrophobicContact CB-CE1 4Å; D36-Y57 HydrophobicContact CB-CE2 4.49Å; D36-Y57 HydrophobicContact CB-CG 4.04Å; C40-Y57 HydrophobicContact CB-CD2 4.34Å; C40-Y57 HydrophobicContact CB-CE2 4.39Å; C54-Y57 PolarHBondContact O-N 2.86Å; Y57-R59 PolarHBondContact O-N 3.46Å; Y57-V60 PolarHBondContact O-N 3.3Å; Y57-Y61 WeakPolarHBondContact O-CD1 3.31Å; Y57-Y61 PolarHBondContact O-N 3.23Å
58K96.6Very high95Very high68 Ų6862.2 Ų62.230%0.29635%0.347SS..Hα-helixtrans-57.5-48.5175.6-167.2177.4-175.7169.10112.7Y37 C54 D55 W56 Y61 K62Y37-K58 HydrophobicContact CD2-CB 3.72Å; Y37-K58 HydrophobicContact CD2-CG 4.41Å; Y37-K58 HydrophobicContact CE2-CB 3.69Å; Y37-K58 HydrophobicContact CE2-CD 3.81Å; Y37-K58 HydrophobicContact CE2-CG 4.04Å; Y37-K58 HydrophobicContact CG-CB 4.37Å; C54-K58 PolarHBondContact O-N 3.46Å; D55-K58 WeakPolarHBondContact O-CB 3.45Å; D55-K58 PolarHBondContact O-N 3.11Å; W56-K58 PolarHBondContact O-N 3.33Å; K58-Y61 VanDerWaalsContact CA-CE1 3.4Å; K58-Y61 HydrophobicContact CB-CE1 4.15Å; K58-Y61 HydrophobicContact CG-CE1 4.12Å; K58-K62 VanDerWaalsContact O-CB 3.31Å; K58-K62 WeakPolarHBondContact O-CB 3.4Å; K58-K62 VanDerWaalsContact O-CG 3.3Å; K58-K62 WeakPolarHBondContact O-CG 3.36Å; K58-K62 PolarHBondContact O-N 3.06Å; K58-K62 VanDerWaalsContact O-N 3.16Å
59R96.3Very high95.3Very high102 Ų10263.5 Ų63.539%0.38533%0.329SS..Hα-helixtrans-65.1-41.1178-69.1-174.2-177.3-1417.7111.5L9 Y12 D55 W56 Y57 S63L9-R59 VanDerWaalsContact O-CZ 3.25Å; L9-R59 PolarHBondContact O-NH1 3.26Å; L9-R59 PolarHBondContact O-NH2 2.99Å; Y12-R59 HydrophobicContact CD1-CB 4.08Å; Y12-R59 HydrophobicContact CD1-CG 4.44Å; Y12-R59 HydrophobicContact CD2-CB 4.34Å; Y12-R59 HydrophobicContact CE1-CB 3.73Å; Y12-R59 HydrophobicContact CE1-CG 4.5Å; Y12-R59 HydrophobicContact CE2-CB 4.01Å; Y12-R59 HydrophobicContact CG-CB 4.36Å; Y12-R59 PolarHBondContact OH-O 3.04Å; Y12-R59 VanDerWaalsContact OH-O 3.09Å; D55-R59 WeakPolarHBondContact O-CG 3.12Å; D55-R59 PolarHBondContact O-N 3.08Å; W56-R59 PolarHBondContact O-N 3.46Å; Y57-R59 PolarHBondContact O-N 3.46Å; R59-S63 WeakPolarHBondContact O-CB 3.47Å; R59-S63 PolarHBondContact O-N 3.36Å; R59-S63 VanDerWaalsContact O-N 3.12Å; R59-S63 PolarHBondContact O-OG 3.27Å
60V97.2Very high95.5Very high8 Ų860.5 Ų60.55%0.04831%0.31CS..Hα-helixtrans-65.3-53.9-179.8175.70000112Y12 A15 N33 W56 Y57 K62 S63 L64Y12-V60 HydrophobicContact CE2-CG2 4.2Å; A15-V60 HydrophobicContact CB-CG1 4.1Å; N33-V60 HydrophobicContact CB-CB 4.44Å; N33-V60 HydrophobicContact CB-CG1 4.05Å; N33-V60 VanDerWaalsContact CG-CG1 3.4Å; N33-V60 WeakPolarHBondContact OD1-CG1 3.43Å; W56-V60 HydrophobicContact CD2-CG2 4.4Å; W56-V60 HydrophobicContact CZ2-CG2 4.12Å; W56-V60 WeakPolarHBondContact O-CG2 2.98Å; W56-V60 PolarHBondContact O-N 3.22Å; Y57-V60 PolarHBondContact O-N 3.3Å; V60-K62 VanDerWaalsContact C-N 3.3Å; V60-K62 PolarHBondContact O-N 3.12Å; V60-S63 PolarHBondContact O-N 3.16Å; V60-L64 HydrophobicContact CG1-CD1 3.73Å; V60-L64 HydrophobicContact CG1-CG 4.41Å; V60-L64 WeakPolarHBondContact O-CG 3.03Å; V60-L64 PolarHBondContact O-N 2.02Å; V60-L64 VanDerWaalsContact O-N 3.08Å
61Y97.6Very high95.9Very high10 Ų1060.1 Ų60.14%0.03930%0.304CS..Hα-helixtrans-66.2-34.3-178.281.7-111.1000111.5Y34 Y37 Y57 K58 S63 L64 C65 I70Y34-Y61 HydrophobicContact CD2-CD2 4.01Å; Y34-Y61 HydrophobicContact CD2-CE1 4.5Å; Y34-Y61 AromaticContact CD2-CE2 3.99Å; Y34-Y61 HydrophobicContact CD2-CE2 3.99Å; Y34-Y61 HydrophobicContact CD2-CG 4.35Å; Y37-Y61 AromaticContact CD1-CE1 3.64Å; Y37-Y61 HydrophobicContact CD1-CE1 3.64Å; Y37-Y61 HydrophobicContact CD2-CE1 4.49Å; Y37-Y61 HydrophobicContact CE1-CE1 4.39Å; Y37-Y61 HydrophobicContact CG-CD1 4.45Å; Y37-Y61 AromaticContact CG-CE1 3.71Å; Y37-Y61 HydrophobicContact CG-CE1 3.71Å; Y57-Y61 WeakPolarHBondContact O-CD1 3.31Å; Y57-Y61 PolarHBondContact O-N 3.23Å; K58-Y61 VanDerWaalsContact CA-CE1 3.4Å; K58-Y61 HydrophobicContact CB-CE1 4.15Å; K58-Y61 HydrophobicContact CG-CE1 4.12Å; Y61-S63 PolarHBondContact O-N 3.33Å; Y61-L64 PolarHBondContact O-N 2.99Å; Y61-C65 WeakPolarHBondContact O-CB 3.43Å; Y61-C65 PolarHBondContact O-N 2.79Å; Y61-C65 PolarHBondContact O-SG 3.34Å; Y61-I70 HydrophobicContact CD2-CD1 3.88Å; Y61-I70 HydrophobicContact CD2-CG1 4.17Å; Y61-I70 HydrophobicContact CE2-CD1 3.97Å; Y61-I70 HydrophobicContact CE2-CG1 4.29Å; Y61-I70 HydrophobicContact CE2-CG2 4.13Å
62K97.3Very high96.3Very high129 Ų12964.3 Ų64.356%0.56132%0.32SS*.Hα-helixtrans-65.5-26.1174-76.8-168.5172.1-161.70113.6K58 V60 I70K58-K62 VanDerWaalsContact O-CB 3.31Å; K58-K62 WeakPolarHBondContact O-CB 3.4Å; K58-K62 VanDerWaalsContact O-CG 3.3Å; K58-K62 WeakPolarHBondContact O-CG 3.36Å; K58-K62 PolarHBondContact O-N 3.06Å; K58-K62 VanDerWaalsContact O-N 3.16Å; V60-K62 VanDerWaalsContact C-N 3.3Å; V60-K62 PolarHBondContact O-N 3.12Å; K62-I70 HydrophobicContact CG-CD1 4.49Å
63S97.1Very high96.7Very high58 Ų5864.3 Ų64.341%0.40631%0.313SS..Hα-helixtrans-84-28.1177.3-57.70000112.8Y12 R59 V60 Y61Y12-S63 PolarHBondContact OH-OG 2.84Å; R59-S63 WeakPolarHBondContact O-CB 3.47Å; R59-S63 PolarHBondContact O-N 3.36Å; R59-S63 VanDerWaalsContact O-N 3.12Å; R59-S63 PolarHBondContact O-OG 3.27Å; V60-S63 PolarHBondContact O-N 3.16Å; Y61-S63 PolarHBondContact O-N 3.33Å
64L97.1Very high97.1Very high57 Ų5763.5 Ų63.530%0.29831%0.306SS..Hα-helixtrans-98.8-36.7-175.2-65.9177.3000113.9A15 N29 C30 V60 Y61A15-L64 HydrophobicContact CB-CD1 4.2Å; A15-L64 HydrophobicContact CB-CD2 3.84Å; A15-L64 HydrophobicContact CB-CG 3.84Å; N29-L64 HydrophobicContact CB-CD1 4.17Å; N29-L64 VanDerWaalsContact CG-CD1 3.42Å; N29-L64 WeakPolarHBondContact ND2-CD1 3.1Å; N29-L64 WeakPolarHBondContact OD1-CD1 3.43Å; C30-L64 HydrophobicContact CB-CB 4.24Å; V60-L64 HydrophobicContact CG1-CD1 3.73Å; V60-L64 HydrophobicContact CG1-CG 4.41Å; V60-L64 WeakPolarHBondContact O-CG 3.03Å; V60-L64 PolarHBondContact O-N 2.02Å; V60-L64 VanDerWaalsContact O-N 3.08Å; Y61-L64 PolarHBondContact O-N 2.99Å
65C97.9Very high97.3Very high10 Ų1067.2 Ų67.27%0.06833%0.326CS..SBendtrans-85.2139.4-170.3-62.90000111.9C30 Y61 I67 I70C30-C65 VanDerWaalsContact C-SG 3.57Å; C30-C65 WeakPolarHBondContact CA-SG 3.36Å; C30-C65 HydrophobicContact CB-CB 4.14Å; C30-C65 WeakPolarHBondContact CB-SG 3.35Å; C30-C65 PolarHBondContact O-SG 3.48Å; C30-C65 WeakPolarHBondContact SG-CA 3.43Å; C30-C65 WeakPolarHBondContact SG-CB 3.38Å; C30-C65 CovalentContact SG-SG 2.02Å; C30-C65 PolarHBondContact SG-SG 3.36Å; Y61-C65 WeakPolarHBondContact O-CB 3.43Å; Y61-C65 PolarHBondContact O-N 2.79Å; Y61-C65 PolarHBondContact O-SG 3.34Å; C65-I67 PolarHBondContact O-N 2.89Å; C65-I70 HydrophobicContact CB-CD1 3.86Å; C65-I70 HydrophobicContact CB-CG1 3.7Å
66P98.3Very high97.5Very high58 Ų5866.9 Ų66.938%0.37732%0.322SS..  trans-57136.9164.5-22.333.4000110.9S68 W69 I70P66-S68 PolarHBondContact O-N 3.11Å; P66-W69 HydrophobicContact CB-CB 4.47Å; P66-W69 HydrophobicContact CB-CD2 4.44Å; P66-W69 HydrophobicContact CB-CG 4.13Å; P66-W69 HydrophobicContact CG-CD2 3.96Å; P66-W69 HydrophobicContact CG-CE3 4.26Å; P66-W69 HydrophobicContact CG-CG 4.17Å; P66-W69 WeakPolarHBondContact O-CB 3.26Å; P66-W69 PolarHBondContact O-N 3.05Å; P66-I70 PolarHBondContact O-N 3.09Å
67I97.7Very high97.6Very high142 Ų14267.2 Ų67.273%0.72832%0.324SS*.Hα-helixtrans-57-38.7-179.7-61.7174.2000111.2C65 W69 I70 Q71C65-I67 PolarHBondContact O-N 2.89Å; I67-W69 VanDerWaalsContact C-N 3.25Å; I67-W69 PolarHBondContact O-N 3.03Å; I67-I70 PolarHBondContact O-N 3.26Å; I67-Q71 PolarHBondContact O-N 3.4Å
68S98.1Very high97.6Very high83 Ų8371.8 Ų71.858%0.5835%0.348SS*.Hα-helixtrans-62-30.717857.20000113.5P66 K72P66-S68 PolarHBondContact O-N 3.11Å; S68-K72 VanDerWaalsContact O-CB 3.3Å; S68-K72 WeakPolarHBondContact O-CB 3.42Å; S68-K72 PolarHBondContact O-N 2.82Å
69W98.1Very high97.7Very high101 Ų10171.9 Ų71.938%0.38336%0.361SS..Hα-helixtrans-73.9-45175.7-70.912.5000111T27 P66 I67 K72 W73T27-W69 HydrophobicContact CG2-CH2 3.85Å; T27-W69 HydrophobicContact CG2-CZ3 3.85Å; P66-W69 HydrophobicContact CB-CB 4.47Å; P66-W69 HydrophobicContact CB-CD2 4.44Å; P66-W69 HydrophobicContact CB-CG 4.13Å; P66-W69 HydrophobicContact CG-CD2 3.96Å; P66-W69 HydrophobicContact CG-CE3 4.26Å; P66-W69 HydrophobicContact CG-CG 4.17Å; P66-W69 WeakPolarHBondContact O-CB 3.26Å; P66-W69 PolarHBondContact O-N 3.05Å; I67-W69 VanDerWaalsContact C-N 3.25Å; I67-W69 PolarHBondContact O-N 3.03Å; W69-K72 PolarHBondContact O-N 3.2Å; W69-W73 HydrophobicContact CB-CD2 4.45Å; W69-W73 HydrophobicContact CB-CE3 4.37Å; W69-W73 HydrophobicContact CB-CH2 3.98Å; W69-W73 HydrophobicContact CB-CZ2 4.03Å; W69-W73 HydrophobicContact CB-CZ3 4.14Å; W69-W73 HydrophobicContact CD2-CH2 4.34Å; W69-W73 HydrophobicContact CD2-CZ2 4.28Å; W69-W73 AromaticContact CE3-CH2 3.63Å; W69-W73 HydrophobicContact CE3-CH2 3.63Å; W69-W73 AromaticContact CE3-CZ2 3.86Å; W69-W73 HydrophobicContact CE3-CZ2 3.86Å; W69-W73 HydrophobicContact CG-CZ2 4.42Å; W69-W73 HydrophobicContact CZ3-CH2 4.46Å; W69-W73 WeakPolarHBondContact O-CB 3.44Å; W69-W73 PolarHBondContact O-N 2.82Å
70I98.1Very high97.7Very high19 Ų1970.3 Ų70.310%0.09738%0.376CS..Hα-helixtrans-57.4-53.1176.9-60.4171.4000109.6Y34 Y61 K62 C65 P66 I67 K72 W73 D74Y34-I70 HydrophobicContact CE2-CG2 4.34Å; Y61-I70 HydrophobicContact CD2-CD1 3.88Å; Y61-I70 HydrophobicContact CD2-CG1 4.17Å; Y61-I70 HydrophobicContact CE2-CD1 3.97Å; Y61-I70 HydrophobicContact CE2-CG1 4.29Å; Y61-I70 HydrophobicContact CE2-CG2 4.13Å; K62-I70 HydrophobicContact CG-CD1 4.49Å; C65-I70 HydrophobicContact CB-CD1 3.86Å; C65-I70 HydrophobicContact CB-CG1 3.7Å; P66-I70 PolarHBondContact O-N 3.09Å; I67-I70 PolarHBondContact O-N 3.26Å; I70-K72 VanDerWaalsContact C-N 3.34Å; I70-K72 PolarHBondContact O-N 2.69Å; I70-W73 PolarHBondContact O-N 3.09Å; I70-W73 VanDerWaalsContact O-N 3.12Å; I70-D74 WeakPolarHBondContact CG2-OD2 3.49Å; I70-D74 WeakPolarHBondContact O-CB 3.11Å; I70-D74 PolarHBondContact O-N 3.36Å
71Q98.2Very high97.7Very high103 Ų10374.5 Ų74.548%0.48140%0.402SS..Hα-helixtrans-57.1-48-179.6-17364.150.700111.5I67 W73 D74 D75I67-Q71 PolarHBondContact O-N 3.4Å; Q71-W73 VanDerWaalsContact C-N 3.31Å; Q71-W73 PolarHBondContact O-N 3.4Å; Q71-D74 PolarHBondContact O-N 3.06Å; Q71-D74 VanDerWaalsContact O-N 3.17Å; Q71-D75 PolarHBondContact NE2-OD1 3.5Å; Q71-D75 PolarHBondContact O-N 2.98Å
72K98.2Very high97.7Very high122 Ų12275.2 Ų75.253%0.5341%0.406SS..Hα-helixtrans-59.3-42.5178.1-179179-179.6178.30112.1S68 W69 I70 Q76S68-K72 VanDerWaalsContact O-CB 3.3Å; S68-K72 WeakPolarHBondContact O-CB 3.42Å; S68-K72 PolarHBondContact O-N 2.82Å; W69-K72 PolarHBondContact O-N 3.2Å; I70-K72 VanDerWaalsContact C-N 3.34Å; I70-K72 PolarHBondContact O-N 2.69Å; K72-Q76 WeakPolarHBondContact O-CB 3.48Å; K72-Q76 WeakPolarHBondContact O-CG 3.38Å; K72-Q76 PolarHBondContact O-N 3.3Å
73W98.4Very high97.6Very high33 Ų3374.3 Ų74.313%0.12541%0.413CS..Hα-helixtrans-71.2-33.9178.5-62.7-30.7000112.1F31 Y34 W69 I70 Q71 Q76 R77 F82F31-W73 HydrophobicContact CB-CH2 4.35Å; F31-W73 AromaticContact CD2-CH2 3.92Å; F31-W73 HydrophobicContact CD2-CH2 3.92Å; F31-W73 AromaticContact CD2-CZ2 3.84Å; F31-W73 HydrophobicContact CD2-CZ2 3.84Å; F31-W73 HydrophobicContact CD2-CZ3 4.39Å; F31-W73 HydrophobicContact CE2-CZ2 4.49Å; Y34-W73 HydrophobicContact CD1-CD2 4.47Å; Y34-W73 AromaticContact CD1-CE3 3.88Å; Y34-W73 HydrophobicContact CD1-CE3 3.88Å; Y34-W73 HydrophobicContact CD1-CZ3 4.49Å; Y34-W73 HydrophobicContact CD2-CE3 4.04Å; Y34-W73 HydrophobicContact CE1-CB 3.65Å; Y34-W73 HydrophobicContact CE1-CD2 4.39Å; Y34-W73 HydrophobicContact CE1-CE3 4.1Å; Y34-W73 HydrophobicContact CE1-CG 4.27Å; Y34-W73 HydrophobicContact CE2-CB 4.29Å; Y34-W73 HydrophobicContact CE2-CE3 4.25Å; Y34-W73 AromaticContact CG-CE3 3.83Å; Y34-W73 HydrophobicContact CG-CE3 3.83Å; Y34-W73 HydrophobicContact CG-CZ3 4.2Å; Y34-W73 VanDerWaalsContact CZ-CB 3.49Å; Y34-W73 WeakPolarHBondContact OH-CB 3.38Å; Y34-W73 PolarHBondContact OH-O 2.87Å; W69-W73 HydrophobicContact CB-CD2 4.45Å; W69-W73 HydrophobicContact CB-CE3 4.37Å; W69-W73 HydrophobicContact CB-CH2 3.98Å; W69-W73 HydrophobicContact CB-CZ2 4.03Å; W69-W73 HydrophobicContact CB-CZ3 4.14Å; W69-W73 HydrophobicContact CD2-CH2 4.34Å; W69-W73 HydrophobicContact CD2-CZ2 4.28Å; W69-W73 AromaticContact CE3-CH2 3.63Å; W69-W73 HydrophobicContact CE3-CH2 3.63Å; W69-W73 AromaticContact CE3-CZ2 3.86Å; W69-W73 HydrophobicContact CE3-CZ2 3.86Å; W69-W73 HydrophobicContact CG-CZ2 4.42Å; W69-W73 HydrophobicContact CZ3-CH2 4.46Å; W69-W73 WeakPolarHBondContact O-CB 3.44Å; W69-W73 PolarHBondContact O-N 2.82Å; I70-W73 PolarHBondContact O-N 3.09Å; I70-W73 VanDerWaalsContact O-N 3.12Å; Q71-W73 VanDerWaalsContact C-N 3.31Å; Q71-W73 PolarHBondContact O-N 3.4Å; W73-Q76 PolarHBondContact O-N 3.1Å; W73-R77 VanDerWaalsContact O-CG 3.29Å; W73-R77 WeakPolarHBondContact O-CG 3.41Å; W73-R77 PolarHBondContact O-N 3.08Å; W73-F82 HydrophobicContact CB-CD2 4.19Å; W73-F82 HydrophobicContact CB-CE2 3.78Å; W73-F82 AromaticContact CD1-CE2 3.8Å; W73-F82 HydrophobicContact CG-CD2 4.48Å; W73-F82 AromaticContact CG-CE2 3.8Å; W73-F82 HydrophobicContact CG-CE2 3.8Å
74D97.8Very high97.5Very high32 Ų3272.3 Ų72.317%0.17140%0.401CS..Hα-helixtrans-63.4-50.4174.2-74-26.3000109.9Y34 I70 Q71 Q76 R77 E78Y34-D74 PolarHBondContact OH-N 2.81Å; Y34-D74 PolarHBondContact OH-OD1 3.14Å; I70-D74 WeakPolarHBondContact CG2-OD2 3.49Å; I70-D74 WeakPolarHBondContact O-CB 3.11Å; I70-D74 PolarHBondContact O-N 3.36Å; Q71-D74 PolarHBondContact O-N 3.06Å; Q71-D74 VanDerWaalsContact O-N 3.17Å; D74-Q76 VanDerWaalsContact C-N 3.3Å; D74-Q76 PolarHBondContact O-N 3.44Å; D74-R77 WeakPolarHBondContact O-CB 3.26Å; D74-R77 PolarHBondContact O-N 3.5Å; D74-R77 IonicContact OD1-CZ 3.55Å; D74-R77 IonicContact OD1-NE 2.69Å; D74-R77 IonicContact OD1-NH2 3.58Å; D74-R77 PolarHBondContact OD1-NH2 3.15Å; D74-E78 PolarHBondContact O-N 2.95Å
75D98.3Very high97.3Very high79 Ų7978.2 Ų78.242%0.42242%0.424SS..Hα-helixtrans-56.9-43.3176.2-59.2-18.2000111.4Q71 R77 E78 A79Q71-D75 PolarHBondContact NE2-OD1 3.5Å; Q71-D75 PolarHBondContact O-N 2.98Å; D75-R77 VanDerWaalsContact C-N 3.34Å; D75-R77 PolarHBondContact O-N 2.82Å; D75-E78 PolarHBondContact O-N 2.97Å; D75-A79 VanDerWaalsContact O-CB 3.27Å; D75-A79 WeakPolarHBondContact O-CB 3.36Å; D75-A79 PolarHBondContact O-N 2.86Å
76Q98.1Very high97.1Very high47 Ų4780.5 Ų80.522%0.2244%0.436CS..Hα-helixtrans-64.8-35.7176.8-76.5176.9-11.400112.7K72 W73 D74 G80 T81 F82K72-Q76 WeakPolarHBondContact O-CB 3.48Å; K72-Q76 WeakPolarHBondContact O-CG 3.38Å; K72-Q76 PolarHBondContact O-N 3.3Å; W73-Q76 PolarHBondContact O-N 3.1Å; D74-Q76 VanDerWaalsContact C-N 3.3Å; D74-Q76 PolarHBondContact O-N 3.44Å; Q76-G80 PolarHBondContact O-N 3.11Å; Q76-G80 VanDerWaalsContact O-N 3.13Å; Q76-T81 PolarHBondContact O-N 2.95Å; Q76-T81 PolarHBondContact O-OG1 3.12Å; Q76-F82 HydrophobicContact CB-CB 3.99Å; Q76-F82 HydrophobicContact CB-CD2 4.18Å; Q76-F82 PolarHBondContact O-N 2.79Å
77R97.4Very high97.1Very high78 Ų7881.7 Ų81.729%0.29444%0.439SS..Hα-helixtrans-70.1-43.6177.4-75.9-172.4-49.1116.92.7110.8Y34 H38 W73 D74 D75 A79 G80 F82 I86Y34-R77 WeakPolarHBondContact OH-CD 3.42Å; Y34-R77 PolarHBondContact OH-NE 3.13Å; H38-R77 PolarHBondContact CE1-NH1 2.8Å; H38-R77 PolarHBondContact CE1-NH2 3.06Å; H38-R77 PolarHBondContact ND1-NH1 3.38Å; H38-R77 PolarHBondContact NE2-NE 2.81Å; H38-R77 PolarHBondContact NE2-NH2 3.28Å; W73-R77 VanDerWaalsContact O-CG 3.29Å; W73-R77 WeakPolarHBondContact O-CG 3.41Å; W73-R77 PolarHBondContact O-N 3.08Å; D74-R77 WeakPolarHBondContact O-CB 3.26Å; D74-R77 PolarHBondContact O-N 3.5Å; D74-R77 IonicContact OD1-CZ 3.55Å; D74-R77 IonicContact OD1-NE 2.69Å; D74-R77 IonicContact OD1-NH2 3.58Å; D74-R77 PolarHBondContact OD1-NH2 3.15Å; D75-R77 VanDerWaalsContact C-N 3.34Å; D75-R77 PolarHBondContact O-N 2.82Å; R77-A79 VanDerWaalsContact C-N 3.31Å; R77-A79 PolarHBondContact O-N 3.12Å; R77-G80 PolarHBondContact O-N 2.69Å; R77-G80 VanDerWaalsContact O-N 3.1Å; R77-F82 HydrophobicContact CB-CB 4.38Å; R77-F82 HydrophobicContact CG-CB 3.63Å; R77-F82 HydrophobicContact CG-CD1 3.83Å; R77-F82 HydrophobicContact CG-CD2 4.11Å; R77-F82 HydrophobicContact CG-CG 3.59Å; R77-I86 HydrophobicContact CG-CD1 3.92Å
78E96.7Very high97Very high169 Ų16978.5 Ų78.579%0.7942%0.423SS*.Hα-helixtrans-62.1-40.1175.5-69.2-178.5-175.300111.6D74 D75 G80D74-E78 PolarHBondContact O-N 2.95Å; D75-E78 PolarHBondContact O-N 2.97Å; E78-G80 PolarHBondContact O-N 2.91Å
79A97.7Very high97Very high69 Ų6978.2 Ų78.257%0.5742%0.415SS*.THydrogen-bonded Turntrans-75.3-517500000114.3D75 R77 T81D75-A79 VanDerWaalsContact O-CB 3.27Å; D75-A79 WeakPolarHBondContact O-CB 3.36Å; D75-A79 PolarHBondContact O-N 2.86Å; R77-A79 VanDerWaalsContact C-N 3.31Å; R77-A79 PolarHBondContact O-N 3.12Å; A79-T81 HydrophobicContact CB-CG2 4.43Å; A79-T81 PolarHBondContact O-N 3.17Å
80G96.8Very high96.9Very high69 Ų6976.9 Ų76.971%0.71142%0.416SS*.THydrogen-bonded Turntrans67.316.7-176.500000114.9Q76 R77 E78Q76-G80 PolarHBondContact O-N 3.11Å; Q76-G80 VanDerWaalsContact O-N 3.13Å; R77-G80 PolarHBondContact O-N 2.69Å; R77-G80 VanDerWaalsContact O-N 3.1Å; E78-G80 PolarHBondContact O-N 2.91Å
81T97.7Very high96.9Very high96 Ų9680.5 Ų80.559%0.58944%0.436SS*.  trans-1064.5-177.858.70000113.4Q76 A79Q76-T81 PolarHBondContact O-N 2.95Å; Q76-T81 PolarHBondContact O-OG1 3.12Å; A79-T81 HydrophobicContact CB-CG2 4.43Å; A79-T81 PolarHBondContact O-N 3.17Å
82F97.6Very high96.8Very high26 Ų2679 Ų7911%0.11443%0.433CS..  trans-65.6126.1179.7-176.8-110.4000111.7F31 Y34 L35 W73 Q76 R77 G84 I86F31-F82 HydrophobicContact CE2-CE2 4.32Å; F31-F82 AromaticContact CE2-CZ 3.88Å; F31-F82 HydrophobicContact CE2-CZ 3.88Å; F31-F82 HydrophobicContact CZ-CZ 4.31Å; Y34-F82 HydrophobicContact CD1-CZ 4.19Å; Y34-F82 HydrophobicContact CE1-CE1 4.46Å; Y34-F82 HydrophobicContact CE1-CE2 4.03Å; Y34-F82 AromaticContact CE1-CZ 3.77Å; Y34-F82 HydrophobicContact CE1-CZ 3.77Å; L35-F82 HydrophobicContact CD2-CE1 3.54Å; L35-F82 HydrophobicContact CD2-CZ 3.76Å; W73-F82 HydrophobicContact CB-CD2 4.19Å; W73-F82 HydrophobicContact CB-CE2 3.78Å; W73-F82 AromaticContact CD1-CE2 3.8Å; W73-F82 HydrophobicContact CG-CD2 4.48Å; W73-F82 AromaticContact CG-CE2 3.8Å; W73-F82 HydrophobicContact CG-CE2 3.8Å; Q76-F82 HydrophobicContact CB-CB 3.99Å; Q76-F82 HydrophobicContact CB-CD2 4.18Å; Q76-F82 PolarHBondContact O-N 2.79Å; R77-F82 HydrophobicContact CB-CB 4.38Å; R77-F82 HydrophobicContact CG-CB 3.63Å; R77-F82 HydrophobicContact CG-CD1 3.83Å; R77-F82 HydrophobicContact CG-CD2 4.11Å; R77-F82 HydrophobicContact CG-CG 3.59Å; F82-G84 VanDerWaalsContact C-N 3.32Å; F82-G84 VanDerWaalsContact CD1-O 3.28Å; F82-G84 WeakPolarHBondContact CD1-O 3.26Å; F82-G84 WeakPolarHBondContact CE1-O 3.22Å; F82-G84 PolarHBondContact O-N 2.77Å; F82-I86 HydrophobicContact CD1-CD1 3.71Å; F82-I86 HydrophobicContact CD1-CG1 4.26Å; F82-I86 HydrophobicContact CE1-CD1 3.67Å; F82-I86 HydrophobicContact CE1-CG1 4.01Å
83P94.5Very high96.7Very high110 Ų11075.9 Ų75.971%0.71443%0.427SS*.  trans-78.7-14.1-173.730.7-36.7000113.9
84G94.3Very high96.5Very high16 Ų1679.2 Ų79.217%0.16545%0.45CS..SBendtrans-81.1137.4-178.700000112.4F82 I86F82-G84 VanDerWaalsContact C-N 3.32Å; F82-G84 VanDerWaalsContact CD1-O 3.28Å; F82-G84 WeakPolarHBondContact CD1-O 3.26Å; F82-G84 WeakPolarHBondContact CE1-O 3.22Å; F82-G84 PolarHBondContact O-N 2.77Å; G84-I86 PolarHBondContact O-N 3.38Å
85K94.5Very high96.4Very high180 Ų18083.2 Ų83.278%0.78347%0.473SS*.  trans-73.8112.6175.5-172.5179.7-177.3179.40110.9R39R39-K85 VanDerWaalsContact CZ-O 3.28Å; R39-K85 PolarHBondContact NE-O 3.32Å; R39-K85 PolarHBondContact NH2-O 3.38Å
86I93.6Very high96.3Very high59 Ų5983.5 Ų83.530%0.30348%0.478SS..  trans-1080175.5-61.5173.9000110.4L35 H38 R39 K42 R77 F82 G84L35-I86 HydrophobicContact CD2-CG1 4.1Å; H38-I86 HydrophobicContact CB-CD1 3.95Å; H38-I86 HydrophobicContact CB-CG1 4.26Å; H38-I86 HydrophobicContact CB-CG2 3.64Å; R39-I86 WeakPolarHBondContact CG-OXT 3.47Å; K42-I86 HydrophobicContact CD-CG2 4.31Å; K42-I86 PolarHBondContact NZ-O 2.77Å; R77-I86 HydrophobicContact CG-CD1 3.92Å; F82-I86 HydrophobicContact CD1-CD1 3.71Å; F82-I86 HydrophobicContact CD1-CG1 4.26Å; F82-I86 HydrophobicContact CE1-CD1 3.67Å; F82-I86 HydrophobicContact CE1-CG1 4.01Å; G84-I86 PolarHBondContact O-N 3.38Å

Retrieved 86 of 86 residues in 235.9 ms (Link to these results)

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