A0A087XZZ3_POEFO 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 A0A087XZZ3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, 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
1M45Very low74.9Confident243 Ų243108.2 Ų108.2100%1.19756%0.563SS**  0124.90-70.4172.4-165.600107.1E3M1-E3 PolarHBondContact O-N 3Å
2A53.5Low76.2Confident102 Ų102102.3 Ų102.384%0.84353%0.528SS*.  trans-80.3111175.700000107.8
3E63.7Low77.4Confident106 Ų106113 Ų11350%0.49556%0.558SS.*  trans-59.8142.3172.9-60.7-176.3141.800110.2M1 K8M1-E3 PolarHBondContact O-N 3Å; E3-K8 HydrophobicContact CB-CG 3.96Å; E3-K8 WeakPolarHBondContact O-CE 3.21Å
4T78.4Confident78.6Confident74 Ų74111.6 Ų111.645%0.45456%0.559SS.*  trans-66.4152.5175.460.80000110.1D6 E7 K8T4-D6 PolarHBondContact O-N 2.94Å; T4-E7 PolarHBondContact N-OE2 3.32Å; T4-E7 PolarHBondContact O-N 2.95Å; T4-E7 WeakPolarHBondContact OG1-CG 3.28Å; T4-E7 PolarHBondContact OG1-OE2 3.07Å; T4-K8 PolarHBondContact O-N 3.4Å; T4-K8 VanDerWaalsContact O-N 3.15Å
5M77.1Confident79.7Confident88 Ų88105.4 Ų105.443%0.43353%0.532SS..Hα-helixtrans-58.5-34.7-178.4-71-60.7100.900112.2K8 I9M5-K8 HydrophobicContact CE-CD 3.69Å; M5-K8 PolarHBondContact O-N 3.45Å; M5-I9 VanDerWaalsContact O-CG1 3.29Å; M5-I9 WeakPolarHBondContact O-CG1 3.27Å; M5-I9 PolarHBondContact O-N 2.75Å
6D79.6Confident80.6Confident110 Ų110103.4 Ų103.459%0.58853%0.529SS*.Hα-helixtrans-67.4-40.7179.8-58.4-42.9000112.3T4 K8 I9 K10T4-D6 PolarHBondContact O-N 2.94Å; D6-K8 VanDerWaalsContact C-N 3.33Å; D6-K8 PolarHBondContact O-N 3.15Å; D6-I9 PolarHBondContact O-N 3.4Å; D6-K10 WeakPolarHBondContact O-CB 3.38Å; D6-K10 PolarHBondContact O-N 3.36Å
7E84.3Confident81.4Confident95 Ų95106.7 Ų106.744%0.44454%0.539SS..Hα-helixtrans-63.6-40.7174.2-71.7168.1144.600111.5T4 I9 K10 N11T4-E7 PolarHBondContact N-OE2 3.32Å; T4-E7 PolarHBondContact O-N 2.95Å; T4-E7 WeakPolarHBondContact OG1-CG 3.28Å; T4-E7 PolarHBondContact OG1-OE2 3.07Å; E7-I9 VanDerWaalsContact C-N 3.35Å; E7-I9 PolarHBondContact O-N 3.12Å; E7-K10 PolarHBondContact O-N 3.01Å; E7-N11 WeakPolarHBondContact O-CB 3.29Å; E7-N11 PolarHBondContact O-N 3.49Å
8K81.4Confident82.2Confident70 Ų70102.7 Ų102.730%0.30452%0.519SS..Hα-helixtrans-63.8-40.4176.1-67.8-173.7-174-177.60112.1E3 T4 M5 D6 Y12 W56E3-K8 HydrophobicContact CB-CG 3.96Å; E3-K8 WeakPolarHBondContact O-CE 3.21Å; T4-K8 PolarHBondContact O-N 3.4Å; T4-K8 VanDerWaalsContact O-N 3.15Å; M5-K8 HydrophobicContact CE-CD 3.69Å; M5-K8 PolarHBondContact O-N 3.45Å; D6-K8 VanDerWaalsContact C-N 3.33Å; D6-K8 PolarHBondContact O-N 3.15Å; K8-Y12 WeakPolarHBondContact O-CB 3.34Å; K8-Y12 PolarHBondContact O-N 3.49Å; K8-W56 HydrophobicContact CB-CE3 4.3Å; K8-W56 HydrophobicContact CB-CZ3 3.91Å
9I85Confident82.9Confident16 Ų16101.5 Ų101.58%0.08253%0.526CS..Hα-helixtrans-66.2-42.6175.8-69.6167.9000110.1M5 D6 E7 Y12 Q55 W56 R59M5-I9 VanDerWaalsContact O-CG1 3.29Å; M5-I9 WeakPolarHBondContact O-CG1 3.27Å; M5-I9 PolarHBondContact O-N 2.75Å; D6-I9 PolarHBondContact O-N 3.4Å; E7-I9 VanDerWaalsContact C-N 3.35Å; E7-I9 PolarHBondContact O-N 3.12Å; I9-Y12 WeakPolarHBondContact O-CB 3.32Å; I9-Y12 PolarHBondContact O-N 3.27Å; I9-Q55 HydrophobicContact CD1-CB 4.42Å; I9-W56 HydrophobicContact CG1-CE3 4.32Å; I9-R59 PolarHBondContact O-NH1 3.4Å
10K87.4Confident83.6Confident178 Ų178103.6 Ų103.677%0.77453%0.527SS*.Hα-helixtrans-64.1-40.9179.7-170.1177-179.3-179.30112.5D6 E7D6-K10 WeakPolarHBondContact O-CB 3.38Å; D6-K10 PolarHBondContact O-N 3.36Å; E7-K10 PolarHBondContact O-N 3.01Å
11N88.7Confident84.2Confident108 Ų10899.6 Ų99.658%0.57851%0.506SS*.THydrogen-bonded Turntrans-92.77.3-178.7-65.2-26.3000113.8E7 R13E7-N11 WeakPolarHBondContact O-CB 3.29Å; E7-N11 PolarHBondContact O-N 3.49Å; N11-R13 PolarHBondContact O-N 3.31Å
12Y90.1Very high86.7Confident38 Ų3891.8 Ų91.815%0.14947%0.473CS..  trans-63.1123.7-178.4-176.9-91.7000111.8K8 I9 T14 A15 W56 R59 V60 S63K8-Y12 WeakPolarHBondContact O-CB 3.34Å; K8-Y12 PolarHBondContact O-N 3.49Å; I9-Y12 WeakPolarHBondContact O-CB 3.32Å; I9-Y12 PolarHBondContact O-N 3.27Å; Y12-T14 WeakPolarHBondContact CE2-O 3.39Å; Y12-T14 VanDerWaalsContact CZ-C 3.43Å; Y12-A15 PolarHBondContact OH-N 3.23Å; Y12-A15 VanDerWaalsContact OH-N 3.1Å; Y12-W56 HydrophobicContact CD2-CE3 4.25Å; Y12-W56 AromaticContact CD2-CH2 3.89Å; Y12-W56 HydrophobicContact CD2-CH2 3.89Å; Y12-W56 AromaticContact CD2-CZ3 3.55Å; Y12-W56 HydrophobicContact CD2-CZ3 3.55Å; Y12-W56 HydrophobicContact CE2-CH2 4.16Å; Y12-W56 HydrophobicContact CE2-CZ3 4.16Å; Y12-R59 HydrophobicContact CD1-CB 4.07Å; Y12-R59 HydrophobicContact CD1-CG 4.46Å; Y12-R59 HydrophobicContact CD2-CB 4.44Å; Y12-R59 HydrophobicContact CE1-CB 3.74Å; Y12-R59 HydrophobicContact CE2-CB 4.12Å; Y12-R59 HydrophobicContact CG-CB 4.4Å; Y12-R59 PolarHBondContact OH-O 2.89Å; Y12-R59 VanDerWaalsContact OH-O 3.07Å; Y12-V60 HydrophobicContact CE2-CG2 4.18Å; Y12-S63 WeakPolarHBondContact OH-CB 3.41Å; Y12-S63 PolarHBondContact OH-OG 3.32Å
13R92.2Very high88.8Confident241 Ų24192.7 Ų92.791%0.90946%0.464SS*.  trans-109.5-48.2172.8-64.2-175.1178.6-162.6-0.5112.3N11N11-R13 PolarHBondContact O-N 3.31Å
14T94.2Very high90.3Very high94 Ų9494.6 Ų94.658%0.57748%0.483SS*.SBendtrans-153.1169.5179.5-169.80000109.2Y12Y12-T14 WeakPolarHBondContact CE2-O 3.39Å; Y12-T14 VanDerWaalsContact CZ-C 3.43Å
15A94.1Very high91.2Very high18 Ų1896.6 Ų96.615%0.14949%0.491CS..PPolyproline II helixtrans-60.8124176.200000109.6Y12 V60 L64Y12-A15 PolarHBondContact OH-N 3.23Å; Y12-A15 VanDerWaalsContact OH-N 3.1Å; A15-V60 HydrophobicContact CB-CG1 4.08Å; A15-L64 HydrophobicContact CB-CD1 4.18Å; A15-L64 HydrophobicContact CB-CD2 3.86Å; A15-L64 HydrophobicContact CB-CG 3.85Å
16P94.6Very high92.1Very high74 Ų7495.5 Ų95.548%0.48149%0.485SS..PPolyproline II helixtrans-71.5167.2177.431.4-35.3000110.8D18 W56P16-D18 PolarHBondContact O-N 3.23Å; P16-W56 HydrophobicContact CG-CH2 4.02Å; P16-W56 HydrophobicContact CG-CZ2 3.79Å
17F95Very high92.9Very high159 Ų15993.7 Ų93.770%0.69748%0.478SS*.PPolyproline II helixtrans-59.5128.9170.7175.6-102.3000110.9A19 P22F17-A19 HydrophobicContact CE1-CB 4.07Å; F17-P22 HydrophobicContact CE2-CB 4.43Å; F17-P22 HydrophobicContact CZ-CB 4.13Å
18D95.4Very high93.5Very high35 Ų3597.4 Ų97.419%0.18749%0.488CS..  trans-110.9113175.1-172.4-18.4000109.7P16 R20 F21P16-D18 PolarHBondContact O-N 3.23Å; D18-R20 PolarHBondContact O-N 3.2Å; D18-R20 VanDerWaalsContact O-N 3.11Å; D18-R20 VanDerWaalsContact OD1-CB 3.23Å; D18-R20 WeakPolarHBondContact OD1-CB 3.33Å; D18-R20 VanDerWaalsContact OD1-CG 3.28Å; D18-R20 WeakPolarHBondContact OD1-CG 3.14Å; D18-R20 PolarHBondContact OD1-N 2.96Å; D18-R20 IonicContact OD1-NE 3.15Å; D18-R20 PolarHBondContact OD1-NE 2.94Å; D18-R20 VanDerWaalsContact OD1-NE 3.15Å; D18-R20 IonicContact OD2-CZ 3.26Å; D18-R20 VanDerWaalsContact OD2-CZ 3.26Å; D18-R20 IonicContact OD2-NE 3Å; D18-R20 PolarHBondContact OD2-NE 3.08Å; D18-R20 IonicContact OD2-NH2 2.7Å; D18-R20 PolarHBondContact OD2-NH2 3.41Å; D18-F21 HydrophobicContact CB-CD2 4.15Å; D18-F21 CarbonylContact O-C 3.47Å; D18-F21 VanDerWaalsContact O-C 3.31Å; D18-F21 PolarHBondContact O-N 2.94Å; D18-F21 WeakPolarHBondContact OD2-CD2 3.42Å
19A95.9Very high94.3Very high79 Ų7994.3 Ų94.365%0.65347%0.474SS*.THydrogen-bonded Turntrans-63-16.5-179.700000113.7F17 F21 P22F17-A19 HydrophobicContact CE1-CB 4.07Å; A19-F21 VanDerWaalsContact C-N 3.26Å; A19-P22 WeakPolarHBondContact O-CD 3.41Å
20R95.9Very high94.8Very high144 Ų14493.7 Ų93.754%0.54347%0.471SS..THydrogen-bonded Turntrans-72.2-22.2172.7-57.2177.1-63167.72.7112.3D18 P22D18-R20 PolarHBondContact O-N 3.2Å; D18-R20 VanDerWaalsContact O-N 3.11Å; D18-R20 VanDerWaalsContact OD1-CB 3.23Å; D18-R20 WeakPolarHBondContact OD1-CB 3.33Å; D18-R20 VanDerWaalsContact OD1-CG 3.28Å; D18-R20 WeakPolarHBondContact OD1-CG 3.14Å; D18-R20 PolarHBondContact OD1-N 2.96Å; D18-R20 IonicContact OD1-NE 3.15Å; D18-R20 PolarHBondContact OD1-NE 2.94Å; D18-R20 VanDerWaalsContact OD1-NE 3.15Å; D18-R20 IonicContact OD2-CZ 3.26Å; D18-R20 VanDerWaalsContact OD2-CZ 3.26Å; D18-R20 IonicContact OD2-NE 3Å; D18-R20 PolarHBondContact OD2-NE 3.08Å; D18-R20 IonicContact OD2-NH2 2.7Å; D18-R20 PolarHBondContact OD2-NH2 3.41Å; R20-P22 VanDerWaalsContact C-CD 3.48Å
21F96.9Very high95.3Very high20 Ų2088.3 Ų88.39%0.08845%0.448CS..SBendtrans-129.564.1-178.4-50.3-69.8000110.7D18 A19 N23 Q26 R28 N29 Q32D18-F21 HydrophobicContact CB-CD2 4.15Å; D18-F21 CarbonylContact O-C 3.47Å; D18-F21 VanDerWaalsContact O-C 3.31Å; D18-F21 PolarHBondContact O-N 2.94Å; D18-F21 WeakPolarHBondContact OD2-CD2 3.42Å; A19-F21 VanDerWaalsContact C-N 3.26Å; F21-N23 VanDerWaalsContact C-N 3.32Å; F21-N23 PolarHBondContact O-N 2.93Å; F21-Q26 PolarHBondContact O-NE2 3.01Å; F21-R28 HydrophobicContact CD1-CB 4.19Å; F21-R28 HydrophobicContact CD1-CG 4.37Å; F21-R28 HydrophobicContact CE1-CB 3.94Å; F21-R28 HydrophobicContact CE1-CG 3.65Å; F21-R28 HydrophobicContact CZ-CG 4.44Å; F21-N29 HydrophobicContact CB-CB 3.86Å; F21-N29 HydrophobicContact CD1-CB 4.23Å; F21-N29 HydrophobicContact CD2-CB 3.5Å; F21-N29 VanDerWaalsContact CD2-CB 3.5Å; F21-N29 WeakPolarHBondContact CD2-OD1 3.38Å; F21-N29 HydrophobicContact CE2-CB 4.06Å; F21-N29 HydrophobicContact CG-CB 3.59Å; F21-Q32 HydrophobicContact CE2-CB 4.46Å; F21-Q32 HydrophobicContact CZ-CB 3.92Å; F21-Q32 HydrophobicContact CZ-CG 4.14Å
22P97.1Very high95.7Very high78 Ų7885.3 Ų85.351%0.50643%0.43SS..  trans-78.5-14.7-171.332.4-36.2000114F17 A19 R20F17-P22 HydrophobicContact CE2-CB 4.43Å; F17-P22 HydrophobicContact CZ-CB 4.13Å; A19-P22 WeakPolarHBondContact O-CD 3.41Å; R20-P22 VanDerWaalsContact C-CD 3.48Å
23N96.8Very high96Very high121 Ų12183.7 Ų83.765%0.64742%0.424SS*.SBendtrans-87.2164.3-173-62.4-35000112.1F21 N25 Q26F21-N23 VanDerWaalsContact C-N 3.32Å; F21-N23 PolarHBondContact O-N 2.93Å; N23-N25 PolarHBondContact O-N 3.49Å; N23-N25 VanDerWaalsContact O-N 3.15Å; N23-Q26 PolarHBondContact O-NE2 2.88Å
24T96.4Very high96.2Very high146 Ų14672.2 Ų72.290%0.89638%0.381SS*.SBendtrans-57-30.6177.1-46.30000113.4Q26T24-Q26 PolarHBondContact O-N 3.49Å; T24-Q26 VanDerWaalsContact O-N 3.15Å
25N96.9Very high96.4Very high116 Ų11668.1 Ų68.162%0.6236%0.356SS*.  trans-76.8101.8177.1-173.7-7.9000111.4N23 T27N23-N25 PolarHBondContact O-N 3.49Å; N23-N25 VanDerWaalsContact O-N 3.15Å; N25-T27 VanDerWaalsContact OD1-CB 3.31Å; N25-T27 WeakPolarHBondContact OD1-CB 3.41Å; N25-T27 PolarHBondContact OD1-N 2.95Å; N25-T27 PolarHBondContact OD1-OG1 3.48Å
26Q96.6Very high96.4Very high66 Ų6668.6 Ų68.631%0.30836%0.356SS..  trans-97.26.2-177.6-67.2-64.2-38.300114.4F21 N23 T24 R28 N29 C30F21-Q26 PolarHBondContact O-NE2 3.01Å; N23-Q26 PolarHBondContact O-NE2 2.88Å; T24-Q26 PolarHBondContact O-N 3.49Å; T24-Q26 VanDerWaalsContact O-N 3.15Å; Q26-R28 VanDerWaalsContact C-N 3.29Å; Q26-R28 PolarHBondContact O-N 3.42Å; Q26-N29 WeakPolarHBondContact O-CB 3.44Å; Q26-N29 PolarHBondContact O-N 3.27Å; Q26-N29 PolarHBondContact OE1-ND2 2.84Å; Q26-C30 PolarHBondContact O-N 3.06Å; Q26-C30 VanDerWaalsContact O-N 3.09Å
27T96.4Very high96.5Very high71 Ų7166.1 Ų66.144%0.43634%0.338SS..Hα-helixtrans-54.3-44.6-179-58.40000112.1N25 N29 C30 F31 W69N25-T27 VanDerWaalsContact OD1-CB 3.31Å; N25-T27 WeakPolarHBondContact OD1-CB 3.41Å; N25-T27 PolarHBondContact OD1-N 2.95Å; N25-T27 PolarHBondContact OD1-OG1 3.48Å; T27-N29 VanDerWaalsContact C-N 3.35Å; T27-C30 PolarHBondContact O-N 3.39Å; T27-F31 PolarHBondContact O-N 3.04Å; T27-W69 HydrophobicContact CG2-CH2 3.87Å; T27-W69 HydrophobicContact CG2-CZ3 3.84Å
28R96.4Very high96.6Very high174 Ų17460.2 Ų60.266%0.65731%0.312SS*.Hα-helixtrans-70.9-30.5-180-166.6179.2162.6-166.1-4.4112.5F21 Q26 Q32F21-R28 HydrophobicContact CD1-CB 4.19Å; F21-R28 HydrophobicContact CD1-CG 4.37Å; F21-R28 HydrophobicContact CE1-CB 3.94Å; F21-R28 HydrophobicContact CE1-CG 3.65Å; F21-R28 HydrophobicContact CZ-CG 4.44Å; Q26-R28 VanDerWaalsContact C-N 3.29Å; Q26-R28 PolarHBondContact O-N 3.42Å; R28-Q32 WeakPolarHBondContact O-CB 3.27Å; R28-Q32 PolarHBondContact O-N 2.89Å
29N97.3Very high96.6Very high5 Ų562.7 Ų62.73%0.02732%0.319CS..Hα-helixtrans-64.7-50.1175.4-169.70.6000110.6F21 Q26 T27 Q32 N33 L64F21-N29 HydrophobicContact CB-CB 3.86Å; F21-N29 HydrophobicContact CD1-CB 4.23Å; F21-N29 HydrophobicContact CD2-CB 3.5Å; F21-N29 VanDerWaalsContact CD2-CB 3.5Å; F21-N29 WeakPolarHBondContact CD2-OD1 3.38Å; F21-N29 HydrophobicContact CE2-CB 4.06Å; F21-N29 HydrophobicContact CG-CB 3.59Å; Q26-N29 WeakPolarHBondContact O-CB 3.44Å; Q26-N29 PolarHBondContact O-N 3.27Å; Q26-N29 PolarHBondContact OE1-ND2 2.84Å; T27-N29 VanDerWaalsContact C-N 3.35Å; N29-Q32 PolarHBondContact O-N 3.3Å; N29-N33 PolarHBondContact O-N 2.91Å; N29-N33 VanDerWaalsContact O-N 3.12Å; N29-N33 PolarHBondContact O-ND2 3.36Å; N29-N33 PolarHBondContact OD1-ND2 3.13Å; N29-L64 HydrophobicContact CB-CD1 4.27Å; N29-L64 WeakPolarHBondContact ND2-CD1 3.44Å
30C97.4Very high96.5Very high2 Ų260.2 Ų60.21%0.01430%0.296CS..Hα-helixtrans-54.9-55.1173.8155.60000111.4Q26 T27 Q32 N33 Y34 L64 C65Q26-C30 PolarHBondContact O-N 3.06Å; Q26-C30 VanDerWaalsContact O-N 3.09Å; T27-C30 PolarHBondContact O-N 3.39Å; C30-Q32 PolarHBondContact O-N 3.17Å; C30-N33 PolarHBondContact O-N 3.23Å; C30-Y34 PolarHBondContact O-N 3.38Å; C30-L64 HydrophobicContact CB-CB 4.2Å; C30-C65 VanDerWaalsContact C-SG 3.56Å; C30-C65 WeakPolarHBondContact CA-SG 3.48Å; C30-C65 HydrophobicContact CB-CB 4.16Å; C30-C65 WeakPolarHBondContact CB-SG 3.15Å; C30-C65 PolarHBondContact O-SG 3.45Å; C30-C65 WeakPolarHBondContact SG-CA 3.34Å; C30-C65 WeakPolarHBondContact SG-CB 3.29Å; C30-C65 CovalentContact SG-SG 2.02Å; C30-C65 PolarHBondContact SG-SG 3.46Å
31F96.7Very high96.5Very high66 Ų6655.1 Ų55.129%0.28928%0.28SS..Hα-helixtrans-63.1-39.7-176.1-174.5-115.6000112.9T27 Y34 L35 W73 F82T27-F31 PolarHBondContact O-N 3.04Å; F31-Y34 PolarHBondContact O-N 2.03Å; F31-L35 HydrophobicContact CD1-CD1 3.97Å; F31-L35 HydrophobicContact CE1-CD1 3.53Å; F31-L35 HydrophobicContact CE1-CG 4.23Å; F31-L35 HydrophobicContact CE2-CG 4.43Å; F31-L35 HydrophobicContact CZ-CD1 3.86Å; F31-L35 HydrophobicContact CZ-CD2 4.24Å; F31-L35 HydrophobicContact CZ-CG 4.17Å; F31-L35 WeakPolarHBondContact O-CG 3.38Å; F31-L35 PolarHBondContact O-N 2.95Å; F31-W73 HydrophobicContact CB-CH2 4.38Å; F31-W73 AromaticContact CD2-CH2 3.87Å; F31-W73 HydrophobicContact CD2-CH2 3.87Å; F31-W73 AromaticContact CD2-CZ2 3.84Å; F31-W73 HydrophobicContact CD2-CZ2 3.84Å; F31-W73 HydrophobicContact CD2-CZ3 4.31Å; F31-W73 HydrophobicContact CE2-CZ2 4.45Å; F31-F82 HydrophobicContact CE2-CE2 4.35Å; F31-F82 AromaticContact CE2-CZ 3.85Å; F31-F82 HydrophobicContact CE2-CZ 3.85Å; F31-F82 HydrophobicContact CZ-CZ 4.25Å
32Q96.5Very high96.3Very high44 Ų4459.6 Ų59.621%0.20630%0.299CS..Hα-helixtrans-64.3-45.3178.5-17563.756.800111.7F21 R28 N29 C30 Y34 L35 D36F21-Q32 HydrophobicContact CE2-CB 4.46Å; F21-Q32 HydrophobicContact CZ-CB 3.92Å; F21-Q32 HydrophobicContact CZ-CG 4.14Å; R28-Q32 WeakPolarHBondContact O-CB 3.27Å; R28-Q32 PolarHBondContact O-N 2.89Å; N29-Q32 PolarHBondContact O-N 3.3Å; C30-Q32 PolarHBondContact O-N 3.17Å; Q32-Y34 VanDerWaalsContact C-N 3.32Å; Q32-Y34 PolarHBondContact O-N 2.85Å; Q32-L35 PolarHBondContact O-N 3.4Å; Q32-D36 VanDerWaalsContact NE2-CG 3.34Å; Q32-D36 PolarHBondContact NE2-OD1 2.92Å; Q32-D36 PolarHBondContact NE2-OD2 3.42Å; Q32-D36 WeakPolarHBondContact O-CB 3.35Å; Q32-D36 PolarHBondContact O-N 3.5Å
33N97.1Very high96.1Very high4 Ų458.1 Ų58.12%0.02129%0.294CS..Hα-helixtrans-66.7-34178.7-77.3-83000112.5N29 C30 D36 F37 V60N29-N33 PolarHBondContact O-N 2.91Å; N29-N33 VanDerWaalsContact O-N 3.12Å; N29-N33 PolarHBondContact O-ND2 3.36Å; N29-N33 PolarHBondContact OD1-ND2 3.13Å; C30-N33 PolarHBondContact O-N 3.23Å; N33-D36 PolarHBondContact O-N 3.37Å; N33-F37 PolarHBondContact O-N 2.7Å; N33-V60 HydrophobicContact CB-CB 4.49Å; N33-V60 HydrophobicContact CB-CG1 4.1Å; N33-V60 VanDerWaalsContact CG-CG1 3.43Å; N33-V60 WeakPolarHBondContact OD1-CG1 3.4Å
34Y97.2Very high96Very high0 Ų053.9 Ų53.90%027%0.271CS..Hα-helixtrans-61-50.6171.9-178.6-95.2000110.8C30 F31 Q32 D36 F37 H38 Y61 V70 W73 D74 I77 F82C30-Y34 PolarHBondContact O-N 3.38Å; F31-Y34 PolarHBondContact O-N 2.03Å; Q32-Y34 VanDerWaalsContact C-N 3.32Å; Q32-Y34 PolarHBondContact O-N 2.85Å; Y34-D36 PolarHBondContact O-N 3.45Å; Y34-F37 PolarHBondContact O-N 2.79Å; Y34-H38 AromaticContact CE1-CD2 3.76Å; Y34-H38 AromaticContact CE1-NE2 3.79Å; Y34-H38 AromaticContact CE2-NE2 3.42Å; Y34-H38 WeakPolarHBondContact CE2-NE2 3.17Å; Y34-H38 AromaticContact CZ-CD2 3.75Å; Y34-H38 AromaticContact CZ-NE2 3.27Å; Y34-H38 VanDerWaalsContact CZ-NE2 3.27Å; Y34-H38 PolarHBondContact O-CD2 3.15Å; Y34-H38 VanDerWaalsContact O-CD2 3.22Å; Y34-H38 PolarHBondContact O-N 3.1Å; Y34-H38 PolarHBondContact OH-NE2 3.27Å; Y34-Y61 HydrophobicContact CD2-CD2 4.02Å; Y34-Y61 HydrophobicContact CD2-CE2 4.03Å; Y34-Y61 HydrophobicContact CD2-CG 4.33Å; Y34-V70 HydrophobicContact CE2-CG1 4.22Å; Y34-W73 AromaticContact CD1-CE3 3.91Å; Y34-W73 HydrophobicContact CD1-CE3 3.91Å; Y34-W73 HydrophobicContact CD2-CE3 4.02Å; Y34-W73 HydrophobicContact CE1-CB 3.71Å; Y34-W73 HydrophobicContact CE1-CD2 4.45Å; Y34-W73 HydrophobicContact CE1-CE3 4.13Å; Y34-W73 HydrophobicContact CE1-CG 4.34Å; Y34-W73 HydrophobicContact CE2-CB 4.31Å; Y34-W73 HydrophobicContact CE2-CE3 4.22Å; Y34-W73 AromaticContact CG-CE3 3.84Å; Y34-W73 HydrophobicContact CG-CE3 3.84Å; Y34-W73 HydrophobicContact CG-CZ3 4.2Å; Y34-W73 VanDerWaalsContact OH-CB 3.29Å; Y34-W73 WeakPolarHBondContact OH-CB 3.28Å; Y34-W73 PolarHBondContact OH-O 3.27Å; Y34-D74 PolarHBondContact OH-N 3.35Å; Y34-D74 PolarHBondContact OH-OD1 3.03Å; Y34-I77 HydrophobicContact CE1-CD1 3.92Å; Y34-I77 WeakPolarHBondContact OH-CD1 3.29Å; Y34-F82 HydrophobicContact CD1-CZ 4.26Å; Y34-F82 HydrophobicContact CE1-CE2 4.16Å; Y34-F82 AromaticContact CE1-CZ 3.91Å; Y34-F82 HydrophobicContact CE1-CZ 3.91Å
35L96.9Very high95.7Very high8 Ų850.6 Ų50.64%0.04225%0.254CS..Hα-helixtrans-59.8-44176.2-69.1178.1000112.6F31 Q32 F37 H38 R39 F82 I86F31-L35 HydrophobicContact CD1-CD1 3.97Å; F31-L35 HydrophobicContact CE1-CD1 3.53Å; F31-L35 HydrophobicContact CE1-CG 4.23Å; F31-L35 HydrophobicContact CE2-CG 4.43Å; F31-L35 HydrophobicContact CZ-CD1 3.86Å; F31-L35 HydrophobicContact CZ-CD2 4.24Å; F31-L35 HydrophobicContact CZ-CG 4.17Å; F31-L35 WeakPolarHBondContact O-CG 3.38Å; F31-L35 PolarHBondContact O-N 2.95Å; Q32-L35 PolarHBondContact O-N 3.4Å; L35-F37 VanDerWaalsContact C-N 3.3Å; L35-F37 PolarHBondContact O-N 3.07Å; L35-H38 PolarHBondContact O-N 3.06Å; L35-R39 WeakPolarHBondContact O-CB 3.46Å; L35-R39 VanDerWaalsContact O-CG 3.23Å; L35-R39 WeakPolarHBondContact O-CG 2.98Å; L35-R39 PolarHBondContact O-N 3.48Å; L35-F82 HydrophobicContact CD2-CE1 3.56Å; L35-F82 HydrophobicContact CD2-CZ 3.82Å; L35-I86 HydrophobicContact CD2-CG1 4.17Å
36D96.1Very high95.5Very high28 Ų2850.7 Ų50.715%0.1526%0.259CS..Hα-helixtrans-64.6-35.8-177.6-69.7-19.3000111.5Q32 N33 Y34 R39 C40 Y57Q32-D36 VanDerWaalsContact NE2-CG 3.34Å; Q32-D36 PolarHBondContact NE2-OD1 2.92Å; Q32-D36 PolarHBondContact NE2-OD2 3.42Å; Q32-D36 WeakPolarHBondContact O-CB 3.35Å; Q32-D36 PolarHBondContact O-N 3.5Å; N33-D36 PolarHBondContact O-N 3.37Å; Y34-D36 PolarHBondContact O-N 3.45Å; D36-R39 IonicContact OD1-NH1 3.88Å; D36-C40 WeakPolarHBondContact O-CB 3.04Å; D36-C40 PolarHBondContact O-N 2.89Å; D36-Y57 HydrophobicContact CB-CD1 3.88Å; D36-Y57 HydrophobicContact CB-CD2 4.32Å; D36-Y57 HydrophobicContact CB-CE1 4.04Å; D36-Y57 HydrophobicContact CB-CE2 4.47Å; D36-Y57 HydrophobicContact CB-CG 4.03Å
37F96.4Very high95.3Very high23 Ų2354.6 Ų54.610%0.10128%0.275CS..Hα-helixtrans-58.8-53.7172171.7-108.9000111.8N33 Y34 L35 R39 C40 N41 C54 Q58 Y61N33-F37 PolarHBondContact O-N 2.7Å; Y34-F37 PolarHBondContact O-N 2.79Å; L35-F37 VanDerWaalsContact C-N 3.3Å; L35-F37 PolarHBondContact O-N 3.07Å; F37-R39 PolarHBondContact O-N 3.17Å; F37-C40 PolarHBondContact O-N 3.04Å; F37-N41 WeakPolarHBondContact CD2-ND2 3.01Å; F37-N41 WeakPolarHBondContact CE1-ND2 3.03Å; F37-N41 WeakPolarHBondContact CE2-ND2 3.44Å; F37-N41 WeakPolarHBondContact CZ-ND2 3.26Å; F37-N41 WeakPolarHBondContact O-CB 3.48Å; F37-N41 PolarHBondContact O-N 3.49Å; F37-N41 PolarHBondContact O-ND2 3.33Å; F37-C54 HydrophobicContact CD2-CB 4.47Å; F37-Q58 HydrophobicContact CD2-CB 3.65Å; F37-Q58 HydrophobicContact CD2-CG 4.08Å; F37-Q58 HydrophobicContact CE1-CG 4.49Å; F37-Q58 HydrophobicContact CE2-CB 3.57Å; F37-Q58 HydrophobicContact CE2-CG 3.66Å; F37-Q58 HydrophobicContact CG-CB 4.44Å; F37-Q58 HydrophobicContact CZ-CB 4.31Å; F37-Q58 HydrophobicContact CZ-CG 3.88Å; F37-Y61 HydrophobicContact CB-CD1 4.01Å; F37-Y61 HydrophobicContact CB-CE1 3.8Å; F37-Y61 AromaticContact CD1-CE1 3.67Å; F37-Y61 HydrophobicContact CD1-CE1 3.67Å; F37-Y61 HydrophobicContact CD2-CE1 4.33Å; F37-Y61 HydrophobicContact CE1-CE1 4.29Å; F37-Y61 HydrophobicContact CG-CD1 4.38Å; F37-Y61 AromaticContact CG-CE1 3.68Å; F37-Y61 HydrophobicContact CG-CE1 3.68Å
38H95.8Very high95Very high35 Ų3554.6 Ų54.616%0.16229%0.288CS..Hα-helixtrans-67.4-38.7-177.8-70-83000112.4Y34 L35 K42 I86Y34-H38 AromaticContact CE1-CD2 3.76Å; Y34-H38 AromaticContact CE1-NE2 3.79Å; Y34-H38 AromaticContact CE2-NE2 3.42Å; Y34-H38 WeakPolarHBondContact CE2-NE2 3.17Å; Y34-H38 AromaticContact CZ-CD2 3.75Å; Y34-H38 AromaticContact CZ-NE2 3.27Å; Y34-H38 VanDerWaalsContact CZ-NE2 3.27Å; Y34-H38 PolarHBondContact O-CD2 3.15Å; Y34-H38 VanDerWaalsContact O-CD2 3.22Å; Y34-H38 PolarHBondContact O-N 3.1Å; Y34-H38 PolarHBondContact OH-NE2 3.27Å; L35-H38 PolarHBondContact O-N 3.06Å; H38-K42 VanDerWaalsContact O-CB 3.26Å; H38-K42 WeakPolarHBondContact O-CB 3.08Å; H38-K42 PolarHBondContact O-N 3.31Å; H38-I86 HydrophobicContact CB-CD1 3.96Å; H38-I86 HydrophobicContact CB-CG1 4.18Å; H38-I86 HydrophobicContact CB-CG2 3.55Å
39R95.5Very high94.8Very high87 Ų8751.5 Ų51.533%0.32828%0.282SS..Hα-helixtrans-63.4-45.7175-73.8168.5178.9173-0.1111.9L35 D36 F37 K42 A43 K85 I86L35-R39 WeakPolarHBondContact O-CB 3.46Å; L35-R39 VanDerWaalsContact O-CG 3.23Å; L35-R39 WeakPolarHBondContact O-CG 2.98Å; L35-R39 PolarHBondContact O-N 3.48Å; D36-R39 IonicContact OD1-NH1 3.88Å; F37-R39 PolarHBondContact O-N 3.17Å; R39-K42 PolarHBondContact O-N 3.29Å; R39-A43 VanDerWaalsContact O-CB 3.27Å; R39-A43 WeakPolarHBondContact O-CB 3.42Å; R39-A43 PolarHBondContact O-N 3.15Å; R39-K85 VanDerWaalsContact CZ-O 3.25Å; R39-K85 PolarHBondContact NE-O 2.93Å; R39-K85 PolarHBondContact NH2-O 3.15Å; R39-I86 WeakPolarHBondContact CG-OXT 3.31Å
40C95.4Very high94.4Very high26 Ų2656.8 Ų56.818%0.17631%0.31CS..Hα-helixtrans-60.9-50.4178.3-178.50000110.3D36 F37 K42 A43 L44 C54 Y57D36-C40 WeakPolarHBondContact O-CB 3.04Å; D36-C40 PolarHBondContact O-N 2.89Å; F37-C40 PolarHBondContact O-N 3.04Å; C40-K42 PolarHBondContact O-N 3.42Å; C40-A43 PolarHBondContact O-N 3.34Å; C40-L44 WeakPolarHBondContact O-CG 3.32Å; C40-L44 PolarHBondContact O-N 2.7Å; C40-C54 HydrophobicContact CB-CB 3.76Å; C40-C54 WeakPolarHBondContact CB-SG 3.37Å; C40-C54 WeakPolarHBondContact SG-CA 3.23Å; C40-C54 WeakPolarHBondContact SG-CB 3.23Å; C40-C54 CovalentContact SG-SG 2.03Å; C40-C54 PolarHBondContact SG-SG 3.47Å; C40-Y57 HydrophobicContact CB-CD2 4.32Å; C40-Y57 HydrophobicContact CB-CE2 4.4Å
41N94.2Very high94Very high37 Ų3759.2 Ų59.220%0.19832%0.324CS..Hα-helixtrans-59.2-46.6177.7-76-23000111.7F37 A43 L44 S45 C54F37-N41 WeakPolarHBondContact CD2-ND2 3.01Å; F37-N41 WeakPolarHBondContact CE1-ND2 3.03Å; F37-N41 WeakPolarHBondContact CE2-ND2 3.44Å; F37-N41 WeakPolarHBondContact CZ-ND2 3.26Å; F37-N41 WeakPolarHBondContact O-CB 3.48Å; F37-N41 PolarHBondContact O-N 3.49Å; F37-N41 PolarHBondContact O-ND2 3.33Å; N41-A43 PolarHBondContact O-N 3.22Å; N41-L44 PolarHBondContact O-N 2.89Å; N41-S45 WeakPolarHBondContact O-CB 3.38Å; N41-S45 PolarHBondContact O-N 2.86Å; N41-S45 PolarHBondContact O-OG 2.84Å; N41-C54 PolarHBondContact N-SG 2.82Å; N41-C54 VanDerWaalsContact N-SG 3.45Å; N41-C54 WeakPolarHBondContact OD1-CB 3.25Å
42K93.7Very high93.6Very high114 Ų11457.1 Ų57.150%0.49632%0.319SS..Hα-helixtrans-59.7-48.4177.8-176.8175.2176.1178.10111.2H38 R39 C40 L44 T46 I86H38-K42 VanDerWaalsContact O-CB 3.26Å; H38-K42 WeakPolarHBondContact O-CB 3.08Å; H38-K42 PolarHBondContact O-N 3.31Å; R39-K42 PolarHBondContact O-N 3.29Å; C40-K42 PolarHBondContact O-N 3.42Å; K42-L44 PolarHBondContact O-N 3.25Å; K42-T46 WeakPolarHBondContact O-CB 3.35Å; K42-T46 PolarHBondContact O-N 3.26Å; K42-T46 PolarHBondContact O-OG1 3.41Å; K42-I86 HydrophobicContact CD-CG2 4.26Å; K42-I86 PolarHBondContact NZ-O 3Å
43A93.7Very high93.1Very high48 Ų4858 Ų5840%0.39733%0.329SS..Hα-helixtrans-63.6-42.4-178.300000113R39 C40 N41 K47R39-A43 VanDerWaalsContact O-CB 3.27Å; R39-A43 WeakPolarHBondContact O-CB 3.42Å; R39-A43 PolarHBondContact O-N 3.15Å; C40-A43 PolarHBondContact O-N 3.34Å; N41-A43 PolarHBondContact O-N 3.22Å; A43-K47 VanDerWaalsContact O-CG 3.32Å; A43-K47 WeakPolarHBondContact O-CG 3.4Å; A43-K47 PolarHBondContact O-N 2.8Å
44L92.7Very high92.8Very high31 Ų3157.8 Ų57.816%0.16233%0.328CS..Hα-helixtrans-76.4-41.1-179.3-64.4-177.9000111.9C40 N41 K42 T46 K47 G48 Q49 D50 V51 C54C40-L44 WeakPolarHBondContact O-CG 3.32Å; C40-L44 PolarHBondContact O-N 2.7Å; N41-L44 PolarHBondContact O-N 2.89Å; K42-L44 PolarHBondContact O-N 3.25Å; L44-T46 PolarHBondContact O-N 2.82Å; L44-K47 CarbonylContact O-C 3.31Å; L44-K47 PolarHBondContact O-N 3.09Å; L44-K47 VanDerWaalsContact O-N 3.07Å; L44-G48 PolarHBondContact O-N 3.12Å; L44-Q49 HydrophobicContact CB-CB 4.37Å; L44-Q49 HydrophobicContact CD2-CB 4.09Å; L44-Q49 PolarHBondContact O-N 3.49Å; L44-D50 VanDerWaalsContact CD1-O 3.27Å; L44-D50 WeakPolarHBondContact CD1-O 3.11Å; L44-V51 HydrophobicContact CB-CG1 4.05Å; L44-C54 WeakPolarHBondContact CD1-SG 3.5Å
45S91.9Very high92.5Very high77 Ų7761.8 Ų61.854%0.53835%0.347SS..Hα-helixtrans-62.2-40.6175.4-660000112.2N41 K47 G48N41-S45 WeakPolarHBondContact O-CB 3.38Å; N41-S45 PolarHBondContact O-N 2.86Å; N41-S45 PolarHBondContact O-OG 2.84Å; S45-K47 PolarHBondContact O-N 3.07Å; S45-G48 PolarHBondContact O-N 3.4Å; S45-G48 VanDerWaalsContact O-N 3.12Å
46T92.3Very high92.3Very high119 Ų11964 Ų6473%0.7335%0.354SS*.Hα-helixtrans-63.2-30.3174.5-610000112.5K42 L44K42-T46 WeakPolarHBondContact O-CB 3.35Å; K42-T46 PolarHBondContact O-N 3.26Å; K42-T46 PolarHBondContact O-OG1 3.41Å; L44-T46 PolarHBondContact O-N 2.82Å
47K92.6Very high92.3Very high148 Ų14866.2 Ų66.264%0.64336%0.361SS*.THydrogen-bonded Turntrans-87.9-3.3177-67.6177-178.4-176.50113.5A43 L44 S45 Q49A43-K47 VanDerWaalsContact O-CG 3.32Å; A43-K47 WeakPolarHBondContact O-CG 3.4Å; A43-K47 PolarHBondContact O-N 2.8Å; L44-K47 CarbonylContact O-C 3.31Å; L44-K47 PolarHBondContact O-N 3.09Å; L44-K47 VanDerWaalsContact O-N 3.07Å; S45-K47 PolarHBondContact O-N 3.07Å; K47-Q49 HydrophobicContact CB-CB 4.48Å; K47-Q49 HydrophobicContact CB-CG 3.93Å; K47-Q49 PolarHBondContact O-N 3.35Å
48G90.4Very high92.2Very high70 Ų7067.9 Ų67.972%0.72237%0.369SS*.THydrogen-bonded Turntrans62.527.3-173.300000113.6L44 S45L44-G48 PolarHBondContact O-N 3.12Å; S45-G48 PolarHBondContact O-N 3.4Å; S45-G48 VanDerWaalsContact O-N 3.12Å
49Q92.1Very high92.1Very high110 Ų11070.6 Ų70.651%0.51438%0.378SS..  trans-95.9161.5-179.6-69.4-176.7-37.600111.4L44 K47 V51L44-Q49 HydrophobicContact CB-CB 4.37Å; L44-Q49 HydrophobicContact CD2-CB 4.09Å; L44-Q49 PolarHBondContact O-N 3.49Å; K47-Q49 HydrophobicContact CB-CB 4.48Å; K47-Q49 HydrophobicContact CB-CG 3.93Å; K47-Q49 PolarHBondContact O-N 3.35Å; Q49-V51 PolarHBondContact O-N 3.08Å
50D88.4Confident92.2Very high116 Ų11666.8 Ų66.862%0.6237%0.365SS*.  trans-63.2128.5177.2-176.513.3000111.6L44 A52 P53L44-D50 VanDerWaalsContact CD1-O 3.27Å; L44-D50 WeakPolarHBondContact CD1-O 3.11Å; D50-A52 WeakPolarHBondContact OD1-CB 3.42Å; D50-A52 PolarHBondContact OD1-N 3.38Å; D50-A52 VanDerWaalsContact OD2-CB 3.28Å; D50-A52 WeakPolarHBondContact OD2-CB 3.42Å; D50-P53 WeakPolarHBondContact O-CD 3.42Å
51V89.6Confident92.2Very high52 Ų5266 Ų6632%0.31536%0.358SS..  trans-87.7-2.7179.5-63.30000113.3L44 Q49 P53 C54L44-V51 HydrophobicContact CB-CG1 4.05Å; Q49-V51 PolarHBondContact O-N 3.08Å; V51-P53 VanDerWaalsContact C-N 3.27Å; V51-C54 WeakPolarHBondContact O-CB 3.28Å; V51-C54 PolarHBondContact O-N 2.81Å
52A86.8Confident92.3Very high22 Ų2270.4 Ų70.418%0.18238%0.375CS..G310 helixtrans-48.4-40177.100000114.2D50 C54 Q55D50-A52 WeakPolarHBondContact OD1-CB 3.42Å; D50-A52 PolarHBondContact OD1-N 3.38Å; D50-A52 VanDerWaalsContact OD2-CB 3.28Å; D50-A52 WeakPolarHBondContact OD2-CB 3.42Å; A52-C54 PolarHBondContact O-N 3.3Å; A52-Q55 VanDerWaalsContact O-CB 3.28Å; A52-Q55 WeakPolarHBondContact O-CB 3.32Å; A52-Q55 WeakPolarHBondContact O-CG 3.4Å; A52-Q55 PolarHBondContact O-N 3.29Å; A52-Q55 VanDerWaalsContact O-N 3.08Å
53P86Confident92.4Very high63 Ų6367.7 Ų67.741%0.40937%0.371SS..G310 helixtrans-62.1-27.8177.7-23.835.5000113.9D50 V51 Q55D50-P53 WeakPolarHBondContact O-CD 3.42Å; V51-P53 VanDerWaalsContact C-N 3.27Å; P53-Q55 PolarHBondContact O-N 3.19Å
54C91.8Very high92.5Very high0 Ų068.2 Ų68.20%037%0.366CS..G310 helixtrans-72.1-19.1179.2-51.40000112.6F37 C40 N41 L44 V51 A52 W56 Y57 Q58F37-C54 HydrophobicContact CD2-CB 4.47Å; C40-C54 HydrophobicContact CB-CB 3.76Å; C40-C54 WeakPolarHBondContact CB-SG 3.37Å; C40-C54 WeakPolarHBondContact SG-CA 3.23Å; C40-C54 WeakPolarHBondContact SG-CB 3.23Å; C40-C54 CovalentContact SG-SG 2.03Å; C40-C54 PolarHBondContact SG-SG 3.47Å; N41-C54 PolarHBondContact N-SG 2.82Å; N41-C54 VanDerWaalsContact N-SG 3.45Å; N41-C54 WeakPolarHBondContact OD1-CB 3.25Å; L44-C54 WeakPolarHBondContact CD1-SG 3.5Å; V51-C54 WeakPolarHBondContact O-CB 3.28Å; V51-C54 PolarHBondContact O-N 2.81Å; A52-C54 PolarHBondContact O-N 3.3Å; C54-W56 PolarHBondContact O-N 3.07Å; C54-Y57 PolarHBondContact O-N 2.95Å; C54-Y57 VanDerWaalsContact O-N 3.13Å; C54-Q58 PolarHBondContact O-N 3.45Å
55Q91.4Very high92.7Very high84 Ų8467.2 Ų67.239%0.39336%0.362SS..Hα-helixtrans-61.6-25.2179.7-64.9-1759.300112.7I9 A52 P53 Q58 R59I9-Q55 HydrophobicContact CD1-CB 4.42Å; A52-Q55 VanDerWaalsContact O-CB 3.28Å; A52-Q55 WeakPolarHBondContact O-CB 3.32Å; A52-Q55 WeakPolarHBondContact O-CG 3.4Å; A52-Q55 PolarHBondContact O-N 3.29Å; A52-Q55 VanDerWaalsContact O-N 3.08Å; P53-Q55 PolarHBondContact O-N 3.19Å; Q55-Q58 WeakPolarHBondContact O-CB 3.43Å; Q55-Q58 PolarHBondContact O-N 3.33Å; Q55-R59 WeakPolarHBondContact O-CG 3.11Å; Q55-R59 PolarHBondContact O-N 2.98Å
56W92.6Very high92.9Very high53 Ų5366.6 Ų66.620%0.20136%0.356CS..Hα-helixtrans-56.4-52.9172.6174.8-100.5000111.5K8 I9 Y12 P16 C54 Q58 R59 V60K8-W56 HydrophobicContact CB-CE3 4.3Å; K8-W56 HydrophobicContact CB-CZ3 3.91Å; I9-W56 HydrophobicContact CG1-CE3 4.32Å; Y12-W56 HydrophobicContact CD2-CE3 4.25Å; Y12-W56 AromaticContact CD2-CH2 3.89Å; Y12-W56 HydrophobicContact CD2-CH2 3.89Å; Y12-W56 AromaticContact CD2-CZ3 3.55Å; Y12-W56 HydrophobicContact CD2-CZ3 3.55Å; Y12-W56 HydrophobicContact CE2-CH2 4.16Å; Y12-W56 HydrophobicContact CE2-CZ3 4.16Å; P16-W56 HydrophobicContact CG-CH2 4.02Å; P16-W56 HydrophobicContact CG-CZ2 3.79Å; C54-W56 PolarHBondContact O-N 3.07Å; W56-Q58 PolarHBondContact O-N 2.8Å; W56-R59 PolarHBondContact O-N 2.81Å; W56-R59 VanDerWaalsContact O-N 3.15Å; W56-V60 HydrophobicContact CD2-CG2 4.32Å; W56-V60 HydrophobicContact CZ2-CG2 3.99Å; W56-V60 WeakPolarHBondContact O-CG2 3.5Å; W56-V60 PolarHBondContact O-N 3.45Å
57Y94.8Very high93.1Very high75 Ų7569 Ų6929%0.29436%0.361SS..Hα-helixtrans-60.5-35.8178.4-59.7-62.1000111.4D36 C40 C54 R59 V60 Y61D36-Y57 HydrophobicContact CB-CD1 3.88Å; D36-Y57 HydrophobicContact CB-CD2 4.32Å; D36-Y57 HydrophobicContact CB-CE1 4.04Å; D36-Y57 HydrophobicContact CB-CE2 4.47Å; D36-Y57 HydrophobicContact CB-CG 4.03Å; C40-Y57 HydrophobicContact CB-CD2 4.32Å; C40-Y57 HydrophobicContact CB-CE2 4.4Å; C54-Y57 PolarHBondContact O-N 2.95Å; C54-Y57 VanDerWaalsContact O-N 3.13Å; Y57-R59 PolarHBondContact O-N 3.12Å; Y57-V60 PolarHBondContact O-N 3.32Å; Y57-Y61 WeakPolarHBondContact O-CD1 3.44Å; Y57-Y61 PolarHBondContact O-N 2.83Å
58Q94.7Very high93.3Very high59 Ų5964.6 Ų64.628%0.27636%0.357SS..Hα-helixtrans-59.6-46.9176.3-156.6-173.918.400112.9F37 C54 Q55 W56 Y61 K62F37-Q58 HydrophobicContact CD2-CB 3.65Å; F37-Q58 HydrophobicContact CD2-CG 4.08Å; F37-Q58 HydrophobicContact CE1-CG 4.49Å; F37-Q58 HydrophobicContact CE2-CB 3.57Å; F37-Q58 HydrophobicContact CE2-CG 3.66Å; F37-Q58 HydrophobicContact CG-CB 4.44Å; F37-Q58 HydrophobicContact CZ-CB 4.31Å; F37-Q58 HydrophobicContact CZ-CG 3.88Å; C54-Q58 PolarHBondContact O-N 3.45Å; Q55-Q58 WeakPolarHBondContact O-CB 3.43Å; Q55-Q58 PolarHBondContact O-N 3.33Å; W56-Q58 PolarHBondContact O-N 2.8Å; Q58-Y61 VanDerWaalsContact CA-CE1 3.41Å; Q58-Y61 HydrophobicContact CB-CE1 4.13Å; Q58-Y61 HydrophobicContact CG-CE1 3.78Å; Q58-K62 HydrophobicContact CG-CD 4.36Å; Q58-K62 WeakPolarHBondContact O-CB 3.43Å; Q58-K62 VanDerWaalsContact O-CG 3.25Å; Q58-K62 WeakPolarHBondContact O-CG 3.34Å; Q58-K62 PolarHBondContact O-N 3.46Å
59R94.7Very high93.6Very high92 Ų9266.4 Ų66.435%0.34734%0.342SS..Hα-helixtrans-64.9-42.6178-68.7-175.2179.6-146.15.9111.2I9 Y12 Q55 W56 Y57 K62 S63I9-R59 PolarHBondContact O-NH1 3.4Å; Y12-R59 HydrophobicContact CD1-CB 4.07Å; Y12-R59 HydrophobicContact CD1-CG 4.46Å; Y12-R59 HydrophobicContact CD2-CB 4.44Å; Y12-R59 HydrophobicContact CE1-CB 3.74Å; Y12-R59 HydrophobicContact CE2-CB 4.12Å; Y12-R59 HydrophobicContact CG-CB 4.4Å; Y12-R59 PolarHBondContact OH-O 2.89Å; Y12-R59 VanDerWaalsContact OH-O 3.07Å; Q55-R59 WeakPolarHBondContact O-CG 3.11Å; Q55-R59 PolarHBondContact O-N 2.98Å; W56-R59 PolarHBondContact O-N 2.81Å; W56-R59 VanDerWaalsContact O-N 3.15Å; Y57-R59 PolarHBondContact O-N 3.12Å; R59-K62 PolarHBondContact O-N 3.07Å; R59-S63 PolarHBondContact O-N 2.94Å; R59-S63 PolarHBondContact O-OG 3.4Å; R59-S63 VanDerWaalsContact O-OG 3.09Å
60V95.9Very high93.8Very high7 Ų762 Ų624%0.04232%0.323CS..Hα-helixtrans-65.1-51.9-178.4175.70000111.8Y12 A15 N33 W56 Y57 K62 S63 L64Y12-V60 HydrophobicContact CE2-CG2 4.18Å; A15-V60 HydrophobicContact CB-CG1 4.08Å; N33-V60 HydrophobicContact CB-CB 4.49Å; N33-V60 HydrophobicContact CB-CG1 4.1Å; N33-V60 VanDerWaalsContact CG-CG1 3.43Å; N33-V60 WeakPolarHBondContact OD1-CG1 3.4Å; W56-V60 HydrophobicContact CD2-CG2 4.32Å; W56-V60 HydrophobicContact CZ2-CG2 3.99Å; W56-V60 WeakPolarHBondContact O-CG2 3.5Å; W56-V60 PolarHBondContact O-N 3.45Å; Y57-V60 PolarHBondContact O-N 3.32Å; V60-K62 VanDerWaalsContact C-N 3.3Å; V60-K62 PolarHBondContact O-N 3.38Å; V60-S63 PolarHBondContact O-N 3.39Å; V60-S63 VanDerWaalsContact O-N 3.12Å; V60-L64 HydrophobicContact CG1-CD1 3.73Å; V60-L64 HydrophobicContact CG1-CG 4.44Å; V60-L64 WeakPolarHBondContact O-CG 3.18Å; V60-L64 PolarHBondContact O-N 3.05Å; V60-L64 VanDerWaalsContact O-N 3.08Å
61Y96.3Very high94.2Very high8 Ų859.4 Ų59.43%0.03132%0.318CS..Hα-helixtrans-66.5-33.9-17983.2-111.4000111.4Y34 F37 Y57 Q58 S63 L64 C65 V70Y34-Y61 HydrophobicContact CD2-CD2 4.02Å; Y34-Y61 HydrophobicContact CD2-CE2 4.03Å; Y34-Y61 HydrophobicContact CD2-CG 4.33Å; F37-Y61 HydrophobicContact CB-CD1 4.01Å; F37-Y61 HydrophobicContact CB-CE1 3.8Å; F37-Y61 AromaticContact CD1-CE1 3.67Å; F37-Y61 HydrophobicContact CD1-CE1 3.67Å; F37-Y61 HydrophobicContact CD2-CE1 4.33Å; F37-Y61 HydrophobicContact CE1-CE1 4.29Å; F37-Y61 HydrophobicContact CG-CD1 4.38Å; F37-Y61 AromaticContact CG-CE1 3.68Å; F37-Y61 HydrophobicContact CG-CE1 3.68Å; Y57-Y61 WeakPolarHBondContact O-CD1 3.44Å; Y57-Y61 PolarHBondContact O-N 2.83Å; Q58-Y61 VanDerWaalsContact CA-CE1 3.41Å; Q58-Y61 HydrophobicContact CB-CE1 4.13Å; Q58-Y61 HydrophobicContact CG-CE1 3.78Å; Y61-S63 VanDerWaalsContact C-N 3.28Å; Y61-S63 PolarHBondContact O-N 3.04Å; Y61-L64 PolarHBondContact O-N 3.27Å; Y61-C65 WeakPolarHBondContact O-CB 3.47Å; Y61-C65 PolarHBondContact O-N 3.47Å; Y61-C65 PolarHBondContact O-SG 3.28Å; Y61-V70 HydrophobicContact CD2-CG2 4.18Å; Y61-V70 HydrophobicContact CE2-CG1 4.03Å; Y61-V70 HydrophobicContact CE2-CG2 4.3Å
62K95.6Very high94.6Very high130 Ų13062.9 Ų62.957%0.56533%0.328SS*.Hα-helixtrans-65.4-29.6174.2-76.3-177.2175.1-178.50113.2Q58 R59 V60Q58-K62 HydrophobicContact CG-CD 4.36Å; Q58-K62 WeakPolarHBondContact O-CB 3.43Å; Q58-K62 VanDerWaalsContact O-CG 3.25Å; Q58-K62 WeakPolarHBondContact O-CG 3.34Å; Q58-K62 PolarHBondContact O-N 3.46Å; R59-K62 PolarHBondContact O-N 3.07Å; V60-K62 VanDerWaalsContact C-N 3.3Å; V60-K62 PolarHBondContact O-N 3.38Å
63S95.8Very high95.1Very high58 Ų5863.5 Ų63.541%0.40633%0.326SS..Hα-helixtrans-79.3-28.1175.3-640000113.5Y12 R59 V60 Y61Y12-S63 WeakPolarHBondContact OH-CB 3.41Å; Y12-S63 PolarHBondContact OH-OG 3.32Å; R59-S63 PolarHBondContact O-N 2.94Å; R59-S63 PolarHBondContact O-OG 3.4Å; R59-S63 VanDerWaalsContact O-OG 3.09Å; V60-S63 PolarHBondContact O-N 3.39Å; V60-S63 VanDerWaalsContact O-N 3.12Å; Y61-S63 VanDerWaalsContact C-N 3.28Å; Y61-S63 PolarHBondContact O-N 3.04Å
64L95.8Very high95.6Very high58 Ų5863.1 Ų63.130%0.30432%0.321SS..Hα-helixtrans-99.7-36.1-174.4-65.8175.8000113.9A15 N29 C30 V60 Y61A15-L64 HydrophobicContact CB-CD1 4.18Å; A15-L64 HydrophobicContact CB-CD2 3.86Å; A15-L64 HydrophobicContact CB-CG 3.85Å; N29-L64 HydrophobicContact CB-CD1 4.27Å; N29-L64 WeakPolarHBondContact ND2-CD1 3.44Å; C30-L64 HydrophobicContact CB-CB 4.2Å; V60-L64 HydrophobicContact CG1-CD1 3.73Å; V60-L64 HydrophobicContact CG1-CG 4.44Å; V60-L64 WeakPolarHBondContact O-CG 3.18Å; V60-L64 PolarHBondContact O-N 3.05Å; V60-L64 VanDerWaalsContact O-N 3.08Å; Y61-L64 PolarHBondContact O-N 3.27Å
65C97Very high95.8Very high10 Ų1068.6 Ų68.67%0.06835%0.346CS..SBendtrans-85.7137.5-170.2-63.50000112.1C30 Y61 M67 V70C30-C65 VanDerWaalsContact C-SG 3.56Å; C30-C65 WeakPolarHBondContact CA-SG 3.48Å; C30-C65 HydrophobicContact CB-CB 4.16Å; C30-C65 WeakPolarHBondContact CB-SG 3.15Å; C30-C65 PolarHBondContact O-SG 3.45Å; C30-C65 WeakPolarHBondContact SG-CA 3.34Å; C30-C65 WeakPolarHBondContact SG-CB 3.29Å; C30-C65 CovalentContact SG-SG 2.02Å; C30-C65 PolarHBondContact SG-SG 3.46Å; Y61-C65 WeakPolarHBondContact O-CB 3.47Å; Y61-C65 PolarHBondContact O-N 3.47Å; Y61-C65 PolarHBondContact O-SG 3.28Å; C65-M67 PolarHBondContact O-N 3.12Å; C65-V70 HydrophobicContact CB-CG2 3.56Å
66P97.3Very high96.1Very high65 Ų6566.7 Ų66.742%0.42234%0.337SS..  trans-58.5134.8165.9-21.833.2000110.9G68 W69 V70P66-G68 PolarHBondContact O-N 3.08Å; P66-W69 HydrophobicContact CB-CD2 4.46Å; P66-W69 HydrophobicContact CB-CG 4.2Å; P66-W69 HydrophobicContact CG-CD2 4Å; P66-W69 HydrophobicContact CG-CE3 4.22Å; P66-W69 HydrophobicContact CG-CG 4.26Å; P66-W69 WeakPolarHBondContact O-CB 3.42Å; P66-W69 PolarHBondContact O-N 2.85Å; P66-V70 PolarHBondContact O-N 2.91Å
67M95.3Very high96.2Very high170 Ų17066.7 Ų66.784%0.83734%0.341SS*.Hα-helixtrans-57.2-36.3-178.9-68.6-170.6-73.600112.9C65 W69 V70 A71C65-M67 PolarHBondContact O-N 3.12Å; M67-W69 VanDerWaalsContact C-N 3.27Å; M67-W69 PolarHBondContact O-N 3.37Å; M67-V70 PolarHBondContact O-N 3.4Å; M67-A71 WeakPolarHBondContact O-CB 3.29Å; M67-A71 PolarHBondContact O-N 2.93Å
68G97.4Very high96.2Very high54 Ų5471 Ų7156%0.55736%0.363SS*.Hα-helixtrans-65.7-26.8177.300000114.1P66 K72P66-G68 PolarHBondContact O-N 3.08Å; G68-K72 WeakPolarHBondContact O-CB 3.04Å; G68-K72 PolarHBondContact O-N 2.02Å
69W96.5Very high96.3Very high108 Ų10873.2 Ų73.241%0.40938%0.378SS..Hα-helixtrans-74.8-45.8173.5-70.88.4000110.9T27 P66 M67 K72 W73T27-W69 HydrophobicContact CG2-CH2 3.87Å; T27-W69 HydrophobicContact CG2-CZ3 3.84Å; P66-W69 HydrophobicContact CB-CD2 4.46Å; P66-W69 HydrophobicContact CB-CG 4.2Å; P66-W69 HydrophobicContact CG-CD2 4Å; P66-W69 HydrophobicContact CG-CE3 4.22Å; P66-W69 HydrophobicContact CG-CG 4.26Å; P66-W69 WeakPolarHBondContact O-CB 3.42Å; P66-W69 PolarHBondContact O-N 2.85Å; M67-W69 VanDerWaalsContact C-N 3.27Å; M67-W69 PolarHBondContact O-N 3.37Å; W69-K72 PolarHBondContact O-N 2.94Å; W69-W73 HydrophobicContact CB-CD2 4.48Å; W69-W73 HydrophobicContact CB-CE3 4.44Å; W69-W73 HydrophobicContact CB-CH2 4.02Å; W69-W73 HydrophobicContact CB-CZ2 4.04Å; W69-W73 HydrophobicContact CB-CZ3 4.21Å; W69-W73 HydrophobicContact CD2-CH2 4.39Å; W69-W73 HydrophobicContact CD2-CZ2 4.34Å; W69-W73 AromaticContact CE3-CH2 3.69Å; W69-W73 HydrophobicContact CE3-CH2 3.69Å; W69-W73 AromaticContact CE3-CZ2 3.93Å; W69-W73 HydrophobicContact CE3-CZ2 3.93Å; W69-W73 HydrophobicContact CG-CZ2 4.45Å; W69-W73 VanDerWaalsContact O-CD2 3.28Å; W69-W73 PolarHBondContact O-N 3.11Å
70V97Very high96.2Very high19 Ų1972.2 Ų72.212%0.11540%0.396CS..Hα-helixtrans-59.2-51.5178.4177.10000110.4Y34 Y61 C65 P66 M67 K72 W73 D74Y34-V70 HydrophobicContact CE2-CG1 4.22Å; Y61-V70 HydrophobicContact CD2-CG2 4.18Å; Y61-V70 HydrophobicContact CE2-CG1 4.03Å; Y61-V70 HydrophobicContact CE2-CG2 4.3Å; C65-V70 HydrophobicContact CB-CG2 3.56Å; P66-V70 PolarHBondContact O-N 2.91Å; M67-V70 PolarHBondContact O-N 3.4Å; V70-K72 VanDerWaalsContact C-N 3.29Å; V70-K72 PolarHBondContact O-N 3.48Å; V70-W73 PolarHBondContact O-N 3.19Å; V70-D74 WeakPolarHBondContact CG1-OD2 3.45Å; V70-D74 WeakPolarHBondContact O-CB 3.46Å; V70-D74 VanDerWaalsContact O-CG 3.31Å; V70-D74 PolarHBondContact O-N 2.93Å
71A97.1Very high96.3Very high60 Ų6075.5 Ų75.550%0.49642%0.419SS..Hα-helixtrans-57.5-41.6179.200000112.6M67 D74 E75M67-A71 WeakPolarHBondContact O-CB 3.29Å; M67-A71 PolarHBondContact O-N 2.93Å; A71-D74 PolarHBondContact O-N 2.98Å; A71-E75 PolarHBondContact O-N 3.44Å
72K97.1Very high96.2Very high125 Ų12576.3 Ų76.354%0.54342%0.423SS..Hα-helixtrans-65.8-41.1176.5-177177.9-179.4177.60112.1G68 W69 V70 Q76G68-K72 WeakPolarHBondContact O-CB 3.04Å; G68-K72 PolarHBondContact O-N 2.02Å; W69-K72 PolarHBondContact O-N 2.94Å; V70-K72 VanDerWaalsContact C-N 3.29Å; V70-K72 PolarHBondContact O-N 3.48Å; K72-Q76 WeakPolarHBondContact O-CB 2.99Å; K72-Q76 VanDerWaalsContact O-CG 3.23Å; K72-Q76 WeakPolarHBondContact O-CG 3.4Å; K72-Q76 PolarHBondContact O-N 3.29Å
73W97.2Very high96Very high35 Ų3575.5 Ų75.513%0.13343%0.43CS..Hα-helixtrans-69.9-36.8177.8-63.4-29.2000111.9F31 Y34 W69 V70 Q76 I77 F82F31-W73 HydrophobicContact CB-CH2 4.38Å; F31-W73 AromaticContact CD2-CH2 3.87Å; F31-W73 HydrophobicContact CD2-CH2 3.87Å; F31-W73 AromaticContact CD2-CZ2 3.84Å; F31-W73 HydrophobicContact CD2-CZ2 3.84Å; F31-W73 HydrophobicContact CD2-CZ3 4.31Å; F31-W73 HydrophobicContact CE2-CZ2 4.45Å; Y34-W73 AromaticContact CD1-CE3 3.91Å; Y34-W73 HydrophobicContact CD1-CE3 3.91Å; Y34-W73 HydrophobicContact CD2-CE3 4.02Å; Y34-W73 HydrophobicContact CE1-CB 3.71Å; Y34-W73 HydrophobicContact CE1-CD2 4.45Å; Y34-W73 HydrophobicContact CE1-CE3 4.13Å; Y34-W73 HydrophobicContact CE1-CG 4.34Å; Y34-W73 HydrophobicContact CE2-CB 4.31Å; Y34-W73 HydrophobicContact CE2-CE3 4.22Å; Y34-W73 AromaticContact CG-CE3 3.84Å; Y34-W73 HydrophobicContact CG-CE3 3.84Å; Y34-W73 HydrophobicContact CG-CZ3 4.2Å; Y34-W73 VanDerWaalsContact OH-CB 3.29Å; Y34-W73 WeakPolarHBondContact OH-CB 3.28Å; Y34-W73 PolarHBondContact OH-O 3.27Å; W69-W73 HydrophobicContact CB-CD2 4.48Å; W69-W73 HydrophobicContact CB-CE3 4.44Å; W69-W73 HydrophobicContact CB-CH2 4.02Å; W69-W73 HydrophobicContact CB-CZ2 4.04Å; W69-W73 HydrophobicContact CB-CZ3 4.21Å; W69-W73 HydrophobicContact CD2-CH2 4.39Å; W69-W73 HydrophobicContact CD2-CZ2 4.34Å; W69-W73 AromaticContact CE3-CH2 3.69Å; W69-W73 HydrophobicContact CE3-CH2 3.69Å; W69-W73 AromaticContact CE3-CZ2 3.93Å; W69-W73 HydrophobicContact CE3-CZ2 3.93Å; W69-W73 HydrophobicContact CG-CZ2 4.45Å; W69-W73 VanDerWaalsContact O-CD2 3.28Å; W69-W73 PolarHBondContact O-N 3.11Å; V70-W73 PolarHBondContact O-N 3.19Å; W73-Q76 PolarHBondContact O-N 2.93Å; W73-I77 WeakPolarHBondContact O-CG1 3.5Å; W73-I77 PolarHBondContact O-N 3.32Å; W73-F82 HydrophobicContact CB-CD2 4.27Å; W73-F82 HydrophobicContact CB-CE2 3.84Å; W73-F82 AromaticContact CD1-CE2 3.82Å; W73-F82 AromaticContact CG-CE2 3.83Å; W73-F82 HydrophobicContact CG-CE2 3.83Å
74D95.9Very high95.8Very high55 Ų5573.5 Ų73.529%0.29442%0.419SS..Hα-helixtrans-61-49.3174.9-71.7-31.5000109.9Y34 V70 A71 Q76 I77 E78Y34-D74 PolarHBondContact OH-N 3.35Å; Y34-D74 PolarHBondContact OH-OD1 3.03Å; V70-D74 WeakPolarHBondContact CG1-OD2 3.45Å; V70-D74 WeakPolarHBondContact O-CB 3.46Å; V70-D74 VanDerWaalsContact O-CG 3.31Å; V70-D74 PolarHBondContact O-N 2.93Å; A71-D74 PolarHBondContact O-N 2.98Å; D74-Q76 VanDerWaalsContact C-N 3.3Å; D74-Q76 PolarHBondContact O-N 3.19Å; D74-I77 WeakPolarHBondContact O-CB 3.46Å; D74-I77 PolarHBondContact O-N 3.27Å; D74-I77 VanDerWaalsContact O-N 3.07Å; D74-E78 PolarHBondContact O-N 3.35Å
75E97.4Very high95.6Very high115 Ų11579.2 Ų79.254%0.53744%0.442SS..Hα-helixtrans-57.3-42.3174.5-177.7-172.3177.100111.9A71 I77 E78 N79A71-E75 PolarHBondContact O-N 3.44Å; E75-I77 VanDerWaalsContact C-N 3.32Å; E75-I77 PolarHBondContact O-N 3.18Å; E75-E78 PolarHBondContact O-N 3.05Å; E75-N79 VanDerWaalsContact O-CB 3.29Å; E75-N79 WeakPolarHBondContact O-CB 3.23Å; E75-N79 VanDerWaalsContact O-CG 3.27Å; E75-N79 PolarHBondContact O-N 3.06Å; E75-N79 PolarHBondContact O-ND2 3.07Å
76Q96.4Very high95.3Very high44 Ų4481.5 Ų81.521%0.20645%0.453CS..Hα-helixtrans-65-35.1177-75.5176.2-10.700112.8K72 W73 D74 G80 S81 F82K72-Q76 WeakPolarHBondContact O-CB 2.99Å; K72-Q76 VanDerWaalsContact O-CG 3.23Å; K72-Q76 WeakPolarHBondContact O-CG 3.4Å; K72-Q76 PolarHBondContact O-N 3.29Å; W73-Q76 PolarHBondContact O-N 2.93Å; D74-Q76 VanDerWaalsContact C-N 3.3Å; D74-Q76 PolarHBondContact O-N 3.19Å; Q76-G80 PolarHBondContact O-N 2.79Å; Q76-G80 VanDerWaalsContact O-N 3.12Å; Q76-S81 PolarHBondContact O-N 2.8Å; Q76-S81 PolarHBondContact O-OG 3.09Å; Q76-F82 HydrophobicContact CB-CB 3.95Å; Q76-F82 HydrophobicContact CB-CD2 4.08Å; Q76-F82 PolarHBondContact O-N 3.49Å; Q76-F82 VanDerWaalsContact O-N 3.08Å
77I95.4Very high95.2Very high53 Ų5382.4 Ų82.427%0.27245%0.454SS..Hα-helixtrans-67.6-47.5175.7-72.5174.4000109.9Y34 W73 D74 E75 N79 G80 F82 I86Y34-I77 HydrophobicContact CE1-CD1 3.92Å; Y34-I77 WeakPolarHBondContact OH-CD1 3.29Å; W73-I77 WeakPolarHBondContact O-CG1 3.5Å; W73-I77 PolarHBondContact O-N 3.32Å; D74-I77 WeakPolarHBondContact O-CB 3.46Å; D74-I77 PolarHBondContact O-N 3.27Å; D74-I77 VanDerWaalsContact O-N 3.07Å; E75-I77 VanDerWaalsContact C-N 3.32Å; E75-I77 PolarHBondContact O-N 3.18Å; I77-N79 VanDerWaalsContact C-N 3.28Å; I77-N79 PolarHBondContact O-N 3.04Å; I77-G80 PolarHBondContact O-N 3.25Å; I77-F82 HydrophobicContact CG1-CB 3.82Å; I77-F82 HydrophobicContact CG1-CD1 4.09Å; I77-F82 HydrophobicContact CG1-CD2 4.24Å; I77-F82 HydrophobicContact CG1-CG 3.8Å; I77-I86 HydrophobicContact CD1-CD1 3.42Å; I77-I86 VanDerWaalsContact CD1-CD1 3.42Å; I77-I86 HydrophobicContact CG1-CD1 3.79Å
78E94.7Very high95.2Very high165 Ų16577.7 Ų77.777%0.77143%0.434SS*.Hα-helixtrans-59.8-40.5177.9-69.9179.3177.900111.6D74 E75 G80D74-E78 PolarHBondContact O-N 3.35Å; E75-E78 PolarHBondContact O-N 3.05Å; E78-G80 VanDerWaalsContact C-N 3.26Å; E78-G80 PolarHBondContact O-N 3.26Å
79N95.8Very high95.1Very high107 Ų10779.1 Ų79.157%0.57243%0.427SS*.THydrogen-bonded Turntrans-78.8-2.3176.9-70-27000114.1E75 I77 S81E75-N79 VanDerWaalsContact O-CB 3.29Å; E75-N79 WeakPolarHBondContact O-CB 3.23Å; E75-N79 VanDerWaalsContact O-CG 3.27Å; E75-N79 PolarHBondContact O-N 3.06Å; E75-N79 PolarHBondContact O-ND2 3.07Å; I77-N79 VanDerWaalsContact C-N 3.28Å; I77-N79 PolarHBondContact O-N 3.04Å; N79-S81 PolarHBondContact O-N 3.41Å
80G94.1Very high95Very high71 Ų7177.4 Ų77.473%0.73243%0.428SS*.THydrogen-bonded Turntrans64.417.8-177.300000114.9Q76 I77 E78Q76-G80 PolarHBondContact O-N 2.79Å; Q76-G80 VanDerWaalsContact O-N 3.12Å; I77-G80 PolarHBondContact O-N 3.25Å; E78-G80 VanDerWaalsContact C-N 3.26Å; E78-G80 PolarHBondContact O-N 3.26Å
81S96.2Very high94.9Very high75 Ų7581 Ų8152%0.52445%0.448SS..  trans-105.15.3-177.460.50000113.6Q76 N79Q76-S81 PolarHBondContact O-N 2.8Å; Q76-S81 PolarHBondContact O-OG 3.09Å; N79-S81 PolarHBondContact O-N 3.41Å
82F95.8Very high94.7Very high26 Ų2682.4 Ų82.411%0.11445%0.445CS..  trans-66.4126-179.9-174.7-110.5000111.8F31 Y34 L35 W73 Q76 I77 G84 I86F31-F82 HydrophobicContact CE2-CE2 4.35Å; F31-F82 AromaticContact CE2-CZ 3.85Å; F31-F82 HydrophobicContact CE2-CZ 3.85Å; F31-F82 HydrophobicContact CZ-CZ 4.25Å; Y34-F82 HydrophobicContact CD1-CZ 4.26Å; Y34-F82 HydrophobicContact CE1-CE2 4.16Å; Y34-F82 AromaticContact CE1-CZ 3.91Å; Y34-F82 HydrophobicContact CE1-CZ 3.91Å; L35-F82 HydrophobicContact CD2-CE1 3.56Å; L35-F82 HydrophobicContact CD2-CZ 3.82Å; W73-F82 HydrophobicContact CB-CD2 4.27Å; W73-F82 HydrophobicContact CB-CE2 3.84Å; W73-F82 AromaticContact CD1-CE2 3.82Å; W73-F82 AromaticContact CG-CE2 3.83Å; W73-F82 HydrophobicContact CG-CE2 3.83Å; Q76-F82 HydrophobicContact CB-CB 3.95Å; Q76-F82 HydrophobicContact CB-CD2 4.08Å; Q76-F82 PolarHBondContact O-N 3.49Å; Q76-F82 VanDerWaalsContact O-N 3.08Å; I77-F82 HydrophobicContact CG1-CB 3.82Å; I77-F82 HydrophobicContact CG1-CD1 4.09Å; I77-F82 HydrophobicContact CG1-CD2 4.24Å; I77-F82 HydrophobicContact CG1-CG 3.8Å; F82-G84 VanDerWaalsContact C-N 3.32Å; F82-G84 VanDerWaalsContact CD1-O 3.29Å; F82-G84 WeakPolarHBondContact CD1-O 3.38Å; F82-G84 PolarHBondContact O-N 3.15Å; F82-I86 HydrophobicContact CD1-CD1 3.6Å; F82-I86 HydrophobicContact CD1-CG1 4.13Å; F82-I86 HydrophobicContact CE1-CD1 3.65Å; F82-I86 HydrophobicContact CE1-CG1 3.96Å
83P91.4Very high94.6Very high112 Ų11279.4 Ų79.473%0.72744%0.438SS*.  trans-77.9-14.2-174.630.3-36.4000113.9
84G91.4Very high94.4Very high17 Ų1782.8 Ų82.818%0.17546%0.461CS..SBendtrans-82.6141-179.100000112.7F82 I86F82-G84 VanDerWaalsContact C-N 3.32Å; F82-G84 VanDerWaalsContact CD1-O 3.29Å; F82-G84 WeakPolarHBondContact CD1-O 3.38Å; F82-G84 PolarHBondContact O-N 3.15Å; G84-I86 PolarHBondContact O-N 2.95Å
85K91.9Very high94.2Very high178 Ų17885.1 Ų85.177%0.77448%0.475SS*.  trans-74.9110.7176-172.9177.8-178.51790110.8R39R39-K85 VanDerWaalsContact CZ-O 3.25Å; R39-K85 PolarHBondContact NE-O 2.93Å; R39-K85 PolarHBondContact NH2-O 3.15Å
86I90.2Very high93.9Very high58 Ų5882.4 Ų82.430%0.29747%0.47SS..  trans-105.50175.7-64174.4000111L35 H38 R39 K42 I77 F82 G84L35-I86 HydrophobicContact CD2-CG1 4.17Å; H38-I86 HydrophobicContact CB-CD1 3.96Å; H38-I86 HydrophobicContact CB-CG1 4.18Å; H38-I86 HydrophobicContact CB-CG2 3.55Å; R39-I86 WeakPolarHBondContact CG-OXT 3.31Å; K42-I86 HydrophobicContact CD-CG2 4.26Å; K42-I86 PolarHBondContact NZ-O 3Å; I77-I86 HydrophobicContact CD1-CD1 3.42Å; I77-I86 VanDerWaalsContact CD1-CD1 3.42Å; I77-I86 HydrophobicContact CG1-CD1 3.79Å; F82-I86 HydrophobicContact CD1-CD1 3.6Å; F82-I86 HydrophobicContact CD1-CG1 4.13Å; F82-I86 HydrophobicContact CE1-CD1 3.65Å; F82-I86 HydrophobicContact CE1-CG1 3.96Å; G84-I86 PolarHBondContact O-N 2.95Å

Retrieved 86 of 86 residues in 146.5 ms (Link to these results)

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